#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz n THR 6 N 0.00 0.00 0.00 1.47 -1.04 -1.26 -5.04 114.28 108.41 3hkz n THR 6 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3hkz n THR 6 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3hkz n THR 6 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hkz n ILE 7 N 0.00 0.00 0.22 12.58 2.08 -1.26 -4.07 119.36 128.92 3hkz n ILE 7 Ca 0.00 0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.43 3hkz n ILE 7 Cb 0.00 -0.66 0.21 0.00 -0.75 0.00 0.00 39.64 38.45 3hkz n ILE 7 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hkz h ASP 8 N 0.00 0.00 0.00 4.38 3.45 -1.99 -3.25 116.42 119.01 3hkz h ASP 8 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3hkz h ASP 8 Cb 0.76 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.53 3hkz h ASP 8 CO 0.00 0.02 0.00 1.21 -1.57 0.00 0.00 179.24 178.90 3hkz n GLU 9 N -3.11 0.00 -0.32 3.56 2.13 -1.26 -2.68 120.64 118.96 3hkz n GLU 9 Ca 0.04 0.36 0.29 0.00 0.66 0.00 0.00 57.16 58.50 3hkz n GLU 9 Cb 0.52 -1.25 0.55 0.00 0.27 0.00 0.00 31.44 31.53 3hkz n GLU 9 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 3hkz h ARG 10 N 0.00 0.11 0.23 5.31 0.11 -1.71 -2.02 114.38 116.40 3hkz h ARG 10 Ca 0.00 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.07 3hkz h ARG 10 Cb 0.00 -0.02 -0.02 0.00 1.11 0.00 0.00 29.97 31.03 3hkz h ARG 10 CO 0.00 0.07 -0.35 2.35 0.10 0.00 0.00 179.97 182.14 3hkz h TRP 11 N 0.11 -0.98 -0.99 4.08 -0.00 -1.58 -3.00 115.95 113.60 3hkz h TRP 11 Ca 0.81 0.02 0.34 0.00 -0.00 0.00 0.00 58.89 60.05 3hkz h TRP 11 Cb 2.04 0.40 -0.18 0.00 -0.00 0.00 0.00 29.16 31.41 3hkz h TRP 11 CO -0.02 -0.43 0.28 0.00 -0.00 0.00 0.00 178.44 178.27 3hkz h ARG 12 N -0.61 0.03 0.90 2.65 2.47 -1.14 0.19 114.38 118.88 3hkz h ARG 12 Ca -0.03 -0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.65 3hkz h ARG 12 Cb 0.55 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 28.88 3hkz h ARG 12 CO -0.10 0.02 -0.44 0.28 0.56 0.00 0.00 179.97 180.29 3hkz h VAL 13 N 0.03 0.11 -0.80 2.04 2.07 -1.62 0.36 116.25 118.44 3hkz h VAL 13 Ca 0.71 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.20 3hkz h VAL 13 Cb 1.69 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3hkz h VAL 13 CO -0.83 0.00 0.37 -0.29 0.02 0.00 0.00 177.57 176.84 3hkz h ILE 14 N -1.21 1.25 -0.65 4.57 6.09 -0.97 0.70 117.51 127.28 3hkz h ILE 14 Ca -0.12 -0.72 -0.07 0.00 -1.37 0.00 0.00 64.86 62.58 3hkz h ILE 14 Cb 0.93 0.25 -0.03 0.00 0.47 0.00 0.00 36.82 38.44 3hkz h ILE 14 CO 0.20 0.31 0.14 -0.08 -3.07 0.00 0.00 178.15 175.65 3hkz h GLU 15 N 1.14 1.04 -0.38 2.19 4.81 -0.65 -0.85 114.58 121.88 3hkz h GLU 15 Ca 0.27 -0.25 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3hkz h GLU 15 Cb 0.13 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3hkz h GLU 15 CO -0.03 0.93 -0.11 0.00 -0.73 0.00 0.00 179.01 179.07 3hkz h ALA 16 N 1.16 1.10 -0.83 2.92 0.00 0.33 -1.93 119.26 122.01 3hkz h ALA 16 Ca 0.21 -0.30 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hkz h ALA 16 Cb 0.37 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 3hkz h ALA 16 CO 0.00 0.56 0.51 -0.92 0.00 0.00 0.00 179.25 179.40 3hkz h TYR 17 N 0.60 0.94 0.00 0.00 3.20 0.16 -1.42 116.97 120.46 3hkz h TYR 17 Ca 0.11 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.98 3hkz h TYR 17 Cb 0.55 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.51 3hkz h TYR 17 CO 0.02 0.47 -0.12 0.74 -1.64 0.00 0.00 178.16 177.64 3hkz h PHE 18 N 0.93 0.00 -0.06 -3.82 0.04 -0.83 0.54 116.94 113.74 3hkz h PHE 18 Ca 0.37 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 61.03 3hkz h PHE 18 Cb 0.18 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.31 3hkz h PHE 18 CO -0.04 0.12 -0.45 -0.22 -0.60 0.00 0.00 178.31 177.12 3hkz h LYS 19 N 0.00 0.13 0.00 1.51 3.64 -0.77 -2.85 116.57 118.23 3hkz h LYS 19 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3hkz h LYS 19 Cb 0.86 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3hkz h LYS 19 CO 0.02 0.56 -0.44 1.03 -2.27 0.00 0.00 179.45 178.35 3hkz h SER 20 N 0.11 0.00 0.00 4.20 0.87 -0.16 -3.48 113.55 115.09 3hkz h SER 20 Ca 0.01 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 3hkz h SER 20 Cb 0.84 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 3hkz h SER 20 CO 0.06 0.03 0.00 0.29 -0.53 0.00 0.00 176.83 176.68 3hkz n LYS 21 N -2.55 0.00 0.00 2.24 4.76 0.06 -5.06 118.16 117.61 3hkz n LYS 21 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 3hkz n LYS 21 Cb 0.49 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.68 3hkz n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkz n GLY 22 N 0.00 2.28 0.00 0.72 0.00 -1.24 -4.62 105.19 102.32 3hkz n GLY 22 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.42 3hkz n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 23 N 0.00 0.00 -3.71 0.99 7.99 -1.26 -4.35 117.00 116.66 3hkz n LEU 23 Ca 0.00 0.00 -0.27 0.00 -0.01 0.00 0.00 56.01 55.73 3hkz n LEU 23 Cb 0.00 0.00 -0.17 0.00 -0.11 0.00 0.00 43.42 43.14 3hkz n LEU 23 CO 0.00 0.00 -0.36 -0.69 -1.51 0.00 0.00 177.39 174.83 3hkz s VAL 24 N 0.00 0.39 0.00 4.08 1.01 -1.26 -4.92 120.40 119.70 3hkz s VAL 24 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.54 3hkz s VAL 24 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3hkz s VAL 24 CO 0.00 -0.20 0.26 0.54 0.00 0.00 0.00 175.10 175.70 3hkz n ARG 25 N 5.10 0.00 -0.13 2.72 1.74 -1.26 -4.76 116.66 120.07 3hkz n ARG 25 Ca -0.08 -0.22 -0.01 0.00 -0.77 0.00 0.00 57.85 56.76 3hkz n ARG 25 Cb 0.48 -0.20 0.24 0.00 -1.02 0.00 0.00 32.46 31.95 3hkz n ARG 25 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3hkz h GLN 26 N 0.00 0.82 0.00 5.56 1.08 -1.89 -2.19 115.11 118.50 3hkz h GLN 26 Ca 0.00 -0.12 0.00 0.00 -1.45 0.00 0.00 58.65 57.08 3hkz h GLN 26 Cb 1.02 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.30 3hkz h GLN 26 CO 0.00 0.67 -0.39 0.72 -0.95 0.00 0.00 178.83 178.88 3hkz n HIS 27 N -4.33 0.60 -0.35 2.96 8.25 -1.26 -4.42 115.22 116.66 3hkz n HIS 27 Ca 0.05 0.26 -0.11 0.00 -0.26 0.00 0.00 57.72 57.66 3hkz n HIS 27 Cb 0.16 -0.59 -0.10 0.00 1.12 0.00 0.00 29.99 30.58 3hkz n HIS 27 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3hkz h LEU 28 N -0.71 -2.04 -5.77 2.41 4.07 -1.86 0.69 115.31 112.10 3hkz h LEU 28 Ca 0.00 0.30 -0.59 0.00 0.08 0.00 0.00 57.88 57.67 3hkz h LEU 28 Cb 0.39 0.89 0.02 0.00 1.08 0.00 0.00 40.66 43.04 3hkz h LEU 28 CO 0.00 -0.26 2.91 0.47 -1.08 0.00 0.00 178.44 180.48 3hkz n ASP 29 N -5.20 4.80 0.00 -0.43 8.00 -0.82 0.15 116.55 123.05 3hkz n ASP 29 Ca 0.01 -2.59 0.00 0.00 0.71 0.00 0.00 54.79 52.91 3hkz n ASP 29 Cb 0.27 -1.33 0.00 0.00 -0.02 0.00 0.00 41.12 40.04 3hkz n ASP 29 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 3hkz n SER 30 N 5.43 0.00 0.00 -2.24 2.88 -0.85 -4.79 113.62 114.05 3hkz n SER 30 Ca 0.55 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.91 3hkz n SER 30 Cb 0.29 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.63 3hkz n SER 30 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3hkz h TYR 31 N 0.00 0.48 0.00 0.66 3.20 0.30 -2.45 116.97 119.15 3hkz h TYR 31 Ca 0.00 -0.28 -0.01 0.00 3.14 0.00 0.00 58.73 61.58 3hkz h TYR 31 Cb 0.00 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.22 3hkz h TYR 31 CO 0.00 1.13 -0.05 -0.91 -1.64 0.00 0.00 178.16 176.70 3hkz h ASN 32 N -0.32 0.00 -0.07 -2.11 2.35 0.13 0.19 115.58 115.76 3hkz h ASN 32 Ca -0.08 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 3hkz h ASN 32 Cb 1.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.68 3hkz h ASN 32 CO 0.10 0.05 -0.31 -0.78 -1.65 0.00 0.00 177.43 174.84 3hkz h ASP 33 N 0.00 0.39 -0.18 5.81 1.82 -1.74 -3.12 116.42 119.40 3hkz h ASP 33 Ca -0.00 -0.65 0.05 0.00 -0.39 0.00 0.00 57.03 56.04 3hkz h ASP 33 Cb 0.12 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 3hkz h ASP 33 CO 0.01 0.98 0.40 0.15 -1.61 0.00 0.00 179.24 179.16 3hkz h PHE 34 N -0.17 0.00 0.00 0.28 3.57 -0.13 -0.62 116.94 119.87 3hkz h PHE 34 Ca -0.02 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3hkz h PHE 34 Cb 0.97 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.71 3hkz h PHE 34 CO 0.13 0.00 -1.77 1.55 -2.23 0.00 0.00 178.31 175.99 3hkz n VAL 35 N -3.24 0.00 0.00 1.41 3.14 -0.85 -2.55 118.33 116.24 3hkz n VAL 35 Ca 0.02 -0.40 0.00 0.00 -2.96 0.00 0.00 64.34 61.00 3hkz n VAL 35 Cb 0.50 0.15 0.00 0.00 -1.06 0.00 0.00 33.84 33.43 3hkz n VAL 35 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 3hkz n ARG 36 N -2.09 0.00 0.15 1.45 0.00 -0.27 -4.59 116.66 111.31 3hkz n ARG 36 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.85 3hkz n ARG 36 Cb 0.47 -0.27 0.39 0.00 0.00 0.00 0.00 32.46 33.05 3hkz n ARG 36 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.63 176.72 3hkz h ASN 37 N 0.00 0.13 -3.89 6.15 2.35 -1.78 -3.47 115.58 115.08 3hkz h ASN 37 Ca 0.00 -0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 55.58 3hkz h ASN 37 Cb 0.00 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 3hkz h ASN 37 CO 0.00 0.36 -0.08 1.17 -1.65 0.00 0.00 177.43 177.24 3hkz n LYS 38 N -4.22 1.42 0.00 0.81 3.00 -1.01 -4.46 118.16 113.69 3hkz n LYS 38 Ca -0.01 -0.81 0.00 0.00 -0.00 0.00 0.00 58.31 57.49 3hkz n LYS 38 Cb 0.31 0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.47 3hkz n LYS 38 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3hkz n LEU 39 N 0.00 0.00 -0.35 3.14 7.94 -1.06 -4.18 117.00 122.50 3hkz n LEU 39 Ca -0.02 0.00 0.26 0.00 -1.11 0.00 0.00 56.01 55.14 3hkz n LEU 39 Cb 0.14 0.00 0.53 0.00 0.53 0.00 0.00 43.42 44.63 3hkz n LEU 39 CO 0.08 0.00 1.21 -0.61 -1.11 0.00 0.00 177.39 176.97 3hkz h GLN 40 N 0.00 0.32 -0.67 1.96 5.75 -1.86 0.66 115.11 121.26 3hkz h GLN 40 Ca 0.00 -0.02 0.12 0.00 -0.15 0.00 0.00 58.65 58.60 3hkz h GLN 40 Cb 0.00 -0.07 -0.08 0.00 1.07 0.00 0.00 27.48 28.40 3hkz h GLN 40 CO 0.00 0.21 0.24 0.93 -2.65 0.00 0.00 178.83 177.56 3hkz h GLU 41 N 0.32 0.39 0.00 1.69 5.08 -1.78 -2.13 114.58 118.15 3hkz h GLU 41 Ca 0.66 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.99 3hkz h GLU 41 Cb 1.75 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3hkz h GLU 41 CO -0.35 0.26 0.00 0.82 -1.00 0.00 0.00 179.01 178.74 3hkz h ILE 42 N 0.40 0.00 -0.29 3.13 2.04 -0.05 -3.03 117.51 119.71 3hkz h ILE 42 Ca 0.35 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 65.42 3hkz h ILE 42 Cb 0.49 1.78 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3hkz h ILE 42 CO -0.36 0.00 0.00 -0.38 0.00 0.00 0.00 178.15 177.41 3hkz n ILE 43 N -3.00 0.92 -2.77 -0.67 2.08 -0.76 -3.82 119.36 111.34 3hkz n ILE 43 Ca 0.03 -0.55 -0.30 0.00 0.56 0.00 0.00 62.75 62.48 3hkz n ILE 43 Cb 0.45 -0.16 -0.02 0.00 -0.75 0.00 0.00 39.64 39.16 3hkz n ILE 43 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3hkz n ASP 44 N 0.35 5.25 0.00 4.38 10.43 -1.15 -4.05 116.55 131.77 3hkz n ASP 44 Ca 0.12 -3.70 0.11 0.00 2.57 0.00 0.00 54.79 53.88 3hkz n ASP 44 Cb 0.52 -0.69 -0.03 0.00 1.84 0.00 0.00 41.12 42.75 3hkz n ASP 44 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3hkz n GLU 45 N -0.26 0.06 -1.19 -1.24 0.28 -1.25 -5.10 120.64 111.95 3hkz n GLU 45 Ca 0.36 -0.01 0.16 0.00 -0.16 0.00 0.00 57.16 57.51 3hkz n GLU 45 Cb 0.39 -1.51 -0.04 0.00 1.43 0.00 0.00 31.44 31.71 3hkz n GLU 45 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3hkz n GLN 46 N -1.59 -2.40 -0.22 3.44 6.02 -1.26 -4.94 117.38 116.44 3hkz n GLN 46 Ca 0.04 1.58 -0.08 0.00 -0.01 0.00 0.00 57.00 58.53 3hkz n GLN 46 Cb 0.35 -2.92 -0.01 0.00 1.02 0.00 0.00 30.24 28.68 3hkz n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hkz n GLY 47 N -3.61 -0.20 3.77 1.08 0.00 -1.23 -4.82 105.19 100.18 3hkz n GLY 47 Ca 0.01 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3hkz n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkz s GLU 48 N -0.11 4.33 0.03 1.61 0.41 -0.40 -4.76 118.70 119.80 3hkz s GLU 48 Ca 0.11 2.21 -0.29 0.00 -0.41 0.00 0.00 54.97 56.58 3hkz s GLU 48 Cb -0.16 -3.05 -0.15 0.00 -1.78 0.00 0.00 34.13 29.00 3hkz s GLU 48 CO 0.09 -0.21 0.76 -0.89 -0.49 0.00 0.00 175.26 174.52 3hkz n ILE 49 N 0.75 0.25 -0.05 -1.63 5.41 -1.26 -4.02 119.36 118.81 3hkz n ILE 49 Ca 0.00 -0.06 -0.03 0.00 1.00 0.00 0.00 62.75 63.66 3hkz n ILE 49 Cb 0.42 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.34 3hkz n ILE 49 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hkz h PRO 50 N 2.07 0.00 -0.92 0.38 0.14 -1.90 -3.44 132.00 128.32 3hkz h PRO 50 Ca -0.37 0.00 -0.07 0.00 0.14 0.00 0.00 66.00 65.71 3hkz h PRO 50 Cb 1.11 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.22 3hkz h PRO 50 CO 0.49 0.00 -0.06 2.41 0.14 0.00 0.00 178.00 180.98 3hkz n THR 51 N -3.97 0.00 -3.58 1.56 -1.04 -1.26 -4.88 114.28 101.11 3hkz n THR 51 Ca -0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 3hkz n THR 51 Cb 0.16 -0.45 -0.11 0.00 -1.82 0.00 0.00 70.33 68.12 3hkz n THR 51 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hkz s GLU 52 N -1.62 3.00 0.16 -2.82 0.41 -1.26 -5.01 118.70 111.56 3hkz s GLU 52 Ca 0.00 -0.97 -0.26 0.00 -0.41 0.00 0.00 54.97 53.33 3hkz s GLU 52 Cb 0.00 -3.75 0.02 0.00 -1.78 0.00 0.00 34.13 28.62 3hkz s GLU 52 CO 0.00 -0.64 1.57 0.82 -0.49 0.00 0.00 175.26 176.52 3hkz h ILE 53 N 5.76 0.09 -2.72 -1.63 2.04 -1.95 -3.16 117.51 115.93 3hkz h ILE 53 Ca -0.27 0.00 -0.57 0.00 1.00 0.00 0.00 64.86 65.01 3hkz h ILE 53 Cb 1.12 0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 3hkz h ILE 53 CO 0.67 0.00 1.21 -2.16 0.00 0.00 0.00 178.15 177.87 3hkz s PRO 54 N -5.83 3.53 -0.46 2.37 0.04 -1.26 -4.77 135.00 128.62 3hkz s PRO 54 Ca -0.14 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 62.37 3hkz s PRO 54 Cb 0.13 -4.13 -0.15 0.00 0.04 0.00 0.00 34.50 30.38 3hkz s PRO 54 CO 0.66 -1.62 1.01 0.41 0.04 0.00 0.00 177.00 177.51 3hkz n GLY 55 N 5.12 -0.23 3.09 0.56 0.00 -1.20 -4.67 105.19 107.87 3hkz n GLY 55 Ca 0.21 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.94 3hkz n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkz s LEU 56 N 0.40 4.77 0.25 0.99 2.96 -1.24 0.17 118.68 126.98 3hkz s LEU 56 Ca 0.61 -1.91 0.05 0.00 -0.22 0.00 0.00 54.13 52.66 3hkz s LEU 56 Cb -0.41 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3hkz s LEU 56 CO 0.26 -0.42 -0.03 -0.54 -1.32 0.00 0.00 176.35 174.29 3hkz s LYS 57 N 1.08 1.42 -0.20 1.98 1.02 -1.08 -4.34 119.74 119.62 3hkz s LYS 57 Ca 0.06 -1.71 -0.01 0.00 0.02 0.00 0.00 55.97 54.33 3hkz s LYS 57 Cb -0.21 -0.86 0.06 0.00 -0.52 0.00 0.00 37.83 36.29 3hkz s LYS 57 CO -0.05 -0.03 -0.02 0.08 -0.92 0.00 0.00 175.35 174.41 3hkz s VAL 58 N -3.23 1.06 -0.07 3.17 1.01 -1.26 -1.70 120.40 119.39 3hkz s VAL 58 Ca 0.28 -0.84 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 3hkz s VAL 58 Cb 0.05 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3hkz s VAL 58 CO 0.10 -0.08 0.41 -0.13 0.00 0.00 0.00 175.10 175.40 3hkz s ARG 59 N 1.62 4.14 -0.15 2.72 0.52 0.81 -1.27 118.95 127.35 3hkz s ARG 59 Ca -0.03 0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 55.42 3hkz s ARG 59 Cb -0.17 -3.34 -0.05 0.00 0.52 0.00 0.00 34.95 31.91 3hkz s ARG 59 CO -0.07 0.41 0.29 -0.51 0.02 0.00 0.00 175.30 175.43 3hkz s LEU 60 N -0.15 4.27 0.00 2.53 1.43 -1.26 0.47 118.68 125.97 3hkz s LEU 60 Ca 0.23 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.86 3hkz s LEU 60 Cb -0.15 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.71 3hkz s LEU 60 CO 0.10 0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3hkz n GLY 61 N 3.20 1.47 3.14 -3.19 0.00 0.35 -4.88 105.19 105.28 3hkz n GLY 61 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3hkz n GLY 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 62 N 0.44 1.02 -0.11 1.61 1.02 -1.26 -4.83 119.74 117.63 3hkz s LYS 62 Ca 0.00 -0.69 -0.10 0.00 0.02 0.00 0.00 55.97 55.20 3hkz s LYS 62 Cb 0.00 -1.03 -0.05 0.00 -0.52 0.00 0.00 37.83 36.24 3hkz s LYS 62 CO 0.00 0.26 0.21 0.42 -0.92 0.00 0.00 175.35 175.33 3hkz s ILE 63 N -0.68 5.37 0.34 2.17 1.01 -1.26 -1.94 121.20 126.21 3hkz s ILE 63 Ca 0.03 0.38 0.07 0.00 0.00 0.00 0.00 60.65 61.13 3hkz s ILE 63 Cb -0.07 -3.50 -0.07 0.00 0.01 0.00 0.00 42.46 38.83 3hkz s ILE 63 CO 0.01 0.55 -0.03 0.00 0.00 0.00 0.00 174.94 175.47 3hkz s ARG 64 N -0.64 1.75 0.49 2.79 3.03 -1.26 -4.80 118.95 120.31 3hkz s ARG 64 Ca 0.16 -1.93 0.08 0.00 2.03 0.00 0.00 55.73 56.07 3hkz s ARG 64 Cb -0.13 -1.38 0.03 0.00 -1.03 0.00 0.00 34.95 32.44 3hkz s ARG 64 CO 0.05 0.01 0.58 0.42 -1.13 0.00 0.00 175.30 175.22 3hkz s ILE 65 N -2.87 2.43 0.00 4.99 -1.09 -1.26 -1.17 121.20 122.23 3hkz s ILE 65 Ca 0.33 -1.15 0.00 0.00 -2.23 0.00 0.00 60.65 57.60 3hkz s ILE 65 Cb 0.06 -2.58 0.00 0.00 -1.58 0.00 0.00 42.46 38.35 3hkz s ILE 65 CO 0.15 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.47 3hkz n GLY 66 N -1.90 5.52 3.87 6.18 0.00 -1.05 -4.84 105.19 112.97 3hkz n GLY 66 Ca 0.08 -1.88 -0.21 0.00 0.00 0.00 0.00 46.02 44.01 3hkz n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 67 N 1.88 2.55 -0.10 1.61 1.02 -1.26 -4.80 119.74 120.63 3hkz s LYS 67 Ca 0.00 -1.52 -0.30 0.00 0.02 0.00 0.00 55.97 54.18 3hkz s LYS 67 Cb 0.00 -2.38 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 3hkz s LYS 67 CO 0.00 -0.16 1.39 -1.25 -0.92 0.00 0.00 175.35 174.41 3hkz s PRO 68 N -4.11 4.23 0.26 -1.68 0.04 -1.26 -4.22 135.00 128.26 3hkz s PRO 68 Ca 0.47 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.42 3hkz s PRO 68 Cb -0.03 -3.79 -0.06 0.00 0.04 0.00 0.00 34.50 30.67 3hkz s PRO 68 CO 0.28 -0.71 -0.01 1.03 0.04 0.00 0.00 177.00 177.62 3hkz s ARG 69 N 3.40 1.46 -0.03 4.56 0.52 -0.65 -2.82 118.95 125.38 3hkz s ARG 69 Ca 0.62 -1.75 -0.05 0.00 -0.52 0.00 0.00 55.73 54.03 3hkz s ARG 69 Cb -0.27 -0.84 0.01 0.00 0.52 0.00 0.00 34.95 34.37 3hkz s ARG 69 CO 0.21 -0.06 0.13 0.14 0.02 0.00 0.00 175.30 175.74 3hkz s VAL 70 N -3.26 0.03 -0.12 3.52 -7.23 -0.15 -4.27 120.40 108.92 3hkz s VAL 70 Ca 0.30 -0.23 -0.04 0.00 -1.81 0.00 0.00 61.98 60.20 3hkz s VAL 70 Cb 0.05 -0.26 0.00 0.00 0.56 0.00 0.00 36.38 36.74 3hkz s VAL 70 CO 0.11 -0.13 0.16 -1.14 -0.31 0.00 0.00 175.10 173.79 3hkz n ARG 71 N 2.53 -0.58 -2.33 4.82 0.63 -1.26 -3.27 116.66 117.20 3hkz n ARG 71 Ca -0.16 0.90 -0.25 0.00 -0.92 0.00 0.00 57.85 57.42 3hkz n ARG 71 Cb 0.58 -2.57 0.08 0.00 0.45 0.00 0.00 32.46 31.00 3hkz n ARG 71 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3hkz s GLU 72 N -1.59 2.03 -0.75 -0.14 4.04 -1.26 -2.27 118.70 118.76 3hkz s GLU 72 Ca 0.06 -0.53 -0.01 0.00 0.04 0.00 0.00 54.97 54.53 3hkz s GLU 72 Cb -0.02 -2.23 0.00 0.00 0.02 0.00 0.00 34.13 31.90 3hkz s GLU 72 CO 0.20 -1.28 0.54 -1.13 -1.84 0.00 0.00 175.26 171.75 3hkz n SER 73 N -2.87 -4.33 0.00 0.83 3.41 -1.26 -4.74 113.62 104.66 3hkz n SER 73 Ca 0.10 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.82 3hkz n SER 73 Cb 0.60 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 3hkz n SER 73 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3hkz n ASP 74 N -2.32 0.00 -2.88 4.04 -0.08 -1.26 -5.02 116.55 109.04 3hkz n ASP 74 Ca -0.30 -0.09 -0.01 0.00 -1.51 0.00 0.00 54.79 52.88 3hkz n ASP 74 Cb 0.63 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 44.09 3hkz n ASP 74 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hkz n ARG 75 N 0.00 -2.50 0.00 -0.67 5.12 -1.26 -5.06 116.66 112.29 3hkz n ARG 75 Ca 0.00 2.15 0.00 0.00 -1.93 0.00 0.00 57.85 58.07 3hkz n ARG 75 Cb 0.02 -3.62 0.00 0.00 -1.16 0.00 0.00 32.46 27.71 3hkz n ARG 75 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hkz n GLY 76 N 1.19 0.43 3.54 -0.13 0.00 -1.24 -5.07 105.19 103.90 3hkz n GLY 76 Ca -0.06 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 3hkz n GLY 76 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 77 N 0.00 -1.40 -4.42 1.61 -0.58 -0.96 -5.04 120.64 109.86 3hkz n GLU 77 Ca 0.00 0.96 -0.21 0.00 -0.42 0.00 0.00 57.16 57.49 3hkz n GLU 77 Cb 0.00 -3.70 -0.10 0.00 -0.57 0.00 0.00 31.44 27.07 3hkz n GLU 77 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3hkz s ARG 78 N -4.46 1.52 0.15 3.49 3.52 -1.20 -4.95 118.95 117.03 3hkz s ARG 78 Ca 0.07 -1.71 0.07 0.00 -0.13 0.00 0.00 55.73 54.03 3hkz s ARG 78 Cb -0.03 -1.41 -0.04 0.00 -1.56 0.00 0.00 34.95 31.91 3hkz s ARG 78 CO 0.84 0.22 -0.04 -1.21 -0.81 0.00 0.00 175.30 174.30 3hkz s GLU 79 N -3.60 2.27 -0.01 5.12 2.02 -1.26 -0.97 118.70 122.27 3hkz s GLU 79 Ca 0.27 -1.10 0.05 0.00 0.02 0.00 0.00 54.97 54.21 3hkz s GLU 79 Cb -0.02 -2.32 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 3hkz s GLU 79 CO 0.11 0.47 -0.17 0.96 0.02 0.00 0.00 175.26 176.65 3hkz s ILE 80 N -1.57 1.32 0.35 -1.63 -4.36 -1.13 -4.96 121.20 109.22 3hkz s ILE 80 Ca 0.25 -0.72 -0.22 0.00 -0.26 0.00 0.00 60.65 59.70 3hkz s ILE 80 Cb -0.10 -1.10 -0.10 0.00 1.25 0.00 0.00 42.46 42.41 3hkz s ILE 80 CO 0.17 0.37 0.90 -0.55 0.24 0.00 0.00 174.94 176.06 3hkz s SER 81 N -0.40 7.11 0.35 4.36 0.15 -1.26 -4.87 113.70 119.14 3hkz s SER 81 Ca 0.06 1.68 0.05 0.00 0.70 0.00 0.00 55.95 58.44 3hkz s SER 81 Cb -0.06 -2.52 0.64 0.00 -1.71 0.00 0.00 66.02 62.36 3hkz s SER 81 CO -0.01 -0.17 1.89 1.55 1.20 0.00 0.00 173.24 177.70 3hkz h PRO 82 N 2.67 0.49 0.00 5.44 0.13 -2.00 0.44 132.00 139.17 3hkz h PRO 82 Ca -0.48 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.55 3hkz h PRO 82 Cb 1.19 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hkz h PRO 82 CO 0.64 0.52 0.00 -1.33 -0.23 0.00 0.00 178.00 177.60 3hkz n MET 83 N -4.29 0.64 -0.03 0.86 2.81 -1.26 -2.14 117.12 113.70 3hkz n MET 83 Ca 0.01 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.87 3hkz n MET 83 Cb 0.24 -1.11 -0.01 0.00 -0.71 0.00 0.00 33.22 31.63 3hkz n MET 83 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3hkz n GLU 84 N -0.61 0.17 -0.51 0.03 1.02 0.14 -4.10 120.64 116.78 3hkz n GLU 84 Ca 0.03 0.07 0.44 0.00 -0.02 0.00 0.00 57.16 57.68 3hkz n GLU 84 Cb 0.02 -0.76 0.74 0.00 -0.02 0.00 0.00 31.44 31.42 3hkz n GLU 84 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkz h ALA 85 N -1.43 3.51 0.21 0.62 0.00 -1.21 1.01 119.26 121.97 3hkz h ALA 85 Ca 0.00 -0.06 -0.32 0.00 0.00 0.00 0.00 54.91 54.53 3hkz h ALA 85 Cb 0.32 0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.25 3hkz h ALA 85 CO 0.00 -2.06 -1.48 0.00 0.00 0.00 0.00 179.25 175.71 3hkz h ARG 86 N 0.00 0.45 0.00 0.00 3.08 -1.68 0.62 114.38 116.85 3hkz h ARG 86 Ca 0.76 -0.77 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 3hkz h ARG 86 Cb 3.23 0.29 -0.02 0.00 0.08 0.00 0.00 29.97 33.55 3hkz h ARG 86 CO -0.01 1.37 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.68 3hkz h LEU 87 N 0.04 0.00 -0.61 3.04 3.38 0.31 -3.24 115.31 118.23 3hkz h LEU 87 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3hkz h LEU 87 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 3hkz h LEU 87 CO 0.22 0.51 -0.56 0.54 0.09 0.00 0.00 178.44 179.24 3hkz n ARG 88 N -3.50 0.78 -3.67 1.13 5.12 0.28 -4.98 116.66 111.81 3hkz n ARG 88 Ca 0.00 -0.61 -0.23 0.00 -1.93 0.00 0.00 57.85 55.09 3hkz n ARG 88 Cb 0.62 -1.49 0.05 0.00 -1.16 0.00 0.00 32.46 30.48 3hkz n ARG 88 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3hkz n ASN 89 N -0.58 -2.87 -4.55 0.55 5.03 -0.02 -4.65 115.26 108.17 3hkz n ASN 89 Ca 0.08 -0.73 -0.24 0.00 0.87 0.00 0.00 54.58 54.57 3hkz n ASN 89 Cb 0.41 -4.40 -0.09 0.00 -1.02 0.00 0.00 39.78 34.67 3hkz n ASN 89 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3hkz s LEU 90 N -6.83 2.86 0.00 3.41 1.02 0.20 -4.30 118.68 115.04 3hkz s LEU 90 Ca 0.23 -0.83 0.27 0.00 0.02 0.00 0.00 54.13 53.81 3hkz s LEU 90 Cb -0.11 -1.40 1.62 0.00 0.02 0.00 0.00 46.19 46.32 3hkz s LEU 90 CO 0.79 0.03 2.04 0.41 0.02 0.00 0.00 176.35 179.64 3hkz n THR 91 N -0.65 0.00 -3.91 5.49 -1.04 -1.26 -3.20 114.28 109.71 3hkz n THR 91 Ca -0.06 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.60 3hkz n THR 91 Cb 0.59 -0.43 0.01 0.00 -1.82 0.00 0.00 70.33 68.68 3hkz n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n TYR 92 N -0.93 -1.62 -3.86 -1.42 9.36 -1.23 -4.50 117.16 112.97 3hkz n TYR 92 Ca 0.20 0.42 -0.08 0.00 3.32 0.00 0.00 57.90 61.77 3hkz n TYR 92 Cb 0.09 -2.61 -0.01 0.00 -0.63 0.00 0.00 39.34 36.18 3hkz n TYR 92 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3hkz n ALA 93 N -3.70 0.18 -2.12 2.98 0.00 -1.26 -2.34 120.51 114.24 3hkz n ALA 93 Ca -0.21 -0.59 -0.08 0.00 0.00 0.00 0.00 53.44 52.56 3hkz n ALA 93 Cb 0.60 0.28 -0.10 0.00 0.00 0.00 0.00 19.45 20.23 3hkz n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkz s ALA 94 N -2.22 0.60 0.20 0.00 0.00 0.54 -1.64 121.76 119.25 3hkz s ALA 94 Ca 0.05 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.72 3hkz s ALA 94 Cb -0.00 0.25 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 3hkz s ALA 94 CO 0.03 -0.34 0.46 -1.25 0.00 0.00 0.00 175.76 174.66 3hkz s PRO 95 N -3.87 3.66 -0.38 0.00 0.04 -1.26 0.30 135.00 133.49 3hkz s PRO 95 Ca 0.08 0.00 -0.16 0.00 0.04 0.00 0.00 61.00 60.96 3hkz s PRO 95 Cb 0.07 -2.75 0.00 0.00 0.04 0.00 0.00 34.50 31.87 3hkz s PRO 95 CO -0.09 0.37 0.40 -0.51 0.04 0.00 0.00 177.00 177.21 3hkz s LEU 96 N -2.95 4.65 0.00 -3.56 1.43 -1.01 -2.52 118.68 114.72 3hkz s LEU 96 Ca 0.43 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3hkz s LEU 96 Cb -0.11 -2.36 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3hkz s LEU 96 CO 0.25 -0.46 0.00 0.79 0.23 0.00 0.00 176.35 177.16 3hkz n TRP 97 N 5.49 0.00 -0.71 0.29 7.02 -0.32 -0.74 117.44 128.47 3hkz n TRP 97 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 3hkz n TRP 97 Cb 0.48 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.37 3hkz n TRP 97 CO 0.00 0.00 0.00 -0.11 -2.02 0.00 0.00 177.69 175.56 3hkz n LEU 98 N 0.00 -3.52 -4.03 -0.99 -0.00 -1.25 -3.01 117.00 104.19 3hkz n LEU 98 Ca 0.00 1.13 -0.33 0.00 -0.00 0.00 0.00 56.01 56.81 3hkz n LEU 98 Cb 0.00 -0.64 -0.10 0.00 -0.00 0.00 0.00 43.42 42.68 3hkz n LEU 98 CO 0.00 -0.28 0.10 -0.89 -0.00 0.00 0.00 177.39 176.31 3hkz s THR 99 N -1.16 3.59 0.50 1.96 2.01 -0.82 -1.51 115.64 120.23 3hkz s THR 99 Ca 0.00 -3.64 -0.19 0.00 0.31 0.00 0.00 61.69 58.17 3hkz s THR 99 Cb 0.00 -3.31 -0.08 0.00 0.01 0.00 0.00 72.50 69.12 3hkz s THR 99 CO 0.00 -0.97 1.02 -0.04 -0.69 0.00 0.00 174.62 173.94 3hkz s MET 100 N -0.88 3.79 -0.12 4.92 -1.94 -1.20 0.13 119.30 124.00 3hkz s MET 100 Ca 0.22 1.22 -0.01 0.00 -1.71 0.00 0.00 55.69 55.42 3hkz s MET 100 Cb -0.13 -2.10 0.03 0.00 2.01 0.00 0.00 34.83 34.64 3hkz s MET 100 CO -0.09 -0.42 -0.04 0.42 -0.01 0.00 0.00 175.02 174.87 3hkz s ILE 101 N -2.22 0.86 0.58 2.53 1.01 0.18 -4.05 121.20 120.10 3hkz s ILE 101 Ca 0.64 -0.30 -0.14 0.00 0.00 0.00 0.00 60.65 60.85 3hkz s ILE 101 Cb -0.14 -0.99 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3hkz s ILE 101 CO 0.24 0.24 1.02 -2.84 0.00 0.00 0.00 174.94 173.61 3hkz s PRO 102 N 1.76 3.56 -0.46 2.79 0.02 -1.26 -0.13 135.00 141.29 3hkz s PRO 102 Ca 0.04 0.97 0.07 0.00 0.02 0.00 0.00 61.00 62.09 3hkz s PRO 102 Cb -0.13 -2.08 0.24 0.00 0.02 0.00 0.00 34.50 32.55 3hkz s PRO 102 CO -0.07 -0.60 0.76 0.28 -0.33 0.00 0.00 177.00 177.04 3hkz n VAL 103 N -2.18 -0.25 -0.91 3.83 0.31 -0.69 -3.58 118.33 114.86 3hkz n VAL 103 Ca 0.07 -2.36 -0.10 0.00 -0.01 0.00 0.00 64.34 61.95 3hkz n VAL 103 Cb 0.54 0.29 -0.13 0.00 -0.91 0.00 0.00 33.84 33.63 3hkz n VAL 103 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hkz n GLU 104 N 1.61 1.80 0.00 5.55 1.02 -1.26 -2.62 120.64 126.74 3hkz n GLU 104 Ca 0.13 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.44 3hkz n GLU 104 Cb 0.59 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 3hkz n GLU 104 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3hkz n ASN 105 N 2.21 0.00 -3.53 1.62 2.85 0.46 -4.82 115.26 114.05 3hkz n ASN 105 Ca 0.34 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.77 3hkz n ASN 105 Cb 0.81 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.84 3hkz n ASN 105 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 3hkz s ASN 106 N 0.00 -0.10 0.01 1.20 4.22 -1.26 -4.92 114.94 114.10 3hkz s ASN 106 Ca 0.00 -0.59 -0.30 0.00 -2.14 0.00 0.00 52.86 49.82 3hkz s ASN 106 Cb 0.00 0.55 -0.04 0.00 1.28 0.00 0.00 41.25 43.03 3hkz s ASN 106 CO 0.00 -1.05 1.16 -0.51 -2.04 0.00 0.00 177.10 174.66 3hkz s ILE 107 N -2.83 4.26 0.00 0.54 2.07 -1.26 -4.46 121.20 119.52 3hkz s ILE 107 Ca 0.16 1.61 0.00 0.00 -1.41 0.00 0.00 60.65 61.01 3hkz s ILE 107 Cb -0.02 -4.03 0.00 0.00 0.13 0.00 0.00 42.46 38.53 3hkz s ILE 107 CO 0.05 0.08 0.00 -1.84 -1.91 0.00 0.00 174.94 171.32 3hkz n GLU 108 N 4.35 0.00 0.00 3.50 -0.00 -1.23 -5.04 120.64 122.22 3hkz n GLU 108 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.25 3hkz n GLU 108 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.91 3hkz n GLU 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hkz n ALA 109 N -3.00 0.00 -2.09 -1.84 0.00 -1.26 -4.45 120.51 107.87 3hkz n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkz n ALA 109 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hkz n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3hkz n GLU 110 N 0.00 -5.75 0.02 0.00 1.02 -1.26 -4.86 120.64 109.81 3hkz n GLU 110 Ca 0.00 4.07 -0.02 0.00 -0.02 0.00 0.00 57.16 61.19 3hkz n GLU 110 Cb 0.00 -4.41 -0.01 0.00 -0.02 0.00 0.00 31.44 27.01 3hkz n GLU 110 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3hkz h PRO 111 N 4.22 -0.10 -1.64 3.49 0.11 -1.88 -3.50 132.00 132.70 3hkz h PRO 111 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 3hkz h PRO 111 Cb 0.00 0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.13 3hkz h PRO 111 CO 0.00 -0.07 0.00 -1.91 -0.21 0.00 0.00 178.00 175.81 3hkz n GLU 112 N -3.63 0.00 -1.88 1.05 2.13 -1.26 -4.34 120.64 112.71 3hkz n GLU 112 Ca -0.01 0.27 -0.22 0.00 0.66 0.00 0.00 57.16 57.86 3hkz n GLU 112 Cb 0.04 -0.82 -0.06 0.00 0.27 0.00 0.00 31.44 30.87 3hkz n GLU 112 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 3hkz s GLU 113 N -1.66 2.18 -0.19 5.31 2.02 -1.26 -3.26 118.70 121.84 3hkz s GLU 113 Ca 0.00 -0.12 -0.22 0.00 0.02 0.00 0.00 54.97 54.65 3hkz s GLU 113 Cb 0.00 -4.99 -0.02 0.00 0.10 0.00 0.00 34.13 29.22 3hkz s GLU 113 CO 0.00 -3.87 0.69 0.08 0.02 0.00 0.00 175.26 172.19 3hkz s VAL 114 N 11.98 4.97 0.31 2.63 1.01 -0.57 -4.93 120.40 135.81 3hkz s VAL 114 Ca 0.78 1.32 -0.26 0.00 0.00 0.00 0.00 61.98 63.82 3hkz s VAL 114 Cb -0.08 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 3hkz s VAL 114 CO 0.04 0.08 0.92 -0.31 0.00 0.00 0.00 175.10 175.83 3hkz s TYR 115 N 2.03 3.70 -0.03 5.22 1.51 -1.16 -4.08 117.35 124.53 3hkz s TYR 115 Ca 0.31 1.75 -0.02 0.00 -1.01 0.00 0.00 57.07 58.10 3hkz s TYR 115 Cb -0.16 -2.89 -0.02 0.00 -0.11 0.00 0.00 41.96 38.78 3hkz s TYR 115 CO 0.11 0.23 -0.06 -0.89 -1.11 0.00 0.00 175.55 173.83 3hkz n ILE 116 N 0.61 0.41 -2.84 2.71 2.08 0.08 -5.00 119.36 117.41 3hkz n ILE 116 Ca 0.01 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.33 3hkz n ILE 116 Cb 0.50 -1.58 0.00 0.00 -0.75 0.00 0.00 39.64 37.81 3hkz n ILE 116 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3hkz n GLY 117 N 2.80 5.75 2.82 7.39 0.00 -1.26 -4.24 105.19 118.45 3hkz n GLY 117 Ca -0.08 -1.53 -0.25 0.00 0.00 0.00 0.00 46.02 44.17 3hkz n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 118 N 1.00 1.97 -0.24 1.61 1.11 -1.26 -2.40 116.67 118.46 3hkz s ASP 118 Ca 0.00 -0.25 -0.15 0.00 0.18 0.00 0.00 52.55 52.33 3hkz s ASP 118 Cb 0.00 -0.61 -0.04 0.00 1.07 0.00 0.00 42.92 43.34 3hkz s ASP 118 CO 0.00 -0.18 0.37 -0.22 1.18 0.00 0.00 175.17 176.32 3hkz s LEU 119 N 1.86 4.09 0.24 1.23 2.96 0.86 -4.71 118.68 125.20 3hkz s LEU 119 Ca 0.04 0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 54.01 3hkz s LEU 119 Cb -0.13 -2.44 -0.11 0.00 0.50 0.00 0.00 46.19 44.01 3hkz s LEU 119 CO -0.07 -0.13 1.61 -2.84 -1.32 0.00 0.00 176.35 173.60 3hkz s PRO 120 N 1.73 4.15 -0.18 0.98 0.02 -1.26 -0.34 135.00 140.10 3hkz s PRO 120 Ca 0.16 2.52 -0.08 0.00 0.02 0.00 0.00 61.00 63.62 3hkz s PRO 120 Cb -0.15 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3hkz s PRO 120 CO 0.09 -0.64 0.07 0.42 -0.33 0.00 0.00 177.00 176.61 3hkz s ILE 121 N 0.53 4.87 0.26 2.83 -1.09 -0.99 -4.87 121.20 122.74 3hkz s ILE 121 Ca 0.67 -0.00 -0.29 0.00 -2.23 0.00 0.00 60.65 58.79 3hkz s ILE 121 Cb -0.47 -3.20 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3hkz s ILE 121 CO 0.40 0.46 0.99 -0.32 -1.23 0.00 0.00 174.94 175.24 3hkz s MET 122 N 0.37 4.76 0.92 2.79 1.75 -1.26 -4.39 119.30 124.24 3hkz s MET 122 Ca 0.04 1.57 -0.11 0.00 -1.25 0.00 0.00 55.69 55.94 3hkz s MET 122 Cb -0.12 -3.21 0.15 0.00 2.84 0.00 0.00 34.83 34.49 3hkz s MET 122 CO -0.00 0.40 1.10 -0.51 -0.65 0.00 0.00 175.02 175.35 3hkz s LEU 123 N -1.34 2.31 0.00 4.11 1.02 0.57 -2.78 118.68 122.56 3hkz s LEU 123 Ca 0.43 1.74 0.00 0.00 0.02 0.00 0.00 54.13 56.32 3hkz s LEU 123 Cb -0.27 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 41.83 3hkz s LEU 123 CO 0.34 -2.93 0.00 0.29 0.02 0.00 0.00 176.35 174.07 3hkz n LYS 124 N -4.09 -1.40 -1.47 1.70 5.02 -1.26 -3.24 118.16 113.42 3hkz n LYS 124 Ca 0.08 0.01 -0.32 0.00 -2.02 0.00 0.00 58.31 56.06 3hkz n LYS 124 Cb 0.54 -2.10 0.07 0.00 -0.02 0.00 0.00 35.03 33.52 3hkz n LYS 124 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hkz s SER 125 N -0.03 4.80 0.15 4.39 1.04 -1.12 -4.39 113.70 118.54 3hkz s SER 125 Ca 0.00 1.87 -0.29 0.00 0.48 0.00 0.00 55.95 58.01 3hkz s SER 125 Cb 0.00 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.56 3hkz s SER 125 CO 0.00 -1.83 1.56 0.00 0.98 0.00 0.00 173.24 173.95 3hkz h ALA 126 N -0.67 -0.52 0.00 5.32 0.00 -1.89 -1.27 119.26 120.22 3hkz h ALA 126 Ca -0.45 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3hkz h ALA 126 Cb 1.23 1.04 -0.01 0.00 0.00 0.00 0.00 17.79 20.06 3hkz h ALA 126 CO 0.53 -0.92 -0.32 0.97 0.00 0.00 0.00 179.25 179.50 3hkz h ILE 127 N -0.29 1.05 -2.56 0.00 6.09 -1.92 -3.41 117.51 116.47 3hkz h ILE 127 Ca 0.14 -1.19 -0.53 0.00 -1.37 0.00 0.00 64.86 61.91 3hkz h ILE 127 Cb 0.57 1.67 0.02 0.00 0.47 0.00 0.00 36.82 39.56 3hkz h ILE 127 CO -0.66 0.32 1.09 -0.62 -3.07 0.00 0.00 178.15 175.21 3hkz s ASP 128 N -6.67 6.52 0.56 2.19 3.68 -0.48 -4.86 116.67 117.60 3hkz s ASP 128 Ca -0.02 2.59 0.33 0.00 2.13 0.00 0.00 52.55 57.58 3hkz s ASP 128 Cb 0.13 -2.55 1.46 0.00 -1.45 0.00 0.00 42.92 40.51 3hkz s ASP 128 CO 0.69 -0.97 1.78 -0.65 0.13 0.00 0.00 175.17 176.15 3hkz h PRO 129 N 8.99 0.00 -0.55 4.34 0.11 -1.82 -1.24 132.00 141.84 3hkz h PRO 129 Ca -0.45 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 3hkz h PRO 129 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 3hkz h PRO 129 CO 0.94 0.00 0.23 0.82 -0.21 0.00 0.00 178.00 179.78 3hkz h ILE 130 N 0.00 1.19 -0.62 4.15 2.04 -1.89 -3.25 117.51 119.13 3hkz h ILE 130 Ca 0.44 -0.59 0.17 0.00 1.00 0.00 0.00 64.86 65.88 3hkz h ILE 130 Cb 1.99 0.53 -0.12 0.00 -0.74 0.00 0.00 36.82 38.48 3hkz h ILE 130 CO -0.00 0.24 -0.00 -0.24 0.00 0.00 0.00 178.15 178.14 3hkz n SER 131 N -4.34 -0.09 -3.09 1.72 2.88 -0.47 -1.64 113.62 108.59 3hkz n SER 131 Ca 0.05 1.06 -0.30 0.00 -1.33 0.00 0.00 58.87 58.34 3hkz n SER 131 Cb 0.15 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.21 3hkz n SER 131 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkz n GLN 132 N -4.82 3.72 -4.15 -1.46 1.13 -1.23 -4.99 117.38 105.57 3hkz n GLN 132 Ca 0.14 -4.83 -0.30 0.00 -1.94 0.00 0.00 57.00 50.07 3hkz n GLN 132 Cb 0.46 -2.29 -0.08 0.00 0.11 0.00 0.00 30.24 28.44 3hkz n GLN 132 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 3hkz s TYR 133 N -3.66 2.97 0.50 1.08 1.51 -0.65 -5.12 117.35 113.97 3hkz s TYR 133 Ca 0.47 -0.03 -0.18 0.00 -1.01 0.00 0.00 57.07 56.31 3hkz s TYR 133 Cb 0.26 -1.54 -0.08 0.00 -0.11 0.00 0.00 41.96 40.49 3hkz s TYR 133 CO -0.14 0.47 0.99 -0.08 -1.11 0.00 0.00 175.55 175.69 3hkz s THR 134 N -1.28 4.26 0.04 -0.71 -1.32 -1.26 -4.83 115.64 110.53 3hkz s THR 134 Ca 0.25 1.23 -0.07 0.00 -1.21 0.00 0.00 61.69 61.88 3hkz s THR 134 Cb -0.12 -3.59 -0.02 0.00 -1.51 0.00 0.00 72.50 67.27 3hkz s THR 134 CO 0.17 -0.48 0.55 -0.11 -2.21 0.00 0.00 174.62 172.54 3hkz n LEU 135 N -1.27 -0.25 0.01 9.08 0.00 -1.26 0.13 117.00 123.44 3hkz n LEU 135 Ca 0.07 0.61 0.20 0.00 0.00 0.00 0.00 56.01 56.89 3hkz n LEU 135 Cb 0.54 -0.15 0.70 0.00 0.00 0.00 0.00 43.42 44.51 3hkz n LEU 135 CO 0.43 -0.44 1.19 0.44 0.00 0.00 0.00 177.39 179.01 3hkz h ASP 136 N 0.00 0.00 1.24 1.96 3.32 -2.01 -0.19 116.42 120.74 3hkz h ASP 136 Ca 0.04 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.02 3hkz h ASP 136 Cb 0.10 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 3hkz h ASP 136 CO -0.22 0.00 -0.33 0.11 -1.72 0.00 0.00 179.24 177.07 3hkz h LYS 137 N 0.00 0.00 0.15 3.56 1.57 0.69 -3.20 116.57 119.33 3hkz h LYS 137 Ca 0.25 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.73 3hkz h LYS 137 Cb 1.02 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.34 3hkz h LYS 137 CO -0.00 0.33 -1.35 -0.07 -0.57 0.00 0.00 179.45 177.79 3hkz h LEU 138 N 0.00 0.49 -1.00 2.94 4.07 -0.47 -3.02 115.31 118.32 3hkz h LEU 138 Ca -0.00 -0.56 0.17 0.00 0.08 0.00 0.00 57.88 57.57 3hkz h LEU 138 Cb 1.04 -0.16 -0.10 0.00 1.08 0.00 0.00 40.66 42.52 3hkz h LEU 138 CO 0.04 1.44 0.61 0.40 -1.08 0.00 0.00 178.44 179.86 3hkz h ILE 139 N 0.09 0.78 -0.26 1.22 2.04 -1.61 0.04 117.51 119.81 3hkz h ILE 139 Ca -0.18 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.40 3hkz h ILE 139 Cb 2.02 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 3hkz h ILE 139 CO 0.21 0.15 0.17 -0.33 0.00 0.00 0.00 178.15 178.35 3hkz h GLU 140 N 0.83 0.33 -0.69 2.37 5.08 -1.54 -2.74 114.58 118.22 3hkz h GLU 140 Ca 0.55 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.99 3hkz h GLU 140 Cb 0.76 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 3hkz h GLU 140 CO -0.34 0.22 0.30 0.82 -1.00 0.00 0.00 179.01 179.01 3hkz h ILE 141 N 0.34 0.78 0.00 3.13 2.04 -1.05 -3.46 117.51 119.29 3hkz h ILE 141 Ca 0.10 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.78 3hkz h ILE 141 Cb -0.03 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3hkz h ILE 141 CO -0.03 0.09 0.00 0.61 0.00 0.00 0.00 178.15 178.83 3hkz n GLY 142 N -1.30 1.27 3.51 5.37 0.00 -0.14 -4.81 105.19 109.09 3hkz n GLY 142 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 3hkz n GLY 142 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hkz s GLU 143 N 0.00 1.82 -0.35 1.61 -1.05 -1.06 -4.92 118.70 114.75 3hkz s GLU 143 Ca 0.00 -2.07 -0.29 0.00 -0.15 0.00 0.00 54.97 52.47 3hkz s GLU 143 Cb 0.00 -0.89 0.02 0.00 -0.44 0.00 0.00 34.13 32.81 3hkz s GLU 143 CO 0.00 -0.30 1.08 0.16 0.95 0.00 0.00 175.26 177.15 3hkz s ASP 144 N -3.58 6.87 0.64 0.83 3.84 -1.26 -3.88 116.67 120.13 3hkz s ASP 144 Ca 0.29 0.94 0.42 0.00 -0.00 0.00 0.00 52.55 54.19 3hkz s ASP 144 Cb 0.06 -2.54 2.18 0.00 -1.38 0.00 0.00 42.92 41.24 3hkz s ASP 144 CO 0.14 -0.94 2.29 1.55 -0.00 0.00 0.00 175.17 178.21 3hkz h PRO 145 N 8.28 0.00 -0.01 2.11 0.13 -1.91 0.25 132.00 140.86 3hkz h PRO 145 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3hkz h PRO 145 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hkz h PRO 145 CO 1.04 0.00 -0.19 1.63 -0.23 0.00 0.00 178.00 180.26 3hkz n LYS 146 N -3.13 0.85 -1.70 0.86 5.02 -1.26 -4.87 118.16 113.93 3hkz n LYS 146 Ca -0.02 -0.44 -0.43 0.00 -2.02 0.00 0.00 58.31 55.39 3hkz n LYS 146 Cb 0.12 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 3hkz n LYS 146 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hkz n ASP 147 N -0.69 3.44 0.12 4.39 4.64 0.89 -4.91 116.55 124.44 3hkz n ASP 147 Ca 0.13 1.11 -0.00 0.00 -1.38 0.00 0.00 54.79 54.66 3hkz n ASP 147 Cb 0.32 -1.51 -0.01 0.00 -1.04 0.00 0.00 41.12 38.88 3hkz n ASP 147 CO 0.00 0.00 0.00 1.55 -0.82 0.00 0.00 177.20 177.93 3hkz h PRO 148 N 5.31 0.00 -2.55 -0.67 0.13 -1.89 -3.50 132.00 128.83 3hkz h PRO 148 Ca -0.45 0.00 0.31 0.00 -0.87 0.00 0.00 66.00 64.99 3hkz h PRO 148 Cb 1.24 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 3hkz h PRO 148 CO 0.84 0.64 -0.43 0.41 -0.23 0.00 0.00 178.00 179.23 3hkz n GLY 149 N 1.25 -1.81 0.00 1.56 0.00 -1.26 -4.83 105.19 100.10 3hkz n GLY 149 Ca 0.01 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3hkz n GLY 149 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 150 N -3.59 2.43 3.99 -0.02 0.00 -1.20 -4.96 105.19 101.85 3hkz n GLY 150 Ca 0.01 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3hkz n GLY 150 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkz s TYR 151 N -2.27 2.99 0.27 1.61 -0.85 -1.26 -4.81 117.35 113.03 3hkz s TYR 151 Ca 0.00 -0.29 0.08 0.00 -0.52 0.00 0.00 57.07 56.33 3hkz s TYR 151 Cb 0.00 -2.14 -0.04 0.00 0.38 0.00 0.00 41.96 40.17 3hkz s TYR 151 CO 0.00 -0.16 0.18 -0.06 -1.52 0.00 0.00 175.55 173.99 3hkz s PHE 152 N -2.24 3.01 -0.36 -3.49 0.08 -0.77 -0.31 117.98 113.89 3hkz s PHE 152 Ca 0.49 -0.16 0.04 0.00 0.12 0.00 0.00 56.93 57.42 3hkz s PHE 152 Cb -0.10 -1.42 0.10 0.00 -0.57 0.00 0.00 43.02 41.03 3hkz s PHE 152 CO 0.32 0.49 0.07 0.42 -0.10 0.00 0.00 175.22 176.42 3hkz s ILE 153 N -2.19 2.26 0.13 0.64 1.01 -1.26 -2.44 121.20 119.34 3hkz s ILE 153 Ca 0.34 -2.42 -0.15 0.00 0.00 0.00 0.00 60.65 58.42 3hkz s ILE 153 Cb -0.07 -2.66 -0.07 0.00 0.01 0.00 0.00 42.46 39.67 3hkz s ILE 153 CO 0.24 -0.62 0.54 0.68 0.00 0.00 0.00 174.94 175.78 3hkz s VAL 154 N 0.80 4.85 -0.69 2.92 -7.23 -1.26 -3.56 120.40 116.23 3hkz s VAL 154 Ca 0.12 0.88 -0.02 0.00 -1.81 0.00 0.00 61.98 61.14 3hkz s VAL 154 Cb -0.20 -3.76 0.02 0.00 0.56 0.00 0.00 36.38 33.01 3hkz s VAL 154 CO -0.08 0.31 0.06 0.59 -0.31 0.00 0.00 175.10 175.67 3hkz n ASN 155 N 0.99 0.13 0.00 4.85 3.02 -1.20 -0.87 115.26 122.17 3hkz n ASN 155 Ca -0.06 -0.54 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 3hkz n ASN 155 Cb 0.52 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 3hkz n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 156 N -1.45 0.80 0.08 7.41 0.00 -1.19 -4.59 105.19 106.24 3hkz n GLY 156 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 3hkz n GLY 156 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hkz h SER 157 N 0.00 0.01 -0.99 1.61 4.64 -1.34 -3.43 113.55 114.06 3hkz h SER 157 Ca 0.00 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.40 3hkz h SER 157 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hkz h SER 157 CO 0.00 1.09 0.00 -0.62 -0.87 0.00 0.00 176.83 176.43 3hkz n GLU 158 N -4.57 0.00 -3.62 4.77 1.02 -1.25 -4.85 120.64 112.13 3hkz n GLU 158 Ca -0.14 0.16 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 3hkz n GLU 158 Cb 0.52 -0.35 -0.05 0.00 -0.02 0.00 0.00 31.44 31.53 3hkz n GLU 158 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hkz s ARG 159 N -0.15 3.72 -0.07 3.49 3.00 -1.02 -1.94 118.95 125.99 3hkz s ARG 159 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 55.73 55.92 3hkz s ARG 159 Cb 0.00 -3.06 -0.01 0.00 0.00 0.00 0.00 34.95 31.89 3hkz s ARG 159 CO 0.00 0.61 -0.24 0.54 0.00 0.00 0.00 175.30 176.21 3hkz s VAL 160 N -1.31 1.98 -0.71 3.52 0.11 0.13 -1.85 120.40 122.27 3hkz s VAL 160 Ca 0.30 -1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.07 3hkz s VAL 160 Cb -0.14 -1.69 -0.06 0.00 -1.53 0.00 0.00 36.38 32.96 3hkz s VAL 160 CO 0.16 0.55 2.07 -0.63 -3.33 0.00 0.00 175.10 173.92 3hkz s ILE 161 N -0.02 3.27 -0.18 7.04 -1.09 -1.26 -0.94 121.20 128.02 3hkz s ILE 161 Ca -0.07 -0.05 -0.24 0.00 -2.23 0.00 0.00 60.65 58.06 3hkz s ILE 161 Cb -0.15 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 3hkz s ILE 161 CO 0.05 -0.63 0.78 0.54 -1.23 0.00 0.00 174.94 174.45 3hkz s VAL 162 N 10.83 4.91 -0.45 2.92 0.11 0.39 -4.51 120.40 134.60 3hkz s VAL 162 Ca 0.77 1.53 -0.44 0.00 -2.93 0.00 0.00 61.98 60.91 3hkz s VAL 162 Cb -0.11 -4.09 -0.18 0.00 -1.53 0.00 0.00 36.38 30.46 3hkz s VAL 162 CO 0.13 0.05 1.88 1.07 -3.33 0.00 0.00 175.10 174.90 3hkz n THR 163 N 4.73 0.07 -2.21 5.04 5.66 -1.25 -4.79 114.28 121.53 3hkz n THR 163 Ca 0.03 -0.04 -0.27 0.00 -3.05 0.00 0.00 64.05 60.73 3hkz n THR 163 Cb 0.49 -0.74 0.12 0.00 -1.55 0.00 0.00 70.33 68.66 3hkz n THR 163 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3hkz s GLN 164 N 4.54 1.45 -0.32 1.09 -1.52 -1.07 -2.26 119.66 121.57 3hkz s GLN 164 Ca 1.10 -0.56 -0.01 0.00 -1.95 0.00 0.00 55.36 53.94 3hkz s GLN 164 Cb -1.36 -2.09 0.10 0.00 -0.22 0.00 0.00 33.01 29.44 3hkz s GLN 164 CO 0.70 -1.75 0.12 -2.00 -0.25 0.00 0.00 175.29 172.11 3hkz s GLU 165 N -5.47 0.71 1.10 2.91 2.12 -0.92 -2.64 118.70 116.51 3hkz s GLU 165 Ca 0.67 -1.12 -0.13 0.00 0.36 0.00 0.00 54.97 54.75 3hkz s GLU 165 Cb -0.07 -1.92 0.21 0.00 0.26 0.00 0.00 34.13 32.61 3hkz s GLU 165 CO 0.48 -1.01 0.83 -0.25 -0.54 0.00 0.00 175.26 174.76 3hkz n ASP 166 N 4.74 -1.42 0.00 -1.70 8.00 -0.39 -1.54 116.55 124.24 3hkz n ASP 166 Ca -0.01 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3hkz n ASP 166 Cb 0.41 -1.25 0.00 0.00 -0.02 0.00 0.00 41.12 40.26 3hkz n ASP 166 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hkz n LEU 167 N -3.98 0.07 -3.64 0.64 4.77 -1.26 -4.14 117.00 109.46 3hkz n LEU 167 Ca 0.05 0.07 -0.07 0.00 -0.03 0.00 0.00 56.01 56.03 3hkz n LEU 167 Cb 0.55 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.57 3hkz n LEU 167 CO 0.54 0.00 0.81 0.00 -1.33 0.00 0.00 177.39 177.41 3hkz s ALA 168 N -2.29 -2.06 0.08 -1.18 0.00 -1.26 -3.08 121.76 111.95 3hkz s ALA 168 Ca 0.00 1.89 -0.23 0.00 0.00 0.00 0.00 51.96 53.62 3hkz s ALA 168 Cb 0.00 -1.54 -0.06 0.00 0.00 0.00 0.00 23.12 21.51 3hkz s ALA 168 CO 0.00 -0.23 0.69 -1.25 0.00 0.00 0.00 175.76 174.97 3hkz s PRO 169 N 0.35 4.41 5.79 0.00 0.04 -1.26 -4.49 135.00 139.84 3hkz s PRO 169 Ca 0.02 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3hkz s PRO 169 Cb -0.05 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.19 3hkz s PRO 169 CO -0.09 0.47 0.00 0.09 0.04 0.00 0.00 177.00 177.51 3hkz n ASN 170 N 2.18 0.00 -0.31 6.66 3.02 1.23 -4.94 115.26 123.09 3hkz n ASN 170 Ca -0.06 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.49 3hkz n ASN 170 Cb 0.50 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 3hkz n ASN 170 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 3hkz n ARG 171 N 12.31 0.00 -2.96 3.52 1.85 -1.26 -3.20 116.66 126.92 3hkz n ARG 171 Ca 0.00 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.44 3hkz n ARG 171 Cb 0.00 -0.15 -0.05 0.00 -1.05 0.00 0.00 32.46 31.21 3hkz n ARG 171 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hkz s VAL 172 N -0.93 4.91 -0.14 8.89 1.01 -1.26 -4.58 120.40 128.30 3hkz s VAL 172 Ca 0.00 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.47 3hkz s VAL 172 Cb 0.00 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.32 3hkz s VAL 172 CO 0.00 0.02 -0.20 -0.76 0.00 0.00 0.00 175.10 174.16 3hkz s LEU 173 N 2.30 2.00 0.33 3.92 1.43 -0.60 -4.97 118.68 123.09 3hkz s LEU 173 Ca 0.34 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3hkz s LEU 173 Cb -0.16 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3hkz s LEU 173 CO 0.10 0.04 0.55 -0.69 0.23 0.00 0.00 176.35 176.59 3hkz s VAL 174 N 0.98 5.08 0.00 -1.59 1.01 -1.26 -0.71 120.40 123.91 3hkz s VAL 174 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3hkz s VAL 174 Cb -0.15 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3hkz s VAL 174 CO -0.05 -0.48 0.00 -0.67 0.00 0.00 0.00 175.10 173.91 3hkz n ASP 175 N -1.48 0.00 -3.29 3.32 2.03 0.23 -2.40 116.55 114.96 3hkz n ASP 175 Ca -0.04 -1.00 0.02 0.00 0.52 0.00 0.00 54.79 54.30 3hkz n ASP 175 Cb 0.55 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.93 3hkz n ASP 175 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hkz s THR 176 N -2.21 -0.99 0.80 5.18 2.01 -1.26 -3.45 115.64 115.72 3hkz s THR 176 Ca 0.00 0.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3hkz s THR 176 Cb 0.00 -0.99 0.07 0.00 0.01 0.00 0.00 72.50 71.59 3hkz s THR 176 CO 0.00 -0.00 1.09 -0.83 -0.69 0.00 0.00 174.62 174.19 3hkz s GLY 177 N 2.86 1.64 0.11 4.40 0.00 -1.26 -5.04 107.32 110.03 3hkz s GLY 177 Ca 0.13 -0.05 -0.22 0.00 0.00 0.00 0.00 44.72 44.58 3hkz s GLY 177 CO -0.20 0.35 0.65 0.54 0.00 0.00 0.00 173.10 174.44 3hkz s LYS 178 N -5.05 4.35 0.53 2.90 -0.14 -1.26 -4.97 119.74 116.10 3hkz s LYS 178 Ca 0.61 0.91 -0.18 0.00 -1.36 0.00 0.00 55.97 55.95 3hkz s LYS 178 Cb -0.15 -3.25 -0.12 0.00 -1.68 0.00 0.00 37.83 32.63 3hkz s LYS 178 CO 0.55 0.61 0.19 2.41 -0.76 0.00 0.00 175.35 178.36 3hkz n THR 179 N 1.67 1.09 0.00 2.17 -1.04 -1.26 -4.74 114.28 112.17 3hkz n THR 179 Ca -0.08 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.43 3hkz n THR 179 Cb 0.50 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.69 3hkz n THR 179 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hkz n GLY 180 N 2.15 1.13 0.57 3.41 0.00 -1.26 -5.08 105.19 106.11 3hkz n GLY 180 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.01 3hkz n GLY 180 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hkz n SER 181 N 0.00 1.14 0.00 1.61 7.64 -1.26 -5.03 113.62 117.72 3hkz n SER 181 Ca 0.00 0.11 0.00 0.00 1.01 0.00 0.00 58.87 59.99 3hkz n SER 181 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 3hkz n SER 181 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hkz n ASN 182 N -3.40 0.00 -4.34 6.43 5.03 -1.26 -4.98 115.26 112.74 3hkz n ASN 182 Ca -0.21 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 54.90 3hkz n ASN 182 Cb 0.66 0.00 -0.14 0.00 -1.02 0.00 0.00 39.78 39.28 3hkz n ASN 182 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 3hkz s ILE 183 N -1.43 3.20 0.00 2.41 -0.00 -1.26 -4.66 121.20 119.46 3hkz s ILE 183 Ca 0.00 -0.58 0.00 0.00 -0.00 0.00 0.00 60.65 60.07 3hkz s ILE 183 Cb 0.00 -2.40 0.00 0.00 -0.00 0.00 0.00 42.46 40.06 3hkz s ILE 183 CO 0.00 0.48 0.39 0.41 -0.00 0.00 0.00 174.94 176.22 3hkz n THR 184 N 4.09 0.00 -2.25 8.37 -1.04 0.20 -4.60 114.28 119.05 3hkz n THR 184 Ca -0.18 0.84 -0.11 0.00 -2.04 0.00 0.00 64.05 62.56 3hkz n THR 184 Cb 0.52 -1.75 0.06 0.00 -1.82 0.00 0.00 70.33 67.34 3hkz n THR 184 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hkz n HIS 185 N -0.42 -3.31 -3.55 -1.42 8.25 -1.25 -4.40 115.22 109.12 3hkz n HIS 185 Ca 0.00 -0.75 -0.12 0.00 -0.26 0.00 0.00 57.72 56.59 3hkz n HIS 185 Cb 0.00 -0.35 -0.04 0.00 1.12 0.00 0.00 29.99 30.72 3hkz n HIS 185 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3hkz s THR 186 N -1.43 0.04 0.03 1.59 -1.32 -1.22 -2.12 115.64 111.21 3hkz s THR 186 Ca 0.30 -0.30 0.03 0.00 -1.21 0.00 0.00 61.69 60.52 3hkz s THR 186 Cb -0.02 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.90 3hkz s THR 186 CO 0.20 -0.17 -0.10 0.00 -2.21 0.00 0.00 174.62 172.35 3hkz s ALA 187 N -3.41 0.77 0.05 11.08 0.00 -0.17 -0.60 121.76 129.48 3hkz s ALA 187 Ca 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 51.96 51.35 3hkz s ALA 187 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3hkz s ALA 187 CO -0.09 0.10 -0.16 0.21 0.00 0.00 0.00 175.76 175.81 3hkz s LYS 188 N -1.10 1.05 0.02 0.00 2.20 0.11 0.43 119.74 122.45 3hkz s LYS 188 Ca -0.03 -0.86 0.02 0.00 -0.36 0.00 0.00 55.97 54.74 3hkz s LYS 188 Cb -0.07 -1.11 -0.01 0.00 -1.51 0.00 0.00 37.83 35.13 3hkz s LYS 188 CO 0.01 0.27 -0.06 0.42 -0.36 0.00 0.00 175.35 175.63 3hkz s ILE 189 N -0.91 0.42 -0.45 5.43 1.01 0.81 -1.55 121.20 125.96 3hkz s ILE 189 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 60.65 60.11 3hkz s ILE 189 Cb -0.08 -0.43 0.12 0.00 0.01 0.00 0.00 42.46 42.08 3hkz s ILE 189 CO 0.02 -0.14 0.21 -0.63 0.00 0.00 0.00 174.94 174.40 3hkz s ILE 190 N -0.72 2.16 0.31 2.92 -1.09 -1.20 -2.21 121.20 121.38 3hkz s ILE 190 Ca -0.04 -2.85 -0.28 0.00 -2.23 0.00 0.00 60.65 55.25 3hkz s ILE 190 Cb -0.06 -2.52 -0.09 0.00 -1.58 0.00 0.00 42.46 38.20 3hkz s ILE 190 CO 0.00 -0.78 1.07 -0.94 -1.23 0.00 0.00 174.94 173.07 3hkz s SER 191 N 0.19 7.16 0.10 3.58 1.04 -1.17 0.38 113.70 124.98 3hkz s SER 191 Ca 0.16 2.18 0.00 0.00 0.48 0.00 0.00 55.95 58.77 3hkz s SER 191 Cb -0.24 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.27 3hkz s SER 191 CO -0.03 -0.21 0.00 -1.54 0.98 0.00 0.00 173.24 172.44 3hkz n SER 192 N 0.87 1.03 0.00 7.02 3.41 -1.26 -2.81 113.62 121.88 3hkz n SER 192 Ca 0.00 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 3hkz n SER 192 Cb 0.46 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3hkz n SER 192 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3hkz n THR 193 N -3.47 0.00 0.00 6.66 -2.24 -1.26 -3.07 114.28 110.90 3hkz n THR 193 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3hkz n THR 193 Cb 0.03 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 3hkz n THR 193 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hkz n ALA 194 N 0.00 0.00 -1.63 6.98 0.00 -1.24 -4.70 120.51 119.91 3hkz n ALA 194 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3hkz n ALA 194 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 3hkz n ALA 194 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkz n GLY 195 N -1.45 1.95 0.00 0.00 0.00 -1.26 -5.00 105.19 99.42 3hkz n GLY 195 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3hkz n GLY 195 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 196 N -0.50 0.00 -1.13 1.61 4.02 -1.26 -5.08 117.16 114.82 3hkz n TYR 196 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3hkz n TYR 196 Cb 0.67 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.99 3hkz n TYR 196 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3hkz n ARG 197 N 0.00 3.68 -3.16 -0.72 1.74 -1.26 -5.10 116.66 111.84 3hkz n ARG 197 Ca 0.00 0.00 -0.21 0.00 -0.77 0.00 0.00 57.85 56.87 3hkz n ARG 197 Cb 0.00 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.39 3hkz n ARG 197 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hkz n VAL 198 N 0.00 -0.52 -2.28 1.55 0.31 -1.26 -4.69 118.33 111.44 3hkz n VAL 198 Ca 0.00 -4.01 -0.25 0.00 -0.01 0.00 0.00 64.34 60.07 3hkz n VAL 198 Cb 0.00 -1.30 0.15 0.00 -0.91 0.00 0.00 33.84 31.78 3hkz n VAL 198 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3hkz n PRO 199 N 1.10 -0.59 -3.78 5.55 -0.02 -1.17 -5.00 135.00 131.09 3hkz n PRO 199 Ca 0.21 -2.33 -0.30 0.00 -2.02 0.00 0.00 63.50 59.07 3hkz n PRO 199 Cb 0.57 -0.93 -0.15 0.00 -0.02 0.00 0.00 33.50 32.97 3hkz n PRO 199 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hkz s VAL 200 N -3.31 1.03 -0.26 -1.45 0.11 -1.26 -4.33 120.40 110.93 3hkz s VAL 200 Ca 0.67 -1.36 -0.08 0.00 -2.93 0.00 0.00 61.98 58.28 3hkz s VAL 200 Cb -0.03 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.10 3hkz s VAL 200 CO 0.46 -0.55 0.11 -0.89 -3.33 0.00 0.00 175.10 170.89 3hkz s THR 201 N 1.56 4.56 0.67 5.04 2.01 -1.12 -5.02 115.64 123.34 3hkz s THR 201 Ca 0.07 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 3hkz s THR 201 Cb -0.18 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.17 3hkz s THR 201 CO -0.19 0.28 1.09 -0.63 -0.69 0.00 0.00 174.62 174.48 3hkz s ILE 202 N 1.65 3.51 -0.19 1.82 1.09 -1.26 -3.03 121.20 124.78 3hkz s ILE 202 Ca 0.06 0.63 -0.05 0.00 -1.10 0.00 0.00 60.65 60.19 3hkz s ILE 202 Cb -0.16 -3.17 0.09 0.00 -1.06 0.00 0.00 42.46 38.16 3hkz s ILE 202 CO 0.06 -0.50 0.36 -1.61 -0.10 0.00 0.00 174.94 173.15 3hkz s GLU 203 N -4.37 0.27 -0.09 2.79 0.41 -0.94 -4.51 118.70 112.27 3hkz s GLU 203 Ca 0.64 0.84 -0.01 0.00 -0.41 0.00 0.00 54.97 56.03 3hkz s GLU 203 Cb -0.18 0.04 0.03 0.00 -1.78 0.00 0.00 34.13 32.24 3hkz s GLU 203 CO 0.45 -0.34 -0.01 1.03 -0.49 0.00 0.00 175.26 175.90 3hkz s ARG 204 N 2.54 0.79 0.03 1.61 0.52 -1.23 -0.14 118.95 123.07 3hkz s ARG 204 Ca 0.02 0.01 -0.04 0.00 -0.52 0.00 0.00 55.73 55.21 3hkz s ARG 204 Cb -0.13 -1.14 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 3hkz s ARG 204 CO -0.12 -0.31 0.24 -0.51 0.02 0.00 0.00 175.30 174.62 3hkz s LEU 205 N 1.92 4.36 0.09 2.53 1.43 0.17 -0.82 118.68 128.35 3hkz s LEU 205 Ca 0.05 0.43 0.06 0.00 -1.03 0.00 0.00 54.13 53.63 3hkz s LEU 205 Cb -0.13 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 3hkz s LEU 205 CO -0.06 0.21 -0.15 -0.54 0.23 0.00 0.00 176.35 176.05 3hkz s LYS 206 N -2.08 0.90 -0.25 1.70 1.02 -0.93 -0.99 119.74 119.10 3hkz s LYS 206 Ca 0.31 -1.06 -0.01 0.00 0.02 0.00 0.00 55.97 55.23 3hkz s LYS 206 Cb -0.13 -0.90 0.08 0.00 -0.52 0.00 0.00 37.83 36.36 3hkz s LYS 206 CO 0.20 0.19 0.05 -0.51 -0.92 0.00 0.00 175.35 174.37 3hkz s ASP 207 N -1.96 3.57 0.00 2.83 1.11 -0.90 -2.69 116.67 118.63 3hkz s ASP 207 Ca 0.02 -1.25 0.00 0.00 0.18 0.00 0.00 52.55 51.50 3hkz s ASP 207 Cb -0.08 -0.81 0.00 0.00 1.07 0.00 0.00 42.92 43.09 3hkz s ASP 207 CO 0.03 -0.35 0.00 0.61 1.18 0.00 0.00 175.17 176.64 3hkz n GLY 208 N 4.90 0.19 0.00 0.21 0.00 -1.26 0.58 105.19 109.81 3hkz n GLY 208 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3hkz n GLY 208 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 209 N 0.00 0.00 -2.04 2.61 -1.04 -1.26 -4.89 114.28 107.66 3hkz n THR 209 Ca 0.00 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.05 61.99 3hkz n THR 209 Cb 0.00 0.50 -0.01 0.00 -1.82 0.00 0.00 70.33 69.00 3hkz n THR 209 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3hkz n PHE 210 N -0.06 -3.54 -3.66 -1.42 3.01 -1.25 -4.43 117.46 106.11 3hkz n PHE 210 Ca 0.00 2.10 -0.18 0.00 1.01 0.00 0.00 57.45 60.37 3hkz n PHE 210 Cb 0.00 -3.36 -0.16 0.00 -0.01 0.00 0.00 39.48 35.95 3hkz n PHE 210 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 3hkz s HIS 211 N -0.45 -0.09 -0.75 1.38 3.76 -1.09 -2.63 115.29 115.42 3hkz s HIS 211 Ca -0.03 0.44 -0.20 0.00 -0.15 0.00 0.00 55.06 55.11 3hkz s HIS 211 Cb 0.00 -0.36 0.11 0.00 1.11 0.00 0.00 32.58 33.44 3hkz s HIS 211 CO 0.09 -0.27 0.95 0.08 -0.85 0.00 0.00 174.74 174.74 3hkz s VAL 212 N 2.25 4.65 0.54 -0.90 1.01 0.13 -2.19 120.40 125.89 3hkz s VAL 212 Ca 0.04 -1.05 -0.18 0.00 0.00 0.00 0.00 61.98 60.79 3hkz s VAL 212 Cb -0.12 -4.66 -0.06 0.00 0.00 0.00 0.00 36.38 31.53 3hkz s VAL 212 CO -0.05 -1.38 1.04 -0.94 0.00 0.00 0.00 175.10 173.77 3hkz s SER 213 N 3.58 6.08 -0.06 3.32 1.04 -0.00 -3.47 113.70 124.19 3hkz s SER 213 Ca 0.23 1.84 -0.04 0.00 0.48 0.00 0.00 55.95 58.46 3hkz s SER 213 Cb -0.14 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.46 3hkz s SER 213 CO 0.01 -0.96 0.14 0.12 0.98 0.00 0.00 173.24 173.53 3hkz s PHE 214 N -2.29 -0.15 0.77 5.02 5.36 -1.26 -3.48 117.98 121.94 3hkz s PHE 214 Ca 0.65 0.40 -0.11 0.00 -0.96 0.00 0.00 56.93 56.91 3hkz s PHE 214 Cb -0.16 0.01 0.05 0.00 -0.34 0.00 0.00 43.02 42.59 3hkz s PHE 214 CO 0.30 -0.10 1.08 -1.25 -1.46 0.00 0.00 175.22 173.79 3hkz s PRO 215 N 0.42 2.33 0.00 10.12 0.04 -1.26 -4.01 135.00 142.65 3hkz s PRO 215 Ca -0.03 0.80 0.00 0.00 0.04 0.00 0.00 61.00 61.81 3hkz s PRO 215 Cb -0.04 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.56 3hkz s PRO 215 CO -0.02 -1.49 0.00 0.00 0.04 0.00 0.00 177.00 175.53 3hkz n ALA 216 N -3.37 0.00 -2.42 8.56 0.00 -1.26 -4.84 120.51 117.17 3hkz n ALA 216 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.08 3hkz n ALA 216 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.98 3hkz n ALA 216 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hkz s VAL 217 N 0.00 4.12 1.04 0.00 1.01 -1.26 -5.03 120.40 120.29 3hkz s VAL 217 Ca 0.00 1.26 -0.16 0.00 0.00 0.00 0.00 61.98 63.08 3hkz s VAL 217 Cb 0.00 -4.18 0.21 0.00 0.00 0.00 0.00 36.38 32.41 3hkz s VAL 217 CO 0.00 -0.52 1.16 -2.84 0.00 0.00 0.00 175.10 172.90 3hkz s PRO 218 N 4.25 0.11 1.13 2.72 0.02 -1.26 -4.34 135.00 137.62 3hkz s PRO 218 Ca 0.56 0.03 0.00 0.00 0.02 0.00 0.00 61.00 61.61 3hkz s PRO 218 Cb -0.16 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.62 3hkz s PRO 218 CO 0.24 -2.84 0.00 0.41 -0.33 0.00 0.00 177.00 174.48 3hkz n GLY 219 N -2.00 -1.63 2.94 0.52 0.00 -1.26 -4.89 105.19 98.86 3hkz n GLY 219 Ca 0.11 -1.22 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 3hkz n GLY 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 220 N -0.56 1.54 -0.27 1.61 1.02 -1.26 -4.47 119.74 117.34 3hkz s LYS 220 Ca 0.00 -0.29 -0.16 0.00 0.02 0.00 0.00 55.97 55.54 3hkz s LYS 220 Cb 0.00 -1.50 -0.03 0.00 -0.52 0.00 0.00 37.83 35.78 3hkz s LYS 220 CO 0.00 -0.18 0.45 0.42 -0.92 0.00 0.00 175.35 175.12 3hkz s ILE 221 N 1.39 5.12 -0.10 2.17 -1.09 -1.23 -4.93 121.20 122.54 3hkz s ILE 221 Ca -0.01 0.68 -0.29 0.00 -2.23 0.00 0.00 60.65 58.80 3hkz s ILE 221 Cb -0.13 -3.78 -0.06 0.00 -1.58 0.00 0.00 42.46 36.91 3hkz s ILE 221 CO -0.05 0.09 1.93 -2.84 -1.23 0.00 0.00 174.94 172.84 3hkz s PRO 222 N 2.20 3.80 0.02 2.79 0.02 -1.26 0.22 135.00 142.79 3hkz s PRO 222 Ca 0.18 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 3hkz s PRO 222 Cb -0.16 -4.17 0.01 0.00 0.02 0.00 0.00 34.50 30.20 3hkz s PRO 222 CO 0.10 -1.32 0.15 0.34 -0.33 0.00 0.00 177.00 175.93 3hkz n PHE 223 N 8.80 -0.01 -0.20 6.54 7.35 -1.08 -1.08 117.46 137.79 3hkz n PHE 223 Ca 0.22 0.12 -0.07 0.00 -0.76 0.00 0.00 57.45 56.96 3hkz n PHE 223 Cb 0.43 -0.52 0.03 0.00 0.35 0.00 0.00 39.48 39.77 3hkz n PHE 223 CO 0.00 0.00 0.00 -0.24 -0.76 0.00 0.00 176.76 175.76 3hkz h VAL 224 N 0.00 1.17 -0.28 -2.13 3.04 -1.86 -0.10 116.25 116.10 3hkz h VAL 224 Ca 0.03 -0.41 0.05 0.00 -1.01 0.00 0.00 66.70 65.36 3hkz h VAL 224 Cb 0.05 0.41 -0.05 0.00 -2.01 0.00 0.00 31.29 29.70 3hkz h VAL 224 CO -0.09 0.18 -0.03 0.40 -1.01 0.00 0.00 177.57 177.02 3hkz h ILE 225 N 0.77 0.76 -0.67 3.17 2.04 -1.43 -2.33 117.51 119.82 3hkz h ILE 225 Ca 0.20 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.04 3hkz h ILE 225 Cb 0.00 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 36.77 3hkz h ILE 225 CO -0.04 0.01 0.36 -0.07 0.00 0.00 0.00 178.15 178.41 3hkz h LEU 226 N 0.04 0.84 -2.84 1.44 3.38 -1.42 0.23 115.31 116.98 3hkz h LEU 226 Ca 0.13 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3hkz h LEU 226 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3hkz h LEU 226 CO -0.25 0.69 0.06 0.23 0.09 0.00 0.00 178.44 179.26 3hkz n MET 227 N -4.52 1.11 0.00 1.13 2.81 -0.12 -2.72 117.12 114.82 3hkz n MET 227 Ca 0.05 -0.23 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 3hkz n MET 227 Cb 0.09 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3hkz n MET 227 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 3hkz n ARG 228 N 1.09 0.00 -0.25 0.03 0.63 -0.54 -4.26 116.66 113.36 3hkz n ARG 228 Ca 0.05 0.00 0.13 0.00 -0.92 0.00 0.00 57.85 57.10 3hkz n ARG 228 Cb 0.53 -0.21 0.40 0.00 0.45 0.00 0.00 32.46 33.63 3hkz n ARG 228 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hkz h ALA 229 N 0.00 1.88 0.08 5.13 0.00 -0.55 0.70 119.26 126.50 3hkz h ALA 229 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3hkz h ALA 229 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3hkz h ALA 229 CO 0.00 -0.11 -0.12 -0.07 0.00 0.00 0.00 179.25 178.95 3hkz h LEU 230 N 0.65 -0.31 0.00 0.00 3.38 -1.77 -3.47 115.31 113.79 3hkz h LEU 230 Ca 0.43 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3hkz h LEU 230 Cb 0.74 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3hkz h LEU 230 CO -0.19 -0.17 0.00 0.61 0.09 0.00 0.00 178.44 178.78 3hkz n GLY 231 N -1.24 0.00 2.84 0.83 0.00 0.22 -4.44 105.19 103.40 3hkz n GLY 231 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 3hkz n GLY 231 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 232 N 0.00 1.27 0.00 -0.61 -1.09 -1.10 -4.97 121.20 114.70 3hkz s ILE 232 Ca 0.00 -1.43 0.00 0.00 -2.23 0.00 0.00 60.65 56.99 3hkz s ILE 232 Cb 0.00 -1.82 0.00 0.00 -1.58 0.00 0.00 42.46 39.06 3hkz s ILE 232 CO 0.00 -0.46 0.05 0.18 -1.23 0.00 0.00 174.94 173.48 3hkz n LEU 233 N 4.71 2.36 -4.69 2.97 4.77 -1.26 -4.20 117.00 121.67 3hkz n LEU 233 Ca -0.04 0.11 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3hkz n LEU 233 Cb 0.43 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.50 3hkz n LEU 233 CO 0.15 -0.07 0.79 0.41 -1.33 0.00 0.00 177.39 177.34 3hkz n THR 234 N -0.71 4.02 -0.13 -5.08 -1.04 -1.26 -4.80 114.28 105.28 3hkz n THR 234 Ca 0.00 -0.50 -0.08 0.00 -2.04 0.00 0.00 64.05 61.43 3hkz n THR 234 Cb 0.00 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.10 3hkz n THR 234 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3hkz h ASP 235 N 0.88 0.46 0.12 8.00 3.32 -1.99 -0.01 116.42 127.21 3hkz h ASP 235 Ca -0.50 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.54 3hkz h ASP 235 Cb 1.34 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3hkz h ASP 235 CO 0.54 0.34 0.00 0.54 -1.72 0.00 0.00 179.24 178.93 3hkz n ARG 236 N -4.81 0.01 -0.07 3.56 1.74 -1.26 0.25 116.66 116.08 3hkz n ARG 236 Ca 0.01 0.38 -0.08 0.00 -0.77 0.00 0.00 57.85 57.39 3hkz n ARG 236 Cb 0.03 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 29.93 3hkz n ARG 236 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3hkz h ASP 237 N 0.00 0.00 0.51 0.55 3.32 -1.47 -3.37 116.42 115.96 3hkz h ASP 237 Ca 0.00 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3hkz h ASP 237 Cb 0.06 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3hkz h ASP 237 CO 0.00 0.88 -0.33 0.40 -1.72 0.00 0.00 179.24 178.47 3hkz h ILE 238 N -1.00 0.32 -0.83 0.35 2.04 -0.03 0.51 117.51 118.87 3hkz h ILE 238 Ca -0.07 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.90 3hkz h ILE 238 Cb 0.62 0.32 -0.13 0.00 -0.74 0.00 0.00 36.82 36.89 3hkz h ILE 238 CO -0.04 0.00 -0.45 0.58 0.00 0.00 0.00 178.15 178.24 3hkz h VAL 239 N -0.80 0.04 0.00 1.67 2.07 -0.46 0.62 116.25 119.39 3hkz h VAL 239 Ca -0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.40 3hkz h VAL 239 Cb 0.66 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3hkz h VAL 239 CO 0.05 0.00 -0.30 1.88 0.02 0.00 0.00 177.57 179.21 3hkz h TYR 240 N -0.09 0.00 0.00 1.57 -1.99 -1.71 -2.67 116.97 112.08 3hkz h TYR 240 Ca 0.24 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.91 3hkz h TYR 240 Cb 0.54 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.26 3hkz h TYR 240 CO -0.84 0.30 -0.30 0.00 -0.00 0.00 0.00 178.16 177.32 3hkz h ALA 241 N 1.70 1.17 0.38 3.88 0.00 0.24 -3.30 119.26 123.33 3hkz h ALA 241 Ca -0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 3hkz h ALA 241 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3hkz h ALA 241 CO 0.04 0.38 -0.18 0.28 0.00 0.00 0.00 179.25 179.77 3hkz h VAL 242 N 0.00 0.00 -2.37 0.00 2.07 -0.39 -3.39 116.25 112.17 3hkz h VAL 242 Ca -0.00 -0.40 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 3hkz h VAL 242 Cb 0.69 0.00 -0.23 0.00 -1.52 0.00 0.00 31.29 30.23 3hkz h VAL 242 CO 0.04 0.00 -0.06 -0.94 0.02 0.00 0.00 177.57 176.63 3hkz s SER 243 N -4.28 -0.61 -0.26 0.57 1.04 -1.22 -3.94 113.70 105.01 3hkz s SER 243 Ca -0.07 1.15 -0.13 0.00 0.48 0.00 0.00 55.95 57.37 3hkz s SER 243 Cb 0.01 1.15 -0.04 0.00 0.10 0.00 0.00 66.02 67.23 3hkz s SER 243 CO 0.22 -0.20 0.29 -0.76 0.98 0.00 0.00 173.24 173.77 3hkz s LEU 244 N 0.45 4.06 -1.27 2.42 1.43 -1.26 -4.36 118.68 120.15 3hkz s LEU 244 Ca -0.01 0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 3hkz s LEU 244 Cb -0.04 -2.29 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 3hkz s LEU 244 CO -0.01 -0.09 0.72 -0.67 0.23 0.00 0.00 176.35 176.53 3hkz n ASP 245 N 4.99 -2.11 -0.05 2.29 -0.08 -1.26 -4.41 116.55 115.92 3hkz n ASP 245 Ca -0.11 -0.84 -0.06 0.00 -1.51 0.00 0.00 54.79 52.27 3hkz n ASP 245 Cb 0.51 -4.04 -0.09 0.00 2.34 0.00 0.00 41.12 39.85 3hkz n ASP 245 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3hkz n PRO 246 N -4.18 2.17 0.00 -0.67 -0.04 -1.26 -4.18 135.00 126.84 3hkz n PRO 246 Ca -0.26 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.20 3hkz n PRO 246 Cb 0.66 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 3hkz n PRO 246 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3hkz n GLU 247 N -2.42 0.00 0.33 0.54 1.02 -1.26 -4.46 120.64 114.39 3hkz n GLU 247 Ca -0.18 0.00 0.17 0.00 -0.02 0.00 0.00 57.16 57.13 3hkz n GLU 247 Cb 0.85 -2.65 0.91 0.00 -0.02 0.00 0.00 31.44 30.54 3hkz n GLU 247 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3hkz h VAL 248 N 0.00 0.02 0.23 2.62 2.07 -1.97 -1.34 116.25 117.88 3hkz h VAL 248 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3hkz h VAL 248 Cb 0.00 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3hkz h VAL 248 CO 0.00 0.00 -0.11 0.06 0.02 0.00 0.00 177.57 177.54 3hkz h GLN 249 N 0.00 -0.29 -1.49 1.57 3.07 -1.91 -3.32 115.11 112.73 3hkz h GLN 249 Ca 0.01 0.02 0.49 0.00 0.09 0.00 0.00 58.65 59.25 3hkz h GLN 249 Cb 0.52 0.07 -0.12 0.00 0.08 0.00 0.00 27.48 28.02 3hkz h GLN 249 CO -0.00 -0.20 0.99 -0.91 0.09 0.00 0.00 178.83 178.81 3hkz h ASN 250 N -0.44 0.16 -0.99 0.06 2.35 -1.63 -1.87 115.58 113.22 3hkz h ASN 250 Ca -0.03 0.12 0.19 0.00 -0.55 0.00 0.00 56.30 56.02 3hkz h ASN 250 Cb 0.23 0.11 -0.11 0.00 0.05 0.00 0.00 38.32 38.61 3hkz h ASN 250 CO 0.05 -0.18 0.59 -0.33 -1.65 0.00 0.00 177.43 175.91 3hkz h GLU 251 N 0.03 0.71 -1.79 0.81 5.08 -1.56 -3.18 114.58 114.68 3hkz h GLU 251 Ca 0.87 -0.04 -0.50 0.00 -1.00 0.00 0.00 59.36 58.69 3hkz h GLU 251 Cb 2.96 -0.16 -0.41 0.00 0.50 0.00 0.00 28.75 31.65 3hkz h GLU 251 CO -0.35 0.47 -0.97 1.28 -1.00 0.00 0.00 179.01 178.44 3hkz n LEU 252 N -4.79 2.56 -0.01 1.33 4.77 -0.70 -4.85 117.00 115.31 3hkz n LEU 252 Ca 0.23 -4.95 -0.00 0.00 -0.03 0.00 0.00 56.01 51.26 3hkz n LEU 252 Cb 0.58 0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.78 3hkz n LEU 252 CO 0.21 2.15 -0.55 0.49 -1.33 0.00 0.00 177.39 178.36 3hkz n PHE 253 N -0.06 0.00 -0.08 -1.77 3.01 -1.20 -4.68 117.46 112.68 3hkz n PHE 253 Ca 0.25 0.00 -0.08 0.00 1.01 0.00 0.00 57.45 58.63 3hkz n PHE 253 Cb 0.62 -0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 40.01 3hkz n PHE 253 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3hkz h PRO 254 N 0.00 0.33 -1.25 -1.08 0.13 -1.89 -2.82 132.00 125.41 3hkz h PRO 254 Ca -0.03 -0.02 0.40 0.00 -0.87 0.00 0.00 66.00 65.48 3hkz h PRO 254 Cb 0.71 -0.07 -0.12 0.00 0.13 0.00 0.00 31.00 31.64 3hkz h PRO 254 CO 0.00 0.22 0.80 0.66 -0.23 0.00 0.00 178.00 179.45 3hkz h SER 255 N 0.34 0.29 -0.17 1.44 4.64 -1.90 0.40 113.55 118.59 3hkz h SER 255 Ca 0.12 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 3hkz h SER 255 Cb 0.01 0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 3hkz h SER 255 CO -0.06 -0.14 0.09 -0.07 -0.87 0.00 0.00 176.83 175.78 3hkz h LEU 256 N 0.14 0.21 -1.28 5.97 3.38 -1.71 -2.41 115.31 119.61 3hkz h LEU 256 Ca 0.78 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.66 3hkz h LEU 256 Cb 2.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 43.05 3hkz h LEU 256 CO -0.41 0.24 0.00 -0.62 0.09 0.00 0.00 178.44 177.73 3hkz n GLU 257 N -4.92 0.61 -0.38 1.13 1.02 0.14 -3.85 120.64 114.39 3hkz n GLU 257 Ca -0.04 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.08 3hkz n GLU 257 Cb 0.07 -1.27 0.03 0.00 -0.02 0.00 0.00 31.44 30.25 3hkz n GLU 257 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 3hkz h GLN 258 N 0.50 -0.01 -4.78 3.49 4.15 -1.44 -3.24 115.11 113.78 3hkz h GLN 258 Ca 0.00 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.74 3hkz h GLN 258 Cb 0.39 0.00 -0.32 0.00 0.21 0.00 0.00 27.48 27.76 3hkz h GLN 258 CO 0.00 -0.01 -0.69 0.00 -1.93 0.00 0.00 178.83 176.20 3hkz s ALA 259 N -5.93 2.83 -1.45 3.38 0.00 -1.25 -4.85 121.76 114.49 3hkz s ALA 259 Ca -0.14 -1.70 0.15 0.00 0.00 0.00 0.00 51.96 50.27 3hkz s ALA 259 Cb 0.20 -1.95 0.34 0.00 0.00 0.00 0.00 23.12 21.71 3hkz s ALA 259 CO 0.71 -1.19 1.25 -1.13 0.00 0.00 0.00 175.76 175.40 3hkz n SER 260 N 4.66 3.01 0.00 0.00 3.41 -1.23 -4.59 113.62 118.88 3hkz n SER 260 Ca -0.14 -1.90 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 3hkz n SER 260 Cb 0.44 -0.23 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3hkz n SER 260 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hkz n SER 261 N 0.89 0.00 -4.19 4.04 7.64 -1.26 -4.33 113.62 116.41 3hkz n SER 261 Ca 0.14 -0.08 -0.38 0.00 1.01 0.00 0.00 58.87 59.56 3hkz n SER 261 Cb 0.46 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.55 3hkz n SER 261 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hkz s ILE 262 N -2.00 3.64 -0.10 0.44 1.09 -1.26 -4.97 121.20 118.03 3hkz s ILE 262 Ca 0.01 -1.67 0.01 0.00 -1.10 0.00 0.00 60.65 57.90 3hkz s ILE 262 Cb 0.01 -3.31 -0.25 0.00 -1.06 0.00 0.00 42.46 37.85 3hkz s ILE 262 CO 0.01 -0.52 0.42 0.00 -0.10 0.00 0.00 174.94 174.75 3hkz n ALA 263 N 4.74 1.14 -2.36 9.38 0.00 -1.26 -4.97 120.51 127.17 3hkz n ALA 263 Ca -0.07 -0.70 -0.25 0.00 0.00 0.00 0.00 53.44 52.41 3hkz n ALA 263 Cb 0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.17 3hkz n ALA 263 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3hkz s ASN 264 N -6.64 4.69 0.08 0.00 0.01 -1.26 -5.01 114.94 106.81 3hkz s ASN 264 Ca -0.17 -1.15 -0.13 0.00 -0.71 0.00 0.00 52.86 50.71 3hkz s ASN 264 Cb 0.07 0.21 -0.22 0.00 0.41 0.00 0.00 41.25 41.72 3hkz s ASN 264 CO 0.78 -1.01 1.20 0.58 -1.51 0.00 0.00 177.10 177.14 3hkz h VAL 265 N 0.82 1.30 -0.30 1.60 2.07 -1.95 -2.97 116.25 116.80 3hkz h VAL 265 Ca -0.38 -2.30 -0.10 0.00 0.82 0.00 0.00 66.70 64.74 3hkz h VAL 265 Cb 1.29 2.42 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 3hkz h VAL 265 CO 0.58 0.71 -0.20 0.44 0.02 0.00 0.00 177.57 179.11 3hkz h ASP 266 N 0.36 0.70 -0.03 0.57 3.32 -1.96 -2.94 116.42 116.45 3hkz h ASP 266 Ca -0.13 -0.43 0.01 0.00 0.02 0.00 0.00 57.03 56.49 3hkz h ASP 266 Cb 1.71 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 41.06 3hkz h ASP 266 CO 0.20 0.99 0.02 0.44 -1.72 0.00 0.00 179.24 179.17 3hkz h ASP 267 N 0.42 0.00 1.18 6.45 5.19 -1.95 -1.63 116.42 126.08 3hkz h ASP 267 Ca 0.06 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.47 3hkz h ASP 267 Cb 0.75 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.26 3hkz h ASP 267 CO 0.06 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.18 3hkz n ALA 268 N -2.46 2.08 0.57 3.45 0.00 -1.12 -2.49 120.51 120.55 3hkz n ALA 268 Ca -0.02 -0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 3hkz n ALA 268 Cb 0.12 -1.44 0.14 0.00 0.00 0.00 0.00 19.45 18.27 3hkz n ALA 268 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 269 N -2.15 3.00 -0.10 0.00 4.77 -0.63 -4.09 117.00 117.80 3hkz n LEU 269 Ca 0.05 -1.25 -0.19 0.00 -0.03 0.00 0.00 56.01 54.58 3hkz n LEU 269 Cb 0.35 -0.11 -0.12 0.00 -2.33 0.00 0.00 43.42 41.21 3hkz n LEU 269 CO 0.26 0.59 -1.22 0.47 -1.33 0.00 0.00 177.39 176.16 3hkz n ASP 270 N 1.24 2.01 0.00 -1.43 8.00 -1.05 -0.88 116.55 124.45 3hkz n ASP 270 Ca 0.15 -0.03 0.08 0.00 0.71 0.00 0.00 54.79 55.70 3hkz n ASP 270 Cb 0.54 -0.54 0.45 0.00 -0.02 0.00 0.00 41.12 41.55 3hkz n ASP 270 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hkz n PHE 271 N -3.37 0.00 0.00 1.24 3.01 -1.04 -2.71 117.46 114.60 3hkz n PHE 271 Ca -0.43 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.03 3hkz n PHE 271 Cb 1.00 -0.15 0.00 0.00 -0.01 0.00 0.00 39.48 40.32 3hkz n PHE 271 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3hkz n ILE 272 N -1.15 0.00 -0.35 4.37 5.41 -1.26 -4.81 119.36 121.57 3hkz n ILE 272 Ca 0.10 0.00 0.13 0.00 1.00 0.00 0.00 62.75 63.98 3hkz n ILE 272 Cb 0.09 -1.33 0.33 0.00 -0.71 0.00 0.00 39.64 38.02 3hkz n ILE 272 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hkz h GLY 273 N 0.00 1.79 2.00 7.39 0.00 -1.02 -0.94 103.07 112.29 3hkz h GLY 273 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3hkz h GLY 273 CO 0.00 -0.08 0.00 1.48 0.00 0.00 0.00 176.54 177.94 3hkz h SER 274 N 0.75 0.00 -0.12 0.19 4.64 -1.74 -2.33 113.55 114.93 3hkz h SER 274 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3hkz h SER 274 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3hkz h SER 274 CO -0.39 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.11 3hkz n ARG 275 N -2.98 1.68 0.00 4.77 1.74 -0.36 -4.59 116.66 116.92 3hkz n ARG 275 Ca -0.02 -0.60 0.00 0.00 -0.77 0.00 0.00 57.85 56.46 3hkz n ARG 275 Cb 0.13 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3hkz n ARG 275 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3hkz n VAL 276 N 0.08 0.00 -2.89 1.55 0.31 -0.88 -4.43 118.33 112.08 3hkz n VAL 276 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.97 3hkz n VAL 276 Cb 0.37 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.26 3hkz n VAL 276 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkz s ALA 277 N -2.54 3.42 0.18 3.52 0.00 -1.26 -5.04 121.76 120.05 3hkz s ALA 277 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.82 3hkz s ALA 277 Cb 0.00 -3.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3hkz s ALA 277 CO 0.00 -0.47 0.92 0.42 0.00 0.00 0.00 175.76 176.63 3hkz s ILE 278 N 1.68 4.27 0.00 0.00 -1.09 -1.26 -4.29 121.20 120.51 3hkz s ILE 278 Ca 0.41 2.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.84 3hkz s ILE 278 Cb -0.18 -4.29 0.00 0.00 -1.58 0.00 0.00 42.46 36.41 3hkz s ILE 278 CO 0.16 0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 3hkz n GLY 279 N 1.77 0.50 3.83 6.18 0.00 -1.26 -5.09 105.19 111.12 3hkz n GLY 279 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 3hkz n GLY 279 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hkz s GLN 280 N -0.71 3.67 0.54 1.61 -0.21 -1.26 -4.98 119.66 118.32 3hkz s GLN 280 Ca 0.00 1.06 -0.18 0.00 0.02 0.00 0.00 55.36 56.26 3hkz s GLN 280 Cb 0.00 -2.09 -0.14 0.00 1.00 0.00 0.00 33.01 31.78 3hkz s GLN 280 CO 0.00 -0.51 -0.10 1.63 -2.12 0.00 0.00 175.29 174.18 3hkz n LYS 281 N -1.81 0.05 -0.32 2.91 5.02 -1.26 -4.52 118.16 118.22 3hkz n LYS 281 Ca 0.07 0.02 0.13 0.00 -2.02 0.00 0.00 58.31 56.51 3hkz n LYS 281 Cb 0.53 -1.07 0.35 0.00 -0.02 0.00 0.00 35.03 34.83 3hkz n LYS 281 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkz h ARG 282 N -0.05 0.70 -0.00 1.97 2.47 -2.01 0.26 114.38 117.71 3hkz h ARG 282 Ca -0.42 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 3hkz h ARG 282 Cb 1.43 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.60 3hkz h ARG 282 CO 0.41 0.47 -0.36 0.39 0.56 0.00 0.00 179.97 181.43 3hkz n GLU 283 N -4.66 0.09 0.02 0.04 4.71 -1.26 -3.67 120.64 115.91 3hkz n GLU 283 Ca 0.21 -0.04 0.13 0.00 -0.01 0.00 0.00 57.16 57.44 3hkz n GLU 283 Cb 0.55 -1.50 0.35 0.00 -1.01 0.00 0.00 31.44 29.83 3hkz n GLU 283 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3hkz n ASN 284 N -1.42 0.44 0.13 1.62 4.13 0.81 -3.42 115.26 117.55 3hkz n ASN 284 Ca 0.07 0.12 0.02 0.00 1.68 0.00 0.00 54.58 56.47 3hkz n ASN 284 Cb 0.33 -0.08 0.02 0.00 -1.54 0.00 0.00 39.78 38.51 3hkz n ASN 284 CO 0.00 0.00 0.00 0.03 0.28 0.00 0.00 177.26 177.57 3hkz h ARG 285 N 0.00 0.00 0.21 3.52 3.08 -1.38 -3.38 114.38 116.43 3hkz h ARG 285 Ca 0.00 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 59.77 3hkz h ARG 285 Cb 0.58 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.66 3hkz h ARG 285 CO 0.00 0.54 -1.24 0.82 -1.07 0.00 0.00 179.97 179.02 3hkz h ILE 286 N 0.00 1.35 -0.29 2.04 1.08 -1.73 -3.30 117.51 116.67 3hkz h ILE 286 Ca -0.01 -2.63 -0.09 0.00 -0.39 0.00 0.00 64.86 61.74 3hkz h ILE 286 Cb 1.40 3.10 -0.01 0.00 -3.07 0.00 0.00 36.82 38.24 3hkz h ILE 286 CO 0.07 0.78 -0.19 -0.33 -0.69 0.00 0.00 178.15 177.79 3hkz h GLU 287 N -0.05 0.63 -0.98 2.37 5.08 -1.74 0.42 114.58 120.30 3hkz h GLU 287 Ca -0.22 -0.30 -0.14 0.00 -1.00 0.00 0.00 59.36 57.70 3hkz h GLU 287 Cb 1.97 -0.01 -0.08 0.00 0.50 0.00 0.00 28.75 31.13 3hkz h GLU 287 CO 0.23 0.89 0.18 1.17 -1.00 0.00 0.00 179.01 180.47 3hkz n LYS 288 N -4.37 1.48 0.00 2.33 4.81 -1.26 -1.77 118.16 119.39 3hkz n LYS 288 Ca -0.04 -0.93 0.00 0.00 -0.87 0.00 0.00 58.31 56.47 3hkz n LYS 288 Cb 0.40 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.05 3hkz n LYS 288 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hkz n ALA 289 N 0.02 1.57 0.07 3.14 0.00 -0.87 -4.69 120.51 119.75 3hkz n ALA 289 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.58 3hkz n ALA 289 Cb 0.83 0.14 -0.07 0.00 0.00 0.00 0.00 19.45 20.35 3hkz n ALA 289 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hkz h GLN 290 N 0.00 0.00 0.12 0.00 4.20 0.01 -3.37 115.11 116.07 3hkz h GLN 290 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 3hkz h GLN 290 Cb 0.56 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 3hkz h GLN 290 CO 0.00 0.65 -1.57 1.96 -0.67 0.00 0.00 178.83 179.20 3hkz h GLN 291 N 0.00 0.25 -1.96 1.46 4.20 -1.59 -3.21 115.11 114.26 3hkz h GLN 291 Ca -0.07 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.22 3hkz h GLN 291 Cb 1.65 0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.59 3hkz h GLN 291 CO 0.09 1.20 0.00 -0.89 -0.67 0.00 0.00 178.83 178.56 3hkz n ILE 292 N -3.83 0.80 0.00 2.54 5.41 -1.26 -1.97 119.36 121.06 3hkz n ILE 292 Ca -0.27 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.29 3hkz n ILE 292 Cb 0.94 -1.16 0.00 0.00 -0.71 0.00 0.00 39.64 38.71 3hkz n ILE 292 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 3hkz n ILE 293 N 1.69 0.00 -0.03 1.39 2.08 -1.22 -4.51 119.36 118.77 3hkz n ILE 293 Ca 0.00 0.00 -0.16 0.00 0.56 0.00 0.00 62.75 63.15 3hkz n ILE 293 Cb 0.21 -0.21 -0.08 0.00 -0.75 0.00 0.00 39.64 38.81 3hkz n ILE 293 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hkz h ASP 294 N 0.00 0.63 0.16 4.38 3.32 -1.43 -3.36 116.42 120.12 3hkz h ASP 294 Ca 0.00 -0.63 -0.36 0.00 0.02 0.00 0.00 57.03 56.06 3hkz h ASP 294 Cb 0.13 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3hkz h ASP 294 CO 0.00 1.16 -2.08 2.29 -1.72 0.00 0.00 179.24 178.89 3hkz n LYS 295 N -4.23 0.70 -3.74 3.56 2.85 -0.83 -3.88 118.16 112.60 3hkz n LYS 295 Ca -0.08 0.22 -0.37 0.00 -1.05 0.00 0.00 58.31 57.04 3hkz n LYS 295 Cb 0.59 -1.67 -0.10 0.00 -0.65 0.00 0.00 35.03 33.20 3hkz n LYS 295 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3hkz s TYR 296 N -2.55 3.50 0.00 5.58 1.51 -1.25 -4.57 117.35 119.56 3hkz s TYR 296 Ca -0.20 -2.53 0.00 0.00 -1.01 0.00 0.00 57.07 53.33 3hkz s TYR 296 Cb 0.07 -3.23 0.00 0.00 -0.11 0.00 0.00 41.96 38.69 3hkz s TYR 296 CO 0.75 -0.91 0.00 0.34 -1.11 0.00 0.00 175.55 174.62 3hkz n PHE 297 N 4.08 0.00 -3.24 2.71 7.35 -1.26 -3.61 117.46 123.50 3hkz n PHE 297 Ca 0.02 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.61 3hkz n PHE 297 Cb 0.40 0.00 0.03 0.00 0.35 0.00 0.00 39.48 40.26 3hkz n PHE 297 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3hkz n LEU 298 N 0.00 -5.67 -0.75 -2.13 4.77 -1.26 -4.77 117.00 107.20 3hkz n LEU 298 Ca 0.00 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3hkz n LEU 298 Cb 0.00 -3.08 0.00 0.00 -2.33 0.00 0.00 43.42 38.01 3hkz n LEU 298 CO 0.00 -0.43 0.05 -2.65 -1.33 0.00 0.00 177.39 173.04 3hkz n PRO 299 N -2.60 0.14 0.00 3.23 -0.02 -1.26 -4.54 135.00 129.95 3hkz n PRO 299 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 3hkz n PRO 299 Cb 0.56 -1.25 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 3hkz n PRO 299 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3hkz n HIS 300 N 0.68 -0.10 -1.67 6.00 8.25 -1.26 -3.73 115.22 123.39 3hkz n HIS 300 Ca 0.00 0.00 -0.47 0.00 -0.26 0.00 0.00 57.72 56.99 3hkz n HIS 300 Cb 0.05 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 3hkz n HIS 300 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hkz n LEU 301 N 0.00 3.53 0.00 2.41 4.77 -1.26 -4.36 117.00 122.08 3hkz n LEU 301 Ca 0.00 0.90 0.00 0.00 -0.03 0.00 0.00 56.01 56.88 3hkz n LEU 301 Cb 0.00 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 3hkz n LEU 301 CO 0.00 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 3hkz n GLY 302 N 4.58 2.26 0.00 -0.72 0.00 -1.26 -4.78 105.19 105.28 3hkz n GLY 302 Ca 0.23 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3hkz n GLY 302 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 303 N 0.00 0.00 -3.45 2.61 -1.04 -1.25 -4.57 114.28 106.58 3hkz n THR 303 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 3hkz n THR 303 Cb 0.00 0.24 -0.06 0.00 -1.82 0.00 0.00 70.33 68.70 3hkz n THR 303 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hkz s SER 304 N 0.00 6.79 0.09 8.00 1.04 -1.26 -4.72 113.70 123.64 3hkz s SER 304 Ca 0.00 0.98 -0.17 0.00 0.48 0.00 0.00 55.95 57.24 3hkz s SER 304 Cb 0.00 -2.25 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 3hkz s SER 304 CO 0.00 0.19 0.95 0.00 0.98 0.00 0.00 173.24 175.36 3hkz n ALA 305 N 1.13 -0.36 0.20 5.32 0.00 -1.26 -0.36 120.51 125.18 3hkz n ALA 305 Ca -0.08 0.48 0.06 0.00 0.00 0.00 0.00 53.44 53.89 3hkz n ALA 305 Cb 0.52 -0.03 0.38 0.00 0.00 0.00 0.00 19.45 20.32 3hkz n ALA 305 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hkz h GLU 306 N 0.00 0.00 -2.29 0.00 5.08 -2.01 -3.34 114.58 112.03 3hkz h GLU 306 Ca 0.09 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.34 3hkz h GLU 306 Cb 0.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3hkz h GLU 306 CO -0.53 0.35 -0.09 -0.25 -1.00 0.00 0.00 179.01 177.49 3hkz n ASP 307 N -3.61 3.55 -0.05 1.42 8.00 0.51 -3.11 116.55 123.26 3hkz n ASP 307 Ca -0.01 -2.14 -0.05 0.00 0.71 0.00 0.00 54.79 53.30 3hkz n ASP 307 Cb 0.46 -0.94 -0.06 0.00 -0.02 0.00 0.00 41.12 40.57 3hkz n ASP 307 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hkz n ARG 308 N 2.54 1.87 -0.22 -1.24 1.74 -1.26 -4.46 116.66 115.63 3hkz n ARG 308 Ca 0.26 0.02 -0.08 0.00 -0.77 0.00 0.00 57.85 57.27 3hkz n ARG 308 Cb 0.59 -1.22 0.03 0.00 -1.02 0.00 0.00 32.46 30.84 3hkz n ARG 308 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3hkz h LYS 309 N 0.00 0.98 -0.08 5.56 1.57 -1.76 -0.24 116.57 122.61 3hkz h LYS 309 Ca -0.24 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3hkz h LYS 309 Cb 1.48 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3hkz h LYS 309 CO -0.00 0.88 0.00 1.63 -0.57 0.00 0.00 179.45 181.38 3hkz n LYS 310 N -4.36 1.18 0.00 3.15 5.02 -1.26 -2.73 118.16 119.16 3hkz n LYS 310 Ca 0.04 -0.28 0.00 0.00 -2.02 0.00 0.00 58.31 56.05 3hkz n LYS 310 Cb 0.23 -1.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3hkz n LYS 310 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3hkz n LYS 311 N -0.28 0.58 0.12 1.97 2.85 -1.10 -4.70 118.16 117.59 3hkz n LYS 311 Ca 0.03 -0.13 -0.01 0.00 -1.05 0.00 0.00 58.31 57.15 3hkz n LYS 311 Cb 0.07 -0.54 0.26 0.00 -0.65 0.00 0.00 35.03 34.17 3hkz n LYS 311 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3hkz h ALA 312 N 0.00 1.19 -0.13 0.58 0.00 -0.84 -3.21 119.26 116.85 3hkz h ALA 312 Ca 0.00 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3hkz h ALA 312 Cb 0.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hkz h ALA 312 CO 0.00 0.56 0.05 1.88 0.00 0.00 0.00 179.25 181.74 3hkz h TYR 313 N 0.13 0.17 0.00 0.00 0.99 -1.84 -3.17 116.97 113.25 3hkz h TYR 313 Ca 0.01 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3hkz h TYR 313 Cb 0.77 -0.06 0.00 0.00 1.00 0.00 0.00 36.73 38.45 3hkz h TYR 313 CO 0.01 0.14 -0.26 0.66 -0.00 0.00 0.00 178.16 178.72 3hkz n TYR 314 N -4.48 0.38 -0.02 4.88 4.02 -1.21 0.20 117.16 120.93 3hkz n TYR 314 Ca -0.01 0.11 -0.13 0.00 -0.01 0.00 0.00 57.90 57.86 3hkz n TYR 314 Cb 0.11 -0.60 -0.08 0.00 -0.02 0.00 0.00 39.34 38.75 3hkz n TYR 314 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hkz h LEU 315 N 0.00 0.12 0.60 7.72 4.07 -1.73 -2.40 115.31 123.70 3hkz h LEU 315 Ca 0.00 -0.39 -0.03 0.00 0.08 0.00 0.00 57.88 57.54 3hkz h LEU 315 Cb 0.62 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.33 3hkz h LEU 315 CO 0.00 0.49 -0.29 0.00 -1.08 0.00 0.00 178.44 177.56 3hkz h ALA 316 N 0.64 -0.81 0.00 1.53 0.00 -1.39 0.94 119.26 120.18 3hkz h ALA 316 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hkz h ALA 316 Cb 0.44 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3hkz h ALA 316 CO 0.01 -0.83 0.00 0.66 0.00 0.00 0.00 179.25 179.09 3hkz n TYR 317 N -5.35 0.00 -0.10 0.00 4.02 0.54 0.22 117.16 116.48 3hkz n TYR 317 Ca -0.12 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.63 3hkz n TYR 317 Cb 0.35 0.00 -0.09 0.00 -0.02 0.00 0.00 39.34 39.58 3hkz n TYR 317 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hkz n ALA 318 N -0.81 1.59 -0.29 -0.72 0.00 -0.90 -4.57 120.51 114.81 3hkz n ALA 318 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 3hkz n ALA 318 Cb 0.02 0.07 0.07 0.00 0.00 0.00 0.00 19.45 19.61 3hkz n ALA 318 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3hkz h ILE 319 N -0.07 1.21 0.00 0.00 1.08 0.53 -0.99 117.51 119.28 3hkz h ILE 319 Ca -0.44 -0.44 -0.04 0.00 -0.39 0.00 0.00 64.86 63.55 3hkz h ILE 319 Cb 1.66 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 3hkz h ILE 319 CO -0.09 0.22 0.01 -1.54 -0.69 0.00 0.00 178.15 176.05 3hkz n SER 320 N -4.50 2.90 0.00 1.72 3.41 0.99 0.10 113.62 118.25 3hkz n SER 320 Ca 0.08 -1.88 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 3hkz n SER 320 Cb 0.04 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.30 3hkz n SER 320 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hkz n LYS 321 N 2.14 0.00 -0.10 4.33 4.76 -0.43 -4.47 118.16 124.40 3hkz n LYS 321 Ca 0.10 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.34 3hkz n LYS 321 Cb 0.37 -0.10 -0.11 0.00 -1.84 0.00 0.00 35.03 33.36 3hkz n LYS 321 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 3hkz h VAL 322 N 0.00 0.89 -0.64 -0.18 2.07 -0.69 -3.35 116.25 114.35 3hkz h VAL 322 Ca 0.00 -2.08 -0.02 0.00 0.82 0.00 0.00 66.70 65.42 3hkz h VAL 322 Cb 0.00 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3hkz h VAL 322 CO 0.00 0.30 0.31 0.16 0.02 0.00 0.00 177.57 178.36 3hkz h ILE 323 N -1.00 1.20 0.00 4.57 3.07 0.43 -1.64 117.51 124.14 3hkz h ILE 323 Ca -0.30 -0.56 -0.33 0.00 1.55 0.00 0.00 64.86 65.22 3hkz h ILE 323 Cb 1.21 0.39 0.01 0.00 -0.27 0.00 0.00 36.82 38.15 3hkz h ILE 323 CO -0.18 0.24 2.11 1.21 -1.05 0.00 0.00 178.15 180.48 3hkz n GLU 324 N -4.35 1.91 0.00 0.16 2.13 -1.23 -0.81 120.64 118.44 3hkz n GLU 324 Ca 0.06 -1.29 0.00 0.00 0.66 0.00 0.00 57.16 56.59 3hkz n GLU 324 Cb 0.13 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.51 3hkz n GLU 324 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3hkz n LEU 325 N 3.90 0.00 -0.32 4.31 7.94 -1.03 -4.24 117.00 127.56 3hkz n LEU 325 Ca 0.41 0.00 0.19 0.00 -1.11 0.00 0.00 56.01 55.50 3hkz n LEU 325 Cb 0.21 0.00 0.37 0.00 0.53 0.00 0.00 43.42 44.53 3hkz n LEU 325 CO 0.60 0.00 0.93 0.22 -1.11 0.00 0.00 177.39 178.02 3hkz h TYR 326 N 0.00 0.34 -2.20 1.96 3.20 -0.01 0.89 116.97 121.15 3hkz h TYR 326 Ca 0.00 0.06 -0.59 0.00 3.14 0.00 0.00 58.73 61.33 3hkz h TYR 326 Cb 0.00 0.01 -0.42 0.00 1.54 0.00 0.00 36.73 37.86 3hkz h TYR 326 CO 0.00 -0.36 -0.63 -0.11 -1.64 0.00 0.00 178.16 175.42 3hkz n LEU 327 N -5.33 3.74 -3.24 2.82 0.00 -1.26 -5.02 117.00 108.71 3hkz n LEU 327 Ca 0.27 -5.46 -0.26 0.00 0.00 0.00 0.00 56.01 50.55 3hkz n LEU 327 Cb 0.87 -0.57 0.03 0.00 0.00 0.00 0.00 43.42 43.76 3hkz n LEU 327 CO 0.00 2.13 -0.14 0.61 0.00 0.00 0.00 177.39 179.99 3hkz n GLY 328 N 0.61 -0.45 0.06 -3.96 0.00 0.31 -4.96 105.19 96.80 3hkz n GLY 328 Ca 0.30 1.21 -0.03 0.00 0.00 0.00 0.00 46.02 47.49 3hkz n GLY 328 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz n ARG 329 N -0.24 1.28 0.00 1.61 5.12 -1.26 -4.88 116.66 118.28 3hkz n ARG 329 Ca -0.00 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3hkz n ARG 329 Cb 0.59 -1.38 0.00 0.00 -1.16 0.00 0.00 32.46 30.51 3hkz n ARG 329 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hkz n ARG 330 N -2.43 3.27 -1.34 5.56 1.85 -1.26 -4.30 116.66 118.01 3hkz n ARG 330 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.66 3hkz n ARG 330 Cb 0.84 -0.55 0.00 0.00 -1.05 0.00 0.00 32.46 31.70 3hkz n ARG 330 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3hkz n GLU 331 N -0.36 -3.74 -0.76 2.89 2.13 -1.26 -4.92 120.64 114.61 3hkz n GLU 331 Ca 0.00 2.70 -0.28 0.00 0.66 0.00 0.00 57.16 60.24 3hkz n GLU 331 Cb 0.02 -2.98 -0.03 0.00 0.27 0.00 0.00 31.44 28.73 3hkz n GLU 331 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3hkz n PRO 332 N 0.22 0.00 -1.80 5.31 -0.02 -1.26 -4.81 135.00 132.64 3hkz n PRO 332 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3hkz n PRO 332 Cb 0.00 -0.67 -0.03 0.00 -0.02 0.00 0.00 33.50 32.79 3hkz n PRO 332 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hkz s ASP 333 N -0.24 6.44 -0.50 2.55 1.01 -1.01 -4.94 116.67 119.98 3hkz s ASP 333 Ca 0.41 2.81 -0.27 0.00 0.71 0.00 0.00 52.55 56.22 3hkz s ASP 333 Cb -0.58 -2.61 0.03 0.00 1.01 0.00 0.00 42.92 40.77 3hkz s ASP 333 CO 0.30 -0.91 1.04 -0.62 0.21 0.00 0.00 175.17 175.19 3hkz s ASP 334 N 1.00 6.51 -0.38 0.27 3.68 -1.26 -4.75 116.67 121.74 3hkz s ASP 334 Ca 0.71 0.17 0.02 0.00 2.13 0.00 0.00 52.55 55.57 3hkz s ASP 334 Cb -0.48 -2.50 0.44 0.00 -1.45 0.00 0.00 42.92 38.94 3hkz s ASP 334 CO 0.35 -1.22 1.78 2.29 0.13 0.00 0.00 175.17 178.51 3hkz n LYS 335 N 7.65 2.02 -0.31 4.34 2.85 -1.26 -3.40 118.16 130.06 3hkz n LYS 335 Ca 0.08 -2.27 0.02 0.00 -1.05 0.00 0.00 58.31 55.09 3hkz n LYS 335 Cb 0.49 -1.89 0.03 0.00 -0.65 0.00 0.00 35.03 33.00 3hkz n LYS 335 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3hkz n ASP 336 N -0.58 0.58 -4.64 -5.58 10.43 -1.26 -4.97 116.55 110.53 3hkz n ASP 336 Ca 0.45 -2.05 -0.40 0.00 2.57 0.00 0.00 54.79 55.35 3hkz n ASP 336 Cb 1.13 -0.20 -0.06 0.00 1.84 0.00 0.00 41.12 43.83 3hkz n ASP 336 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 3hkz s HIS 337 N -0.63 3.31 0.00 1.24 2.46 -1.22 -4.89 115.29 115.57 3hkz s HIS 337 Ca 0.06 0.86 0.00 0.00 0.47 0.00 0.00 55.06 56.46 3hkz s HIS 337 Cb 0.06 -2.83 0.00 0.00 -0.13 0.00 0.00 32.58 29.67 3hkz s HIS 337 CO 0.01 -0.28 0.55 0.66 -2.47 0.00 0.00 174.74 173.21 3hkz n TYR 338 N 5.51 0.00 -0.80 3.88 4.02 -1.26 0.99 117.16 129.50 3hkz n TYR 338 Ca -0.01 -0.28 0.00 0.00 -0.01 0.00 0.00 57.90 57.61 3hkz n TYR 338 Cb 0.49 -0.24 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 3hkz n TYR 338 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3hkz n ALA 339 N 1.20 0.00 -0.02 -0.72 0.00 -1.26 -4.30 120.51 115.41 3hkz n ALA 339 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 3hkz n ALA 339 Cb 0.20 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.67 3hkz n ALA 339 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hkz n ASN 340 N 0.00 2.03 -3.63 0.00 5.15 0.28 -4.83 115.26 114.25 3hkz n ASN 340 Ca 0.00 -1.88 -0.18 0.00 -0.60 0.00 0.00 54.58 51.92 3hkz n ASN 340 Cb 0.14 -0.03 -0.16 0.00 -0.53 0.00 0.00 39.78 39.20 3hkz n ASN 340 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3hkz s LYS 341 N -0.89 0.05 0.23 1.20 2.20 -0.97 -4.52 119.74 117.04 3hkz s LYS 341 Ca 0.04 0.40 0.10 0.00 -0.36 0.00 0.00 55.97 56.15 3hkz s LYS 341 Cb 0.02 -0.65 -0.04 0.00 -1.51 0.00 0.00 37.83 35.65 3hkz s LYS 341 CO 0.03 -0.41 -0.08 1.03 -0.36 0.00 0.00 175.35 175.55 3hkz s ARG 342 N 2.27 2.07 0.55 4.03 0.52 -1.18 -4.67 118.95 122.54 3hkz s ARG 342 Ca 0.04 -1.40 0.03 0.00 -0.52 0.00 0.00 55.73 53.88 3hkz s ARG 342 Cb -0.13 -2.09 0.10 0.00 0.52 0.00 0.00 34.95 33.35 3hkz s ARG 342 CO -0.07 0.39 0.76 1.28 0.02 0.00 0.00 175.30 177.68 3hkz n LEU 343 N -0.38 0.00 -3.28 2.53 4.32 -1.26 -1.26 117.00 117.67 3hkz n LEU 343 Ca -0.08 -1.88 -0.03 0.00 -0.02 0.00 0.00 56.01 53.99 3hkz n LEU 343 Cb 0.57 -0.46 -0.05 0.00 -1.62 0.00 0.00 43.42 41.87 3hkz n LEU 343 CO 0.37 -0.81 0.06 -0.13 -1.22 0.00 0.00 177.39 175.67 3hkz s ARG 344 N -4.44 0.46 0.37 3.23 0.52 -1.08 -4.71 118.95 113.30 3hkz s ARG 344 Ca 0.53 0.80 0.04 0.00 -0.52 0.00 0.00 55.73 56.58 3hkz s ARG 344 Cb -0.03 0.08 -0.01 0.00 0.52 0.00 0.00 34.95 35.50 3hkz s ARG 344 CO 0.34 -0.60 0.54 -0.51 0.02 0.00 0.00 175.30 175.09 3hkz s LEU 345 N 2.71 3.87 0.03 2.53 1.02 -1.26 -2.60 118.68 124.97 3hkz s LEU 345 Ca 0.16 0.02 -0.05 0.00 0.02 0.00 0.00 54.13 54.28 3hkz s LEU 345 Cb -0.15 -2.93 -0.01 0.00 0.02 0.00 0.00 46.19 43.12 3hkz s LEU 345 CO -0.18 -0.52 0.57 0.00 0.02 0.00 0.00 176.35 176.24 3hkz n ALA 346 N -1.80 -0.10 0.00 4.21 0.00 -1.26 -1.63 120.51 119.92 3hkz n ALA 346 Ca -0.00 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3hkz n ALA 346 Cb 0.58 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3hkz n ALA 346 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkz n GLY 347 N -1.04 0.00 0.00 0.00 0.00 -1.25 0.33 105.19 103.23 3hkz n GLY 347 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3hkz n GLY 347 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hkz n ASP 348 N 0.00 0.00 -0.04 1.61 3.85 -0.65 -0.33 116.55 120.99 3hkz n ASP 348 Ca 0.00 -0.28 0.02 0.00 -0.71 0.00 0.00 54.79 53.82 3hkz n ASP 348 Cb 0.00 0.00 -0.13 0.00 -1.35 0.00 0.00 41.12 39.64 3hkz n ASP 348 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08 3hkz n LEU 349 N -0.98 0.00 0.06 -2.12 7.94 0.06 -3.42 117.00 118.53 3hkz n LEU 349 Ca 0.06 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.95 3hkz n LEU 349 Cb 0.03 0.16 -0.06 0.00 0.53 0.00 0.00 43.42 44.08 3hkz n LEU 349 CO 0.05 0.16 -0.04 0.15 -1.11 0.00 0.00 177.39 176.60 3hkz h PHE 350 N 0.00 0.00 -0.11 1.96 3.57 0.79 -3.31 116.94 119.84 3hkz h PHE 350 Ca -0.18 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.20 3hkz h PHE 350 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 3hkz h PHE 350 CO 0.00 0.65 -0.40 0.00 -2.23 0.00 0.00 178.31 176.33 3hkz h ALA 351 N 1.35 0.20 0.00 2.41 0.00 -0.81 -0.97 119.26 121.43 3hkz h ALA 351 Ca -0.11 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3hkz h ALA 351 Cb 1.59 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.36 3hkz h ALA 351 CO 0.07 0.31 -0.06 0.77 0.00 0.00 0.00 179.25 180.33 3hkz h SER 352 N 0.05 0.00 0.31 0.00 0.02 -1.72 0.06 113.55 112.26 3hkz h SER 352 Ca -0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3hkz h SER 352 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 3hkz h SER 352 CO 0.09 0.06 -0.15 0.25 -1.14 0.00 0.00 176.83 175.94 3hkz h LEU 353 N 0.00 -0.35 0.10 5.07 5.85 -1.61 -3.29 115.31 121.08 3hkz h LEU 353 Ca -0.00 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3hkz h LEU 353 Cb 0.63 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3hkz h LEU 353 CO 0.01 0.13 -0.36 0.15 -0.34 0.00 0.00 178.44 178.02 3hkz h PHE 354 N -1.05 -1.05 -0.34 1.25 3.04 -0.91 -0.85 116.94 117.03 3hkz h PHE 354 Ca -0.04 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.98 3hkz h PHE 354 Cb 0.43 0.45 -0.05 0.00 2.56 0.00 0.00 35.95 39.33 3hkz h PHE 354 CO 0.03 -0.41 -0.15 -2.13 -2.02 0.00 0.00 178.31 173.63 3hkz n ARG 355 N -4.51 -0.10 0.07 1.11 0.63 -0.01 0.01 116.66 113.86 3hkz n ARG 355 Ca -0.06 0.52 -0.11 0.00 -0.92 0.00 0.00 57.85 57.28 3hkz n ARG 355 Cb 0.28 -0.77 -0.07 0.00 0.45 0.00 0.00 32.46 32.35 3hkz n ARG 355 CO 0.00 0.00 0.00 -0.24 -2.51 0.00 0.00 177.63 174.88 3hkz h VAL 356 N 0.00 0.77 -0.90 5.15 3.04 -1.56 -0.34 116.25 122.40 3hkz h VAL 356 Ca 0.10 -1.04 0.30 0.00 -1.01 0.00 0.00 66.70 65.05 3hkz h VAL 356 Cb 0.19 1.28 -0.17 0.00 -2.01 0.00 0.00 31.29 30.58 3hkz h VAL 356 CO -0.33 0.19 0.22 0.00 -1.01 0.00 0.00 177.57 176.64 3hkz n ALA 357 N -2.57 0.66 0.16 3.17 0.00 0.10 0.12 120.51 122.15 3hkz n ALA 357 Ca -0.08 0.95 -0.11 0.00 0.00 0.00 0.00 53.44 54.21 3hkz n ALA 357 Cb 0.26 -0.80 -0.06 0.00 0.00 0.00 0.00 19.45 18.85 3hkz n ALA 357 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3hkz h PHE 358 N 0.00 -0.42 -0.38 0.00 3.04 -0.93 -3.15 116.94 115.09 3hkz h PHE 358 Ca 0.64 -0.01 0.11 0.00 3.98 0.00 0.00 57.97 62.69 3hkz h PHE 358 Cb 1.52 0.14 -0.02 0.00 2.56 0.00 0.00 35.95 40.15 3hkz h PHE 358 CO -0.27 -0.11 0.78 -0.22 -2.02 0.00 0.00 178.31 176.47 3hkz h LYS 359 N -0.99 0.00 0.10 1.11 1.63 0.27 0.39 116.57 119.08 3hkz h LYS 359 Ca -0.05 0.00 -0.22 0.00 -0.85 0.00 0.00 60.65 59.53 3hkz h LYS 359 Cb 0.50 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 3hkz h LYS 359 CO 0.08 0.00 -1.10 0.00 -3.45 0.00 0.00 179.45 174.98 3hkz h ALA 360 N 0.79 0.09 0.00 5.00 0.00 -1.19 -2.79 119.26 121.16 3hkz h ALA 360 Ca 0.18 -0.93 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 3hkz h ALA 360 Cb 1.75 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.88 3hkz h ALA 360 CO -0.00 0.61 -0.07 0.35 0.00 0.00 0.00 179.25 180.14 3hkz h PHE 361 N -0.44 0.00 0.11 0.00 3.57 -0.24 -2.04 116.94 117.90 3hkz h PHE 361 Ca -0.23 0.00 -0.29 0.00 3.53 0.00 0.00 57.97 60.98 3hkz h PHE 361 Cb 1.62 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.36 3hkz h PHE 361 CO 0.16 0.07 -1.37 0.28 -2.23 0.00 0.00 178.31 175.22 3hkz h VAL 362 N 0.00 1.34 0.00 1.41 2.07 -1.31 -2.32 116.25 117.44 3hkz h VAL 362 Ca -0.00 -2.95 0.00 0.00 0.82 0.00 0.00 66.70 64.57 3hkz h VAL 362 Cb 0.35 2.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3hkz h VAL 362 CO 0.01 0.85 0.00 0.50 0.02 0.00 0.00 177.57 178.95 3hkz h LYS 363 N 0.07 0.00 0.16 1.57 3.64 -1.14 -3.07 116.57 117.80 3hkz h LYS 363 Ca -0.18 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 3hkz h LYS 363 Cb 1.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.81 3hkz h LYS 363 CO 0.18 0.00 -0.08 0.22 -2.27 0.00 0.00 179.45 177.50 3hkz h ASP 364 N 0.00 -0.19 -0.49 4.20 3.58 -1.25 -3.12 116.42 119.16 3hkz h ASP 364 Ca 0.00 -0.27 0.10 0.00 0.42 0.00 0.00 57.03 57.27 3hkz h ASP 364 Cb 0.53 0.05 -0.10 0.00 1.72 0.00 0.00 39.33 41.53 3hkz h ASP 364 CO 0.00 0.38 -0.25 0.25 -2.88 0.00 0.00 179.24 176.74 3hkz h LEU 365 N -0.96 -0.84 -0.50 2.28 5.85 -1.41 0.81 115.31 120.54 3hkz h LEU 365 Ca -0.02 0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3hkz h LEU 365 Cb 0.45 0.45 -0.09 0.00 0.37 0.00 0.00 40.66 41.83 3hkz h LEU 365 CO 0.04 -0.26 -0.12 0.74 -0.34 0.00 0.00 178.44 178.49 3hkz h THR 366 N -0.14 0.51 -0.02 1.05 2.02 -1.67 1.43 112.91 116.10 3hkz h THR 366 Ca 0.22 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.23 3hkz h THR 366 Cb 0.49 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3hkz h THR 366 CO -0.57 0.00 -0.75 0.22 0.37 0.00 0.00 175.52 174.79 3hkz h TYR 367 N 0.00 0.21 -0.11 3.16 -0.00 -1.05 0.32 116.97 119.50 3hkz h TYR 367 Ca 0.24 -0.10 -0.20 0.00 -0.00 0.00 0.00 58.73 58.66 3hkz h TYR 367 Cb 0.36 -0.03 0.01 0.00 -0.00 0.00 0.00 36.73 37.07 3hkz h TYR 367 CO -0.42 0.84 -0.72 0.37 -0.00 0.00 0.00 178.16 178.23 3hkz h GLN 368 N 0.10 0.68 -0.16 1.82 5.75 0.12 -3.32 115.11 120.10 3hkz h GLN 368 Ca -0.02 -0.59 -0.09 0.00 -0.15 0.00 0.00 58.65 57.80 3hkz h GLN 368 Cb 1.32 0.13 -0.00 0.00 1.07 0.00 0.00 27.48 30.00 3hkz h GLN 368 CO 0.11 1.20 -0.26 -0.07 -2.65 0.00 0.00 178.83 177.16 3hkz h LEU 369 N 0.36 0.51 -1.42 -2.39 3.38 0.20 -1.84 115.31 114.11 3hkz h LEU 369 Ca -0.06 -0.53 0.21 0.00 0.09 0.00 0.00 57.88 57.59 3hkz h LEU 369 Cb 1.37 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 3hkz h LEU 369 CO 0.15 0.94 0.61 -0.33 0.09 0.00 0.00 178.44 179.90 3hkz h GLU 370 N 0.09 0.45 0.00 1.13 5.08 -0.47 -3.30 114.58 117.56 3hkz h GLU 370 Ca 0.01 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hkz h GLU 370 Cb 0.84 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3hkz h GLU 370 CO 0.06 0.30 0.00 1.63 -1.00 0.00 0.00 179.01 180.00 3hkz n LYS 371 N -4.56 0.00 0.00 2.33 5.02 -1.24 -4.86 118.16 114.86 3hkz n LYS 371 Ca 0.21 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.50 3hkz n LYS 371 Cb 0.70 -0.12 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 3hkz n LYS 371 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3hkz n SER 372 N -0.73 0.00 -3.54 4.39 3.41 -0.69 -3.31 113.62 113.16 3hkz n SER 372 Ca 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.45 3hkz n SER 372 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 3hkz n SER 372 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3hkz s LYS 373 N 0.00 0.18 0.00 4.33 2.47 -1.26 -4.94 119.74 120.52 3hkz s LYS 373 Ca 0.00 0.39 0.27 0.00 -1.56 0.00 0.00 55.97 55.06 3hkz s LYS 373 Cb 0.00 -0.80 0.79 0.00 -1.46 0.00 0.00 37.83 36.36 3hkz s LYS 373 CO 0.00 -0.54 1.60 0.28 0.16 0.00 0.00 175.35 176.85 3hkz n VAL 374 N 5.33 0.00 -2.72 4.02 0.31 -1.21 -4.90 118.33 119.17 3hkz n VAL 374 Ca -0.05 -0.04 -0.38 0.00 -0.01 0.00 0.00 64.34 63.85 3hkz n VAL 374 Cb 0.50 0.11 -0.06 0.00 -0.91 0.00 0.00 33.84 33.48 3hkz n VAL 374 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3hkz s ARG 375 N -2.81 4.67 -0.83 5.55 0.52 -1.26 -4.89 118.95 119.90 3hkz s ARG 375 Ca 0.17 1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 56.53 3hkz s ARG 375 Cb 0.19 -3.01 -0.18 0.00 0.52 0.00 0.00 34.95 32.46 3hkz s ARG 375 CO 0.60 0.34 2.58 0.41 0.02 0.00 0.00 175.30 179.24 3hkz n GLY 376 N 0.98 -0.28 0.41 -3.53 0.00 -1.26 -4.17 105.19 97.33 3hkz n GLY 376 Ca 0.00 1.04 0.00 0.00 0.00 0.00 0.00 46.02 47.07 3hkz n GLY 376 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hkz n ARG 377 N 8.51 0.00 0.00 1.61 0.63 -1.26 -5.09 116.66 121.06 3hkz n ARG 377 Ca 0.58 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.92 3hkz n ARG 377 Cb 0.14 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.05 3hkz n ARG 377 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3hkz n LYS 378 N 0.40 0.00 -2.11 -0.14 3.00 -1.26 -5.06 118.16 112.99 3hkz n LYS 378 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.92 3hkz n LYS 378 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 3hkz n LYS 378 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3hkz n LEU 379 N 0.00 7.18 -4.54 3.14 4.77 -1.26 -4.81 117.00 121.48 3hkz n LEU 379 Ca 0.00 -4.98 -0.41 0.00 -0.03 0.00 0.00 56.01 50.59 3hkz n LEU 379 Cb 0.00 -1.02 -0.03 0.00 -2.33 0.00 0.00 43.42 40.04 3hkz n LEU 379 CO 0.00 1.86 1.16 0.00 -1.33 0.00 0.00 177.39 179.08 3hkz s ALA 380 N -4.06 2.80 0.24 -1.18 0.00 -1.26 -4.88 121.76 113.43 3hkz s ALA 380 Ca 0.50 -1.58 -0.06 0.00 0.00 0.00 0.00 51.96 50.82 3hkz s ALA 380 Cb 0.39 -4.24 0.30 0.00 0.00 0.00 0.00 23.12 19.57 3hkz s ALA 380 CO -0.35 -3.26 1.87 -0.07 0.00 0.00 0.00 175.76 173.95 3hkz h LEU 381 N 12.74 0.91 -0.06 0.00 3.38 -2.00 -1.12 115.31 129.15 3hkz h LEU 381 Ca -0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3hkz h LEU 381 Cb 1.05 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hkz h LEU 381 CO 1.28 0.61 0.00 1.17 0.09 0.00 0.00 178.44 181.59 3hkz n LYS 382 N -4.56 0.00 -0.23 1.13 4.81 -1.26 -0.03 118.16 118.01 3hkz n LYS 382 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 3hkz n LYS 382 Cb 0.13 -0.99 0.00 0.00 0.02 0.00 0.00 35.03 34.19 3hkz n LYS 382 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3hkz n ALA 383 N -0.33 1.53 0.00 3.14 0.00 -0.42 -4.76 120.51 119.66 3hkz n ALA 383 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.63 3hkz n ALA 383 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3hkz n ALA 383 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 384 N -0.06 0.00 -4.71 0.00 4.77 0.95 -5.02 117.00 112.93 3hkz n LEU 384 Ca 0.01 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3hkz n LEU 384 Cb 0.59 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.65 3hkz n LEU 384 CO 0.00 0.00 0.86 -0.69 -1.33 0.00 0.00 177.39 176.23 3hkz s VAL 385 N -0.99 4.27 -0.15 4.08 1.01 -0.13 -4.63 120.40 123.86 3hkz s VAL 385 Ca 0.00 1.62 -0.08 0.00 0.00 0.00 0.00 61.98 63.52 3hkz s VAL 385 Cb 0.00 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3hkz s VAL 385 CO 0.00 0.09 0.13 -0.13 0.00 0.00 0.00 175.10 175.19 3hkz s ARG 386 N 1.35 3.73 -0.30 2.72 0.52 -1.26 -4.88 118.95 120.83 3hkz s ARG 386 Ca 0.56 -0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.30 3hkz s ARG 386 Cb -0.26 -3.26 -0.07 0.00 0.52 0.00 0.00 34.95 31.88 3hkz s ARG 386 CO 0.27 0.57 2.27 -2.30 0.02 0.00 0.00 175.30 176.13 3hkz n PRO 387 N 2.64 1.64 -1.11 3.54 -0.01 -1.26 -3.37 135.00 137.06 3hkz n PRO 387 Ca -0.18 0.39 -0.04 0.00 -0.01 0.00 0.00 63.50 63.66 3hkz n PRO 387 Cb 0.54 -3.15 -0.02 0.00 -0.01 0.00 0.00 33.50 30.86 3hkz n PRO 387 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 175.50 175.24 3hkz n ASP 388 N 12.25 -3.49 -0.05 2.55 8.00 -1.26 -4.84 116.55 129.71 3hkz n ASP 388 Ca 0.33 0.09 0.21 0.00 0.71 0.00 0.00 54.79 56.14 3hkz n ASP 388 Cb 0.43 -1.32 0.67 0.00 -0.02 0.00 0.00 41.12 40.89 3hkz n ASP 388 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3hkz h ILE 389 N 0.00 0.71 -0.09 0.53 1.08 -1.85 0.53 117.51 118.43 3hkz h ILE 389 Ca -0.08 -0.02 -0.12 0.00 -0.39 0.00 0.00 64.86 64.26 3hkz h ILE 389 Cb 0.26 0.66 0.01 0.00 -3.07 0.00 0.00 36.82 34.67 3hkz h ILE 389 CO 0.11 0.01 -0.40 0.58 -0.69 0.00 0.00 178.15 177.76 3hkz h VAL 390 N 0.05 1.39 0.14 1.67 2.07 -1.82 -3.36 116.25 116.39 3hkz h VAL 390 Ca 0.29 -1.76 -0.20 0.00 0.82 0.00 0.00 66.70 65.85 3hkz h VAL 390 Cb 1.11 2.24 0.02 0.00 -1.52 0.00 0.00 31.29 33.14 3hkz h VAL 390 CO -0.02 0.52 -0.91 0.74 0.02 0.00 0.00 177.57 177.92 3hkz h THR 391 N -0.01 1.44 0.00 2.57 2.02 -0.39 -2.92 112.91 115.62 3hkz h THR 391 Ca -0.02 -2.52 0.00 0.00 0.77 0.00 0.00 66.41 64.64 3hkz h THR 391 Cb 1.05 3.12 0.00 0.00 -1.74 0.00 0.00 68.15 70.58 3hkz h THR 391 CO 0.08 0.71 0.00 -0.33 0.37 0.00 0.00 175.52 176.36 3hkz h GLU 392 N -0.37 0.00 -0.52 6.66 5.08 -0.94 0.71 114.58 125.20 3hkz h GLU 392 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3hkz h GLU 392 Cb 1.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.91 3hkz h GLU 392 CO 0.13 0.00 0.00 -2.13 -1.00 0.00 0.00 179.01 176.01 3hkz n ARG 393 N -2.93 4.31 0.00 2.33 0.63 -1.23 -3.58 116.66 116.19 3hkz n ARG 393 Ca -0.00 -3.05 0.00 0.00 -0.92 0.00 0.00 57.85 53.88 3hkz n ARG 393 Cb 0.24 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 31.03 3hkz n ARG 393 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3hkz n ILE 394 N 0.45 0.00 -0.10 5.15 3.06 0.06 -4.75 119.36 123.24 3hkz n ILE 394 Ca 0.26 -0.13 -0.11 0.00 -2.50 0.00 0.00 62.75 60.27 3hkz n ILE 394 Cb 1.09 0.71 -0.15 0.00 0.54 0.00 0.00 39.64 41.83 3hkz n ILE 394 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 3hkz n ARG 395 N -0.49 0.81 -0.33 9.51 1.85 -0.17 -4.27 116.66 123.57 3hkz n ARG 395 Ca 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 57.85 56.81 3hkz n ARG 395 Cb 0.00 -1.49 0.04 0.00 -1.05 0.00 0.00 32.46 29.95 3hkz n ARG 395 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 3hkz n HIS 396 N -2.80 0.69 -1.90 2.89 -0.00 -1.23 0.22 115.22 113.09 3hkz n HIS 396 Ca -0.33 -0.89 0.00 0.00 0.46 0.00 0.00 57.72 56.96 3hkz n HIS 396 Cb 1.10 -0.45 0.00 0.00 -0.12 0.00 0.00 29.99 30.53 3hkz n HIS 396 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3hkz n ALA 397 N 0.24 1.63 0.00 1.57 0.00 -1.26 -4.55 120.51 118.14 3hkz n ALA 397 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3hkz n ALA 397 Cb 0.73 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 20.09 3hkz n ALA 397 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hkz n LEU 398 N 0.00 0.00 -0.05 0.00 7.94 -0.94 -3.50 117.00 120.44 3hkz n LEU 398 Ca 0.00 0.00 -0.22 0.00 -1.11 0.00 0.00 56.01 54.68 3hkz n LEU 398 Cb 0.54 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.36 3hkz n LEU 398 CO 0.00 0.00 -0.76 0.00 -1.11 0.00 0.00 177.39 175.52 3hkz n ALA 399 N -0.39 0.89 -0.10 1.96 0.00 0.13 -4.73 120.51 118.28 3hkz n ALA 399 Ca 0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 53.44 52.72 3hkz n ALA 399 Cb 0.02 -0.56 -0.15 0.00 0.00 0.00 0.00 19.45 18.75 3hkz n ALA 399 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 3hkz n THR 400 N -3.88 1.42 0.00 0.00 5.66 -1.26 -4.89 114.28 111.34 3hkz n THR 400 Ca -0.34 -0.79 0.00 0.00 -3.05 0.00 0.00 64.05 59.87 3hkz n THR 400 Cb 0.90 -0.71 0.00 0.00 -1.55 0.00 0.00 70.33 68.97 3hkz n THR 400 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hkz n GLY 401 N 1.86 1.61 0.00 1.09 0.00 -1.26 -4.87 105.19 103.61 3hkz n GLY 401 Ca -0.35 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3hkz n GLY 401 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hkz n ASN 402 N 0.00 0.00 0.00 1.61 2.85 -1.23 -3.96 115.26 114.54 3hkz n ASN 402 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 3hkz n ASN 402 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 3hkz n ASN 402 CO 0.00 0.00 0.00 1.87 -2.11 0.00 0.00 177.26 177.02 3hkz n TRP 403 N 0.00 0.00 0.00 1.20 -0.00 -1.20 -4.58 117.44 112.86 3hkz n TRP 403 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 3hkz n TRP 403 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 3hkz n TRP 403 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 3hkz n VAL 404 N 0.00 0.00 0.00 5.87 0.24 -1.26 -3.52 118.33 119.66 3hkz n VAL 404 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 3hkz n VAL 404 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 3hkz n VAL 404 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hkz n GLY 405 N 0.00 0.18 0.06 7.63 0.00 -1.26 -4.85 105.19 106.95 3hkz n GLY 405 Ca 0.00 -1.53 0.04 0.00 0.00 0.00 0.00 46.02 44.54 3hkz n GLY 405 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 406 N 4.83 -0.64 3.75 -0.02 0.00 -1.26 -4.87 105.19 106.97 3hkz n GLY 406 Ca 0.00 0.07 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3hkz n GLY 406 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkz s ARG 407 N -3.19 1.89 -0.18 1.61 3.00 -1.23 -4.99 118.95 115.85 3hkz s ARG 407 Ca -0.01 1.09 -0.28 0.00 0.00 0.00 0.00 55.73 56.54 3hkz s ARG 407 Cb 0.02 -1.86 0.09 0.00 0.00 0.00 0.00 34.95 33.20 3hkz s ARG 407 CO 0.08 -1.88 0.80 -0.08 0.00 0.00 0.00 175.30 174.22 3hkz s THR 408 N -2.90 0.00 -0.84 0.02 -1.32 -1.26 -3.23 115.64 106.11 3hkz s THR 408 Ca 0.62 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 61.07 3hkz s THR 408 Cb -0.18 -1.00 -0.00 0.00 -1.51 0.00 0.00 72.50 69.81 3hkz s THR 408 CO 0.56 0.00 0.66 0.61 -2.21 0.00 0.00 174.62 174.25 3hkz n GLY 409 N 1.73 -1.24 0.06 6.08 0.00 -1.25 -4.81 105.19 105.75 3hkz n GLY 409 Ca -0.15 0.53 -0.08 0.00 0.00 0.00 0.00 46.02 46.33 3hkz n GLY 409 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hkz n VAL 410 N -2.57 0.68 -3.51 1.61 0.31 -1.26 -4.90 118.33 108.68 3hkz n VAL 410 Ca -0.17 -0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 63.67 3hkz n VAL 410 Cb 0.61 -0.89 -0.01 0.00 -0.91 0.00 0.00 33.84 32.64 3hkz n VAL 410 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3hkz s SER 411 N -4.95 5.83 -0.03 4.52 1.04 -1.25 -0.47 113.70 118.39 3hkz s SER 411 Ca -0.14 -0.26 -0.30 0.00 0.48 0.00 0.00 55.95 55.74 3hkz s SER 411 Cb 0.04 -1.16 0.11 0.00 0.10 0.00 0.00 66.02 65.11 3hkz s SER 411 CO 0.30 -0.43 0.97 0.00 0.98 0.00 0.00 173.24 175.06 3hkz s GLN 412 N -4.15 0.74 -0.21 4.02 -2.07 -0.11 -4.67 119.66 113.21 3hkz s GLN 412 Ca 0.45 -0.30 -0.28 0.00 -1.82 0.00 0.00 55.36 53.41 3hkz s GLN 412 Cb -0.09 0.32 -0.05 0.00 -1.09 0.00 0.00 33.01 32.11 3hkz s GLN 412 CO 0.30 -0.33 2.16 -1.17 -1.32 0.00 0.00 175.29 174.93 3hkz s LEU 413 N -2.48 3.54 -0.34 2.60 2.96 -1.26 0.17 118.68 123.86 3hkz s LEU 413 Ca 0.07 1.91 -0.38 0.00 -0.22 0.00 0.00 54.13 55.51 3hkz s LEU 413 Cb -0.01 -3.51 -0.14 0.00 0.50 0.00 0.00 46.19 43.03 3hkz s LEU 413 CO -0.07 -1.85 2.04 -0.11 -1.32 0.00 0.00 176.35 175.04 3hkz n LEU 414 N 11.18 2.04 -4.58 -0.68 7.94 -0.82 -4.83 117.00 127.25 3hkz n LEU 414 Ca 0.28 0.66 -0.41 0.00 -1.11 0.00 0.00 56.01 55.43 3hkz n LEU 414 Cb 0.45 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.20 3hkz n LEU 414 CO 0.66 -0.63 1.67 -0.62 -1.11 0.00 0.00 177.39 177.37 3hkz s ASP 415 N 5.92 5.51 0.00 1.96 2.15 -1.26 -4.84 116.67 126.11 3hkz s ASP 415 Ca 1.07 1.21 0.24 0.00 0.43 0.00 0.00 52.55 55.50 3hkz s ASP 415 Cb -1.01 -2.52 0.39 0.00 -0.30 0.00 0.00 42.92 39.48 3hkz s ASP 415 CO 0.57 -2.03 1.38 -1.14 -0.17 0.00 0.00 175.17 173.79 3hkz n ARG 416 N 8.70 2.50 -1.50 4.34 3.00 -1.26 -3.15 116.66 129.30 3hkz n ARG 416 Ca 0.25 -2.26 -0.44 0.00 -0.00 0.00 0.00 57.85 55.41 3hkz n ARG 416 Cb 0.48 -1.51 -0.07 0.00 0.00 0.00 0.00 32.46 31.36 3hkz n ARG 416 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 3hkz n THR 417 N 1.49 0.08 -1.67 5.15 -1.04 -1.26 -4.61 114.28 112.43 3hkz n THR 417 Ca 0.19 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3hkz n THR 417 Cb 0.61 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.30 3hkz n THR 417 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 3hkz n ASN 418 N 11.94 -8.96 0.15 8.00 5.15 -1.26 -4.28 115.26 126.00 3hkz n ASN 418 Ca 0.44 1.49 -0.14 0.00 -0.60 0.00 0.00 54.58 55.77 3hkz n ASN 418 Cb 0.30 -5.18 -0.07 0.00 -0.53 0.00 0.00 39.78 34.29 3hkz n ASN 418 CO 0.00 0.00 0.00 -0.25 1.40 0.00 0.00 177.26 178.41 3hkz h TRP 419 N 1.30 -1.03 -0.69 1.20 7.01 -1.74 -3.15 115.95 118.85 3hkz h TRP 419 Ca 0.00 0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.09 3hkz h TRP 419 Cb 0.28 0.43 -0.10 0.00 -2.10 0.00 0.00 29.16 27.67 3hkz h TRP 419 CO 0.02 -0.49 -0.56 1.25 -2.79 0.00 0.00 178.44 175.87 3hkz h LEU 420 N -0.66 -1.96 -0.83 0.65 5.85 -1.89 -1.48 115.31 114.99 3hkz h LEU 420 Ca 0.01 0.28 0.13 0.00 0.84 0.00 0.00 57.88 59.13 3hkz h LEU 420 Cb 0.65 0.84 -0.13 0.00 0.37 0.00 0.00 40.66 42.39 3hkz h LEU 420 CO -0.17 -0.30 -0.33 -0.24 -0.34 0.00 0.00 178.44 177.06 3hkz n SER 421 N -5.23 -0.55 0.11 1.25 2.88 -1.19 -0.21 113.62 110.68 3hkz n SER 421 Ca -0.01 1.45 -0.13 0.00 -1.33 0.00 0.00 58.87 58.85 3hkz n SER 421 Cb 0.29 -0.33 -0.06 0.00 -0.75 0.00 0.00 64.21 63.36 3hkz n SER 421 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 3hkz h MET 422 N 0.00 -0.50 -0.92 -1.46 1.85 -1.22 0.59 114.93 113.27 3hkz h MET 422 Ca 0.28 0.03 0.23 0.00 -0.61 0.00 0.00 59.70 59.63 3hkz h MET 422 Cb 0.49 0.11 -0.12 0.00 0.43 0.00 0.00 31.60 32.51 3hkz h MET 422 CO -0.82 -0.33 0.45 -0.07 -0.40 0.00 0.00 176.91 175.73 3hkz h LEU 423 N -0.52 0.42 -0.44 3.39 3.38 -0.32 -0.34 115.31 120.89 3hkz h LEU 423 Ca 0.03 0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 3hkz h LEU 423 Cb 0.55 0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3hkz h LEU 423 CO -0.18 0.03 -0.56 -1.28 0.09 0.00 0.00 178.44 176.54 3hkz h SER 424 N 0.45 0.73 -0.95 -0.43 0.87 0.11 -3.01 113.55 111.33 3hkz h SER 424 Ca 0.58 -0.39 0.18 0.00 -1.23 0.00 0.00 61.79 60.93 3hkz h SER 424 Cb 1.10 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.76 3hkz h SER 424 CO -0.51 1.13 0.60 -0.74 -0.53 0.00 0.00 176.83 176.79 3hkz h HIS 425 N 0.50 0.83 0.01 2.24 6.17 0.18 -2.34 115.15 122.74 3hkz h HIS 425 Ca 0.01 0.03 -0.21 0.00 0.71 0.00 0.00 60.37 60.90 3hkz h HIS 425 Cb 1.13 -0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.80 3hkz h HIS 425 CO 0.05 0.23 -0.93 -0.07 0.71 0.00 0.00 177.93 177.93 3hkz h LEU 426 N 0.64 0.36 -0.61 0.26 3.38 -1.35 -2.89 115.31 115.09 3hkz h LEU 426 Ca 0.51 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3hkz h LEU 426 Cb 0.93 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hkz h LEU 426 CO -0.26 1.11 -0.00 0.54 0.09 0.00 0.00 178.44 179.92 3hkz n ARG 427 N -3.67 1.41 -2.70 1.13 1.74 -0.92 -4.84 116.66 108.81 3hkz n ARG 427 Ca -0.05 -0.61 -0.38 0.00 -0.77 0.00 0.00 57.85 56.04 3hkz n ARG 427 Cb 0.84 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.73 3hkz n ARG 427 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3hkz s ARG 428 N -2.01 4.56 -0.05 5.56 0.52 -1.00 -2.77 118.95 123.75 3hkz s ARG 428 Ca 0.41 1.44 0.04 0.00 -0.52 0.00 0.00 55.73 57.09 3hkz s ARG 428 Cb 0.21 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.82 3hkz s ARG 428 CO 0.35 0.23 -0.15 0.14 0.02 0.00 0.00 175.30 175.89 3hkz s VAL 429 N -1.51 1.28 0.51 3.52 -7.23 -0.16 -3.83 120.40 112.98 3hkz s VAL 429 Ca 0.50 -0.62 -0.01 0.00 -1.81 0.00 0.00 61.98 60.04 3hkz s VAL 429 Cb -0.22 -1.12 0.01 0.00 0.56 0.00 0.00 36.38 35.62 3hkz s VAL 429 CO 0.27 0.38 0.75 -0.63 -0.31 0.00 0.00 175.10 175.56 3hkz s ILE 430 N 0.19 3.48 0.52 -0.62 -1.09 -0.96 -1.09 121.20 121.63 3hkz s ILE 430 Ca -0.06 -0.47 0.02 0.00 -2.23 0.00 0.00 60.65 57.91 3hkz s ILE 430 Cb -0.12 -3.31 0.03 0.00 -1.58 0.00 0.00 42.46 37.47 3hkz s ILE 430 CO 0.02 -0.24 0.74 -0.94 -1.23 0.00 0.00 174.94 173.29 3hkz s SER 431 N -4.30 5.40 0.19 3.58 1.04 -1.21 -2.16 113.70 116.23 3hkz s SER 431 Ca 0.52 0.00 -0.32 0.00 0.48 0.00 0.00 55.95 56.63 3hkz s SER 431 Cb -0.10 -0.96 -0.11 0.00 0.10 0.00 0.00 66.02 64.94 3hkz s SER 431 CO 0.39 -1.04 1.71 -0.55 0.98 0.00 0.00 173.24 174.73 3hkz s SER 432 N -4.38 6.42 1.24 7.02 0.15 -0.59 -4.48 113.70 119.08 3hkz s SER 432 Ca 0.56 2.82 0.00 0.00 0.70 0.00 0.00 55.95 60.02 3hkz s SER 432 Cb -0.10 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 3hkz s SER 432 CO 0.38 -0.95 0.00 0.18 1.20 0.00 0.00 173.24 174.05 3hkz n LEU 433 N 4.12 0.00 0.01 3.45 4.77 -1.26 -4.64 117.00 123.44 3hkz n LEU 433 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3hkz n LEU 433 Cb 0.36 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 3hkz n LEU 433 CO 0.64 0.00 -0.34 0.00 -1.33 0.00 0.00 177.39 176.36 3hkz n ALA 434 N 9.75 3.00 -2.46 -1.18 0.00 -1.26 -4.94 120.51 123.42 3hkz n ALA 434 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 3hkz n ALA 434 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.80 3hkz n ALA 434 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hkz n ARG 435 N -2.92 -2.59 -2.55 0.00 1.74 -1.26 -4.92 116.66 104.16 3hkz n ARG 435 Ca 0.00 2.21 -0.41 0.00 -0.77 0.00 0.00 57.85 58.88 3hkz n ARG 435 Cb 0.34 -4.48 -0.03 0.00 -1.02 0.00 0.00 32.46 27.27 3hkz n ARG 435 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3hkz s GLY 436 N -1.44 1.13 0.03 -0.13 0.00 -1.26 -4.91 107.32 100.74 3hkz s GLY 436 Ca 0.03 -1.96 -0.01 0.00 0.00 0.00 0.00 44.72 42.79 3hkz s GLY 436 CO 0.61 2.68 0.05 -1.06 0.00 0.00 0.00 173.10 175.38 3hkz n GLN 437 N 9.05 0.08 -2.70 2.90 1.13 -1.26 -5.07 117.38 121.50 3hkz n GLN 437 Ca 0.23 -0.22 -0.41 0.00 -1.94 0.00 0.00 57.00 54.66 3hkz n GLN 437 Cb 0.50 0.24 0.02 0.00 0.11 0.00 0.00 30.24 31.11 3hkz n GLN 437 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 3hkz n PRO 438 N -0.05 5.28 -2.68 -1.09 -0.04 -1.26 -5.00 135.00 130.16 3hkz n PRO 438 Ca -0.00 -4.66 -0.43 0.00 -0.04 0.00 0.00 63.50 58.37 3hkz n PRO 438 Cb 0.05 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.01 3hkz n PRO 438 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3hkz s ASN 439 N -1.45 6.62 0.11 3.54 0.01 -1.26 -4.80 114.94 117.72 3hkz s ASN 439 Ca 0.38 0.42 0.00 0.00 -0.71 0.00 0.00 52.86 52.95 3hkz s ASN 439 Cb 0.17 -2.51 0.00 0.00 0.41 0.00 0.00 41.25 39.32 3hkz s ASN 439 CO -0.09 -1.13 0.00 0.49 -1.51 0.00 0.00 177.10 174.85 3hkz n PHE 440 N 7.48 -0.87 0.55 2.20 3.01 -1.26 -4.82 117.46 123.75 3hkz n PHE 440 Ca 0.10 0.15 0.00 0.00 1.01 0.00 0.00 57.45 58.71 3hkz n PHE 440 Cb 0.49 0.42 0.00 0.00 -0.01 0.00 0.00 39.48 40.37 3hkz n PHE 440 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3hkz n GLU 441 N -2.99 0.55 -0.36 -1.08 2.13 -1.26 -2.58 120.64 115.04 3hkz n GLU 441 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3hkz n GLU 441 Cb 0.07 -1.23 0.00 0.00 0.27 0.00 0.00 31.44 30.55 3hkz n GLU 441 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3hkz n ALA 442 N 0.69 1.73 -0.00 4.31 0.00 -1.26 -4.85 120.51 121.12 3hkz n ALA 442 Ca 0.00 -0.55 -0.00 0.00 0.00 0.00 0.00 53.44 52.89 3hkz n ALA 442 Cb 0.26 -0.23 -0.00 0.00 0.00 0.00 0.00 19.45 19.48 3hkz n ALA 442 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hkz n ARG 443 N 0.00 3.76 -1.98 0.00 1.74 -1.06 -4.74 116.66 114.38 3hkz n ARG 443 Ca 0.00 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.67 3hkz n ARG 443 Cb 0.59 -1.01 -0.02 0.00 -1.02 0.00 0.00 32.46 31.00 3hkz n ARG 443 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3hkz s ASP 444 N -3.00 6.61 -0.52 0.55 1.47 -1.26 -4.66 116.67 115.86 3hkz s ASP 444 Ca -0.00 2.72 -0.39 0.00 1.18 0.00 0.00 52.55 56.06 3hkz s ASP 444 Cb 0.00 -2.63 -0.17 0.00 -0.34 0.00 0.00 42.92 39.79 3hkz s ASP 444 CO 0.02 -0.72 2.24 0.18 0.68 0.00 0.00 175.17 177.56 3hkz n LEU 445 N 2.12 1.17 -4.78 2.11 4.77 -1.26 -4.84 117.00 116.30 3hkz n LEU 445 Ca 0.06 0.49 -0.31 0.00 -0.03 0.00 0.00 56.01 56.21 3hkz n LEU 445 Cb 0.40 -1.04 0.08 0.00 -2.33 0.00 0.00 43.42 40.53 3hkz n LEU 445 CO 0.61 -0.78 0.71 -2.28 -1.33 0.00 0.00 177.39 174.31 3hkz s HIS 446 N 7.04 2.66 0.15 -1.77 5.65 -1.26 -4.88 115.29 122.89 3hkz s HIS 446 Ca 1.18 1.54 -0.20 0.00 0.25 0.00 0.00 55.06 57.83 3hkz s HIS 446 Cb -1.22 -3.04 0.06 0.00 -1.18 0.00 0.00 32.58 27.20 3hkz s HIS 446 CO 0.57 -1.70 1.22 0.41 -0.65 0.00 0.00 174.74 174.59 3hkz n GLY 447 N -1.24 -1.86 0.00 1.59 0.00 -1.26 -4.11 105.19 98.31 3hkz n GLY 447 Ca 0.09 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.02 3hkz n GLY 447 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 448 N -5.07 0.00 0.00 2.61 -1.04 -1.26 -4.27 114.28 105.25 3hkz n THR 448 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3hkz n THR 448 Cb 0.26 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 3hkz n THR 448 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n GLN 449 N 0.00 0.00 -2.06 -2.82 6.02 -1.26 -4.82 117.38 112.44 3hkz n GLN 449 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.57 3hkz n GLN 449 Cb 0.00 -3.12 -0.03 0.00 1.02 0.00 0.00 30.24 28.12 3hkz n GLN 449 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 3hkz s TRP 450 N 0.00 2.65 -1.23 1.08 -0.00 -1.26 -0.69 118.94 119.50 3hkz s TRP 450 Ca 0.00 0.56 -0.05 0.00 -0.00 0.00 0.00 56.10 56.61 3hkz s TRP 450 Cb 0.00 -3.83 0.03 0.00 -0.00 0.00 0.00 33.47 29.68 3hkz s TRP 450 CO 0.00 -3.20 0.31 0.41 -0.00 0.00 0.00 176.95 174.47 3hkz n GLY 451 N 3.82 -0.50 1.53 5.86 0.00 -1.26 -4.71 105.19 109.93 3hkz n GLY 451 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3hkz n GLY 451 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz n ARG 452 N -3.40 0.00 -4.50 1.61 1.74 -0.68 -4.62 116.66 106.82 3hkz n ARG 452 Ca -0.08 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.66 3hkz n ARG 452 Cb 0.58 -0.18 -0.11 0.00 -1.02 0.00 0.00 32.46 31.73 3hkz n ARG 452 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3hkz s MET 453 N -1.75 2.95 0.34 5.56 -1.94 0.13 0.02 119.30 124.60 3hkz s MET 453 Ca 0.00 -0.49 -0.28 0.00 -1.71 0.00 0.00 55.69 53.21 3hkz s MET 453 Cb 0.00 -2.71 -0.12 0.00 2.01 0.00 0.00 34.83 34.01 3hkz s MET 453 CO 0.00 0.63 1.37 0.00 -0.01 0.00 0.00 175.02 177.02 3hkz h PRO 455 N 2.93 0.00 0.00 0.00 0.13 -1.88 -3.40 132.00 129.78 3hkz h PRO 455 Ca -0.47 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.32 3hkz h PRO 455 Cb 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 3hkz h PRO 455 CO 0.65 0.00 -2.10 1.19 -0.23 0.00 0.00 178.00 177.51 3hkz n PHE 456 N -2.61 0.00 -1.54 1.56 3.72 -1.26 -4.92 117.46 112.41 3hkz n PHE 456 Ca 0.05 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.07 3hkz n PHE 456 Cb 0.47 -0.83 -0.05 0.00 -0.94 0.00 0.00 39.48 38.14 3hkz n PHE 456 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hkz n GLU 457 N -4.24 0.95 -3.65 -1.08 4.71 -1.26 -4.47 120.64 111.61 3hkz n GLU 457 Ca -0.42 0.04 -0.11 0.00 -0.01 0.00 0.00 57.16 56.65 3hkz n GLU 457 Cb 0.78 -3.12 -0.08 0.00 -1.01 0.00 0.00 31.44 28.01 3hkz n GLU 457 CO 0.00 0.00 0.00 0.99 0.09 0.00 0.00 177.13 178.21 3hkz s THR 458 N 11.35 -0.00 0.34 2.62 2.01 -1.26 -3.74 115.64 126.95 3hkz s THR 458 Ca 1.04 0.01 -0.28 0.00 0.31 0.00 0.00 61.69 62.77 3hkz s THR 458 Cb -0.37 -0.92 -0.12 0.00 0.01 0.00 0.00 72.50 71.11 3hkz s THR 458 CO 0.31 0.00 1.40 -0.81 -0.69 0.00 0.00 174.62 174.83 3hkz n PRO 459 N 3.42 2.36 -2.15 4.92 -0.04 -1.26 -4.89 135.00 137.36 3hkz n PRO 459 Ca -0.17 0.83 -0.42 0.00 -0.04 0.00 0.00 63.50 63.70 3hkz n PRO 459 Cb 0.57 -2.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.51 3hkz n PRO 459 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3hkz s GLU 460 N -1.68 4.31 0.00 0.54 2.02 -1.26 -3.61 118.70 119.02 3hkz s GLU 460 Ca 0.57 2.10 0.00 0.00 0.02 0.00 0.00 54.97 57.66 3hkz s GLU 460 Cb -0.54 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.44 3hkz s GLU 460 CO 0.60 -0.46 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3hkz n GLY 461 N 3.53 0.85 0.34 -1.39 0.00 -1.26 -4.77 105.19 102.48 3hkz n GLY 461 Ca 0.12 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 3hkz n GLY 461 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3hkz h PRO 462 N 0.00 -0.77 0.00 1.61 0.11 -2.04 -2.68 132.00 128.24 3hkz h PRO 462 Ca 0.00 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.16 3hkz h PRO 462 Cb 0.00 0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.29 3hkz h PRO 462 CO 0.00 -0.50 0.00 0.09 -0.21 0.00 0.00 178.00 177.38 3hkz n ASN 463 N -5.31 0.00 -4.68 -2.05 4.13 -1.26 -4.84 115.26 101.25 3hkz n ASN 463 Ca -0.10 -0.48 -0.45 0.00 1.68 0.00 0.00 54.58 55.22 3hkz n ASN 463 Cb 0.32 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.53 3hkz n ASN 463 CO 0.00 0.00 0.00 -0.24 0.28 0.00 0.00 177.26 177.30 3hkz n SER 464 N -0.90 3.56 0.00 6.41 2.88 -1.01 -1.46 113.62 123.10 3hkz n SER 464 Ca 0.08 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.63 3hkz n SER 464 Cb 0.04 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 3hkz n SER 464 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hkz n GLY 465 N 4.05 1.87 0.18 0.46 0.00 -1.26 -4.83 105.19 105.66 3hkz n GLY 465 Ca 0.19 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3hkz n GLY 465 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 466 N 0.00 2.39 -4.84 0.99 4.77 -0.53 -4.49 117.00 115.29 3hkz n LEU 466 Ca 0.00 0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.67 3hkz n LEU 466 Cb 0.00 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 3hkz n LEU 466 CO 0.00 0.71 0.10 0.54 -1.33 0.00 0.00 177.39 177.41 3hkz s VAL 467 N -2.45 5.03 0.13 4.08 0.11 -1.04 -3.35 120.40 122.91 3hkz s VAL 467 Ca -0.32 0.84 -0.08 0.00 -2.93 0.00 0.00 61.98 59.49 3hkz s VAL 467 Cb 0.10 -3.71 -0.01 0.00 -1.53 0.00 0.00 36.38 31.23 3hkz s VAL 467 CO 0.48 0.58 0.23 -1.59 -3.33 0.00 0.00 175.10 171.46 3hkz s LYS 468 N -1.07 1.01 0.46 1.54 -2.85 -0.25 -4.55 119.74 114.03 3hkz s LYS 468 Ca 0.24 -1.11 -0.02 0.00 -1.00 0.00 0.00 55.97 54.08 3hkz s LYS 468 Cb -0.17 0.35 -0.01 0.00 -2.06 0.00 0.00 37.83 35.94 3hkz s LYS 468 CO 0.13 -0.35 0.71 -0.80 0.10 0.00 0.00 175.35 175.14 3hkz s ASN 469 N -2.93 5.97 0.41 0.03 0.02 -1.25 -0.99 114.94 116.21 3hkz s ASN 469 Ca 0.13 0.52 -0.14 0.00 -1.02 0.00 0.00 52.86 52.35 3hkz s ASN 469 Cb 0.04 -1.81 -0.08 0.00 0.02 0.00 0.00 41.25 39.43 3hkz s ASN 469 CO -0.04 -0.65 0.82 -0.76 0.02 0.00 0.00 177.10 176.49 3hkz s LEU 470 N -4.62 3.85 1.07 0.60 1.43 -1.12 -2.71 118.68 117.20 3hkz s LEU 470 Ca 0.47 1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 54.76 3hkz s LEU 470 Cb -0.10 -4.19 0.23 0.00 0.03 0.00 0.00 46.19 42.16 3hkz s LEU 470 CO 0.40 -0.39 1.07 0.00 0.23 0.00 0.00 176.35 177.67 3hkz s ALA 471 N -2.31 0.46 0.55 4.21 0.00 0.10 -3.92 121.76 120.85 3hkz s ALA 471 Ca 0.55 -0.37 0.32 0.00 0.00 0.00 0.00 51.96 52.45 3hkz s ALA 471 Cb -0.10 -3.13 1.82 0.00 0.00 0.00 0.00 23.12 21.71 3hkz s ALA 471 CO 0.26 -3.22 2.22 -0.07 0.00 0.00 0.00 175.76 174.95 3hkz h LEU 472 N -2.19 0.00 0.00 0.00 3.38 -1.49 -3.44 115.31 111.57 3hkz h LEU 472 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3hkz h LEU 472 Cb 1.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3hkz h LEU 472 CO 0.55 0.03 0.00 1.15 0.09 0.00 0.00 178.44 180.26 3hkz n MET 473 N -3.66 0.00 -2.72 1.13 0.00 -1.25 -4.85 117.12 105.77 3hkz n MET 473 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.59 3hkz n MET 473 Cb 0.12 0.00 0.09 0.00 0.00 0.00 0.00 33.22 33.44 3hkz n MET 473 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3hkz n ALA 474 N 0.00 -0.80 -1.08 3.17 0.00 -1.25 -4.82 120.51 115.73 3hkz n ALA 474 Ca 0.00 -1.32 0.14 0.00 0.00 0.00 0.00 53.44 52.26 3hkz n ALA 474 Cb 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 3hkz n ALA 474 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hkz n GLN 475 N 0.24 -2.34 -3.96 0.00 7.27 -1.26 -4.81 117.38 112.52 3hkz n GLN 475 Ca 0.03 1.74 -0.35 0.00 0.07 0.00 0.00 57.00 58.49 3hkz n GLN 475 Cb 0.72 -2.79 -0.11 0.00 2.41 0.00 0.00 30.24 30.47 3hkz n GLN 475 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 3hkz s ILE 476 N -2.92 4.55 0.69 1.69 -1.09 -1.26 -3.79 121.20 119.07 3hkz s ILE 476 Ca 0.00 -0.11 -0.13 0.00 -2.23 0.00 0.00 60.65 58.18 3hkz s ILE 476 Cb 0.00 -3.08 0.02 0.00 -1.58 0.00 0.00 42.46 37.82 3hkz s ILE 476 CO 0.00 0.42 1.10 0.00 -1.23 0.00 0.00 174.94 175.22 3hkz s ALA 477 N 0.82 2.44 -0.17 9.38 0.00 -1.21 -4.78 121.76 128.24 3hkz s ALA 477 Ca 0.03 0.42 0.05 0.00 0.00 0.00 0.00 51.96 52.46 3hkz s ALA 477 Cb -0.14 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 3hkz s ALA 477 CO 0.02 -1.39 0.19 1.33 0.00 0.00 0.00 175.76 175.92 3hkz n VAL 478 N -2.77 0.00 -4.96 0.00 0.24 -1.26 0.15 118.33 109.72 3hkz n VAL 478 Ca 0.10 -0.30 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 3hkz n VAL 478 Cb 0.52 0.81 0.00 0.00 -1.47 0.00 0.00 33.84 33.70 3hkz n VAL 478 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3hkz n GLY 479 N 1.45 1.03 3.33 7.63 0.00 -1.24 -3.32 105.19 114.06 3hkz n GLY 479 Ca 0.00 -0.63 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3hkz n GLY 479 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 480 N 0.00 0.00 0.29 -0.61 1.09 -1.26 -4.92 121.20 115.78 3hkz s ILE 480 Ca 0.00 -1.82 -0.29 0.00 -1.10 0.00 0.00 60.65 57.43 3hkz s ILE 480 Cb 0.00 -2.43 -0.10 0.00 -1.06 0.00 0.00 42.46 38.86 3hkz s ILE 480 CO 0.00 0.00 1.46 0.21 -0.10 0.00 0.00 174.94 176.51 3hkz s ASN 481 N -3.14 6.57 0.00 3.58 2.47 -1.26 -4.24 114.94 118.91 3hkz s ASN 481 Ca 0.34 2.79 0.00 0.00 0.42 0.00 0.00 52.86 56.41 3hkz s ASN 481 Cb 0.04 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.21 3hkz s ASN 481 CO 0.13 -0.74 0.40 -0.62 -3.72 0.00 0.00 177.10 172.54 3hkz n GLU 482 N 1.78 0.00 0.00 0.43 1.02 -1.26 -3.92 120.64 118.70 3hkz n GLU 482 Ca 0.05 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 3hkz n GLU 482 Cb 0.40 -0.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 3hkz n GLU 482 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hkz n ARG 483 N -0.58 0.00 0.10 3.49 5.12 -1.26 0.26 116.66 123.79 3hkz n ARG 483 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 3hkz n ARG 483 Cb 0.00 0.00 0.34 0.00 -1.16 0.00 0.00 32.46 31.64 3hkz n ARG 483 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3hkz n ILE 484 N -0.37 1.38 -0.11 0.55 -0.00 -1.25 -1.57 119.36 117.98 3hkz n ILE 484 Ca 0.00 0.64 -0.24 0.00 -0.00 0.00 0.00 62.75 63.15 3hkz n ILE 484 Cb 0.00 -1.64 -0.08 0.00 -0.00 0.00 0.00 39.64 37.92 3hkz n ILE 484 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.55 177.07 3hkz n VAL 485 N -1.94 1.25 0.06 1.39 0.31 0.74 -3.68 118.33 116.46 3hkz n VAL 485 Ca -0.01 -0.31 0.00 0.00 -0.01 0.00 0.00 64.34 64.02 3hkz n VAL 485 Cb 0.04 -1.82 0.02 0.00 -0.91 0.00 0.00 33.84 31.17 3hkz n VAL 485 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3hkz n GLU 486 N -4.02 0.03 -0.08 5.55 0.28 -0.97 -0.56 120.64 120.87 3hkz n GLU 486 Ca -0.44 0.00 -0.11 0.00 -0.16 0.00 0.00 57.16 56.45 3hkz n GLU 486 Cb 0.81 -1.37 -0.07 0.00 1.43 0.00 0.00 31.44 32.24 3hkz n GLU 486 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3hkz n LYS 487 N -0.87 0.37 0.17 3.44 5.02 -0.61 -4.20 118.16 121.47 3hkz n LYS 487 Ca 0.01 0.09 0.11 0.00 -2.02 0.00 0.00 58.31 56.50 3hkz n LYS 487 Cb 0.00 -1.27 0.60 0.00 -0.02 0.00 0.00 35.03 34.35 3hkz n LYS 487 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3hkz h THR 488 N -0.08 0.00 0.11 -0.18 2.02 -0.90 0.33 112.91 114.22 3hkz h THR 488 Ca -0.34 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 66.68 3hkz h THR 488 Cb 1.49 0.49 0.02 0.00 -1.74 0.00 0.00 68.15 68.41 3hkz h THR 488 CO -0.08 0.00 -0.70 -0.07 0.37 0.00 0.00 175.52 175.04 3hkz h LEU 489 N 0.00 0.38 -0.76 2.58 3.38 -1.37 -3.15 115.31 116.37 3hkz h LEU 489 Ca 0.00 -0.95 0.10 0.00 0.09 0.00 0.00 57.88 57.12 3hkz h LEU 489 Cb 0.05 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3hkz h LEU 489 CO 0.00 1.34 0.39 1.88 0.09 0.00 0.00 178.44 182.13 3hkz h TYR 490 N -0.49 0.69 0.00 1.13 0.05 -0.53 0.86 116.97 118.69 3hkz h TYR 490 Ca -0.13 0.03 -0.05 0.00 0.05 0.00 0.00 58.73 58.63 3hkz h TYR 490 Cb 1.53 -0.20 -0.01 0.00 1.01 0.00 0.00 36.73 39.07 3hkz h TYR 490 CO 0.21 0.24 -0.24 0.93 -1.05 0.00 0.00 178.16 178.24 3hkz h GLU 491 N 0.63 0.00 -0.33 4.88 5.08 -1.52 -2.28 114.58 121.04 3hkz h GLU 491 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3hkz h GLU 491 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hkz h GLU 491 CO -0.29 0.24 0.00 -1.33 -1.00 0.00 0.00 179.01 176.63 3hkz n MET 492 N -4.20 1.68 0.00 2.33 2.81 0.15 -4.86 117.12 115.04 3hkz n MET 492 Ca -0.02 -0.95 0.00 0.00 -1.81 0.00 0.00 57.70 54.92 3hkz n MET 492 Cb 0.30 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 3hkz n MET 492 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hkz n GLY 493 N 0.83 0.71 3.65 3.03 0.00 -0.86 -5.05 105.19 107.51 3hkz n GLY 493 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 3hkz n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 494 N -2.00 3.65 -0.09 1.61 1.01 -0.36 -4.93 120.40 119.30 3hkz s VAL 494 Ca 0.00 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 62.53 3hkz s VAL 494 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3hkz s VAL 494 CO 0.00 -0.11 0.71 -0.69 0.00 0.00 0.00 175.10 175.01 3hkz s VAL 495 N 4.27 5.02 0.24 2.92 1.01 -1.20 -4.27 120.40 128.40 3hkz s VAL 495 Ca 0.72 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.83 3hkz s VAL 495 Cb -0.31 -4.04 -0.13 0.00 0.00 0.00 0.00 36.38 31.90 3hkz s VAL 495 CO 0.28 0.21 1.55 -2.65 0.00 0.00 0.00 175.10 174.49 3hkz n PRO 496 N 4.06 2.38 0.09 2.72 -0.02 -1.26 -3.05 135.00 139.93 3hkz n PRO 496 Ca -0.01 0.85 -0.16 0.00 -2.02 0.00 0.00 63.50 62.17 3hkz n PRO 496 Cb 0.51 -2.60 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 3hkz n PRO 496 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3hkz h VAL 497 N 3.36 0.00 -0.87 -1.45 2.07 -1.69 -3.07 116.25 114.60 3hkz h VAL 497 Ca -0.45 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.30 3hkz h VAL 497 Cb 1.24 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.87 3hkz h VAL 497 CO 0.82 0.00 0.15 -0.33 0.02 0.00 0.00 177.57 178.24 3hkz h GLU 498 N -0.71 0.14 0.00 1.57 5.08 -1.93 0.16 114.58 118.90 3hkz h GLU 498 Ca -0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hkz h GLU 498 Cb 0.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hkz h GLU 498 CO -0.30 0.09 0.43 0.39 -1.00 0.00 0.00 179.01 178.62 3hkz n GLU 499 N -5.30 0.07 -3.14 2.33 1.02 -1.16 -4.34 120.64 110.12 3hkz n GLU 499 Ca 0.20 0.53 -0.42 0.00 -0.02 0.00 0.00 57.16 57.45 3hkz n GLU 499 Cb 0.66 -2.13 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 3hkz n GLU 499 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hkz s VAL 500 N -3.19 4.91 -0.34 2.62 1.01 0.57 -5.12 120.40 120.86 3hkz s VAL 500 Ca -0.01 0.51 0.13 0.00 0.00 0.00 0.00 61.98 62.61 3hkz s VAL 500 Cb 0.03 -4.06 0.46 0.00 0.00 0.00 0.00 36.38 32.80 3hkz s VAL 500 CO 0.08 -0.31 1.08 -0.38 0.00 0.00 0.00 175.10 175.56 3hkz n ILE 501 N 5.57 1.75 0.00 2.22 -0.00 -1.26 -5.09 119.36 122.55 3hkz n ILE 501 Ca -0.02 -3.81 0.00 0.00 -0.00 0.00 0.00 62.75 58.92 3hkz n ILE 501 Cb 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 3hkz n ILE 501 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 3hkz n LEU 515 N -0.42 0.00 -0.43 1.39 4.32 -1.26 -5.18 117.00 115.42 3hkz n LEU 515 Ca 0.24 0.00 0.12 0.00 -0.02 0.00 0.00 56.01 56.35 3hkz n LEU 515 Cb 0.80 0.15 0.47 0.00 -1.62 0.00 0.00 43.42 43.22 3hkz n LEU 515 CO 0.27 -0.15 0.83 0.29 -1.22 0.00 0.00 177.39 177.41 3hkz n LYS 516 N -1.44 1.57 -2.19 3.23 5.02 -1.26 -4.92 118.16 118.17 3hkz n LYS 516 Ca 0.00 -0.85 -0.34 0.00 -2.02 0.00 0.00 58.31 55.10 3hkz n LYS 516 Cb 0.00 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3hkz n LYS 516 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hkz s TRP 517 N -1.88 2.71 -0.28 2.13 0.51 -1.26 -4.79 118.94 116.08 3hkz s TRP 517 Ca 0.34 1.55 -0.13 0.00 -2.12 0.00 0.00 56.10 55.73 3hkz s TRP 517 Cb 0.18 -3.23 -0.04 0.00 -0.81 0.00 0.00 33.47 29.57 3hkz s TRP 517 CO 0.28 -1.50 0.31 -1.54 -0.51 0.00 0.00 176.95 173.99 3hkz s SER 518 N -1.99 6.16 0.45 2.95 1.04 -1.25 -4.79 113.70 116.27 3hkz s SER 518 Ca 0.71 0.16 -0.23 0.00 0.48 0.00 0.00 55.95 57.07 3hkz s SER 518 Cb -0.22 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 63.64 3hkz s SER 518 CO 0.29 -0.14 1.12 -0.54 0.98 0.00 0.00 173.24 174.96 3hkz s LYS 519 N 1.95 3.86 -0.11 4.02 1.02 -1.26 -1.51 119.74 127.71 3hkz s LYS 519 Ca 0.12 1.67 -0.03 0.00 0.02 0.00 0.00 55.97 57.75 3hkz s LYS 519 Cb -0.16 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.70 3hkz s LYS 519 CO 0.10 -0.44 -0.01 0.08 -0.92 0.00 0.00 175.35 174.17 3hkz s VAL 520 N -1.61 4.20 -0.22 3.17 1.01 0.11 -0.71 120.40 126.35 3hkz s VAL 520 Ca 0.62 -0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.32 3hkz s VAL 520 Cb -0.26 -2.80 0.06 0.00 0.00 0.00 0.00 36.38 33.39 3hkz s VAL 520 CO 0.32 0.56 -0.01 -0.63 0.00 0.00 0.00 175.10 175.33 3hkz s ILE 521 N -0.38 1.09 -0.33 2.22 1.09 -0.03 -2.07 121.20 122.79 3hkz s ILE 521 Ca 0.07 -0.95 -0.11 0.00 -1.10 0.00 0.00 60.65 58.56 3hkz s ILE 521 Cb -0.12 -1.48 -0.00 0.00 -1.06 0.00 0.00 42.46 39.80 3hkz s ILE 521 CO 0.02 -0.17 0.18 -0.22 -0.10 0.00 0.00 174.94 174.66 3hkz s LEU 522 N 1.59 4.31 -1.33 2.97 1.98 0.17 -0.55 118.68 127.83 3hkz s LEU 522 Ca -0.03 -0.57 -0.04 0.00 -2.89 0.00 0.00 54.13 50.59 3hkz s LEU 522 Cb -0.18 -2.04 0.02 0.00 0.66 0.00 0.00 46.19 44.65 3hkz s LEU 522 CO -0.07 -0.24 0.92 0.59 -1.89 0.00 0.00 176.35 175.66 3hkz n ASN 523 N 5.02 -3.06 -3.46 3.68 4.13 -0.96 -1.45 115.26 119.15 3hkz n ASN 523 Ca -0.13 -0.71 -0.23 0.00 1.68 0.00 0.00 54.58 55.19 3hkz n ASN 523 Cb 0.49 -4.49 0.08 0.00 -1.54 0.00 0.00 39.78 34.32 3hkz n ASN 523 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hkz n GLY 524 N -1.56 -0.48 2.93 7.41 0.00 -1.26 -4.51 105.19 107.71 3hkz n GLY 524 Ca -0.17 0.21 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3hkz n GLY 524 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hkz s ARG 525 N -6.22 0.12 -0.54 1.61 3.52 -0.53 -4.02 118.95 112.90 3hkz s ARG 525 Ca 0.54 0.64 -0.27 0.00 -0.13 0.00 0.00 55.73 56.51 3hkz s ARG 525 Cb -0.24 -0.22 0.03 0.00 -1.56 0.00 0.00 34.95 32.96 3hkz s ARG 525 CO 0.70 -0.33 1.08 -1.17 -0.81 0.00 0.00 175.30 174.76 3hkz s LEU 526 N 2.38 3.74 -0.09 -0.88 0.20 -1.26 0.45 118.68 123.21 3hkz s LEU 526 Ca 0.02 0.04 -0.23 0.00 0.69 0.00 0.00 54.13 54.65 3hkz s LEU 526 Cb -0.12 -3.14 -0.20 0.00 -0.43 0.00 0.00 46.19 42.30 3hkz s LEU 526 CO -0.08 -1.31 0.80 0.40 -0.29 0.00 0.00 176.35 175.87 3hkz h ILE 527 N 6.12 1.30 0.00 6.68 1.08 -1.77 -3.47 117.51 127.46 3hkz h ILE 527 Ca -0.25 -1.69 0.00 0.00 -0.39 0.00 0.00 64.86 62.53 3hkz h ILE 527 Cb 1.06 2.33 0.00 0.00 -3.07 0.00 0.00 36.82 37.15 3hkz h ILE 527 CO 1.13 0.39 0.00 0.61 -0.69 0.00 0.00 178.15 179.59 3hkz n GLY 528 N 1.13 -0.65 3.55 5.37 0.00 -1.25 -1.76 105.19 111.59 3hkz n GLY 528 Ca -0.08 -0.50 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 3hkz n GLY 528 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 529 N -3.37 1.93 0.00 1.61 1.51 -1.17 0.10 117.35 117.96 3hkz s TYR 529 Ca 0.00 -1.05 0.00 0.00 -1.01 0.00 0.00 57.07 55.01 3hkz s TYR 529 Cb 0.00 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.51 3hkz s TYR 529 CO 0.00 -0.02 0.00 2.48 -1.11 0.00 0.00 175.55 176.90 3hkz n TYR 530 N -0.90 0.00 -1.11 2.71 0.18 -0.57 -3.22 117.16 114.25 3hkz n TYR 530 Ca -0.07 0.00 -0.34 0.00 1.88 0.00 0.00 57.90 59.37 3hkz n TYR 530 Cb 0.66 0.00 0.10 0.00 -0.38 0.00 0.00 39.34 39.72 3hkz n TYR 530 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hkz n GLN 531 N 0.00 0.14 -3.26 -3.48 0.00 -1.26 -3.83 117.38 105.69 3hkz n GLN 531 Ca 0.00 0.11 -0.12 0.00 0.00 0.00 0.00 57.00 56.98 3hkz n GLN 531 Cb 0.00 -2.09 0.04 0.00 0.00 0.00 0.00 30.24 28.19 3hkz n GLN 531 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3hkz n ASP 532 N -1.71 -6.82 0.17 2.61 -0.08 -1.26 -4.85 116.55 104.61 3hkz n ASP 532 Ca 0.11 -0.55 -0.13 0.00 -1.51 0.00 0.00 54.79 52.71 3hkz n ASP 532 Cb 0.51 -4.91 -0.08 0.00 2.34 0.00 0.00 41.12 38.98 3hkz n ASP 532 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3hkz h GLY 533 N -0.64 -0.48 0.28 0.27 0.00 -1.89 -3.24 103.07 97.37 3hkz h GLY 533 Ca -0.42 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hkz h GLY 533 CO 0.40 -0.18 0.13 0.61 0.00 0.00 0.00 176.54 177.50 3hkz n GLY 534 N -0.24 -0.04 0.01 4.60 0.00 -1.26 0.11 105.19 108.37 3hkz n GLY 534 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 3hkz n GLY 534 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 535 N -0.77 1.96 -0.32 1.61 1.02 -1.22 -4.39 120.64 118.52 3hkz n GLU 535 Ca 0.00 -0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.26 3hkz n GLU 535 Cb 0.13 -1.08 0.29 0.00 -0.02 0.00 0.00 31.44 30.75 3hkz n GLU 535 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3hkz h LEU 536 N 0.00 -0.33 -0.95 -4.62 7.12 0.80 0.25 115.31 117.59 3hkz h LEU 536 Ca -0.05 0.25 0.10 0.00 0.13 0.00 0.00 57.88 58.32 3hkz h LEU 536 Cb 0.73 0.41 -0.12 0.00 -0.53 0.00 0.00 40.66 41.15 3hkz h LEU 536 CO 0.00 -0.30 -0.50 0.00 -0.13 0.00 0.00 178.44 177.51 3hkz n ALA 537 N -2.98 -0.46 0.25 1.25 0.00 -1.16 -0.85 120.51 116.57 3hkz n ALA 537 Ca 0.22 0.85 0.11 0.00 0.00 0.00 0.00 53.44 54.62 3hkz n ALA 537 Cb 0.73 -0.22 0.67 0.00 0.00 0.00 0.00 19.45 20.63 3hkz n ALA 537 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3hkz h ASN 538 N 0.00 0.00 0.03 0.00 2.35 -1.19 0.55 115.58 117.33 3hkz h ASN 538 Ca 0.20 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3hkz h ASN 538 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 3hkz h ASN 538 CO -0.90 0.15 -0.02 0.11 -1.65 0.00 0.00 177.43 175.11 3hkz h LYS 539 N 0.00 -0.04 -0.85 0.81 1.57 -0.74 0.11 116.57 117.42 3hkz h LYS 539 Ca -0.00 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 3hkz h LYS 539 Cb 0.37 0.01 -0.16 0.00 0.08 0.00 0.00 32.23 32.53 3hkz h LYS 539 CO 0.02 -0.03 -0.19 0.82 -0.57 0.00 0.00 179.45 179.50 3hkz h ILE 540 N -0.05 0.15 -0.03 1.86 1.08 -0.94 0.15 117.51 119.72 3hkz h ILE 540 Ca -0.00 -0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 3hkz h ILE 540 Cb 0.03 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 33.93 3hkz h ILE 540 CO 0.01 0.00 -0.01 0.03 -0.69 0.00 0.00 178.15 177.49 3hkz h ARG 541 N 0.01 0.07 0.00 2.37 3.08 0.04 0.41 114.38 120.36 3hkz h ARG 541 Ca 0.42 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.41 3hkz h ARG 541 Cb 0.66 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3hkz h ARG 541 CO -0.87 0.44 -0.17 0.93 -1.07 0.00 0.00 179.97 179.22 3hkz h GLU 542 N -0.30 0.00 0.15 0.04 5.08 -0.28 0.20 114.58 119.47 3hkz h GLU 542 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 3hkz h GLU 542 Cb 0.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3hkz h GLU 542 CO 0.00 0.17 -0.07 0.00 -1.00 0.00 0.00 179.01 178.12 3hkz h ARG 543 N 0.00 -0.19 -1.40 2.33 3.08 -0.56 -0.72 114.38 116.92 3hkz h ARG 543 Ca -0.00 0.01 0.40 0.00 0.07 0.00 0.00 59.98 60.47 3hkz h ARG 543 Cb 0.36 0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 3hkz h ARG 543 CO 0.02 -0.13 1.00 -0.09 -1.07 0.00 0.00 179.97 179.71 3hkz h ARG 544 N -0.77 0.02 0.04 0.04 1.12 -0.12 0.33 114.38 115.03 3hkz h ARG 544 Ca -0.02 -0.00 -0.00 0.00 -1.11 0.00 0.00 59.98 58.85 3hkz h ARG 544 Cb 0.15 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 3hkz h ARG 544 CO 0.03 0.01 -0.02 0.00 -3.11 0.00 0.00 179.97 176.88 3hkz h ARG 545 N 0.02 -0.05 -0.22 0.20 3.08 -0.61 -3.01 114.38 113.78 3hkz h ARG 545 Ca 0.67 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.73 3hkz h ARG 545 Cb 2.65 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.71 3hkz h ARG 545 CO -0.03 0.43 0.00 1.63 -1.07 0.00 0.00 179.97 180.93 3hkz n LYS 546 N -4.88 0.57 -3.79 0.04 4.76 0.11 -3.08 118.16 111.89 3hkz n LYS 546 Ca -0.09 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.02 3hkz n LYS 546 Cb 0.26 -1.11 0.03 0.00 -1.84 0.00 0.00 35.03 32.36 3hkz n LYS 546 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkz n GLY 547 N 0.13 -1.02 0.00 0.72 0.00 -0.52 -4.86 105.19 99.63 3hkz n GLY 547 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.47 3hkz n GLY 547 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hkz n GLU 548 N -4.03 0.48 -3.89 1.61 2.13 -0.84 -4.99 120.64 111.10 3hkz n GLU 548 Ca -0.13 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.41 3hkz n GLU 548 Cb 0.59 -0.60 -0.03 0.00 0.27 0.00 0.00 31.44 31.67 3hkz n GLU 548 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 3hkz s ILE 549 N -1.21 5.32 0.82 6.31 -1.09 -1.21 -4.89 121.20 125.26 3hkz s ILE 549 Ca 0.00 -0.53 -0.10 0.00 -2.23 0.00 0.00 60.65 57.79 3hkz s ILE 549 Cb 0.00 -3.71 0.09 0.00 -1.58 0.00 0.00 42.46 37.26 3hkz s ILE 549 CO 0.00 -0.03 1.11 -0.55 -1.23 0.00 0.00 174.94 174.24 3hkz s SER 550 N -2.99 3.93 -0.35 3.58 0.15 -1.26 -4.15 113.70 112.61 3hkz s SER 550 Ca 0.35 1.95 0.02 0.00 0.70 0.00 0.00 55.95 58.98 3hkz s SER 550 Cb -0.12 -2.54 0.46 0.00 -1.71 0.00 0.00 66.02 62.11 3hkz s SER 550 CO 0.28 -2.42 1.72 0.47 1.20 0.00 0.00 173.24 174.49 3hkz n ASP 551 N -3.78 4.11 -0.43 5.45 10.43 -1.26 -3.40 116.55 127.68 3hkz n ASP 551 Ca 0.10 -3.20 0.00 0.00 2.57 0.00 0.00 54.79 54.26 3hkz n ASP 551 Cb 0.53 -0.79 0.00 0.00 1.84 0.00 0.00 41.12 42.70 3hkz n ASP 551 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 3hkz n GLU 552 N -0.61 0.05 -3.96 -1.24 -0.58 -1.26 -4.94 120.64 108.10 3hkz n GLU 552 Ca 0.44 -0.99 -0.34 0.00 -0.42 0.00 0.00 57.16 55.84 3hkz n GLU 552 Cb 1.23 -0.53 -0.14 0.00 -0.57 0.00 0.00 31.44 31.42 3hkz n GLU 552 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hkz s VAL 553 N -0.09 2.69 -0.09 2.62 1.01 -1.22 -4.49 120.40 120.83 3hkz s VAL 553 Ca 0.01 -1.51 0.03 0.00 0.00 0.00 0.00 61.98 60.51 3hkz s VAL 553 Cb 0.01 -2.58 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 3hkz s VAL 553 CO 0.00 -0.10 -0.19 0.20 0.00 0.00 0.00 175.10 175.01 3hkz s ASN 554 N 1.20 3.55 -0.15 3.32 0.01 0.15 -4.92 114.94 118.10 3hkz s ASN 554 Ca -0.06 -0.41 -0.02 0.00 -0.71 0.00 0.00 52.86 51.67 3hkz s ASN 554 Cb -0.20 -1.22 0.05 0.00 0.41 0.00 0.00 41.25 40.29 3hkz s ASN 554 CO -0.03 0.22 0.00 -0.69 -1.51 0.00 0.00 177.10 175.09 3hkz s VAL 555 N 0.02 0.66 0.39 1.60 1.01 -1.26 0.19 120.40 123.01 3hkz s VAL 555 Ca -0.07 -0.41 0.08 0.00 0.00 0.00 0.00 61.98 61.58 3hkz s VAL 555 Cb -0.15 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.22 3hkz s VAL 555 CO 0.05 0.01 0.26 -0.83 0.00 0.00 0.00 175.10 174.59 3hkz s GLY 556 N 1.82 2.11 -0.25 4.51 0.00 -0.26 -4.68 107.32 110.58 3hkz s GLY 556 Ca 0.01 -1.91 -0.04 0.00 0.00 0.00 0.00 44.72 42.78 3hkz s GLY 556 CO -0.07 -1.76 0.15 0.30 0.00 0.00 0.00 173.10 171.72 3hkz s HIS 557 N -2.48 0.11 -0.24 1.90 3.76 -1.26 -1.21 115.29 115.87 3hkz s HIS 557 Ca 0.43 -0.51 -0.29 0.00 -0.15 0.00 0.00 55.06 54.54 3hkz s HIS 557 Cb -0.01 -0.73 0.00 0.00 1.11 0.00 0.00 32.58 32.95 3hkz s HIS 557 CO 0.25 -0.73 1.15 0.42 -0.85 0.00 0.00 174.74 174.98 3hkz s ILE 558 N 2.17 4.45 0.00 0.60 -1.09 0.04 -4.88 121.20 122.50 3hkz s ILE 558 Ca 0.07 1.72 0.00 0.00 -2.23 0.00 0.00 60.65 60.21 3hkz s ILE 558 Cb -0.16 -4.23 0.00 0.00 -1.58 0.00 0.00 42.46 36.50 3hkz s ILE 558 CO -0.26 -0.28 0.00 0.52 -1.23 0.00 0.00 174.94 173.69 3hkz n VAL 559 N 5.59 0.00 -0.90 2.92 0.31 -1.26 -3.15 118.33 121.83 3hkz n VAL 559 Ca 0.13 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.57 3hkz n VAL 559 Cb 0.46 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.33 3hkz n VAL 559 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hkz n THR 560 N 0.00 -0.44 0.76 2.52 -1.04 -1.26 -4.04 114.28 110.78 3hkz n THR 560 Ca 0.00 0.52 0.11 0.00 -2.04 0.00 0.00 64.05 62.64 3hkz n THR 560 Cb 0.00 -0.83 0.29 0.00 -1.82 0.00 0.00 70.33 67.97 3hkz n THR 560 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 3hkz n ASP 561 N -3.51 2.52 0.00 8.00 9.92 -1.26 -4.37 116.55 127.84 3hkz n ASP 561 Ca -0.05 -1.87 0.00 0.00 -0.53 0.00 0.00 54.79 52.34 3hkz n ASP 561 Cb 0.43 -0.19 0.00 0.00 -0.64 0.00 0.00 41.12 40.72 3hkz n ASP 561 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3hkz n PHE 562 N 0.88 0.00 -3.98 1.24 3.01 -1.26 -5.09 117.46 112.26 3hkz n PHE 562 Ca 0.17 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.42 3hkz n PHE 562 Cb 0.45 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 3hkz n PHE 562 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3hkz s ILE 563 N -1.35 4.83 -0.00 4.37 1.01 -1.26 -5.04 121.20 123.75 3hkz s ILE 563 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.50 3hkz s ILE 563 Cb 0.00 -3.64 0.01 0.00 0.01 0.00 0.00 42.46 38.83 3hkz s ILE 563 CO 0.00 -0.32 0.70 -3.20 0.00 0.00 0.00 174.94 172.12 3hkz n ASN 564 N -1.34 0.16 -4.77 3.58 4.05 -1.26 -4.44 115.26 111.24 3hkz n ASN 564 Ca -0.08 -1.41 -0.39 0.00 0.45 0.00 0.00 54.58 53.16 3hkz n ASN 564 Cb 0.57 -0.07 -0.05 0.00 1.23 0.00 0.00 39.78 41.46 3hkz n ASN 564 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 3hkz s GLU 565 N -0.12 4.61 -0.15 1.20 2.02 -1.19 -4.02 118.70 121.05 3hkz s GLU 565 Ca 0.01 1.54 0.00 0.00 0.02 0.00 0.00 54.97 56.54 3hkz s GLU 565 Cb 0.01 -3.01 -0.00 0.00 0.10 0.00 0.00 34.13 31.23 3hkz s GLU 565 CO 0.00 0.26 -0.15 0.08 0.02 0.00 0.00 175.26 175.48 3hkz s VAL 566 N -1.37 2.69 -0.28 2.63 1.01 0.11 -0.78 120.40 124.42 3hkz s VAL 566 Ca 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3hkz s VAL 566 Cb -0.25 -2.14 0.05 0.00 0.00 0.00 0.00 36.38 34.04 3hkz s VAL 566 CO 0.32 0.51 -0.05 -1.00 0.00 0.00 0.00 175.10 174.88 3hkz s HIS 567 N 0.81 3.23 0.11 5.22 0.09 -0.35 -0.85 115.29 123.55 3hkz s HIS 567 Ca -0.05 -2.00 -0.18 0.00 -0.00 0.00 0.00 55.06 52.83 3hkz s HIS 567 Cb -0.15 -2.03 -0.07 0.00 -0.00 0.00 0.00 32.58 30.33 3hkz s HIS 567 CO 0.00 -0.82 0.58 0.08 -0.00 0.00 0.00 174.74 174.57 3hkz s VAL 568 N 1.21 4.76 0.01 -0.90 1.01 0.29 -1.10 120.40 125.68 3hkz s VAL 568 Ca -0.06 1.09 0.01 0.00 0.00 0.00 0.00 61.98 63.03 3hkz s VAL 568 Cb -0.19 -3.84 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 3hkz s VAL 568 CO -0.03 0.42 -0.05 0.20 0.00 0.00 0.00 175.10 175.63 3hkz s ASN 569 N -1.37 0.55 0.00 3.32 0.01 0.51 -2.27 114.94 115.69 3hkz s ASN 569 Ca 0.33 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.23 3hkz s ASN 569 Cb -0.18 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.47 3hkz s ASN 569 CO 0.19 -0.06 0.00 0.00 -1.51 0.00 0.00 177.10 175.72 3hkz n ASP 571 N 0.00 0.00 -4.59 0.00 5.68 -1.26 -4.36 116.55 112.03 3hkz n ASP 571 Ca 0.00 0.00 -0.42 0.00 -0.50 0.00 0.00 54.79 53.87 3hkz n ASP 571 Cb 0.00 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.53 3hkz n ASP 571 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 3hkz s SER 572 N -0.98 5.69 0.00 -1.12 0.01 -1.21 -3.73 113.70 112.36 3hkz s SER 572 Ca 0.00 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.43 3hkz s SER 572 Cb 0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.71 3hkz s SER 572 CO 0.00 -1.89 0.00 0.61 0.41 0.00 0.00 173.24 172.37 3hkz n GLY 573 N 5.51 2.46 0.00 3.44 0.00 0.12 -4.85 105.19 111.88 3hkz n GLY 573 Ca 0.24 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3hkz n GLY 573 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hkz n ARG 574 N 0.04 0.00 -2.31 1.61 1.85 -1.26 -4.38 116.66 112.21 3hkz n ARG 574 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.42 3hkz n ARG 574 Cb 0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 32.46 31.39 3hkz n ARG 574 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3hkz s VAL 575 N 0.00 4.05 0.03 8.89 1.01 -1.26 -3.28 120.40 129.84 3hkz s VAL 575 Ca 0.00 1.24 0.06 0.00 0.00 0.00 0.00 61.98 63.28 3hkz s VAL 575 Cb 0.00 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 3hkz s VAL 575 CO 0.00 -0.24 -0.18 0.00 0.00 0.00 0.00 175.10 174.69 3hkz s ARG 576 N 3.94 1.24 -0.08 2.72 1.70 -1.25 -4.77 118.95 122.45 3hkz s ARG 576 Ca 0.60 -0.79 -0.05 0.00 -0.47 0.00 0.00 55.73 55.02 3hkz s ARG 576 Cb -0.22 -1.28 -0.04 0.00 -0.57 0.00 0.00 34.95 32.84 3hkz s ARG 576 CO 0.21 0.33 0.15 0.50 -1.08 0.00 0.00 175.30 175.41 3hkz s ARG 577 N -0.94 3.42 -0.34 3.89 6.06 -0.65 -3.92 118.95 126.46 3hkz s ARG 577 Ca 0.05 -0.20 -0.14 0.00 -2.50 0.00 0.00 55.73 52.94 3hkz s ARG 577 Cb -0.08 -3.15 -0.01 0.00 0.06 0.00 0.00 34.95 31.77 3hkz s ARG 577 CO 0.01 0.74 0.32 -1.25 -2.50 0.00 0.00 175.30 172.62 3hkz s PRO 578 N -1.32 3.55 0.31 5.12 0.04 -1.26 -0.28 135.00 141.15 3hkz s PRO 578 Ca 0.19 -0.49 0.09 0.00 0.04 0.00 0.00 61.00 60.83 3hkz s PRO 578 Cb -0.12 -3.80 -0.05 0.00 0.04 0.00 0.00 34.50 30.57 3hkz s PRO 578 CO 0.09 -0.49 0.04 -0.51 0.04 0.00 0.00 177.00 176.16 3hkz s LEU 579 N 1.92 3.12 0.36 -3.56 1.43 -0.74 -4.70 118.68 116.51 3hkz s LEU 579 Ca 0.10 -0.82 -0.22 0.00 -1.03 0.00 0.00 54.13 52.16 3hkz s LEU 579 Cb -0.17 -1.57 -0.10 0.00 0.03 0.00 0.00 46.19 44.38 3hkz s LEU 579 CO 0.11 -0.17 0.91 -0.63 0.23 0.00 0.00 176.35 176.80 3hkz s ILE 580 N -2.43 4.36 -0.10 -0.59 1.01 -1.25 -2.12 121.20 120.09 3hkz s ILE 580 Ca 0.34 1.55 -0.13 0.00 0.00 0.00 0.00 60.65 62.42 3hkz s ILE 580 Cb -0.03 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3hkz s ILE 580 CO 0.20 -0.09 0.30 -0.63 0.00 0.00 0.00 174.94 174.72 3hkz s ILE 581 N -1.90 5.26 -0.36 2.92 -1.09 -0.29 -2.09 121.20 123.65 3hkz s ILE 581 Ca 0.55 0.57 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 3hkz s ILE 581 Cb -0.13 -3.61 0.13 0.00 -1.58 0.00 0.00 42.46 37.27 3hkz s ILE 581 CO 0.18 0.50 0.20 -0.69 -1.23 0.00 0.00 174.94 173.91 3hkz s VAL 582 N -0.36 0.42 0.00 2.92 1.01 0.46 -4.61 120.40 120.24 3hkz s VAL 582 Ca 0.19 -1.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.20 3hkz s VAL 582 Cb -0.14 -1.31 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 3hkz s VAL 582 CO 0.07 -0.93 0.51 -0.94 0.00 0.00 0.00 175.10 173.81 3hkz s SER 583 N 1.04 6.91 -1.39 3.32 1.04 -1.26 -3.97 113.70 119.38 3hkz s SER 583 Ca 0.17 1.08 -0.00 0.00 0.48 0.00 0.00 55.95 57.68 3hkz s SER 583 Cb -0.22 -2.32 0.00 0.00 0.10 0.00 0.00 66.02 63.58 3hkz s SER 583 CO -0.04 0.21 0.45 0.59 0.98 0.00 0.00 173.24 175.44 3hkz n ASN 584 N 2.27 -0.40 -3.88 7.02 3.02 -1.26 -3.12 115.26 118.90 3hkz n ASN 584 Ca -0.10 -0.98 -0.35 0.00 -0.03 0.00 0.00 54.58 53.12 3hkz n ASN 584 Cb 0.51 -3.19 0.02 0.00 -0.61 0.00 0.00 39.78 36.52 3hkz n ASN 584 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 585 N -1.93 -0.77 3.02 7.41 0.00 -1.19 -5.00 105.19 106.74 3hkz n GLY 585 Ca -0.31 0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.92 3hkz n GLY 585 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkz s ASN 586 N -3.69 0.78 0.00 1.61 0.01 -1.18 -4.91 114.94 107.55 3hkz s ASN 586 Ca 0.37 -0.38 0.00 0.00 -0.71 0.00 0.00 52.86 52.15 3hkz s ASN 586 Cb -0.16 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.49 3hkz s ASN 586 CO 0.91 -0.10 0.00 -2.65 -1.51 0.00 0.00 177.10 173.75 3hkz n PRO 587 N 2.03 0.00 -3.15 -0.60 -0.02 -1.26 -3.99 135.00 128.01 3hkz n PRO 587 Ca -0.19 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.34 3hkz n PRO 587 Cb 0.56 0.00 -0.01 0.00 -0.02 0.00 0.00 33.50 34.03 3hkz n PRO 587 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3hkz s LEU 588 N 0.00 -0.78 0.00 2.45 1.43 -1.26 -4.89 118.68 115.63 3hkz s LEU 588 Ca 0.00 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3hkz s LEU 588 Cb 0.00 1.58 0.00 0.00 0.03 0.00 0.00 46.19 47.80 3hkz s LEU 588 CO 0.00 -0.14 0.00 0.52 0.23 0.00 0.00 176.35 176.96 3hkz n VAL 589 N 5.36 0.00 -0.19 -1.59 0.31 -1.26 -4.45 118.33 116.51 3hkz n VAL 589 Ca 0.00 0.47 0.03 0.00 -0.01 0.00 0.00 64.34 64.83 3hkz n VAL 589 Cb 0.54 -1.47 0.07 0.00 -0.91 0.00 0.00 33.84 32.08 3hkz n VAL 589 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3hkz n THR 590 N -2.48 -0.22 -0.26 2.52 -1.04 -1.26 0.15 114.28 111.69 3hkz n THR 590 Ca 0.00 1.19 -0.07 0.00 -2.04 0.00 0.00 64.05 63.14 3hkz n THR 590 Cb 0.00 -1.65 -0.06 0.00 -1.82 0.00 0.00 70.33 66.80 3hkz n THR 590 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3hkz n ILE 591 N -4.85 -0.41 -0.29 12.58 -0.00 -1.26 -0.60 119.36 124.52 3hkz n ILE 591 Ca 0.08 1.50 0.09 0.00 -0.00 0.00 0.00 62.75 64.42 3hkz n ILE 591 Cb 0.26 -1.85 0.22 0.00 -0.00 0.00 0.00 39.64 38.26 3hkz n ILE 591 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 3hkz h GLU 592 N 0.00 0.09 0.00 0.38 4.39 0.12 -1.45 114.58 118.11 3hkz h GLU 592 Ca 0.10 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.79 3hkz h GLU 592 Cb 0.25 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3hkz h GLU 592 CO -0.57 0.06 0.00 -0.44 -1.16 0.00 0.00 179.01 176.90 3hkz h ASP 593 N 0.10 0.00 0.05 1.42 3.32 -0.88 -2.89 116.42 117.53 3hkz h ASP 593 Ca 0.49 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.44 3hkz h ASP 593 Cb 0.93 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.49 3hkz h ASP 593 CO -0.74 0.00 -0.41 0.40 -1.72 0.00 0.00 179.24 176.77 3hkz h ILE 594 N 0.00 1.59 -0.13 0.35 1.08 -1.16 -3.37 117.51 115.87 3hkz h ILE 594 Ca 0.00 -2.26 -0.09 0.00 -0.39 0.00 0.00 64.86 62.11 3hkz h ILE 594 Cb 0.25 3.07 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 3hkz h ILE 594 CO 0.00 0.62 -0.33 -0.33 -0.69 0.00 0.00 178.15 177.42 3hkz h GLU 595 N -0.55 0.26 -0.83 2.37 5.08 -1.57 -3.13 114.58 116.20 3hkz h GLU 595 Ca -0.06 -0.10 0.21 0.00 -1.00 0.00 0.00 59.36 58.40 3hkz h GLU 595 Cb 1.25 -0.01 -0.13 0.00 0.50 0.00 0.00 28.75 30.35 3hkz h GLU 595 CO 0.08 0.57 0.17 0.87 -1.00 0.00 0.00 179.01 179.70 3hkz h LYS 596 N 0.23 0.19 -1.23 2.33 1.57 -1.72 -2.55 116.57 115.40 3hkz h LYS 596 Ca 0.03 -0.01 -0.52 0.00 -1.87 0.00 0.00 60.65 58.28 3hkz h LYS 596 Cb 0.70 -0.04 -0.42 0.00 0.08 0.00 0.00 32.23 32.55 3hkz h LYS 596 CO 0.05 0.13 -0.85 1.28 -0.57 0.00 0.00 179.45 179.49 3hkz n LEU 597 N -5.24 3.98 -0.09 2.94 4.77 -1.24 -5.06 117.00 117.07 3hkz n LEU 597 Ca 0.18 -4.74 0.00 0.00 -0.03 0.00 0.00 56.01 51.43 3hkz n LEU 597 Cb 0.60 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hkz n LEU 597 CO 0.07 2.03 0.00 -0.62 -1.33 0.00 0.00 177.39 177.53 3hkz n GLU 598 N -0.45 0.00 -4.39 3.23 1.02 -0.96 -5.09 120.64 114.00 3hkz n GLU 598 Ca 0.33 0.09 -0.25 0.00 -0.02 0.00 0.00 57.16 57.30 3hkz n GLU 598 Cb 0.75 0.00 -0.13 0.00 -0.02 0.00 0.00 31.44 32.04 3hkz n GLU 598 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3hkz s SER 599 N -0.82 2.60 0.11 1.62 1.04 -1.18 -4.55 113.70 112.51 3hkz s SER 599 Ca 0.00 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 55.86 3hkz s SER 599 Cb 0.00 -0.16 -0.20 0.00 0.10 0.00 0.00 66.02 65.76 3hkz s SER 599 CO 0.00 0.10 1.21 1.23 0.98 0.00 0.00 173.24 176.75 3hkz h GLY 600 N 4.26 0.00 1.64 7.32 0.00 -1.98 -3.27 103.07 111.04 3hkz h GLY 600 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3hkz h GLY 600 CO 0.41 0.00 0.07 0.00 0.00 0.00 0.00 176.54 177.02 3hkz n ALA 601 N -2.37 0.88 -0.99 3.60 0.00 -1.26 -4.93 120.51 115.44 3hkz n ALA 601 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3hkz n ALA 601 Cb 0.94 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.54 3hkz n ALA 601 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hkz n ILE 602 N -1.39 0.00 -1.03 0.00 5.41 -1.24 -4.21 119.36 116.91 3hkz n ILE 602 Ca 0.00 0.00 -0.34 0.00 1.00 0.00 0.00 62.75 63.41 3hkz n ILE 602 Cb 0.07 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.12 3hkz n ILE 602 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90 3hkz n THR 603 N -1.46 1.43 0.00 1.39 -2.24 -1.26 -4.74 114.28 107.39 3hkz n THR 603 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3hkz n THR 603 Cb 0.00 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 3hkz n THR 603 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 3hkz n PHE 604 N -3.32 0.00 -0.24 4.78 7.35 -1.26 0.11 117.46 124.88 3hkz n PHE 604 Ca 0.12 0.00 0.25 0.00 -0.76 0.00 0.00 57.45 57.05 3hkz n PHE 604 Cb 0.51 -0.49 0.38 0.00 0.35 0.00 0.00 39.48 40.23 3hkz n PHE 604 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 3hkz n ASP 605 N -3.89 0.00 -0.00 -2.13 8.00 -1.26 0.50 116.55 117.77 3hkz n ASP 605 Ca 0.00 0.59 0.08 0.00 0.71 0.00 0.00 54.79 56.17 3hkz n ASP 605 Cb 0.00 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 40.78 3hkz n ASP 605 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hkz n ASP 606 N -2.87 0.79 -0.21 -2.24 10.43 0.31 -4.06 116.55 118.71 3hkz n ASP 606 Ca 0.21 -0.79 -0.06 0.00 2.57 0.00 0.00 54.79 56.71 3hkz n ASP 606 Cb 1.21 1.07 0.09 0.00 1.84 0.00 0.00 41.12 45.33 3hkz n ASP 606 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3hkz h LEU 607 N 0.00 0.97 0.03 0.64 3.38 -0.04 -3.30 115.31 117.00 3hkz h LEU 607 Ca 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 3hkz h LEU 607 Cb 0.41 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hkz h LEU 607 CO 0.00 0.96 -0.02 0.58 0.09 0.00 0.00 178.44 180.05 3hkz h VAL 608 N 0.97 1.38 -1.00 1.22 2.07 -1.69 -2.81 116.25 116.39 3hkz h VAL 608 Ca 0.20 -1.49 0.23 0.00 0.82 0.00 0.00 66.70 66.46 3hkz h VAL 608 Cb 0.38 2.35 -0.10 0.00 -1.52 0.00 0.00 31.29 32.41 3hkz h VAL 608 CO 0.01 0.37 0.63 -0.09 0.02 0.00 0.00 177.57 178.50 3hkz h ARG 609 N -0.72 0.54 0.00 1.57 2.43 -1.73 0.33 114.38 116.80 3hkz h ARG 609 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3hkz h ARG 609 Cb 0.64 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3hkz h ARG 609 CO 0.01 0.36 0.00 0.37 -1.51 0.00 0.00 179.97 179.20 3hkz h GLN 610 N 0.56 0.00 0.00 0.20 4.15 -1.62 -3.35 115.11 115.06 3hkz h GLN 610 Ca 0.58 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.00 3hkz h GLN 610 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 3hkz h GLN 610 CO -0.35 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 176.96 3hkz n GLY 611 N -0.50 0.48 0.08 2.39 0.00 0.11 -4.77 105.19 102.98 3hkz n GLY 611 Ca -0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 46.02 45.23 3hkz n GLY 611 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkz h LYS 612 N 0.38 0.01 -6.69 1.61 1.57 -1.67 -3.46 116.57 108.32 3hkz h LYS 612 Ca 0.00 -0.01 -0.67 0.00 -1.87 0.00 0.00 60.65 58.10 3hkz h LYS 612 Cb 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.13 3hkz h LYS 612 CO 0.00 0.65 -0.81 0.42 -0.57 0.00 0.00 179.45 179.14 3hkz s ILE 613 N -2.63 2.61 -0.00 1.86 -1.09 -1.21 -1.14 121.20 119.60 3hkz s ILE 613 Ca -0.03 -1.75 -0.01 0.00 -2.23 0.00 0.00 60.65 56.63 3hkz s ILE 613 Cb 0.09 -2.22 -0.00 0.00 -1.58 0.00 0.00 42.46 38.74 3hkz s ILE 613 CO 0.82 -0.00 0.02 -0.70 -1.23 0.00 0.00 174.94 173.85 3hkz s GLU 614 N -2.39 0.12 -0.50 2.79 2.12 -0.90 -4.56 118.70 115.38 3hkz s GLU 614 Ca 0.19 -0.14 -0.18 0.00 0.36 0.00 0.00 54.97 55.20 3hkz s GLU 614 Cb -0.09 0.05 0.07 0.00 0.26 0.00 0.00 34.13 34.41 3hkz s GLU 614 CO 0.10 -0.02 0.55 0.71 -0.54 0.00 0.00 175.26 176.06 3hkz s TYR 615 N -0.42 3.12 -0.19 5.30 1.51 -1.26 -1.79 117.35 123.62 3hkz s TYR 615 Ca -0.05 -0.72 -0.17 0.00 -1.01 0.00 0.00 57.07 55.13 3hkz s TYR 615 Cb -0.03 -3.46 -0.04 0.00 -0.11 0.00 0.00 41.96 38.32 3hkz s TYR 615 CO -0.00 -0.97 0.43 -0.51 -1.11 0.00 0.00 175.55 173.38 3hkz s LEU 616 N 2.28 4.18 0.02 -1.29 1.43 0.61 -4.91 118.68 120.99 3hkz s LEU 616 Ca 0.11 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.62 3hkz s LEU 616 Cb -0.22 -2.58 -0.10 0.00 0.03 0.00 0.00 46.19 43.33 3hkz s LEU 616 CO 0.09 -0.08 1.05 -0.78 0.23 0.00 0.00 176.35 176.87 3hkz h ASP 617 N 7.24 -0.56 0.00 2.29 -0.00 -1.89 -1.73 116.42 121.77 3hkz h ASP 617 Ca -0.37 0.02 0.00 0.00 -0.00 0.00 0.00 57.03 56.68 3hkz h ASP 617 Cb 1.16 0.15 0.00 0.00 -0.00 0.00 0.00 39.33 40.64 3hkz h ASP 617 CO 0.73 -0.33 0.00 0.00 -0.00 0.00 0.00 179.24 179.64 3hkz n ALA 618 N -2.44 0.00 -0.07 -0.78 0.00 -1.26 -4.41 120.51 111.55 3hkz n ALA 618 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.43 3hkz n ALA 618 Cb 0.26 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.14 3hkz n ALA 618 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hkz h GLU 619 N 0.00 0.55 0.00 0.00 4.57 -1.88 0.40 114.58 118.23 3hkz h GLU 619 Ca 0.00 -0.03 -0.30 0.00 -1.18 0.00 0.00 59.36 57.85 3hkz h GLU 619 Cb 0.00 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 28.41 3hkz h GLU 619 CO 0.00 0.37 -1.79 -1.91 -1.18 0.00 0.00 179.01 174.50 3hkz n GLU 620 N -4.47 0.64 0.32 1.92 2.13 -1.26 -3.53 120.64 116.38 3hkz n GLU 620 Ca 0.07 0.25 0.20 0.00 0.66 0.00 0.00 57.16 58.34 3hkz n GLU 620 Cb 0.19 -1.76 1.11 0.00 0.27 0.00 0.00 31.44 31.25 3hkz n GLU 620 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3hkz h GLU 621 N 0.00 0.00 -0.49 5.31 4.81 -1.74 -2.06 114.58 120.41 3hkz h GLU 621 Ca -0.31 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.01 3hkz h GLU 621 Cb 2.02 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.33 3hkz h GLU 621 CO 0.07 0.00 0.02 1.49 -0.73 0.00 0.00 179.01 179.86 3hkz h GLU 622 N 0.00 0.14 0.00 1.92 4.57 -0.25 -2.87 114.58 118.09 3hkz h GLU 622 Ca 0.00 -0.01 -0.13 0.00 -1.18 0.00 0.00 59.36 58.04 3hkz h GLU 622 Cb 0.03 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 3hkz h GLU 622 CO -0.00 0.09 -0.86 -0.91 -1.18 0.00 0.00 179.01 176.15 3hkz h ASN 623 N 0.14 0.00 -4.13 1.04 2.35 -1.56 -3.47 115.58 109.96 3hkz h ASN 623 Ca 0.24 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 55.52 3hkz h ASN 623 Cb 0.36 0.00 0.14 0.00 0.05 0.00 0.00 38.32 38.86 3hkz h ASN 623 CO -0.38 0.54 0.27 0.00 -1.65 0.00 0.00 177.43 176.21 3hkz s ALA 624 N -2.95 1.68 0.07 -0.83 0.00 -1.08 -5.00 121.76 113.66 3hkz s ALA 624 Ca 0.01 -0.22 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3hkz s ALA 624 Cb 0.08 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 20.04 3hkz s ALA 624 CO 0.77 -2.24 -0.10 0.71 0.00 0.00 0.00 175.76 174.91 3hkz s TYR 625 N -3.05 0.93 0.03 0.00 1.51 -1.26 -4.98 117.35 110.53 3hkz s TYR 625 Ca 0.63 -0.58 0.01 0.00 -1.01 0.00 0.00 57.07 56.12 3hkz s TYR 625 Cb -0.17 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.14 3hkz s TYR 625 CO 0.56 -0.03 -0.06 0.14 -1.11 0.00 0.00 175.55 175.05 3hkz s VAL 626 N -1.91 0.35 -0.26 0.71 -7.23 -1.25 -2.00 120.40 108.81 3hkz s VAL 626 Ca -0.01 -1.00 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 3hkz s VAL 626 Cb -0.06 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.45 3hkz s VAL 626 CO 0.00 -0.44 -0.04 0.00 -0.31 0.00 0.00 175.10 174.32 3hkz s ALA 627 N -1.42 2.77 0.05 1.32 0.00 -1.20 -5.01 121.76 118.26 3hkz s ALA 627 Ca -0.13 -1.45 -0.10 0.00 0.00 0.00 0.00 51.96 50.28 3hkz s ALA 627 Cb -0.10 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.23 3hkz s ALA 627 CO -0.00 -0.82 0.78 1.47 0.00 0.00 0.00 175.76 177.18 3hkz n LEU 628 N 4.70 -0.34 -4.55 0.00 -0.00 -1.26 -3.72 117.00 111.84 3hkz n LEU 628 Ca -0.16 0.86 -0.25 0.00 -0.00 0.00 0.00 56.01 56.46 3hkz n LEU 628 Cb 0.47 -0.22 -0.10 0.00 -0.00 0.00 0.00 43.42 43.58 3hkz n LEU 628 CO 0.28 -0.61 -0.39 -1.61 -0.00 0.00 0.00 177.39 175.06 3hkz s GLU 629 N -4.21 1.87 0.54 1.47 0.41 -1.26 -4.65 118.70 112.88 3hkz s GLU 629 Ca -0.04 -1.80 0.28 0.00 -0.41 0.00 0.00 54.97 53.00 3hkz s GLU 629 Cb 0.04 -1.81 1.57 0.00 -1.78 0.00 0.00 34.13 32.15 3hkz s GLU 629 CO 0.20 0.22 2.13 -1.00 -0.49 0.00 0.00 175.26 176.31 3hkz h PRO 630 N 2.04 0.00 -0.59 0.39 0.13 -1.90 -3.25 132.00 128.83 3hkz h PRO 630 Ca -0.42 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.63 3hkz h PRO 630 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 3hkz h PRO 630 CO 0.66 0.08 0.03 -0.97 -0.23 0.00 0.00 178.00 177.56 3hkz h ASN 631 N 0.00 0.99 -0.99 1.44 -0.73 -1.95 -0.91 115.58 113.43 3hkz h ASN 631 Ca -0.00 -0.29 -0.58 0.00 1.87 0.00 0.00 56.30 57.29 3hkz h ASN 631 Cb 0.24 -0.27 -0.30 0.00 0.27 0.00 0.00 38.32 38.26 3hkz h ASN 631 CO 0.01 1.04 0.73 -0.90 -0.37 0.00 0.00 177.43 177.95 3hkz n ASP 632 N -4.24 5.42 -0.01 1.15 5.75 -1.23 -4.43 116.55 118.96 3hkz n ASP 632 Ca 0.03 -3.69 0.14 0.00 -0.01 0.00 0.00 54.79 51.26 3hkz n ASP 632 Cb 0.32 -0.89 0.69 0.00 -1.03 0.00 0.00 41.12 40.21 3hkz n ASP 632 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3hkz n LEU 633 N -1.05 0.04 -0.28 -2.12 7.94 -0.35 -4.64 117.00 116.55 3hkz n LEU 633 Ca 0.61 0.34 0.25 0.00 -1.11 0.00 0.00 56.01 56.09 3hkz n LEU 633 Cb 1.24 -0.35 0.46 0.00 0.53 0.00 0.00 43.42 45.30 3hkz n LEU 633 CO 0.68 0.01 0.87 0.41 -1.11 0.00 0.00 177.39 178.25 3hkz n THR 634 N -1.34 -0.36 -0.03 1.96 -1.04 -1.26 -4.66 114.28 107.55 3hkz n THR 634 Ca 0.12 1.75 0.00 0.00 -2.04 0.00 0.00 64.05 63.88 3hkz n THR 634 Cb 0.28 -2.80 0.00 0.00 -1.82 0.00 0.00 70.33 65.99 3hkz n THR 634 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3hkz n PRO 635 N -4.97 3.05 -2.81 -2.82 -0.02 -1.26 -4.65 135.00 121.52 3hkz n PRO 635 Ca 0.30 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 3hkz n PRO 635 Cb 1.03 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.52 3hkz n PRO 635 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3hkz n ASP 636 N 0.00 5.44 -4.73 2.55 5.75 -1.26 -3.16 116.55 121.14 3hkz n ASP 636 Ca 0.00 -3.11 -0.35 0.00 -0.01 0.00 0.00 54.79 51.31 3hkz n ASP 636 Cb 0.00 -1.46 -0.08 0.00 -1.03 0.00 0.00 41.12 38.56 3hkz n ASP 636 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3hkz s HIS 637 N -0.07 3.42 0.29 2.11 3.76 -1.26 -4.97 115.29 118.57 3hkz s HIS 637 Ca 0.38 0.41 0.04 0.00 -0.15 0.00 0.00 55.06 55.74 3hkz s HIS 637 Cb 0.02 -2.22 0.44 0.00 1.11 0.00 0.00 32.58 31.93 3hkz s HIS 637 CO 0.01 0.27 1.71 1.15 -0.85 0.00 0.00 174.74 177.03 3hkz h THR 638 N 4.69 1.28 -3.94 1.30 2.02 -1.68 -3.41 112.91 113.17 3hkz h THR 638 Ca -0.41 -1.37 -0.22 0.00 0.77 0.00 0.00 66.41 65.18 3hkz h THR 638 Cb 1.15 1.51 -0.22 0.00 -1.74 0.00 0.00 68.15 68.85 3hkz h THR 638 CO 0.76 0.42 -0.72 -1.00 0.37 0.00 0.00 175.52 175.35 3hkz s HIS 639 N -4.33 0.37 0.00 3.16 3.76 -0.85 -0.40 115.29 117.00 3hkz s HIS 639 Ca -0.06 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.43 3hkz s HIS 639 Cb 0.14 -0.24 0.00 0.00 1.11 0.00 0.00 32.58 33.59 3hkz s HIS 639 CO 0.78 -0.12 0.00 -0.11 -0.85 0.00 0.00 174.74 174.44 3hkz n LEU 640 N 1.84 0.00 -3.90 0.89 0.00 -0.89 -3.26 117.00 111.67 3hkz n LEU 640 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.57 3hkz n LEU 640 Cb 0.56 0.00 -0.17 0.00 0.00 0.00 0.00 43.42 43.81 3hkz n LEU 640 CO 0.21 -0.23 -0.42 -1.61 0.00 0.00 0.00 177.39 175.34 3hkz s GLU 641 N 0.71 1.11 0.04 1.96 0.41 -1.24 -3.79 118.70 117.90 3hkz s GLU 641 Ca 0.00 -0.16 -0.27 0.00 -0.41 0.00 0.00 54.97 54.12 3hkz s GLU 641 Cb 0.00 -1.13 -0.17 0.00 -1.78 0.00 0.00 34.13 31.05 3hkz s GLU 641 CO 0.00 -0.13 1.44 0.82 -0.49 0.00 0.00 175.26 176.89 3hkz h ILE 642 N 6.15 0.60 -2.08 -1.63 1.08 -1.92 -3.45 117.51 116.26 3hkz h ILE 642 Ca -0.31 -0.31 -0.07 0.00 -0.39 0.00 0.00 64.86 63.78 3hkz h ILE 642 Cb 1.15 0.75 -0.26 0.00 -3.07 0.00 0.00 36.82 35.39 3hkz h ILE 642 CO 0.42 0.06 -0.36 0.86 -0.69 0.00 0.00 178.15 178.44 3hkz s TRP 643 N -5.35 -0.97 0.22 1.37 -0.00 -1.26 -4.64 118.94 108.31 3hkz s TRP 643 Ca -0.15 1.44 -0.06 0.00 -0.00 0.00 0.00 56.10 57.33 3hkz s TRP 643 Cb 0.03 0.31 0.19 0.00 -0.00 0.00 0.00 33.47 34.01 3hkz s TRP 643 CO 0.58 -0.62 1.72 0.77 -0.00 0.00 0.00 176.95 179.40 3hkz h SER 644 N 8.13 0.96 0.00 5.86 0.02 -1.86 -2.48 113.55 124.18 3hkz h SER 644 Ca -0.18 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3hkz h SER 644 Cb 1.13 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.41 3hkz h SER 644 CO 0.18 0.97 0.00 -2.65 -1.14 0.00 0.00 176.83 174.19 3hkz n PRO 645 N -4.22 0.01 -1.09 3.45 -0.02 -1.26 -1.90 135.00 129.96 3hkz n PRO 645 Ca 0.04 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.41 3hkz n PRO 645 Cb 0.29 -1.12 0.28 0.00 -0.02 0.00 0.00 33.50 32.93 3hkz n PRO 645 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hkz n ALA 646 N -0.62 4.88 0.69 3.55 0.00 -0.94 -3.73 120.51 124.35 3hkz n ALA 646 Ca 0.00 -2.49 0.12 0.00 0.00 0.00 0.00 53.44 51.07 3hkz n ALA 646 Cb 0.00 -1.31 0.17 0.00 0.00 0.00 0.00 19.45 18.31 3hkz n ALA 646 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3hkz n ILE 647 N -0.39 0.22 -3.03 0.00 5.41 -0.80 -3.72 119.36 117.05 3hkz n ILE 647 Ca 0.46 -0.19 -0.38 0.00 1.00 0.00 0.00 62.75 63.65 3hkz n ILE 647 Cb 1.48 0.03 -0.06 0.00 -0.71 0.00 0.00 39.64 40.37 3hkz n ILE 647 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3hkz s LEU 648 N -3.83 4.45 1.30 1.39 1.43 -1.24 -3.67 118.68 118.50 3hkz s LEU 648 Ca 0.07 1.54 -0.21 0.00 -1.03 0.00 0.00 54.13 54.50 3hkz s LEU 648 Cb 0.15 -3.50 0.32 0.00 0.03 0.00 0.00 46.19 43.19 3hkz s LEU 648 CO 0.73 0.10 1.06 -0.83 0.23 0.00 0.00 176.35 177.63 3hkz s GLY 649 N -1.44 1.53 0.20 -3.19 0.00 -1.25 -2.01 107.32 101.16 3hkz s GLY 649 Ca 0.40 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.10 3hkz s GLY 649 CO 0.23 -0.04 1.54 0.16 0.00 0.00 0.00 173.10 174.99 3hkz h ILE 650 N -2.93 1.31 -0.01 0.90 -2.65 -1.93 -3.10 117.51 109.11 3hkz h ILE 650 Ca -0.43 -1.71 -0.00 0.00 1.03 0.00 0.00 64.86 63.75 3hkz h ILE 650 Cb 1.30 1.69 -0.00 0.00 -2.05 0.00 0.00 36.82 37.76 3hkz h ILE 650 CO 0.29 0.53 -0.01 0.74 0.03 0.00 0.00 178.15 179.73 3hkz h THR 651 N 0.44 1.38 -0.18 0.16 2.02 -1.95 -3.07 112.91 111.71 3hkz h THR 651 Ca 0.02 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.12 3hkz h THR 651 Cb 1.02 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.55 3hkz h THR 651 CO 0.09 0.30 0.28 0.00 0.37 0.00 0.00 175.52 176.56 3hkz h ALA 652 N 0.53 1.71 -0.23 6.16 0.00 -1.92 -2.48 119.26 123.03 3hkz h ALA 652 Ca 0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3hkz h ALA 652 Cb 0.49 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3hkz h ALA 652 CO 0.00 -0.38 -0.49 0.77 0.00 0.00 0.00 179.25 179.15 3hkz h SER 653 N 0.00 0.68 -0.92 0.00 0.02 -1.45 -3.11 113.55 108.77 3hkz h SER 653 Ca 0.09 -0.34 0.27 0.00 -0.84 0.00 0.00 61.79 60.96 3hkz h SER 653 Cb 0.65 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.96 3hkz h SER 653 CO -0.00 1.06 0.83 0.40 -1.14 0.00 0.00 176.83 177.97 3hkz h ILE 654 N 0.49 0.27 -3.13 3.27 5.03 -1.56 -3.42 117.51 118.46 3hkz h ILE 654 Ca 0.02 0.00 -0.58 0.00 -0.12 0.00 0.00 64.86 64.18 3hkz h ILE 654 Cb 1.04 0.37 -0.06 0.00 -3.03 0.00 0.00 36.82 35.14 3hkz h ILE 654 CO 0.10 0.00 0.72 -0.63 -0.68 0.00 0.00 178.15 177.66 3hkz s ILE 655 N -4.70 4.72 -0.05 -0.67 1.01 -1.18 -4.60 121.20 115.73 3hkz s ILE 655 Ca -0.04 1.94 -0.29 0.00 0.00 0.00 0.00 60.65 62.26 3hkz s ILE 655 Cb 0.18 -4.27 -0.02 0.00 0.01 0.00 0.00 42.46 38.36 3hkz s ILE 655 CO 0.64 -0.14 0.95 -2.16 0.00 0.00 0.00 174.94 174.23 3hkz s PRO 656 N 3.02 4.49 -1.30 2.79 0.04 -1.26 -4.00 135.00 138.77 3hkz s PRO 656 Ca 0.43 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.80 3hkz s PRO 656 Cb -0.15 -3.49 0.00 0.00 0.04 0.00 0.00 34.50 30.89 3hkz s PRO 656 CO 0.07 -0.15 0.00 0.66 0.04 0.00 0.00 177.00 177.63 3hkz n TYR 657 N 4.35 -0.35 -0.23 0.56 4.02 -1.26 -4.89 117.16 119.37 3hkz n TYR 657 Ca 0.06 0.00 0.18 0.00 -0.01 0.00 0.00 57.90 58.13 3hkz n TYR 657 Cb 0.50 -2.72 0.50 0.00 -0.02 0.00 0.00 39.34 37.60 3hkz n TYR 657 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3hkz h PRO 658 N 0.00 0.42 -3.10 -0.72 0.13 -1.95 -0.97 132.00 125.81 3hkz h PRO 658 Ca -0.30 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3hkz h PRO 658 Cb 1.08 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.11 3hkz h PRO 658 CO 0.40 0.28 0.44 -0.85 -0.23 0.00 0.00 178.00 178.03 3hkz n GLU 659 N -4.51 0.00 0.00 0.86 -0.00 -1.26 0.60 120.64 116.33 3hkz n GLU 659 Ca 0.18 -0.04 0.00 0.00 -0.00 0.00 0.00 57.16 57.30 3hkz n GLU 659 Cb 0.65 -1.35 0.00 0.00 -0.00 0.00 0.00 31.44 30.74 3hkz n GLU 659 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 3hkz n HIS 660 N 2.87 0.00 -4.37 -1.84 8.25 -0.37 -5.12 115.22 114.64 3hkz n HIS 660 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 3hkz n HIS 660 Cb 0.00 0.01 -0.13 0.00 1.12 0.00 0.00 29.99 31.00 3hkz n HIS 660 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3hkz s ASN 661 N 0.00 2.97 -0.05 0.41 0.02 0.20 -2.15 114.94 116.34 3hkz s ASN 661 Ca 0.00 -0.71 -0.34 0.00 -1.02 0.00 0.00 52.86 50.79 3hkz s ASN 661 Cb 0.00 -0.19 -0.12 0.00 0.02 0.00 0.00 41.25 40.96 3hkz s ASN 661 CO 0.00 0.13 1.86 1.67 0.02 0.00 0.00 177.10 180.79 3hkz n GLN 662 N 1.04 2.26 0.00 -0.60 7.27 0.03 -4.90 117.38 122.47 3hkz n GLN 662 Ca -0.19 0.83 0.00 0.00 0.07 0.00 0.00 57.00 57.71 3hkz n GLN 662 Cb 0.53 -2.68 0.00 0.00 2.41 0.00 0.00 30.24 30.50 3hkz n GLN 662 CO 0.00 0.00 0.00 0.45 0.07 0.00 0.00 177.06 177.58 3hkz n SER 663 N 6.42 0.00 0.29 1.69 2.88 -1.26 -0.74 113.62 122.91 3hkz n SER 663 Ca 0.22 0.00 0.15 0.00 -1.33 0.00 0.00 58.87 57.91 3hkz n SER 663 Cb 0.31 0.00 0.89 0.00 -0.75 0.00 0.00 64.21 64.66 3hkz n SER 663 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3hkz h PRO 664 N 0.00 0.00 -0.26 -1.46 0.11 -1.98 0.07 132.00 128.47 3hkz h PRO 664 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 3hkz h PRO 664 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3hkz h PRO 664 CO 0.00 0.03 -0.03 0.00 -0.21 0.00 0.00 178.00 177.79 3hkz h ARG 665 N 0.00 0.41 -0.01 1.05 2.47 -1.24 0.28 114.38 117.33 3hkz h ARG 665 Ca -0.00 -0.08 -0.00 0.00 -1.26 0.00 0.00 59.98 58.63 3hkz h ARG 665 Cb 0.09 -0.06 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3hkz h ARG 665 CO 0.00 0.46 -0.00 -0.91 0.56 0.00 0.00 179.97 180.08 3hkz h ASN 666 N 0.39 0.02 -0.55 7.04 2.35 -1.07 -2.06 115.58 121.70 3hkz h ASN 666 Ca 0.08 -0.37 0.08 0.00 -0.55 0.00 0.00 56.30 55.55 3hkz h ASN 666 Cb 0.32 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.58 3hkz h ASN 666 CO 0.01 0.39 -0.43 0.74 -1.65 0.00 0.00 177.43 176.49 3hkz h THR 667 N -0.35 0.09 -0.25 2.81 2.02 -1.27 0.16 112.91 116.12 3hkz h THR 667 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 3hkz h THR 667 Cb 0.38 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.82 3hkz h THR 667 CO 0.00 0.00 -0.21 1.88 0.37 0.00 0.00 175.52 177.56 3hkz h TYR 668 N -0.24 -0.54 -0.59 3.16 -1.99 -0.50 -2.09 116.97 114.18 3hkz h TYR 668 Ca 0.17 0.04 0.07 0.00 2.00 0.00 0.00 58.73 61.01 3hkz h TYR 668 Cb 0.57 0.28 -0.06 0.00 2.00 0.00 0.00 36.73 39.51 3hkz h TYR 668 CO -0.69 -0.28 0.27 0.37 -0.00 0.00 0.00 178.16 177.82 3hkz h GLN 669 N -0.20 0.48 0.00 4.88 5.75 -0.78 0.30 115.11 125.53 3hkz h GLN 669 Ca 0.14 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 3hkz h GLN 669 Cb 0.42 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.86 3hkz h GLN 669 CO -0.37 0.32 0.00 0.43 -2.65 0.00 0.00 178.83 176.55 3hkz n SER 670 N -4.92 0.00 -0.04 -0.69 7.64 0.52 -0.28 113.62 115.85 3hkz n SER 670 Ca 0.07 -0.17 -0.10 0.00 1.01 0.00 0.00 58.87 59.69 3hkz n SER 670 Cb 0.21 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.38 3hkz n SER 670 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hkz n ALA 671 N -0.70 2.18 0.19 -0.43 0.00 0.89 -4.70 120.51 117.94 3hkz n ALA 671 Ca 0.01 -0.43 0.04 0.00 0.00 0.00 0.00 53.44 53.06 3hkz n ALA 671 Cb 0.00 0.28 0.47 0.00 0.00 0.00 0.00 19.45 20.20 3hkz n ALA 671 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3hkz h MET 672 N -0.43 0.08 -0.91 0.00 2.07 -0.05 -1.51 114.93 114.18 3hkz h MET 672 Ca -0.19 -0.02 0.06 0.00 -2.07 0.00 0.00 59.70 57.48 3hkz h MET 672 Cb 0.97 -0.01 -0.06 0.00 -1.87 0.00 0.00 31.60 30.62 3hkz h MET 672 CO -0.12 0.24 0.58 0.00 1.07 0.00 0.00 176.91 178.68 3hkz h ALA 673 N 1.77 1.26 0.00 6.32 0.00 -0.91 0.23 119.26 127.92 3hkz h ALA 673 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hkz h ALA 673 Cb 0.33 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hkz h ALA 673 CO 0.02 0.35 0.00 1.63 0.00 0.00 0.00 179.25 181.25 3hkz n LYS 674 N -4.57 0.42 -0.01 0.00 5.02 -0.59 -2.33 118.16 116.10 3hkz n LYS 674 Ca 0.13 0.06 0.02 0.00 -2.02 0.00 0.00 58.31 56.51 3hkz n LYS 674 Cb 0.17 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.71 3hkz n LYS 674 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hkz n GLN 675 N -1.18 0.00 -1.63 1.97 6.02 0.56 -4.81 117.38 118.31 3hkz n GLN 675 Ca 0.12 -0.87 -0.31 0.00 -0.01 0.00 0.00 57.00 55.93 3hkz n GLN 675 Cb 0.12 -1.08 0.04 0.00 1.02 0.00 0.00 30.24 30.35 3hkz n GLN 675 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hkz s ALA 676 N -0.42 2.75 -0.13 -1.58 0.00 0.16 -2.29 121.76 120.25 3hkz s ALA 676 Ca 0.05 0.03 0.02 0.00 0.00 0.00 0.00 51.96 52.06 3hkz s ALA 676 Cb 0.04 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3hkz s ALA 676 CO 0.05 -1.14 -0.21 -0.51 0.00 0.00 0.00 175.76 173.96 3hkz s LEU 677 N -5.48 2.23 0.00 0.00 1.43 -0.30 -4.34 118.68 112.22 3hkz s LEU 677 Ca 0.58 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3hkz s LEU 677 Cb -0.13 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3hkz s LEU 677 CO 0.55 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.85 3hkz n GLY 678 N 3.84 4.46 3.89 -3.19 0.00 -1.26 -4.30 105.19 108.63 3hkz n GLY 678 Ca -0.19 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.04 3hkz n GLY 678 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkz s LEU 679 N 0.00 4.36 -0.01 0.99 2.96 -1.22 -0.91 118.68 124.85 3hkz s LEU 679 Ca 0.00 0.39 0.04 0.00 -0.22 0.00 0.00 54.13 54.34 3hkz s LEU 679 Cb 0.00 -2.40 -0.06 0.00 0.50 0.00 0.00 46.19 44.22 3hkz s LEU 679 CO 0.00 0.32 0.08 0.00 -1.32 0.00 0.00 176.35 175.42 3hkz n TYR 680 N 1.34 0.00 -3.64 5.38 0.18 -1.26 -3.32 117.16 115.84 3hkz n TYR 680 Ca -0.14 0.00 -0.04 0.00 1.88 0.00 0.00 57.90 59.60 3hkz n TYR 680 Cb 0.53 -0.13 -0.07 0.00 -0.38 0.00 0.00 39.34 39.30 3hkz n TYR 680 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3hkz s ALA 681 N -2.26 -2.22 -0.93 -3.48 0.00 -1.26 -4.30 121.76 107.31 3hkz s ALA 681 Ca -0.02 2.05 0.00 0.00 0.00 0.00 0.00 51.96 53.99 3hkz s ALA 681 Cb 0.02 -1.66 0.00 0.00 0.00 0.00 0.00 23.12 21.48 3hkz s ALA 681 CO 0.18 -0.29 0.79 0.00 0.00 0.00 0.00 175.76 176.43 3hkz n ALA 682 N 3.05 0.85 -0.06 0.00 0.00 -1.26 -0.57 120.51 122.52 3hkz n ALA 682 Ca -0.16 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.30 3hkz n ALA 682 Cb 0.57 -0.78 0.05 0.00 0.00 0.00 0.00 19.45 19.30 3hkz n ALA 682 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hkz n ASN 683 N -1.29 2.32 0.00 0.00 6.94 -1.26 -4.75 115.26 117.22 3hkz n ASN 683 Ca 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 54.58 52.56 3hkz n ASN 683 Cb 0.09 -0.08 0.00 0.00 -2.36 0.00 0.00 39.78 37.43 3hkz n ASN 683 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hkz n TYR 684 N -0.16 0.00 0.07 -2.53 0.18 0.26 -1.95 117.16 113.04 3hkz n TYR 684 Ca 0.04 0.00 -0.03 0.00 1.88 0.00 0.00 57.90 59.79 3hkz n TYR 684 Cb 0.31 -0.09 -0.02 0.00 -0.38 0.00 0.00 39.34 39.16 3hkz n TYR 684 CO 0.00 0.00 0.00 0.37 -2.08 0.00 0.00 176.86 175.15 3hkz h GLN 685 N 0.00 -0.22 -0.03 -3.48 5.75 -1.85 -3.26 115.11 112.02 3hkz h GLN 685 Ca 0.00 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3hkz h GLN 685 Cb 0.25 0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.85 3hkz h GLN 685 CO 0.00 -0.14 0.00 1.28 -2.65 0.00 0.00 178.83 177.32 3hkz n LEU 686 N -3.58 0.26 -4.77 -2.39 4.32 -0.82 -4.82 117.00 105.19 3hkz n LEU 686 Ca -0.03 -0.12 -0.38 0.00 -0.02 0.00 0.00 56.01 55.47 3hkz n LEU 686 Cb 0.09 -0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 41.82 3hkz n LEU 686 CO 0.07 0.06 0.74 -0.13 -1.22 0.00 0.00 177.39 176.91 3hkz s ARG 687 N -1.96 4.35 -0.52 3.23 1.81 -1.12 -4.97 118.95 119.77 3hkz s ARG 687 Ca 0.21 1.59 0.07 0.00 -1.72 0.00 0.00 55.73 55.88 3hkz s ARG 687 Cb 0.10 -2.78 0.24 0.00 -0.45 0.00 0.00 34.95 32.07 3hkz s ARG 687 CO 0.16 0.01 0.62 -2.37 -0.68 0.00 0.00 175.30 173.04 3hkz n THR 688 N 0.40 0.83 -3.80 0.02 5.66 -1.26 -4.99 114.28 111.14 3hkz n THR 688 Ca 0.03 -4.60 -0.23 0.00 -3.05 0.00 0.00 64.05 56.20 3hkz n THR 688 Cb 0.48 -2.02 -0.04 0.00 -1.55 0.00 0.00 70.33 67.19 3hkz n THR 688 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 3hkz s ASP 689 N -1.77 4.78 0.45 1.09 -0.00 -1.26 -4.94 116.67 115.02 3hkz s ASP 689 Ca 0.37 -0.92 -0.03 0.00 -0.00 0.00 0.00 52.55 51.97 3hkz s ASP 689 Cb 0.15 -0.42 -0.03 0.00 -0.00 0.00 0.00 42.92 42.62 3hkz s ASP 689 CO -0.07 -0.67 0.71 -0.89 -0.00 0.00 0.00 175.17 174.25 3hkz s THR 690 N -2.55 4.68 -0.09 -1.27 2.01 -1.26 -4.57 115.64 112.60 3hkz s THR 690 Ca 0.44 -0.14 -0.08 0.00 0.31 0.00 0.00 61.69 62.22 3hkz s THR 690 Cb -0.01 -3.76 0.01 0.00 0.01 0.00 0.00 72.50 68.76 3hkz s THR 690 CO 0.25 -0.64 0.13 0.54 -0.69 0.00 0.00 174.62 174.22 3hkz n ARG 691 N -2.12 -0.44 -4.28 4.92 1.74 -0.41 -4.94 116.66 111.12 3hkz n ARG 691 Ca -0.01 0.48 -0.16 0.00 -0.77 0.00 0.00 57.85 57.40 3hkz n ARG 691 Cb 0.56 -0.64 -0.10 0.00 -1.02 0.00 0.00 32.46 31.26 3hkz n ARG 691 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkz s ALA 692 N -0.55 1.59 0.03 7.54 0.00 -0.63 -4.88 121.76 124.87 3hkz s ALA 692 Ca 0.08 -1.79 0.02 0.00 0.00 0.00 0.00 51.96 50.26 3hkz s ALA 692 Cb -0.01 1.22 -0.02 0.00 0.00 0.00 0.00 23.12 24.31 3hkz s ALA 692 CO 0.17 -0.53 -0.06 -1.01 0.00 0.00 0.00 175.76 174.33 3hkz s HIS 693 N -3.85 0.54 -0.06 0.00 3.76 -1.26 -1.55 115.29 112.88 3hkz s HIS 693 Ca 0.38 -0.44 -0.00 0.00 -0.15 0.00 0.00 55.06 54.85 3hkz s HIS 693 Cb 0.07 -0.33 0.02 0.00 1.11 0.00 0.00 32.58 33.45 3hkz s HIS 693 CO 0.15 -0.09 -0.02 -1.17 -0.85 0.00 0.00 174.74 172.75 3hkz s LEU 694 N -1.33 0.99 -0.06 0.89 1.98 -0.99 -4.54 118.68 115.62 3hkz s LEU 694 Ca -0.09 -0.11 -0.30 0.00 -2.89 0.00 0.00 54.13 50.74 3hkz s LEU 694 Cb -0.09 -0.44 -0.02 0.00 0.66 0.00 0.00 46.19 46.30 3hkz s LEU 694 CO 0.00 -0.12 1.07 -0.22 -1.89 0.00 0.00 176.35 175.18 3hkz s LEU 695 N 1.42 4.29 0.13 -0.68 2.96 -0.09 -1.24 118.68 125.46 3hkz s LEU 695 Ca -0.03 1.67 -0.19 0.00 -0.22 0.00 0.00 54.13 55.36 3hkz s LEU 695 Cb -0.13 -3.56 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 3hkz s LEU 695 CO -0.03 -0.45 1.76 0.45 -1.32 0.00 0.00 176.35 176.76 3hkz h HIS 696 N 7.11 0.34 -3.36 5.38 3.86 -1.17 -3.39 115.15 123.91 3hkz h HIS 696 Ca -0.35 0.00 -0.57 0.00 -1.16 0.00 0.00 60.37 58.29 3hkz h HIS 696 Cb 1.17 -0.11 -0.39 0.00 1.06 0.00 0.00 27.41 29.13 3hkz h HIS 696 CO 0.71 0.24 -0.77 0.71 0.86 0.00 0.00 177.93 179.69 3hkz s TYR 697 N -6.04 1.78 0.82 2.45 2.02 -1.26 -5.09 117.35 112.02 3hkz s TYR 697 Ca -0.13 -1.51 -0.12 0.00 -0.37 0.00 0.00 57.07 54.94 3hkz s TYR 697 Cb 0.09 -1.50 0.09 0.00 -0.40 0.00 0.00 41.96 40.23 3hkz s TYR 697 CO 0.70 -0.76 1.16 -2.14 -1.57 0.00 0.00 175.55 172.95 3hkz s PRO 698 N 1.60 1.85 -0.12 -1.71 0.02 -1.26 -4.70 135.00 130.68 3hkz s PRO 698 Ca 0.02 0.19 -0.05 0.00 0.02 0.00 0.00 61.00 61.17 3hkz s PRO 698 Cb -0.18 -1.93 0.05 0.00 0.02 0.00 0.00 34.50 32.46 3hkz s PRO 698 CO -0.13 -1.69 0.26 -0.65 -0.33 0.00 0.00 177.00 174.46 3hkz s GLN 699 N -5.49 0.20 0.01 5.54 -0.21 -1.22 -4.96 119.66 113.54 3hkz s GLN 699 Ca 0.62 0.61 -0.36 0.00 0.02 0.00 0.00 55.36 56.25 3hkz s GLN 699 Cb -0.12 -0.09 -0.15 0.00 1.00 0.00 0.00 33.01 33.65 3hkz s GLN 699 CO 0.50 -0.20 1.56 -2.13 -2.12 0.00 0.00 175.29 172.90 3hkz n ARG 700 N 4.58 1.58 -2.04 2.91 0.63 -1.26 -4.66 116.66 118.39 3hkz n ARG 700 Ca -0.19 0.57 -0.37 0.00 -0.92 0.00 0.00 57.85 56.94 3hkz n ARG 700 Cb 0.52 -2.29 -0.03 0.00 0.45 0.00 0.00 32.46 31.11 3hkz n ARG 700 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3hkz s PRO 701 N 1.69 2.61 0.29 -0.14 0.02 -1.26 -4.82 135.00 133.40 3hkz s PRO 701 Ca 0.87 0.50 -0.30 0.00 0.02 0.00 0.00 61.00 62.09 3hkz s PRO 701 Cb -0.86 -4.47 -0.11 0.00 0.02 0.00 0.00 34.50 29.08 3hkz s PRO 701 CO 0.49 -2.81 1.52 -0.51 -0.33 0.00 0.00 177.00 175.35 3hkz s LEU 702 N 9.21 4.36 -0.16 -5.54 1.43 -1.26 -3.85 118.68 122.87 3hkz s LEU 702 Ca 0.68 2.87 -0.04 0.00 -1.03 0.00 0.00 54.13 56.60 3hkz s LEU 702 Cb -0.12 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3hkz s LEU 702 CO 0.18 -0.82 0.08 0.52 0.23 0.00 0.00 176.35 176.54 3hkz n VAL 703 N 1.88 -8.96 -4.49 -1.59 0.31 -1.23 -4.70 118.33 99.55 3hkz n VAL 703 Ca 0.06 1.51 -0.25 0.00 -0.01 0.00 0.00 64.34 65.65 3hkz n VAL 703 Cb 0.39 -5.68 -0.08 0.00 -0.91 0.00 0.00 33.84 27.56 3hkz n VAL 703 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkz s GLN 704 N -0.91 1.90 0.34 5.55 -2.07 -1.09 -4.88 119.66 118.48 3hkz s GLN 704 Ca -0.10 -2.15 0.02 0.00 -1.82 0.00 0.00 55.36 51.32 3hkz s GLN 704 Cb 0.01 -0.52 0.06 0.00 -1.09 0.00 0.00 33.01 31.47 3hkz s GLN 704 CO 0.51 -0.49 0.46 2.41 -1.32 0.00 0.00 175.29 176.87 3hkz n THR 705 N -0.87 0.00 -0.05 3.63 -1.04 -1.25 0.56 114.28 115.26 3hkz n THR 705 Ca -0.04 -0.88 -0.05 0.00 -2.04 0.00 0.00 64.05 61.03 3hkz n THR 705 Cb 0.65 -0.96 -0.14 0.00 -1.82 0.00 0.00 70.33 68.05 3hkz n THR 705 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 3hkz n ARG 706 N -1.81 0.66 0.24 -2.82 0.63 -1.26 -4.06 116.66 108.24 3hkz n ARG 706 Ca 0.08 0.05 0.11 0.00 -0.92 0.00 0.00 57.85 57.17 3hkz n ARG 706 Cb 0.30 -1.61 0.59 0.00 0.45 0.00 0.00 32.46 32.19 3hkz n ARG 706 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hkz h ALA 707 N 1.23 1.16 0.00 5.13 0.00 -1.96 -3.08 119.26 121.74 3hkz h ALA 707 Ca -0.36 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3hkz h ALA 707 Cb 1.90 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.66 3hkz h ALA 707 CO 0.04 0.23 0.00 -0.11 0.00 0.00 0.00 179.25 179.41 3hkz n LEU 708 N -3.54 0.02 0.04 0.00 -0.00 -1.26 -1.53 117.00 110.74 3hkz n LEU 708 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 3hkz n LEU 708 Cb 0.33 -0.01 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 3hkz n LEU 708 CO 0.32 0.01 -0.16 -0.67 -0.00 0.00 0.00 177.39 176.89 3hkz n ASP 709 N 0.07 0.45 -0.01 1.96 2.03 -1.16 -2.95 116.55 116.94 3hkz n ASP 709 Ca 0.00 0.13 0.08 0.00 0.52 0.00 0.00 54.79 55.52 3hkz n ASP 709 Cb 0.01 -0.08 0.47 0.00 -0.72 0.00 0.00 41.12 40.79 3hkz n ASP 709 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 3hkz n ILE 710 N -3.23 0.01 0.07 5.18 -0.00 -1.16 -1.76 119.36 118.46 3hkz n ILE 710 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 62.75 62.73 3hkz n ILE 710 Cb 0.16 -0.24 -0.06 0.00 -0.00 0.00 0.00 39.64 39.51 3hkz n ILE 710 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 3hkz h ILE 711 N 0.05 0.82 0.00 7.28 2.04 -1.57 -3.44 117.51 122.69 3hkz h ILE 711 Ca 0.00 -2.33 0.00 0.00 1.00 0.00 0.00 64.86 63.53 3hkz h ILE 711 Cb 0.01 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 3hkz h ILE 711 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 178.15 179.23 3hkz n GLY 712 N 1.34 0.63 0.32 5.37 0.00 -0.72 -4.97 105.19 107.16 3hkz n GLY 712 Ca -0.05 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.94 3hkz n GLY 712 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hkz h TYR 713 N 0.00 -0.75 -0.19 1.61 3.20 -1.79 -0.15 116.97 118.90 3hkz h TYR 713 Ca 0.00 0.07 0.06 0.00 3.14 0.00 0.00 58.73 62.00 3hkz h TYR 713 Cb 0.00 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3hkz h TYR 713 CO 0.00 -0.36 0.21 1.79 -1.64 0.00 0.00 178.16 178.16 3hkz h THR 714 N -0.10 0.47 0.04 1.81 1.35 -1.83 0.34 112.91 115.00 3hkz h THR 714 Ca 0.28 0.00 -0.24 0.00 -0.55 0.00 0.00 66.41 65.90 3hkz h THR 714 Cb 0.55 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.78 3hkz h THR 714 CO -0.72 0.00 -1.14 -1.13 -0.25 0.00 0.00 175.52 172.27 3hkz h ASN 715 N 0.00 0.15 -2.30 5.36 -0.00 -1.36 -3.43 115.58 114.00 3hkz h ASN 715 Ca 0.09 -0.17 -0.50 0.00 -0.00 0.00 0.00 56.30 55.73 3hkz h ASN 715 Cb 0.52 -0.05 -0.36 0.00 -0.00 0.00 0.00 38.32 38.43 3hkz h ASN 715 CO -0.00 1.13 -0.80 -0.13 -0.00 0.00 0.00 177.43 177.63 3hkz s ARG 716 N -2.68 0.63 0.00 6.67 0.52 0.11 -5.10 118.95 119.10 3hkz s ARG 716 Ca -0.01 -1.26 0.00 0.00 -0.52 0.00 0.00 55.73 53.93 3hkz s ARG 716 Cb 0.09 -1.09 0.00 0.00 0.52 0.00 0.00 34.95 34.47 3hkz s ARG 716 CO 0.84 -1.23 0.00 -0.35 0.02 0.00 0.00 175.30 174.58 3hkz n PRO 717 N 3.93 0.56 -0.40 3.54 -0.04 -0.65 -4.63 135.00 137.32 3hkz n PRO 717 Ca 0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 3hkz n PRO 717 Cb 0.41 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.87 3hkz n PRO 717 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hkz n ALA 718 N -3.00 1.79 -3.55 0.55 0.00 -1.26 -3.43 120.51 111.61 3hkz n ALA 718 Ca 0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.79 3hkz n ALA 718 Cb 0.00 -0.23 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 3hkz n ALA 718 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hkz s GLY 719 N -0.46 -0.40 0.47 0.00 0.00 -1.26 -3.66 107.32 102.02 3hkz s GLY 719 Ca 0.00 1.68 -0.03 0.00 0.00 0.00 0.00 44.72 46.38 3hkz s GLY 719 CO 0.00 0.95 0.74 -1.31 0.00 0.00 0.00 173.10 173.48 3hkz s ASN 720 N -1.25 6.02 -1.17 1.64 0.02 -1.03 -3.39 114.94 115.77 3hkz s ASN 720 Ca -0.05 0.63 -0.11 0.00 -1.02 0.00 0.00 52.86 52.31 3hkz s ASN 720 Cb -0.00 -1.91 0.22 0.00 0.02 0.00 0.00 41.25 39.58 3hkz s ASN 720 CO 0.04 -0.66 1.34 0.59 0.02 0.00 0.00 177.10 178.43 3hkz n ASN 721 N -2.20 5.41 -4.77 -1.22 3.02 -1.26 -1.27 115.26 112.98 3hkz n ASN 721 Ca 0.01 -3.04 -0.38 0.00 -0.03 0.00 0.00 54.58 51.14 3hkz n ASN 721 Cb 0.56 -1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.26 3hkz n ASN 721 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkz s ALA 722 N 0.07 3.09 -0.93 5.41 0.00 0.10 -4.71 121.76 124.80 3hkz s ALA 722 Ca 0.37 1.05 -0.24 0.00 0.00 0.00 0.00 51.96 53.14 3hkz s ALA 722 Cb -0.04 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3hkz s ALA 722 CO -0.02 -0.71 1.79 0.42 0.00 0.00 0.00 175.76 177.24 3hkz s ILE 723 N -1.41 3.59 -0.03 0.00 -1.09 -1.26 -1.29 121.20 119.71 3hkz s ILE 723 Ca 0.60 -0.47 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 3hkz s ILE 723 Cb -0.33 -4.33 -0.05 0.00 -1.58 0.00 0.00 42.46 36.18 3hkz s ILE 723 CO 0.40 -1.25 0.62 -0.22 -1.23 0.00 0.00 174.94 173.27 3hkz s LEU 724 N 8.50 4.38 -0.21 2.97 2.96 0.06 -0.28 118.68 137.05 3hkz s LEU 724 Ca 0.63 1.16 0.01 0.00 -0.22 0.00 0.00 54.13 55.70 3hkz s LEU 724 Cb -0.05 -2.97 0.04 0.00 0.50 0.00 0.00 46.19 43.72 3hkz s LEU 724 CO -0.03 0.03 -0.11 0.00 -1.32 0.00 0.00 176.35 174.92 3hkz s ALA 725 N 0.16 2.16 -0.84 5.97 0.00 0.32 -1.18 121.76 128.35 3hkz s ALA 725 Ca 0.33 -1.33 -0.21 0.00 0.00 0.00 0.00 51.96 50.74 3hkz s ALA 725 Cb -0.18 -1.34 0.09 0.00 0.00 0.00 0.00 23.12 21.69 3hkz s ALA 725 CO 0.17 -0.86 1.13 0.08 0.00 0.00 0.00 175.76 176.28 3hkz s VAL 726 N 1.32 4.39 0.06 0.00 1.01 -0.68 -2.96 120.40 123.54 3hkz s VAL 726 Ca -0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.95 3hkz s VAL 726 Cb -0.17 -4.80 0.01 0.00 0.00 0.00 0.00 36.38 31.42 3hkz s VAL 726 CO -0.08 -1.59 0.22 0.00 0.00 0.00 0.00 175.10 173.66 3hkz s MET 727 N 3.73 0.78 0.11 2.72 0.23 -1.14 -3.91 119.30 121.83 3hkz s MET 727 Ca 0.31 -0.72 -0.21 0.00 -1.03 0.00 0.00 55.69 54.04 3hkz s MET 727 Cb -0.08 0.33 -0.07 0.00 -1.53 0.00 0.00 34.83 33.47 3hkz s MET 727 CO -0.01 -0.24 0.64 -1.54 -2.03 0.00 0.00 175.02 171.83 3hkz s SER 728 N -2.38 7.15 -0.29 -1.18 1.04 -1.26 -4.32 113.70 112.46 3hkz s SER 728 Ca -0.01 1.38 -0.25 0.00 0.48 0.00 0.00 55.95 57.55 3hkz s SER 728 Cb 0.01 -2.40 0.15 0.00 0.10 0.00 0.00 66.02 63.88 3hkz s SER 728 CO -0.07 0.23 1.19 0.12 0.98 0.00 0.00 173.24 175.69 3hkz s PHE 729 N -1.17 -0.32 0.00 5.02 5.36 -1.26 -4.96 117.98 120.66 3hkz s PHE 729 Ca 0.32 0.77 0.00 0.00 -0.96 0.00 0.00 56.93 57.06 3hkz s PHE 729 Cb -0.20 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 42.89 3hkz s PHE 729 CO 0.21 -0.15 0.00 0.25 -1.46 0.00 0.00 175.22 174.07 3hkz n THR 730 N 1.96 0.00 -1.07 0.12 -2.24 -1.26 -3.48 114.28 108.31 3hkz n THR 730 Ca -0.12 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 3hkz n THR 730 Cb 0.56 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.78 3hkz n THR 730 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkz n GLY 731 N -0.78 0.45 0.00 3.38 0.00 -1.26 -4.89 105.19 102.09 3hkz n GLY 731 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 46.02 46.05 3hkz n GLY 731 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 732 N -2.48 0.00 -0.30 1.61 4.02 -1.23 -3.57 117.16 115.21 3hkz n TYR 732 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 57.90 57.94 3hkz n TYR 732 Cb 0.30 -0.34 0.21 0.00 -0.02 0.00 0.00 39.34 39.49 3hkz n TYR 732 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3hkz n ASN 733 N -1.49 3.33 -4.75 7.72 6.94 -1.26 -4.27 115.26 121.47 3hkz n ASN 733 Ca 0.06 -2.10 -0.36 0.00 -0.02 0.00 0.00 54.58 52.16 3hkz n ASN 733 Cb 0.34 -0.33 0.04 0.00 -2.36 0.00 0.00 39.78 37.46 3hkz n ASN 733 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3hkz s MET 734 N -1.18 2.96 -0.25 -3.83 -1.94 -1.23 -3.23 119.30 110.59 3hkz s MET 734 Ca 0.32 1.88 -0.03 0.00 -1.71 0.00 0.00 55.69 56.16 3hkz s MET 734 Cb 0.18 -1.96 0.01 0.00 2.01 0.00 0.00 34.83 35.07 3hkz s MET 734 CO 0.20 -1.23 0.05 0.39 -0.01 0.00 0.00 175.02 174.41 3hkz n GLU 735 N -1.55 -3.36 -0.52 2.03 -0.58 -1.26 -4.26 120.64 111.14 3hkz n GLU 735 Ca 0.14 2.69 0.00 0.00 -0.42 0.00 0.00 57.16 59.56 3hkz n GLU 735 Cb 0.49 -4.85 0.00 0.00 -0.57 0.00 0.00 31.44 26.51 3hkz n GLU 735 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3hkz n ASP 736 N 0.83 0.00 -3.58 1.62 9.92 -1.26 -4.86 116.55 119.22 3hkz n ASP 736 Ca -0.09 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.09 3hkz n ASP 736 Cb 0.14 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.60 3hkz n ASP 736 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3hkz s SER 737 N 0.00 -0.07 -0.01 -2.24 0.15 -1.20 -4.29 113.70 106.04 3hkz s SER 737 Ca 0.00 -0.88 -0.01 0.00 0.70 0.00 0.00 55.95 55.76 3hkz s SER 737 Cb 0.00 0.73 0.01 0.00 -1.71 0.00 0.00 66.02 65.05 3hkz s SER 737 CO 0.00 -1.40 0.03 -0.51 1.20 0.00 0.00 173.24 172.55 3hkz s ILE 738 N -3.42 -0.01 -0.31 6.45 1.10 -1.15 -4.35 121.20 119.51 3hkz s ILE 738 Ca 0.16 0.04 0.03 0.00 -0.51 0.00 0.00 60.65 60.36 3hkz s ILE 738 Cb -0.04 -0.05 0.08 0.00 0.15 0.00 0.00 42.46 42.59 3hkz s ILE 738 CO 0.10 0.02 -0.01 -0.51 -2.11 0.00 0.00 174.94 172.42 3hkz s ILE 739 N 0.20 2.37 0.07 2.00 -1.16 -1.23 0.22 121.20 123.67 3hkz s ILE 739 Ca -0.02 -1.94 -0.06 0.00 -0.51 0.00 0.00 60.65 58.12 3hkz s ILE 739 Cb -0.02 -2.56 -0.05 0.00 0.61 0.00 0.00 42.46 40.44 3hkz s ILE 739 CO -0.01 -0.32 0.33 -0.32 -2.81 0.00 0.00 174.94 171.82 3hkz s MET 740 N 1.03 3.63 0.45 3.50 -2.45 -0.99 -2.10 119.30 122.37 3hkz s MET 740 Ca 0.01 -0.04 -0.23 0.00 -1.25 0.00 0.00 55.69 54.18 3hkz s MET 740 Cb -0.20 -2.98 -0.08 0.00 1.25 0.00 0.00 34.83 32.82 3hkz s MET 740 CO -0.06 0.57 1.16 1.21 1.05 0.00 0.00 175.02 178.94 3hkz s ASN 741 N -2.00 6.27 0.27 1.11 3.84 -1.07 -1.97 114.94 121.39 3hkz s ASN 741 Ca 0.34 2.29 0.12 0.00 0.21 0.00 0.00 52.86 55.82 3hkz s ASN 741 Cb -0.13 -2.60 0.31 0.00 -0.55 0.00 0.00 41.25 38.27 3hkz s ASN 741 CO 0.20 -0.85 1.57 -0.09 -2.79 0.00 0.00 177.10 175.14 3hkz h ARG 742 N 2.17 0.00 0.03 0.43 2.43 -1.51 -3.25 114.38 114.69 3hkz h ARG 742 Ca -0.49 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.32 3hkz h ARG 742 Cb 1.24 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.74 3hkz h ARG 742 CO 0.61 0.62 -2.14 0.43 -1.51 0.00 0.00 179.97 177.98 3hkz n SER 743 N -3.60 1.25 -0.26 -3.80 7.64 -1.26 -1.57 113.62 112.03 3hkz n SER 743 Ca -0.00 0.13 0.09 0.00 1.01 0.00 0.00 58.87 60.09 3hkz n SER 743 Cb 0.66 -0.09 0.34 0.00 -1.01 0.00 0.00 64.21 64.11 3hkz n SER 743 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3hkz h SER 744 N 0.02 0.71 0.18 6.43 0.02 -1.95 0.11 113.55 119.06 3hkz h SER 744 Ca -0.46 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.51 3hkz h SER 744 Cb 2.05 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 64.47 3hkz h SER 744 CO 0.03 0.40 -0.08 0.58 -1.14 0.00 0.00 176.83 176.62 3hkz h VAL 745 N 0.78 0.92 0.00 2.27 2.07 -1.61 -0.76 116.25 119.92 3hkz h VAL 745 Ca 0.41 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.48 3hkz h VAL 745 Cb 0.51 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.47 3hkz h VAL 745 CO -0.17 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.90 3hkz n GLU 746 N -5.10 0.05 0.00 1.57 1.02 -0.50 -1.31 120.64 116.37 3hkz n GLU 746 Ca -0.09 0.40 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 3hkz n GLU 746 Cb 0.19 -1.62 -0.05 0.00 -0.02 0.00 0.00 31.44 29.95 3hkz n GLU 746 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hkz n ARG 747 N -1.71 0.54 0.00 3.49 1.74 0.25 -4.99 116.66 115.98 3hkz n ARG 747 Ca 0.02 -0.45 0.00 0.00 -0.77 0.00 0.00 57.85 56.65 3hkz n ARG 747 Cb 0.11 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 3hkz n ARG 747 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkz n GLY 748 N 1.46 1.36 3.65 -0.13 0.00 -0.43 -5.09 105.19 106.02 3hkz n GLY 748 Ca 0.06 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.58 3hkz n GLY 748 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3hkz n MET 749 N 0.00 1.81 -0.94 1.61 0.00 -0.30 -1.46 117.12 117.86 3hkz n MET 749 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 57.70 58.34 3hkz n MET 749 Cb 0.00 -2.54 0.00 0.00 0.00 0.00 0.00 33.22 30.68 3hkz n MET 749 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 3hkz n TYR 750 N 7.08 0.00 -1.86 1.12 4.02 -1.26 -4.52 117.16 121.74 3hkz n TYR 750 Ca 0.26 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.74 3hkz n TYR 750 Cb 0.26 -1.03 -0.02 0.00 -0.02 0.00 0.00 39.34 38.53 3hkz n TYR 750 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3hkz s ARG 751 N -0.96 4.18 0.00 -0.72 0.52 -0.53 -4.53 118.95 116.90 3hkz s ARG 751 Ca 0.00 2.47 0.00 0.00 -0.52 0.00 0.00 55.73 57.68 3hkz s ARG 751 Cb 0.00 -3.08 0.00 0.00 0.52 0.00 0.00 34.95 32.39 3hkz s ARG 751 CO 0.00 -0.60 0.00 -1.13 0.02 0.00 0.00 175.30 173.59 3hkz n SER 752 N 2.96 1.99 -3.74 0.23 3.41 -0.96 -0.65 113.62 116.87 3hkz n SER 752 Ca 0.11 -0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.29 3hkz n SER 752 Cb 0.38 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.23 3hkz n SER 752 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3hkz s THR 753 N 0.43 0.01 -0.06 6.66 2.01 -0.37 -3.14 115.64 121.17 3hkz s THR 753 Ca 0.00 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.90 3hkz s THR 753 Cb 0.00 -0.56 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3hkz s THR 753 CO 0.00 -0.04 0.12 0.12 -0.69 0.00 0.00 174.62 174.13 3hkz s PHE 754 N -0.03 3.45 -0.19 4.92 5.36 -0.87 -2.33 117.98 128.28 3hkz s PHE 754 Ca -0.02 0.36 0.01 0.00 -0.96 0.00 0.00 56.93 56.32 3hkz s PHE 754 Cb -0.03 -1.84 0.04 0.00 -0.34 0.00 0.00 43.02 40.85 3hkz s PHE 754 CO 0.01 0.63 -0.09 -0.06 -1.46 0.00 0.00 175.22 174.25 3hkz s PHE 755 N -1.12 2.24 0.40 10.12 0.40 -0.60 -2.16 117.98 127.28 3hkz s PHE 755 Ca 0.20 -1.46 0.08 0.00 -0.60 0.00 0.00 56.93 55.15 3hkz s PHE 755 Cb -0.12 -1.56 -0.03 0.00 0.51 0.00 0.00 43.02 41.81 3hkz s PHE 755 CO 0.10 -0.71 0.30 0.50 0.70 0.00 0.00 175.22 176.11 3hkz s ARG 756 N 1.45 2.45 -0.03 0.44 3.52 -1.24 -1.29 118.95 124.25 3hkz s ARG 756 Ca -0.00 -1.60 0.00 0.00 -0.13 0.00 0.00 55.73 54.00 3hkz s ARG 756 Cb -0.16 -2.27 0.03 0.00 -1.56 0.00 0.00 34.95 30.99 3hkz s ARG 756 CO -0.08 -0.13 0.00 -1.17 -0.81 0.00 0.00 175.30 173.11 3hkz s LEU 757 N -4.04 1.04 0.25 -0.88 0.20 -1.26 -1.32 118.68 112.67 3hkz s LEU 757 Ca 0.45 -0.03 0.12 0.00 0.69 0.00 0.00 54.13 55.36 3hkz s LEU 757 Cb -0.01 -0.24 -0.05 0.00 -0.43 0.00 0.00 46.19 45.46 3hkz s LEU 757 CO 0.26 -0.12 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.69 3hkz s TYR 758 N 1.18 2.31 0.00 5.38 1.51 -0.32 -4.97 117.35 122.45 3hkz s TYR 758 Ca -0.07 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.65 3hkz s TYR 758 Cb -0.13 -1.05 0.00 0.00 -0.11 0.00 0.00 41.96 40.66 3hkz s TYR 758 CO -0.02 0.64 0.00 -1.13 -1.11 0.00 0.00 175.55 173.93 3hkz n SER 759 N -0.32 0.00 -3.85 2.29 3.41 -1.26 -0.59 113.62 113.30 3hkz n SER 759 Ca -0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.42 3hkz n SER 759 Cb 0.59 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 3hkz n SER 759 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3hkz s THR 760 N -2.00 0.00 0.41 6.66 -4.23 -1.19 -5.04 115.64 110.25 3hkz s THR 760 Ca 0.00 -1.65 0.04 0.00 -1.18 0.00 0.00 61.69 58.90 3hkz s THR 760 Cb 0.00 -2.41 0.04 0.00 1.34 0.00 0.00 72.50 71.47 3hkz s THR 760 CO 0.00 0.00 0.31 -0.62 -0.54 0.00 0.00 174.62 173.77 3hkz n GLU 761 N -0.40 0.88 -0.09 3.99 1.02 -1.26 -2.37 120.64 122.40 3hkz n GLU 761 Ca 0.00 -2.56 -0.23 0.00 -0.02 0.00 0.00 57.16 54.35 3hkz n GLU 761 Cb 0.63 0.27 -0.12 0.00 -0.02 0.00 0.00 31.44 32.20 3hkz n GLU 761 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hkz n GLU 762 N -1.46 0.63 -1.53 3.49 2.13 -1.26 -4.83 120.64 117.81 3hkz n GLU 762 Ca -0.01 0.35 -0.43 0.00 0.66 0.00 0.00 57.16 57.73 3hkz n GLU 762 Cb 0.47 -1.64 -0.05 0.00 0.27 0.00 0.00 31.44 30.49 3hkz n GLU 762 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 3hkz n VAL 763 N -3.98 0.12 -0.36 6.31 0.31 -1.26 -4.30 118.33 115.17 3hkz n VAL 763 Ca -0.40 -0.47 0.07 0.00 -0.01 0.00 0.00 64.34 63.52 3hkz n VAL 763 Cb 0.87 -2.18 0.20 0.00 -0.91 0.00 0.00 33.84 31.82 3hkz n VAL 763 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hkz n LYS 764 N 8.66 2.94 -3.56 5.55 5.02 -1.26 -4.98 118.16 130.54 3hkz n LYS 764 Ca 0.39 -2.30 -0.12 0.00 -2.02 0.00 0.00 58.31 54.26 3hkz n LYS 764 Cb 0.38 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.90 3hkz n LYS 764 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hkz s TYR 765 N -1.37 -0.43 0.69 2.13 5.04 -1.26 -4.70 117.35 117.45 3hkz s TYR 765 Ca 0.31 0.69 -0.09 0.00 -2.44 0.00 0.00 57.07 55.54 3hkz s TYR 765 Cb 0.19 0.45 0.03 0.00 0.35 0.00 0.00 41.96 42.97 3hkz s TYR 765 CO 0.17 -0.42 1.05 -1.25 -1.34 0.00 0.00 175.55 173.75 3hkz s PRO 766 N -1.35 2.66 0.71 4.97 0.04 -1.26 -4.25 135.00 136.52 3hkz s PRO 766 Ca -0.03 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.21 3hkz s PRO 766 Cb -0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.44 3hkz s PRO 766 CO 0.02 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.42 3hkz n GLY 767 N -2.93 0.80 3.76 0.56 0.00 -1.26 -4.53 105.19 101.59 3hkz n GLY 767 Ca 0.07 0.58 -0.33 0.00 0.00 0.00 0.00 46.02 46.33 3hkz n GLY 767 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 768 N 0.00 3.48 7.00 -0.02 0.00 -1.26 -5.05 105.19 109.34 3hkz n GLY 768 Ca 0.00 -2.37 0.00 0.00 0.00 0.00 0.00 46.02 43.65 3hkz n GLY 768 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hkz n GLN 769 N -1.35 0.00 -0.44 1.61 6.02 -1.26 -4.82 117.38 117.15 3hkz n GLN 769 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.79 3hkz n GLN 769 Cb 0.66 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.92 3hkz n GLN 769 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3hkz n GLU 770 N 12.27 -0.29 -4.58 -1.09 0.00 -1.26 -4.94 120.64 120.75 3hkz n GLU 770 Ca 0.00 0.54 -0.32 0.00 0.00 0.00 0.00 57.16 57.38 3hkz n GLU 770 Cb 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 31.44 31.16 3hkz n GLU 770 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 3hkz s ASP 771 N -0.34 4.25 0.21 4.31 1.11 -1.26 -4.88 116.67 120.07 3hkz s ASP 771 Ca 0.00 -1.59 0.02 0.00 0.18 0.00 0.00 52.55 51.16 3hkz s ASP 771 Cb 0.00 0.57 -0.01 0.00 1.07 0.00 0.00 42.92 44.55 3hkz s ASP 771 CO 0.00 -0.94 0.08 0.29 1.18 0.00 0.00 175.17 175.78 3hkz n LYS 772 N -1.40 0.74 -3.36 8.23 5.02 -1.22 -4.42 118.16 121.76 3hkz n LYS 772 Ca -0.16 -1.78 -0.33 0.00 -2.02 0.00 0.00 58.31 54.02 3hkz n LYS 772 Cb 0.66 0.98 -0.06 0.00 -0.02 0.00 0.00 35.03 36.60 3hkz n LYS 772 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3hkz n ILE 773 N -0.47 3.25 -4.30 -0.18 5.41 -1.26 -2.54 119.36 119.27 3hkz n ILE 773 Ca -0.03 -5.39 -0.18 0.00 1.00 0.00 0.00 62.75 58.15 3hkz n ILE 773 Cb 0.32 -2.13 -0.15 0.00 -0.71 0.00 0.00 39.64 36.96 3hkz n ILE 773 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3hkz s VAL 774 N -2.38 0.61 -0.47 1.39 1.01 -1.16 -4.58 120.40 114.82 3hkz s VAL 774 Ca 0.35 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.71 3hkz s VAL 774 Cb 0.08 -0.52 -0.15 0.00 0.00 0.00 0.00 36.38 35.79 3hkz s VAL 774 CO -0.00 0.18 1.69 0.80 0.00 0.00 0.00 175.10 177.77 3hkz n MET 775 N 2.96 0.00 -1.79 2.72 1.56 -1.26 -4.68 117.12 116.63 3hkz n MET 775 Ca -0.14 0.00 -0.30 0.00 -0.27 0.00 0.00 57.70 56.99 3hkz n MET 775 Cb 0.57 -1.11 0.08 0.00 2.15 0.00 0.00 33.22 34.91 3hkz n MET 775 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3hkz s PRO 776 N 5.03 2.21 0.00 2.12 0.04 -1.26 -5.04 135.00 138.10 3hkz s PRO 776 Ca 0.92 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3hkz s PRO 776 Cb -1.06 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 31.53 3hkz s PRO 776 CO 0.45 -1.47 0.00 0.39 0.04 0.00 0.00 177.00 176.41 3hkz n GLU 777 N -3.28 0.19 -3.63 4.56 1.02 -1.26 -5.07 120.64 113.17 3hkz n GLU 777 Ca 0.07 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.82 3hkz n GLU 777 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.89 3hkz n GLU 777 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hkz s ALA 778 N -2.00 3.26 0.15 0.62 0.00 -1.26 -4.93 121.76 117.60 3hkz s ALA 778 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 51.96 50.39 3hkz s ALA 778 Cb 0.00 -2.48 0.00 0.00 0.00 0.00 0.00 23.12 20.64 3hkz s ALA 778 CO 0.00 -1.17 0.00 0.41 0.00 0.00 0.00 175.76 175.00 3hkz n GLY 779 N 4.98 -0.16 0.00 0.00 0.00 -1.26 -5.05 105.19 103.70 3hkz n GLY 779 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3hkz n GLY 779 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hkz n VAL 780 N -3.08 0.00 0.00 1.61 0.31 -1.26 -4.98 118.33 110.93 3hkz n VAL 780 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3hkz n VAL 780 Cb 0.03 1.10 0.00 0.00 -0.91 0.00 0.00 33.84 34.06 3hkz n VAL 780 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3hkz n ARG 781 N 0.00 0.00 -3.70 5.55 0.00 -1.26 -0.41 116.66 116.84 3hkz n ARG 781 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 3hkz n ARG 781 Cb 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.43 3hkz n ARG 781 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 3hkz s GLY 782 N 0.00 -0.33 0.00 5.14 0.00 -1.18 -4.96 107.32 105.98 3hkz s GLY 782 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.17 3hkz s GLY 782 CO 0.00 1.51 0.00 -1.72 0.00 0.00 0.00 173.10 172.89 3hkz n TYR 783 N 3.85 0.00 -3.11 1.90 4.02 -1.26 -4.11 117.16 118.44 3hkz n TYR 783 Ca -0.20 0.00 0.04 0.00 -0.01 0.00 0.00 57.90 57.73 3hkz n TYR 783 Cb 0.56 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.88 3hkz n TYR 783 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3hkz s LYS 784 N 4.70 0.38 0.22 -0.72 1.02 -1.26 -4.78 119.74 119.31 3hkz s LYS 784 Ca 0.00 0.22 0.00 0.00 0.02 0.00 0.00 55.97 56.21 3hkz s LYS 784 Cb 0.00 0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 3hkz s LYS 784 CO 0.00 -0.67 0.00 0.41 -0.92 0.00 0.00 175.35 174.17 3hkz n GLY 785 N 4.96 -2.60 2.96 -3.33 0.00 -1.26 -5.01 105.19 100.91 3hkz n GLY 785 Ca 0.08 -1.31 -0.10 0.00 0.00 0.00 0.00 46.02 44.68 3hkz n GLY 785 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s LYS 786 N -3.04 0.26 -1.51 1.61 1.02 -1.26 -4.88 119.74 111.93 3hkz s LYS 786 Ca 0.00 -0.45 -0.13 0.00 0.02 0.00 0.00 55.97 55.41 3hkz s LYS 786 Cb 0.00 0.03 0.09 0.00 -0.52 0.00 0.00 37.83 37.42 3hkz s LYS 786 CO 0.00 -0.02 0.86 0.39 -0.92 0.00 0.00 175.35 175.66 3hkz n GLU 787 N 2.01 -4.93 0.07 1.68 4.71 -1.26 -4.84 120.64 118.08 3hkz n GLU 787 Ca -0.20 0.58 -0.22 0.00 -0.01 0.00 0.00 57.16 57.30 3hkz n GLU 787 Cb 0.56 -5.43 -0.15 0.00 -1.01 0.00 0.00 31.44 25.42 3hkz n GLU 787 CO 0.00 0.00 0.00 1.88 0.09 0.00 0.00 177.13 179.10 3hkz h TYR 788 N -1.81 0.69 -0.94 -0.32 0.05 -1.95 -3.43 116.97 109.26 3hkz h TYR 788 Ca -0.55 -0.50 0.11 0.00 0.05 0.00 0.00 58.73 57.84 3hkz h TYR 788 Cb 1.36 -0.03 -0.13 0.00 1.01 0.00 0.00 36.73 38.94 3hkz h TYR 788 CO 0.59 1.67 -0.46 0.66 -1.05 0.00 0.00 178.16 179.57 3hkz n TYR 789 N -3.57 -0.19 0.00 4.88 0.53 -1.26 -4.19 117.16 113.35 3hkz n TYR 789 Ca -0.25 1.16 0.00 0.00 -1.02 0.00 0.00 57.90 57.79 3hkz n TYR 789 Cb 1.07 -0.71 0.00 0.00 -1.03 0.00 0.00 39.34 38.67 3hkz n TYR 789 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 3hkz n ARG 790 N -5.27 0.00 0.31 -0.72 3.00 -1.26 0.22 116.66 112.94 3hkz n ARG 790 Ca 0.06 0.00 0.19 0.00 -0.00 0.00 0.00 57.85 58.10 3hkz n ARG 790 Cb 0.31 0.00 1.04 0.00 0.00 0.00 0.00 32.46 33.81 3hkz n ARG 790 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3hkz h LEU 791 N 0.00 0.00 -9.72 6.15 3.38 -1.90 -3.39 115.31 109.83 3hkz h LEU 791 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3hkz h LEU 791 Cb 0.00 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.79 3hkz h LEU 791 CO 0.00 0.00 0.64 -0.76 0.09 0.00 0.00 178.44 178.41 3hkz s LEU 792 N -6.67 4.43 0.00 1.67 1.43 0.13 -4.10 118.68 115.58 3hkz s LEU 792 Ca -0.05 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.49 3hkz s LEU 792 Cb 0.13 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3hkz s LEU 792 CO 0.44 -0.50 0.00 -0.62 0.23 0.00 0.00 176.35 175.90 3hkz n GLU 793 N 2.21 3.37 -0.13 1.70 4.71 -0.52 -4.79 120.64 127.20 3hkz n GLU 793 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.09 3hkz n GLU 793 Cb 0.43 0.00 -0.02 0.00 -1.01 0.00 0.00 31.44 30.84 3hkz n GLU 793 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 3hkz h ASP 794 N 0.00 0.71 0.40 1.62 2.03 -1.96 -3.05 116.42 116.18 3hkz h ASP 794 Ca 0.00 -0.33 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3hkz h ASP 794 Cb 0.00 -0.19 0.00 0.00 -0.83 0.00 0.00 39.33 38.31 3hkz h ASP 794 CO 0.00 0.87 0.00 -0.46 -1.03 0.00 0.00 179.24 178.62 3hkz n ASN 795 N -4.41 0.00 0.00 4.15 0.23 -1.26 -4.14 115.26 109.83 3hkz n ASN 795 Ca -0.01 0.22 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 3hkz n ASN 795 Cb 0.32 -0.36 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 3hkz n ASN 795 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3hkz n GLY 796 N 0.14 0.78 3.02 4.83 0.00 -1.15 -4.21 105.19 108.59 3hkz n GLY 796 Ca 0.06 -0.63 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3hkz n GLY 796 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 797 N -2.00 0.35 1.16 1.61 1.01 -1.26 0.18 120.40 121.44 3hkz s VAL 797 Ca 0.00 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 3hkz s VAL 797 Cb 0.00 -0.45 0.27 0.00 0.00 0.00 0.00 36.38 36.20 3hkz s VAL 797 CO 0.00 -0.43 1.07 0.68 0.00 0.00 0.00 175.10 176.42 3hkz s VAL 798 N -1.40 1.76 -0.12 2.92 -7.23 -1.09 -1.43 120.40 113.81 3hkz s VAL 798 Ca -0.12 0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 59.98 3hkz s VAL 798 Cb -0.10 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.52 3hkz s VAL 798 CO -0.00 0.00 0.28 -0.94 -0.31 0.00 0.00 175.10 174.12 3hkz s SER 799 N -3.44 -0.31 0.00 4.85 1.04 -1.26 -4.87 113.70 109.71 3hkz s SER 799 Ca 0.68 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.71 3hkz s SER 799 Cb -0.16 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.44 3hkz s SER 799 CO 0.58 -0.17 0.00 -2.65 0.98 0.00 0.00 173.24 171.98 3hkz n PRO 800 N 4.17 0.00 0.00 4.02 -0.02 -1.26 -3.97 135.00 137.94 3hkz n PRO 800 Ca -0.24 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.24 3hkz n PRO 800 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 3hkz n PRO 800 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hkz n GLU 801 N 0.00 0.00 -3.68 -0.52 -0.58 -0.81 -4.60 120.64 110.45 3hkz n GLU 801 Ca 0.00 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.35 3hkz n GLU 801 Cb 0.00 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.76 3hkz n GLU 801 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3hkz s VAL 802 N 0.00 3.96 -0.28 2.62 1.01 -1.25 -4.86 120.40 121.60 3hkz s VAL 802 Ca 0.00 -1.31 -0.28 0.00 0.00 0.00 0.00 61.98 60.39 3hkz s VAL 802 Cb 0.00 -3.36 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 3hkz s VAL 802 CO 0.00 -0.36 2.27 -0.62 0.00 0.00 0.00 175.10 176.39 3hkz n GLU 803 N 4.85 1.74 -4.15 2.72 1.02 -1.26 -2.11 120.64 123.44 3hkz n GLU 803 Ca -0.11 0.41 -0.30 0.00 -0.02 0.00 0.00 57.16 57.15 3hkz n GLU 803 Cb 0.44 -3.28 -0.08 0.00 -0.02 0.00 0.00 31.44 28.49 3hkz n GLU 803 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hkz s VAL 804 N 9.22 3.86 0.23 2.62 1.01 -0.61 -4.98 120.40 131.75 3hkz s VAL 804 Ca 1.01 -1.09 0.05 0.00 0.00 0.00 0.00 61.98 61.94 3hkz s VAL 804 Cb -0.31 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3hkz s VAL 804 CO 0.33 0.09 0.20 0.29 0.00 0.00 0.00 175.10 176.02 3hkz n LYS 805 N 0.51 0.30 0.00 2.72 4.01 -1.26 -1.25 118.16 123.18 3hkz n LYS 805 Ca -0.11 -2.32 0.00 0.00 -0.51 0.00 0.00 58.31 55.37 3hkz n LYS 805 Cb 0.52 1.92 0.00 0.00 -0.51 0.00 0.00 35.03 36.96 3hkz n LYS 805 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hkz n GLY 806 N -0.44 0.07 1.55 0.72 0.00 -1.01 -2.28 105.19 103.78 3hkz n GLY 806 Ca 0.05 -0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.00 3hkz n GLY 806 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 807 N 0.00 3.03 3.69 -0.02 0.00 -1.26 -4.27 105.19 106.36 3hkz n GLY 807 Ca 0.00 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 3hkz n GLY 807 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 808 N 0.88 3.16 -0.33 1.61 1.11 -0.97 -4.60 116.67 117.53 3hkz s ASP 808 Ca 0.14 2.11 -0.18 0.00 0.18 0.00 0.00 52.55 54.81 3hkz s ASP 808 Cb 0.12 -2.55 -0.01 0.00 1.07 0.00 0.00 42.92 41.54 3hkz s ASP 808 CO 0.01 -2.94 0.49 -0.69 1.18 0.00 0.00 175.17 173.22 3hkz s VAL 809 N -2.69 5.04 -0.17 -1.27 1.01 -1.26 -1.20 120.40 119.86 3hkz s VAL 809 Ca 0.66 0.40 -0.20 0.00 0.00 0.00 0.00 61.98 62.83 3hkz s VAL 809 Cb -0.22 -3.92 -0.23 0.00 0.00 0.00 0.00 36.38 32.02 3hkz s VAL 809 CO 0.58 -0.14 0.40 -0.07 0.00 0.00 0.00 175.10 175.86 3hkz h LEU 810 N 9.00 0.12 -8.04 3.92 3.38 -1.55 -3.42 115.31 118.71 3hkz h LEU 810 Ca -0.28 -0.70 -0.52 0.00 0.09 0.00 0.00 57.88 56.46 3hkz h LEU 810 Cb 1.13 -0.04 -0.33 0.00 0.09 0.00 0.00 40.66 41.51 3hkz h LEU 810 CO 0.75 1.46 -0.82 -0.63 0.09 0.00 0.00 178.44 179.30 3hkz s ILE 811 N -2.38 1.19 -0.40 1.22 1.01 -0.77 -2.68 121.20 118.40 3hkz s ILE 811 Ca -0.25 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 59.73 3hkz s ILE 811 Cb 0.04 -1.07 0.02 0.00 0.01 0.00 0.00 42.46 41.46 3hkz s ILE 811 CO 0.66 0.36 0.27 -0.83 0.00 0.00 0.00 174.94 175.41 3hkz s GLY 812 N 0.49 1.99 0.01 6.18 0.00 0.13 0.63 107.32 116.75 3hkz s GLY 812 Ca -0.12 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 42.89 3hkz s GLY 812 CO 0.03 0.90 0.00 0.28 0.00 0.00 0.00 173.10 174.31 3hkz n LYS 813 N 5.12 1.88 -3.65 2.90 5.02 -1.26 -3.00 118.16 125.16 3hkz n LYS 813 Ca -0.11 -0.08 0.01 0.00 -2.02 0.00 0.00 58.31 56.11 3hkz n LYS 813 Cb 0.47 0.02 -0.06 0.00 -0.02 0.00 0.00 35.03 35.43 3hkz n LYS 813 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hkz s VAL 814 N -0.85 0.00 0.12 -0.18 1.01 -1.05 -4.00 120.40 115.45 3hkz s VAL 814 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3hkz s VAL 814 Cb -0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 3hkz s VAL 814 CO 0.00 0.00 -0.04 -0.94 0.00 0.00 0.00 175.10 174.12 3hkz s SER 815 N 0.84 4.69 0.02 3.32 1.04 -0.52 -3.37 113.70 119.71 3hkz s SER 815 Ca -0.05 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.89 3hkz s SER 815 Cb -0.03 -0.99 -0.06 0.00 0.10 0.00 0.00 66.02 65.04 3hkz s SER 815 CO -0.11 0.15 0.44 -2.16 0.98 0.00 0.00 173.24 172.53 3hkz s PRO 816 N -2.49 3.95 0.40 4.02 0.04 -1.26 -1.06 135.00 138.60 3hkz s PRO 816 Ca 0.25 0.45 -0.01 0.00 0.04 0.00 0.00 61.00 61.73 3hkz s PRO 816 Cb -0.11 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.32 3hkz s PRO 816 CO 0.17 0.67 0.55 -0.35 0.04 0.00 0.00 177.00 178.08 3hkz n PRO 817 N 1.71 0.15 -2.70 0.56 -0.04 -1.26 -4.96 135.00 128.47 3hkz n PRO 817 Ca -0.13 -1.43 -0.06 0.00 -0.04 0.00 0.00 63.50 61.84 3hkz n PRO 817 Cb 0.52 -0.39 0.08 0.00 -0.04 0.00 0.00 33.50 33.67 3hkz n PRO 817 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3hkz n ARG 818 N -2.04 0.43 -0.28 0.54 0.63 -1.26 -5.06 116.66 109.62 3hkz n ARG 818 Ca 0.09 -1.14 0.10 0.00 -0.92 0.00 0.00 57.85 55.97 3hkz n ARG 818 Cb 0.32 -0.64 0.25 0.00 0.45 0.00 0.00 32.46 32.83 3hkz n ARG 818 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hkz n ALA 831 N 1.15 2.32 -3.46 5.13 0.00 0.46 -5.30 120.51 120.81 3hkz n ALA 831 Ca 0.02 -1.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.16 3hkz n ALA 831 Cb 0.70 -0.75 -0.10 0.00 0.00 0.00 0.00 19.45 19.30 3hkz n ALA 831 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hkz s LYS 832 N -1.06 0.28 0.21 0.00 1.02 -1.26 -4.36 119.74 114.56 3hkz s LYS 832 Ca 0.39 0.55 -0.06 0.00 0.02 0.00 0.00 55.97 56.87 3hkz s LYS 832 Cb 0.20 -0.48 -0.06 0.00 -0.52 0.00 0.00 37.83 36.98 3hkz s LYS 832 CO 0.27 -0.55 0.46 0.50 -0.92 0.00 0.00 175.35 175.12 3hkz s ARG 833 N 2.49 3.66 -0.00 1.68 3.52 -0.22 -3.10 118.95 126.97 3hkz s ARG 833 Ca 0.08 -0.00 -0.23 0.00 -0.13 0.00 0.00 55.73 55.45 3hkz s ARG 833 Cb -0.15 -2.75 -0.19 0.00 -1.56 0.00 0.00 34.95 30.31 3hkz s ARG 833 CO -0.14 0.36 1.23 0.22 -0.81 0.00 0.00 175.30 176.16 3hkz h ASP 834 N 2.39 0.26 0.00 -2.12 3.58 -1.86 -1.38 116.42 117.29 3hkz h ASP 834 Ca -0.47 -0.58 0.00 0.00 0.42 0.00 0.00 57.03 56.41 3hkz h ASP 834 Cb 1.17 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3hkz h ASP 834 CO 0.70 0.79 0.00 0.41 -2.88 0.00 0.00 179.24 178.25 3hkz n THR 835 N -4.60 0.00 -1.51 2.25 -1.04 -1.26 -3.36 114.28 104.76 3hkz n THR 835 Ca -0.08 0.00 -0.49 0.00 -2.04 0.00 0.00 64.05 61.44 3hkz n THR 835 Cb 0.39 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.86 3hkz n THR 835 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3hkz n SER 836 N 0.00 0.21 -4.66 8.00 3.41 -1.26 -4.80 113.62 114.53 3hkz n SER 836 Ca 0.00 1.15 -0.43 0.00 -0.26 0.00 0.00 58.87 59.33 3hkz n SER 836 Cb 0.00 -1.10 -0.02 0.00 -0.26 0.00 0.00 64.21 62.83 3hkz n SER 836 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3hkz s ILE 837 N -0.65 4.37 0.30 -1.33 -1.09 0.20 -4.85 121.20 118.16 3hkz s ILE 837 Ca 0.69 1.65 0.06 0.00 -2.23 0.00 0.00 60.65 60.83 3hkz s ILE 837 Cb -0.90 -4.08 -0.02 0.00 -1.58 0.00 0.00 42.46 35.88 3hkz s ILE 837 CO 0.56 -0.16 0.37 -0.69 -1.23 0.00 0.00 174.94 173.79 3hkz s VAL 838 N 3.46 4.29 0.09 2.92 1.01 -1.26 -1.43 120.40 129.48 3hkz s VAL 838 Ca 0.52 -1.12 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 3hkz s VAL 838 Cb -0.20 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.65 3hkz s VAL 838 CO 0.13 -0.22 0.81 -0.89 0.00 0.00 0.00 175.10 174.93 3hkz s THR 839 N -2.15 4.59 0.23 3.92 2.01 -0.34 -4.81 115.64 119.09 3hkz s THR 839 Ca 0.40 1.75 -0.29 0.00 0.31 0.00 0.00 61.69 63.86 3hkz s THR 839 Cb -0.08 -4.17 -0.15 0.00 0.01 0.00 0.00 72.50 68.10 3hkz s THR 839 CO 0.29 0.39 0.89 0.54 -0.69 0.00 0.00 174.62 176.04 3hkz n ARG 840 N 2.52 0.87 -0.33 4.92 5.12 -1.26 -4.18 116.66 124.31 3hkz n ARG 840 Ca -0.02 0.30 0.30 0.00 -1.93 0.00 0.00 57.85 56.51 3hkz n ARG 840 Cb 0.50 -1.59 0.65 0.00 -1.16 0.00 0.00 32.46 30.86 3hkz n ARG 840 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hkz h HIS 841 N 1.99 0.28 0.00 -1.55 -0.00 -1.78 -2.67 115.15 111.42 3hkz h HIS 841 Ca -0.37 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.01 3hkz h HIS 841 Cb 1.37 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.70 3hkz h HIS 841 CO 0.47 0.01 -1.25 0.41 -0.00 0.00 0.00 177.93 177.58 3hkz n GLY 842 N -1.64 -0.44 3.76 5.26 0.00 -1.26 -4.62 105.19 106.24 3hkz n GLY 842 Ca 0.26 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 3hkz n GLY 842 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkz s GLU 843 N -2.64 1.95 0.28 1.61 2.02 -1.01 -4.87 118.70 116.04 3hkz s GLU 843 Ca -0.02 1.01 0.01 0.00 0.02 0.00 0.00 54.97 55.99 3hkz s GLU 843 Cb 0.09 -1.87 -0.03 0.00 0.10 0.00 0.00 34.13 32.42 3hkz s GLU 843 CO 0.52 -1.81 0.27 0.00 0.02 0.00 0.00 175.26 174.27 3hkz s MET 844 N -4.94 1.57 0.00 1.61 0.23 -1.26 -2.41 119.30 114.10 3hkz s MET 844 Ca 0.62 -1.77 0.00 0.00 -1.03 0.00 0.00 55.69 53.50 3hkz s MET 844 Cb -0.17 0.34 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 3hkz s MET 844 CO 0.56 -0.58 0.00 0.41 -2.03 0.00 0.00 175.02 173.38 3hkz n GLY 845 N -0.47 3.99 3.68 3.16 0.00 -0.38 -4.85 105.19 110.33 3hkz n GLY 845 Ca 0.04 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.10 3hkz n GLY 845 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 846 N -2.00 4.66 -0.08 -0.61 1.09 0.48 -1.58 121.20 123.16 3hkz s ILE 846 Ca 0.00 1.94 -0.30 0.00 -1.10 0.00 0.00 60.65 61.20 3hkz s ILE 846 Cb 0.00 -4.25 -0.08 0.00 -1.06 0.00 0.00 42.46 37.08 3hkz s ILE 846 CO 0.00 -0.02 2.08 0.52 -0.10 0.00 0.00 174.94 177.42 3hkz n VAL 847 N 4.65 0.59 -0.10 2.92 0.31 -0.90 -0.29 118.33 125.51 3hkz n VAL 847 Ca 0.10 -0.27 -0.18 0.00 -0.01 0.00 0.00 64.34 63.97 3hkz n VAL 847 Cb 0.48 -2.39 -0.12 0.00 -0.91 0.00 0.00 33.84 30.89 3hkz n VAL 847 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3hkz n ASP 848 N 9.22 1.96 -3.69 4.52 4.64 0.57 -1.92 116.55 131.86 3hkz n ASP 848 Ca 0.24 -0.07 -0.12 0.00 -1.38 0.00 0.00 54.79 53.47 3hkz n ASP 848 Cb 0.42 -0.46 -0.09 0.00 -1.04 0.00 0.00 41.12 39.94 3hkz n ASP 848 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 3hkz s LEU 849 N -6.59 -0.16 0.07 -2.67 2.96 -0.61 -4.74 118.68 106.94 3hkz s LEU 849 Ca -0.32 1.10 0.09 0.00 -0.22 0.00 0.00 54.13 54.78 3hkz s LEU 849 Cb 0.08 1.82 -0.03 0.00 0.50 0.00 0.00 46.19 48.56 3hkz s LEU 849 CO 0.64 -0.19 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.55 3hkz s VAL 850 N 0.64 1.90 -0.17 1.68 1.01 -1.26 0.44 120.40 124.64 3hkz s VAL 850 Ca -0.03 -1.41 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 3hkz s VAL 850 Cb -0.05 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.73 3hkz s VAL 850 CO -0.04 0.17 0.42 -0.22 0.00 0.00 0.00 175.10 175.43 3hkz s LEU 851 N -1.49 0.09 -0.09 3.92 0.20 -1.05 -5.01 118.68 115.25 3hkz s LEU 851 Ca 0.09 0.88 0.03 0.00 0.69 0.00 0.00 54.13 55.82 3hkz s LEU 851 Cb -0.10 1.40 0.01 0.00 -0.43 0.00 0.00 46.19 47.07 3hkz s LEU 851 CO 0.03 -0.18 -0.18 -0.63 -0.29 0.00 0.00 176.35 175.10 3hkz s ILE 852 N 0.94 1.65 0.00 6.68 1.09 -1.26 -1.75 121.20 128.55 3hkz s ILE 852 Ca -0.06 -0.77 0.00 0.00 -1.10 0.00 0.00 60.65 58.73 3hkz s ILE 852 Cb -0.06 -1.46 0.00 0.00 -1.06 0.00 0.00 42.46 39.88 3hkz s ILE 852 CO -0.08 0.47 0.00 0.41 -0.10 0.00 0.00 174.94 175.64 3hkz n THR 853 N 3.80 0.00 -4.32 2.92 -1.04 -0.28 -4.99 114.28 110.37 3hkz n THR 853 Ca -0.20 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.61 3hkz n THR 853 Cb 0.52 0.00 -0.13 0.00 -1.82 0.00 0.00 70.33 68.90 3hkz n THR 853 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3hkz s GLU 854 N -0.19 0.91 0.62 -2.82 2.02 -1.21 0.13 118.70 118.17 3hkz s GLU 854 Ca 0.00 -0.78 -0.17 0.00 0.02 0.00 0.00 54.97 54.04 3hkz s GLU 854 Cb 0.00 -0.91 -0.02 0.00 0.10 0.00 0.00 34.13 33.30 3hkz s GLU 854 CO 0.00 0.22 1.15 0.95 0.02 0.00 0.00 175.26 177.61 3hkz s THR 855 N -0.91 2.92 0.29 3.63 -4.23 -1.12 -4.79 115.64 111.43 3hkz s THR 855 Ca 0.01 0.50 0.19 0.00 -1.18 0.00 0.00 61.69 61.21 3hkz s THR 855 Cb -0.08 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 70.97 3hkz s THR 855 CO 0.01 -0.19 1.11 0.00 -0.54 0.00 0.00 174.62 175.01 3hkz n ALA 856 N -1.98 0.86 -0.04 3.99 0.00 -1.26 0.15 120.51 122.23 3hkz n ALA 856 Ca 0.12 0.66 -0.09 0.00 0.00 0.00 0.00 53.44 54.14 3hkz n ALA 856 Cb 0.51 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.19 3hkz n ALA 856 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hkz h GLU 857 N 0.00 0.05 0.00 0.00 4.39 -2.00 -3.47 114.58 113.55 3hkz h GLU 857 Ca 0.61 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.31 3hkz h GLU 857 Cb 1.83 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 3hkz h GLU 857 CO -0.43 0.03 0.00 0.41 -1.16 0.00 0.00 179.01 177.87 3hkz n GLY 858 N -1.18 -0.43 3.89 -3.84 0.00 0.38 -5.16 105.19 98.86 3hkz n GLY 858 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3hkz n GLY 858 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkz s ASN 859 N -0.35 6.51 -0.38 1.61 0.01 -1.26 -4.75 114.94 116.33 3hkz s ASN 859 Ca 0.00 0.80 -0.21 0.00 -0.71 0.00 0.00 52.86 52.74 3hkz s ASN 859 Cb 0.00 -2.18 -0.21 0.00 0.41 0.00 0.00 41.25 39.27 3hkz s ASN 859 CO 0.00 -0.16 1.69 0.29 -1.51 0.00 0.00 177.10 177.41 3hkz n LYS 860 N -0.65 0.78 -1.91 -0.60 5.02 -1.25 -2.78 118.16 116.77 3hkz n LYS 860 Ca -0.01 -1.29 -0.42 0.00 -2.02 0.00 0.00 58.31 54.57 3hkz n LYS 860 Cb 0.53 -2.58 -0.03 0.00 -0.02 0.00 0.00 35.03 32.94 3hkz n LYS 860 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3hkz s LEU 861 N 0.43 4.37 -0.06 -0.35 2.96 0.35 -4.43 118.68 121.96 3hkz s LEU 861 Ca 0.52 2.51 0.04 0.00 -0.22 0.00 0.00 54.13 56.98 3hkz s LEU 861 Cb 0.12 -3.56 -0.00 0.00 0.50 0.00 0.00 46.19 43.25 3hkz s LEU 861 CO 0.18 -0.90 -0.19 -0.69 -1.32 0.00 0.00 176.35 173.43 3hkz s VAL 862 N 2.70 1.58 0.14 1.68 1.01 -1.00 -1.12 120.40 125.37 3hkz s VAL 862 Ca 0.75 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 62.01 3hkz s VAL 862 Cb -0.40 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 3hkz s VAL 862 CO 0.33 0.45 -0.03 -0.54 0.00 0.00 0.00 175.10 175.31 3hkz s LYS 863 N 0.13 2.37 -0.06 2.72 1.02 -0.72 -3.20 119.74 122.01 3hkz s LYS 863 Ca -0.07 -1.02 0.03 0.00 0.02 0.00 0.00 55.97 54.92 3hkz s LYS 863 Cb -0.13 -2.39 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3hkz s LYS 863 CO 0.04 0.49 -0.13 0.08 -0.92 0.00 0.00 175.35 174.90 3hkz s VAL 864 N -1.51 1.20 0.02 3.17 1.01 0.24 -2.54 120.40 122.00 3hkz s VAL 864 Ca 0.26 -0.54 0.04 0.00 0.00 0.00 0.00 61.98 61.73 3hkz s VAL 864 Cb -0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 3hkz s VAL 864 CO 0.17 0.36 -0.08 -0.60 0.00 0.00 0.00 175.10 174.96 3hkz s ARG 865 N 0.44 2.46 -0.36 2.72 3.52 0.17 -1.18 118.95 126.72 3hkz s ARG 865 Ca -0.11 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.72 3hkz s ARG 865 Cb -0.14 -2.45 0.11 0.00 -1.56 0.00 0.00 34.95 30.91 3hkz s ARG 865 CO 0.03 0.58 0.14 0.08 -0.81 0.00 0.00 175.30 175.33 3hkz s VAL 866 N -1.02 1.25 0.51 7.11 1.01 -0.44 -0.31 120.40 128.51 3hkz s VAL 866 Ca 0.17 -1.94 -0.20 0.00 0.00 0.00 0.00 61.98 60.02 3hkz s VAL 866 Cb -0.11 -1.91 -0.10 0.00 0.00 0.00 0.00 36.38 34.26 3hkz s VAL 866 CO 0.08 -0.75 0.59 -1.14 0.00 0.00 0.00 175.10 173.89 3hkz n ARG 867 N 4.30 0.63 -3.15 2.72 0.63 0.61 -3.63 116.66 118.78 3hkz n ARG 867 Ca 0.03 0.24 0.04 0.00 -0.92 0.00 0.00 57.85 57.23 3hkz n ARG 867 Cb 0.39 -1.69 -0.01 0.00 0.45 0.00 0.00 32.46 31.61 3hkz n ARG 867 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3hkz s ASP 868 N -1.05 -1.41 -0.48 6.15 2.15 -0.92 -0.39 116.67 120.72 3hkz s ASP 868 Ca 0.66 0.81 -0.32 0.00 0.43 0.00 0.00 52.55 54.13 3hkz s ASP 868 Cb -0.51 2.15 -0.12 0.00 -0.30 0.00 0.00 42.92 44.15 3hkz s ASP 868 CO 0.56 -0.26 2.32 0.18 -0.17 0.00 0.00 175.17 177.80 3hkz n LEU 869 N 5.43 1.88 -4.18 -1.34 4.77 -1.26 -2.06 117.00 120.23 3hkz n LEU 869 Ca -0.00 0.17 -0.39 0.00 -0.03 0.00 0.00 56.01 55.76 3hkz n LEU 869 Cb 0.51 -1.28 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 3hkz n LEU 869 CO 0.02 -0.91 0.49 -0.13 -1.33 0.00 0.00 177.39 175.53 3hkz s ARG 870 N 7.13 3.59 0.30 3.23 0.52 -1.19 -4.99 118.95 127.55 3hkz s ARG 870 Ca 1.11 -3.28 -0.29 0.00 -0.52 0.00 0.00 55.73 52.75 3hkz s ARG 870 Cb -0.77 -4.15 -0.10 0.00 0.52 0.00 0.00 34.95 30.45 3hkz s ARG 870 CO 0.44 -1.26 1.30 0.42 0.02 0.00 0.00 175.30 176.22 3hkz s ILE 871 N -1.35 2.86 -0.37 1.52 1.01 -1.26 -2.26 121.20 121.34 3hkz s ILE 871 Ca 0.29 0.82 -0.27 0.00 0.00 0.00 0.00 60.65 61.49 3hkz s ILE 871 Cb -0.08 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 3hkz s ILE 871 CO -0.11 0.18 2.29 -2.16 0.00 0.00 0.00 174.94 175.14 3hkz s PRO 872 N -1.38 2.60 0.27 2.79 0.04 -1.26 -4.96 135.00 133.09 3hkz s PRO 872 Ca 0.51 1.66 0.06 0.00 0.04 0.00 0.00 61.00 63.27 3hkz s PRO 872 Cb -0.39 -4.48 -0.03 0.00 0.04 0.00 0.00 34.50 29.65 3hkz s PRO 872 CO 0.49 -2.71 0.31 0.99 0.04 0.00 0.00 177.00 176.11 3hkz s THR 873 N 10.27 4.54 -0.23 1.26 2.01 -1.26 -5.02 115.64 127.20 3hkz s THR 873 Ca 0.98 -1.20 -0.34 0.00 0.31 0.00 0.00 61.69 61.44 3hkz s THR 873 Cb -0.24 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 68.64 3hkz s THR 873 CO 0.30 -0.29 2.07 -0.38 -0.69 0.00 0.00 174.62 175.63 3hkz n ILE 874 N -1.35 0.36 0.00 1.82 -0.00 -1.26 -2.99 119.36 115.94 3hkz n ILE 874 Ca -0.06 -0.24 0.00 0.00 -0.00 0.00 0.00 62.75 62.45 3hkz n ILE 874 Cb 0.58 -1.88 0.00 0.00 -0.00 0.00 0.00 39.64 38.34 3hkz n ILE 874 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hkz n GLY 875 N 5.54 1.70 3.72 7.39 0.00 -0.72 -4.93 105.19 117.89 3hkz n GLY 875 Ca 0.32 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 3hkz n GLY 875 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 876 N -2.00 5.81 0.14 1.61 1.01 -1.16 -3.68 116.67 118.41 3hkz s ASP 876 Ca 0.00 0.22 -0.30 0.00 0.71 0.00 0.00 52.55 53.17 3hkz s ASP 876 Cb 0.00 -1.90 -0.07 0.00 1.01 0.00 0.00 42.92 41.95 3hkz s ASP 876 CO 0.00 0.28 1.24 -0.75 0.21 0.00 0.00 175.17 176.15 3hkz s LYS 877 N -0.29 4.44 0.06 8.23 2.20 -1.03 -1.50 119.74 131.85 3hkz s LYS 877 Ca 0.09 1.89 0.04 0.00 -0.36 0.00 0.00 55.97 57.63 3hkz s LYS 877 Cb -0.12 -3.27 -0.03 0.00 -1.51 0.00 0.00 37.83 32.91 3hkz s LYS 877 CO 0.01 -0.20 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.62 3hkz s PHE 878 N 0.45 1.06 -0.03 4.03 0.40 -0.67 -2.48 117.98 120.74 3hkz s PHE 878 Ca 0.57 -0.46 -0.04 0.00 -0.60 0.00 0.00 56.93 56.39 3hkz s PHE 878 Cb -0.33 -0.60 0.01 0.00 0.51 0.00 0.00 43.02 42.61 3hkz s PHE 878 CO 0.34 0.02 0.11 0.00 0.70 0.00 0.00 175.22 176.38 3hkz s ALA 879 N -1.27 -0.26 0.89 5.36 0.00 -0.60 -2.86 121.76 123.02 3hkz s ALA 879 Ca -0.04 0.12 -0.10 0.00 0.00 0.00 0.00 51.96 51.94 3hkz s ALA 879 Cb -0.10 -0.08 0.19 0.00 0.00 0.00 0.00 23.12 23.12 3hkz s ALA 879 CO 0.02 -0.10 1.21 -1.54 0.00 0.00 0.00 175.76 175.35 3hkz s SER 880 N -0.45 3.45 0.00 0.00 1.04 -1.18 -0.18 113.70 116.38 3hkz s SER 880 Ca -0.05 -0.05 0.28 0.00 0.48 0.00 0.00 55.95 56.60 3hkz s SER 880 Cb -0.03 -0.06 1.06 0.00 0.10 0.00 0.00 66.02 67.09 3hkz s SER 880 CO 0.00 -2.49 1.76 0.54 0.98 0.00 0.00 173.24 174.04 3hkz n ARG 881 N -3.45 0.63 -0.52 4.02 1.74 -1.26 -3.69 116.66 114.13 3hkz n ARG 881 Ca 0.16 -0.26 0.08 0.00 -0.77 0.00 0.00 57.85 57.06 3hkz n ARG 881 Cb 0.60 -1.49 0.28 0.00 -1.02 0.00 0.00 32.46 30.82 3hkz n ARG 881 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hkz n HIS 882 N -0.96 1.11 -1.86 -1.55 8.25 -1.26 -4.75 115.22 114.21 3hkz n HIS 882 Ca 0.13 -0.87 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 3hkz n HIS 882 Cb 0.30 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3hkz n HIS 882 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkz n GLY 883 N -0.37 0.87 3.38 -1.41 0.00 -1.24 -4.69 105.19 101.73 3hkz n GLY 883 Ca 0.23 -0.61 -0.45 0.00 0.00 0.00 0.00 46.02 45.18 3hkz n GLY 883 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hkz s GLN 884 N -3.78 3.55 0.71 1.61 2.00 -1.26 -4.95 119.66 117.54 3hkz s GLN 884 Ca 0.00 -2.07 -0.11 0.00 -2.00 0.00 0.00 55.36 51.18 3hkz s GLN 884 Cb 0.00 -4.62 0.02 0.00 0.80 0.00 0.00 33.01 29.21 3hkz s GLN 884 CO 0.00 -1.52 1.10 0.15 -0.50 0.00 0.00 175.29 174.53 3hkz s LYS 885 N 1.45 2.78 0.00 1.67 1.02 -1.26 -3.07 119.74 122.32 3hkz s LYS 885 Ca 0.23 0.42 0.00 0.00 0.02 0.00 0.00 55.97 56.65 3hkz s LYS 885 Cb -0.09 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 3hkz s LYS 885 CO -0.08 -1.08 0.00 0.41 -0.92 0.00 0.00 175.35 173.68 3hkz n GLY 886 N -3.03 4.34 3.84 -3.33 0.00 -1.13 -4.08 105.19 101.80 3hkz n GLY 886 Ca 0.07 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 45.07 3hkz n GLY 886 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 887 N -1.33 4.82 -0.46 1.61 1.01 -1.26 -1.68 120.40 123.10 3hkz s VAL 887 Ca 0.00 0.89 -0.29 0.00 0.00 0.00 0.00 61.98 62.59 3hkz s VAL 887 Cb 0.00 -3.75 -0.09 0.00 0.00 0.00 0.00 36.38 32.54 3hkz s VAL 887 CO 0.00 0.24 2.37 -0.38 0.00 0.00 0.00 175.10 177.33 3hkz n ILE 888 N 0.79 0.07 0.14 2.22 5.41 -0.57 -2.93 119.36 124.49 3hkz n ILE 888 Ca -0.05 -0.55 -0.11 0.00 1.00 0.00 0.00 62.75 63.04 3hkz n ILE 888 Cb 0.52 -2.30 -0.07 0.00 -0.71 0.00 0.00 39.64 37.08 3hkz n ILE 888 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hkz h GLY 889 N 16.54 -0.42 -5.17 7.39 0.00 0.25 -1.92 103.07 119.74 3hkz h GLY 889 Ca -0.26 0.16 -0.18 0.00 0.00 0.00 0.00 47.33 47.05 3hkz h GLY 889 CO 1.12 -0.15 -0.57 -0.29 0.00 0.00 0.00 176.54 176.65 3hkz s MET 890 N -3.81 0.27 -0.48 4.80 -2.45 -1.25 -4.83 119.30 111.56 3hkz s MET 890 Ca -0.12 -0.12 -0.19 0.00 -1.25 0.00 0.00 55.69 54.01 3hkz s MET 890 Cb 0.01 0.12 0.05 0.00 1.25 0.00 0.00 34.83 36.25 3hkz s MET 890 CO 0.43 -0.05 0.56 -1.17 1.05 0.00 0.00 175.02 175.84 3hkz s LEU 891 N -0.61 4.94 -0.20 4.11 2.96 -1.25 -2.34 118.68 126.29 3hkz s LEU 891 Ca -0.07 -0.82 0.00 0.00 -0.22 0.00 0.00 54.13 53.02 3hkz s LEU 891 Cb -0.04 -2.45 0.02 0.00 0.50 0.00 0.00 46.19 44.22 3hkz s LEU 891 CO 0.00 -0.79 -0.15 -0.63 -1.32 0.00 0.00 176.35 173.47 3hkz s ILE 892 N 2.45 2.39 0.79 6.68 1.01 -0.83 -4.49 121.20 129.20 3hkz s ILE 892 Ca 0.14 -0.95 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 3hkz s ILE 892 Cb -0.18 -2.09 0.07 0.00 0.01 0.00 0.00 42.46 40.27 3hkz s ILE 892 CO 0.13 0.42 1.09 -2.16 0.00 0.00 0.00 174.94 174.41 3hkz s PRO 893 N 1.30 2.08 0.63 2.79 0.04 -1.26 -1.56 135.00 139.02 3hkz s PRO 893 Ca 0.03 1.09 0.37 0.00 0.04 0.00 0.00 61.00 62.52 3hkz s PRO 893 Cb -0.14 -1.88 2.09 0.00 0.04 0.00 0.00 34.50 34.60 3hkz s PRO 893 CO -0.10 -1.74 2.29 0.37 0.04 0.00 0.00 177.00 177.86 3hkz h GLN 894 N -1.20 0.00 -0.06 4.56 4.15 -1.96 -1.56 115.11 119.04 3hkz h GLN 894 Ca -0.45 0.00 -0.22 0.00 0.77 0.00 0.00 58.65 58.75 3hkz h GLN 894 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.94 3hkz h GLN 894 CO 0.52 0.00 -0.86 -0.39 -1.93 0.00 0.00 178.83 176.17 3hkz h VAL 895 N 0.00 1.35 0.00 2.39 -1.51 -1.95 -3.32 116.25 113.20 3hkz h VAL 895 Ca 0.01 -2.22 -0.05 0.00 -1.23 0.00 0.00 66.70 63.21 3hkz h VAL 895 Cb 0.07 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 3hkz h VAL 895 CO -0.00 0.68 -0.82 0.44 -1.23 0.00 0.00 177.57 176.64 3hkz h ASP 896 N 0.34 0.00 -3.83 4.19 5.19 -1.56 -3.32 116.42 117.43 3hkz h ASP 896 Ca -0.07 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.78 3hkz h ASP 896 Cb 1.48 0.00 0.14 0.00 0.18 0.00 0.00 39.33 41.13 3hkz h ASP 896 CO 0.16 0.18 0.48 0.23 -3.12 0.00 0.00 179.24 177.17 3hkz n MET 897 N -2.88 1.56 -2.44 3.56 2.81 -1.13 -3.08 117.12 115.52 3hkz n MET 897 Ca -0.01 0.57 -0.43 0.00 -1.81 0.00 0.00 57.70 56.02 3hkz n MET 897 Cb 0.63 -2.45 -0.02 0.00 -0.71 0.00 0.00 33.22 30.67 3hkz n MET 897 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3hkz s PRO 898 N -2.74 3.79 0.01 0.03 0.04 -1.26 -2.91 135.00 131.96 3hkz s PRO 898 Ca 0.71 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 3hkz s PRO 898 Cb -0.44 -3.92 -0.05 0.00 0.04 0.00 0.00 34.50 30.13 3hkz s PRO 898 CO 0.50 -1.28 0.34 1.52 0.04 0.00 0.00 177.00 178.12 3hkz s TYR 899 N 4.67 3.64 0.64 0.56 -0.85 0.38 -4.51 117.35 121.87 3hkz s TYR 899 Ca 0.56 0.78 -0.11 0.00 -0.52 0.00 0.00 57.07 57.78 3hkz s TYR 899 Cb -0.14 -2.14 -0.02 0.00 0.38 0.00 0.00 41.96 40.04 3hkz s TYR 899 CO 0.27 0.62 1.04 0.95 -1.52 0.00 0.00 175.55 176.90 3hkz s THR 900 N -1.21 4.34 0.42 -3.49 -4.23 -0.55 0.21 115.64 111.12 3hkz s THR 900 Ca 0.26 0.72 0.38 0.00 -1.18 0.00 0.00 61.69 61.87 3hkz s THR 900 Cb -0.14 -3.75 0.56 0.00 1.34 0.00 0.00 72.50 70.51 3hkz s THR 900 CO 0.14 -0.97 1.19 0.55 -0.54 0.00 0.00 174.62 174.99 3hkz n VAL 901 N -2.80 -0.00 -3.25 2.29 3.14 -1.21 -2.83 118.33 113.66 3hkz n VAL 901 Ca 0.06 1.14 -0.25 0.00 -2.96 0.00 0.00 64.34 62.33 3hkz n VAL 901 Cb 0.55 -1.90 -0.07 0.00 -1.06 0.00 0.00 33.84 31.37 3hkz n VAL 901 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3hkz n LYS 902 N -3.48 2.04 0.00 1.45 0.00 -1.26 -4.94 118.16 111.96 3hkz n LYS 902 Ca 0.34 -4.21 0.00 0.00 0.00 0.00 0.00 58.31 54.44 3hkz n LYS 902 Cb 1.54 -1.93 0.00 0.00 0.00 0.00 0.00 35.03 34.64 3hkz n LYS 902 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3hkz n GLY 903 N 0.74 1.31 3.75 3.14 0.00 -1.13 -4.94 105.19 108.06 3hkz n GLY 903 Ca 0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.89 3hkz n GLY 903 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 904 N -1.62 4.01 0.09 1.61 1.01 -1.26 -4.89 120.40 119.36 3hkz s VAL 904 Ca 0.00 1.97 0.04 0.00 0.00 0.00 0.00 61.98 63.99 3hkz s VAL 904 Cb 0.00 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 3hkz s VAL 904 CO 0.00 0.44 -0.12 -0.69 0.00 0.00 0.00 175.10 174.74 3hkz s VAL 905 N -0.99 1.02 0.54 2.92 1.01 -1.26 -1.49 120.40 122.14 3hkz s VAL 905 Ca 0.43 -1.53 -0.15 0.00 0.00 0.00 0.00 61.98 60.72 3hkz s VAL 905 Cb -0.27 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.78 3hkz s VAL 905 CO 0.33 -0.44 0.99 -2.16 0.00 0.00 0.00 175.10 173.82 3hkz s PRO 906 N -2.43 3.86 -0.05 2.72 0.05 -1.26 -4.90 135.00 132.98 3hkz s PRO 906 Ca 0.03 0.89 0.19 0.00 0.05 0.00 0.00 61.00 62.16 3hkz s PRO 906 Cb -0.05 -2.13 -0.29 0.00 0.05 0.00 0.00 34.50 32.07 3hkz s PRO 906 CO 0.01 -0.34 0.37 -0.25 0.05 0.00 0.00 177.00 176.84 3hkz n ASP 907 N -1.87 0.49 -3.67 6.66 8.00 0.61 -4.60 116.55 122.17 3hkz n ASP 907 Ca 0.06 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.47 3hkz n ASP 907 Cb 0.54 1.75 -0.09 0.00 -0.02 0.00 0.00 41.12 43.29 3hkz n ASP 907 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hkz s ILE 908 N -3.22 -0.12 -0.40 0.53 1.01 -1.12 -2.61 121.20 115.27 3hkz s ILE 908 Ca -0.08 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.68 3hkz s ILE 908 Cb 0.11 -0.74 0.11 0.00 0.01 0.00 0.00 42.46 41.96 3hkz s ILE 908 CO 0.81 0.03 0.13 -0.63 0.00 0.00 0.00 174.94 175.27 3hkz s ILE 909 N 1.66 2.42 0.40 2.92 1.01 -0.89 -0.53 121.20 128.19 3hkz s ILE 909 Ca -0.09 -2.66 -0.25 0.00 0.00 0.00 0.00 60.65 57.64 3hkz s ILE 909 Cb -0.08 -2.75 -0.08 0.00 0.01 0.00 0.00 42.46 39.56 3hkz s ILE 909 CO -0.15 -0.67 1.19 -0.22 0.00 0.00 0.00 174.94 175.09 3hkz s LEU 910 N 0.51 4.21 -0.34 2.97 0.20 -1.16 -3.55 118.68 121.52 3hkz s LEU 910 Ca 0.13 2.40 -0.22 0.00 0.69 0.00 0.00 54.13 57.12 3hkz s LEU 910 Cb -0.21 -3.99 0.00 0.00 -0.43 0.00 0.00 46.19 41.56 3hkz s LEU 910 CO -0.05 -0.69 0.74 0.21 -0.29 0.00 0.00 176.35 176.27 3hkz s ASN 911 N -1.06 6.55 0.52 3.68 2.47 -1.26 -2.87 114.94 122.97 3hkz s ASN 911 Ca 0.57 0.39 0.10 0.00 0.42 0.00 0.00 52.86 54.33 3hkz s ASN 911 Cb -0.32 -2.38 0.52 0.00 -1.45 0.00 0.00 41.25 37.62 3hkz s ASN 911 CO 0.40 -0.66 1.22 -0.65 -3.72 0.00 0.00 177.10 173.69 3hkz h PRO 912 N 8.37 0.00 -0.10 0.43 0.11 -1.87 0.45 132.00 139.39 3hkz h PRO 912 Ca -0.25 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.75 3hkz h PRO 912 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3hkz h PRO 912 CO 0.88 0.00 -0.42 0.45 -0.21 0.00 0.00 178.00 178.70 3hkz h HIS 913 N 0.00 0.26 0.00 0.65 3.86 -1.94 -2.82 115.15 115.16 3hkz h HIS 913 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3hkz h HIS 913 Cb 1.30 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.71 3hkz h HIS 913 CO 0.00 0.61 0.00 0.00 0.86 0.00 0.00 177.93 179.40 3hkz n ALA 914 N -2.47 1.64 -1.00 2.45 0.00 0.16 -4.37 120.51 116.91 3hkz n ALA 914 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hkz n ALA 914 Cb 0.48 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3hkz n ALA 914 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 915 N -1.86 1.81 -0.19 0.00 4.32 -1.06 -3.97 117.00 116.05 3hkz n LEU 915 Ca 0.03 0.17 0.10 0.00 -0.02 0.00 0.00 56.01 56.28 3hkz n LEU 915 Cb 0.19 0.00 0.40 0.00 -1.62 0.00 0.00 43.42 42.39 3hkz n LEU 915 CO 0.16 0.00 1.21 1.55 -1.22 0.00 0.00 177.39 179.09 3hkz h PRO 916 N 0.00 0.63 -0.28 3.23 0.13 -1.77 -0.20 132.00 133.75 3hkz h PRO 916 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 3hkz h PRO 916 Cb 0.00 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 30.97 3hkz h PRO 916 CO 0.00 0.42 0.18 0.66 -0.23 0.00 0.00 178.00 179.03 3hkz h SER 917 N 0.65 0.32 -0.25 1.44 4.64 -1.81 -2.21 113.55 116.32 3hkz h SER 917 Ca 0.36 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hkz h SER 917 Cb 0.51 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3hkz h SER 917 CO -0.13 0.23 0.00 0.54 -0.87 0.00 0.00 176.83 176.60 3hkz n ARG 918 N -4.49 2.10 -3.39 4.77 5.12 -0.12 -5.00 116.66 115.64 3hkz n ARG 918 Ca 0.01 -1.96 -0.14 0.00 -1.93 0.00 0.00 57.85 53.83 3hkz n ARG 918 Cb 0.07 -1.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3hkz n ARG 918 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 3hkz n MET 919 N 1.13 -0.67 -3.86 5.56 2.81 -0.83 -4.43 117.12 116.84 3hkz n MET 919 Ca 0.15 0.07 -0.29 0.00 -1.81 0.00 0.00 57.70 55.81 3hkz n MET 919 Cb 0.51 -0.73 -0.13 0.00 -0.71 0.00 0.00 33.22 32.15 3hkz n MET 919 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 3hkz s THR 920 N -3.22 2.25 0.00 2.03 -4.23 -1.26 -0.79 115.64 110.42 3hkz s THR 920 Ca 0.09 -3.26 0.00 0.00 -1.18 0.00 0.00 61.69 57.33 3hkz s THR 920 Cb -0.05 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.24 3hkz s THR 920 CO 0.39 -0.87 0.00 0.18 -0.54 0.00 0.00 174.62 173.78 3hkz n LEU 921 N 3.02 0.00 0.00 4.79 7.99 -0.91 -4.14 117.00 127.75 3hkz n LEU 921 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.09 3hkz n LEU 921 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 3hkz n LEU 921 CO 0.29 -0.51 0.00 0.61 -1.51 0.00 0.00 177.39 176.28 3hkz n GLY 922 N 1.26 1.35 0.12 -0.72 0.00 -1.26 -4.29 105.19 101.65 3hkz n GLY 922 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3hkz n GLY 922 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3hkz h GLN 923 N 0.54 0.31 -0.46 1.61 4.15 -1.90 1.16 115.11 120.52 3hkz h GLN 923 Ca 0.00 -0.53 -0.05 0.00 0.77 0.00 0.00 58.65 58.84 3hkz h GLN 923 Cb 0.00 0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3hkz h GLN 923 CO 0.00 1.20 0.10 0.82 -1.93 0.00 0.00 178.83 179.02 3hkz h ILE 924 N 0.09 1.24 -0.23 2.39 1.08 -1.81 -2.29 117.51 117.97 3hkz h ILE 924 Ca -0.25 -0.85 -0.06 0.00 -0.39 0.00 0.00 64.86 63.31 3hkz h ILE 924 Cb 2.04 0.91 -0.01 0.00 -3.07 0.00 0.00 36.82 36.69 3hkz h ILE 924 CO 0.18 0.30 -0.08 0.24 -0.69 0.00 0.00 178.15 178.11 3hkz h MET 925 N 0.63 0.46 -0.94 2.37 2.86 -1.84 -1.37 114.93 117.08 3hkz h MET 925 Ca 0.14 -0.19 0.12 0.00 -2.06 0.00 0.00 59.70 57.72 3hkz h MET 925 Cb 0.35 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.91 3hkz h MET 925 CO 0.00 0.71 0.60 1.49 1.06 0.00 0.00 176.91 180.77 3hkz h GLU 926 N 0.19 0.87 -0.00 1.72 4.81 0.14 0.35 114.58 122.65 3hkz h GLU 926 Ca 0.06 -0.05 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 3hkz h GLU 926 Cb 0.55 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.75 3hkz h GLU 926 CO 0.03 0.57 -1.01 0.78 -0.73 0.00 0.00 179.01 178.65 3hkz h GLY 927 N 0.89 0.68 0.71 1.92 0.00 -1.17 0.37 103.07 106.47 3hkz h GLY 927 Ca 0.46 -1.19 -0.01 0.00 0.00 0.00 0.00 47.33 46.59 3hkz h GLY 927 CO -0.22 1.05 -0.01 -2.22 0.00 0.00 0.00 176.54 175.14 3hkz h ILE 928 N 0.35 1.27 -0.58 2.60 2.04 -0.96 0.19 117.51 122.42 3hkz h ILE 928 Ca -0.11 -0.86 0.12 0.00 1.00 0.00 0.00 64.86 65.01 3hkz h ILE 928 Cb 1.65 1.71 -0.10 0.00 -0.74 0.00 0.00 36.82 39.34 3hkz h ILE 928 CO 0.19 0.24 -0.03 0.00 0.00 0.00 0.00 178.15 178.55 3hkz h ALA 929 N 0.69 0.53 -0.20 1.87 0.00 -0.27 0.13 119.26 122.01 3hkz h ALA 929 Ca 0.02 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.17 3hkz h ALA 929 Cb 0.38 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3hkz h ALA 929 CO 0.01 -0.40 0.25 0.78 0.00 0.00 0.00 179.25 179.88 3hkz h GLY 930 N 0.09 0.00 0.21 0.00 0.00 -0.02 -2.92 103.07 100.44 3hkz h GLY 930 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.62 3hkz h GLY 930 CO -0.51 0.00 -0.10 1.70 0.00 0.00 0.00 176.54 177.62 3hkz h LYS 931 N 0.00 -0.28 -5.41 4.80 1.63 -0.26 -2.96 116.57 114.09 3hkz h LYS 931 Ca 0.10 0.02 -0.26 0.00 -0.85 0.00 0.00 60.65 59.65 3hkz h LYS 931 Cb 0.59 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.25 3hkz h LYS 931 CO -0.00 -0.18 0.82 -0.47 -3.45 0.00 0.00 179.45 176.17 3hkz s TYR 932 N -2.49 1.78 0.00 1.91 5.04 -1.07 -1.82 117.35 120.70 3hkz s TYR 932 Ca -0.04 0.88 0.00 0.00 -2.44 0.00 0.00 57.07 55.47 3hkz s TYR 932 Cb 0.00 -3.86 0.00 0.00 0.35 0.00 0.00 41.96 38.46 3hkz s TYR 932 CO 0.13 -1.14 0.00 0.00 -1.34 0.00 0.00 175.55 173.19 3hkz n ALA 933 N 15.51 0.00 0.82 3.97 0.00 -1.24 -4.60 120.51 134.97 3hkz n ALA 933 Ca 0.44 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.99 3hkz n ALA 933 Cb 0.47 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.00 3hkz n ALA 933 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkz n ALA 934 N 0.00 3.71 -0.10 0.00 0.00 -0.88 -3.15 120.51 120.08 3hkz n ALA 934 Ca 0.00 -0.42 -0.24 0.00 0.00 0.00 0.00 53.44 52.79 3hkz n ALA 934 Cb 0.00 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.34 3hkz n ALA 934 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hkz n LEU 935 N -1.70 2.27 0.04 0.00 4.77 -0.76 -4.63 117.00 117.00 3hkz n LEU 935 Ca 0.04 0.23 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 3hkz n LEU 935 Cb 0.38 -0.93 -0.13 0.00 -2.33 0.00 0.00 43.42 40.41 3hkz n LEU 935 CO 0.39 0.63 -0.10 0.77 -1.33 0.00 0.00 177.39 177.74 3hkz h SER 936 N -0.60 0.06 0.00 -1.43 4.64 -1.80 -3.49 113.55 110.94 3hkz h SER 936 Ca -0.54 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.70 3hkz h SER 936 Cb 1.67 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 3hkz h SER 936 CO -0.21 1.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 3hkz n GLY 937 N 1.45 2.46 3.84 -0.77 0.00 -1.19 -5.01 105.19 105.98 3hkz n GLY 937 Ca -0.07 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 3hkz n GLY 937 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hkz s ASN 938 N 0.17 6.84 -0.45 1.61 4.22 -1.26 -4.95 114.94 121.11 3hkz s ASN 938 Ca 0.00 1.45 -0.22 0.00 -2.14 0.00 0.00 52.86 51.95 3hkz s ASN 938 Cb 0.00 -2.44 0.03 0.00 1.28 0.00 0.00 41.25 40.12 3hkz s ASN 938 CO 0.00 -0.27 0.71 -0.63 -2.04 0.00 0.00 177.10 174.87 3hkz s ILE 939 N -2.07 4.74 0.22 0.54 1.09 -1.26 -4.45 121.20 120.00 3hkz s ILE 939 Ca 0.57 0.21 -0.31 0.00 -1.10 0.00 0.00 60.65 60.02 3hkz s ILE 939 Cb -0.10 -4.28 -0.11 0.00 -1.06 0.00 0.00 42.46 36.92 3hkz s ILE 939 CO 0.16 -0.69 1.58 0.54 -0.10 0.00 0.00 174.94 176.43 3hkz s VAL 940 N 3.06 2.38 0.22 2.92 0.11 -1.26 -4.87 120.40 122.96 3hkz s VAL 940 Ca 0.25 0.29 -0.15 0.00 -2.93 0.00 0.00 61.98 59.44 3hkz s VAL 940 Cb -0.14 -3.19 -0.08 0.00 -1.53 0.00 0.00 36.38 31.45 3hkz s VAL 940 CO 0.20 0.03 0.64 -0.62 -3.33 0.00 0.00 175.10 172.02 3hkz s ASP 941 N 0.84 6.86 -0.22 3.54 -1.08 -1.26 -2.67 116.67 122.68 3hkz s ASP 941 Ca 0.67 1.20 -0.02 0.00 -0.52 0.00 0.00 52.55 53.87 3hkz s ASP 941 Cb -0.45 -2.33 0.07 0.00 -1.46 0.00 0.00 42.92 38.74 3hkz s ASP 941 CO 0.38 -0.00 0.05 0.00 0.52 0.00 0.00 175.17 176.11 3hkz s ALA 942 N -1.63 1.09 0.17 3.66 0.00 0.19 -4.10 121.76 121.14 3hkz s ALA 942 Ca 0.44 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.60 3hkz s ALA 942 Cb -0.14 -1.26 -0.04 0.00 0.00 0.00 0.00 23.12 21.68 3hkz s ALA 942 CO 0.20 -1.26 -0.13 0.99 0.00 0.00 0.00 175.76 175.55 3hkz s THR 943 N 1.82 1.49 0.00 0.00 2.01 -1.26 -3.94 115.64 115.76 3hkz s THR 943 Ca 0.01 -2.06 0.00 0.00 0.31 0.00 0.00 61.69 59.95 3hkz s THR 943 Cb -0.17 -1.88 0.00 0.00 0.01 0.00 0.00 72.50 70.46 3hkz s THR 943 CO -0.11 -0.59 0.11 -2.65 -0.69 0.00 0.00 174.62 170.68 3hkz n PRO 944 N -0.12 0.07 0.00 4.92 -0.02 -1.26 -1.47 135.00 137.12 3hkz n PRO 944 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 3hkz n PRO 944 Cb 0.60 -1.46 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3hkz n PRO 944 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3hkz n PHE 945 N 1.38 0.00 0.00 6.00 3.01 -1.26 -4.75 117.46 121.83 3hkz n PHE 945 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3hkz n PHE 945 Cb 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.51 3hkz n PHE 945 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 3hkz n TYR 946 N 0.00 0.00 -0.12 1.38 9.36 -0.54 -5.03 117.16 122.20 3hkz n TYR 946 Ca 0.00 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 60.99 3hkz n TYR 946 Cb 0.00 -0.27 -0.08 0.00 -0.63 0.00 0.00 39.34 38.37 3hkz n TYR 946 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3hkz n LYS 947 N -0.25 0.56 -3.23 2.98 4.81 -1.26 -4.87 118.16 116.90 3hkz n LYS 947 Ca 0.00 0.24 -0.02 0.00 -0.87 0.00 0.00 58.31 57.66 3hkz n LYS 947 Cb 0.00 -1.46 -0.02 0.00 0.02 0.00 0.00 35.03 33.57 3hkz n LYS 947 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3hkz s THR 948 N -2.64 -0.87 0.09 3.15 2.01 -1.26 -5.07 115.64 111.05 3hkz s THR 948 Ca -0.35 -0.18 -0.36 0.00 0.31 0.00 0.00 61.69 61.11 3hkz s THR 948 Cb 0.11 -0.32 -0.18 0.00 0.01 0.00 0.00 72.50 72.12 3hkz s THR 948 CO 0.46 -0.11 1.05 -0.81 -0.69 0.00 0.00 174.62 174.52 3hkz n PRO 949 N 4.60 0.48 -0.23 4.92 -0.04 -1.26 -4.49 135.00 138.97 3hkz n PRO 949 Ca 0.09 0.17 -0.03 0.00 -0.04 0.00 0.00 63.50 63.69 3hkz n PRO 949 Cb 0.54 -1.61 -0.01 0.00 -0.04 0.00 0.00 33.50 32.38 3hkz n PRO 949 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3hkz n ILE 950 N 1.42 -0.35 -0.33 0.52 -5.35 -1.26 0.08 119.36 114.09 3hkz n ILE 950 Ca 0.18 1.39 0.28 0.00 -0.27 0.00 0.00 62.75 64.33 3hkz n ILE 950 Cb 0.17 -1.78 0.43 0.00 -1.74 0.00 0.00 39.64 36.72 3hkz n ILE 950 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3hkz n GLU 951 N -4.81 0.00 -0.01 6.28 -0.58 -1.26 0.24 120.64 120.50 3hkz n GLU 951 Ca 0.04 0.70 -0.21 0.00 -0.42 0.00 0.00 57.16 57.27 3hkz n GLU 951 Cb 0.20 -1.68 -0.14 0.00 -0.57 0.00 0.00 31.44 29.25 3hkz n GLU 951 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hkz n GLN 952 N -2.97 0.74 -0.16 3.49 6.02 0.11 -3.47 117.38 121.15 3hkz n GLN 952 Ca 0.23 0.29 -0.08 0.00 -0.01 0.00 0.00 57.00 57.43 3hkz n GLN 952 Cb 1.20 -1.70 0.01 0.00 1.02 0.00 0.00 30.24 30.77 3hkz n GLN 952 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hkz h LEU 953 N -0.05 0.59 -0.93 1.08 3.38 -0.34 -2.38 115.31 116.66 3hkz h LEU 953 Ca -0.43 -0.10 0.21 0.00 0.09 0.00 0.00 57.88 57.66 3hkz h LEU 953 Cb 1.95 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 42.43 3hkz h LEU 953 CO 0.05 0.53 0.48 1.56 0.09 0.00 0.00 178.44 181.14 3hkz h GLN 954 N 0.61 0.50 -0.84 1.13 4.20 -1.44 0.17 115.11 119.44 3hkz h GLN 954 Ca 0.16 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.81 3hkz h GLN 954 Cb 0.07 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.70 3hkz h GLN 954 CO -0.02 0.33 0.39 -0.91 -0.67 0.00 0.00 178.83 177.95 3hkz h ASN 955 N 0.52 1.12 -0.13 1.46 2.35 -1.46 -2.43 115.58 117.01 3hkz h ASN 955 Ca 0.57 -0.14 -0.21 0.00 -0.55 0.00 0.00 56.30 55.97 3hkz h ASN 955 Cb 1.04 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 39.13 3hkz h ASN 955 CO -0.48 0.95 -0.71 -0.33 -1.65 0.00 0.00 177.43 175.22 3hkz h GLU 956 N 1.21 0.76 0.00 0.81 4.39 -0.54 -2.65 114.58 118.55 3hkz h GLU 956 Ca 0.29 -0.58 -0.00 0.00 0.34 0.00 0.00 59.36 59.41 3hkz h GLU 956 Cb 0.14 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.90 3hkz h GLU 956 CO -0.03 1.19 -0.01 -0.84 -1.16 0.00 0.00 179.01 178.16 3hkz h ILE 957 N 0.54 0.05 -0.02 3.13 3.07 -1.09 0.47 117.51 123.66 3hkz h ILE 957 Ca -0.03 -0.31 -0.01 0.00 1.55 0.00 0.00 64.86 66.06 3hkz h ILE 957 Cb 1.32 1.29 -0.00 0.00 -0.27 0.00 0.00 36.82 39.16 3hkz h ILE 957 CO 0.15 0.01 -0.02 0.25 -1.05 0.00 0.00 178.15 177.49 3hkz h LEU 958 N 0.00 0.05 -0.87 0.16 6.46 -1.13 0.98 115.31 120.96 3hkz h LEU 958 Ca -0.00 -0.46 -0.03 0.00 -0.12 0.00 0.00 57.88 57.26 3hkz h LEU 958 Cb 0.29 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.17 3hkz h LEU 958 CO 0.00 0.50 0.41 0.03 -0.62 0.00 0.00 178.44 178.77 3hkz h ARG 959 N -0.41 1.23 0.00 1.25 -0.00 -0.95 -2.84 114.38 112.67 3hkz h ARG 959 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.98 59.30 3hkz h ARG 959 Cb 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 30.23 3hkz h ARG 959 CO 0.00 0.94 0.00 0.66 0.00 0.00 0.00 179.97 181.57 3hkz n TYR 960 N -4.30 0.61 0.00 3.04 4.02 0.15 -4.85 117.16 115.83 3hkz n TYR 960 Ca 0.09 0.25 0.00 0.00 -0.01 0.00 0.00 57.90 58.23 3hkz n TYR 960 Cb 0.14 -0.91 0.00 0.00 -0.02 0.00 0.00 39.34 38.55 3hkz n TYR 960 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hkz n GLY 961 N -0.25 1.89 3.12 2.72 0.00 -1.03 -5.05 105.19 106.60 3hkz n GLY 961 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3hkz n GLY 961 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 962 N -2.00 0.16 0.27 1.61 1.51 0.31 -5.03 117.35 114.17 3hkz s TYR 962 Ca 0.00 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.34 3hkz s TYR 962 Cb 0.00 -0.11 -0.11 0.00 -0.11 0.00 0.00 41.96 41.63 3hkz s TYR 962 CO 0.00 -0.36 1.58 -0.51 -1.11 0.00 0.00 175.55 175.14 3hkz s LEU 963 N -2.01 4.36 0.39 -1.29 1.43 -1.26 -3.08 118.68 117.21 3hkz s LEU 963 Ca -0.06 2.86 0.19 0.00 -1.03 0.00 0.00 54.13 56.08 3hkz s LEU 963 Cb -0.02 -3.63 1.12 0.00 0.03 0.00 0.00 46.19 43.69 3hkz s LEU 963 CO -0.04 -0.87 1.74 -0.65 0.23 0.00 0.00 176.35 176.76 3hkz h PRO 964 N 5.24 0.36 -1.42 1.29 0.11 -1.88 0.36 132.00 136.05 3hkz h PRO 964 Ca -0.46 -0.02 -0.71 0.00 0.11 0.00 0.00 66.00 64.92 3hkz h PRO 964 Cb 1.22 -0.08 -0.29 0.00 0.11 0.00 0.00 31.00 31.96 3hkz h PRO 964 CO 0.82 0.24 0.89 -0.25 -0.21 0.00 0.00 178.00 179.48 3hkz n ASP 965 N -4.69 7.52 0.00 -2.05 10.43 -1.26 -4.66 116.55 121.84 3hkz n ASP 965 Ca 0.27 -3.81 0.00 0.00 2.57 0.00 0.00 54.79 53.83 3hkz n ASP 965 Cb 0.94 -0.99 0.00 0.00 1.84 0.00 0.00 41.12 42.91 3hkz n ASP 965 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hkz n ALA 966 N -0.75 0.00 -1.77 2.24 0.00 0.13 -4.88 120.51 115.49 3hkz n ALA 966 Ca 0.58 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.66 3hkz n ALA 966 Cb 0.49 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.50 3hkz n ALA 966 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3hkz s THR 967 N -0.37 2.93 -0.02 0.00 -4.23 -1.26 -1.70 115.64 110.99 3hkz s THR 967 Ca 0.00 0.64 -0.04 0.00 -1.18 0.00 0.00 61.69 61.12 3hkz s THR 967 Cb 0.00 -3.30 0.00 0.00 1.34 0.00 0.00 72.50 70.54 3hkz s THR 967 CO 0.00 -0.06 0.09 -1.61 -0.54 0.00 0.00 174.62 172.50 3hkz s GLU 968 N -2.97 0.22 -0.11 3.99 2.02 0.12 -4.17 118.70 117.80 3hkz s GLU 968 Ca 0.69 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 55.30 3hkz s GLU 968 Cb -0.29 0.09 -0.02 0.00 0.10 0.00 0.00 34.13 34.02 3hkz s GLU 968 CO 0.34 -0.04 1.16 0.54 0.02 0.00 0.00 175.26 177.28 3hkz s VAL 969 N -0.47 4.40 0.28 2.63 0.11 -1.26 -1.97 120.40 124.12 3hkz s VAL 969 Ca -0.05 1.71 0.10 0.00 -2.93 0.00 0.00 61.98 60.81 3hkz s VAL 969 Cb -0.04 -4.10 -0.05 0.00 -1.53 0.00 0.00 36.38 30.66 3hkz s VAL 969 CO 0.00 -0.05 -0.16 0.68 -3.33 0.00 0.00 175.10 172.24 3hkz s VAL 970 N 2.61 2.22 -0.17 2.04 -7.23 -1.26 -3.35 120.40 115.27 3hkz s VAL 970 Ca 0.53 -2.31 -0.02 0.00 -1.81 0.00 0.00 61.98 58.37 3hkz s VAL 970 Cb -0.22 -2.32 -0.01 0.00 0.56 0.00 0.00 36.38 34.40 3hkz s VAL 970 CO 0.18 -0.40 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.16 3hkz s TYR 971 N -2.66 2.89 -1.10 2.82 1.51 0.55 -2.41 117.35 118.95 3hkz s TYR 971 Ca 0.29 -0.78 -0.25 0.00 -1.01 0.00 0.00 57.07 55.32 3hkz s TYR 971 Cb -0.02 -1.96 -0.17 0.00 -0.11 0.00 0.00 41.96 39.70 3hkz s TYR 971 CO 0.13 -0.36 2.01 -3.47 -1.11 0.00 0.00 175.55 172.75 3hkz n ASP 972 N 4.07 2.21 -0.42 2.29 4.64 -0.52 -0.47 116.55 128.34 3hkz n ASP 972 Ca -0.18 -2.60 0.40 0.00 -1.38 0.00 0.00 54.79 51.03 3hkz n ASP 972 Cb 0.52 -1.69 0.74 0.00 -1.04 0.00 0.00 41.12 39.65 3hkz n ASP 972 CO 0.00 0.00 0.00 1.23 -0.82 0.00 0.00 177.20 177.61 3hkz h GLY 973 N 19.91 0.00 1.74 0.27 0.00 -1.66 1.19 103.07 124.52 3hkz h GLY 973 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3hkz h GLY 973 CO 1.17 0.00 0.00 -0.96 0.00 0.00 0.00 176.54 176.75 3hkz n ARG 974 N -3.94 0.11 0.00 4.80 1.85 -1.18 -4.00 116.66 114.30 3hkz n ARG 974 Ca 0.31 0.22 0.00 0.00 -1.00 0.00 0.00 57.85 57.38 3hkz n ARG 974 Cb 1.53 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 31.44 3hkz n ARG 974 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 3hkz n THR 975 N -1.37 0.00 0.00 8.89 5.66 0.39 -5.06 114.28 122.79 3hkz n THR 975 Ca 0.05 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 3hkz n THR 975 Cb 0.12 -0.34 0.00 0.00 -1.55 0.00 0.00 70.33 68.55 3hkz n THR 975 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hkz n GLY 976 N 1.79 2.56 3.77 1.09 0.00 0.05 -5.06 105.19 109.40 3hkz n GLY 976 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3hkz n GLY 976 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hkz s GLN 977 N -0.34 2.91 0.26 1.61 -2.07 -1.26 -4.72 119.66 116.05 3hkz s GLN 977 Ca 0.00 1.50 -0.21 0.00 -1.82 0.00 0.00 55.36 54.84 3hkz s GLN 977 Cb 0.00 -1.96 -0.09 0.00 -1.09 0.00 0.00 33.01 29.88 3hkz s GLN 977 CO 0.00 -1.18 0.78 -1.59 -1.32 0.00 0.00 175.29 171.98 3hkz s LYS 978 N -3.81 4.30 1.42 9.60 -2.85 -1.26 -1.44 119.74 125.70 3hkz s LYS 978 Ca 0.70 0.96 -0.23 0.00 -1.00 0.00 0.00 55.97 56.39 3hkz s LYS 978 Cb -0.23 -2.79 0.37 0.00 -2.06 0.00 0.00 37.83 33.12 3hkz s LYS 978 CO 0.37 0.33 0.94 0.96 0.10 0.00 0.00 175.35 178.05 3hkz s ILE 979 N -1.62 1.18 -0.12 3.79 -5.25 -1.01 -4.86 121.20 113.31 3hkz s ILE 979 Ca 0.46 0.00 0.14 0.00 -0.99 0.00 0.00 60.65 60.27 3hkz s ILE 979 Cb -0.16 -2.11 -0.21 0.00 2.95 0.00 0.00 42.46 42.92 3hkz s ILE 979 CO 0.21 0.00 0.35 1.17 -1.79 0.00 0.00 174.94 174.88 3hkz n LYS 980 N -5.61 0.74 -0.91 0.37 4.81 -1.26 -4.79 118.16 111.51 3hkz n LYS 980 Ca 0.14 -0.11 0.04 0.00 -0.87 0.00 0.00 58.31 57.51 3hkz n LYS 980 Cb 0.60 -1.31 0.07 0.00 0.02 0.00 0.00 35.03 34.41 3hkz n LYS 980 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 3hkz n SER 981 N -1.89 1.04 -1.13 3.14 7.64 -1.26 -5.13 113.62 116.03 3hkz n SER 981 Ca -0.02 -2.50 0.11 0.00 1.01 0.00 0.00 58.87 57.47 3hkz n SER 981 Cb 0.35 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.18 3hkz n SER 981 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3hkz n ARG 982 N -0.17 -1.63 -3.64 1.43 3.00 -1.26 -5.00 116.66 109.39 3hkz n ARG 982 Ca 0.08 1.08 -0.08 0.00 -0.01 0.00 0.00 57.85 58.92 3hkz n ARG 982 Cb 0.89 -1.99 -0.07 0.00 0.00 0.00 0.00 32.46 31.29 3hkz n ARG 982 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3hkz s ILE 983 N -1.32 0.00 0.09 0.55 -1.09 -0.83 -4.92 121.20 113.68 3hkz s ILE 983 Ca 0.00 0.00 -0.31 0.00 -2.23 0.00 0.00 60.65 58.11 3hkz s ILE 983 Cb 0.00 -1.00 -0.09 0.00 -1.58 0.00 0.00 42.46 39.79 3hkz s ILE 983 CO 0.00 0.00 1.70 -0.47 -1.23 0.00 0.00 174.94 174.94 3hkz s TYR 984 N 1.23 2.40 -0.51 3.97 6.14 -1.25 0.14 117.35 129.46 3hkz s TYR 984 Ca -0.07 0.25 0.07 0.00 0.64 0.00 0.00 57.07 57.96 3hkz s TYR 984 Cb -0.05 -4.02 0.29 0.00 0.42 0.00 0.00 41.96 38.60 3hkz s TYR 984 CO -0.14 -4.11 0.72 1.19 0.64 0.00 0.00 175.55 173.85 3hkz n PHE 985 N 5.49 2.01 -2.02 4.97 3.01 -0.69 -1.69 117.46 128.54 3hkz n PHE 985 Ca 0.16 -3.90 -0.29 0.00 1.01 0.00 0.00 57.45 54.44 3hkz n PHE 985 Cb 0.40 -0.46 0.17 0.00 -0.01 0.00 0.00 39.48 39.57 3hkz n PHE 985 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3hkz s GLY 986 N -2.31 1.76 -0.20 1.37 0.00 -0.32 -4.88 107.32 102.74 3hkz s GLY 986 Ca 0.40 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3hkz s GLY 986 CO -0.08 -0.51 -0.09 0.14 0.00 0.00 0.00 173.10 172.57 3hkz s VAL 987 N -3.76 1.55 0.05 1.40 1.01 0.61 -0.76 120.40 120.50 3hkz s VAL 987 Ca 0.72 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 61.79 3hkz s VAL 987 Cb -0.05 -1.66 -0.03 0.00 0.00 0.00 0.00 36.38 34.64 3hkz s VAL 987 CO 0.51 0.13 -0.21 -0.69 0.00 0.00 0.00 175.10 174.84 3hkz s VAL 988 N 1.43 1.67 -0.10 2.92 1.01 -0.41 -3.64 120.40 123.28 3hkz s VAL 988 Ca -0.02 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.41 3hkz s VAL 988 Cb -0.16 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 3hkz s VAL 988 CO -0.08 0.16 1.28 -0.47 0.00 0.00 0.00 175.10 176.00 3hkz s TYR 989 N -0.86 2.91 -0.11 5.22 5.04 -1.26 0.03 117.35 128.32 3hkz s TYR 989 Ca 0.07 1.00 0.02 0.00 -2.44 0.00 0.00 57.07 55.73 3hkz s TYR 989 Cb -0.09 -3.52 0.01 0.00 0.35 0.00 0.00 41.96 38.71 3hkz s TYR 989 CO 0.02 -1.80 -0.18 0.71 -1.34 0.00 0.00 175.55 172.96 3hkz s TYR 990 N 2.96 2.17 0.03 4.97 2.02 -0.40 -4.17 117.35 124.93 3hkz s TYR 990 Ca 0.57 -1.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.26 3hkz s TYR 990 Cb -0.25 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3hkz s TYR 990 CO 0.19 -0.48 0.20 1.14 -1.57 0.00 0.00 175.55 175.03 3hkz s GLN 991 N 0.81 3.43 -0.23 -0.62 -2.07 0.74 -2.48 119.66 119.24 3hkz s GLN 991 Ca -0.10 -0.39 -0.10 0.00 -1.82 0.00 0.00 55.36 52.96 3hkz s GLN 991 Cb -0.16 -3.06 -0.05 0.00 -1.09 0.00 0.00 33.01 28.65 3hkz s GLN 991 CO 0.01 0.64 0.13 0.21 -1.32 0.00 0.00 175.29 174.96 3hkz s LYS 992 N -2.23 3.99 0.89 9.60 2.36 -1.24 -1.56 119.74 131.55 3hkz s LYS 992 Ca 0.31 -0.31 -0.12 0.00 -2.55 0.00 0.00 55.97 53.30 3hkz s LYS 992 Cb -0.13 -3.47 0.17 0.00 -1.05 0.00 0.00 37.83 33.36 3hkz s LYS 992 CO 0.23 0.05 1.23 -0.51 1.55 0.00 0.00 175.35 177.91 3hkz s LEU 993 N 1.06 2.75 -0.10 5.43 1.02 -1.04 -1.15 118.68 126.66 3hkz s LEU 993 Ca 0.06 0.20 0.13 0.00 0.02 0.00 0.00 54.13 54.54 3hkz s LEU 993 Cb -0.14 -2.36 0.55 0.00 0.02 0.00 0.00 46.19 44.26 3hkz s LEU 993 CO 0.04 -2.45 1.41 0.00 0.02 0.00 0.00 176.35 175.38 3hkz n HIS 994 N -3.51 1.18 -2.20 0.29 1.44 -0.97 -4.48 115.22 106.97 3hkz n HIS 994 Ca 0.14 -0.46 -0.40 0.00 -2.01 0.00 0.00 57.72 55.00 3hkz n HIS 994 Cb 0.60 -0.23 0.02 0.00 0.12 0.00 0.00 29.99 30.50 3hkz n HIS 994 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 3hkz n HIS 995 N 0.74 2.79 -2.09 -1.40 8.25 -1.26 -5.01 115.22 117.24 3hkz n HIS 995 Ca 0.19 -2.43 -0.32 0.00 -0.26 0.00 0.00 57.72 54.91 3hkz n HIS 995 Cb 0.73 -1.24 -0.00 0.00 1.12 0.00 0.00 29.99 30.60 3hkz n HIS 995 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 3hkz s MET 996 N -3.89 3.56 -0.00 -0.41 -1.94 -1.26 -2.48 119.30 112.89 3hkz s MET 996 Ca 0.47 0.99 -0.20 0.00 -1.71 0.00 0.00 55.69 55.24 3hkz s MET 996 Cb 0.32 -2.08 -0.25 0.00 2.01 0.00 0.00 34.83 34.83 3hkz s MET 996 CO -0.27 -0.59 1.07 -0.24 -0.01 0.00 0.00 175.02 174.97 3hkz h VAL 997 N 0.33 1.44 -0.10 -6.03 3.04 -1.91 -3.26 116.25 109.76 3hkz h VAL 997 Ca -0.46 -2.17 0.03 0.00 -1.01 0.00 0.00 66.70 63.09 3hkz h VAL 997 Cb 1.20 2.70 -0.00 0.00 -2.01 0.00 0.00 31.29 33.17 3hkz h VAL 997 CO 0.60 0.63 0.13 0.00 -1.01 0.00 0.00 177.57 177.92 3hkz h ALA 998 N 0.28 1.62 0.00 3.17 0.00 -1.95 0.34 119.26 122.72 3hkz h ALA 998 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hkz h ALA 998 Cb 1.39 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3hkz h ALA 998 CO 0.13 -0.18 0.00 -0.44 0.00 0.00 0.00 179.25 178.76 3hkz h ASP 999 N 0.00 0.00 -4.61 0.00 3.45 -1.98 -3.43 116.42 109.86 3hkz h ASP 999 Ca 0.05 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.18 3hkz h ASP 999 Cb 0.31 0.00 -0.22 0.00 -0.56 0.00 0.00 39.33 38.86 3hkz h ASP 999 CO -0.00 0.00 -0.75 -1.59 -1.57 0.00 0.00 179.24 175.33 3hkz s LYS 1000N -3.63 0.63 0.00 3.56 -2.85 0.12 -5.12 119.74 112.45 3hkz s LYS 1000Ca -0.02 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.17 3hkz s LYS 1000Cb 0.08 -0.49 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 3hkz s LYS 1000CO 0.28 0.10 0.00 -0.11 0.10 0.00 0.00 175.35 175.73 3hkz n LEU 1001N 1.52 0.00 -3.78 2.77 7.94 -1.26 -4.90 117.00 119.29 3hkz n LEU 1001Ca -0.21 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.39 3hkz n LEU 1001Cb 0.55 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.36 3hkz n LEU 1001CO 0.21 0.00 -0.28 -1.00 -1.11 0.00 0.00 177.39 175.21 3hkz s HIS 1002N -1.51 2.23 -0.30 1.96 3.76 -1.26 -4.87 115.29 115.29 3hkz s HIS 1002Ca 0.00 -2.34 -0.03 0.00 -0.15 0.00 0.00 55.06 52.54 3hkz s HIS 1002Cb 0.00 -2.05 0.04 0.00 1.11 0.00 0.00 32.58 31.69 3hkz s HIS 1002CO 0.00 -0.83 2.66 0.00 -0.85 0.00 0.00 174.74 175.71 3hkz n ALA 1003N 4.04 5.89 -4.05 -1.40 0.00 -1.26 -4.85 120.51 118.88 3hkz n ALA 1003Ca 0.04 -2.23 -0.32 0.00 0.00 0.00 0.00 53.44 50.94 3hkz n ALA 1003Cb 0.38 -1.88 -0.15 0.00 0.00 0.00 0.00 19.45 17.80 3hkz n ALA 1003CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkz s ARG 1004N -1.15 2.25 -0.04 0.00 3.00 -1.26 -4.98 118.95 116.77 3hkz s ARG 1004Ca 0.48 -1.11 -0.04 0.00 -1.00 0.00 0.00 55.73 54.07 3hkz s ARG 1004Cb 0.31 -2.69 -0.01 0.00 0.00 0.00 0.00 34.95 32.55 3hkz s ARG 1004CO -0.11 -0.48 -0.08 0.00 0.00 0.00 0.00 175.30 174.64 3hkz n ALA 1005N 4.55 0.20 -2.46 6.12 0.00 -1.26 -4.85 120.51 122.80 3hkz n ALA 1005Ca -0.15 -0.38 -0.29 0.00 0.00 0.00 0.00 53.44 52.62 3hkz n ALA 1005Cb 0.45 0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.78 3hkz n ALA 1005CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkz s ARG 1006N -1.43 1.66 0.07 0.00 3.52 -1.26 -5.06 118.95 116.46 3hkz s ARG 1006Ca -0.06 -1.25 -0.26 0.00 -0.13 0.00 0.00 55.73 54.03 3hkz s ARG 1006Cb 0.01 -2.04 0.09 0.00 -1.56 0.00 0.00 34.95 31.45 3hkz s ARG 1006CO 0.10 0.47 1.16 0.20 -0.81 0.00 0.00 175.30 176.41 3hkz s GLY 1007N -2.15 -0.13 0.50 8.12 0.00 -1.26 -5.07 107.32 107.32 3hkz s GLY 1007Ca 0.17 0.08 -0.21 0.00 0.00 0.00 0.00 44.72 44.76 3hkz s GLY 1007CO 0.09 2.51 0.85 -1.55 0.00 0.00 0.00 173.10 175.01 3hkz n PRO 1008N -0.68 0.98 -4.11 2.90 -0.04 -1.26 -4.82 135.00 127.97 3hkz n PRO 1008Ca -0.03 0.36 -0.14 0.00 -0.04 0.00 0.00 63.50 63.65 3hkz n PRO 1008Cb 0.60 -1.96 -0.13 0.00 -0.04 0.00 0.00 33.50 31.98 3hkz n PRO 1008CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3hkz s VAL 1009N -1.45 0.46 -0.00 0.52 -7.23 -1.26 -1.71 120.40 109.72 3hkz s VAL 1009Ca 0.68 -0.60 -0.38 0.00 -1.81 0.00 0.00 61.98 59.87 3hkz s VAL 1009Cb -0.50 -0.45 -0.17 0.00 0.56 0.00 0.00 36.38 35.82 3hkz s VAL 1009CO 0.54 -0.11 1.38 0.00 -0.31 0.00 0.00 175.10 176.60 3hkz n GLN 1010N 2.29 0.97 -0.33 4.82 1.13 -0.13 -4.76 117.38 121.36 3hkz n GLN 1010Ca -0.17 0.35 0.16 0.00 -1.94 0.00 0.00 57.00 55.40 3hkz n GLN 1010Cb 0.57 -1.98 0.35 0.00 0.11 0.00 0.00 30.24 29.29 3hkz n GLN 1010CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 3hkz h ILE 1011N 3.66 0.50 0.00 5.09 1.08 -1.94 0.58 117.51 126.48 3hkz h ILE 1011Ca -0.48 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 3hkz h ILE 1011Cb 1.35 -0.03 -0.00 0.00 -3.07 0.00 0.00 36.82 35.06 3hkz h ILE 1011CO 0.80 0.09 -0.19 0.25 -0.69 0.00 0.00 178.15 178.41 3hkz h LEU 1012N 0.49 0.00 0.00 1.44 7.12 -1.98 -3.40 115.31 118.98 3hkz h LEU 1012Ca 0.61 -0.65 0.00 0.00 0.13 0.00 0.00 57.88 57.97 3hkz h LEU 1012Cb 1.17 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.30 3hkz h LEU 1012CO -0.51 0.93 -1.37 0.35 -0.13 0.00 0.00 178.44 177.71 3hkz n THR 1013N -4.63 0.27 -0.37 1.05 -2.24 -1.18 -4.96 114.28 102.23 3hkz n THR 1013Ca -0.10 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 3hkz n THR 1013Cb 0.38 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3hkz n THR 1013CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hkz n ARG 1014N -2.33 0.00 -2.31 -0.78 1.74 0.20 -4.44 116.66 108.74 3hkz n ARG 1014Ca -0.01 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.76 3hkz n ARG 1014Cb 0.53 -3.14 -0.02 0.00 -1.02 0.00 0.00 32.46 28.81 3hkz n ARG 1014CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hkz s GLN 1015N -0.25 3.77 0.41 5.56 -0.21 -1.26 -4.45 119.66 123.23 3hkz s GLN 1015Ca 0.00 0.75 -0.21 0.00 0.02 0.00 0.00 55.36 55.92 3hkz s GLN 1015Cb 0.00 -2.18 -0.15 0.00 1.00 0.00 0.00 33.01 31.69 3hkz s GLN 1015CO 0.00 -0.33 0.18 -2.30 -2.12 0.00 0.00 175.29 170.72 3hkz n PRO 1016N -1.99 0.12 -1.22 2.91 -0.02 -1.26 -0.96 135.00 132.58 3hkz n PRO 1016Ca 0.05 0.05 -0.29 0.00 -2.02 0.00 0.00 63.50 61.29 3hkz n PRO 1016Cb 0.54 -1.12 0.19 0.00 -0.02 0.00 0.00 33.50 33.09 3hkz n PRO 1016CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hkz s THR 1017N -1.65 1.90 -0.07 3.45 -4.23 -0.70 -4.55 115.64 109.79 3hkz s THR 1017Ca 0.60 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.16 3hkz s THR 1017Cb -0.62 -2.54 -0.01 0.00 1.34 0.00 0.00 72.50 70.66 3hkz s THR 1017CO 0.62 0.00 -0.22 -0.70 -0.54 0.00 0.00 174.62 173.78 3hkz s GLU 1018N -5.16 2.72 0.00 3.99 -6.30 -1.26 -3.65 118.70 109.05 3hkz s GLU 1018Ca 0.67 -0.85 0.00 0.00 -2.50 0.00 0.00 54.97 52.29 3hkz s GLU 1018Cb -0.15 -2.27 0.00 0.00 0.00 0.00 0.00 34.13 31.71 3hkz s GLU 1018CO 0.56 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.62 3hkz n GLY 1019N 3.02 -2.20 0.36 -1.50 0.00 -1.23 -4.36 105.19 99.28 3hkz n GLY 1019Ca -0.18 -1.26 -0.03 0.00 0.00 0.00 0.00 46.02 44.55 3hkz n GLY 1019CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hkz h ARG 1020N 0.00 1.26 -0.87 1.61 2.43 -1.90 0.11 114.38 117.02 3hkz h ARG 1020Ca 0.00 -0.09 0.22 0.00 -0.81 0.00 0.00 59.98 59.30 3hkz h ARG 1020Cb 0.00 -0.28 -0.13 0.00 -0.42 0.00 0.00 29.97 29.14 3hkz h ARG 1020CO 0.00 0.85 0.30 0.00 -1.51 0.00 0.00 179.97 179.61 3hkz h ALA 1021N 1.33 1.31 -0.59 2.80 0.00 -1.97 -1.31 119.26 120.83 3hkz h ALA 1021Ca 0.34 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3hkz h ALA 1021Cb -0.12 0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3hkz h ALA 1021CO -0.07 -0.40 0.00 -2.13 0.00 0.00 0.00 179.25 176.65 3hkz n ARG 1022N -5.13 2.86 -2.71 0.00 0.63 -0.48 -4.02 116.66 107.79 3hkz n ARG 1022Ca 0.21 -2.48 -0.07 0.00 -0.92 0.00 0.00 57.85 54.59 3hkz n ARG 1022Cb 0.64 -1.50 0.01 0.00 0.45 0.00 0.00 32.46 32.06 3hkz n ARG 1022CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 3hkz n GLU 1023N 1.20 -2.07 -3.65 -0.14 2.13 0.25 -4.68 120.64 113.68 3hkz n GLU 1023Ca 0.20 1.92 -0.00 0.00 0.66 0.00 0.00 57.16 59.94 3hkz n GLU 1023Cb 0.58 -5.24 -0.06 0.00 0.27 0.00 0.00 31.44 26.99 3hkz n GLU 1023CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 3hkz s GLY 1024N -2.46 0.43 1.03 8.31 0.00 -1.24 -4.20 107.32 109.18 3hkz s GLY 1024Ca 0.21 3.60 -0.11 0.00 0.00 0.00 0.00 44.72 48.42 3hkz s GLY 1024CO 0.68 2.54 1.10 -0.32 0.00 0.00 0.00 173.10 177.10 3hkz s GLY 1025N 0.87 1.63 0.35 0.20 0.00 -1.24 -3.50 107.32 105.63 3hkz s GLY 1025Ca -0.05 0.31 -0.26 0.00 0.00 0.00 0.00 44.72 44.72 3hkz s GLY 1025CO -0.12 0.86 1.06 -2.27 0.00 0.00 0.00 173.10 172.63 3hkz s LEU 1026N -6.90 4.31 0.21 0.66 0.20 -1.26 -4.72 118.68 111.18 3hkz s LEU 1026Ca 0.68 2.12 -0.31 0.00 0.69 0.00 0.00 54.13 57.30 3hkz s LEU 1026Cb -0.24 -3.96 -0.10 0.00 -0.43 0.00 0.00 46.19 41.45 3hkz s LEU 1026CO 0.61 -0.34 1.55 -0.60 -0.29 0.00 0.00 176.35 177.27 3hkz s ARG 1027N -2.07 4.21 -0.57 1.98 3.52 -1.26 -5.01 118.95 119.75 3hkz s ARG 1027Ca 0.52 2.39 -0.17 0.00 -0.13 0.00 0.00 55.73 58.35 3hkz s ARG 1027Cb -0.26 -3.12 0.13 0.00 -1.56 0.00 0.00 34.95 30.14 3hkz s ARG 1027CO 0.33 -0.57 0.57 0.12 -0.81 0.00 0.00 175.30 174.93 3hkz s PHE 1028N 0.68 3.22 0.21 5.12 5.36 -1.26 -5.06 117.98 126.25 3hkz s PHE 1028Ca 0.66 -1.26 0.03 0.00 -0.96 0.00 0.00 56.93 55.40 3hkz s PHE 1028Cb -0.44 -3.85 -0.05 0.00 -0.34 0.00 0.00 43.02 38.34 3hkz s PHE 1028CO 0.37 -1.08 -0.00 0.20 -1.46 0.00 0.00 175.22 173.24 3hkz s GLY 1029N 3.52 1.44 0.00 13.12 0.00 -1.26 -4.91 107.32 119.23 3hkz s GLY 1029Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.08 3hkz s GLY 1029CO 0.03 -1.61 0.00 -1.84 0.00 0.00 0.00 173.10 169.68 3hkz n GLU 1030N -0.35 0.00 0.32 2.90 -0.00 -1.26 0.25 120.64 122.50 3hkz n GLU 1030Ca -0.05 0.00 0.19 0.00 -0.00 0.00 0.00 57.16 57.29 3hkz n GLU 1030Cb 0.64 0.00 1.00 0.00 -0.00 0.00 0.00 31.44 33.07 3hkz n GLU 1030CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.13 177.65 3hkz h MET 1031N 0.00 0.00 0.02 3.44 2.86 -1.99 -2.19 114.93 117.07 3hkz h MET 1031Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 3hkz h MET 1031Cb 0.00 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 3hkz h MET 1031CO 0.00 0.00 -1.85 0.39 1.06 0.00 0.00 176.91 176.51 3hkz n GLU 1032N -2.91 0.66 -0.08 1.72 4.71 0.14 -2.70 120.64 122.18 3hkz n GLU 1032Ca -0.02 0.26 -0.12 0.00 -0.01 0.00 0.00 57.16 57.26 3hkz n GLU 1032Cb 0.20 -1.74 -0.05 0.00 -1.01 0.00 0.00 31.44 28.84 3hkz n GLU 1032CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3hkz h ARG 1033N 0.01 0.45 -1.52 3.49 0.11 -1.56 -1.42 114.38 113.94 3hkz h ARG 1033Ca -0.35 -0.18 0.46 0.00 0.10 0.00 0.00 59.98 60.02 3hkz h ARG 1033Cb 2.04 -0.02 -0.09 0.00 1.11 0.00 0.00 29.97 33.02 3hkz h ARG 1033CO 0.07 0.70 1.06 -0.25 0.10 0.00 0.00 179.97 181.66 3hkz n ASP 1034N -4.56 0.06 0.10 0.08 10.43 -1.01 0.31 116.55 121.96 3hkz n ASP 1034Ca -0.04 0.97 0.13 0.00 2.57 0.00 0.00 54.79 58.42 3hkz n ASP 1034Cb 0.31 -0.48 0.42 0.00 1.84 0.00 0.00 41.12 43.21 3hkz n ASP 1034CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3hkz n LEU 1036N -2.20 1.79 -0.01 0.00 4.77 0.92 -3.87 117.00 118.40 3hkz n LEU 1036Ca 0.06 -1.78 0.05 0.00 -0.03 0.00 0.00 56.01 54.31 3hkz n LEU 1036Cb 0.42 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 3hkz n LEU 1036CO 0.30 0.45 -0.70 -0.38 -1.33 0.00 0.00 177.39 175.73 3hkz n ILE 1037N -0.38 0.12 0.12 -0.08 5.41 -0.45 -3.09 119.36 121.00 3hkz n ILE 1037Ca 0.00 -0.36 -0.14 0.00 1.00 0.00 0.00 62.75 63.26 3hkz n ILE 1037Cb 0.20 0.07 -0.08 0.00 -0.71 0.00 0.00 39.64 39.12 3hkz n ILE 1037CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3hkz h GLY 1038N 2.61 -0.27 -1.64 7.39 0.00 -1.67 -3.39 103.07 106.10 3hkz h GLY 1038Ca -0.05 0.10 -0.51 0.00 0.00 0.00 0.00 47.33 46.88 3hkz h GLY 1038CO 0.00 -0.10 0.37 -1.36 0.00 0.00 0.00 176.54 175.45 3hkz s PHE 1039N -5.43 2.68 -0.50 5.60 2.99 -1.25 -4.95 117.98 117.11 3hkz s PHE 1039Ca -0.15 1.54 -0.02 0.00 0.00 0.00 0.00 56.93 58.30 3hkz s PHE 1039Cb 0.04 -3.12 0.24 0.00 0.00 0.00 0.00 43.02 40.17 3hkz s PHE 1039CO 0.63 -1.62 2.25 0.41 -0.00 0.00 0.00 175.22 176.88 3hkz n GLY 1040N -0.72 4.74 3.29 4.36 0.00 -1.26 -4.64 105.19 110.96 3hkz n GLY 1040Ca 0.10 -1.77 -0.44 0.00 0.00 0.00 0.00 46.02 43.91 3hkz n GLY 1040CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hkz n THR 1041N 0.12 4.49 -0.02 2.61 5.66 -1.18 -4.85 114.28 121.11 3hkz n THR 1041Ca 0.46 -5.02 -0.08 0.00 -3.05 0.00 0.00 64.05 56.35 3hkz n THR 1041Cb 0.54 -2.45 0.08 0.00 -1.55 0.00 0.00 70.33 66.96 3hkz n THR 1041CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hkz h ALA 1042N 6.58 0.79 0.09 1.79 0.00 -1.90 -2.60 119.26 124.02 3hkz h ALA 1042Ca 0.27 -0.45 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 3hkz h ALA 1042Cb 0.81 -0.11 0.03 0.00 0.00 0.00 0.00 17.79 18.52 3hkz h ALA 1042CO 1.24 0.65 -1.19 0.52 0.00 0.00 0.00 179.25 180.47 3hkz h MET 1043N 0.51 0.64 -0.32 0.00 2.86 -1.98 -2.89 114.93 113.76 3hkz h MET 1043Ca 0.04 -0.82 0.04 0.00 -2.06 0.00 0.00 59.70 56.91 3hkz h MET 1043Cb 0.93 0.26 -0.04 0.00 0.06 0.00 0.00 31.60 32.82 3hkz h MET 1043CO 0.08 1.37 0.08 1.25 1.06 0.00 0.00 176.91 180.75 3hkz h LEU 1044N 0.29 0.04 0.00 1.22 5.85 -1.97 -1.87 115.31 118.88 3hkz h LEU 1044Ca -0.18 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3hkz h LEU 1044Cb 1.86 0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.95 3hkz h LEU 1044CO 0.23 0.06 0.00 -0.11 -0.34 0.00 0.00 178.44 178.28 3hkz n LEU 1045N -5.07 0.00 0.05 2.25 0.00 -0.98 -0.73 117.00 112.52 3hkz n LEU 1045Ca 0.00 0.43 0.12 0.00 0.00 0.00 0.00 56.01 56.57 3hkz n LEU 1045Cb 0.13 -0.43 0.21 0.00 0.00 0.00 0.00 43.42 43.33 3hkz n LEU 1045CO 0.26 -0.19 0.42 1.17 0.00 0.00 0.00 177.39 179.05 3hkz n LYS 1046N -1.43 0.24 -0.67 1.96 4.81 -0.73 -1.82 118.16 120.52 3hkz n LYS 1046Ca 0.05 0.08 0.06 0.00 -0.87 0.00 0.00 58.31 57.63 3hkz n LYS 1046Cb 0.18 -1.66 0.32 0.00 0.02 0.00 0.00 35.03 33.89 3hkz n LYS 1046CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3hkz n ASP 1047N -2.01 4.60 0.00 3.14 4.64 0.09 -0.87 116.55 126.14 3hkz n ASP 1047Ca 0.04 -2.66 0.00 0.00 -1.38 0.00 0.00 54.79 50.79 3hkz n ASP 1047Cb 0.42 -0.62 0.00 0.00 -1.04 0.00 0.00 41.12 39.88 3hkz n ASP 1047CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3hkz n ARG 1048N 0.58 0.00 -0.08 -0.67 3.00 -1.24 -4.18 116.66 114.08 3hkz n ARG 1048Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.99 3hkz n ARG 1048Cb 0.95 0.00 -0.16 0.00 0.00 0.00 0.00 32.46 33.25 3hkz n ARG 1048CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3hkz n LEU 1049N -0.02 0.15 0.00 6.15 7.94 -0.75 -4.86 117.00 125.60 3hkz n LEU 1049Ca 0.00 0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.97 3hkz n LEU 1049Cb 0.00 0.40 0.00 0.00 0.53 0.00 0.00 43.42 44.35 3hkz n LEU 1049CO 0.00 0.43 0.00 -0.11 -1.11 0.00 0.00 177.39 176.60 3hkz n LEU 1050N -2.76 0.00 0.23 -1.96 0.00 -1.21 -4.85 117.00 106.45 3hkz n LEU 1050Ca -0.28 0.00 0.08 0.00 0.00 0.00 0.00 56.01 55.81 3hkz n LEU 1050Cb 1.09 0.00 0.55 0.00 0.00 0.00 0.00 43.42 45.06 3hkz n LEU 1050CO 0.43 0.00 0.88 0.44 0.00 0.00 0.00 177.39 179.14 3hkz h ASP 1051N 0.00 0.00 -1.10 1.96 3.45 -1.27 -2.84 116.42 116.63 3hkz h ASP 1051Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 3hkz h ASP 1051Cb 0.00 0.00 -0.42 0.00 -0.56 0.00 0.00 39.33 38.35 3hkz h ASP 1051CO 0.00 0.21 -0.72 0.59 -1.57 0.00 0.00 179.24 177.75 3hkz n ASN 1052N -3.91 4.93 0.00 6.45 4.13 -1.26 -4.68 115.26 120.93 3hkz n ASN 1052Ca -0.02 -3.74 0.00 0.00 1.68 0.00 0.00 54.58 52.50 3hkz n ASN 1052Cb 0.30 -0.41 0.00 0.00 -1.54 0.00 0.00 39.78 38.13 3hkz n ASN 1052CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3hkz n SER 1053N -0.62 0.00 0.03 6.41 7.64 -1.17 -4.93 113.62 120.98 3hkz n SER 1053Ca 0.42 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.30 3hkz n SER 1053Cb 0.82 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.16 3hkz n SER 1053CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hkz n ASP 1054N -2.33 0.09 0.00 6.43 8.00 -1.09 -4.39 116.55 123.26 3hkz n ASP 1054Ca 0.00 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.59 3hkz n ASP 1054Cb 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 3hkz n ASP 1054CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3hkz n ARG 1055N -2.76 0.00 0.00 -1.24 1.74 -1.12 -4.62 116.66 108.67 3hkz n ARG 1055Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3hkz n ARG 1055Cb 0.00 -0.09 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 3hkz n ARG 1055CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3hkz n THR 1056N 0.00 0.00 -2.36 0.55 -1.04 -1.21 -2.37 114.28 107.86 3hkz n THR 1056Ca 0.00 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3hkz n THR 1056Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3hkz n THR 1056CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 3hkz s MET 1057N 0.00 4.46 0.02 -2.82 -1.94 -1.26 -1.77 119.30 115.99 3hkz s MET 1057Ca 0.00 1.88 0.02 0.00 -1.71 0.00 0.00 55.69 55.88 3hkz s MET 1057Cb 0.00 -3.26 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 3hkz s MET 1057CO 0.00 -0.17 -0.08 0.42 -0.01 0.00 0.00 175.02 175.18 3hkz s ILE 1058N 0.33 0.59 0.07 2.53 1.01 0.90 -4.92 121.20 121.72 3hkz s ILE 1058Ca 0.56 -0.69 0.06 0.00 0.00 0.00 0.00 60.65 60.57 3hkz s ILE 1058Cb -0.32 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 3hkz s ILE 1058CO 0.34 -0.09 -0.10 -0.31 0.00 0.00 0.00 174.94 174.78 3hkz s TYR 1059N -0.74 2.76 -0.02 3.97 1.51 -1.26 0.18 117.35 123.75 3hkz s TYR 1059Ca -0.03 -0.14 0.01 0.00 -1.01 0.00 0.00 57.07 55.90 3hkz s TYR 1059Cb -0.06 -1.48 0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3hkz s TYR 1059CO 0.00 0.39 -0.01 0.08 -1.11 0.00 0.00 175.55 174.90 3hkz s VAL 1060N -1.13 0.21 0.37 0.71 1.01 -0.20 -4.02 120.40 117.35 3hkz s VAL 1060Ca 0.20 -0.01 -0.26 0.00 0.00 0.00 0.00 61.98 61.91 3hkz s VAL 1060Cb -0.11 -0.26 -0.09 0.00 0.00 0.00 0.00 36.38 35.92 3hkz s VAL 1060CO 0.11 0.12 1.08 0.00 0.00 0.00 0.00 175.10 176.41 3hkz h ASP 1062N 2.88 -0.64 -0.20 0.00 5.19 -1.78 -2.14 116.42 119.73 3hkz h ASP 1062Ca -0.48 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 55.92 3hkz h ASP 1062Cb 1.22 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.89 3hkz h ASP 1062CO 0.64 -0.36 -0.02 1.56 -3.12 0.00 0.00 179.24 177.94 3hkz h GLN 1063N -0.96 0.36 -1.04 3.56 4.20 -1.91 -3.36 115.11 115.96 3hkz h GLN 1063Ca -0.08 -0.13 -0.43 0.00 0.06 0.00 0.00 58.65 58.08 3hkz h GLN 1063Cb 0.58 -0.03 -0.41 0.00 0.30 0.00 0.00 27.48 27.93 3hkz h GLN 1063CO 0.13 0.59 -1.01 0.00 -0.67 0.00 0.00 178.83 177.87 3hkz n GLY 1065N -0.34 -0.28 0.00 0.00 0.00 -0.80 -4.67 105.19 99.10 3hkz n GLY 1065Ca 0.21 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.43 3hkz n GLY 1065CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 1066N 14.08 0.00 -1.83 1.61 0.53 -1.26 -2.95 117.16 127.33 3hkz n TYR 1066Ca 0.53 0.00 -0.30 0.00 -1.02 0.00 0.00 57.90 57.11 3hkz n TYR 1066Cb 0.33 0.00 0.20 0.00 -1.03 0.00 0.00 39.34 38.84 3hkz n TYR 1066CO 0.00 0.00 0.00 -1.50 -1.02 0.00 0.00 176.86 174.34 3hkz s ILE 1067N 0.93 1.95 0.00 -0.72 1.10 -1.26 -4.83 121.20 118.37 3hkz s ILE 1067Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.14 3hkz s ILE 1067Cb 0.00 -2.94 0.00 0.00 0.15 0.00 0.00 42.46 39.67 3hkz s ILE 1067CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 174.94 173.44 3hkz n GLY 1068N -3.46 -1.85 0.00 1.50 0.00 -1.26 -4.68 105.19 95.44 3hkz n GLY 1068Ca 0.15 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.70 3hkz n GLY 1068CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3hkz n TRP 1069N -0.85 -0.21 -3.21 1.61 4.27 -1.26 -4.70 117.44 113.08 3hkz n TRP 1069Ca 0.00 0.00 -0.46 0.00 -3.89 0.00 0.00 57.50 53.15 3hkz n TRP 1069Cb 0.00 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.92 3hkz n TRP 1069CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 3hkz s TYR 1070N -3.39 3.47 0.00 -2.67 1.51 -1.23 -4.98 117.35 110.06 3hkz s TYR 1070Ca 0.00 -1.66 0.00 0.00 -1.01 0.00 0.00 57.07 54.40 3hkz s TYR 1070Cb 0.00 -3.95 0.00 0.00 -0.11 0.00 0.00 41.96 37.90 3hkz s TYR 1070CO 0.00 -1.15 0.00 -0.25 -1.11 0.00 0.00 175.55 173.04 3hkz n ASP 1071N 4.99 0.00 -2.14 2.29 9.92 -1.26 -3.91 116.55 126.43 3hkz n ASP 1071Ca 0.10 0.00 -0.06 0.00 -0.53 0.00 0.00 54.79 54.30 3hkz n ASP 1071Cb 0.46 -0.73 -0.09 0.00 -0.64 0.00 0.00 41.12 40.13 3hkz n ASP 1071CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3hkz n LYS 1072N -0.65 1.09 -2.57 -1.24 5.02 -1.26 -3.00 118.16 115.54 3hkz n LYS 1072Ca 0.00 -0.51 -0.41 0.00 -2.02 0.00 0.00 58.31 55.37 3hkz n LYS 1072Cb 0.00 -1.71 -0.04 0.00 -0.02 0.00 0.00 35.03 33.26 3hkz n LYS 1072CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hkz s ASN 1073N 2.36 7.30 -0.73 4.39 4.22 -1.26 -2.84 114.94 128.37 3hkz s ASN 1073Ca 0.34 1.95 0.00 0.00 -2.14 0.00 0.00 52.86 53.01 3hkz s ASN 1073Cb 0.16 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 40.10 3hkz s ASN 1073CO 0.00 -0.24 0.00 0.29 -2.04 0.00 0.00 177.10 175.11 3hkz n LYS 1074N 2.99 -2.02 -4.29 3.55 4.76 -1.26 -0.48 118.16 121.41 3hkz n LYS 1074Ca 0.04 0.41 -0.31 0.00 -2.87 0.00 0.00 58.31 55.59 3hkz n LYS 1074Cb 0.48 -4.82 -0.09 0.00 -1.84 0.00 0.00 35.03 28.75 3hkz n LYS 1074CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3hkz n ASN 1075N -1.04 0.72 -0.08 4.39 3.02 -1.13 -4.89 115.26 116.26 3hkz n ASN 1075Ca -0.09 -1.25 -0.07 0.00 -0.03 0.00 0.00 54.58 53.14 3hkz n ASN 1075Cb 0.46 -1.75 -0.12 0.00 -0.61 0.00 0.00 39.78 37.75 3hkz n ASN 1075CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3hkz n LYS 1076N -4.55 1.46 -3.98 3.52 5.02 0.37 -5.03 118.16 114.97 3hkz n LYS 1076Ca -0.31 -0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.71 3hkz n LYS 1076Cb 0.69 -1.40 -0.08 0.00 -0.02 0.00 0.00 35.03 34.23 3hkz n LYS 1076CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3hkz n TYR 1077N -2.56 -1.02 -3.63 2.13 0.18 -1.16 -4.72 117.16 106.37 3hkz n TYR 1077Ca -0.25 0.48 -0.36 0.00 1.88 0.00 0.00 57.90 59.65 3hkz n TYR 1077Cb 0.99 -2.27 -0.08 0.00 -0.38 0.00 0.00 39.34 37.60 3hkz n TYR 1077CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hkz s VAL 1078N -4.12 5.35 0.67 -3.48 1.01 -1.26 -4.87 120.40 113.71 3hkz s VAL 1078Ca 0.01 0.32 -0.11 0.00 0.00 0.00 0.00 61.98 62.20 3hkz s VAL 1078Cb -0.01 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 3hkz s VAL 1078CO 0.81 0.38 1.06 0.00 0.00 0.00 0.00 175.10 177.36 3hkz n PRO 1080N -2.91 0.00 -3.73 0.00 -0.02 -1.26 -2.94 135.00 124.14 3hkz n PRO 1080Ca 0.07 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.27 3hkz n PRO 1080Cb 0.55 -1.21 -0.16 0.00 -0.02 0.00 0.00 33.50 32.66 3hkz n PRO 1080CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkz s ILE 1081N -1.37 0.51 0.00 4.25 1.01 -1.26 -5.16 121.20 119.18 3hkz s ILE 1081Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.04 3hkz s ILE 1081Cb 0.00 -1.06 0.00 0.00 0.01 0.00 0.00 42.46 41.41 3hkz s ILE 1081CO 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 174.94 174.68 3hkz n HIS 1082N 5.05 -2.07 -2.51 3.97 1.44 -1.15 -4.71 115.22 115.23 3hkz n HIS 1082Ca -0.08 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.56 3hkz n HIS 1082Cb 0.47 0.00 0.04 0.00 0.12 0.00 0.00 29.99 30.61 3hkz n HIS 1082CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3hkz n GLY 1083N 5.00 0.10 4.56 -1.39 0.00 -1.26 -2.92 105.19 109.28 3hkz n GLY 1083Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3hkz n GLY 1083CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkz n ASP 1084N -1.95 0.00 -4.35 1.61 8.00 -1.26 -4.93 116.55 113.66 3hkz n ASP 1084Ca -0.10 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.00 3hkz n ASP 1084Cb 0.57 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.68 3hkz n ASP 1084CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3hkz n LYS 1085N 0.00 0.24 0.00 -1.24 4.81 -1.15 -2.14 118.16 118.68 3hkz n LYS 1085Ca 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 3hkz n LYS 1085Cb 0.00 -1.26 0.00 0.00 0.02 0.00 0.00 35.03 33.79 3hkz n LYS 1085CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 3hkz n SER 1086N 1.75 0.00 -1.35 3.14 3.41 -1.26 -4.79 113.62 114.52 3hkz n SER 1086Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 3hkz n SER 1086Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 3hkz n SER 1086CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hkz n ASN 1087N 1.05 -7.28 -4.20 4.04 4.05 -0.91 -4.47 115.26 107.54 3hkz n ASN 1087Ca 0.00 1.55 -0.21 0.00 0.45 0.00 0.00 54.58 56.37 3hkz n ASN 1087Cb 0.00 -4.19 -0.13 0.00 1.23 0.00 0.00 39.78 36.70 3hkz n ASN 1087CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3hkz s LEU 1088N -4.85 2.25 -0.07 1.20 1.43 -1.26 -3.99 118.68 113.38 3hkz s LEU 1088Ca 0.00 -0.59 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3hkz s LEU 1088Cb 0.00 -0.67 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 3hkz s LEU 1088CO 0.00 0.01 -0.11 -0.36 0.23 0.00 0.00 176.35 176.11 3hkz s PHE 1089N -1.10 2.81 0.32 0.29 2.99 -1.13 -4.93 117.98 117.24 3hkz s PHE 1089Ca 0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 56.93 56.62 3hkz s PHE 1089Cb -0.09 -1.70 -0.09 0.00 0.00 0.00 0.00 43.02 41.14 3hkz s PHE 1089CO 0.02 0.18 0.78 -2.14 -0.00 0.00 0.00 175.22 174.06 3hkz s PRO 1090N -0.58 4.10 -0.14 0.24 0.02 -1.26 -1.03 135.00 136.34 3hkz s PRO 1090Ca 0.08 0.80 -0.08 0.00 0.02 0.00 0.00 61.00 61.82 3hkz s PRO 1090Cb -0.12 -2.47 0.05 0.00 0.02 0.00 0.00 34.50 31.99 3hkz s PRO 1090CO 0.02 0.17 0.34 0.54 -0.33 0.00 0.00 177.00 177.73 3hkz s VAL 1091N -1.93 -0.03 -0.42 3.83 0.11 0.48 -4.95 120.40 117.49 3hkz s VAL 1091Ca 0.54 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 59.41 3hkz s VAL 1091Cb -0.11 -0.51 0.01 0.00 -1.53 0.00 0.00 36.38 34.24 3hkz s VAL 1091CO 0.17 0.05 1.34 -0.89 -3.33 0.00 0.00 175.10 172.44 3hkz s THR 1092N 1.28 4.00 -0.06 5.04 2.01 -1.26 -0.07 115.64 126.58 3hkz s THR 1092Ca -0.09 1.03 -0.11 0.00 0.31 0.00 0.00 61.69 62.82 3hkz s THR 1092Cb -0.09 -4.30 0.02 0.00 0.01 0.00 0.00 72.50 68.15 3hkz s THR 1092CO -0.10 -0.79 0.27 -0.69 -0.69 0.00 0.00 174.62 172.62 3hkz s VAL 1093N 5.11 0.03 0.09 3.82 1.01 -0.73 -4.98 120.40 124.76 3hkz s VAL 1093Ca 0.58 -0.28 -0.31 0.00 0.00 0.00 0.00 61.98 61.97 3hkz s VAL 1093Cb -0.12 -0.49 -0.09 0.00 0.00 0.00 0.00 36.38 35.68 3hkz s VAL 1093CO 0.32 -0.15 1.76 -0.55 0.00 0.00 0.00 175.10 176.47 3hkz s SER 1094N -0.62 6.51 0.57 3.32 0.15 -1.26 -3.29 113.70 119.08 3hkz s SER 1094Ca -0.07 2.63 0.30 0.00 0.70 0.00 0.00 55.95 59.51 3hkz s SER 1094Cb -0.04 -2.56 1.46 0.00 -1.71 0.00 0.00 66.02 63.16 3hkz s SER 1094CO 0.02 -0.96 1.87 0.22 1.20 0.00 0.00 173.24 175.59 3hkz h TYR 1095N 8.59 0.00 -0.38 3.44 3.20 -1.87 0.19 116.97 130.15 3hkz h TYR 1095Ca -0.45 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.53 3hkz h TYR 1095Cb 1.21 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 39.47 3hkz h TYR 1095CO 0.79 0.00 0.30 0.00 -1.64 0.00 0.00 178.16 177.61 3hkz h ALA 1096N 1.46 2.26 -0.00 1.82 0.00 -1.90 -0.28 119.26 122.62 3hkz h ALA 1096Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3hkz h ALA 1096Cb 1.48 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hkz h ALA 1096CO -0.00 -0.49 -0.05 0.35 0.00 0.00 0.00 179.25 179.05 3hkz h PHE 1097N 0.00 0.06 -0.92 0.00 3.57 -0.98 -3.23 116.94 115.44 3hkz h PHE 1097Ca 0.18 -0.03 0.26 0.00 3.53 0.00 0.00 57.97 61.91 3hkz h PHE 1097Cb 0.77 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.36 3hkz h PHE 1097CO 0.00 0.80 0.36 -0.22 -2.23 0.00 0.00 178.31 177.03 3hkz h LYS 1098N -0.70 0.27 0.51 1.11 3.11 -1.12 0.23 116.57 119.97 3hkz h LYS 1098Ca -0.01 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.80 3hkz h LYS 1098Cb 0.81 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.98 3hkz h LYS 1098CO 0.01 0.18 -0.31 -0.07 -2.81 0.00 0.00 179.45 176.44 3hkz h LEU 1099N 0.28 -0.80 -0.25 5.20 3.38 -1.56 -2.54 115.31 119.02 3hkz h LEU 1099Ca 0.61 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.66 3hkz h LEU 1099Cb 1.28 0.23 -0.06 0.00 0.09 0.00 0.00 40.66 42.21 3hkz h LEU 1099CO -0.62 -0.48 -0.40 0.25 0.09 0.00 0.00 178.44 177.28 3hkz h LEU 1100N -0.77 -1.31 -0.80 1.67 5.85 -0.68 0.53 115.31 119.79 3hkz h LEU 1100Ca -0.07 0.17 0.12 0.00 0.84 0.00 0.00 57.88 58.94 3hkz h LEU 1100Cb 0.62 0.53 -0.12 0.00 0.37 0.00 0.00 40.66 42.05 3hkz h LEU 1100CO 0.07 -0.30 -0.34 -0.38 -0.34 0.00 0.00 178.44 177.15 3hkz n ILE 1101N -4.61 -0.44 0.32 4.05 2.08 0.14 0.28 119.36 121.18 3hkz n ILE 1101Ca -0.03 1.89 -0.18 0.00 0.56 0.00 0.00 62.75 64.99 3hkz n ILE 1101Cb 0.25 -2.48 -0.09 0.00 -0.75 0.00 0.00 39.64 36.57 3hkz n ILE 1101CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 3hkz h GLN 1102N 0.00 -0.97 -0.43 0.38 4.20 0.24 0.21 115.11 118.74 3hkz h GLN 1102Ca 0.26 0.07 0.08 0.00 0.06 0.00 0.00 58.65 59.11 3hkz h GLN 1102Cb 0.46 0.22 -0.10 0.00 0.30 0.00 0.00 27.48 28.36 3hkz h GLN 1102CO -0.79 -0.64 -0.34 0.93 -0.67 0.00 0.00 178.83 177.31 3hkz h GLU 1103N -1.00 -0.24 -0.69 1.46 5.08 0.43 1.14 114.58 120.76 3hkz h GLU 1103Ca -0.07 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 3hkz h GLU 1103Cb 0.85 0.05 -0.13 0.00 0.50 0.00 0.00 28.75 30.03 3hkz h GLU 1103CO -0.01 -0.16 -0.23 -0.07 -1.00 0.00 0.00 179.01 177.54 3hkz h LEU 1104N -0.24 -0.82 0.00 1.33 3.38 -0.04 0.26 115.31 119.18 3hkz h LEU 1104Ca 0.18 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.40 3hkz h LEU 1104Cb 0.55 0.49 -0.04 0.00 0.09 0.00 0.00 40.66 41.74 3hkz h LEU 1104CO -0.57 -0.26 -0.22 0.24 0.09 0.00 0.00 178.44 177.72 3hkz h MET 1105N -0.05 -0.34 0.00 1.13 2.86 0.43 0.24 114.93 119.21 3hkz h MET 1105Ca 0.31 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.98 3hkz h MET 1105Cb 0.54 0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3hkz h MET 1105CO -0.73 -0.23 -0.00 0.66 1.06 0.00 0.00 176.91 177.67 3hkz h SER 1106N -0.35 0.00 -0.13 1.22 4.64 0.18 0.49 113.55 119.59 3hkz h SER 1106Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hkz h SER 1106Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3hkz h SER 1106CO -0.20 0.00 0.00 0.80 -0.87 0.00 0.00 176.83 176.56 3hkz n MET 1107N -3.12 1.97 -2.66 4.77 0.00 -0.10 -4.95 117.12 113.04 3hkz n MET 1107Ca -0.02 -1.44 -0.07 0.00 0.00 0.00 0.00 57.70 56.16 3hkz n MET 1107Cb 0.11 -1.46 0.04 0.00 0.00 0.00 0.00 33.22 31.91 3hkz n MET 1107CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 175.97 175.08 3hkz n ILE 1108N 0.70 -2.13 -4.24 1.12 2.08 0.17 -5.06 119.36 112.00 3hkz n ILE 1108Ca 0.17 -0.15 -0.34 0.00 0.56 0.00 0.00 62.75 62.99 3hkz n ILE 1108Cb 0.44 -3.27 -0.11 0.00 -0.75 0.00 0.00 39.64 35.95 3hkz n ILE 1108CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3hkz s ILE 1109N -3.14 4.21 -0.29 1.39 1.09 0.79 -4.99 121.20 120.26 3hkz s ILE 1109Ca 0.05 -0.24 -0.25 0.00 -1.10 0.00 0.00 60.65 59.11 3hkz s ILE 1109Cb -0.02 -2.87 0.00 0.00 -1.06 0.00 0.00 42.46 38.51 3hkz s ILE 1109CO 0.29 0.48 0.87 -0.94 -0.10 0.00 0.00 174.94 175.54 3hkz s SER 1110N 0.40 6.78 -0.84 3.58 1.04 -1.26 -3.13 113.70 120.27 3hkz s SER 1110Ca -0.01 0.87 -0.00 0.00 0.48 0.00 0.00 55.95 57.28 3hkz s SER 1110Cb -0.14 -2.45 0.21 0.00 0.10 0.00 0.00 66.02 63.74 3hkz s SER 1110CO 0.02 -0.64 0.71 -2.16 0.98 0.00 0.00 173.24 172.14 3hkz s PRO 1111N 3.07 3.09 -0.49 4.02 0.04 -1.26 -5.05 135.00 138.42 3hkz s PRO 1111Ca 0.36 -3.26 -0.18 0.00 0.04 0.00 0.00 61.00 57.96 3hkz s PRO 1111Cb -0.14 -3.84 0.06 0.00 0.04 0.00 0.00 34.50 30.61 3hkz s PRO 1111CO 0.11 -1.26 0.57 1.03 0.04 0.00 0.00 177.00 177.49 3hkz s ARG 1112N -1.31 3.09 -0.03 4.56 0.52 -1.26 -4.70 118.95 119.83 3hkz s ARG 1112Ca 0.26 -0.98 -0.19 0.00 -0.52 0.00 0.00 55.73 54.31 3hkz s ARG 1112Cb -0.07 -4.10 -0.05 0.00 0.52 0.00 0.00 34.95 31.25 3hkz s ARG 1112CO -0.13 -1.16 0.53 -0.48 0.02 0.00 0.00 175.30 174.09 3hkz s LEU 1113N 2.39 4.40 0.00 2.53 0.05 -1.15 -4.97 118.68 121.92 3hkz s LEU 1113Ca 0.13 1.05 0.00 0.00 0.05 0.00 0.00 54.13 55.35 3hkz s LEU 1113Cb -0.20 -2.81 0.00 0.00 -2.05 0.00 0.00 46.19 41.13 3hkz s LEU 1113CO 0.11 0.12 0.00 1.33 -0.55 0.00 0.00 176.35 177.36 3hkz n VAL 1114N 2.77 0.00 -3.61 1.48 0.24 -1.26 -4.72 118.33 113.22 3hkz n VAL 1114Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 3hkz n VAL 1114Cb 0.51 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 3hkz n VAL 1114CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3hkz s LEU 1115N 0.00 -0.37 0.00 1.34 2.34 -1.26 -5.05 118.68 115.67 3hkz s LEU 1115Ca 0.00 0.58 0.00 0.00 0.06 0.00 0.00 54.13 54.77 3hkz s LEU 1115Cb 0.00 1.79 0.00 0.00 -0.56 0.00 0.00 46.19 47.42 3hkz s LEU 1115CO 0.00 -0.22 0.00 -0.62 -1.06 0.00 0.00 176.35 174.45 3hkz n GLU 1116N 1.46 2.40 0.00 1.48 1.02 -1.26 -5.17 120.64 120.57 3hkz n GLU 1116Ca -0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 3hkz n GLU 1116Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3hkz n GLU 1116CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hkz n ASP 1117N 0.00 0.00 0.00 1.62 -0.08 -1.26 -5.08 116.55 111.75 3hkz n ASP 1117Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3hkz n ASP 1117Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3hkz n ASP 1117CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 3hkz n LYS 1118N 0.00 0.00 0.00 -0.67 2.85 -1.26 -5.29 118.16 113.79 3hkz n LYS 1118Ca 0.00 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.40 3hkz n LYS 1118Cb 0.00 0.00 0.85 0.00 -0.65 0.00 0.00 35.03 35.23 3hkz n LYS 1118CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63