#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s ASN 5 N 0.00 -0.97 0.26 3.14 2.47 -1.26 -5.14 114.94 113.43 3hkz s ASN 5 Ca 0.00 0.65 -0.31 0.00 0.42 0.00 0.00 52.86 53.63 3hkz s ASN 5 Cb 0.00 1.89 -0.13 0.00 -1.45 0.00 0.00 41.25 41.55 3hkz s ASN 5 CO 0.00 -0.27 1.40 -0.38 -3.72 0.00 0.00 177.10 174.13 3hkz n ILE 6 N 5.41 1.10 -2.75 -5.21 2.08 -1.26 -4.94 119.36 113.79 3hkz n ILE 6 Ca -0.01 -0.28 -0.08 0.00 0.56 0.00 0.00 62.75 62.95 3hkz n ILE 6 Cb 0.51 -1.51 0.05 0.00 -0.75 0.00 0.00 39.64 37.94 3hkz n ILE 6 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 3hkz n LYS 7 N 1.83 0.74 0.00 0.38 4.81 -1.26 -5.12 118.16 119.54 3hkz n LYS 7 Ca 0.10 -1.70 0.00 0.00 -0.87 0.00 0.00 58.31 55.84 3hkz n LYS 7 Cb 0.32 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.96 3hkz n LYS 7 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3hkz n GLY 8 N 1.70 3.31 3.47 3.14 0.00 -1.26 -5.11 105.19 110.44 3hkz n GLY 8 Ca 0.09 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 3hkz n GLY 8 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 9 N 0.00 4.84 -0.47 -0.61 -1.09 -1.26 -5.06 121.20 117.55 3hkz s ILE 9 Ca 0.00 -0.37 -0.21 0.00 -2.23 0.00 0.00 60.65 57.84 3hkz s ILE 9 Cb 0.00 -3.48 0.04 0.00 -1.58 0.00 0.00 42.46 37.43 3hkz s ILE 9 CO 0.00 0.02 0.70 -0.75 -1.23 0.00 0.00 174.94 173.68 3hkz s LYS 10 N 1.65 3.26 0.00 2.79 2.20 -1.26 -5.04 119.74 123.34 3hkz s LYS 10 Ca 0.05 -0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.20 3hkz s LYS 10 Cb -0.17 -4.00 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 3hkz s LYS 10 CO 0.08 -1.14 0.00 1.19 -0.36 0.00 0.00 175.35 175.11 3hkz n PHE 11 N 6.46 -2.91 0.00 4.03 3.72 -1.26 -5.10 117.46 122.40 3hkz n PHE 11 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3hkz n PHE 11 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 3hkz n PHE 11 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hkz n GLY 12 N 5.00 0.95 3.56 1.37 0.00 -1.26 -4.81 105.19 110.00 3hkz n GLY 12 Ca 0.00 -1.98 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 3hkz n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 13 N -1.38 5.12 0.33 -0.61 -1.09 0.16 -4.95 121.20 118.79 3hkz s ILE 13 Ca 0.00 0.26 -0.26 0.00 -2.23 0.00 0.00 60.65 58.42 3hkz s ILE 13 Cb 0.00 -3.84 -0.14 0.00 -1.58 0.00 0.00 42.46 36.90 3hkz s ILE 13 CO 0.00 -0.08 0.75 -0.11 -1.23 0.00 0.00 174.94 174.28 3hkz n LEU 14 N 5.48 0.66 -4.93 2.97 7.94 -1.26 -4.68 117.00 123.18 3hkz n LEU 14 Ca -0.08 1.06 -0.27 0.00 -1.11 0.00 0.00 56.01 55.62 3hkz n LEU 14 Cb 0.49 -1.17 -0.03 0.00 0.53 0.00 0.00 43.42 43.24 3hkz n LEU 14 CO 0.41 -2.23 0.04 -0.94 -1.11 0.00 0.00 177.39 173.56 3hkz s SER 15 N -0.79 6.38 -0.06 1.96 1.04 -1.26 -4.98 113.70 115.99 3hkz s SER 15 Ca 0.62 0.39 -0.26 0.00 0.48 0.00 0.00 55.95 57.18 3hkz s SER 15 Cb -0.69 -2.01 -0.21 0.00 0.10 0.00 0.00 66.02 63.21 3hkz s SER 15 CO 0.58 -0.07 1.06 1.55 0.98 0.00 0.00 173.24 177.35 3hkz h PRO 16 N 1.86 -0.04 0.00 4.02 0.13 -1.94 0.30 132.00 136.33 3hkz h PRO 16 Ca -0.48 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.62 3hkz h PRO 16 Cb 1.19 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3hkz h PRO 16 CO 0.67 0.57 -0.12 0.38 -0.23 0.00 0.00 178.00 179.26 3hkz h ASP 17 N -0.69 0.00 0.13 1.44 2.03 -2.00 -2.04 116.42 115.29 3hkz h ASP 17 Ca -0.00 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.14 3hkz h ASP 17 Cb 0.63 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.12 3hkz h ASP 17 CO 0.01 0.12 -0.56 -0.08 -1.03 0.00 0.00 179.24 177.70 3hkz h GLU 18 N 0.00 0.45 -0.18 4.15 4.81 -1.89 -2.17 114.58 119.75 3hkz h GLU 18 Ca -0.00 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 58.92 3hkz h GLU 18 Cb 0.31 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3hkz h GLU 18 CO 0.02 0.89 0.03 0.82 -0.73 0.00 0.00 179.01 180.04 3hkz h ILE 19 N 0.35 1.22 0.70 2.32 2.04 0.28 -2.81 117.51 121.60 3hkz h ILE 19 Ca 0.00 -0.72 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 3hkz h ILE 19 Cb 1.09 1.36 0.01 0.00 -0.74 0.00 0.00 36.82 38.53 3hkz h ILE 19 CO 0.10 0.22 -0.33 0.03 0.00 0.00 0.00 178.15 178.16 3hkz h ARG 20 N 0.09 -0.90 -0.79 2.37 3.08 -1.48 -1.13 114.38 115.62 3hkz h ARG 20 Ca 0.05 0.06 0.15 0.00 0.07 0.00 0.00 59.98 60.32 3hkz h ARG 20 Cb 0.31 0.20 -0.15 0.00 0.08 0.00 0.00 29.97 30.41 3hkz h ARG 20 CO 0.00 -0.60 -0.23 0.87 -1.07 0.00 0.00 179.97 178.94 3hkz h LYS 21 N -1.09 -0.02 -0.15 0.04 1.57 -1.51 0.11 116.57 115.52 3hkz h LYS 21 Ca -0.10 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3hkz h LYS 21 Cb 0.72 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 3hkz h LYS 21 CO 0.16 -0.01 -0.02 1.98 -0.57 0.00 0.00 179.45 180.99 3hkz h MET 22 N -0.02 0.03 -6.58 3.15 4.05 -1.54 -3.44 114.93 110.57 3hkz h MET 22 Ca 0.36 -0.00 -0.50 0.00 -0.28 0.00 0.00 59.70 59.29 3hkz h MET 22 Cb 0.58 -0.01 0.23 0.00 -0.80 0.00 0.00 31.60 31.61 3hkz h MET 22 CO -0.82 0.02 -1.14 0.45 0.23 0.00 0.00 176.91 175.64 3hkz n SER 23 N -5.14 -2.70 -0.18 1.39 2.88 0.37 -4.61 113.62 105.63 3hkz n SER 23 Ca -0.04 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 3hkz n SER 23 Cb 0.09 -0.98 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 3hkz n SER 23 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3hkz n VAL 24 N -3.84 0.12 -3.76 2.46 0.24 0.44 -4.93 118.33 109.05 3hkz n VAL 24 Ca 0.02 -0.13 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 3hkz n VAL 24 Cb 0.60 0.75 -0.09 0.00 -1.47 0.00 0.00 33.84 33.64 3hkz n VAL 24 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hkz s THR 25 N -0.15 0.06 -0.09 3.34 2.01 -1.26 -4.98 115.64 114.56 3hkz s THR 25 Ca 0.01 -0.47 0.15 0.00 0.31 0.00 0.00 61.69 61.70 3hkz s THR 25 Cb 0.01 -0.60 -0.15 0.00 0.01 0.00 0.00 72.50 71.77 3hkz s THR 25 CO 0.00 -0.26 0.85 0.00 -0.69 0.00 0.00 174.62 174.53 3hkz h ALA 26 N 3.95 0.67 -5.62 7.40 0.00 -1.92 -2.92 119.26 120.83 3hkz h ALA 26 Ca -0.30 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3hkz h ALA 26 Cb 1.18 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 3hkz h ALA 26 CO 0.40 1.07 -0.45 -0.89 0.00 0.00 0.00 179.25 179.38 3hkz n ILE 27 N -2.97 -4.46 -0.00 0.00 -0.00 -1.26 -4.45 119.36 106.22 3hkz n ILE 27 Ca -0.10 0.84 0.02 0.00 -0.00 0.00 0.00 62.75 63.51 3hkz n ILE 27 Cb 0.89 -3.59 -0.04 0.00 -0.00 0.00 0.00 39.64 36.90 3hkz n ILE 27 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 3hkz n ILE 28 N 2.26 0.02 -2.44 1.39 2.08 -1.26 -4.84 119.36 116.58 3hkz n ILE 28 Ca -0.11 -0.11 -0.41 0.00 0.56 0.00 0.00 62.75 62.68 3hkz n ILE 28 Cb 0.17 0.29 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 3hkz n ILE 28 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3hkz s THR 29 N -2.30 3.60 -0.58 1.39 2.01 -1.26 -4.94 115.64 113.56 3hkz s THR 29 Ca -0.02 1.44 0.02 0.00 0.31 0.00 0.00 61.69 63.44 3hkz s THR 29 Cb 0.03 -3.92 0.42 0.00 0.01 0.00 0.00 72.50 69.04 3hkz s THR 29 CO 0.19 0.27 1.61 -0.81 -0.69 0.00 0.00 174.62 175.19 3hkz n PRO 30 N 2.02 3.10 0.00 4.92 -0.05 -1.26 -4.85 135.00 138.88 3hkz n PRO 30 Ca 0.02 -3.87 0.00 0.00 -0.05 0.00 0.00 63.50 59.61 3hkz n PRO 30 Cb 0.45 -2.27 0.00 0.00 -0.05 0.00 0.00 33.50 31.63 3hkz n PRO 30 CO 0.00 0.00 0.00 -0.12 -0.05 0.00 0.00 175.50 175.33 3hkz n MET 45 N -0.65 0.00 -3.83 0.54 1.56 -1.26 -5.06 117.12 108.42 3hkz n MET 45 Ca 0.50 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.59 3hkz n MET 45 Cb 0.61 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.86 3hkz n MET 45 CO 0.00 0.00 0.00 0.16 -0.73 0.00 0.00 175.97 175.40 3hkz s ASP 46 N -4.00 4.96 0.00 6.12 1.47 -1.26 -4.59 116.67 119.36 3hkz s ASP 46 Ca 0.00 -2.61 0.00 0.00 1.18 0.00 0.00 52.55 51.12 3hkz s ASP 46 Cb 0.00 -1.77 0.00 0.00 -0.34 0.00 0.00 42.92 40.81 3hkz s ASP 46 CO 0.00 -0.38 0.00 -0.81 0.68 0.00 0.00 175.17 174.66 3hkz n PRO 47 N 3.75 0.00 -1.15 2.11 -0.04 -1.26 -4.81 135.00 133.60 3hkz n PRO 47 Ca 0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 3hkz n PRO 47 Cb 0.38 -0.49 0.16 0.00 -0.04 0.00 0.00 33.50 33.51 3hkz n PRO 47 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3hkz n ARG 48 N -2.99 2.19 -2.40 0.54 0.00 -1.26 -4.39 116.66 108.35 3hkz n ARG 48 Ca 0.00 -2.80 -0.35 0.00 -0.00 0.00 0.00 57.85 54.70 3hkz n ARG 48 Cb 0.49 -2.10 0.01 0.00 -0.00 0.00 0.00 32.46 30.86 3hkz n ARG 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 3hkz n LEU 49 N -1.00 6.27 -0.33 2.89 4.77 -1.26 -4.65 117.00 123.68 3hkz n LEU 49 Ca 0.56 -5.20 0.00 0.00 -0.03 0.00 0.00 56.01 51.33 3hkz n LEU 49 Cb 1.52 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3hkz n LEU 49 CO 0.58 2.05 -0.09 0.61 -1.33 0.00 0.00 177.39 179.21 3hkz n GLY 50 N -0.37 -3.51 3.36 -0.72 0.00 -1.26 -2.95 105.19 99.74 3hkz n GLY 50 Ca 0.45 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 45.18 3hkz n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 51 N -1.61 3.26 0.59 1.61 1.01 -1.26 -4.64 120.40 119.36 3hkz s VAL 51 Ca 0.00 -0.56 0.10 0.00 0.00 0.00 0.00 61.98 61.51 3hkz s VAL 51 Cb 0.00 -2.42 0.09 0.00 0.00 0.00 0.00 36.38 34.05 3hkz s VAL 51 CO 0.00 0.48 0.81 0.27 0.00 0.00 0.00 175.10 176.66 3hkz s ILE 52 N 0.80 2.10 0.39 2.22 -4.36 -1.26 -4.56 121.20 116.53 3hkz s ILE 52 Ca -0.03 -0.99 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 3hkz s ILE 52 Cb -0.15 -2.11 0.00 0.00 1.25 0.00 0.00 42.46 41.45 3hkz s ILE 52 CO 0.01 0.00 0.00 -0.62 0.24 0.00 0.00 174.94 174.57 3hkz n GLU 53 N -2.28 -2.89 -1.53 0.37 1.02 -1.26 -4.63 120.64 109.44 3hkz n GLU 53 Ca 0.16 2.21 -0.15 0.00 -0.02 0.00 0.00 57.16 59.37 3hkz n GLU 53 Cb 0.62 -2.69 -0.11 0.00 -0.02 0.00 0.00 31.44 29.24 3hkz n GLU 53 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3hkz n PRO 54 N -1.88 0.39 -3.53 3.49 -0.02 -1.26 -4.53 135.00 127.66 3hkz n PRO 54 Ca 0.00 -0.71 -0.23 0.00 -2.02 0.00 0.00 63.50 60.54 3hkz n PRO 54 Cb 0.23 -3.05 -0.14 0.00 -0.02 0.00 0.00 33.50 30.52 3hkz n PRO 54 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3hkz s GLY 55 N 8.03 0.22 0.00 -1.23 0.00 -1.26 -5.05 107.32 108.03 3hkz s GLY 55 Ca 0.99 -0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.33 3hkz s GLY 55 CO 0.20 2.08 0.00 -0.18 0.00 0.00 0.00 173.10 175.19 3hkz n GLN 56 N 5.29 0.00 -3.92 2.90 -0.06 -1.26 -4.56 117.38 115.76 3hkz n GLN 56 Ca -0.06 0.00 -0.01 0.00 -2.00 0.00 0.00 57.00 54.93 3hkz n GLN 56 Cb 0.47 0.00 0.02 0.00 -4.06 0.00 0.00 30.24 26.66 3hkz n GLN 56 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3hkz s LYS 57 N -1.98 0.97 0.00 3.69 -2.85 -1.26 -3.66 119.74 114.65 3hkz s LYS 57 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 3hkz s LYS 57 Cb 0.00 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 3hkz s LYS 57 CO 0.00 -0.45 0.00 0.00 0.10 0.00 0.00 175.35 175.00 3hkz n PRO 59 N 0.00 3.15 -1.23 0.00 -0.04 -1.26 -4.71 135.00 130.91 3hkz n PRO 59 Ca 0.00 -2.75 -0.08 0.00 -0.04 0.00 0.00 63.50 60.63 3hkz n PRO 59 Cb 0.00 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 3hkz n PRO 59 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3hkz n THR 60 N 1.10 0.00 0.83 0.52 5.66 -1.26 -4.91 114.28 116.22 3hkz n THR 60 Ca 0.53 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.66 3hkz n THR 60 Cb 0.45 -1.13 0.53 0.00 -1.55 0.00 0.00 70.33 68.63 3hkz n THR 60 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3hkz n GLY 62 N 1.23 0.54 3.60 0.00 0.00 -1.26 -4.96 105.19 104.35 3hkz n GLY 62 Ca 0.06 -0.63 -0.43 0.00 0.00 0.00 0.00 46.02 45.02 3hkz n GLY 62 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3hkz s ASN 63 N -2.64 6.03 0.00 1.61 0.02 -1.24 -4.63 114.94 114.09 3hkz s ASN 63 Ca 0.00 1.21 0.00 0.00 -1.02 0.00 0.00 52.86 53.05 3hkz s ASN 63 Cb 0.00 -2.53 0.00 0.00 0.02 0.00 0.00 41.25 38.74 3hkz s ASN 63 CO 0.00 -1.61 0.00 0.41 0.02 0.00 0.00 177.10 175.92 3hkz n THR 64 N 7.29 0.00 -2.46 1.60 -1.04 -1.26 -4.31 114.28 114.10 3hkz n THR 64 Ca 0.21 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.83 3hkz n THR 64 Cb 0.47 -0.46 -0.02 0.00 -1.82 0.00 0.00 70.33 68.50 3hkz n THR 64 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hkz s LEU 65 N 0.00 3.65 -0.78 -4.42 1.43 -1.26 -4.04 118.68 113.25 3hkz s LEU 65 Ca 0.00 -2.22 0.00 0.00 -1.03 0.00 0.00 54.13 50.88 3hkz s LEU 65 Cb 0.00 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.64 3hkz s LEU 65 CO 0.00 -1.61 0.00 0.61 0.23 0.00 0.00 176.35 175.58 3hkz n GLY 66 N 5.57 0.01 0.29 -3.19 0.00 -1.26 -4.81 105.19 101.79 3hkz n GLY 66 Ca 0.47 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.51 3hkz n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3hkz n ASN 67 N -1.01 0.77 -4.64 1.61 5.15 -1.26 -4.70 115.26 111.19 3hkz n ASN 67 Ca -0.09 -2.02 -0.43 0.00 -0.60 0.00 0.00 54.58 51.44 3hkz n ASN 67 Cb 0.46 -0.15 -0.02 0.00 -0.53 0.00 0.00 39.78 39.54 3hkz n ASN 67 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hkz h PRO 69 N 9.00 0.63 0.00 0.00 0.13 -1.96 -3.45 132.00 136.35 3hkz h PRO 69 Ca -0.27 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3hkz h PRO 69 Cb 1.10 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.09 3hkz h PRO 69 CO 1.01 0.42 0.00 0.41 -0.23 0.00 0.00 178.00 179.61 3hkz n GLY 70 N -1.32 3.13 3.35 1.56 0.00 -1.26 -4.83 105.19 105.81 3hkz n GLY 70 Ca 0.16 -1.11 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3hkz n GLY 70 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hkz s HIS 71 N 0.00 2.34 0.40 1.61 0.09 -1.26 -4.83 115.29 113.64 3hkz s HIS 71 Ca 0.00 -0.41 -0.12 0.00 -0.00 0.00 0.00 55.06 54.53 3hkz s HIS 71 Cb 0.00 -1.42 -0.07 0.00 -0.00 0.00 0.00 32.58 31.08 3hkz s HIS 71 CO 0.00 0.10 0.78 -0.06 -0.00 0.00 0.00 174.74 175.56 3hkz s PHE 72 N -0.77 3.44 0.32 1.40 0.08 -1.26 -4.30 117.98 116.90 3hkz s PHE 72 Ca 0.11 1.13 0.01 0.00 0.12 0.00 0.00 56.93 58.31 3hkz s PHE 72 Cb -0.10 -2.50 0.01 0.00 -0.57 0.00 0.00 43.02 39.86 3hkz s PHE 72 CO 0.01 -0.09 0.10 0.41 -0.10 0.00 0.00 175.22 175.55 3hkz n GLY 73 N -1.10 3.45 3.23 4.36 0.00 -0.52 -0.42 105.19 114.19 3hkz n GLY 73 Ca 0.03 -2.29 -0.13 0.00 0.00 0.00 0.00 46.02 43.64 3hkz n GLY 73 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hkz s HIS 74 N -1.96 -0.40 -0.17 1.61 -3.43 -1.10 -2.19 115.29 107.65 3hkz s HIS 74 Ca 0.07 0.96 0.16 0.00 -0.80 0.00 0.00 55.06 55.46 3hkz s HIS 74 Cb -0.01 0.14 -0.23 0.00 -1.43 0.00 0.00 32.58 31.05 3hkz s HIS 74 CO 0.05 -0.20 0.42 1.51 -2.00 0.00 0.00 174.74 174.51 3hkz n ILE 75 N 3.08 0.00 -2.82 -5.38 0.13 0.34 -4.28 119.36 110.43 3hkz n ILE 75 Ca -0.14 -0.32 -0.04 0.00 -1.10 0.00 0.00 62.75 61.15 3hkz n ILE 75 Cb 0.57 0.31 0.00 0.00 -0.84 0.00 0.00 39.64 39.68 3hkz n ILE 75 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 3hkz n GLU 76 N -1.92 -2.91 -2.46 9.51 4.07 -1.26 -4.92 120.64 120.74 3hkz n GLU 76 Ca -0.02 2.42 -0.38 0.00 -0.06 0.00 0.00 57.16 59.12 3hkz n GLU 76 Cb 0.38 -5.08 -0.04 0.00 -0.06 0.00 0.00 31.44 26.65 3hkz n GLU 76 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3hkz s LEU 77 N -1.92 4.27 0.00 4.31 1.43 -1.04 -4.97 118.68 120.76 3hkz s LEU 77 Ca 0.09 2.17 0.22 0.00 -1.03 0.00 0.00 54.13 55.58 3hkz s LEU 77 Cb -0.02 -3.99 0.01 0.00 0.03 0.00 0.00 46.19 42.22 3hkz s LEU 77 CO 0.73 -0.44 1.07 1.33 0.23 0.00 0.00 176.35 179.27 3hkz n VAL 78 N 0.31 0.00 -3.49 -1.59 0.24 -1.26 -4.75 118.33 107.79 3hkz n VAL 78 Ca 0.03 -0.30 -0.21 0.00 -2.04 0.00 0.00 64.34 61.82 3hkz n VAL 78 Cb 0.47 1.27 -0.13 0.00 -1.47 0.00 0.00 33.84 33.99 3hkz n VAL 78 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3hkz s ARG 79 N -2.32 0.21 -0.73 7.34 6.06 -1.26 -5.10 118.95 123.15 3hkz s ARG 79 Ca 0.19 -0.11 -0.12 0.00 -2.50 0.00 0.00 55.73 53.19 3hkz s ARG 79 Cb 0.17 -1.11 -0.22 0.00 0.06 0.00 0.00 34.95 33.85 3hkz s ARG 79 CO 0.51 -0.85 1.70 -2.30 -2.50 0.00 0.00 175.30 171.86 3hkz n PRO 80 N 5.30 0.00 -2.63 5.12 -0.02 -1.26 -4.89 135.00 136.62 3hkz n PRO 80 Ca -0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.06 3hkz n PRO 80 Cb 0.47 -0.85 -0.05 0.00 -0.02 0.00 0.00 33.50 33.05 3hkz n PRO 80 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hkz s VAL 81 N 2.02 3.87 -0.15 -1.45 -7.23 -0.97 -4.06 120.40 112.42 3hkz s VAL 81 Ca 0.98 1.59 -0.21 0.00 -1.81 0.00 0.00 61.98 62.53 3hkz s VAL 81 Cb -0.72 -3.89 -0.03 0.00 0.56 0.00 0.00 36.38 32.30 3hkz s VAL 81 CO 0.40 0.16 0.62 -0.51 -0.31 0.00 0.00 175.10 175.45 3hkz s ILE 82 N -1.52 5.06 -0.05 -0.62 1.10 -1.26 0.12 121.20 124.03 3hkz s ILE 82 Ca 0.51 1.20 -0.30 0.00 -0.51 0.00 0.00 60.65 61.56 3hkz s ILE 82 Cb -0.23 -3.94 -0.06 0.00 0.15 0.00 0.00 42.46 38.38 3hkz s ILE 82 CO 0.29 0.18 1.72 -2.28 -2.11 0.00 0.00 174.94 172.75 3hkz s HIS 83 N 1.42 1.83 0.30 3.50 5.65 -1.21 -4.87 115.29 121.91 3hkz s HIS 83 Ca 0.30 0.09 -0.02 0.00 0.25 0.00 0.00 55.06 55.68 3hkz s HIS 83 Cb -0.16 -3.98 0.45 0.00 -1.18 0.00 0.00 32.58 27.71 3hkz s HIS 83 CO 0.12 -4.15 1.96 -0.39 -0.65 0.00 0.00 174.74 171.63 3hkz h VAL 84 N 5.64 1.21 0.09 0.89 -1.51 -1.90 0.62 116.25 121.30 3hkz h VAL 84 Ca -0.41 -0.41 -0.21 0.00 -1.23 0.00 0.00 66.70 64.43 3hkz h VAL 84 Cb 1.19 0.06 0.02 0.00 -2.13 0.00 0.00 31.29 30.43 3hkz h VAL 84 CO 0.95 0.21 -0.89 1.23 -1.23 0.00 0.00 177.57 177.84 3hkz h GLY 85 N 1.09 0.49 1.56 5.19 0.00 -1.95 -3.28 103.07 106.17 3hkz h GLY 85 Ca 0.29 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.57 3hkz h GLY 85 CO -0.06 0.92 0.00 1.04 0.00 0.00 0.00 176.54 178.44 3hkz n LEU 86 N -4.05 0.00 -0.34 3.11 4.77 -0.95 -3.91 117.00 115.63 3hkz n LEU 86 Ca -0.13 0.28 0.18 0.00 -0.03 0.00 0.00 56.01 56.31 3hkz n LEU 86 Cb 0.83 -0.28 0.40 0.00 -2.33 0.00 0.00 43.42 42.04 3hkz n LEU 86 CO 0.51 -0.12 1.18 1.62 -1.33 0.00 0.00 177.39 179.25 3hkz h VAL 87 N 0.00 0.55 0.00 4.08 3.04 -0.95 -2.76 116.25 120.21 3hkz h VAL 87 Ca 0.00 -0.19 -0.07 0.00 -1.01 0.00 0.00 66.70 65.43 3hkz h VAL 87 Cb 0.16 -0.06 -0.01 0.00 -2.01 0.00 0.00 31.29 29.37 3hkz h VAL 87 CO 0.00 0.10 -0.32 0.11 -1.01 0.00 0.00 177.57 176.45 3hkz h LYS 88 N 0.56 0.00 0.02 4.17 1.79 -1.85 -0.08 116.57 121.19 3hkz h LYS 88 Ca 0.63 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.98 3hkz h LYS 88 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 3hkz h LYS 88 CO -0.43 0.32 -0.62 0.45 -1.08 0.00 0.00 179.45 178.09 3hkz h HIS 89 N 0.00 0.09 -0.83 -1.35 3.86 -1.81 -3.15 115.15 111.96 3hkz h HIS 89 Ca -0.00 -0.07 0.19 0.00 -1.16 0.00 0.00 60.37 59.33 3hkz h HIS 89 Cb 0.77 -0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.12 3hkz h HIS 89 CO 0.00 1.24 0.31 0.82 0.86 0.00 0.00 177.93 181.16 3hkz h ILE 90 N -0.87 0.51 -0.12 2.45 1.08 -1.46 0.87 117.51 119.97 3hkz h ILE 90 Ca -0.15 -0.13 0.03 0.00 -0.39 0.00 0.00 64.86 64.22 3hkz h ILE 90 Cb 1.23 0.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.09 3hkz h ILE 90 CO -0.05 0.07 0.09 0.22 -0.69 0.00 0.00 178.15 177.79 3hkz h TYR 91 N 0.37 0.00 0.00 1.37 5.03 -1.12 -3.10 116.97 119.52 3hkz h TYR 91 Ca 0.49 0.00 -0.37 0.00 2.58 0.00 0.00 58.73 61.43 3hkz h TYR 91 Cb 0.88 0.00 -0.07 0.00 1.55 0.00 0.00 36.73 39.09 3hkz h TYR 91 CO -0.19 0.00 -2.36 0.39 -1.32 0.00 0.00 178.16 174.68 3hkz n GLU 92 N -4.49 0.68 -0.29 1.82 1.02 0.99 -3.96 120.64 116.41 3hkz n GLU 92 Ca -0.00 0.02 0.04 0.00 -0.02 0.00 0.00 57.16 57.20 3hkz n GLU 92 Cb 0.21 -1.53 0.19 0.00 -0.02 0.00 0.00 31.44 30.28 3hkz n GLU 92 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3hkz h PHE 93 N 0.00 0.79 0.00 -0.32 -1.00 0.56 -0.38 116.94 116.58 3hkz h PHE 93 Ca -0.54 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.27 3hkz h PHE 93 Cb 2.21 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 41.54 3hkz h PHE 93 CO 0.00 0.26 0.00 -0.07 -1.61 0.00 0.00 178.31 176.90 3hkz h LEU 94 N 0.70 0.00 -0.15 1.54 3.38 -1.71 -2.64 115.31 116.43 3hkz h LEU 94 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3hkz h LEU 94 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hkz h LEU 94 CO -0.30 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.34 3hkz h LYS 95 N 0.00 0.00 0.00 1.13 1.57 -1.19 -3.42 116.57 114.66 3hkz h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hkz h LYS 95 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3hkz h LYS 95 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 3hkz n ALA 96 N -1.81 0.00 -1.40 3.86 0.00 -0.99 -3.10 120.51 117.07 3hkz n ALA 96 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 3hkz n ALA 96 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3hkz n ALA 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3hkz n THR 97 N 0.00 -4.63 0.20 0.00 -1.04 -1.25 -4.71 114.28 102.84 3hkz n THR 97 Ca 0.00 2.02 0.09 0.00 -2.04 0.00 0.00 64.05 64.12 3hkz n THR 97 Cb 0.00 -2.84 0.46 0.00 -1.82 0.00 0.00 70.33 66.13 3hkz n THR 97 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n ARG 99 N -2.22 0.00 0.00 0.00 1.74 -1.26 -4.50 116.66 110.42 3hkz n ARG 99 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3hkz n ARG 99 Cb 0.31 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3hkz n ARG 99 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3hkz n ARG 100 N -2.00 1.33 0.00 5.56 3.00 -1.26 -5.06 116.66 118.23 3hkz n ARG 100 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 3hkz n ARG 100 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 32.46 31.99 3hkz n ARG 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hkz n GLY 102 N 5.00 3.61 5.88 0.00 0.00 -1.26 -4.09 105.19 114.33 3hkz n GLY 102 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.39 3hkz n GLY 102 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3hkz n ARG 103 N 0.00 0.00 -2.71 1.61 1.85 -1.26 -0.56 116.66 115.60 3hkz n ARG 103 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 3hkz n ARG 103 Cb 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 32.46 31.46 3hkz n ARG 103 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 3hkz n VAL 104 N 0.00 -5.51 -1.49 8.89 0.31 -1.26 -4.01 118.33 115.26 3hkz n VAL 104 Ca 0.00 -0.70 0.00 0.00 -0.01 0.00 0.00 64.34 63.63 3hkz n VAL 104 Cb 0.00 -4.91 0.00 0.00 -0.91 0.00 0.00 33.84 28.02 3hkz n VAL 104 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3hkz n LYS 105 N -2.72 0.00 0.00 5.55 0.00 -1.26 -4.45 118.16 115.28 3hkz n LYS 105 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.22 3hkz n LYS 105 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 3hkz n LYS 105 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 3hkz n ILE 106 N 0.00 0.00 1.02 3.15 5.41 -1.26 -4.45 119.36 123.23 3hkz n ILE 106 Ca 0.00 0.00 0.11 0.00 1.00 0.00 0.00 62.75 63.86 3hkz n ILE 106 Cb 0.00 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 38.96 3hkz n ILE 106 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3hkz n SER 107 N 0.00 1.03 -0.34 4.38 7.64 -1.26 -4.15 113.62 120.92 3hkz n SER 107 Ca 0.00 -0.88 0.01 0.00 1.01 0.00 0.00 58.87 59.01 3hkz n SER 107 Cb 0.00 0.67 0.03 0.00 -1.01 0.00 0.00 64.21 63.90 3hkz n SER 107 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hkz n GLU 108 N -1.22 1.19 0.01 1.43 1.02 -1.26 -1.97 120.64 119.84 3hkz n GLU 108 Ca 0.06 -0.20 -0.17 0.00 -0.02 0.00 0.00 57.16 56.82 3hkz n GLU 108 Cb 0.35 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.41 3hkz n GLU 108 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hkz h ASP 109 N 0.29 0.87 0.36 1.62 5.19 -1.91 -2.74 116.42 120.09 3hkz h ASP 109 Ca 0.00 -0.62 -0.19 0.00 -0.62 0.00 0.00 57.03 55.60 3hkz h ASP 109 Cb 0.33 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.57 3hkz h ASP 109 CO 0.02 1.42 -0.79 -0.33 -3.12 0.00 0.00 179.24 176.43 3hkz h GLU 110 N 0.45 0.34 0.00 3.56 5.08 -1.72 -1.04 114.58 121.25 3hkz h GLU 110 Ca -0.08 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3hkz h GLU 110 Cb 1.52 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 3hkz h GLU 110 CO 0.17 0.97 -0.06 0.82 -1.00 0.00 0.00 179.01 179.91 3hkz h ILE 111 N 0.22 0.47 -0.68 3.13 5.03 -1.67 -2.67 117.51 121.33 3hkz h ILE 111 Ca -0.04 -0.30 -0.47 0.00 -0.12 0.00 0.00 64.86 63.93 3hkz h ILE 111 Cb 1.38 1.20 -0.29 0.00 -3.03 0.00 0.00 36.82 36.08 3hkz h ILE 111 CO 0.13 0.06 -0.17 -0.62 -0.68 0.00 0.00 178.15 176.87 3hkz n GLU 112 N -3.63 2.82 -0.00 2.37 1.02 -0.91 -4.45 120.64 117.86 3hkz n GLU 112 Ca -0.02 -3.65 0.03 0.00 -0.02 0.00 0.00 57.16 53.50 3hkz n GLU 112 Cb 0.17 -2.14 0.03 0.00 -0.02 0.00 0.00 31.44 29.48 3hkz n GLU 112 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hkz n LYS 113 N -0.89 -0.06 -0.10 3.49 5.02 -0.44 -4.02 118.16 121.16 3hkz n LYS 113 Ca 0.45 -0.88 -0.13 0.00 -2.02 0.00 0.00 58.31 55.73 3hkz n LYS 113 Cb 0.92 -1.11 -0.09 0.00 -0.02 0.00 0.00 35.03 34.73 3hkz n LYS 113 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hkz n TYR 114 N 0.30 0.00 -0.07 2.13 4.01 -1.26 -2.89 117.16 119.38 3hkz n TYR 114 Ca 0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.64 3hkz n TYR 114 Cb 0.15 -0.75 -0.06 0.00 -0.31 0.00 0.00 39.34 38.37 3hkz n TYR 114 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3hkz h SER 115 N 0.00 0.58 -0.37 7.72 4.64 -1.84 -1.68 113.55 122.61 3hkz h SER 115 Ca -0.44 -0.50 0.05 0.00 -0.47 0.00 0.00 61.79 60.43 3hkz h SER 115 Cb 1.69 -0.17 -0.08 0.00 -0.31 0.00 0.00 62.40 63.54 3hkz h SER 115 CO -0.06 0.97 -0.56 -0.09 -0.87 0.00 0.00 176.83 176.22 3hkz h ARG 116 N 0.21 -0.41 0.00 4.77 2.43 -1.74 -3.28 114.38 116.36 3hkz h ARG 116 Ca 0.02 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.14 3hkz h ARG 116 Cb 0.83 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 3hkz h ARG 116 CO 0.06 -0.27 -0.61 0.82 -1.51 0.00 0.00 179.97 178.46 3hkz h ILE 117 N -0.42 0.66 0.00 1.20 1.08 -1.65 -3.40 117.51 114.99 3hkz h ILE 117 Ca 0.07 -1.68 -0.12 0.00 -0.39 0.00 0.00 64.86 62.74 3hkz h ILE 117 Cb 0.60 1.43 -0.04 0.00 -3.07 0.00 0.00 36.82 35.75 3hkz h ILE 117 CO -0.57 0.23 -0.20 -1.22 -0.69 0.00 0.00 178.15 175.69 3hkz n TYR 118 N -4.57 0.00 -3.02 1.37 4.01 -0.63 -4.23 117.16 110.08 3hkz n TYR 118 Ca -0.16 -1.19 -0.16 0.00 -0.16 0.00 0.00 57.90 56.24 3hkz n TYR 118 Cb 0.41 -1.18 0.00 0.00 -0.31 0.00 0.00 39.34 38.27 3hkz n TYR 118 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3hkz n ASN 119 N 2.29 -0.53 -0.00 7.72 3.02 -1.24 -4.82 115.26 121.70 3hkz n ASN 119 Ca 0.27 -3.15 -0.07 0.00 -0.03 0.00 0.00 54.58 51.60 3hkz n ASN 119 Cb 0.70 0.30 -0.12 0.00 -0.61 0.00 0.00 39.78 40.05 3hkz n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkz h ALA 120 N 3.33 0.71 -1.01 5.41 0.00 -1.92 -3.41 119.26 122.37 3hkz h ALA 120 Ca 0.01 -1.28 0.00 0.00 0.00 0.00 0.00 54.91 53.65 3hkz h ALA 120 Cb 0.99 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3hkz h ALA 120 CO 0.38 1.41 0.00 -0.89 0.00 0.00 0.00 179.25 180.15 3hkz n ILE 121 N -3.05 0.00 -2.88 0.00 2.08 -1.26 -4.55 119.36 109.70 3hkz n ILE 121 Ca -0.13 1.33 -0.39 0.00 0.56 0.00 0.00 62.75 64.12 3hkz n ILE 121 Cb 0.99 -2.12 -0.06 0.00 -0.75 0.00 0.00 39.64 37.70 3hkz n ILE 121 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3hkz s LYS 122 N -2.33 4.63 0.00 0.38 3.01 -1.26 -4.97 119.74 119.20 3hkz s LYS 122 Ca 0.00 1.27 0.00 0.00 -1.01 0.00 0.00 55.97 56.23 3hkz s LYS 122 Cb 0.00 -3.14 0.00 0.00 -1.01 0.00 0.00 37.83 33.68 3hkz s LYS 122 CO 0.00 0.48 0.00 1.63 0.51 0.00 0.00 175.35 177.97 3hkz n LYS 123 N 1.26 2.63 0.11 1.68 5.02 -1.26 -4.68 118.16 122.92 3hkz n LYS 123 Ca -0.03 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.13 3hkz n LYS 123 Cb 0.49 -0.83 -0.08 0.00 -0.02 0.00 0.00 35.03 34.59 3hkz n LYS 123 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3hkz h ARG 124 N 0.00 -0.20 0.00 1.97 2.43 -1.96 -3.19 114.38 113.42 3hkz h ARG 124 Ca 0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3hkz h ARG 124 Cb 0.65 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 3hkz h ARG 124 CO 0.00 -0.07 -1.08 0.91 -1.51 0.00 0.00 179.97 178.22 3hkz n TRP 125 N -5.14 0.77 -0.26 2.20 8.01 -1.26 -3.61 117.44 118.14 3hkz n TRP 125 Ca -0.09 0.22 0.05 0.00 -1.31 0.00 0.00 57.50 56.38 3hkz n TRP 125 Cb 0.14 -0.84 0.19 0.00 -2.01 0.00 0.00 31.31 28.79 3hkz n TRP 125 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 3hkz h PRO 126 N 0.00 0.41 -0.50 -0.99 0.11 -1.83 0.52 132.00 129.72 3hkz h PRO 126 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 3hkz h PRO 126 Cb 0.95 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3hkz h PRO 126 CO 0.00 0.27 0.24 0.66 -0.21 0.00 0.00 178.00 178.97 3hkz h SER 127 N 0.43 0.62 0.59 -2.05 4.64 -1.61 0.22 113.55 116.39 3hkz h SER 127 Ca 0.42 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.55 3hkz h SER 127 Cb 0.65 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 3hkz h SER 127 CO -0.42 0.53 -0.64 0.00 -0.87 0.00 0.00 176.83 175.44 3hkz h ALA 128 N 1.57 0.92 -0.19 5.18 0.00 -1.38 -1.80 119.26 123.56 3hkz h ALA 128 Ca 0.18 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3hkz h ALA 128 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hkz h ALA 128 CO -0.02 0.79 -0.06 0.00 0.00 0.00 0.00 179.25 179.95 3hkz h ALA 129 N 1.32 0.26 -0.10 0.00 0.00 0.70 -1.45 119.26 120.00 3hkz h ALA 129 Ca -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.67 3hkz h ALA 129 Cb 1.13 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3hkz h ALA 129 CO 0.09 0.05 0.20 0.00 0.00 0.00 0.00 179.25 179.59 3hkz h ARG 130 N 0.08 0.00 0.00 0.00 3.08 -0.50 -2.84 114.38 114.20 3hkz h ARG 130 Ca 0.05 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 3hkz h ARG 130 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.55 3hkz h ARG 130 CO 0.02 0.00 -1.69 0.54 -1.07 0.00 0.00 179.97 177.77 3hkz n ARG 131 N -3.40 0.64 -0.39 0.04 1.74 -0.69 -3.81 116.66 110.80 3hkz n ARG 131 Ca -0.00 -0.04 0.01 0.00 -0.77 0.00 0.00 57.85 57.05 3hkz n ARG 131 Cb 0.30 -1.64 0.16 0.00 -1.02 0.00 0.00 32.46 30.25 3hkz n ARG 131 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hkz n LEU 132 N -2.50 3.16 -0.02 0.55 4.32 -0.57 -3.86 117.00 118.08 3hkz n LEU 132 Ca -0.06 -1.61 -0.07 0.00 -0.02 0.00 0.00 56.01 54.25 3hkz n LEU 132 Cb 0.65 -0.59 -0.02 0.00 -1.62 0.00 0.00 43.42 41.84 3hkz n LEU 132 CO 0.44 0.44 -0.48 0.41 -1.22 0.00 0.00 177.39 176.98 3hkz n THR 133 N 0.21 1.09 -0.32 -5.08 -1.04 -1.23 -4.68 114.28 103.23 3hkz n THR 133 Ca 0.13 0.14 0.17 0.00 -2.04 0.00 0.00 64.05 62.46 3hkz n THR 133 Cb 0.69 -1.81 0.42 0.00 -1.82 0.00 0.00 70.33 67.81 3hkz n THR 133 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3hkz h GLU 134 N -0.40 0.55 -0.92 -2.82 5.08 -1.69 -1.18 114.58 113.19 3hkz h GLU 134 Ca -0.10 -0.03 0.21 0.00 -1.00 0.00 0.00 59.36 58.44 3hkz h GLU 134 Cb 0.69 -0.12 -0.17 0.00 0.50 0.00 0.00 28.75 29.65 3hkz h GLU 134 CO -0.06 0.36 -0.13 0.66 -1.00 0.00 0.00 179.01 178.85 3hkz n TYR 135 N -4.68 0.44 0.66 4.33 4.01 -1.25 0.13 117.16 120.79 3hkz n TYR 135 Ca 0.23 1.12 0.11 0.00 -0.16 0.00 0.00 57.90 59.20 3hkz n TYR 135 Cb 0.70 -1.10 0.06 0.00 -0.31 0.00 0.00 39.34 38.69 3hkz n TYR 135 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3hkz n VAL 136 N -5.44 0.15 0.07 -0.72 3.14 -0.48 -2.16 118.33 112.90 3hkz n VAL 136 Ca 0.18 -0.19 -0.06 0.00 -2.96 0.00 0.00 64.34 61.31 3hkz n VAL 136 Cb 0.56 0.24 0.12 0.00 -1.06 0.00 0.00 33.84 33.70 3hkz n VAL 136 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3hkz h LYS 137 N 0.00 0.30 -0.15 1.45 1.57 -0.36 -2.82 116.57 116.56 3hkz h LYS 137 Ca 0.00 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.40 3hkz h LYS 137 Cb 0.68 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 3hkz h LYS 137 CO 0.00 0.79 -0.68 0.87 -0.57 0.00 0.00 179.45 179.86 3hkz h LYS 138 N 0.23 0.60 -0.66 3.15 1.57 -0.25 -3.26 116.57 117.94 3hkz h LYS 138 Ca -0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 3hkz h LYS 138 Cb 1.07 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.46 3hkz h LYS 138 CO 0.09 1.07 0.00 2.41 -0.57 0.00 0.00 179.45 182.45 3hkz n THR 139 N -3.91 0.48 -4.41 -0.16 -1.04 -0.92 -4.86 114.28 99.46 3hkz n THR 139 Ca -0.05 -0.28 -0.33 0.00 -2.04 0.00 0.00 64.05 61.35 3hkz n THR 139 Cb 0.68 -0.27 -0.15 0.00 -1.82 0.00 0.00 70.33 68.77 3hkz n THR 139 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz s ALA 140 N -1.52 2.48 -0.14 2.41 0.00 -1.07 -4.95 121.76 118.96 3hkz s ALA 140 Ca 0.12 -1.09 0.19 0.00 0.00 0.00 0.00 51.96 51.17 3hkz s ALA 140 Cb 0.08 -1.24 -0.27 0.00 0.00 0.00 0.00 23.12 21.68 3hkz s ALA 140 CO 0.05 -0.12 0.20 -0.12 0.00 0.00 0.00 175.76 175.76 3hkz n MET 141 N 4.23 0.72 0.00 0.00 1.56 -1.26 -4.89 117.12 117.47 3hkz n MET 141 Ca -0.19 -0.07 0.00 0.00 -0.27 0.00 0.00 57.70 57.17 3hkz n MET 141 Cb 0.51 -1.51 0.00 0.00 2.15 0.00 0.00 33.22 34.37 3hkz n MET 141 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 3hkz n LYS 142 N -2.58 0.00 0.00 2.12 5.02 -1.26 -3.54 118.16 117.92 3hkz n LYS 142 Ca -0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 3hkz n LYS 142 Cb 0.96 -0.03 0.00 0.00 -0.02 0.00 0.00 35.03 35.93 3hkz n LYS 142 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hkz n ALA 143 N -1.46 0.00 -0.00 7.82 0.00 -1.26 -3.19 120.51 122.42 3hkz n ALA 143 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 3hkz n ALA 143 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3hkz n ALA 143 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3hkz n GLN 144 N 0.00 0.10 -1.60 0.00 -0.06 -1.26 -4.79 117.38 109.76 3hkz n GLN 144 Ca 0.00 0.04 -0.02 0.00 -2.00 0.00 0.00 57.00 55.03 3hkz n GLN 144 Cb 0.00 -0.66 0.03 0.00 -4.06 0.00 0.00 30.24 25.54 3hkz n GLN 144 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3hkz n VAL 145 N -3.43 0.00 -3.33 1.69 3.14 -1.25 -5.16 118.33 109.99 3hkz n VAL 145 Ca -0.06 -0.29 -0.38 0.00 -2.96 0.00 0.00 64.34 60.65 3hkz n VAL 145 Cb 0.34 0.56 -0.06 0.00 -1.06 0.00 0.00 33.84 33.62 3hkz n VAL 145 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3hkz s PRO 147 N 0.40 4.00 0.85 0.00 0.05 -1.26 -4.70 135.00 134.34 3hkz s PRO 147 Ca 0.26 -2.30 0.00 0.00 0.05 0.00 0.00 61.00 59.01 3hkz s PRO 147 Cb -0.15 -5.19 0.00 0.00 0.05 0.00 0.00 34.50 29.21 3hkz s PRO 147 CO 0.11 -1.92 0.00 0.72 0.05 0.00 0.00 177.00 175.96 3hkz n HIS 148 N 6.60 -3.15 -3.99 0.56 8.25 -1.23 -4.99 115.22 117.26 3hkz n HIS 148 Ca 0.39 1.25 -0.10 0.00 -0.26 0.00 0.00 57.72 59.00 3hkz n HIS 148 Cb 0.44 -2.22 -0.11 0.00 1.12 0.00 0.00 29.99 29.22 3hkz n HIS 148 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkz n ASN 150 N 1.66 0.00 0.00 0.00 4.13 -1.26 -5.13 115.26 114.65 3hkz n ASN 150 Ca -0.23 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.03 3hkz n ASN 150 Cb 0.55 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.79 3hkz n ASN 150 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hkz n GLU 151 N 0.00 0.00 -1.81 3.52 -0.58 -1.26 -5.16 120.64 115.34 3hkz n GLU 151 Ca 0.00 0.00 -0.13 0.00 -0.42 0.00 0.00 57.16 56.61 3hkz n GLU 151 Cb 0.00 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 30.93 3hkz n GLU 151 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 3hkz n LYS 152 N 0.00 0.30 -0.04 3.49 -0.00 -1.26 -4.93 118.16 115.73 3hkz n LYS 152 Ca 0.00 -1.61 0.00 0.00 -0.00 0.00 0.00 58.31 56.70 3hkz n LYS 152 Cb 0.00 -0.34 0.00 0.00 -0.00 0.00 0.00 35.03 34.69 3hkz n LYS 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 3hkz n GLN 153 N -2.00 0.00 -4.30 -1.58 7.27 -1.26 -4.55 117.38 110.96 3hkz n GLN 153 Ca 0.09 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 56.98 3hkz n GLN 153 Cb 0.34 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.90 3hkz n GLN 153 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3hkz s TYR 154 N -1.34 1.62 0.86 3.69 2.02 -1.26 -5.13 117.35 117.82 3hkz s TYR 154 Ca 0.00 -1.52 -0.15 0.00 -0.37 0.00 0.00 57.07 55.03 3hkz s TYR 154 Cb 0.00 -0.76 -0.13 0.00 -0.40 0.00 0.00 41.96 40.67 3hkz s TYR 154 CO 0.00 -0.70 -0.68 1.63 -1.57 0.00 0.00 175.55 174.23 3hkz n LYS 155 N -0.58 0.00 -0.06 -0.62 4.01 -1.26 -5.08 118.16 114.57 3hkz n LYS 155 Ca 0.04 0.00 0.01 0.00 -0.51 0.00 0.00 58.31 57.85 3hkz n LYS 155 Cb 0.64 -0.89 0.04 0.00 -0.51 0.00 0.00 35.03 34.31 3hkz n LYS 155 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 3hkz n ILE 156 N -2.17 0.17 -3.64 -0.18 -5.35 -1.26 -5.17 119.36 101.76 3hkz n ILE 156 Ca -0.01 -0.14 -0.07 0.00 -0.27 0.00 0.00 62.75 62.26 3hkz n ILE 156 Cb 0.49 -0.02 -0.07 0.00 -1.74 0.00 0.00 39.64 38.31 3hkz n ILE 156 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 3hkz s LYS 174 N -1.77 0.70 0.58 6.28 1.02 -1.26 -4.90 119.74 120.39 3hkz s LYS 174 Ca 0.07 1.17 -0.02 0.00 0.02 0.00 0.00 55.97 57.21 3hkz s LYS 174 Cb 0.04 0.16 0.12 0.00 -0.52 0.00 0.00 37.83 37.63 3hkz s LYS 174 CO 0.04 -0.14 0.80 -0.11 -0.92 0.00 0.00 175.35 175.02 3hkz n LEU 175 N 4.13 0.00 -4.57 3.17 0.00 -1.26 -5.11 117.00 113.35 3hkz n LEU 175 Ca -0.19 -1.54 -0.33 0.00 0.00 0.00 0.00 56.01 53.94 3hkz n LEU 175 Cb 0.59 -0.53 -0.11 0.00 0.00 0.00 0.00 43.42 43.36 3hkz n LEU 175 CO -0.01 -0.92 -0.39 0.42 0.00 0.00 0.00 177.39 176.48 3hkz s THR 176 N -2.43 3.58 0.05 1.96 -4.23 -1.26 -5.07 115.64 108.24 3hkz s THR 176 Ca 0.52 -0.64 -0.30 0.00 -1.18 0.00 0.00 61.69 60.08 3hkz s THR 176 Cb -0.03 -2.50 -0.18 0.00 1.34 0.00 0.00 72.50 71.14 3hkz s THR 176 CO 0.34 0.51 1.47 -0.65 -0.54 0.00 0.00 174.62 175.75 3hkz h PRO 177 N 4.95 -0.77 0.00 3.99 0.11 -2.00 -1.71 132.00 136.58 3hkz h PRO 177 Ca -0.48 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hkz h PRO 177 Cb 1.17 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3hkz h PRO 177 CO 0.52 -0.47 0.00 -1.13 -0.21 0.00 0.00 178.00 176.71 3hkz n SER 178 N -5.39 0.00 -0.02 -2.05 3.41 -1.26 -1.12 113.62 107.20 3hkz n SER 178 Ca -0.12 -0.90 -0.11 0.00 -0.26 0.00 0.00 58.87 57.47 3hkz n SER 178 Cb 0.34 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.15 3hkz n SER 178 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hkz n ASP 179 N -0.93 1.11 -0.22 4.04 9.92 -1.01 -3.69 116.55 125.77 3hkz n ASP 179 Ca 0.16 0.38 -0.08 0.00 -0.53 0.00 0.00 54.79 54.73 3hkz n ASP 179 Cb 0.08 -0.22 0.03 0.00 -0.64 0.00 0.00 41.12 40.37 3hkz n ASP 179 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3hkz h ILE 180 N 0.01 1.25 -0.45 0.53 2.04 -0.20 0.39 117.51 121.08 3hkz h ILE 180 Ca -0.31 -0.89 -0.10 0.00 1.00 0.00 0.00 64.86 64.56 3hkz h ILE 180 Cb 2.02 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 3hkz h ILE 180 CO 0.08 0.33 -0.12 -0.09 0.00 0.00 0.00 178.15 178.35 3hkz h ARG 181 N 0.89 0.83 -0.71 2.37 2.43 -1.70 -2.22 114.38 116.26 3hkz h ARG 181 Ca 0.19 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.04 3hkz h ARG 181 Cb 0.33 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3hkz h ARG 181 CO -0.00 0.91 0.30 1.49 -1.51 0.00 0.00 179.97 181.16 3hkz h GLU 182 N 0.75 1.05 -0.03 0.20 4.81 -1.56 0.20 114.58 120.00 3hkz h GLU 182 Ca 0.12 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hkz h GLU 182 Cb 0.63 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.83 3hkz h GLU 182 CO 0.04 0.84 0.02 0.00 -0.73 0.00 0.00 179.01 179.19 3hkz h ARG 183 N 1.03 0.03 0.00 1.92 2.47 0.21 -3.28 114.38 116.75 3hkz h ARG 183 Ca 0.24 -0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.59 3hkz h ARG 183 Cb 0.18 -0.01 -0.07 0.00 -1.65 0.00 0.00 29.97 28.42 3hkz h ARG 183 CO -0.02 0.02 -2.40 1.28 0.56 0.00 0.00 179.97 179.40 3hkz n LEU 184 N -4.53 1.98 -0.42 3.04 4.77 -0.88 -4.47 117.00 116.49 3hkz n LEU 184 Ca -0.02 -0.09 0.32 0.00 -0.03 0.00 0.00 56.01 56.19 3hkz n LEU 184 Cb 0.10 -0.42 0.51 0.00 -2.33 0.00 0.00 43.42 41.27 3hkz n LEU 184 CO 0.34 0.78 0.92 -0.62 -1.33 0.00 0.00 177.39 177.48 3hkz n GLU 185 N -3.07 -0.01 0.00 3.23 1.02 0.67 -0.45 120.64 122.04 3hkz n GLU 185 Ca -0.40 0.75 0.12 0.00 -0.02 0.00 0.00 57.16 57.61 3hkz n GLU 185 Cb 1.03 -1.64 0.31 0.00 -0.02 0.00 0.00 31.44 31.12 3hkz n GLU 185 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3hkz n LYS 186 N -3.49 0.04 -2.59 3.49 5.02 -1.26 -4.82 118.16 114.54 3hkz n LYS 186 Ca 0.28 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 56.13 3hkz n LYS 186 Cb 1.24 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.72 3hkz n LYS 186 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3hkz s ILE 187 N -2.98 4.57 0.55 -0.18 1.01 0.40 -4.77 121.20 119.81 3hkz s ILE 187 Ca 0.12 1.86 -0.20 0.00 0.00 0.00 0.00 60.65 62.44 3hkz s ILE 187 Cb 0.18 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.40 3hkz s ILE 187 CO 0.67 -0.04 1.16 -2.84 0.00 0.00 0.00 174.94 173.89 3hkz s PRO 188 N 2.39 3.27 0.32 2.79 0.02 -1.26 -4.82 135.00 137.70 3hkz s PRO 188 Ca 0.50 1.70 0.02 0.00 0.02 0.00 0.00 61.00 63.24 3hkz s PRO 188 Cb -0.20 -2.01 0.58 0.00 0.02 0.00 0.00 34.50 32.88 3hkz s PRO 188 CO 0.17 -0.94 1.93 -0.44 -0.33 0.00 0.00 177.00 177.39 3hkz h ASP 189 N 1.17 0.85 0.28 2.53 3.45 -1.99 0.49 116.42 123.20 3hkz h ASP 189 Ca -0.50 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 56.87 3hkz h ASP 189 Cb 1.27 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.85 3hkz h ASP 189 CO 0.57 0.55 -0.38 0.77 -1.57 0.00 0.00 179.24 179.18 3hkz h SER 190 N 0.97 0.15 1.32 6.45 4.64 -2.01 -3.22 113.55 121.84 3hkz h SER 190 Ca 0.36 -0.05 -0.10 0.00 -0.47 0.00 0.00 61.79 61.52 3hkz h SER 190 Cb 0.19 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.22 3hkz h SER 190 CO -0.13 0.52 -0.71 0.44 -0.87 0.00 0.00 176.83 176.08 3hkz h ASP 191 N 0.12 0.00 -0.02 4.97 3.45 -1.10 -3.38 116.42 120.46 3hkz h ASP 191 Ca 0.01 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.46 3hkz h ASP 191 Cb 0.73 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.50 3hkz h ASP 191 CO 0.05 0.44 -0.05 0.58 -1.57 0.00 0.00 179.24 178.69 3hkz h VAL 192 N 0.00 1.48 -0.93 -1.35 2.07 -0.18 -3.33 116.25 114.01 3hkz h VAL 192 Ca -0.04 -1.49 0.20 0.00 0.82 0.00 0.00 66.70 66.19 3hkz h VAL 192 Cb 1.37 2.44 -0.18 0.00 -1.52 0.00 0.00 31.29 33.40 3hkz h VAL 192 CO 0.05 0.40 -0.17 -0.33 0.02 0.00 0.00 177.57 177.54 3hkz h GLU 193 N -0.53 0.01 0.00 1.57 5.08 -1.56 -3.15 114.58 116.00 3hkz h GLU 193 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3hkz h GLU 193 Cb 0.67 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3hkz h GLU 193 CO 0.01 0.01 0.01 -0.89 -1.00 0.00 0.00 179.01 177.14 3hkz n ILE 194 N -5.56 0.23 -0.02 3.13 5.41 -1.25 -0.75 119.36 120.54 3hkz n ILE 194 Ca 0.16 0.06 -0.01 0.00 1.00 0.00 0.00 62.75 63.96 3hkz n ILE 194 Cb 0.52 -1.06 -0.04 0.00 -0.71 0.00 0.00 39.64 38.35 3hkz n ILE 194 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3hkz n LEU 195 N -1.01 0.00 0.00 1.39 4.32 -1.19 -4.58 117.00 115.93 3hkz n LEU 195 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 3hkz n LEU 195 Cb 0.01 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 3hkz n LEU 195 CO 0.00 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 3hkz n GLY 196 N 2.61 0.68 3.21 -0.72 0.00 0.07 -4.53 105.19 106.51 3hkz n GLY 196 Ca -0.06 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.41 3hkz n GLY 196 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 197 N -0.55 -0.58 -0.41 1.61 1.51 -1.25 -5.08 117.35 112.61 3hkz s TYR 197 Ca 0.00 1.22 -0.16 0.00 -1.01 0.00 0.00 57.07 57.12 3hkz s TYR 197 Cb 0.00 0.21 0.02 0.00 -0.11 0.00 0.00 41.96 42.08 3hkz s TYR 197 CO 0.00 -0.35 0.39 0.34 -1.11 0.00 0.00 175.55 174.82 3hkz s ASP 198 N 1.67 6.17 1.34 2.29 3.68 -1.26 -2.91 116.67 127.64 3hkz s ASP 198 Ca -0.07 -0.71 -0.22 0.00 2.13 0.00 0.00 52.55 53.67 3hkz s ASP 198 Cb -0.10 -2.20 0.34 0.00 -1.45 0.00 0.00 42.92 39.51 3hkz s ASP 198 CO -0.12 -0.52 1.02 -2.16 0.13 0.00 0.00 175.17 173.52 3hkz s PRO 199 N 1.99 -2.31 0.00 4.34 0.04 -1.16 -0.67 135.00 137.22 3hkz s PRO 199 Ca 0.10 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.08 3hkz s PRO 199 Cb -0.18 -1.47 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3hkz s PRO 199 CO 0.12 -4.43 0.00 0.25 0.04 0.00 0.00 177.00 172.98 3hkz n THR 200 N -5.28 0.00 0.00 1.26 -2.24 -1.26 -4.17 114.28 102.59 3hkz n THR 200 Ca 0.14 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.92 3hkz n THR 200 Cb 0.60 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.62 3hkz n THR 200 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3hkz n THR 201 N -2.00 0.00 -3.59 4.28 -2.24 -1.22 -5.07 114.28 104.45 3hkz n THR 201 Ca 0.00 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.51 3hkz n THR 201 Cb 0.00 -0.07 -0.16 0.00 -2.10 0.00 0.00 70.33 68.00 3hkz n THR 201 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hkz s SER 202 N -1.60 2.64 -0.01 3.42 0.15 0.15 0.38 113.70 118.83 3hkz s SER 202 Ca 0.00 -0.79 0.05 0.00 0.70 0.00 0.00 55.95 55.91 3hkz s SER 202 Cb 0.00 -0.25 -0.01 0.00 -1.71 0.00 0.00 66.02 64.05 3hkz s SER 202 CO 0.00 -0.37 -0.16 0.00 1.20 0.00 0.00 173.24 173.90 3hkz s ARG 203 N 2.14 1.35 0.46 5.44 3.03 -1.26 -2.98 118.95 127.12 3hkz s ARG 203 Ca 0.04 -0.58 0.32 0.00 2.03 0.00 0.00 55.73 57.53 3hkz s ARG 203 Cb -0.16 -1.29 1.49 0.00 -1.03 0.00 0.00 34.95 33.96 3hkz s ARG 203 CO -0.17 0.35 1.95 -1.00 -1.13 0.00 0.00 175.30 175.29 3hkz h PRO 204 N 5.77 0.00 -0.24 3.89 0.13 -1.94 -1.23 132.00 138.37 3hkz h PRO 204 Ca -0.36 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.84 3hkz h PRO 204 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3hkz h PRO 204 CO 0.48 0.00 0.24 0.93 -0.23 0.00 0.00 178.00 179.42 3hkz h GLU 205 N 0.00 0.00 0.00 0.86 5.08 -1.88 -3.28 114.58 115.36 3hkz h GLU 205 Ca 0.00 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.06 3hkz h GLU 205 Cb 0.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 3hkz h GLU 205 CO 0.00 0.00 -2.07 1.87 -1.00 0.00 0.00 179.01 177.81 3hkz n TRP 206 N -3.93 0.00 0.00 4.33 -0.00 -0.48 -4.67 117.44 112.69 3hkz n TRP 206 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 3hkz n TRP 206 Cb 0.38 -0.70 0.00 0.00 -0.00 0.00 0.00 31.31 30.99 3hkz n TRP 206 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.69 176.36 3hkz n MET 207 N -3.50 0.00 -3.64 5.87 2.81 -1.10 -3.63 117.12 113.93 3hkz n MET 207 Ca -0.36 0.00 -0.40 0.00 -1.81 0.00 0.00 57.70 55.14 3hkz n MET 207 Cb 0.80 -1.61 -0.11 0.00 -0.71 0.00 0.00 33.22 31.60 3hkz n MET 207 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 3hkz s ILE 208 N -1.22 4.29 -0.37 2.02 1.09 -1.26 -3.33 121.20 122.41 3hkz s ILE 208 Ca 0.00 -1.06 -0.38 0.00 -1.10 0.00 0.00 60.65 58.11 3hkz s ILE 208 Cb 0.00 -3.46 -0.14 0.00 -1.06 0.00 0.00 42.46 37.80 3hkz s ILE 208 CO 0.00 -0.29 2.11 0.18 -0.10 0.00 0.00 174.94 176.84 3hkz n LEU 209 N 4.93 1.86 -0.08 2.97 4.77 0.32 -4.74 117.00 127.04 3hkz n LEU 209 Ca -0.12 0.58 -0.21 0.00 -0.03 0.00 0.00 56.01 56.23 3hkz n LEU 209 Cb 0.45 -1.16 -0.12 0.00 -2.33 0.00 0.00 43.42 40.26 3hkz n LEU 209 CO 0.36 -0.69 -0.50 0.74 -1.33 0.00 0.00 177.39 175.97 3hkz h THR 210 N 6.77 0.94 -3.89 -5.08 2.02 -1.83 -2.58 112.91 109.25 3hkz h THR 210 Ca -0.26 -2.23 -0.48 0.00 0.77 0.00 0.00 66.41 64.20 3hkz h THR 210 Cb 1.34 2.38 -0.31 0.00 -1.74 0.00 0.00 68.15 69.82 3hkz h THR 210 CO 1.03 0.45 -0.81 -0.69 0.37 0.00 0.00 175.52 175.87 3hkz s VAL 211 N -2.39 1.05 -0.19 3.16 1.01 -1.26 -2.49 120.40 119.28 3hkz s VAL 211 Ca -0.26 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.18 3hkz s VAL 211 Cb 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.52 3hkz s VAL 211 CO 0.64 0.31 -0.08 -0.22 0.00 0.00 0.00 175.10 175.75 3hkz s LEU 212 N 0.08 2.77 0.20 3.92 2.96 -1.26 -4.93 118.68 122.42 3hkz s LEU 212 Ca -0.02 -0.40 -0.30 0.00 -0.22 0.00 0.00 54.13 53.19 3hkz s LEU 212 Cb -0.09 -1.68 -0.08 0.00 0.50 0.00 0.00 46.19 44.84 3hkz s LEU 212 CO 0.01 0.03 0.99 -2.16 -1.32 0.00 0.00 176.35 173.90 3hkz s PRO 213 N 1.16 4.75 -0.76 0.98 0.04 -1.26 -0.50 135.00 139.41 3hkz s PRO 213 Ca 0.02 1.54 -0.18 0.00 0.04 0.00 0.00 61.00 62.43 3hkz s PRO 213 Cb -0.14 -3.30 0.14 0.00 0.04 0.00 0.00 34.50 31.24 3hkz s PRO 213 CO -0.02 0.33 0.85 0.08 0.04 0.00 0.00 177.00 178.28 3hkz s VAL 214 N -0.69 5.00 0.30 -0.36 1.01 -0.93 -4.89 120.40 119.84 3hkz s VAL 214 Ca 0.44 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 3hkz s VAL 214 Cb -0.26 -4.57 -0.10 0.00 0.00 0.00 0.00 36.38 31.44 3hkz s VAL 214 CO 0.33 -1.22 1.40 -2.16 0.00 0.00 0.00 175.10 173.45 3hkz s PRO 215 N 2.02 4.27 1.08 2.72 0.04 -1.26 -1.44 135.00 142.44 3hkz s PRO 215 Ca 0.19 2.32 -0.20 0.00 0.04 0.00 0.00 61.00 63.35 3hkz s PRO 215 Cb -0.15 -3.07 0.04 0.00 0.04 0.00 0.00 34.50 31.36 3hkz s PRO 215 CO -0.02 -0.35 -0.27 -0.35 0.04 0.00 0.00 177.00 176.04 3hkz n PRO 216 N 1.39 -1.18 0.18 0.56 -0.04 -1.26 -4.91 135.00 129.74 3hkz n PRO 216 Ca 0.03 -0.33 0.03 0.00 -0.04 0.00 0.00 63.50 63.19 3hkz n PRO 216 Cb 0.41 -1.57 0.32 0.00 -0.04 0.00 0.00 33.50 32.62 3hkz n PRO 216 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3hkz h ILE 217 N -1.81 1.15 0.00 0.52 5.03 -1.79 -3.15 117.51 117.46 3hkz h ILE 217 Ca -0.50 -1.56 0.00 0.00 -0.12 0.00 0.00 64.86 62.68 3hkz h ILE 217 Cb 1.36 1.88 0.00 0.00 -3.03 0.00 0.00 36.82 37.03 3hkz h ILE 217 CO 0.35 0.42 0.02 0.41 -0.68 0.00 0.00 178.15 178.67 3hkz n THR 218 N -3.79 0.23 -1.27 -0.27 -1.04 -1.26 0.16 114.28 107.04 3hkz n THR 218 Ca -0.01 0.08 0.02 0.00 -2.04 0.00 0.00 64.05 62.10 3hkz n THR 218 Cb 0.49 -1.08 0.03 0.00 -1.82 0.00 0.00 70.33 67.95 3hkz n THR 218 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 3hkz n ILE 219 N -0.95 0.55 -2.70 12.58 -5.35 -1.19 -4.88 119.36 117.43 3hkz n ILE 219 Ca 0.00 -0.63 -0.04 0.00 -0.27 0.00 0.00 62.75 61.81 3hkz n ILE 219 Cb 0.02 0.46 0.11 0.00 -1.74 0.00 0.00 39.64 38.50 3hkz n ILE 219 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 3hkz n ARG 220 N -0.38 1.35 -2.20 6.28 1.85 0.42 -4.99 116.66 118.98 3hkz n ARG 220 Ca 0.03 -1.74 -0.27 0.00 -1.00 0.00 0.00 57.85 54.88 3hkz n ARG 220 Cb 0.57 -0.01 0.16 0.00 -1.05 0.00 0.00 32.46 32.13 3hkz n ARG 220 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 3hkz s PRO 221 N -0.44 1.02 0.47 2.89 0.04 -0.93 -4.16 135.00 133.88 3hkz s PRO 221 Ca 0.16 -0.72 0.02 0.00 0.04 0.00 0.00 61.00 60.50 3hkz s PRO 221 Cb 0.42 -2.04 0.02 0.00 0.04 0.00 0.00 34.50 32.95 3hkz s PRO 221 CO -0.10 -2.05 0.20 0.45 0.04 0.00 0.00 177.00 175.54 3hkz n SER 222 N -3.40 2.86 -3.56 6.66 2.88 -1.26 -4.10 113.62 113.69 3hkz n SER 222 Ca 0.15 -2.80 -0.14 0.00 -1.33 0.00 0.00 58.87 54.75 3hkz n SER 222 Cb 0.60 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 64.18 3hkz n SER 222 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 3hkz n GLU 232 N -1.39 1.04 -2.28 -1.46 4.07 -1.26 -5.27 120.64 114.09 3hkz n GLU 232 Ca -0.09 -1.89 -0.40 0.00 -0.06 0.00 0.00 57.16 54.71 3hkz n GLU 232 Cb 0.56 0.20 -0.03 0.00 -0.06 0.00 0.00 31.44 32.10 3hkz n GLU 232 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3hkz s ASP 233 N -2.78 6.98 0.23 4.31 3.68 -1.26 -4.95 116.67 122.89 3hkz s ASP 233 Ca 0.17 2.49 -0.07 0.00 2.13 0.00 0.00 52.55 57.28 3hkz s ASP 233 Cb -0.01 -2.64 0.25 0.00 -1.45 0.00 0.00 42.92 39.07 3hkz s ASP 233 CO 0.11 -0.36 1.88 0.44 0.13 0.00 0.00 175.17 177.36 3hkz h ASP 234 N 3.55 0.91 0.00 -0.34 3.32 -1.93 0.14 116.42 122.06 3hkz h ASP 234 Ca -0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.56 3hkz h ASP 234 Cb 1.22 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3hkz h ASP 234 CO 0.66 0.63 0.04 0.18 -1.72 0.00 0.00 179.24 179.03 3hkz n LEU 235 N -4.55 0.00 -0.03 1.55 4.77 -1.26 -0.48 117.00 117.00 3hkz n LEU 235 Ca 0.10 0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 56.13 3hkz n LEU 235 Cb 0.09 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.06 3hkz n LEU 235 CO 0.34 -0.08 -0.69 0.41 -1.33 0.00 0.00 177.39 176.05 3hkz n THR 236 N -0.95 0.37 0.00 -5.08 -1.04 -0.02 -4.53 114.28 103.03 3hkz n THR 236 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3hkz n THR 236 Cb 0.04 -0.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 3hkz n THR 236 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3hkz n HIS 237 N -2.34 0.00 0.74 -1.42 8.25 0.36 -1.82 115.22 118.99 3hkz n HIS 237 Ca -0.10 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.43 3hkz n HIS 237 Cb 0.66 -0.22 0.37 0.00 1.12 0.00 0.00 29.99 31.92 3hkz n HIS 237 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3hkz n LYS 238 N -1.21 0.29 -0.13 -0.41 -0.00 -1.19 0.11 118.16 115.61 3hkz n LYS 238 Ca 0.00 0.10 -0.12 0.00 -0.00 0.00 0.00 58.31 58.29 3hkz n LYS 238 Cb 0.00 -1.50 -0.02 0.00 -0.00 0.00 0.00 35.03 33.51 3hkz n LYS 238 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3hkz h LEU 239 N 0.00 0.81 0.03 -5.58 7.12 -1.74 -3.12 115.31 112.84 3hkz h LEU 239 Ca 0.00 -0.39 -0.27 0.00 0.13 0.00 0.00 57.88 57.35 3hkz h LEU 239 Cb 0.08 -0.22 0.02 0.00 -0.53 0.00 0.00 40.66 40.01 3hkz h LEU 239 CO 0.00 1.02 -1.07 0.58 -0.13 0.00 0.00 178.44 178.85 3hkz h VAL 240 N 0.60 1.29 0.00 1.05 2.07 0.45 -3.14 116.25 118.57 3hkz h VAL 240 Ca 0.09 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.32 3hkz h VAL 240 Cb 0.70 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 3hkz h VAL 240 CO 0.05 0.70 0.04 0.44 0.02 0.00 0.00 177.57 178.83 3hkz h ASP 241 N 0.32 0.00 0.36 0.57 3.32 -1.51 -1.42 116.42 118.06 3hkz h ASP 241 Ca -0.14 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.89 3hkz h ASP 241 Cb 1.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.28 3hkz h ASP 241 CO 0.21 0.00 -0.17 0.40 -1.72 0.00 0.00 179.24 177.95 3hkz h ILE 242 N 0.00 0.00 -0.08 0.35 2.04 -1.49 -3.29 117.51 115.04 3hkz h ILE 242 Ca 0.00 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 3hkz h ILE 242 Cb 0.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.16 3hkz h ILE 242 CO 0.00 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.62 3hkz h VAL 243 N -0.59 1.13 -0.09 1.67 2.07 -1.36 0.13 116.25 119.21 3hkz h VAL 243 Ca -0.05 -0.58 0.01 0.00 0.82 0.00 0.00 66.70 66.91 3hkz h VAL 243 Cb 0.37 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3hkz h VAL 243 CO 0.08 0.17 0.01 -0.09 0.02 0.00 0.00 177.57 177.76 3hkz h ARG 244 N 0.11 0.04 -0.07 1.57 2.43 -1.51 0.80 114.38 117.75 3hkz h ARG 244 Ca 0.02 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.04 3hkz h ARG 244 Cb 0.28 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3hkz h ARG 244 CO 0.02 0.03 -0.61 0.82 -1.51 0.00 0.00 179.97 178.71 3hkz h ILE 245 N 0.04 1.39 -0.20 1.20 2.04 -1.50 -2.79 117.51 117.69 3hkz h ILE 245 Ca 0.04 -1.99 -0.19 0.00 1.00 0.00 0.00 64.86 63.72 3hkz h ILE 245 Cb 0.04 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.13 3hkz h ILE 245 CO -0.07 0.59 -0.64 -1.13 0.00 0.00 0.00 178.15 176.90 3hkz h ASN 246 N 0.18 0.83 1.86 1.72 -0.73 -0.51 -2.65 115.58 116.28 3hkz h ASN 246 Ca -0.01 -0.49 0.00 0.00 1.87 0.00 0.00 56.30 57.68 3hkz h ASN 246 Cb 1.12 -0.24 0.00 0.00 0.27 0.00 0.00 38.32 39.47 3hkz h ASN 246 CO 0.10 1.26 -0.03 -0.08 -0.37 0.00 0.00 177.43 178.30 3hkz h GLU 247 N 0.53 0.00 -0.00 6.67 4.81 -0.97 -3.22 114.58 122.40 3hkz h GLU 247 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3hkz h GLU 247 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3hkz h GLU 247 CO 0.13 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.95 3hkz n ARG 248 N -2.91 0.76 0.00 1.92 1.74 -1.00 -2.87 116.66 114.30 3hkz n ARG 248 Ca 0.04 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3hkz n ARG 248 Cb 0.51 -1.00 0.00 0.00 -1.02 0.00 0.00 32.46 30.95 3hkz n ARG 248 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3hkz n LEU 249 N -0.50 0.97 0.00 0.55 4.77 -1.19 -3.91 117.00 117.69 3hkz n LEU 249 Ca 0.00 -0.97 0.10 0.00 -0.03 0.00 0.00 56.01 55.12 3hkz n LEU 249 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 3hkz n LEU 249 CO 0.00 0.24 -0.10 0.29 -1.33 0.00 0.00 177.39 176.49 3hkz n LYS 250 N -0.22 0.11 0.07 3.23 5.02 -1.14 -3.79 118.16 121.43 3hkz n LYS 250 Ca 0.00 -0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.23 3hkz n LYS 250 Cb 0.32 -1.51 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3hkz n LYS 250 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3hkz h GLU 251 N 0.00 0.00 0.04 1.97 5.08 -1.70 -2.88 114.58 117.09 3hkz h GLU 251 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 3hkz h GLU 251 Cb 0.58 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3hkz h GLU 251 CO 0.00 0.70 -2.32 -1.13 -1.00 0.00 0.00 179.01 175.26 3hkz n SER 252 N -3.21 2.02 -0.18 1.42 3.41 -1.25 -4.31 113.62 111.52 3hkz n SER 252 Ca -0.03 -0.01 -0.08 0.00 -0.26 0.00 0.00 58.87 58.49 3hkz n SER 252 Cb 0.89 -0.57 0.02 0.00 -0.26 0.00 0.00 64.21 64.29 3hkz n SER 252 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3hkz h ILE 253 N -0.02 1.19 -0.44 -1.33 1.08 -1.71 -2.99 117.51 113.30 3hkz h ILE 253 Ca -0.53 -0.55 0.00 0.00 -0.39 0.00 0.00 64.86 63.39 3hkz h ILE 253 Cb 1.93 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.28 3hkz h ILE 253 CO -0.04 0.22 0.00 0.47 -0.69 0.00 0.00 178.15 178.10 3hkz n ASP 254 N -4.60 4.24 0.00 1.72 8.00 -1.09 -4.78 116.55 120.05 3hkz n ASP 254 Ca 0.02 -2.58 0.00 0.00 0.71 0.00 0.00 54.79 52.94 3hkz n ASP 254 Cb 0.12 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 40.62 3hkz n ASP 254 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hkz n ALA 255 N 0.55 0.00 -3.22 2.24 0.00 -1.21 -5.03 120.51 113.83 3hkz n ALA 255 Ca 0.20 0.00 -0.46 0.00 0.00 0.00 0.00 53.44 53.18 3hkz n ALA 255 Cb 0.87 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.30 3hkz n ALA 255 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3hkz s GLY 256 N 0.00 2.41 -0.65 0.00 0.00 -1.24 -5.01 107.32 102.82 3hkz s GLY 256 Ca 0.00 -3.08 -0.16 0.00 0.00 0.00 0.00 44.72 41.48 3hkz s GLY 256 CO 0.00 1.45 0.64 0.00 0.00 0.00 0.00 173.10 175.19 3hkz s ALA 257 N 0.99 3.72 -1.04 3.20 0.00 -1.13 -4.85 121.76 122.65 3hkz s ALA 257 Ca 0.20 -2.72 -0.21 0.00 0.00 0.00 0.00 51.96 49.23 3hkz s ALA 257 Cb -0.11 -3.42 0.08 0.00 0.00 0.00 0.00 23.12 19.68 3hkz s ALA 257 CO -0.07 -2.19 1.39 -2.14 0.00 0.00 0.00 175.76 172.74 3hkz s PRO 258 N 1.42 3.67 0.00 0.00 0.02 -1.26 -4.89 135.00 133.96 3hkz s PRO 258 Ca 0.10 -1.51 0.00 0.00 0.02 0.00 0.00 61.00 59.61 3hkz s PRO 258 Cb -0.22 -5.23 0.00 0.00 0.02 0.00 0.00 34.50 29.07 3hkz s PRO 258 CO -0.00 -2.06 0.77 0.00 -0.33 0.00 0.00 177.00 175.37 3hkz n GLN 259 N 7.92 0.80 -0.00 5.54 10.64 -1.26 -1.03 117.38 140.00 3hkz n GLN 259 Ca 0.32 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.50 3hkz n GLN 259 Cb 0.49 -1.13 -0.01 0.00 -0.86 0.00 0.00 30.24 28.74 3hkz n GLN 259 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3hkz n LEU 260 N 0.56 0.01 -0.06 2.61 4.77 -1.26 -4.66 117.00 118.96 3hkz n LEU 260 Ca 0.00 -0.09 0.03 0.00 -0.03 0.00 0.00 56.01 55.93 3hkz n LEU 260 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 3hkz n LEU 260 CO 0.00 0.00 0.05 -0.38 -1.33 0.00 0.00 177.39 175.74 3hkz n ILE 261 N -1.45 0.00 0.51 -0.08 5.41 -0.35 -4.55 119.36 118.85 3hkz n ILE 261 Ca -0.00 -0.36 0.13 0.00 1.00 0.00 0.00 62.75 63.51 3hkz n ILE 261 Cb 0.03 1.03 0.45 0.00 -0.71 0.00 0.00 39.64 40.44 3hkz n ILE 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hkz n ILE 262 N -0.88 0.71 1.82 1.39 3.06 -0.20 -3.13 119.36 122.13 3hkz n ILE 262 Ca 0.02 -0.04 0.07 0.00 -2.50 0.00 0.00 62.75 60.30 3hkz n ILE 262 Cb 0.13 -0.87 0.37 0.00 0.54 0.00 0.00 39.64 39.81 3hkz n ILE 262 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 3hkz n GLU 263 N -2.27 1.16 0.07 9.51 1.02 -1.26 -2.48 120.64 126.38 3hkz n GLU 263 Ca 0.04 -0.24 0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3hkz n GLU 263 Cb 0.34 -1.23 0.17 0.00 -0.02 0.00 0.00 31.44 30.69 3hkz n GLU 263 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3hkz h ASP 264 N 0.45 0.00 0.00 1.62 3.45 -1.88 -3.32 116.42 116.74 3hkz h ASP 264 Ca 0.00 -0.19 -0.39 0.00 0.43 0.00 0.00 57.03 56.88 3hkz h ASP 264 Cb 0.10 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 38.80 3hkz h ASP 264 CO 0.00 0.10 -2.42 0.18 -1.57 0.00 0.00 179.24 175.53 3hkz n LEU 265 N -2.16 2.72 0.24 1.55 4.77 -1.04 -3.74 117.00 119.34 3hkz n LEU 265 Ca 0.03 -0.03 0.09 0.00 -0.03 0.00 0.00 56.01 56.08 3hkz n LEU 265 Cb 0.45 -0.84 0.58 0.00 -2.33 0.00 0.00 43.42 41.28 3hkz n LEU 265 CO 0.36 0.83 0.88 -0.50 -1.33 0.00 0.00 177.39 177.64 3hkz h TRP 266 N -0.22 0.00 -0.02 -1.77 4.06 -1.76 -0.53 115.95 115.71 3hkz h TRP 266 Ca -0.58 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.23 3hkz h TRP 266 Cb 1.79 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.93 3hkz h TRP 266 CO 0.00 0.20 -0.67 -0.44 -3.56 0.00 0.00 178.44 173.97 3hkz h ASP 267 N 0.00 0.09 0.14 -3.49 5.19 -1.77 -3.14 116.42 113.43 3hkz h ASP 267 Ca -0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 3hkz h ASP 267 Cb 0.47 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.95 3hkz h ASP 267 CO 0.03 0.73 0.00 0.18 -3.12 0.00 0.00 179.24 177.06 3hkz n LEU 268 N -3.77 0.00 0.09 1.55 4.77 -0.23 -1.13 117.00 118.29 3hkz n LEU 268 Ca -0.02 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 3hkz n LEU 268 Cb 0.66 -0.09 0.02 0.00 -2.33 0.00 0.00 43.42 41.68 3hkz n LEU 268 CO 0.44 -0.02 0.04 0.18 -1.33 0.00 0.00 177.39 176.70 3hkz n LEU 269 N -1.09 0.80 -0.17 2.23 4.77 -1.11 -3.87 117.00 118.56 3hkz n LEU 269 Ca 0.16 0.29 0.12 0.00 -0.03 0.00 0.00 56.01 56.55 3hkz n LEU 269 Cb 0.12 -0.08 0.21 0.00 -2.33 0.00 0.00 43.42 41.34 3hkz n LEU 269 CO 0.15 -0.15 0.44 0.00 -1.33 0.00 0.00 177.39 176.50 3hkz n GLN 270 N -2.55 0.50 -0.20 3.23 6.02 -0.28 -2.53 117.38 121.57 3hkz n GLN 270 Ca 0.00 -0.34 0.06 0.00 -0.01 0.00 0.00 57.00 56.71 3hkz n GLN 270 Cb 0.53 -1.49 0.16 0.00 1.02 0.00 0.00 30.24 30.45 3hkz n GLN 270 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hkz n TYR 271 N -0.95 0.49 0.00 1.08 0.53 -0.86 -4.27 117.16 113.18 3hkz n TYR 271 Ca 0.08 -0.56 0.00 0.00 -1.02 0.00 0.00 57.90 56.41 3hkz n TYR 271 Cb 0.36 -0.07 0.00 0.00 -1.03 0.00 0.00 39.34 38.60 3hkz n TYR 271 CO 0.00 0.00 0.00 0.72 -1.02 0.00 0.00 176.86 176.56 3hkz n HIS 272 N 0.27 0.00 -0.07 -0.72 8.25 -1.25 -4.44 115.22 117.26 3hkz n HIS 272 Ca 0.12 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.47 3hkz n HIS 272 Cb 0.48 0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.65 3hkz n HIS 272 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3hkz h VAL 273 N 0.00 1.26 -0.27 1.59 2.07 -1.77 0.46 116.25 119.59 3hkz h VAL 273 Ca 0.00 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 3hkz h VAL 273 Cb 0.23 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.45 3hkz h VAL 273 CO 0.00 0.28 0.09 0.00 0.02 0.00 0.00 177.57 177.96 3hkz h ALA 274 N 0.77 1.66 -0.24 1.67 0.00 -1.74 -0.93 119.26 120.45 3hkz h ALA 274 Ca 0.06 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3hkz h ALA 274 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hkz h ALA 274 CO 0.01 0.27 -0.02 1.15 0.00 0.00 0.00 179.25 180.66 3hkz h THR 275 N 0.37 1.27 -0.05 0.00 2.02 -1.60 -1.53 112.91 113.39 3hkz h THR 275 Ca 0.09 -0.95 0.02 0.00 0.77 0.00 0.00 66.41 66.33 3hkz h THR 275 Cb 0.11 1.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3hkz h THR 275 CO -0.01 0.30 0.26 0.22 0.37 0.00 0.00 175.52 176.66 3hkz h TYR 276 N 0.19 0.00 0.00 3.16 3.20 0.13 -2.98 116.97 120.67 3hkz h TYR 276 Ca 0.07 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3hkz h TYR 276 Cb 0.45 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.72 3hkz h TYR 276 CO 0.04 0.00 0.00 1.19 -1.64 0.00 0.00 178.16 177.75 3hkz n PHE 277 N -3.09 0.00 -4.24 -3.82 3.72 -0.80 -3.17 117.46 106.05 3hkz n PHE 277 Ca -0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.06 3hkz n PHE 277 Cb 0.33 -0.14 -0.08 0.00 -0.94 0.00 0.00 39.48 38.64 3hkz n PHE 277 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hkz s ASP 278 N -3.21 5.31 0.00 4.37 1.01 -0.59 0.92 116.67 124.48 3hkz s ASP 278 Ca 0.00 0.07 0.13 0.00 0.71 0.00 0.00 52.55 53.46 3hkz s ASP 278 Cb 0.00 -1.45 -0.03 0.00 1.01 0.00 0.00 42.92 42.44 3hkz s ASP 278 CO 0.00 0.30 0.71 -3.20 0.21 0.00 0.00 175.17 173.19 3hkz n ASN 279 N 1.50 1.26 -0.91 0.27 5.15 -1.25 -3.80 115.26 117.48 3hkz n ASN 279 Ca -0.15 -1.13 0.06 0.00 -0.60 0.00 0.00 54.58 52.77 3hkz n ASN 279 Cb 0.53 0.58 0.20 0.00 -0.53 0.00 0.00 39.78 40.56 3hkz n ASN 279 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3hkz n GLU 280 N -0.42 2.26 -1.70 1.20 -0.58 -1.26 -4.88 120.64 115.27 3hkz n GLU 280 Ca 0.05 -1.63 -0.61 0.00 -0.42 0.00 0.00 57.16 54.55 3hkz n GLU 280 Cb 0.26 -1.46 -0.08 0.00 -0.57 0.00 0.00 31.44 29.59 3hkz n GLU 280 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3hkz n ILE 281 N 0.70 0.16 -0.00 -3.67 5.41 -1.26 -4.82 119.36 115.88 3hkz n ILE 281 Ca 0.15 -0.03 -0.11 0.00 1.00 0.00 0.00 62.75 63.76 3hkz n ILE 281 Cb 0.45 -0.87 -0.06 0.00 -0.71 0.00 0.00 39.64 38.46 3hkz n ILE 281 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 3hkz h PRO 282 N 5.97 0.11 0.00 0.38 0.14 -1.94 -3.42 132.00 133.25 3hkz h PRO 282 Ca -0.46 -0.01 -0.23 0.00 0.14 0.00 0.00 66.00 65.44 3hkz h PRO 282 Cb 1.34 -0.02 0.12 0.00 0.14 0.00 0.00 31.00 32.59 3hkz h PRO 282 CO 0.93 0.17 -0.03 0.41 0.14 0.00 0.00 178.00 179.62 3hkz n GLY 283 N -0.85 -3.37 0.47 1.56 0.00 -1.26 -4.91 105.19 96.82 3hkz n GLY 283 Ca -0.06 -1.35 0.29 0.00 0.00 0.00 0.00 46.02 44.90 3hkz n GLY 283 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hkz h LEU 284 N 0.00 0.03 -7.19 0.99 3.38 -2.01 -3.45 115.31 107.05 3hkz h LEU 284 Ca -0.24 0.00 -0.70 0.00 0.09 0.00 0.00 57.88 57.04 3hkz h LEU 284 Cb 0.78 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3hkz h LEU 284 CO 0.15 0.01 0.96 -2.65 0.09 0.00 0.00 178.44 177.00 3hkz n PRO 285 N -4.27 0.00 -4.05 1.13 -0.01 -1.26 -4.98 135.00 121.56 3hkz n PRO 285 Ca 0.20 0.00 -0.28 0.00 -0.01 0.00 0.00 63.50 63.41 3hkz n PRO 285 Cb 0.98 -1.30 -0.02 0.00 -0.01 0.00 0.00 33.50 33.16 3hkz n PRO 285 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 175.50 175.14 3hkz n PRO 286 N 5.48 0.73 -3.26 0.52 -0.04 -1.26 -4.64 135.00 132.54 3hkz n PRO 286 Ca 0.41 -3.43 0.03 0.00 -0.04 0.00 0.00 63.50 60.46 3hkz n PRO 286 Cb -0.04 0.56 -0.04 0.00 -0.04 0.00 0.00 33.50 33.94 3hkz n PRO 286 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3hkz s SER 287 N -4.00 -0.22 0.43 3.54 1.04 -1.26 -5.10 113.70 108.13 3hkz s SER 287 Ca 0.20 0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.95 3hkz s SER 287 Cb -0.02 1.25 -0.00 0.00 0.10 0.00 0.00 66.02 67.35 3hkz s SER 287 CO 0.13 -0.04 0.03 0.29 0.98 0.00 0.00 173.24 174.63 3hkz n LYS 288 N 4.65 0.83 -4.30 4.02 5.02 -1.26 -2.53 118.16 124.59 3hkz n LYS 288 Ca -0.07 -3.24 -0.18 0.00 -2.02 0.00 0.00 58.31 52.80 3hkz n LYS 288 Cb 0.55 1.09 -0.09 0.00 -0.02 0.00 0.00 35.03 36.56 3hkz n LYS 288 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3hkz s HIS 289 N -2.71 1.56 0.21 2.13 2.46 -1.24 -4.82 115.29 112.88 3hkz s HIS 289 Ca 0.05 -1.44 -0.06 0.00 0.47 0.00 0.00 55.06 54.07 3hkz s HIS 289 Cb 0.00 -0.77 0.34 0.00 -0.13 0.00 0.00 32.58 32.02 3hkz s HIS 289 CO 0.03 -0.63 1.18 2.89 -2.47 0.00 0.00 174.74 175.75 3hkz n ARG 290 N -0.54 -0.07 0.28 2.88 -4.01 -1.26 -1.06 116.66 112.88 3hkz n ARG 290 Ca 0.03 1.18 0.16 0.00 -1.04 0.00 0.00 57.85 58.17 3hkz n ARG 290 Cb 0.64 -1.76 0.83 0.00 -3.04 0.00 0.00 32.46 29.14 3hkz n ARG 290 CO 0.00 0.00 0.00 1.03 -3.04 0.00 0.00 177.63 175.62 3hkz h SER 291 N 0.00 0.00 0.00 2.89 0.87 -2.05 -3.45 113.55 111.81 3hkz h SER 291 Ca 0.36 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.92 3hkz h SER 291 Cb 0.55 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 3hkz h SER 291 CO -0.78 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.13 3hkz n GLY 292 N -1.20 3.25 3.66 5.77 0.00 -0.22 -5.06 105.19 111.39 3hkz n GLY 292 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 3hkz n GLY 292 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkz s ARG 293 N -0.52 4.21 0.05 1.61 3.00 -1.26 -4.80 118.95 121.24 3hkz s ARG 293 Ca 0.00 1.71 -0.34 0.00 0.00 0.00 0.00 55.73 57.10 3hkz s ARG 293 Cb 0.00 -3.80 -0.13 0.00 0.00 0.00 0.00 34.95 31.02 3hkz s ARG 293 CO 0.00 -0.74 1.67 -2.30 0.00 0.00 0.00 175.30 173.93 3hkz n PRO 294 N 6.71 2.05 -1.63 3.54 -0.02 -1.26 -3.61 135.00 140.78 3hkz n PRO 294 Ca 0.14 0.74 -0.41 0.00 -2.02 0.00 0.00 63.50 61.96 3hkz n PRO 294 Cb 0.45 -2.53 0.01 0.00 -0.02 0.00 0.00 33.50 31.42 3hkz n PRO 294 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3hkz n LEU 295 N 4.53 2.96 -4.28 2.45 4.77 -1.05 -4.91 117.00 121.47 3hkz n LEU 295 Ca 0.19 1.03 -0.44 0.00 -0.03 0.00 0.00 56.01 56.76 3hkz n LEU 295 Cb 0.28 -1.38 0.00 0.00 -2.33 0.00 0.00 43.42 39.99 3hkz n LEU 295 CO 0.67 -1.37 0.94 0.54 -1.33 0.00 0.00 177.39 176.84 3hkz n ARG 296 N 0.03 3.69 -2.23 3.23 3.00 -1.26 -4.84 116.66 118.28 3hkz n ARG 296 Ca 0.09 -4.39 -0.29 0.00 -0.01 0.00 0.00 57.85 53.25 3hkz n ARG 296 Cb 0.40 -2.60 0.02 0.00 0.00 0.00 0.00 32.46 30.28 3hkz n ARG 296 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 3hkz s THR 297 N -1.23 4.31 0.10 0.55 -4.23 -1.26 -4.20 115.64 109.68 3hkz s THR 297 Ca 0.32 0.40 -0.06 0.00 -1.18 0.00 0.00 61.69 61.17 3hkz s THR 297 Cb -0.06 -3.70 0.12 0.00 1.34 0.00 0.00 72.50 70.19 3hkz s THR 297 CO -0.04 -0.81 0.65 -0.11 -0.54 0.00 0.00 174.62 173.77 3hkz n LEU 298 N -2.60 -0.24 0.08 4.79 0.00 -1.19 0.43 117.00 118.27 3hkz n LEU 298 Ca 0.04 0.72 -0.12 0.00 0.00 0.00 0.00 56.01 56.66 3hkz n LEU 298 Cb 0.56 -0.18 -0.04 0.00 0.00 0.00 0.00 43.42 43.76 3hkz n LEU 298 CO 0.55 -0.66 0.18 0.00 0.00 0.00 0.00 177.39 177.46 3hkz h ALA 299 N 0.63 0.39 -0.29 1.96 0.00 0.30 -3.06 119.26 119.20 3hkz h ALA 299 Ca 0.16 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 54.36 3hkz h ALA 299 Cb 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3hkz h ALA 299 CO -0.42 0.89 0.19 0.37 0.00 0.00 0.00 179.25 180.28 3hkz h GLN 300 N 0.15 0.26 -6.65 0.00 5.75 -0.19 -3.36 115.11 111.07 3hkz h GLN 300 Ca -0.07 -0.02 -0.50 0.00 -0.15 0.00 0.00 58.65 57.91 3hkz h GLN 300 Cb 1.60 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 30.07 3hkz h GLN 300 CO 0.16 0.17 0.10 0.50 -2.65 0.00 0.00 178.83 177.10 3hkz s ARG 301 N -5.27 4.11 -0.13 1.69 3.00 -0.53 -4.04 118.95 117.78 3hkz s ARG 301 Ca -0.07 0.75 0.00 0.00 -1.00 0.00 0.00 55.73 55.42 3hkz s ARG 301 Cb 0.18 -2.64 0.00 0.00 0.00 0.00 0.00 34.95 32.49 3hkz s ARG 301 CO 0.71 0.27 0.00 1.47 0.00 0.00 0.00 175.30 177.75 3hkz n LEU 302 N 0.13 0.01 0.00 -0.88 -0.00 -1.26 -4.86 117.00 110.14 3hkz n LEU 302 Ca 0.01 0.03 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 3hkz n LEU 302 Cb 0.52 -0.83 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 3hkz n LEU 302 CO 0.42 -0.16 0.00 0.29 -0.00 0.00 0.00 177.39 177.94 3hkz n LYS 303 N -2.57 0.00 0.00 1.47 4.76 -1.26 -4.19 118.16 116.37 3hkz n LYS 303 Ca -0.01 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 3hkz n LYS 303 Cb 0.09 -0.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 3hkz n LYS 303 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3hkz n GLY 304 N 2.35 4.71 0.28 0.72 0.00 -1.26 -4.84 105.19 107.15 3hkz n GLY 304 Ca 0.00 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.27 3hkz n GLY 304 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hkz n LYS 305 N 0.00 -0.06 -0.19 1.61 4.81 -1.26 0.71 118.16 123.77 3hkz n LYS 305 Ca 0.00 1.19 0.06 0.00 -0.87 0.00 0.00 58.31 58.69 3hkz n LYS 305 Cb 0.00 -1.96 0.15 0.00 0.02 0.00 0.00 35.03 33.24 3hkz n LYS 305 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3hkz n GLU 306 N -5.06 2.53 0.00 1.64 2.13 -1.26 -4.37 120.64 116.24 3hkz n GLU 306 Ca 0.23 -2.30 0.00 0.00 0.66 0.00 0.00 57.16 55.75 3hkz n GLU 306 Cb 0.75 -1.44 0.00 0.00 0.27 0.00 0.00 31.44 31.02 3hkz n GLU 306 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hkz n GLY 307 N -0.48 -2.99 0.00 8.31 0.00 0.22 -4.62 105.19 105.63 3hkz n GLY 307 Ca 0.13 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3hkz n GLY 307 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hkz n ARG 308 N 0.00 3.44 -0.04 1.61 0.63 -1.26 -3.93 116.66 117.11 3hkz n ARG 308 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3hkz n ARG 308 Cb 0.00 -0.49 -0.01 0.00 0.45 0.00 0.00 32.46 32.41 3hkz n ARG 308 CO 0.00 0.00 0.00 0.74 -2.51 0.00 0.00 177.63 175.86 3hkz h PHE 309 N 0.00 0.00 0.00 -0.14 -1.00 -1.87 -0.26 116.94 113.67 3hkz h PHE 309 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3hkz h PHE 309 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3hkz h PHE 309 CO 0.00 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.24 3hkz n ARG 310 N -3.77 0.08 -0.13 1.51 1.74 -1.26 -1.21 116.66 113.62 3hkz n ARG 310 Ca -0.03 0.24 -0.28 0.00 -0.77 0.00 0.00 57.85 57.01 3hkz n ARG 310 Cb 0.11 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 29.95 3hkz n ARG 310 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkz n GLY 311 N -0.30 -0.43 0.00 -0.13 0.00 -1.25 -4.50 105.19 98.58 3hkz n GLY 311 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3hkz n GLY 311 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hkz n ASN 312 N -4.15 1.15 -0.08 1.61 3.02 -0.97 -4.31 115.26 111.53 3hkz n ASN 312 Ca -0.53 -0.06 -0.08 0.00 -0.03 0.00 0.00 54.58 53.89 3hkz n ASN 312 Cb 0.88 0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 3hkz n ASN 312 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3hkz n LEU 313 N -0.47 1.85 -0.08 3.41 4.32 -0.12 -4.42 117.00 121.49 3hkz n LEU 313 Ca 0.00 0.53 0.14 0.00 -0.02 0.00 0.00 56.01 56.66 3hkz n LEU 313 Cb 0.00 -0.84 0.61 0.00 -1.62 0.00 0.00 43.42 41.57 3hkz n LEU 313 CO 0.00 -0.34 0.88 -0.24 -1.22 0.00 0.00 177.39 176.46 3hkz n SER 314 N -4.55 0.35 -3.74 -1.43 2.88 -0.35 -4.81 113.62 101.98 3hkz n SER 314 Ca -0.12 -0.38 -0.13 0.00 -1.33 0.00 0.00 58.87 56.90 3hkz n SER 314 Cb 0.38 -0.12 -0.09 0.00 -0.75 0.00 0.00 64.21 63.62 3hkz n SER 314 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3hkz s GLY 315 N -2.57 -0.24 -0.06 0.46 0.00 -1.25 -5.02 107.32 98.63 3hkz s GLY 315 Ca 0.26 0.75 -0.11 0.00 0.00 0.00 0.00 44.72 45.62 3hkz s GLY 315 CO 0.49 0.56 0.27 0.54 0.00 0.00 0.00 173.10 174.97 3hkz s LYS 316 N -0.57 0.47 0.68 2.90 1.02 -1.26 -2.28 119.74 120.70 3hkz s LYS 316 Ca -0.07 0.08 -0.16 0.00 0.02 0.00 0.00 55.97 55.84 3hkz s LYS 316 Cb -0.04 0.22 0.01 0.00 -0.52 0.00 0.00 37.83 37.50 3hkz s LYS 316 CO 0.03 -0.10 1.20 1.03 -0.92 0.00 0.00 175.35 176.59 3hkz s ARG 317 N -0.59 2.50 0.02 1.68 0.52 -1.26 -5.03 118.95 116.79 3hkz s ARG 317 Ca -0.07 1.75 0.03 0.00 -0.52 0.00 0.00 55.73 56.92 3hkz s ARG 317 Cb -0.04 -1.88 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 3hkz s ARG 317 CO 0.02 -1.56 -0.10 0.14 0.02 0.00 0.00 175.30 173.82 3hkz s VAL 318 N -1.89 0.78 0.61 3.52 -7.23 -1.26 -5.13 120.40 109.80 3hkz s VAL 318 Ca 0.75 -0.76 -0.19 0.00 -1.81 0.00 0.00 61.98 59.96 3hkz s VAL 318 Cb -0.29 -0.72 -0.03 0.00 0.56 0.00 0.00 36.38 35.90 3hkz s VAL 318 CO 0.41 -0.03 1.28 0.47 -0.31 0.00 0.00 175.10 176.92 3hkz n ASP 319 N 2.17 2.13 0.00 4.85 8.00 -1.26 -2.86 116.55 129.59 3hkz n ASP 319 Ca -0.17 0.88 0.00 0.00 0.71 0.00 0.00 54.79 56.21 3hkz n ASP 319 Cb 0.56 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.11 3hkz n ASP 319 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hkz n PHE 320 N -1.59 0.00 -0.71 1.24 3.01 -1.26 -4.85 117.46 113.29 3hkz n PHE 320 Ca 0.14 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.28 3hkz n PHE 320 Cb 0.47 -0.57 0.15 0.00 -0.01 0.00 0.00 39.48 39.52 3hkz n PHE 320 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3hkz n SER 321 N -0.02 -1.02 -3.65 4.37 2.88 -1.14 -3.58 113.62 111.47 3hkz n SER 321 Ca 0.00 0.31 -0.02 0.00 -1.33 0.00 0.00 58.87 57.83 3hkz n SER 321 Cb 0.01 -1.32 -0.07 0.00 -0.75 0.00 0.00 64.21 62.09 3hkz n SER 321 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3hkz s SER 322 N -2.30 -0.19 -0.03 -3.46 0.15 -0.80 -4.94 113.70 102.12 3hkz s SER 322 Ca 0.62 0.33 0.04 0.00 0.70 0.00 0.00 55.95 57.64 3hkz s SER 322 Cb -0.22 0.71 -0.00 0.00 -1.71 0.00 0.00 66.02 64.80 3hkz s SER 322 CO 0.63 -0.05 -0.15 -0.60 1.20 0.00 0.00 173.24 174.27 3hkz s ARG 323 N 0.62 1.47 0.36 5.44 3.52 -1.26 0.14 118.95 129.23 3hkz s ARG 323 Ca -0.01 -0.53 -0.16 0.00 -0.13 0.00 0.00 55.73 54.90 3hkz s ARG 323 Cb -0.04 -1.33 0.04 0.00 -1.56 0.00 0.00 34.95 32.07 3hkz s ARG 323 CO -0.12 0.24 0.75 0.99 -0.81 0.00 0.00 175.30 176.34 3hkz s THR 324 N -0.02 0.00 0.47 4.11 2.01 -1.09 -5.01 115.64 116.11 3hkz s THR 324 Ca -0.01 -1.05 -0.19 0.00 0.31 0.00 0.00 61.69 60.74 3hkz s THR 324 Cb -0.10 -2.67 -0.09 0.00 0.01 0.00 0.00 72.50 69.65 3hkz s THR 324 CO 0.01 0.00 0.97 0.68 -0.69 0.00 0.00 174.62 175.59 3hkz s VAL 325 N -2.73 4.38 -0.11 3.82 -7.23 -1.26 -2.06 120.40 115.21 3hkz s VAL 325 Ca 0.16 1.35 -0.01 0.00 -1.81 0.00 0.00 61.98 61.67 3hkz s VAL 325 Cb -0.05 -3.63 -0.03 0.00 0.56 0.00 0.00 36.38 33.24 3hkz s VAL 325 CO 0.11 -0.45 -0.08 0.27 -0.31 0.00 0.00 175.10 174.64 3hkz s ILE 326 N -2.34 3.57 -0.07 -0.62 -4.36 -1.16 -1.22 121.20 115.01 3hkz s ILE 326 Ca 0.61 -0.50 0.02 0.00 -0.26 0.00 0.00 60.65 60.52 3hkz s ILE 326 Cb -0.10 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 41.09 3hkz s ILE 326 CO 0.21 0.55 -0.11 -0.44 0.24 0.00 0.00 174.94 175.39 3hkz s SER 327 N -0.19 4.32 0.33 4.36 0.01 0.12 -4.85 113.70 117.80 3hkz s SER 327 Ca 0.02 -0.13 -0.29 0.00 1.31 0.00 0.00 55.95 56.86 3hkz s SER 327 Cb -0.13 -1.10 -0.12 0.00 0.21 0.00 0.00 66.02 64.88 3hkz s SER 327 CO 0.03 0.33 1.44 -2.65 0.41 0.00 0.00 173.24 172.79 3hkz n PRO 328 N 2.46 2.43 -3.34 12.44 -0.02 -1.26 -2.35 135.00 145.36 3hkz n PRO 328 Ca -0.18 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.08 3hkz n PRO 328 Cb 0.53 -2.54 -0.07 0.00 -0.02 0.00 0.00 33.50 31.39 3hkz n PRO 328 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3hkz s ASP 329 N -0.02 0.03 -0.05 2.55 3.68 -0.60 -4.85 116.67 117.41 3hkz s ASP 329 Ca 0.58 0.33 -0.18 0.00 2.13 0.00 0.00 52.55 55.40 3hkz s ASP 329 Cb -0.53 1.25 -0.13 0.00 -1.45 0.00 0.00 42.92 42.06 3hkz s ASP 329 CO 0.59 -0.29 0.75 -0.65 0.13 0.00 0.00 175.17 175.69 3hkz h PRO 330 N 8.16 -0.27 -6.90 4.34 0.11 -1.95 -3.33 132.00 132.16 3hkz h PRO 330 Ca -0.20 0.02 -0.52 0.00 0.11 0.00 0.00 66.00 65.41 3hkz h PRO 330 Cb 1.15 0.06 0.06 0.00 0.11 0.00 0.00 31.00 32.39 3hkz h PRO 330 CO 0.27 0.08 0.60 -0.80 -0.21 0.00 0.00 178.00 177.94 3hkz s ASN 331 N -5.36 6.67 0.00 -2.05 0.01 -1.26 -4.71 114.94 108.24 3hkz s ASN 331 Ca -0.11 2.60 0.00 0.00 -0.71 0.00 0.00 52.86 54.64 3hkz s ASN 331 Cb 0.00 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 39.02 3hkz s ASN 331 CO 0.39 -0.59 0.00 -0.38 -1.51 0.00 0.00 177.10 175.01 3hkz n ILE 332 N 0.58 0.00 -2.33 0.60 5.41 -1.26 -5.02 119.36 117.33 3hkz n ILE 332 Ca 0.01 0.00 -0.37 0.00 1.00 0.00 0.00 62.75 63.39 3hkz n ILE 332 Cb 0.43 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.34 3hkz n ILE 332 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3hkz s SER 333 N 0.00 6.36 0.17 4.38 0.15 -1.26 -4.76 113.70 118.74 3hkz s SER 333 Ca 0.00 2.24 0.02 0.00 0.70 0.00 0.00 55.95 58.91 3hkz s SER 333 Cb 0.00 -2.60 0.44 0.00 -1.71 0.00 0.00 66.02 62.15 3hkz s SER 333 CO 0.00 -0.78 0.84 -0.38 1.20 0.00 0.00 173.24 174.12 3hkz n ILE 334 N -0.32 -0.22 0.13 6.45 2.08 -1.26 -1.76 119.36 124.45 3hkz n ILE 334 Ca 0.06 1.17 -0.10 0.00 0.56 0.00 0.00 62.75 64.44 3hkz n ILE 334 Cb 0.48 -1.72 -0.06 0.00 -0.75 0.00 0.00 39.64 37.59 3hkz n ILE 334 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 3hkz h ASP 335 N 0.00 -0.33 -3.17 4.38 3.32 -1.93 -3.45 116.42 115.24 3hkz h ASP 335 Ca 0.34 -0.17 -0.57 0.00 0.02 0.00 0.00 57.03 56.64 3hkz h ASP 335 Cb 0.71 0.08 0.17 0.00 0.22 0.00 0.00 39.33 40.52 3hkz h ASP 335 CO -0.49 0.15 -0.26 -0.62 -1.72 0.00 0.00 179.24 176.30 3hkz n GLU 336 N -5.04 0.56 -5.12 3.56 1.02 -0.72 -2.94 120.64 111.95 3hkz n GLU 336 Ca -0.08 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 56.97 3hkz n GLU 336 Cb 0.25 -1.85 -0.16 0.00 -0.02 0.00 0.00 31.44 29.66 3hkz n GLU 336 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hkz s VAL 337 N -1.71 2.31 -0.52 2.62 1.01 0.31 -4.70 120.40 119.73 3hkz s VAL 337 Ca 0.70 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 61.46 3hkz s VAL 337 Cb -0.42 -1.90 0.03 0.00 0.00 0.00 0.00 36.38 34.09 3hkz s VAL 337 CO 0.53 0.55 1.23 -0.83 0.00 0.00 0.00 175.10 176.58 3hkz s GLY 338 N 0.23 1.15 -0.14 4.51 0.00 -1.04 0.50 107.32 112.53 3hkz s GLY 338 Ca -0.14 -0.60 -0.05 0.00 0.00 0.00 0.00 44.72 43.93 3hkz s GLY 338 CO 0.07 2.55 0.04 0.14 0.00 0.00 0.00 173.10 175.89 3hkz s VAL 339 N 4.98 4.58 0.22 1.40 1.01 -1.04 -0.78 120.40 130.77 3hkz s VAL 339 Ca 0.48 -0.12 -0.32 0.00 0.00 0.00 0.00 61.98 62.02 3hkz s VAL 339 Cb -0.08 -3.01 -0.12 0.00 0.00 0.00 0.00 36.38 33.17 3hkz s VAL 339 CO 0.29 0.52 1.69 -2.84 0.00 0.00 0.00 175.10 174.76 3hkz s PRO 340 N -0.12 4.13 0.52 2.72 0.02 -1.25 0.56 135.00 141.58 3hkz s PRO 340 Ca 0.06 2.58 0.35 0.00 0.02 0.00 0.00 61.00 64.01 3hkz s PRO 340 Cb -0.12 -3.07 1.50 0.00 0.02 0.00 0.00 34.50 32.83 3hkz s PRO 340 CO 0.02 -0.72 1.76 1.49 -0.33 0.00 0.00 177.00 179.22 3hkz h GLU 341 N 6.47 0.06 0.23 5.54 4.81 -1.73 0.39 114.58 130.35 3hkz h GLU 341 Ca -0.44 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 3hkz h GLU 341 Cb 1.20 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.57 3hkz h GLU 341 CO 0.93 0.04 -0.11 0.82 -0.73 0.00 0.00 179.01 179.96 3hkz h ILE 342 N 0.06 0.70 -0.45 2.32 1.08 -1.91 0.15 117.51 119.46 3hkz h ILE 342 Ca 0.63 -0.94 0.13 0.00 -0.39 0.00 0.00 64.86 64.29 3hkz h ILE 342 Cb 2.36 1.14 -0.02 0.00 -3.07 0.00 0.00 36.82 37.23 3hkz h ILE 342 CO -0.08 0.17 0.39 0.40 -0.69 0.00 0.00 178.15 178.34 3hkz h ILE 343 N -0.88 0.54 0.03 -0.67 1.08 -1.09 0.71 117.51 117.23 3hkz h ILE 343 Ca -0.03 0.00 -0.22 0.00 -0.39 0.00 0.00 64.86 64.22 3hkz h ILE 343 Cb 0.51 0.71 -0.02 0.00 -3.07 0.00 0.00 36.82 34.94 3hkz h ILE 343 CO 0.05 0.00 -1.01 0.00 -0.69 0.00 0.00 178.15 176.50 3hkz h ALA 344 N 1.64 0.35 0.17 1.87 0.00 -0.12 -2.85 119.26 120.31 3hkz h ALA 344 Ca 0.22 -0.87 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3hkz h ALA 344 Cb 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3hkz h ALA 344 CO -0.00 1.14 -0.08 0.87 0.00 0.00 0.00 179.25 181.17 3hkz h LYS 345 N 0.02 -0.22 0.00 0.00 1.57 0.31 -1.75 116.57 116.50 3hkz h LYS 345 Ca -0.04 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hkz h LYS 345 Cb 1.75 0.05 0.00 0.00 0.08 0.00 0.00 32.23 34.11 3hkz h LYS 345 CO 0.14 0.03 0.03 1.15 -0.57 0.00 0.00 179.45 180.23 3hkz h THR 346 N -1.01 0.00 -2.76 -0.16 2.02 -0.42 -3.41 112.91 107.17 3hkz h THR 346 Ca -0.02 0.00 -0.65 0.00 0.77 0.00 0.00 66.41 66.51 3hkz h THR 346 Cb 0.35 0.83 -0.06 0.00 -1.74 0.00 0.00 68.15 67.53 3hkz h THR 346 CO 0.04 0.00 -0.46 -0.76 0.37 0.00 0.00 175.52 174.71 3hkz s LEU 347 N -5.68 4.38 0.15 2.58 1.43 -1.08 -5.08 118.68 115.38 3hkz s LEU 347 Ca -0.04 0.46 0.11 0.00 -1.03 0.00 0.00 54.13 53.62 3hkz s LEU 347 Cb 0.11 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 3hkz s LEU 347 CO 0.34 0.33 -0.25 0.42 0.23 0.00 0.00 176.35 177.42 3hkz s THR 348 N -1.18 2.19 -0.21 5.49 -4.23 -1.26 -3.17 115.64 113.27 3hkz s THR 348 Ca 0.22 -1.82 0.02 0.00 -1.18 0.00 0.00 61.69 58.92 3hkz s THR 348 Cb -0.13 -1.97 0.04 0.00 1.34 0.00 0.00 72.50 71.78 3hkz s THR 348 CO 0.12 -0.01 -0.15 0.68 -0.54 0.00 0.00 174.62 174.71 3hkz s VAL 349 N -1.31 2.01 -0.84 2.29 -7.23 -0.97 -4.96 120.40 109.39 3hkz s VAL 349 Ca 0.15 -1.16 -0.21 0.00 -1.81 0.00 0.00 61.98 58.95 3hkz s VAL 349 Cb -0.09 -1.95 -0.14 0.00 0.56 0.00 0.00 36.38 34.76 3hkz s VAL 349 CO 0.07 0.30 1.95 -0.81 -0.31 0.00 0.00 175.10 176.31 3hkz n PRO 350 N 4.58 1.63 -2.78 4.82 -0.04 -1.26 -2.15 135.00 139.79 3hkz n PRO 350 Ca -0.18 -1.94 -0.42 0.00 -0.04 0.00 0.00 63.50 60.93 3hkz n PRO 350 Cb 0.47 -2.98 -0.03 0.00 -0.04 0.00 0.00 33.50 30.92 3hkz n PRO 350 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3hkz s GLU 351 N 4.88 4.30 0.70 0.54 2.12 -1.10 -4.88 118.70 125.25 3hkz s GLU 351 Ca 0.57 1.19 -0.11 0.00 0.36 0.00 0.00 54.97 56.97 3hkz s GLU 351 Cb 0.14 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.94 3hkz s GLU 351 CO 0.10 -0.43 1.06 1.03 -0.54 0.00 0.00 175.26 176.48 3hkz s ARG 352 N 2.49 2.92 -0.16 4.30 0.52 -1.26 -2.23 118.95 125.53 3hkz s ARG 352 Ca 0.42 0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 56.26 3hkz s ARG 352 Cb -0.16 -2.00 -0.04 0.00 0.52 0.00 0.00 34.95 33.27 3hkz s ARG 352 CO 0.11 -1.07 0.48 0.42 0.02 0.00 0.00 175.30 175.26 3hkz s ILE 353 N -3.12 5.16 0.11 1.52 1.09 -0.03 -4.85 121.20 121.07 3hkz s ILE 353 Ca 0.58 0.92 0.00 0.00 -1.10 0.00 0.00 60.65 61.05 3hkz s ILE 353 Cb -0.13 -3.81 -0.00 0.00 -1.06 0.00 0.00 42.46 37.45 3hkz s ILE 353 CO 0.54 0.25 0.01 0.35 -0.10 0.00 0.00 174.94 175.99 3hkz n THR 354 N 4.13 0.00 -0.37 2.92 -2.24 -1.26 -3.39 114.28 114.08 3hkz n THR 354 Ca -0.06 -0.52 -0.16 0.00 -2.27 0.00 0.00 64.05 61.04 3hkz n THR 354 Cb 0.51 0.12 0.15 0.00 -2.10 0.00 0.00 70.33 69.01 3hkz n THR 354 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3hkz n PRO 355 N -0.26 -1.89 0.00 -0.78 -0.04 -1.26 -3.69 135.00 127.08 3hkz n PRO 355 Ca -0.04 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.67 3hkz n PRO 355 Cb 0.14 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3hkz n PRO 355 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3hkz n TRP 356 N -4.40 0.00 -0.48 0.54 2.14 -1.26 -3.89 117.44 110.09 3hkz n TRP 356 Ca 0.07 0.00 0.40 0.00 2.07 0.00 0.00 57.50 60.05 3hkz n TRP 356 Cb 0.31 0.00 0.72 0.00 -0.81 0.00 0.00 31.31 31.53 3hkz n TRP 356 CO 0.00 0.00 0.00 -2.95 2.07 0.00 0.00 177.69 176.81 3hkz h ASN 357 N 0.00 0.11 0.00 -0.67 -1.07 -1.98 -2.84 115.58 109.13 3hkz h ASN 357 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 56.30 56.42 3hkz h ASN 357 Cb 0.00 0.04 0.00 0.00 -2.07 0.00 0.00 38.32 36.29 3hkz h ASN 357 CO 0.00 -0.04 0.18 0.00 0.07 0.00 0.00 177.43 177.63 3hkz n ILE 358 N -4.29 0.85 -0.06 6.14 3.06 -1.24 -0.08 119.36 123.74 3hkz n ILE 358 Ca 0.35 0.72 -0.03 0.00 -2.50 0.00 0.00 62.75 61.29 3hkz n ILE 358 Cb 1.52 -1.72 -0.02 0.00 0.54 0.00 0.00 39.64 39.96 3hkz n ILE 358 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 3hkz h GLU 359 N 0.00 0.00 -0.61 9.51 5.08 -1.86 -2.79 114.58 123.91 3hkz h GLU 359 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3hkz h GLU 359 Cb 0.35 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3hkz h GLU 359 CO 0.00 0.11 0.35 -0.22 -1.00 0.00 0.00 179.01 178.24 3hkz h LYS 360 N -1.00 0.83 -0.51 2.33 3.64 -1.48 -1.36 116.57 119.03 3hkz h LYS 360 Ca -0.01 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 3hkz h LYS 360 Cb 0.27 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 3hkz h LYS 360 CO -0.01 0.60 -0.02 1.25 -2.27 0.00 0.00 179.45 179.00 3hkz h LEU 361 N 0.84 0.90 -0.83 5.20 5.85 -0.66 -1.98 115.31 124.64 3hkz h LEU 361 Ca 0.22 -0.32 0.10 0.00 0.84 0.00 0.00 57.88 58.72 3hkz h LEU 361 Cb -0.00 -0.24 -0.08 0.00 0.37 0.00 0.00 40.66 40.71 3hkz h LEU 361 CO -0.04 1.00 0.47 0.03 -0.34 0.00 0.00 178.44 179.56 3hkz h ARG 362 N 0.78 0.75 -0.77 1.25 3.08 -1.19 -2.95 114.38 115.33 3hkz h ARG 362 Ca 0.14 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.15 3hkz h ARG 362 Cb 0.55 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 3hkz h ARG 362 CO 0.03 0.49 0.51 0.37 -1.07 0.00 0.00 179.97 180.30 3hkz h GLN 363 N 0.77 1.00 -0.41 0.04 5.75 -0.51 -1.80 115.11 119.95 3hkz h GLN 363 Ca 0.40 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.73 3hkz h GLN 363 Cb 0.40 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 3hkz h GLN 363 CO -0.26 0.66 -0.19 0.74 -2.65 0.00 0.00 178.83 177.13 3hkz h PHE 364 N 1.04 0.99 0.00 3.99 0.05 -1.36 -2.36 116.94 119.29 3hkz h PHE 364 Ca 0.28 -0.24 0.00 0.00 3.82 0.00 0.00 57.97 61.83 3hkz h PHE 364 Cb -0.12 -0.23 0.00 0.00 2.00 0.00 0.00 35.95 37.60 3hkz h PHE 364 CO -0.02 1.02 0.00 -0.24 -0.18 0.00 0.00 178.31 178.89 3hkz h VAL 365 N 0.68 0.00 0.00 -0.55 3.04 -1.28 0.32 116.25 118.47 3hkz h VAL 365 Ca 0.09 -0.65 -0.04 0.00 -1.01 0.00 0.00 66.70 65.10 3hkz h VAL 365 Cb 0.75 1.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.67 3hkz h VAL 365 CO 0.06 0.00 -0.15 -0.29 -1.01 0.00 0.00 177.57 176.18 3hkz h ILE 366 N 0.00 1.60 -0.96 3.17 -0.00 -1.31 -3.31 117.51 116.69 3hkz h ILE 366 Ca 0.00 -1.96 0.21 0.00 -0.00 0.00 0.00 64.86 63.11 3hkz h ILE 366 Cb 0.65 2.88 -0.08 0.00 -0.00 0.00 0.00 36.82 40.27 3hkz h ILE 366 CO 0.00 0.52 0.62 0.78 -0.00 0.00 0.00 178.15 180.07 3hkz h ASN 367 N -0.65 0.53 0.00 2.19 4.21 -0.83 -3.46 115.58 117.58 3hkz h ASN 367 Ca -0.02 0.06 0.00 0.00 1.21 0.00 0.00 56.30 57.56 3hkz h ASN 367 Cb 0.94 -0.03 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 3hkz h ASN 367 CO 0.03 0.19 0.00 0.61 -1.29 0.00 0.00 177.43 176.97 3hkz n GLY 368 N -1.45 0.80 0.51 2.83 0.00 0.11 -3.81 105.19 104.18 3hkz n GLY 368 Ca 0.22 -1.27 0.06 0.00 0.00 0.00 0.00 46.02 45.03 3hkz n GLY 368 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hkz n PRO 369 N 4.03 0.93 -0.07 1.61 -0.04 -1.26 0.11 135.00 140.30 3hkz n PRO 369 Ca 0.00 -1.32 -0.07 0.00 -0.04 0.00 0.00 63.50 62.07 3hkz n PRO 369 Cb 0.00 -1.24 -0.03 0.00 -0.04 0.00 0.00 33.50 32.19 3hkz n PRO 369 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3hkz h ASP 370 N 2.37 0.00 -3.67 3.54 3.32 -1.97 -3.47 116.42 116.54 3hkz h ASP 370 Ca 0.00 -0.13 -0.50 0.00 0.02 0.00 0.00 57.03 56.43 3hkz h ASP 370 Cb 0.53 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.10 3hkz h ASP 370 CO 0.00 0.83 0.12 -0.75 -1.72 0.00 0.00 179.24 177.72 3hkz s LYS 371 N -2.11 3.69 0.00 3.56 2.36 -1.25 -5.05 119.74 120.94 3hkz s LYS 371 Ca -0.14 0.38 0.00 0.00 -2.55 0.00 0.00 55.97 53.66 3hkz s LYS 371 Cb 0.02 -2.38 0.00 0.00 -1.05 0.00 0.00 37.83 34.42 3hkz s LYS 371 CO 0.25 -0.11 0.36 1.87 1.55 0.00 0.00 175.35 179.27 3hkz n TRP 372 N -1.69 0.00 -1.97 4.03 -0.00 -1.26 -4.01 117.44 112.55 3hkz n TRP 372 Ca 0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.26 3hkz n TRP 372 Cb 0.54 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.80 3hkz n TRP 372 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 3hkz s PRO 373 N -0.73 2.41 0.00 5.87 0.02 -1.26 -4.76 135.00 136.55 3hkz s PRO 373 Ca 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 61.00 60.97 3hkz s PRO 373 Cb 0.00 -4.94 0.00 0.00 0.02 0.00 0.00 34.50 29.58 3hkz s PRO 373 CO 0.00 -3.47 0.00 0.41 -0.33 0.00 0.00 177.00 173.61 3hkz n GLY 374 N 6.71 5.22 2.65 0.52 0.00 -1.26 -4.12 105.19 114.91 3hkz n GLY 374 Ca 0.39 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 3hkz n GLY 374 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkz n ALA 375 N -3.00 -0.59 -1.52 4.61 0.00 0.29 0.24 120.51 120.55 3hkz n ALA 375 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 53.44 51.54 3hkz n ALA 375 Cb 0.00 -1.20 -0.10 0.00 0.00 0.00 0.00 19.45 18.15 3hkz n ALA 375 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hkz n ASN 376 N 1.16 1.03 0.00 0.00 2.04 -1.24 -4.52 115.26 113.73 3hkz n ASN 376 Ca 0.10 -2.03 0.00 0.00 -0.44 0.00 0.00 54.58 52.22 3hkz n ASN 376 Cb 0.64 -1.56 0.00 0.00 -2.53 0.00 0.00 39.78 36.33 3hkz n ASN 376 CO 0.00 0.00 0.00 -1.22 -0.44 0.00 0.00 177.26 175.60 3hkz n TYR 377 N 17.67 0.00 -2.78 -2.53 4.01 -1.26 -4.87 117.16 127.41 3hkz n TYR 377 Ca 0.40 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 58.05 3hkz n TYR 377 Cb 0.45 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.53 3hkz n TYR 377 CO 0.00 0.00 0.00 1.55 -0.46 0.00 0.00 176.86 177.95 3hkz n VAL 378 N -1.38 -0.04 -1.48 -0.72 3.14 -1.08 -2.50 118.33 114.26 3hkz n VAL 378 Ca 0.00 -1.68 -0.52 0.00 -2.96 0.00 0.00 64.34 59.18 3hkz n VAL 378 Cb 0.00 1.28 -0.05 0.00 -1.06 0.00 0.00 33.84 34.01 3hkz n VAL 378 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3hkz n ILE 379 N 1.40 1.09 -2.43 1.55 5.41 -0.86 -4.29 119.36 121.24 3hkz n ILE 379 Ca 0.09 -0.27 -0.23 0.00 1.00 0.00 0.00 62.75 63.34 3hkz n ILE 379 Cb 0.64 -0.24 0.05 0.00 -0.71 0.00 0.00 39.64 39.38 3hkz n ILE 379 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 3hkz s ARG 380 N -0.56 2.34 0.48 0.38 0.52 -0.68 -1.92 118.95 119.50 3hkz s ARG 380 Ca 0.75 -0.55 0.32 0.00 -0.52 0.00 0.00 55.73 55.72 3hkz s ARG 380 Cb -1.01 -2.33 1.47 0.00 0.52 0.00 0.00 34.95 33.60 3hkz s ARG 380 CO 0.56 -0.99 1.96 -1.00 0.02 0.00 0.00 175.30 175.85 3hkz h PRO 381 N -0.27 0.00 0.00 3.54 0.13 -1.91 -2.44 132.00 131.06 3hkz h PRO 381 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3hkz h PRO 381 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3hkz h PRO 381 CO 0.55 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.07 3hkz n ASP 382 N -2.78 0.21 0.00 1.44 8.00 -1.26 -4.89 116.55 117.28 3hkz n ASP 382 Ca -0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 3hkz n ASP 382 Cb 0.21 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 40.73 3hkz n ASP 382 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hkz n GLY 383 N 1.43 2.06 3.52 0.44 0.00 -0.92 -4.99 105.19 106.72 3hkz n GLY 383 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 3hkz n GLY 383 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hkz n ARG 384 N -2.00 1.14 -2.30 1.61 3.00 -1.26 -4.66 116.66 112.18 3hkz n ARG 384 Ca 0.00 0.21 -0.40 0.00 -0.00 0.00 0.00 57.85 57.66 3hkz n ARG 384 Cb 0.00 -2.85 -0.03 0.00 0.00 0.00 0.00 32.46 29.58 3hkz n ARG 384 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3hkz s ARG 385 N 7.28 3.05 -0.26 -0.14 0.52 -1.26 -1.69 118.95 126.44 3hkz s ARG 385 Ca 1.07 0.37 -0.10 0.00 -0.52 0.00 0.00 55.73 56.56 3hkz s ARG 385 Cb -0.56 -4.23 -0.04 0.00 0.52 0.00 0.00 34.95 30.64 3hkz s ARG 385 CO 0.38 -2.25 0.14 0.42 0.02 0.00 0.00 175.30 174.01 3hkz s ILE 386 N 7.02 4.96 1.38 1.52 1.01 -1.26 -5.00 121.20 130.83 3hkz s ILE 386 Ca 0.54 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 61.03 3hkz s ILE 386 Cb -0.11 -3.34 0.34 0.00 0.01 0.00 0.00 42.46 39.36 3hkz s ILE 386 CO 0.21 0.29 0.82 -0.67 0.00 0.00 0.00 174.94 175.60 3hkz n ASP 387 N 4.92 -3.65 0.00 3.58 4.64 -1.26 -2.62 116.55 122.16 3hkz n ASP 387 Ca -0.15 -0.70 0.00 0.00 -1.38 0.00 0.00 54.79 52.56 3hkz n ASP 387 Cb 0.52 -1.02 0.00 0.00 -1.04 0.00 0.00 41.12 39.58 3hkz n ASP 387 CO 0.00 0.00 0.00 -0.11 -0.82 0.00 0.00 177.20 176.27 3hkz n LEU 388 N -5.13 0.00 -0.17 -2.67 0.00 -1.26 -4.70 117.00 103.07 3hkz n LEU 388 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 56.01 56.08 3hkz n LEU 388 Cb 0.57 0.00 0.06 0.00 0.00 0.00 0.00 43.42 44.05 3hkz n LEU 388 CO 0.42 0.00 0.98 0.03 0.00 0.00 0.00 177.39 178.82 3hkz h ARG 389 N 0.00 0.39 0.00 1.96 3.08 -1.93 -3.44 114.38 114.45 3hkz h ARG 389 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3hkz h ARG 389 Cb 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.96 3hkz h ARG 389 CO 0.00 0.26 0.00 2.48 -1.07 0.00 0.00 179.97 181.64 3hkz n TYR 390 N -4.96 -0.35 -1.97 3.04 0.18 -1.26 -4.93 117.16 106.90 3hkz n TYR 390 Ca 0.05 0.00 -0.02 0.00 1.88 0.00 0.00 57.90 59.81 3hkz n TYR 390 Cb 0.19 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.13 3hkz n TYR 390 CO 0.00 0.00 0.00 0.28 -2.08 0.00 0.00 176.86 175.06 3hkz n VAL 391 N -0.12 -7.70 0.00 -3.48 0.31 -1.26 -4.96 118.33 101.12 3hkz n VAL 391 Ca 0.00 1.36 0.00 0.00 -0.01 0.00 0.00 64.34 65.69 3hkz n VAL 391 Cb 0.00 -4.89 0.00 0.00 -0.91 0.00 0.00 33.84 28.04 3hkz n VAL 391 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3hkz n LYS 392 N 0.82 0.00 0.00 5.55 4.01 -1.26 -4.49 118.16 122.79 3hkz n LYS 392 Ca -0.18 0.11 0.00 0.00 -0.51 0.00 0.00 58.31 57.73 3hkz n LYS 392 Cb 0.28 -0.80 0.00 0.00 -0.51 0.00 0.00 35.03 33.99 3hkz n LYS 392 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3hkz n ASP 393 N -0.41 0.00 0.00 4.39 9.92 -1.26 -4.55 116.55 124.64 3hkz n ASP 393 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 3hkz n ASP 393 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 3hkz n ASP 393 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 3hkz n ARG 394 N 0.00 0.00 -0.34 -1.24 0.63 -1.26 -3.52 116.66 110.93 3hkz n ARG 394 Ca 0.00 0.00 0.19 0.00 -0.92 0.00 0.00 57.85 57.12 3hkz n ARG 394 Cb 0.00 0.00 0.41 0.00 0.45 0.00 0.00 32.46 33.32 3hkz n ARG 394 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 3hkz h LYS 395 N 0.00 0.50 0.01 -0.14 3.64 -1.87 0.61 116.57 119.32 3hkz h LYS 395 Ca 0.00 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3hkz h LYS 395 Cb 0.00 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.71 3hkz h LYS 395 CO 0.00 0.33 -0.00 0.93 -2.27 0.00 0.00 179.45 178.44 3hkz h GLU 396 N 0.52 -0.01 0.00 1.90 5.08 -1.92 -3.31 114.58 116.83 3hkz h GLU 396 Ca 0.67 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.03 3hkz h GLU 396 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 3hkz h GLU 396 CO -0.50 0.25 0.00 1.28 -1.00 0.00 0.00 179.01 179.04 3hkz n LEU 397 N -4.74 0.00 -0.17 1.33 4.77 -1.09 -1.48 117.00 115.62 3hkz n LEU 397 Ca -0.03 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 3hkz n LEU 397 Cb 0.12 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hkz n LEU 397 CO 0.09 -0.08 0.73 0.00 -1.33 0.00 0.00 177.39 176.80 3hkz h ALA 398 N 2.68 0.68 -0.27 -1.18 0.00 0.14 -3.26 119.26 118.06 3hkz h ALA 398 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3hkz h ALA 398 Cb 0.05 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3hkz h ALA 398 CO 0.00 0.59 0.00 -1.13 0.00 0.00 0.00 179.25 178.71 3hkz n SER 399 N -4.21 2.92 0.17 0.00 3.41 -0.55 -3.32 113.62 112.05 3hkz n SER 399 Ca 0.01 -1.92 0.02 0.00 -0.26 0.00 0.00 58.87 56.72 3hkz n SER 399 Cb 0.39 -0.17 0.30 0.00 -0.26 0.00 0.00 64.21 64.48 3hkz n SER 399 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hkz h THR 400 N 3.95 1.25 -1.93 6.66 2.02 -1.58 -3.45 112.91 119.83 3hkz h THR 400 Ca 0.00 -1.58 -0.64 0.00 0.77 0.00 0.00 66.41 64.96 3hkz h THR 400 Cb 0.86 1.86 0.02 0.00 -1.74 0.00 0.00 68.15 69.16 3hkz h THR 400 CO 0.00 0.44 1.06 0.18 0.37 0.00 0.00 175.52 177.57 3hkz n LEU 401 N -3.90 3.23 -4.03 2.58 4.77 -1.21 -5.00 117.00 113.43 3hkz n LEU 401 Ca -0.01 0.99 -0.12 0.00 -0.03 0.00 0.00 56.01 56.84 3hkz n LEU 401 Cb 0.49 -1.32 -0.12 0.00 -2.33 0.00 0.00 43.42 40.14 3hkz n LEU 401 CO 0.39 -0.13 -0.39 0.00 -1.33 0.00 0.00 177.39 175.93 3hkz s ALA 402 N 3.94 0.46 -0.26 -1.18 0.00 -1.26 -5.09 121.76 118.37 3hkz s ALA 402 Ca 0.94 -0.68 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 3hkz s ALA 402 Cb -0.77 0.05 -0.10 0.00 0.00 0.00 0.00 23.12 22.30 3hkz s ALA 402 CO 0.54 -0.04 0.98 -2.30 0.00 0.00 0.00 175.76 174.94 3hkz n PRO 403 N 1.63 0.00 0.00 0.00 -0.02 -1.26 -2.39 135.00 132.97 3hkz n PRO 403 Ca -0.22 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.26 3hkz n PRO 403 Cb 0.55 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 3hkz n PRO 403 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hkz n GLY 404 N 2.97 3.87 3.77 -1.23 0.00 -1.22 -5.03 105.19 108.32 3hkz n GLY 404 Ca 0.22 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.26 3hkz n GLY 404 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hkz s TYR 405 N 0.00 3.08 -0.29 1.61 1.51 -1.00 -3.86 117.35 118.39 3hkz s TYR 405 Ca 0.00 1.54 0.02 0.00 -1.01 0.00 0.00 57.07 57.62 3hkz s TYR 405 Cb 0.00 -3.44 0.07 0.00 -0.11 0.00 0.00 41.96 38.48 3hkz s TYR 405 CO 0.00 -1.38 -0.04 0.42 -1.11 0.00 0.00 175.55 173.43 3hkz s ILE 406 N -1.35 2.34 0.05 2.71 1.09 -0.81 -0.85 121.20 124.37 3hkz s ILE 406 Ca 0.55 -1.82 -0.14 0.00 -1.10 0.00 0.00 60.65 58.14 3hkz s ILE 406 Cb -0.32 -2.48 -0.06 0.00 -1.06 0.00 0.00 42.46 38.54 3hkz s ILE 406 CO 0.41 -0.22 0.45 0.27 -0.10 0.00 0.00 174.94 175.75 3hkz s ILE 407 N 1.07 4.98 -0.80 2.92 -5.25 -0.95 -2.02 121.20 121.14 3hkz s ILE 407 Ca -0.03 0.80 -0.17 0.00 -0.99 0.00 0.00 60.65 60.27 3hkz s ILE 407 Cb -0.20 -3.72 0.15 0.00 2.95 0.00 0.00 42.46 41.64 3hkz s ILE 407 CO -0.05 0.46 0.90 -1.61 -1.79 0.00 0.00 174.94 172.85 3hkz s GLU 408 N -1.39 3.45 0.68 0.37 2.02 -1.04 -2.71 118.70 120.07 3hkz s GLU 408 Ca 0.28 -1.86 -0.13 0.00 0.02 0.00 0.00 54.97 53.28 3hkz s GLU 408 Cb -0.16 -4.58 0.01 0.00 0.10 0.00 0.00 34.13 29.50 3hkz s GLU 408 CO 0.16 -1.56 1.09 0.50 0.02 0.00 0.00 175.26 175.47 3hkz s ARG 409 N 1.90 2.80 1.19 1.61 3.52 -0.91 -3.65 118.95 125.41 3hkz s ARG 409 Ca 0.22 1.23 -0.13 0.00 -0.13 0.00 0.00 55.73 56.92 3hkz s ARG 409 Cb -0.12 -1.96 0.30 0.00 -1.56 0.00 0.00 34.95 31.61 3hkz s ARG 409 CO -0.05 -1.23 1.01 0.72 -0.81 0.00 0.00 175.30 174.94 3hkz n HIS 410 N -2.72 -1.32 -2.53 5.12 8.25 0.65 -2.29 115.22 120.39 3hkz n HIS 410 Ca 0.09 -0.17 -0.38 0.00 -0.26 0.00 0.00 57.72 57.00 3hkz n HIS 410 Cb 0.53 -1.69 -0.04 0.00 1.12 0.00 0.00 29.99 29.90 3hkz n HIS 410 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3hkz s LEU 411 N -7.26 4.35 0.04 2.41 2.96 -0.66 -4.38 118.68 116.13 3hkz s LEU 411 Ca 0.69 2.13 -0.01 0.00 -0.22 0.00 0.00 54.13 56.72 3hkz s LEU 411 Cb -0.26 -3.91 -0.03 0.00 0.50 0.00 0.00 46.19 42.50 3hkz s LEU 411 CO 0.65 -0.30 -0.02 0.27 -1.32 0.00 0.00 176.35 175.63 3hkz s ILE 412 N -1.42 0.16 0.19 6.68 -5.25 -1.26 -4.91 121.20 115.39 3hkz s ILE 412 Ca 0.51 -1.34 -0.33 0.00 -0.99 0.00 0.00 60.65 58.50 3hkz s ILE 412 Cb -0.26 -0.88 -0.15 0.00 2.95 0.00 0.00 42.46 44.11 3hkz s ILE 412 CO 0.34 -0.74 1.31 0.47 -1.79 0.00 0.00 174.94 174.53 3hkz n ASP 413 N 0.86 2.06 -0.32 4.36 10.43 -1.26 -1.67 116.55 131.01 3hkz n ASP 413 Ca -0.19 1.13 -0.02 0.00 2.57 0.00 0.00 54.79 58.28 3hkz n ASP 413 Cb 0.58 -1.31 0.00 0.00 1.84 0.00 0.00 41.12 42.23 3hkz n ASP 413 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3hkz n GLY 414 N 2.25 0.38 3.49 0.44 0.00 -0.79 -4.97 105.19 105.99 3hkz n GLY 414 Ca 0.14 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.01 3hkz n GLY 414 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hkz s ASP 415 N -2.93 5.53 0.16 1.61 -1.08 -0.67 -4.85 116.67 114.43 3hkz s ASP 415 Ca 0.01 -0.26 -0.32 0.00 -0.52 0.00 0.00 52.55 51.46 3hkz s ASP 415 Cb -0.00 -2.01 -0.12 0.00 -1.46 0.00 0.00 42.92 39.33 3hkz s ASP 415 CO 0.01 -0.09 1.73 -0.38 0.52 0.00 0.00 175.17 176.96 3hkz n ILE 416 N 4.98 0.13 -3.73 4.11 -0.00 -1.26 -1.82 119.36 121.78 3hkz n ILE 416 Ca -0.15 -0.02 -0.15 0.00 -0.00 0.00 0.00 62.75 62.43 3hkz n ILE 416 Cb 0.51 -1.91 -0.15 0.00 -0.00 0.00 0.00 39.64 38.09 3hkz n ILE 416 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3hkz s VAL 417 N 1.70 -0.09 0.01 1.39 1.01 0.41 -4.53 120.40 120.29 3hkz s VAL 417 Ca 0.79 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 62.71 3hkz s VAL 417 Cb -0.55 -0.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3hkz s VAL 417 CO 0.36 0.10 1.12 -0.76 0.00 0.00 0.00 175.10 175.92 3hkz s LEU 418 N 1.41 4.34 0.01 3.92 1.02 -0.51 0.45 118.68 129.32 3hkz s LEU 418 Ca -0.06 1.84 0.05 0.00 0.02 0.00 0.00 54.13 55.98 3hkz s LEU 418 Cb -0.12 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.50 3hkz s LEU 418 CO -0.05 -0.44 -0.17 0.12 0.02 0.00 0.00 176.35 175.84 3hkz s PHE 419 N 1.37 1.47 -0.27 0.29 5.36 -0.26 -0.66 117.98 125.28 3hkz s PHE 419 Ca 0.55 -0.31 -0.15 0.00 -0.96 0.00 0.00 56.93 56.06 3hkz s PHE 419 Cb -0.25 -0.91 0.09 0.00 -0.34 0.00 0.00 43.02 41.60 3hkz s PHE 419 CO 0.26 0.02 0.66 1.21 -1.46 0.00 0.00 175.22 175.91 3hkz s ASN 420 N -0.73 -0.94 -0.26 6.13 3.04 -0.39 -2.23 114.94 119.56 3hkz s ASN 420 Ca 0.05 1.48 -0.07 0.00 0.04 0.00 0.00 52.86 54.37 3hkz s ASN 420 Cb -0.07 1.48 -0.01 0.00 -1.54 0.00 0.00 41.25 41.10 3hkz s ASN 420 CO 0.00 -0.23 0.06 -0.60 -3.04 0.00 0.00 177.10 173.29 3hkz s ARG 421 N 1.81 3.41 0.42 0.43 3.52 -1.25 0.15 118.95 127.44 3hkz s ARG 421 Ca -0.09 -0.64 0.00 0.00 -0.13 0.00 0.00 55.73 54.87 3hkz s ARG 421 Cb -0.06 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 30.01 3hkz s ARG 421 CO -0.19 -0.29 0.64 1.14 -0.81 0.00 0.00 175.30 175.79 3hkz s GLN 422 N 1.56 3.23 -0.20 5.12 -2.07 -1.26 -4.07 119.66 121.96 3hkz s GLN 422 Ca 0.05 -0.40 -0.31 0.00 -1.82 0.00 0.00 55.36 52.88 3hkz s GLN 422 Cb -0.16 -2.58 -0.08 0.00 -1.09 0.00 0.00 33.01 29.10 3hkz s GLN 422 CO 0.02 -0.12 2.14 -0.35 -1.32 0.00 0.00 175.29 175.66 3hkz n PRO 423 N -1.99 1.88 -2.62 9.60 -0.04 -1.26 -5.03 135.00 135.53 3hkz n PRO 423 Ca -0.01 0.57 -0.42 0.00 -0.04 0.00 0.00 63.50 63.60 3hkz n PRO 423 Cb 0.57 -2.95 -0.02 0.00 -0.04 0.00 0.00 33.50 31.06 3hkz n PRO 423 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hkz s SER 424 N 7.09 6.64 -0.42 3.54 0.15 -1.26 -4.84 113.70 124.60 3hkz s SER 424 Ca 1.01 -1.86 0.05 0.00 0.70 0.00 0.00 55.95 55.85 3hkz s SER 424 Cb -0.52 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 61.67 3hkz s SER 424 CO 0.42 -1.33 1.12 0.00 1.20 0.00 0.00 173.24 174.64 3hkz n LEU 425 N 8.34 4.72 0.00 3.45 -0.00 -1.26 -4.93 117.00 127.32 3hkz n LEU 425 Ca 0.37 -5.16 0.00 0.00 -0.00 0.00 0.00 56.01 51.22 3hkz n LEU 425 Cb 0.49 -0.44 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 3hkz n LEU 425 CO 0.67 2.22 0.00 1.57 -0.00 0.00 0.00 177.39 181.85 3hkz n HIS 426 N -0.50 0.00 -0.47 1.47 -0.00 -1.26 -5.03 115.22 109.43 3hkz n HIS 426 Ca 0.39 0.00 0.39 0.00 -0.00 0.00 0.00 57.72 58.51 3hkz n HIS 426 Cb 0.70 0.00 0.67 0.00 -0.00 0.00 0.00 29.99 31.36 3hkz n HIS 426 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 3hkz h ARG 427 N 0.00 0.05 0.00 1.57 2.43 -1.95 1.59 114.38 118.07 3hkz h ARG 427 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3hkz h ARG 427 Cb 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3hkz h ARG 427 CO 0.00 0.03 0.00 1.51 -1.51 0.00 0.00 179.97 180.00 3hkz n ILE 428 N -4.66 0.00 1.28 1.20 0.13 -1.26 -2.43 119.36 113.63 3hkz n ILE 428 Ca 0.39 0.00 0.14 0.00 -1.10 0.00 0.00 62.75 62.18 3hkz n ILE 428 Cb 1.52 -0.39 0.70 0.00 -0.84 0.00 0.00 39.64 40.64 3hkz n ILE 428 CO 0.00 0.00 0.00 -1.20 2.80 0.00 0.00 176.55 178.15 3hkz n SER 429 N -0.86 0.00 -4.13 9.51 7.64 0.54 -4.47 113.62 121.85 3hkz n SER 429 Ca 0.16 0.01 -0.25 0.00 1.01 0.00 0.00 58.87 59.80 3hkz n SER 429 Cb 0.07 -0.33 -0.16 0.00 -1.01 0.00 0.00 64.21 62.78 3hkz n SER 429 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 3hkz s MET 430 N -2.67 1.58 -0.04 1.43 -1.94 -1.02 -3.84 119.30 112.80 3hkz s MET 430 Ca 0.24 -0.58 -0.15 0.00 -1.71 0.00 0.00 55.69 53.49 3hkz s MET 430 Cb 0.19 -1.42 0.03 0.00 2.01 0.00 0.00 34.83 35.64 3hkz s MET 430 CO 0.46 0.27 0.35 -1.64 -0.01 0.00 0.00 175.02 174.45 3hkz s MET 431 N -0.09 0.64 -0.29 2.03 1.00 -0.94 -4.98 119.30 116.67 3hkz s MET 431 Ca -0.00 -0.01 -0.29 0.00 0.00 0.00 0.00 55.69 55.38 3hkz s MET 431 Cb -0.10 0.29 0.00 0.00 0.00 0.00 0.00 34.83 35.03 3hkz s MET 431 CO 0.01 -0.17 1.25 0.00 0.00 0.00 0.00 175.02 176.12 3hkz s ALA 432 N -1.00 3.43 -0.08 3.03 0.00 0.53 -1.10 121.76 126.56 3hkz s ALA 432 Ca -0.11 0.11 -0.00 0.00 0.00 0.00 0.00 51.96 51.97 3hkz s ALA 432 Cb -0.04 -3.74 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 3hkz s ALA 432 CO 0.04 -1.65 -0.05 -1.01 0.00 0.00 0.00 175.76 173.09 3hkz s HIS 433 N 4.13 2.99 0.15 0.00 3.76 0.17 -1.99 115.29 124.50 3hkz s HIS 433 Ca 0.54 0.00 -0.30 0.00 -0.15 0.00 0.00 55.06 55.15 3hkz s HIS 433 Cb -0.16 -1.76 -0.07 0.00 1.11 0.00 0.00 32.58 31.69 3hkz s HIS 433 CO 0.21 0.30 1.19 1.03 -0.85 0.00 0.00 174.74 176.61 3hkz s ARG 434 N -0.65 4.48 0.04 1.40 0.52 -1.15 -0.45 118.95 123.14 3hkz s ARG 434 Ca 0.10 1.83 -0.19 0.00 -0.52 0.00 0.00 55.73 56.94 3hkz s ARG 434 Cb -0.12 -3.28 -0.06 0.00 0.52 0.00 0.00 34.95 32.02 3hkz s ARG 434 CO 0.02 -0.12 0.55 0.54 0.02 0.00 0.00 175.30 176.31 3hkz s VAL 435 N 0.28 4.83 -0.54 3.52 0.11 -0.75 0.11 120.40 127.96 3hkz s VAL 435 Ca 0.54 1.17 0.04 0.00 -2.93 0.00 0.00 61.98 60.80 3hkz s VAL 435 Cb -0.31 -3.88 0.15 0.00 -1.53 0.00 0.00 36.38 30.80 3hkz s VAL 435 CO 0.34 0.51 0.32 -0.60 -3.33 0.00 0.00 175.10 172.35 3hkz s ARG 436 N -0.81 1.83 0.07 1.54 6.06 0.18 -1.88 118.95 125.96 3hkz s ARG 436 Ca 0.29 -2.61 -0.36 0.00 -2.50 0.00 0.00 55.73 50.55 3hkz s ARG 436 Cb -0.19 -2.92 -0.15 0.00 0.06 0.00 0.00 34.95 31.74 3hkz s ARG 436 CO 0.18 -1.19 1.48 0.28 -2.50 0.00 0.00 175.30 173.54 3hkz n VAL 437 N 2.90 0.05 -3.66 7.11 0.31 -1.26 -2.50 118.33 121.29 3hkz n VAL 437 Ca 0.12 -0.01 -0.12 0.00 -0.01 0.00 0.00 64.34 64.32 3hkz n VAL 437 Cb 0.35 -1.13 -0.06 0.00 -0.91 0.00 0.00 33.84 32.09 3hkz n VAL 437 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 3hkz s LEU 438 N 1.04 0.43 0.46 7.52 2.34 0.19 -4.84 118.68 125.82 3hkz s LEU 438 Ca 0.84 -0.15 -0.25 0.00 0.06 0.00 0.00 54.13 54.63 3hkz s LEU 438 Cb -0.86 1.76 -0.08 0.00 -0.56 0.00 0.00 46.19 46.45 3hkz s LEU 438 CO 0.46 -0.75 1.44 -0.54 -1.06 0.00 0.00 176.35 175.90 3hkz s LYS 439 N -3.08 3.63 0.00 1.48 1.02 -1.26 -2.84 119.74 118.69 3hkz s LYS 439 Ca -0.01 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.41 3hkz s LYS 439 Cb 0.00 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 3hkz s LYS 439 CO -0.07 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 173.90 3hkz n GLY 440 N 0.58 2.86 0.05 -3.33 0.00 -1.26 -4.92 105.19 99.16 3hkz n GLY 440 Ca 0.05 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.25 3hkz n GLY 440 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 441 N 0.00 0.60 -4.95 0.99 4.77 -1.26 -4.15 117.00 112.99 3hkz n LEU 441 Ca 0.00 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.99 3hkz n LEU 441 Cb 0.00 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 40.86 3hkz n LEU 441 CO 0.00 -0.02 0.29 0.42 -1.33 0.00 0.00 177.39 176.75 3hkz s THR 442 N -3.10 4.04 -0.03 -5.08 -4.23 -1.26 -4.79 115.64 101.19 3hkz s THR 442 Ca 0.09 -0.47 -0.25 0.00 -1.18 0.00 0.00 61.69 59.87 3hkz s THR 442 Cb 0.15 -3.50 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 3hkz s THR 442 CO 0.68 -0.35 0.77 -0.36 -0.54 0.00 0.00 174.62 174.82 3hkz s PHE 443 N -2.56 3.63 -0.03 3.99 2.99 -0.36 -3.90 117.98 121.74 3hkz s PHE 443 Ca 0.48 1.38 -0.03 0.00 0.00 0.00 0.00 56.93 58.77 3hkz s PHE 443 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 43.02 40.02 3hkz s PHE 443 CO 0.38 0.11 0.13 1.03 -0.00 0.00 0.00 175.22 176.88 3hkz s ARG 444 N 0.64 3.30 0.05 0.44 1.81 0.04 0.16 118.95 125.38 3hkz s ARG 444 Ca 0.40 -0.35 0.06 0.00 -1.72 0.00 0.00 55.73 54.13 3hkz s ARG 444 Cb -0.19 -3.02 -0.02 0.00 -0.45 0.00 0.00 34.95 31.26 3hkz s ARG 444 CO 0.21 0.69 -0.17 -1.17 -0.68 0.00 0.00 175.30 174.18 3hkz s LEU 445 N -1.66 2.19 -0.36 2.53 2.96 -0.99 -2.49 118.68 120.85 3hkz s LEU 445 Ca 0.23 -0.51 -0.28 0.00 -0.22 0.00 0.00 54.13 53.35 3hkz s LEU 445 Cb -0.12 -0.74 0.02 0.00 0.50 0.00 0.00 46.19 45.85 3hkz s LEU 445 CO 0.14 0.07 1.06 0.21 -1.32 0.00 0.00 176.35 176.51 3hkz s ASN 446 N -1.26 6.82 0.44 3.68 3.04 -1.25 -1.55 114.94 124.86 3hkz s ASN 446 Ca 0.04 0.84 0.32 0.00 0.04 0.00 0.00 52.86 54.10 3hkz s ASN 446 Cb -0.08 -2.53 1.11 0.00 -1.54 0.00 0.00 41.25 38.21 3hkz s ASN 446 CO 0.02 -0.96 1.13 0.18 -3.04 0.00 0.00 177.10 174.43 3hkz n LEU 447 N 7.06 0.00 0.18 3.21 4.77 -1.25 0.23 117.00 131.20 3hkz n LEU 447 Ca 0.11 0.70 0.03 0.00 -0.03 0.00 0.00 56.01 56.83 3hkz n LEU 447 Cb 0.48 -0.32 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 3hkz n LEU 447 CO 0.62 -0.70 0.64 -0.07 -1.33 0.00 0.00 177.39 176.55 3hkz h LEU 448 N 0.00 0.00 -2.44 2.23 3.38 -1.91 -3.14 115.31 113.43 3hkz h LEU 448 Ca 0.60 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.57 3hkz h LEU 448 Cb 2.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 43.44 3hkz h LEU 448 CO -0.01 0.44 0.00 0.52 0.09 0.00 0.00 178.44 179.48 3hkz n VAL 449 N -3.68 0.63 -0.02 1.22 0.31 0.63 -2.82 118.33 114.59 3hkz n VAL 449 Ca -0.01 -0.81 -0.09 0.00 -0.01 0.00 0.00 64.34 63.42 3hkz n VAL 449 Cb 0.52 0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 34.28 3hkz n VAL 449 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3hkz h PRO 451 N -0.01 1.14 0.22 0.00 0.11 -1.81 0.14 132.00 131.79 3hkz h PRO 451 Ca 0.07 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 3hkz h PRO 451 Cb 0.12 -0.26 0.00 0.00 0.11 0.00 0.00 31.00 30.98 3hkz h PRO 451 CO -0.16 0.75 -0.11 -1.00 -0.21 0.00 0.00 178.00 177.28 3hkz h PRO 452 N 1.17 -0.29 -0.04 1.05 0.13 -1.69 -3.15 132.00 129.19 3hkz h PRO 452 Ca 0.37 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.52 3hkz h PRO 452 Cb 0.01 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.20 3hkz h PRO 452 CO -0.11 -0.16 0.02 1.88 -0.23 0.00 0.00 178.00 179.41 3hkz h TYR 453 N -0.34 0.05 -2.06 1.56 0.99 -1.64 -3.45 116.97 112.08 3hkz h TYR 453 Ca -0.03 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.70 3hkz h TYR 453 Cb 0.26 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.98 3hkz h TYR 453 CO -0.05 0.08 0.00 -1.71 -0.00 0.00 0.00 178.16 176.49 3hkz n ASN 454 N -5.04 -1.37 -3.92 3.88 5.15 0.47 -4.94 115.26 109.50 3hkz n ASN 454 Ca -0.06 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.62 3hkz n ASN 454 Cb 0.05 -0.46 -0.16 0.00 -0.53 0.00 0.00 39.78 38.69 3hkz n ASN 454 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hkz s ALA 455 N -2.69 1.86 0.69 5.20 0.00 -1.17 -5.04 121.76 120.62 3hkz s ALA 455 Ca 0.00 -1.29 -0.02 0.00 0.00 0.00 0.00 51.96 50.66 3hkz s ALA 455 Cb 0.00 -1.41 0.12 0.00 0.00 0.00 0.00 23.12 21.83 3hkz s ALA 455 CO 0.00 -1.19 0.79 -0.40 0.00 0.00 0.00 175.76 174.96 3hkz n ASP 456 N 4.71 0.92 -0.46 0.00 5.75 -1.26 -4.81 116.55 121.40 3hkz n ASP 456 Ca -0.12 -1.81 0.07 0.00 -0.01 0.00 0.00 54.79 52.92 3hkz n ASP 456 Cb 0.44 -0.53 0.19 0.00 -1.03 0.00 0.00 41.12 40.20 3hkz n ASP 456 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3hkz n PHE 457 N -2.61 0.00 0.96 2.11 3.01 -1.26 -4.26 117.46 115.40 3hkz n PHE 457 Ca 0.13 -1.35 0.01 0.00 1.01 0.00 0.00 57.45 57.24 3hkz n PHE 457 Cb 0.45 -0.22 0.05 0.00 -0.01 0.00 0.00 39.48 39.75 3hkz n PHE 457 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3hkz n ASP 458 N -1.19 0.00 -0.02 4.37 5.75 -1.26 -4.74 116.55 119.46 3hkz n ASP 458 Ca 0.18 -0.91 0.00 0.00 -0.01 0.00 0.00 54.79 54.05 3hkz n ASP 458 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.77 3hkz n ASP 458 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hkz n GLY 459 N -0.02 1.14 3.83 6.12 0.00 -1.26 -5.12 105.19 109.87 3hkz n GLY 459 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3hkz n GLY 459 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 460 N -2.04 5.22 -0.07 1.61 1.01 -1.26 -4.94 116.67 116.19 3hkz s ASP 460 Ca 0.00 1.46 0.05 0.00 0.71 0.00 0.00 52.55 54.77 3hkz s ASP 460 Cb 0.00 -2.31 -0.00 0.00 1.01 0.00 0.00 42.92 41.62 3hkz s ASP 460 CO 0.00 -1.53 -0.23 -1.61 0.21 0.00 0.00 175.17 172.01 3hkz s GLU 461 N -5.12 2.64 0.11 8.23 2.02 -1.26 -2.98 118.70 122.34 3hkz s GLU 461 Ca 0.58 -0.84 0.07 0.00 0.02 0.00 0.00 54.97 54.80 3hkz s GLU 461 Cb -0.14 -2.12 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 3hkz s GLU 461 CO 0.54 0.27 -0.08 -1.64 0.02 0.00 0.00 175.26 174.37 3hkz s MET 462 N 0.10 2.21 0.22 1.61 -1.94 -0.87 -4.58 119.30 116.05 3hkz s MET 462 Ca -0.10 -1.00 -0.04 0.00 -1.71 0.00 0.00 55.69 52.84 3hkz s MET 462 Cb -0.15 -2.35 -0.05 0.00 2.01 0.00 0.00 34.83 34.29 3hkz s MET 462 CO 0.06 0.51 0.45 -0.80 -0.01 0.00 0.00 175.02 175.23 3hkz s ASN 463 N -2.27 6.45 0.11 3.03 0.01 0.40 -2.67 114.94 120.01 3hkz s ASN 463 Ca 0.23 0.60 0.10 0.00 -0.71 0.00 0.00 52.86 53.07 3hkz s ASN 463 Cb -0.11 -2.09 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 3hkz s ASN 463 CO 0.15 -0.07 -0.25 -0.22 -1.51 0.00 0.00 177.10 175.20 3hkz s LEU 464 N -3.17 2.30 -0.02 0.60 1.98 0.37 -1.26 118.68 119.48 3hkz s LEU 464 Ca 0.42 -0.71 0.00 0.00 -2.89 0.00 0.00 54.13 50.95 3hkz s LEU 464 Cb -0.11 -1.10 0.03 0.00 0.66 0.00 0.00 46.19 45.66 3hkz s LEU 464 CO 0.27 0.14 0.03 -1.00 -1.89 0.00 0.00 176.35 173.90 3hkz s HIS 465 N -1.07 0.03 -0.34 5.38 3.76 0.16 -1.91 115.29 121.30 3hkz s HIS 465 Ca 0.11 0.11 -0.12 0.00 -0.15 0.00 0.00 55.06 55.01 3hkz s HIS 465 Cb -0.10 -0.21 -0.00 0.00 1.11 0.00 0.00 32.58 33.38 3hkz s HIS 465 CO 0.05 -0.08 0.21 0.08 -0.85 0.00 0.00 174.74 174.15 3hkz s VAL 466 N 0.92 4.93 0.24 -0.90 1.01 -1.23 -1.43 120.40 123.94 3hkz s VAL 466 Ca -0.08 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 3hkz s VAL 466 Cb -0.11 -3.59 -0.09 0.00 0.00 0.00 0.00 36.38 32.59 3hkz s VAL 466 CO -0.03 -0.06 1.15 -2.16 0.00 0.00 0.00 175.10 174.00 3hkz s PRO 467 N 1.65 4.56 -0.22 2.72 0.04 -1.26 -4.90 135.00 137.60 3hkz s PRO 467 Ca 0.05 1.85 -0.19 0.00 0.04 0.00 0.00 61.00 62.75 3hkz s PRO 467 Cb -0.18 -3.21 -0.16 0.00 0.04 0.00 0.00 34.50 31.00 3hkz s PRO 467 CO 0.08 0.07 0.03 1.04 0.04 0.00 0.00 177.00 178.26 3hkz n GLN 468 N 1.76 0.56 -1.78 4.56 1.13 -1.26 -4.73 117.38 117.62 3hkz n GLN 468 Ca 0.01 0.49 -0.38 0.00 -1.94 0.00 0.00 57.00 55.19 3hkz n GLN 468 Cb 0.45 -1.67 0.05 0.00 0.11 0.00 0.00 30.24 29.17 3hkz n GLN 468 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 3hkz s SER 469 N -6.87 5.02 0.11 1.08 0.01 -1.26 -4.66 113.70 107.13 3hkz s SER 469 Ca -0.30 2.70 -0.31 0.00 1.31 0.00 0.00 55.95 59.35 3hkz s SER 469 Cb 0.08 -2.63 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 3hkz s SER 469 CO 0.53 -1.73 1.59 -0.33 0.41 0.00 0.00 173.24 173.70 3hkz h GLU 470 N 1.10 -0.60 -0.14 12.44 3.07 -1.93 -1.19 114.58 127.33 3hkz h GLU 470 Ca -0.51 0.04 0.05 0.00 -0.50 0.00 0.00 59.36 58.44 3hkz h GLU 470 Cb 1.31 0.14 -0.06 0.00 -0.84 0.00 0.00 28.75 29.30 3hkz h GLU 470 CO 0.56 -0.40 -0.25 0.93 -1.40 0.00 0.00 179.01 178.44 3hkz h GLU 471 N -0.62 -0.30 -0.36 2.33 5.08 -1.99 -2.33 114.58 116.38 3hkz h GLU 471 Ca 0.03 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.48 3hkz h GLU 471 Cb 0.67 0.07 -0.07 0.00 0.50 0.00 0.00 28.75 29.92 3hkz h GLU 471 CO -0.26 -0.20 -0.09 0.00 -1.00 0.00 0.00 179.01 177.46 3hkz h ALA 472 N 0.63 0.23 0.33 3.43 0.00 -1.91 0.65 119.26 122.63 3hkz h ALA 472 Ca 0.10 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3hkz h ALA 472 Cb 0.47 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3hkz h ALA 472 CO -0.32 -0.46 -0.21 -0.84 0.00 0.00 0.00 179.25 177.43 3hkz h ILE 473 N -0.00 0.57 -0.13 0.00 3.07 -0.95 0.18 117.51 120.24 3hkz h ILE 473 Ca 0.17 0.00 0.05 0.00 1.55 0.00 0.00 64.86 66.63 3hkz h ILE 473 Cb 0.26 0.57 -0.06 0.00 -0.27 0.00 0.00 36.82 37.32 3hkz h ILE 473 CO -0.37 0.00 -0.22 0.00 -1.05 0.00 0.00 178.15 176.52 3hkz h ALA 474 N 0.12 -0.17 -0.98 0.16 0.00 -0.87 0.73 119.26 118.25 3hkz h ALA 474 Ca -0.03 0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.12 3hkz h ALA 474 Cb 0.43 0.43 -0.11 0.00 0.00 0.00 0.00 17.79 18.54 3hkz h ALA 474 CO 0.03 -0.67 0.57 1.49 0.00 0.00 0.00 179.25 180.67 3hkz h GLU 475 N -0.27 0.65 0.27 0.00 4.81 0.65 0.13 114.58 120.81 3hkz h GLU 475 Ca 0.10 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3hkz h GLU 475 Cb 0.42 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3hkz h GLU 475 CO -0.29 0.43 -0.13 0.00 -0.73 0.00 0.00 179.01 178.29 3hkz h ALA 476 N 1.67 -0.36 -0.72 2.92 0.00 0.45 -2.58 119.26 120.64 3hkz h ALA 476 Ca 0.59 -0.18 0.14 0.00 0.00 0.00 0.00 54.91 55.46 3hkz h ALA 476 Cb 0.98 0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.77 3hkz h ALA 476 CO -0.42 -0.53 -0.20 -0.22 0.00 0.00 0.00 179.25 177.88 3hkz h LYS 477 N -0.70 -0.01 -0.01 0.00 3.64 0.12 0.29 116.57 119.90 3hkz h LYS 477 Ca -0.04 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.28 3hkz h LYS 477 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hkz h LYS 477 CO 0.06 -0.01 -0.25 1.49 -2.27 0.00 0.00 179.45 178.47 3hkz h GLU 478 N -0.01 0.18 0.11 1.90 4.57 -0.93 -3.04 114.58 117.36 3hkz h GLU 478 Ca 0.34 -0.18 -0.21 0.00 -1.18 0.00 0.00 59.36 58.12 3hkz h GLU 478 Cb 0.53 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.18 3hkz h GLU 478 CO -0.75 0.91 -1.03 0.82 -1.18 0.00 0.00 179.01 177.79 3hkz h ILE 479 N -0.48 1.30 -0.26 2.32 5.03 -1.41 -3.41 117.51 120.61 3hkz h ILE 479 Ca -0.03 -2.44 0.00 0.00 -0.12 0.00 0.00 64.86 62.27 3hkz h ILE 479 Cb 0.99 2.95 0.00 0.00 -3.03 0.00 0.00 36.82 37.73 3hkz h ILE 479 CO 0.05 0.68 0.00 0.23 -0.68 0.00 0.00 178.15 178.43 3hkz n MET 480 N -4.10 2.41 -1.40 2.37 2.81 0.98 -4.77 117.12 115.42 3hkz n MET 480 Ca -0.19 -1.82 -0.36 0.00 -1.81 0.00 0.00 57.70 53.51 3hkz n MET 480 Cb 0.82 -1.23 0.08 0.00 -0.71 0.00 0.00 33.22 32.18 3hkz n MET 480 CO 0.00 0.00 0.00 -0.11 1.51 0.00 0.00 175.97 177.37 3hkz n LEU 481 N 0.44 3.54 0.00 4.03 0.00 -0.98 0.20 117.00 124.23 3hkz n LEU 481 Ca 0.10 0.69 0.00 0.00 0.00 0.00 0.00 56.01 56.79 3hkz n LEU 481 Cb 0.38 -1.40 0.00 0.00 0.00 0.00 0.00 43.42 42.39 3hkz n LEU 481 CO 0.07 -2.02 0.20 0.52 0.00 0.00 0.00 177.39 176.17 3hkz n VAL 482 N -2.39 0.00 -0.07 1.96 0.31 -0.84 -3.34 118.33 113.95 3hkz n VAL 482 Ca 0.13 0.91 0.24 0.00 -0.01 0.00 0.00 64.34 65.61 3hkz n VAL 482 Cb 0.49 -1.86 0.53 0.00 -0.91 0.00 0.00 33.84 32.08 3hkz n VAL 482 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 3hkz h HIS 483 N 0.00 0.00 0.00 3.52 2.07 -1.91 1.88 115.15 120.71 3hkz h HIS 483 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 3hkz h HIS 483 Cb 0.00 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 29.97 3hkz h HIS 483 CO 0.00 0.00 -0.45 -0.22 -3.07 0.00 0.00 177.93 174.19 3hkz h LYS 484 N 0.00 0.00 -0.71 5.12 3.64 -1.93 -2.99 116.57 119.69 3hkz h LYS 484 Ca 0.36 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.48 3hkz h LYS 484 Cb 2.24 0.00 -0.16 0.00 -0.41 0.00 0.00 32.23 33.91 3hkz h LYS 484 CO -0.00 0.45 0.29 0.09 -2.27 0.00 0.00 179.45 178.01 3hkz n ASN 485 N -3.69 4.27 0.28 4.20 4.13 0.64 -4.65 115.26 120.44 3hkz n ASN 485 Ca -0.01 -3.36 0.15 0.00 1.68 0.00 0.00 54.58 53.04 3hkz n ASN 485 Cb 0.53 -0.74 0.82 0.00 -1.54 0.00 0.00 39.78 38.85 3hkz n ASN 485 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3hkz h ILE 486 N 2.06 0.47 -3.44 2.41 -0.00 -1.56 -3.39 117.51 114.06 3hkz h ILE 486 Ca 0.32 -0.35 -0.72 0.00 -0.00 0.00 0.00 64.86 64.11 3hkz h ILE 486 Cb 2.31 1.23 -0.25 0.00 -0.00 0.00 0.00 36.82 40.11 3hkz h ILE 486 CO 0.74 0.07 -0.43 0.27 -0.00 0.00 0.00 178.15 178.80 3hkz s ILE 487 N -4.27 4.69 -0.16 2.19 -5.25 -1.26 -2.05 121.20 115.08 3hkz s ILE 487 Ca -0.03 -1.12 -0.38 0.00 -0.99 0.00 0.00 60.65 58.13 3hkz s ILE 487 Cb 0.13 -3.77 -0.14 0.00 2.95 0.00 0.00 42.46 41.63 3hkz s ILE 487 CO 0.56 -0.45 1.74 0.41 -1.79 0.00 0.00 174.94 175.41 3hkz n THR 488 N 5.04 0.35 1.74 8.37 -1.04 -0.67 -4.69 114.28 123.39 3hkz n THR 488 Ca -0.11 -0.06 0.06 0.00 -2.04 0.00 0.00 64.05 61.90 3hkz n THR 488 Cb 0.44 -1.41 0.39 0.00 -1.82 0.00 0.00 70.33 67.93 3hkz n THR 488 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3hkz n PRO 489 N 5.40 0.87 -0.03 -2.82 -0.04 -1.26 -0.25 135.00 136.87 3hkz n PRO 489 Ca 0.24 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.68 3hkz n PRO 489 Cb 0.20 -1.23 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 3hkz n PRO 489 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3hkz n ARG 490 N -0.73 0.17 0.10 0.54 0.63 -1.26 -4.29 116.66 111.83 3hkz n ARG 490 Ca 0.10 0.28 -0.17 0.00 -0.92 0.00 0.00 57.85 57.13 3hkz n ARG 490 Cb 0.04 -1.03 -0.14 0.00 0.45 0.00 0.00 32.46 31.79 3hkz n ARG 490 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 3hkz h TYR 491 N -0.37 0.55 -1.80 -0.14 0.99 -1.93 -3.48 116.97 110.79 3hkz h TYR 491 Ca 0.00 -0.40 0.00 0.00 2.00 0.00 0.00 58.73 60.33 3hkz h TYR 491 Cb 0.24 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.94 3hkz h TYR 491 CO -0.10 1.33 0.00 0.41 -0.00 0.00 0.00 178.16 179.80 3hkz n GLY 492 N 1.58 0.82 0.00 3.88 0.00 0.66 -4.80 105.19 107.32 3hkz n GLY 492 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.42 3hkz n GLY 492 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkz n GLY 493 N -0.86 0.90 3.61 -0.02 0.00 -1.21 -4.46 105.19 103.14 3hkz n GLY 493 Ca 0.00 -0.68 -0.43 0.00 0.00 0.00 0.00 46.02 44.91 3hkz n GLY 493 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hkz s PRO 494 N -2.00 3.33 0.17 1.61 0.04 -1.26 -1.66 135.00 135.23 3hkz s PRO 494 Ca 0.00 1.73 0.16 0.00 0.04 0.00 0.00 61.00 62.93 3hkz s PRO 494 Cb 0.00 -4.25 -0.04 0.00 0.04 0.00 0.00 34.50 30.25 3hkz s PRO 494 CO 0.00 -1.86 1.13 0.97 0.04 0.00 0.00 177.00 177.28 3hkz h ILE 495 N 6.83 0.68 -2.93 0.56 2.10 -1.70 -3.40 117.51 119.65 3hkz h ILE 495 Ca -0.37 -2.10 -0.71 0.00 1.08 0.00 0.00 64.86 62.76 3hkz h ILE 495 Cb 1.20 2.22 -0.20 0.00 -1.09 0.00 0.00 36.82 38.94 3hkz h ILE 495 CO 1.00 0.39 0.09 -0.63 -1.08 0.00 0.00 178.15 177.91 3hkz s ILE 496 N -2.95 4.88 0.48 2.19 1.01 -1.21 -3.95 121.20 121.65 3hkz s ILE 496 Ca 0.00 -1.10 0.01 0.00 0.00 0.00 0.00 60.65 59.56 3hkz s ILE 496 Cb 0.08 -4.48 -0.00 0.00 0.01 0.00 0.00 42.46 38.07 3hkz s ILE 496 CO 0.78 -1.10 0.05 0.61 0.00 0.00 0.00 174.94 175.27 3hkz n GLY 497 N 5.25 3.46 3.79 6.18 0.00 -1.13 -4.88 105.19 117.86 3hkz n GLY 497 Ca -0.09 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.33 3hkz n GLY 497 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkz s ALA 498 N -2.96 2.40 0.00 4.61 0.00 0.26 -4.39 121.76 121.69 3hkz s ALA 498 Ca 0.07 0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.17 3hkz s ALA 498 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3hkz s ALA 498 CO 0.05 -1.56 0.00 0.00 0.00 0.00 0.00 175.76 174.24 3hkz n ALA 499 N -3.37 0.00 -0.45 0.00 0.00 -1.26 -3.79 120.51 111.64 3hkz n ALA 499 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3hkz n ALA 499 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3hkz n ALA 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkz n GLN 500 N 0.00 0.00 -0.32 0.00 10.64 -1.26 -4.63 117.38 121.80 3hkz n GLN 500 Ca 0.00 0.00 0.24 0.00 -1.83 0.00 0.00 57.00 55.41 3hkz n GLN 500 Cb 0.00 0.00 0.46 0.00 -0.86 0.00 0.00 30.24 29.84 3hkz n GLN 500 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 3hkz h ASP 501 N 0.00 0.17 0.47 2.61 3.45 -1.98 -0.71 116.42 120.43 3hkz h ASP 501 Ca 0.00 0.24 -0.01 0.00 0.43 0.00 0.00 57.03 57.69 3hkz h ASP 501 Cb 0.00 0.28 -0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3hkz h ASP 501 CO 0.00 -0.31 -0.36 1.88 -1.57 0.00 0.00 179.24 178.88 3hkz h TYR 502 N 0.11 -0.96 0.00 4.55 0.05 -1.94 0.42 116.97 119.20 3hkz h TYR 502 Ca 0.73 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.51 3hkz h TYR 502 Cb 1.75 0.36 0.00 0.00 1.01 0.00 0.00 36.73 39.85 3hkz h TYR 502 CO -0.14 -0.53 0.00 -0.84 -1.05 0.00 0.00 178.16 175.60 3hkz h ILE 503 N -0.82 0.00 0.23 -2.88 3.07 -1.55 0.01 117.51 115.57 3hkz h ILE 503 Ca -0.05 -0.76 -0.33 0.00 1.55 0.00 0.00 64.86 65.27 3hkz h ILE 503 Cb 0.70 1.76 0.03 0.00 -0.27 0.00 0.00 36.82 39.04 3hkz h ILE 503 CO 0.00 0.00 -1.46 -1.28 -1.05 0.00 0.00 178.15 174.36 3hkz h SER 504 N 0.00 0.77 0.64 2.16 0.87 -1.08 -3.24 113.55 113.67 3hkz h SER 504 Ca 0.00 -0.84 -0.07 0.00 -1.23 0.00 0.00 61.79 59.65 3hkz h SER 504 Cb 0.86 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.56 3hkz h SER 504 CO 0.00 1.66 -0.32 1.23 -0.53 0.00 0.00 176.83 178.87 3hkz h GLY 505 N 0.44 0.00 -0.10 5.77 0.00 -0.64 -3.34 103.07 105.19 3hkz h GLY 505 Ca -0.24 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.10 3hkz h GLY 505 CO 0.26 0.00 -0.07 0.00 0.00 0.00 0.00 176.54 176.73 3hkz h ALA 506 N 1.68 -0.19 -2.28 3.60 0.00 -1.02 -2.05 119.26 119.00 3hkz h ALA 506 Ca -0.00 0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3hkz h ALA 506 Cb 0.73 0.93 0.04 0.00 0.00 0.00 0.00 17.79 19.49 3hkz h ALA 506 CO 0.04 -0.23 0.14 1.52 0.00 0.00 0.00 179.25 180.72 3hkz s TYR 507 N -3.32 3.42 0.00 0.00 -0.00 -1.06 -0.37 117.35 116.02 3hkz s TYR 507 Ca -0.02 0.73 0.00 0.00 -0.00 0.00 0.00 57.07 57.78 3hkz s TYR 507 Cb 0.01 -2.49 0.00 0.00 -0.00 0.00 0.00 41.96 39.48 3hkz s TYR 507 CO 0.08 -0.52 0.00 1.28 -0.00 0.00 0.00 175.55 176.39 3hkz n LEU 508 N -2.40 0.00 0.05 -3.49 4.77 -1.26 -4.61 117.00 110.08 3hkz n LEU 508 Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 3hkz n LEU 508 Cb 0.56 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.52 3hkz n LEU 508 CO 0.53 0.00 -0.14 0.25 -1.33 0.00 0.00 177.39 176.70 3hkz h LEU 509 N 0.00 0.18 -0.21 2.23 5.85 -1.13 -3.40 115.31 118.83 3hkz h LEU 509 Ca 0.00 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3hkz h LEU 509 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3hkz h LEU 509 CO 0.00 1.19 -0.84 0.35 -0.34 0.00 0.00 178.44 178.80 3hkz n THR 510 N -3.36 0.00 -0.52 1.05 -2.24 0.50 -3.38 114.28 106.34 3hkz n THR 510 Ca -0.09 -0.08 -0.29 0.00 -2.27 0.00 0.00 64.05 61.32 3hkz n THR 510 Cb 1.00 1.05 0.24 0.00 -2.10 0.00 0.00 70.33 70.53 3hkz n THR 510 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3hkz s VAL 511 N -2.78 2.01 0.14 2.28 -7.23 -1.26 -4.29 120.40 109.26 3hkz s VAL 511 Ca 0.10 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 60.09 3hkz s VAL 511 Cb 0.16 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 35.05 3hkz s VAL 511 CO 0.76 -0.00 1.79 0.11 -0.31 0.00 0.00 175.10 177.45 3hkz h LYS 512 N -2.56 0.38 0.00 4.82 1.57 -1.92 -3.16 116.57 115.70 3hkz h LYS 512 Ca -0.58 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.17 3hkz h LYS 512 Cb 1.32 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3hkz h LYS 512 CO 0.48 0.25 0.35 1.15 -0.57 0.00 0.00 179.45 181.11 3hkz h THR 513 N 0.39 0.00 0.00 -0.16 2.02 -1.96 -3.38 112.91 109.82 3hkz h THR 513 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3hkz h THR 513 Cb -0.04 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.74 3hkz h THR 513 CO -0.02 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.28 3hkz n THR 514 N -2.29 0.00 -2.75 3.16 -1.04 -1.19 -4.99 114.28 105.17 3hkz n THR 514 Ca -0.01 1.05 -0.01 0.00 -2.04 0.00 0.00 64.05 63.04 3hkz n THR 514 Cb 0.38 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.89 3hkz n THR 514 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3hkz n LEU 515 N -0.70 -7.85 -4.76 -4.42 7.94 -1.26 -4.92 117.00 101.04 3hkz n LEU 515 Ca 0.00 1.33 -0.40 0.00 -1.11 0.00 0.00 56.01 55.84 3hkz n LEU 515 Cb 0.00 -3.29 -0.06 0.00 0.53 0.00 0.00 43.42 40.60 3hkz n LEU 515 CO 0.00 -3.09 0.56 -0.76 -1.11 0.00 0.00 177.39 172.98 3hkz s LEU 516 N -1.68 4.59 0.85 -1.96 1.02 0.63 -4.88 118.68 117.24 3hkz s LEU 516 Ca 0.02 1.75 -0.11 0.00 0.02 0.00 0.00 54.13 55.82 3hkz s LEU 516 Cb -0.01 -3.43 0.10 0.00 0.02 0.00 0.00 46.19 42.87 3hkz s LEU 516 CO 0.75 0.15 1.10 -0.89 0.02 0.00 0.00 176.35 177.48 3hkz s THR 517 N -0.95 2.87 0.32 5.49 2.01 -1.26 -2.01 115.64 122.11 3hkz s THR 517 Ca 0.39 0.28 0.02 0.00 0.31 0.00 0.00 61.69 62.70 3hkz s THR 517 Cb -0.24 -2.67 0.17 0.00 0.01 0.00 0.00 72.50 69.77 3hkz s THR 517 CO 0.28 -0.37 1.87 0.07 -0.69 0.00 0.00 174.62 175.79 3hkz h LYS 518 N -1.43 0.66 -0.01 4.92 2.10 -1.97 -0.19 116.57 120.64 3hkz h LYS 518 Ca -0.46 -0.13 -0.01 0.00 -2.00 0.00 0.00 60.65 58.05 3hkz h LYS 518 Cb 1.26 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 3hkz h LYS 518 CO 0.50 0.61 -0.05 0.93 -2.00 0.00 0.00 179.45 179.45 3hkz h GLU 519 N 0.64 0.05 0.35 0.07 5.08 -1.97 -3.30 114.58 115.49 3hkz h GLU 519 Ca 0.14 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hkz h GLU 519 Cb 0.27 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3hkz h GLU 519 CO 0.00 0.72 -0.37 0.93 -1.00 0.00 0.00 179.01 179.29 3hkz h GLU 520 N -0.61 -0.72 -0.28 2.33 5.08 -1.93 -2.83 114.58 115.62 3hkz h GLU 520 Ca -0.00 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3hkz h GLU 520 Cb 0.73 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 3hkz h GLU 520 CO 0.01 -0.48 -0.52 0.00 -1.00 0.00 0.00 179.01 177.02 3hkz h ALA 521 N -0.29 -0.75 -0.26 3.43 0.00 -1.15 0.18 119.26 120.42 3hkz h ALA 521 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3hkz h ALA 521 Cb 0.68 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.47 3hkz h ALA 521 CO -0.08 -1.03 0.08 1.96 0.00 0.00 0.00 179.25 180.19 3hkz h GLN 522 N -0.46 0.37 -0.93 0.00 4.20 -1.64 -1.63 115.11 115.02 3hkz h GLN 522 Ca 0.07 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.75 3hkz h GLN 522 Cb 0.63 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 28.29 3hkz h GLN 522 CO -0.52 0.33 0.61 0.37 -0.67 0.00 0.00 178.83 178.96 3hkz h GLN 523 N 0.37 1.20 -5.32 1.46 4.15 -0.42 -3.33 115.11 113.21 3hkz h GLN 523 Ca 0.09 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.32 3hkz h GLN 523 Cb 0.12 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.52 3hkz h GLN 523 CO -0.01 0.79 0.37 0.42 -1.93 0.00 0.00 178.83 178.47 3hkz s ILE 524 N -6.11 3.20 -0.36 2.39 1.01 -0.61 -4.54 121.20 116.17 3hkz s ILE 524 Ca -0.13 -0.28 0.12 0.00 0.00 0.00 0.00 60.65 60.36 3hkz s ILE 524 Cb 0.17 -3.91 0.41 0.00 0.01 0.00 0.00 42.46 39.14 3hkz s ILE 524 CO 0.81 -0.38 1.47 -0.11 0.00 0.00 0.00 174.94 176.73 3hkz n LEU 525 N 17.56 -1.54 -1.07 2.97 -0.00 -1.25 -4.90 117.00 128.78 3hkz n LEU 525 Ca 0.43 -3.30 0.00 0.00 -0.00 0.00 0.00 56.01 53.14 3hkz n LEU 525 Cb 0.46 0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.96 3hkz n LEU 525 CO 0.60 1.77 0.36 0.61 -0.00 0.00 0.00 177.39 180.73 3hkz n GLY 526 N -1.20 1.38 3.62 -3.96 0.00 -1.26 -4.85 105.19 98.92 3hkz n GLY 526 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 3hkz n GLY 526 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 527 N 0.37 4.56 0.00 1.61 1.01 -1.26 -4.88 120.40 121.81 3hkz s VAL 527 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 61.98 61.86 3hkz s VAL 527 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 36.38 33.36 3hkz s VAL 527 CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.59 3hkz n ALA 528 N 3.29 0.00 0.09 5.51 0.00 -1.26 -4.12 120.51 124.01 3hkz n ALA 528 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3hkz n ALA 528 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3hkz n ALA 528 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3hkz n ASP 529 N 0.00 0.09 -4.41 0.00 4.64 -1.26 -4.76 116.55 110.85 3hkz n ASP 529 Ca 0.00 -0.18 -0.51 0.00 -1.38 0.00 0.00 54.79 52.72 3hkz n ASP 529 Cb 0.00 -0.04 -0.09 0.00 -1.04 0.00 0.00 41.12 39.95 3hkz n ASP 529 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 3hkz n VAL 530 N 0.46 0.11 -0.15 5.18 3.14 -1.26 -4.79 118.33 121.03 3hkz n VAL 530 Ca 0.00 -0.21 0.22 0.00 -2.96 0.00 0.00 64.34 61.39 3hkz n VAL 530 Cb 0.02 -1.33 0.62 0.00 -1.06 0.00 0.00 33.84 32.09 3hkz n VAL 530 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 3hkz h LYS 531 N 11.98 0.18 0.00 1.45 1.57 -1.95 -3.45 116.57 126.34 3hkz h LYS 531 Ca -0.21 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.56 3hkz h LYS 531 Cb 1.34 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.61 3hkz h LYS 531 CO 1.08 0.12 0.00 -0.89 -0.57 0.00 0.00 179.45 179.19 3hkz n ILE 532 N -4.40 0.00 -1.34 1.86 2.08 -1.26 -4.96 119.36 111.35 3hkz n ILE 532 Ca 0.16 0.00 -0.54 0.00 0.56 0.00 0.00 62.75 62.93 3hkz n ILE 532 Cb 0.72 0.00 -0.13 0.00 -0.75 0.00 0.00 39.64 39.49 3hkz n ILE 532 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 3hkz n ASP 533 N 0.00 0.66 0.00 4.38 8.00 -1.26 -4.72 116.55 123.61 3hkz n ASP 533 Ca 0.00 0.51 0.00 0.00 0.71 0.00 0.00 54.79 56.01 3hkz n ASP 533 Cb 0.00 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.18 3hkz n ASP 533 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3hkz n LEU 534 N 8.58 0.00 -4.81 0.64 -0.00 -1.26 -4.92 117.00 115.24 3hkz n LEU 534 Ca 0.58 0.00 -0.39 0.00 -0.00 0.00 0.00 56.01 56.20 3hkz n LEU 534 Cb -0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.35 3hkz n LEU 534 CO 0.89 0.00 0.28 -0.83 -0.00 0.00 0.00 177.39 177.73 3hkz s GLY 535 N 0.00 2.68 -0.66 -3.96 0.00 -1.26 -5.06 107.32 99.06 3hkz s GLY 535 Ca 0.00 0.04 -0.13 0.00 0.00 0.00 0.00 44.72 44.63 3hkz s GLY 535 CO 0.00 0.48 0.58 -0.54 0.00 0.00 0.00 173.10 173.62 3hkz s GLU 536 N -1.09 3.14 0.00 2.90 2.02 -1.26 -5.02 118.70 119.39 3hkz s GLU 536 Ca 0.29 -2.10 -0.14 0.00 0.02 0.00 0.00 54.97 53.04 3hkz s GLU 536 Cb -0.20 -4.25 -0.07 0.00 0.10 0.00 0.00 34.13 29.71 3hkz s GLU 536 CO 0.19 -1.28 0.37 -2.30 0.02 0.00 0.00 175.26 172.26 3hkz n PRO 537 N 4.52 0.00 -0.07 0.39 -0.02 -1.26 -4.93 135.00 133.63 3hkz n PRO 537 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.35 3hkz n PRO 537 Cb 0.43 -0.52 -0.06 0.00 -0.02 0.00 0.00 33.50 33.33 3hkz n PRO 537 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hkz h ALA 538 N 1.03 0.27 -2.94 3.55 0.00 -0.92 -3.41 119.26 116.85 3hkz h ALA 538 Ca -0.18 -0.31 -0.64 0.00 0.00 0.00 0.00 54.91 53.78 3hkz h ALA 538 Cb 0.50 -0.06 -0.17 0.00 0.00 0.00 0.00 17.79 18.05 3hkz h ALA 538 CO 0.23 0.14 -0.53 0.42 0.00 0.00 0.00 179.25 179.51 3hkz s ILE 539 N -4.45 5.18 -0.60 0.00 1.09 0.97 -4.93 121.20 118.46 3hkz s ILE 539 Ca -0.14 0.13 0.09 0.00 -1.10 0.00 0.00 60.65 59.63 3hkz s ILE 539 Cb 0.06 -3.46 -0.07 0.00 -1.06 0.00 0.00 42.46 37.94 3hkz s ILE 539 CO 0.76 0.28 0.47 0.18 -0.10 0.00 0.00 174.94 176.54 3hkz n LEU 540 N 4.91 0.70 0.00 2.97 4.77 -1.26 -1.13 117.00 127.95 3hkz n LEU 540 Ca -0.14 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.25 3hkz n LEU 540 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3hkz n LEU 540 CO 0.33 0.15 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 3hkz n ALA 541 N -0.90 0.00 -1.88 -1.18 0.00 -1.26 -4.59 120.51 110.71 3hkz n ALA 541 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.05 3hkz n ALA 541 Cb 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 3hkz n ALA 541 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3hkz s PRO 542 N 0.00 4.20 0.91 0.00 0.02 -1.26 -4.77 135.00 134.10 3hkz s PRO 542 Ca 0.00 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.43 3hkz s PRO 542 Cb 0.00 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.40 3hkz s PRO 542 CO 0.00 -0.61 0.00 -2.13 -0.33 0.00 0.00 177.00 173.93 3hkz n ARG 543 N 3.61 -0.87 -4.65 5.54 0.63 -1.26 -4.83 116.66 114.83 3hkz n ARG 543 Ca 0.13 0.57 -0.33 0.00 -0.92 0.00 0.00 57.85 57.30 3hkz n ARG 543 Cb 0.38 -1.06 -0.12 0.00 0.45 0.00 0.00 32.46 32.10 3hkz n ARG 543 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3hkz s GLU 544 N -0.79 3.08 0.00 -0.14 0.41 -1.26 -4.36 118.70 115.65 3hkz s GLU 544 Ca 0.00 -0.60 -0.18 0.00 -0.41 0.00 0.00 54.97 53.79 3hkz s GLU 544 Cb 0.00 -2.64 0.03 0.00 -1.78 0.00 0.00 34.13 29.74 3hkz s GLU 544 CO 0.00 0.45 0.38 0.71 -0.49 0.00 0.00 175.26 176.32 3hkz s TYR 545 N -0.25 -0.25 -0.03 1.61 1.51 -0.29 -4.43 117.35 115.22 3hkz s TYR 545 Ca 0.03 0.32 0.06 0.00 -1.01 0.00 0.00 57.07 56.47 3hkz s TYR 545 Cb -0.13 0.17 -0.01 0.00 -0.11 0.00 0.00 41.96 41.88 3hkz s TYR 545 CO 0.03 -0.48 -0.21 0.71 -1.11 0.00 0.00 175.55 174.49 3hkz s TYR 546 N -1.78 1.91 0.56 2.71 1.51 -0.85 -0.02 117.35 121.38 3hkz s TYR 546 Ca -0.10 -0.43 -0.15 0.00 -1.01 0.00 0.00 57.07 55.38 3hkz s TYR 546 Cb -0.03 -1.24 -0.06 0.00 -0.11 0.00 0.00 41.96 40.52 3hkz s TYR 546 CO 0.02 -0.08 1.01 0.95 -1.11 0.00 0.00 175.55 176.34 3hkz s THR 547 N -0.34 4.40 0.26 -0.71 -4.23 -1.26 0.23 115.64 113.98 3hkz s THR 547 Ca 0.04 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.61 3hkz s THR 547 Cb -0.09 -3.67 0.05 0.00 1.34 0.00 0.00 72.50 70.13 3hkz s THR 547 CO 0.00 -0.75 1.69 1.23 -0.54 0.00 0.00 174.62 176.25 3hkz h GLY 548 N 0.51 0.62 0.92 3.99 0.00 -1.84 -0.87 103.07 106.40 3hkz h GLY 548 Ca -0.46 -0.52 0.15 0.00 0.00 0.00 0.00 47.33 46.50 3hkz h GLY 548 CO 0.61 0.47 0.40 0.50 0.00 0.00 0.00 176.54 178.52 3hkz h LYS 549 N 0.50 0.00 0.17 4.80 1.57 -1.74 -1.70 116.57 120.17 3hkz h LYS 549 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3hkz h LYS 549 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 3hkz h LYS 549 CO 0.05 0.00 -0.08 0.37 -0.57 0.00 0.00 179.45 179.22 3hkz h GLN 550 N 0.00 -0.22 -1.07 3.15 4.15 -1.45 -3.27 115.11 116.39 3hkz h GLN 550 Ca 0.24 0.02 0.29 0.00 0.77 0.00 0.00 58.65 59.97 3hkz h GLN 550 Cb 1.03 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.67 3hkz h GLN 550 CO -0.00 -0.15 0.68 -0.24 -1.93 0.00 0.00 178.83 177.19 3hkz h VAL 551 N -0.28 0.45 0.00 2.39 3.04 -0.95 0.20 116.25 121.10 3hkz h VAL 551 Ca -0.02 -0.13 -0.10 0.00 -1.01 0.00 0.00 66.70 65.44 3hkz h VAL 551 Cb 0.18 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 29.50 3hkz h VAL 551 CO 0.04 0.07 -0.51 0.16 -1.01 0.00 0.00 177.57 176.31 3hkz h ILE 552 N 0.37 0.78 -0.33 3.17 -0.00 -1.69 -3.10 117.51 116.71 3hkz h ILE 552 Ca 0.64 -2.11 0.09 0.00 -0.00 0.00 0.00 64.86 63.48 3hkz h ILE 552 Cb 1.64 2.37 -0.01 0.00 -0.00 0.00 0.00 36.82 40.82 3hkz h ILE 552 CO -0.35 0.44 0.33 -1.28 -0.00 0.00 0.00 178.15 177.29 3hkz h SER 553 N 0.00 0.00 0.31 2.16 0.87 -0.64 0.71 113.55 116.96 3hkz h SER 553 Ca -0.01 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3hkz h SER 553 Cb 1.36 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.32 3hkz h SER 553 CO 0.06 0.00 -0.16 0.00 -0.53 0.00 0.00 176.83 176.20 3hkz h ALA 554 N 1.65 1.41 0.00 6.23 0.00 -1.60 -2.65 119.26 124.30 3hkz h ALA 554 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hkz h ALA 554 Cb 0.81 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hkz h ALA 554 CO -0.00 0.20 -0.28 0.74 0.00 0.00 0.00 179.25 179.91 3hkz h PHE 555 N 0.00 0.00 -3.19 0.00 0.04 -1.03 -3.47 116.94 109.30 3hkz h PHE 555 Ca -0.00 0.00 -0.59 0.00 2.80 0.00 0.00 57.97 60.18 3hkz h PHE 555 Cb 0.36 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.46 3hkz h PHE 555 CO 0.00 0.00 -0.11 -0.51 -0.60 0.00 0.00 178.31 177.09 3hkz s LEU 556 N -4.87 4.45 0.18 1.54 1.43 -1.00 -4.98 118.68 115.42 3hkz s LEU 556 Ca 0.07 1.06 -0.32 0.00 -1.03 0.00 0.00 54.13 53.92 3hkz s LEU 556 Cb 0.11 -2.75 -0.11 0.00 0.03 0.00 0.00 46.19 43.46 3hkz s LEU 556 CO 0.67 0.22 1.77 -2.84 0.23 0.00 0.00 176.35 176.39 3hkz s PRO 557 N -0.64 4.13 0.00 1.29 0.02 -1.26 -4.65 135.00 133.88 3hkz s PRO 557 Ca 0.27 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.90 3hkz s PRO 557 Cb -0.17 -3.27 0.00 0.00 0.02 0.00 0.00 34.50 31.07 3hkz s PRO 557 CO 0.15 -0.79 0.79 0.36 -0.33 0.00 0.00 177.00 177.18 3hkz n LYS 558 N 4.64 0.98 0.00 5.54 0.00 -1.26 -1.36 118.16 126.70 3hkz n LYS 558 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 3hkz n LYS 558 Cb 0.36 -1.20 0.00 0.00 -0.00 0.00 0.00 35.03 34.20 3hkz n LYS 558 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 3hkz n ASP 559 N 0.32 0.59 -4.75 -5.58 5.75 -1.25 -4.46 116.55 107.15 3hkz n ASP 559 Ca 0.00 -1.12 -0.38 0.00 -0.01 0.00 0.00 54.79 53.27 3hkz n ASP 559 Cb 0.39 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.43 3hkz n ASP 559 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 3hkz s PHE 560 N -0.12 3.62 -0.01 2.11 5.36 -0.46 -4.57 117.98 123.90 3hkz s PHE 560 Ca 0.00 1.05 0.04 0.00 -0.96 0.00 0.00 56.93 57.06 3hkz s PHE 560 Cb 0.00 -2.55 -0.01 0.00 -0.34 0.00 0.00 43.02 40.12 3hkz s PHE 560 CO 0.00 0.31 -0.14 -0.80 -1.46 0.00 0.00 175.22 173.12 3hkz s ASN 561 N 0.06 1.69 -0.12 6.13 -0.87 -1.26 -0.97 114.94 119.60 3hkz s ASN 561 Ca 0.28 -0.26 -0.07 0.00 -1.57 0.00 0.00 52.86 51.24 3hkz s ASN 561 Cb -0.17 -0.19 0.05 0.00 -0.02 0.00 0.00 41.25 40.92 3hkz s ASN 561 CO 0.14 0.18 0.29 0.12 -2.57 0.00 0.00 177.10 175.26 3hkz s PHE 562 N -0.34 -0.39 -0.17 2.20 5.36 0.33 -4.69 117.98 120.28 3hkz s PHE 562 Ca 0.06 0.91 -0.03 0.00 -0.96 0.00 0.00 56.93 56.90 3hkz s PHE 562 Cb -0.06 0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 3hkz s PHE 562 CO -0.01 -0.25 -0.06 -1.01 -1.46 0.00 0.00 175.22 172.44 3hkz s HIS 563 N 1.14 2.96 -0.09 10.12 3.76 -1.26 -1.06 115.29 130.85 3hkz s HIS 563 Ca -0.08 -0.54 -0.33 0.00 -0.15 0.00 0.00 55.06 53.96 3hkz s HIS 563 Cb -0.09 -1.98 0.14 0.00 1.11 0.00 0.00 32.58 31.76 3hkz s HIS 563 CO -0.08 -0.22 1.39 0.20 -0.85 0.00 0.00 174.74 175.18 3hkz s GLY 564 N 0.69 -0.45 -0.12 -2.22 0.00 -0.96 -5.03 107.32 99.24 3hkz s GLY 564 Ca -0.03 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 3hkz s GLY 564 CO 0.02 0.21 -0.09 1.62 0.00 0.00 0.00 173.10 174.86 3hkz s GLN 565 N -2.14 3.33 0.62 2.90 0.74 -1.26 0.22 119.66 124.08 3hkz s GLN 565 Ca 0.14 -0.62 -0.11 0.00 0.05 0.00 0.00 55.36 54.83 3hkz s GLN 565 Cb 0.06 -2.70 0.15 0.00 1.10 0.00 0.00 33.01 31.62 3hkz s GLN 565 CO -0.06 0.31 0.71 0.00 -0.55 0.00 0.00 175.29 175.70 3hkz n ALA 566 N 3.27 -1.35 0.14 1.58 0.00 -1.26 -4.90 120.51 117.99 3hkz n ALA 566 Ca -0.18 -0.97 0.01 0.00 0.00 0.00 0.00 53.44 52.31 3hkz n ALA 566 Cb 0.53 -0.06 0.10 0.00 0.00 0.00 0.00 19.45 20.02 3hkz n ALA 566 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.50 176.53 3hkz h ASN 567 N -1.43 0.00 0.23 0.00 -1.24 -1.86 -3.29 115.58 107.98 3hkz h ASN 567 Ca -0.24 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.72 3hkz h ASN 567 Cb 0.70 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 3hkz h ASN 567 CO 0.17 0.58 -0.24 0.58 -1.29 0.00 0.00 177.43 177.23 3hkz h VAL 568 N 0.00 1.17 -0.57 2.57 2.07 -1.85 -3.40 116.25 116.24 3hkz h VAL 568 Ca -0.01 -0.82 -0.30 0.00 0.82 0.00 0.00 66.70 66.39 3hkz h VAL 568 Cb 1.30 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 3hkz h VAL 568 CO 0.07 0.23 0.89 -0.55 0.02 0.00 0.00 177.57 178.24 3hkz s SER 569 N -6.98 5.03 -0.30 0.57 0.15 -1.24 -4.73 113.70 106.20 3hkz s SER 569 Ca -0.04 -1.21 -0.13 0.00 0.70 0.00 0.00 55.95 55.27 3hkz s SER 569 Cb 0.15 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 62.03 3hkz s SER 569 CO 0.71 -2.98 0.85 -0.94 1.20 0.00 0.00 173.24 172.07 3hkz s SER 570 N 7.25 -0.80 0.46 5.45 1.04 -1.26 -4.63 113.70 121.20 3hkz s SER 570 Ca 0.70 1.12 0.00 0.00 0.48 0.00 0.00 55.95 58.25 3hkz s SER 570 Cb -0.04 1.85 0.00 0.00 0.10 0.00 0.00 66.02 67.94 3hkz s SER 570 CO 0.07 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3hkz n GLY 571 N 5.03 1.31 0.18 7.32 0.00 -1.26 -3.73 105.19 114.03 3hkz n GLY 571 Ca -0.11 -0.89 0.14 0.00 0.00 0.00 0.00 46.02 45.15 3hkz n GLY 571 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hkz h PRO 572 N 0.00 0.00 -0.03 1.61 0.13 -1.99 -3.24 132.00 128.48 3hkz h PRO 572 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hkz h PRO 572 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hkz h PRO 572 CO 0.00 0.00 -0.07 0.54 -0.23 0.00 0.00 178.00 178.24 3hkz n ARG 573 N -2.54 2.16 -1.51 0.86 3.00 -1.24 -5.00 116.66 112.39 3hkz n ARG 573 Ca 0.02 -1.78 -0.58 0.00 -0.01 0.00 0.00 57.85 55.50 3hkz n ARG 573 Cb 0.27 -1.46 -0.08 0.00 0.00 0.00 0.00 32.46 31.19 3hkz n ARG 573 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 3hkz n LEU 574 N 1.13 0.11 0.00 0.55 0.00 -1.23 -4.42 117.00 113.14 3hkz n LEU 574 Ca 0.13 1.16 0.00 0.00 0.00 0.00 0.00 56.01 57.30 3hkz n LEU 574 Cb 0.58 -0.94 0.00 0.00 0.00 0.00 0.00 43.42 43.05 3hkz n LEU 574 CO 0.17 -1.86 -0.45 0.00 0.00 0.00 0.00 177.39 175.25 3hkz n LYS 576 N -2.74 0.00 -4.02 0.00 5.02 -1.26 -4.75 118.16 110.41 3hkz n LYS 576 Ca 0.00 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 56.00 3hkz n LYS 576 Cb 0.45 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.41 3hkz n LYS 576 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hkz s ASN 577 N 0.00 5.81 0.58 4.39 0.01 -1.26 -4.99 114.94 119.49 3hkz s ASN 577 Ca 0.00 0.04 0.34 0.00 -0.71 0.00 0.00 52.86 52.53 3hkz s ASN 577 Cb 0.00 -1.63 1.86 0.00 0.41 0.00 0.00 41.25 41.88 3hkz s ASN 577 CO 0.00 0.13 2.04 1.05 -1.51 0.00 0.00 177.10 178.80 3hkz h GLU 578 N 2.83 0.00 -6.47 -0.60 9.09 -1.93 -3.36 114.58 114.15 3hkz h GLU 578 Ca -0.47 0.00 -0.57 0.00 0.05 0.00 0.00 59.36 58.37 3hkz h GLU 578 Cb 1.18 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.22 3hkz h GLU 578 CO 0.68 0.00 0.98 0.34 0.05 0.00 0.00 179.01 181.06 3hkz s ASP 579 N -4.61 6.58 -0.25 3.06 2.15 -1.26 -4.99 116.67 117.35 3hkz s ASP 579 Ca -0.04 0.94 -0.03 0.00 0.43 0.00 0.00 52.55 53.85 3hkz s ASP 579 Cb 0.10 -2.54 0.14 0.00 -0.30 0.00 0.00 42.92 40.31 3hkz s ASP 579 CO 0.31 -1.21 0.38 0.00 -0.17 0.00 0.00 175.17 174.49 3hkz n PRO 581 N 5.37 -0.10 -3.91 0.00 -0.02 -1.26 -4.54 135.00 130.54 3hkz n PRO 581 Ca -0.03 1.02 -0.31 0.00 -2.02 0.00 0.00 63.50 62.16 3hkz n PRO 581 Cb 0.50 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 3hkz n PRO 581 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3hkz s HIS 582 N -5.75 3.52 -1.09 6.00 3.76 -1.26 -4.99 115.29 115.47 3hkz s HIS 582 Ca -0.10 0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.08 3hkz s HIS 582 Cb 0.16 -1.77 0.00 0.00 1.11 0.00 0.00 32.58 32.08 3hkz s HIS 582 CO 0.50 0.58 0.40 -3.47 -0.85 0.00 0.00 174.74 171.90 3hkz n ASP 583 N 0.28 0.67 -2.80 1.40 -0.08 -1.26 -4.75 116.55 110.01 3hkz n ASP 583 Ca -0.05 -1.47 -0.07 0.00 -1.51 0.00 0.00 54.79 51.69 3hkz n ASP 583 Cb 0.51 -0.33 0.06 0.00 2.34 0.00 0.00 41.12 43.69 3hkz n ASP 583 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3hkz n SER 584 N 0.08 -1.49 -2.27 1.67 2.88 -1.26 -1.73 113.62 111.50 3hkz n SER 584 Ca 0.00 -0.56 -0.00 0.00 -1.33 0.00 0.00 58.87 56.98 3hkz n SER 584 Cb 0.17 -0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 63.40 3hkz n SER 584 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkz n TYR 585 N -3.15 -1.55 -3.13 0.66 9.36 -1.26 -4.22 117.16 113.87 3hkz n TYR 585 Ca 0.03 0.92 -0.39 0.00 3.32 0.00 0.00 57.90 61.78 3hkz n TYR 585 Cb 0.13 -1.92 -0.05 0.00 -0.63 0.00 0.00 39.34 36.87 3hkz n TYR 585 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3hkz s VAL 586 N -0.20 4.96 -0.16 2.97 1.01 0.58 -3.70 120.40 125.87 3hkz s VAL 586 Ca -0.02 1.33 0.01 0.00 0.00 0.00 0.00 61.98 63.30 3hkz s VAL 586 Cb 0.00 -3.98 0.02 0.00 0.00 0.00 0.00 36.38 32.42 3hkz s VAL 586 CO 0.05 0.34 -0.17 -0.69 0.00 0.00 0.00 175.10 174.63 3hkz s VAL 587 N 0.25 1.77 -0.23 2.92 1.01 0.12 -2.25 120.40 123.98 3hkz s VAL 587 Ca 0.34 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.54 3hkz s VAL 587 Cb -0.18 -1.63 0.07 0.00 0.00 0.00 0.00 36.38 34.64 3hkz s VAL 587 CO 0.17 0.49 0.01 -0.63 0.00 0.00 0.00 175.10 175.15 3hkz s ILE 588 N 1.33 1.06 -0.16 2.22 1.01 -0.23 -1.00 121.20 125.43 3hkz s ILE 588 Ca 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 60.65 59.66 3hkz s ILE 588 Cb -0.13 -1.51 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3hkz s ILE 588 CO -0.10 -0.25 -0.17 -0.54 0.00 0.00 0.00 174.94 173.88 3hkz s LYS 589 N 1.60 3.14 -1.46 2.79 1.02 -0.62 -0.51 119.74 125.69 3hkz s LYS 589 Ca -0.01 -0.78 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 3hkz s LYS 589 Cb -0.18 -2.59 0.05 0.00 -0.52 0.00 0.00 37.83 34.59 3hkz s LYS 589 CO -0.10 -0.04 0.77 0.09 -0.92 0.00 0.00 175.35 175.14 3hkz n ASN 590 N 4.20 -2.64 -3.57 2.83 3.02 -0.33 -0.35 115.26 118.43 3hkz n ASN 590 Ca -0.20 -0.86 -0.21 0.00 -0.03 0.00 0.00 54.58 53.28 3hkz n ASN 590 Cb 0.51 -3.65 0.07 0.00 -0.61 0.00 0.00 39.78 36.11 3hkz n ASN 590 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 591 N -1.68 -0.44 3.12 7.41 0.00 -0.15 -3.93 105.19 109.53 3hkz n GLY 591 Ca -0.13 0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3hkz n GLY 591 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 592 N -3.37 1.62 -1.21 -0.61 -1.09 0.53 -4.63 121.20 112.43 3hkz s ILE 592 Ca 0.28 -0.75 -0.10 0.00 -2.23 0.00 0.00 60.65 57.85 3hkz s ILE 592 Cb -0.13 -1.43 0.21 0.00 -1.58 0.00 0.00 42.46 39.53 3hkz s ILE 592 CO 0.75 0.46 1.59 -0.11 -1.23 0.00 0.00 174.94 176.40 3hkz n LEU 593 N 3.73 6.06 -4.56 2.97 0.00 -1.26 -1.59 117.00 122.35 3hkz n LEU 593 Ca -0.21 -4.73 -0.42 0.00 0.00 0.00 0.00 56.01 50.65 3hkz n LEU 593 Cb 0.52 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 42.43 3hkz n LEU 593 CO 0.26 1.24 1.09 -0.76 0.00 0.00 0.00 177.39 179.22 3hkz s LEU 594 N -0.22 3.41 0.46 -1.96 1.43 -0.17 -4.71 118.68 116.91 3hkz s LEU 594 Ca 0.38 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 3hkz s LEU 594 Cb 0.03 -2.89 0.00 0.00 0.03 0.00 0.00 46.19 43.36 3hkz s LEU 594 CO 0.01 -1.60 0.00 -1.84 0.23 0.00 0.00 176.35 173.15 3hkz n GLU 595 N 8.73 -3.63 0.00 1.70 0.28 -1.26 -3.11 120.64 123.34 3hkz n GLU 595 Ca 0.06 2.75 0.00 0.00 -0.16 0.00 0.00 57.16 59.81 3hkz n GLU 595 Cb 0.49 -3.35 0.00 0.00 1.43 0.00 0.00 31.44 30.00 3hkz n GLU 595 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3hkz n GLY 596 N -1.62 3.90 3.39 -1.84 0.00 -1.24 0.11 105.19 107.89 3hkz n GLY 596 Ca 0.00 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 3hkz n GLY 596 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 597 N -1.85 3.26 0.31 1.61 1.01 -0.70 -4.71 120.40 119.33 3hkz s VAL 597 Ca 0.00 -0.58 -0.27 0.00 0.00 0.00 0.00 61.98 61.12 3hkz s VAL 597 Cb 0.00 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 3hkz s VAL 597 CO 0.00 0.51 1.01 -0.36 0.00 0.00 0.00 175.10 176.27 3hkz s PHE 598 N 0.44 3.62 0.00 5.22 2.99 -1.26 -4.74 117.98 124.24 3hkz s PHE 598 Ca -0.08 1.76 0.00 0.00 0.00 0.00 0.00 56.93 58.60 3hkz s PHE 598 Cb -0.15 -3.09 0.00 0.00 0.00 0.00 0.00 43.02 39.77 3hkz s PHE 598 CO 0.04 -0.16 0.00 -0.40 -0.00 0.00 0.00 175.22 174.70 3hkz n ASP 599 N 0.80 0.00 -0.12 1.36 5.75 -1.26 -2.55 116.55 120.53 3hkz n ASP 599 Ca 0.01 -0.36 -0.07 0.00 -0.01 0.00 0.00 54.79 54.36 3hkz n ASP 599 Cb 0.48 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.56 3hkz n ASP 599 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3hkz h LYS 600 N 0.00 -0.22 0.00 0.11 3.64 -1.82 0.44 116.57 118.72 3hkz h LYS 600 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hkz h LYS 600 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3hkz h LYS 600 CO 0.00 -0.15 0.09 1.63 -2.27 0.00 0.00 179.45 178.76 3hkz n LYS 601 N -5.41 0.10 -0.07 1.90 4.76 -1.26 -1.08 118.16 117.09 3hkz n LYS 601 Ca 0.01 0.57 -0.08 0.00 -2.87 0.00 0.00 58.31 55.94 3hkz n LYS 601 Cb 0.33 -1.91 -0.08 0.00 -1.84 0.00 0.00 35.03 31.54 3hkz n LYS 601 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hkz n ALA 602 N -1.65 1.70 -1.84 7.82 0.00 0.44 -3.84 120.51 123.14 3hkz n ALA 602 Ca -0.01 -0.67 0.02 0.00 0.00 0.00 0.00 53.44 52.78 3hkz n ALA 602 Cb 0.12 0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.70 3hkz n ALA 602 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 3hkz n ILE 603 N -2.75 0.30 -1.09 0.00 -5.35 0.12 -1.20 119.36 109.40 3hkz n ILE 603 Ca -0.23 -0.36 -0.13 0.00 -0.27 0.00 0.00 62.75 61.75 3hkz n ILE 603 Cb 0.81 0.39 0.10 0.00 -1.74 0.00 0.00 39.64 39.20 3hkz n ILE 603 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hkz n GLY 604 N -0.23 -1.92 0.03 3.28 0.00 -0.24 -0.57 105.19 105.53 3hkz n GLY 604 Ca 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3hkz n GLY 604 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hkz n ASN 605 N -3.60 0.05 -4.46 1.61 3.02 -1.25 -3.57 115.26 107.07 3hkz n ASN 605 Ca 0.07 -1.66 -0.47 0.00 -0.03 0.00 0.00 54.58 52.49 3hkz n ASN 605 Cb 0.26 -0.02 -0.08 0.00 -0.61 0.00 0.00 39.78 39.32 3hkz n ASN 605 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3hkz n GLN 606 N -0.47 0.80 0.00 3.52 -0.06 -1.26 -4.71 117.38 115.20 3hkz n GLN 606 Ca 0.00 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.16 3hkz n GLN 606 Cb 0.01 -2.40 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 3hkz n GLN 606 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3hkz n GLN 607 N 8.36 0.00 0.00 3.69 6.02 -1.26 -4.49 117.38 129.69 3hkz n GLN 607 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 3hkz n GLN 607 Cb 0.23 -0.14 0.00 0.00 1.02 0.00 0.00 30.24 31.35 3hkz n GLN 607 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3hkz n PRO 608 N 0.00 0.00 -2.77 -1.09 -0.02 -1.26 -2.82 135.00 127.04 3hkz n PRO 608 Ca 0.00 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.47 3hkz n PRO 608 Cb 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.56 3hkz n PRO 608 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hkz n GLU 609 N 0.00 1.57 -1.23 -0.52 1.02 -1.26 -4.85 120.64 115.37 3hkz n GLU 609 Ca 0.00 -2.71 -0.36 0.00 -0.02 0.00 0.00 57.16 54.06 3hkz n GLU 609 Cb 0.00 -0.89 0.06 0.00 -0.02 0.00 0.00 31.44 30.59 3hkz n GLU 609 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3hkz n SER 610 N -0.88 -1.90 -0.03 1.62 2.88 -1.13 -4.64 113.62 109.53 3hkz n SER 610 Ca -0.01 0.56 -0.09 0.00 -1.33 0.00 0.00 58.87 58.00 3hkz n SER 610 Cb 0.83 -1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 63.13 3hkz n SER 610 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 3hkz h ILE 611 N -0.39 0.36 -0.94 2.46 2.04 -1.66 -0.96 117.51 118.41 3hkz h ILE 611 Ca -0.45 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.62 3hkz h ILE 611 Cb 1.36 0.36 -0.12 0.00 -0.74 0.00 0.00 36.82 37.68 3hkz h ILE 611 CO 0.41 0.00 0.51 0.25 0.00 0.00 0.00 178.15 179.32 3hkz h LEU 612 N -0.29 0.57 0.19 1.44 6.46 -1.49 -1.94 115.31 120.25 3hkz h LEU 612 Ca 0.12 0.13 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 3hkz h LEU 612 Cb 0.49 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.45 3hkz h LEU 612 CO -0.37 0.13 -0.20 -0.74 -0.62 0.00 0.00 178.44 176.63 3hkz h HIS 613 N 0.57 -0.56 0.00 1.25 2.76 -1.50 -2.87 115.15 114.81 3hkz h HIS 613 Ca 0.57 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.75 3hkz h HIS 613 Cb 1.00 0.22 0.00 0.00 1.55 0.00 0.00 27.41 30.18 3hkz h HIS 613 CO -0.06 -0.27 0.00 -1.49 -1.30 0.00 0.00 177.93 174.81 3hkz h TRP 614 N -0.40 0.00 0.00 5.26 -0.00 -0.45 0.23 115.95 120.59 3hkz h TRP 614 Ca -0.02 0.00 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 3hkz h TRP 614 Cb 0.35 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.50 3hkz h TRP 614 CO -0.15 0.00 -0.13 -0.07 -0.00 0.00 0.00 178.44 178.09 3hkz h LEU 615 N 0.00 0.00 -0.80 -4.49 3.38 -1.48 -3.13 115.31 108.79 3hkz h LEU 615 Ca 0.00 -0.90 -0.12 0.00 0.09 0.00 0.00 57.88 56.95 3hkz h LEU 615 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3hkz h LEU 615 CO 0.00 1.02 -0.41 0.40 0.09 0.00 0.00 178.44 179.54 3hkz h ILE 616 N -1.00 1.31 0.00 1.22 2.04 -0.71 -2.07 117.51 118.29 3hkz h ILE 616 Ca -0.04 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.26 3hkz h ILE 616 Cb 0.98 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3hkz h ILE 616 CO -0.02 0.48 0.00 1.17 0.00 0.00 0.00 178.15 179.78 3hkz n LYS 617 N -4.02 0.00 -1.84 2.37 4.81 0.58 -3.57 118.16 116.48 3hkz n LYS 617 Ca -0.02 0.42 -0.35 0.00 -0.87 0.00 0.00 58.31 57.50 3hkz n LYS 617 Cb 0.50 -1.26 -0.02 0.00 0.02 0.00 0.00 35.03 34.28 3hkz n LYS 617 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3hkz n GLU 618 N -1.75 3.45 -2.90 1.64 1.02 -1.18 -4.83 120.64 116.09 3hkz n GLU 618 Ca 0.00 -3.14 -0.08 0.00 -0.02 0.00 0.00 57.16 53.92 3hkz n GLU 618 Cb 0.00 -2.34 -0.01 0.00 -0.02 0.00 0.00 31.44 29.07 3hkz n GLU 618 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 3hkz n TYR 619 N 0.76 -1.34 -2.82 -0.32 4.02 -0.78 -4.91 117.16 111.76 3hkz n TYR 619 Ca 0.53 -1.32 -0.34 0.00 -0.01 0.00 0.00 57.90 56.76 3hkz n TYR 619 Cb 0.38 0.42 -0.07 0.00 -0.02 0.00 0.00 39.34 40.05 3hkz n TYR 619 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 3hkz s SER 620 N -2.30 7.02 0.00 7.72 1.04 -1.26 -4.84 113.70 121.08 3hkz s SER 620 Ca 0.15 1.71 0.00 0.00 0.48 0.00 0.00 55.95 58.29 3hkz s SER 620 Cb -0.01 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.56 3hkz s SER 620 CO 0.11 -0.29 0.10 0.47 0.98 0.00 0.00 173.24 174.60 3hkz n ASP 621 N -0.38 0.00 -0.03 7.02 8.00 -1.26 -0.57 116.55 129.33 3hkz n ASP 621 Ca 0.06 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.52 3hkz n ASP 621 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.60 3hkz n ASP 621 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hkz n GLU 622 N -0.57 1.14 0.01 -1.24 -0.58 -1.26 -4.45 120.64 113.69 3hkz n GLU 622 Ca 0.00 0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.58 3hkz n GLU 622 Cb 0.00 -1.14 -0.10 0.00 -0.57 0.00 0.00 31.44 29.64 3hkz n GLU 622 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 3hkz h TYR 623 N 0.00 0.92 0.05 -0.32 3.20 -1.24 -1.39 116.97 118.20 3hkz h TYR 623 Ca -0.15 -0.47 0.01 0.00 3.14 0.00 0.00 58.73 61.25 3hkz h TYR 623 Cb 1.27 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 39.40 3hkz h TYR 623 CO 0.01 1.30 -0.23 0.78 -1.64 0.00 0.00 178.16 178.37 3hkz h GLY 624 N 0.29 -1.20 -0.37 1.82 0.00 -1.12 -0.11 103.07 102.37 3hkz h GLY 624 Ca -0.09 0.58 0.12 0.00 0.00 0.00 0.00 47.33 47.94 3hkz h GLY 624 CO 0.17 -0.38 -0.26 1.70 0.00 0.00 0.00 176.54 177.76 3hkz h LYS 625 N -0.33 -0.10 0.00 4.80 3.64 -1.77 0.21 116.57 123.02 3hkz h LYS 625 Ca -0.00 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hkz h LYS 625 Cb 0.33 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3hkz h LYS 625 CO -0.13 -0.07 0.00 1.87 -2.27 0.00 0.00 179.45 178.86 3hkz n TRP 626 N -5.44 0.00 -0.25 1.91 -0.00 -0.53 -1.60 117.44 111.53 3hkz n TRP 626 Ca 0.06 0.00 -0.00 0.00 -0.00 0.00 0.00 57.50 57.55 3hkz n TRP 626 Cb 0.35 -0.39 0.03 0.00 -0.00 0.00 0.00 31.31 31.30 3hkz n TRP 626 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 3hkz n LEU 627 N -2.04 -0.42 0.01 5.87 7.94 -0.07 -0.27 117.00 128.03 3hkz n LEU 627 Ca 0.00 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 3hkz n LEU 627 Cb 0.00 -0.27 -0.04 0.00 0.53 0.00 0.00 43.42 43.64 3hkz n LEU 627 CO 0.00 -1.04 0.80 0.24 -1.11 0.00 0.00 177.39 176.28 3hkz h MET 628 N 0.00 -0.12 0.00 1.96 2.86 -0.34 1.15 114.93 120.44 3hkz h MET 628 Ca 0.24 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.88 3hkz h MET 628 Cb 0.40 0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3hkz h MET 628 CO -0.66 -0.08 0.00 -0.25 1.06 0.00 0.00 176.91 176.98 3hkz n ASP 629 N -5.24 0.74 -0.03 1.22 8.00 -0.12 -4.30 116.55 116.82 3hkz n ASP 629 Ca -0.04 0.59 -0.04 0.00 0.71 0.00 0.00 54.79 56.01 3hkz n ASP 629 Cb 0.16 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.45 3hkz n ASP 629 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3hkz n ASN 630 N -2.22 3.51 0.35 -2.24 3.02 0.63 -4.41 115.26 113.91 3hkz n ASN 630 Ca 0.05 -0.03 -0.14 0.00 -0.03 0.00 0.00 54.58 54.42 3hkz n ASN 630 Cb 0.38 -0.07 -0.07 0.00 -0.61 0.00 0.00 39.78 39.42 3hkz n ASN 630 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3hkz h LEU 631 N 0.00 -0.78 -1.91 3.41 5.85 0.11 -3.28 115.31 118.71 3hkz h LEU 631 Ca -0.14 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3hkz h LEU 631 Cb 1.23 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.45 3hkz h LEU 631 CO -0.02 -0.43 0.08 -0.26 -0.34 0.00 0.00 178.44 177.47 3hkz h PHE 632 N -1.17 0.12 0.00 1.25 0.04 -1.75 -0.27 116.94 115.16 3hkz h PHE 632 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 3hkz h PHE 632 Cb 0.71 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.82 3hkz h PHE 632 CO 0.01 0.07 0.00 -2.13 -0.60 0.00 0.00 178.31 175.67 3hkz n ARG 633 N -4.52 0.03 0.03 1.51 0.63 -1.24 -1.47 116.66 111.63 3hkz n ARG 633 Ca -0.01 0.47 -0.03 0.00 -0.92 0.00 0.00 57.85 57.36 3hkz n ARG 633 Cb 0.11 -1.58 -0.01 0.00 0.45 0.00 0.00 32.46 31.43 3hkz n ARG 633 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3hkz h VAL 634 N 0.00 0.00 -0.96 5.15 2.07 -1.15 -3.36 116.25 117.99 3hkz h VAL 634 Ca 0.00 -0.86 0.27 0.00 0.82 0.00 0.00 66.70 66.93 3hkz h VAL 634 Cb 0.06 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.65 3hkz h VAL 634 CO 0.00 0.00 0.03 0.49 0.02 0.00 0.00 177.57 178.11 3hkz n PHE 635 N -4.88 0.62 0.08 1.57 3.01 -0.54 -0.82 117.46 116.49 3hkz n PHE 635 Ca -0.02 1.16 -0.11 0.00 1.01 0.00 0.00 57.45 59.48 3hkz n PHE 635 Cb 0.07 -1.23 -0.07 0.00 -0.01 0.00 0.00 39.48 38.25 3hkz n PHE 635 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 3hkz h ILE 636 N 0.00 0.00 0.00 4.37 2.04 -1.72 0.10 117.51 122.30 3hkz h ILE 636 Ca 0.59 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.45 3hkz h ILE 636 Cb 1.21 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 3hkz h ILE 636 CO -0.90 0.00 0.00 -0.09 0.00 0.00 0.00 178.15 177.16 3hkz h ARG 637 N -0.52 0.00 -0.05 2.37 9.65 -1.13 0.17 114.38 124.86 3hkz h ARG 637 Ca -0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 58.79 3hkz h ARG 637 Cb 0.53 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 3hkz h ARG 637 CO -0.20 0.00 -0.29 0.35 2.80 0.00 0.00 179.97 182.63 3hkz h PHE 638 N 0.00 0.40 -0.65 2.20 3.57 -0.24 -3.10 116.94 119.12 3hkz h PHE 638 Ca 0.00 -0.18 0.06 0.00 3.53 0.00 0.00 57.97 61.38 3hkz h PHE 638 Cb 0.21 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.85 3hkz h PHE 638 CO 0.00 0.92 0.43 0.28 -2.23 0.00 0.00 178.31 177.71 3hkz h VAL 639 N -0.23 1.03 0.00 1.41 2.07 0.14 -0.41 116.25 120.25 3hkz h VAL 639 Ca -0.02 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.27 3hkz h VAL 639 Cb 0.95 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3hkz h VAL 639 CO 0.06 0.12 0.00 -0.62 0.02 0.00 0.00 177.57 177.15 3hkz n GLU 640 N -4.47 0.04 -0.19 1.57 1.02 -0.05 -0.82 120.64 117.74 3hkz n GLU 640 Ca 0.09 0.08 0.01 0.00 -0.02 0.00 0.00 57.16 57.32 3hkz n GLU 640 Cb 0.21 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.15 3hkz n GLU 640 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 3hkz n LEU 641 N -1.08 0.53 -0.06 -4.62 -0.00 -0.20 -4.73 117.00 106.84 3hkz n LEU 641 Ca 0.01 -0.98 0.01 0.00 -0.00 0.00 0.00 56.01 55.06 3hkz n LEU 641 Cb 0.01 -0.05 0.02 0.00 -0.00 0.00 0.00 43.42 43.40 3hkz n LEU 641 CO 0.01 0.24 0.41 0.00 -0.00 0.00 0.00 177.39 178.04 3hkz n GLN 642 N -0.23 1.55 0.00 1.47 1.13 0.00 -5.09 117.38 116.21 3hkz n GLN 642 Ca 0.02 -1.29 0.00 0.00 -1.94 0.00 0.00 57.00 53.78 3hkz n GLN 642 Cb 0.56 -0.87 0.00 0.00 0.11 0.00 0.00 30.24 30.04 3hkz n GLN 642 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hkz n GLY 643 N -0.43 1.39 0.12 1.08 0.00 -0.79 -4.99 105.19 101.57 3hkz n GLY 643 Ca 0.02 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3hkz n GLY 643 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hkz n PHE 644 N 0.00 -0.32 -3.01 1.61 -0.00 -1.26 -4.66 117.46 109.82 3hkz n PHE 644 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 57.45 57.62 3hkz n PHE 644 Cb 0.00 -1.33 0.00 0.00 -0.00 0.00 0.00 39.48 38.15 3hkz n PHE 644 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.76 174.39 3hkz n THR 645 N -0.82 0.00 -3.39 -2.13 5.66 -1.26 -5.13 114.28 107.22 3hkz n THR 645 Ca 0.00 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.84 3hkz n THR 645 Cb 0.00 0.00 -0.09 0.00 -1.55 0.00 0.00 70.33 68.69 3hkz n THR 645 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 3hkz s MET 646 N 0.77 0.33 0.71 1.09 1.75 -1.26 -4.76 119.30 117.94 3hkz s MET 646 Ca 0.00 -0.08 -0.14 0.00 -1.25 0.00 0.00 55.69 54.22 3hkz s MET 646 Cb 0.00 -0.61 0.03 0.00 2.84 0.00 0.00 34.83 37.09 3hkz s MET 646 CO 0.00 -1.02 1.14 1.03 -0.65 0.00 0.00 175.02 175.52 3hkz s ARG 647 N 2.39 2.41 -0.16 4.11 1.81 -1.26 -5.01 118.95 123.24 3hkz s ARG 647 Ca 0.09 1.47 -0.26 0.00 -1.72 0.00 0.00 55.73 55.32 3hkz s ARG 647 Cb -0.14 -1.89 -0.24 0.00 -0.45 0.00 0.00 34.95 32.23 3hkz s ARG 647 CO -0.32 -1.57 0.55 1.25 -0.68 0.00 0.00 175.30 174.53 3hkz h LEU 648 N -0.36 0.02 -1.59 2.53 6.46 -2.02 -3.27 115.31 117.09 3hkz h LEU 648 Ca -0.46 -0.81 0.10 0.00 -0.12 0.00 0.00 57.88 56.59 3hkz h LEU 648 Cb 1.26 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 41.17 3hkz h LEU 648 CO 0.52 1.22 0.61 -0.33 -0.62 0.00 0.00 178.44 179.84 3hkz h GLU 649 N -0.96 0.00 -1.23 1.25 5.08 -1.95 0.48 114.58 117.25 3hkz h GLU 649 Ca -0.15 0.00 0.35 0.00 -1.00 0.00 0.00 59.36 58.57 3hkz h GLU 649 Cb 1.16 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 3hkz h GLU 649 CO -0.08 0.00 0.83 -0.44 -1.00 0.00 0.00 179.01 178.33 3hkz h ASP 650 N 0.00 0.21 0.00 1.42 5.19 -1.96 -2.73 116.42 118.54 3hkz h ASP 650 Ca 0.16 0.06 -0.00 0.00 -0.62 0.00 0.00 57.03 56.62 3hkz h ASP 650 Cb 1.38 0.03 -0.00 0.00 0.18 0.00 0.00 39.33 40.92 3hkz h ASP 650 CO -0.00 -0.01 -1.36 0.55 -3.12 0.00 0.00 179.24 175.30 3hkz n VAL 651 N -4.42 0.02 -2.31 -1.35 3.14 0.16 -4.82 118.33 108.75 3hkz n VAL 651 Ca 0.29 -0.18 -0.37 0.00 -2.96 0.00 0.00 64.34 61.13 3hkz n VAL 651 Cb 1.22 0.28 -0.01 0.00 -1.06 0.00 0.00 33.84 34.27 3hkz n VAL 651 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3hkz s SER 652 N -2.92 6.19 0.00 6.55 1.04 -1.00 -4.28 113.70 119.27 3hkz s SER 652 Ca -0.03 2.24 0.00 0.00 0.48 0.00 0.00 55.95 58.64 3hkz s SER 652 Cb 0.05 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3hkz s SER 652 CO 0.32 -0.90 0.00 0.18 0.98 0.00 0.00 173.24 173.82 3hkz n LEU 653 N -0.57 0.00 0.00 2.42 4.77 -1.26 -4.91 117.00 117.45 3hkz n LEU 653 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3hkz n LEU 653 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3hkz n LEU 653 CO 0.46 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3hkz n GLY 654 N 5.00 0.48 7.00 -0.72 0.00 -1.26 -4.98 105.19 110.71 3hkz n GLY 654 Ca 0.00 -2.21 0.00 0.00 0.00 0.00 0.00 46.02 43.81 3hkz n GLY 654 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkz n ASP 655 N 0.42 0.00 0.20 1.61 8.00 -1.26 -0.84 116.55 124.69 3hkz n ASP 655 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 3hkz n ASP 655 Cb 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.25 3hkz n ASP 655 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3hkz h ASP 656 N 0.28 0.00 -0.88 -2.24 3.32 -1.98 -3.20 116.42 111.72 3hkz h ASP 656 Ca 0.00 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3hkz h ASP 656 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3hkz h ASP 656 CO 0.00 0.00 0.57 0.58 -1.72 0.00 0.00 179.24 178.67 3hkz h VAL 657 N 0.00 1.16 -0.66 -1.35 2.07 -1.52 0.29 116.25 116.24 3hkz h VAL 657 Ca 0.00 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.11 3hkz h VAL 657 Cb 0.99 -0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3hkz h VAL 657 CO 0.00 0.21 0.31 0.11 0.02 0.00 0.00 177.57 178.21 3hkz h LYS 658 N 1.12 0.94 -0.29 1.57 1.57 -0.98 -3.17 116.57 117.33 3hkz h LYS 658 Ca 0.35 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.88 3hkz h LYS 658 Cb -0.02 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hkz h LYS 658 CO -0.11 0.74 -0.29 0.87 -0.57 0.00 0.00 179.45 180.09 3hkz h LYS 659 N 0.94 0.60 0.00 3.15 1.57 -0.66 0.10 116.57 122.27 3hkz h LYS 659 Ca 0.23 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3hkz h LYS 659 Cb 0.11 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3hkz h LYS 659 CO -0.03 0.82 0.00 0.93 -0.57 0.00 0.00 179.45 180.60 3hkz h GLU 660 N 0.51 0.00 0.04 3.15 5.08 -0.57 0.51 114.58 123.32 3hkz h GLU 660 Ca 0.07 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 58.05 3hkz h GLU 660 Cb 0.76 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 3hkz h GLU 660 CO 0.06 0.00 -2.23 -0.89 -1.00 0.00 0.00 179.01 174.95 3hkz n ILE 661 N -2.75 1.60 0.29 3.13 5.41 -1.10 -3.13 119.36 122.81 3hkz n ILE 661 Ca 0.02 -0.54 0.19 0.00 1.00 0.00 0.00 62.75 63.42 3hkz n ILE 661 Cb 0.30 -1.63 1.02 0.00 -0.71 0.00 0.00 39.64 38.62 3hkz n ILE 661 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 3hkz h TYR 662 N -0.16 0.00 0.00 1.39 0.99 -0.68 0.53 116.97 119.03 3hkz h TYR 662 Ca -0.52 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.21 3hkz h TYR 662 Cb 1.87 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.60 3hkz h TYR 662 CO 0.04 0.00 -0.79 -1.71 -0.00 0.00 0.00 178.16 175.70 3hkz n ASN 663 N -2.84 0.70 -0.05 3.88 5.15 0.18 -4.12 115.26 118.16 3hkz n ASN 663 Ca -0.02 0.08 -0.02 0.00 -0.60 0.00 0.00 54.58 54.02 3hkz n ASN 663 Cb 0.07 0.37 -0.11 0.00 -0.53 0.00 0.00 39.78 39.58 3hkz n ASN 663 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3hkz n GLU 664 N -2.18 1.29 -0.02 1.20 4.07 0.62 -3.77 120.64 121.84 3hkz n GLU 664 Ca 0.02 -0.05 -0.16 0.00 -0.06 0.00 0.00 57.16 56.91 3hkz n GLU 664 Cb 0.46 -1.36 -0.09 0.00 -0.06 0.00 0.00 31.44 30.39 3hkz n GLU 664 CO 0.00 0.00 0.00 -0.84 -0.06 0.00 0.00 177.13 176.23 3hkz h ILE 665 N 0.00 1.39 0.00 6.31 3.07 -0.31 0.23 117.51 128.20 3hkz h ILE 665 Ca -0.25 -1.84 -0.02 0.00 1.55 0.00 0.00 64.86 64.30 3hkz h ILE 665 Cb 1.46 2.30 -0.00 0.00 -0.27 0.00 0.00 36.82 40.31 3hkz h ILE 665 CO 0.01 0.54 -0.07 -2.24 -1.05 0.00 0.00 178.15 175.34 3hkz h ASP 666 N 0.01 0.00 0.84 2.16 -0.00 -1.79 0.98 116.42 118.63 3hkz h ASP 666 Ca -0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.03 56.76 3hkz h ASP 666 Cb 1.13 0.00 -0.03 0.00 -0.00 0.00 0.00 39.33 40.43 3hkz h ASP 666 CO 0.10 0.07 -1.19 -0.09 -0.00 0.00 0.00 179.24 178.13 3hkz h ARG 667 N 0.00 0.03 0.18 4.15 2.43 -1.62 -3.23 114.38 116.31 3hkz h ARG 667 Ca -0.00 -0.04 -0.33 0.00 -0.81 0.00 0.00 59.98 58.79 3hkz h ARG 667 Cb 0.39 0.02 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3hkz h ARG 667 CO 0.01 0.91 -1.59 0.00 -1.51 0.00 0.00 179.97 177.79 3hkz h ALA 668 N 0.95 0.11 -0.77 2.80 0.00 0.21 -3.27 119.26 119.29 3hkz h ALA 668 Ca -0.09 -1.05 0.01 0.00 0.00 0.00 0.00 54.91 53.78 3hkz h ALA 668 Cb 1.85 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.90 3hkz h ALA 668 CO 0.12 0.97 0.51 0.87 0.00 0.00 0.00 179.25 181.73 3hkz h LYS 669 N 0.10 1.02 -0.77 0.00 1.57 0.71 -2.82 116.57 116.39 3hkz h LYS 669 Ca -0.28 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 58.56 3hkz h LYS 669 Cb 2.09 -0.23 -0.08 0.00 0.08 0.00 0.00 32.23 34.08 3hkz h LYS 669 CO 0.20 0.68 0.37 -0.39 -0.57 0.00 0.00 179.45 179.74 3hkz h VAL 670 N 1.05 0.76 -0.65 0.50 -1.51 -1.61 0.18 116.25 114.98 3hkz h VAL 670 Ca 0.28 -0.20 0.04 0.00 -1.23 0.00 0.00 66.70 65.60 3hkz h VAL 670 Cb -0.11 0.14 -0.04 0.00 -2.13 0.00 0.00 31.29 29.15 3hkz h VAL 670 CO -0.06 0.10 0.43 -0.08 -1.23 0.00 0.00 177.57 176.73 3hkz h GLU 671 N 0.57 0.70 0.00 5.19 4.81 -1.57 -3.10 114.58 121.18 3hkz h GLU 671 Ca 0.40 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.57 3hkz h GLU 671 Cb 0.52 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 3hkz h GLU 671 CO -0.33 0.47 -0.18 0.28 -0.73 0.00 0.00 179.01 178.51 3hkz h VAL 672 N 0.72 0.56 -0.83 0.32 2.07 -0.73 -2.92 116.25 115.44 3hkz h VAL 672 Ca 0.27 -1.46 0.30 0.00 0.82 0.00 0.00 66.70 66.62 3hkz h VAL 672 Cb 0.15 1.10 -0.15 0.00 -1.52 0.00 0.00 31.29 30.86 3hkz h VAL 672 CO -0.08 0.19 0.26 0.47 0.02 0.00 0.00 177.57 178.43 3hkz n ASP 673 N -4.68 0.12 0.10 0.57 9.92 -0.26 0.18 116.55 122.49 3hkz n ASP 673 Ca -0.06 1.40 0.03 0.00 -0.53 0.00 0.00 54.79 55.62 3hkz n ASP 673 Cb 0.22 -0.60 -0.01 0.00 -0.64 0.00 0.00 41.12 40.09 3hkz n ASP 673 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3hkz h ASN 674 N 0.00 0.00 0.11 -2.24 7.08 -1.67 -3.06 115.58 115.80 3hkz h ASN 674 Ca 0.62 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 53.78 3hkz h ASN 674 Cb 1.51 0.00 -0.01 0.00 -2.08 0.00 0.00 38.32 37.74 3hkz h ASN 674 CO -0.70 0.45 -0.20 0.25 -2.08 0.00 0.00 177.43 175.15 3hkz h LEU 675 N 0.00 0.16 -0.28 6.14 6.46 0.20 -1.31 115.31 126.68 3hkz h LEU 675 Ca -0.06 -0.04 -0.19 0.00 -0.12 0.00 0.00 57.88 57.47 3hkz h LEU 675 Cb 1.40 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 3hkz h LEU 675 CO 0.05 0.38 -0.56 0.40 -0.62 0.00 0.00 178.44 178.08 3hkz h ILE 676 N 0.16 1.27 -0.01 4.05 1.08 -1.35 -3.12 117.51 119.59 3hkz h ILE 676 Ca 0.03 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.76 3hkz h ILE 676 Cb 0.45 1.66 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 3hkz h ILE 676 CO 0.03 0.57 0.07 1.56 -0.69 0.00 0.00 178.15 179.69 3hkz h GLN 677 N 0.66 0.00 0.00 2.37 4.20 -1.16 0.13 115.11 121.31 3hkz h GLN 677 Ca 0.01 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 3hkz h GLN 677 Cb 1.18 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.93 3hkz h GLN 677 CO 0.13 0.00 -0.86 0.87 -0.67 0.00 0.00 178.83 178.30 3hkz h LYS 678 N 0.00 0.00 0.02 1.46 1.57 -1.32 -2.83 116.57 115.47 3hkz h LYS 678 Ca 0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3hkz h LYS 678 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3hkz h LYS 678 CO -0.00 0.62 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.57 3hkz h TYR 679 N 0.00 -0.03 -0.29 -1.35 3.20 -0.88 0.80 116.97 118.43 3hkz h TYR 679 Ca -0.05 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 3hkz h TYR 679 Cb 1.57 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.83 3hkz h TYR 679 CO 0.00 0.63 0.11 0.87 -1.64 0.00 0.00 178.16 178.13 3hkz h LYS 680 N -0.96 0.40 -1.94 1.82 1.57 -1.14 -2.58 116.57 113.73 3hkz h LYS 680 Ca -0.00 -0.05 -0.72 0.00 -1.87 0.00 0.00 60.65 58.01 3hkz h LYS 680 Cb 0.67 -0.08 -0.26 0.00 0.08 0.00 0.00 32.23 32.65 3hkz h LYS 680 CO 0.01 0.34 0.95 0.09 -0.57 0.00 0.00 179.45 180.26 3hkz n ASN 681 N -4.41 7.37 -2.66 0.86 3.02 -1.07 -4.97 115.26 113.40 3hkz n ASN 681 Ca 0.01 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.83 3hkz n ASN 681 Cb 0.13 -1.09 0.00 0.00 -0.61 0.00 0.00 39.78 38.21 3hkz n ASN 681 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hkz n GLY 682 N -0.33 0.00 0.95 7.41 0.00 -0.97 -4.76 105.19 107.49 3hkz n GLY 682 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3hkz n GLY 682 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 683 N -0.62 0.00 -2.28 1.61 1.02 0.23 -5.05 120.64 115.54 3hkz n GLU 683 Ca 0.00 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.75 3hkz n GLU 683 Cb 0.00 -0.52 -0.02 0.00 -0.02 0.00 0.00 31.44 30.88 3hkz n GLU 683 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3hkz s LEU 684 N -5.81 4.23 0.27 -4.62 0.20 -0.91 -5.04 118.68 107.01 3hkz s LEU 684 Ca 0.00 2.38 -0.09 0.00 0.69 0.00 0.00 54.13 57.11 3hkz s LEU 684 Cb 0.00 -3.97 -0.07 0.00 -0.43 0.00 0.00 46.19 41.73 3hkz s LEU 684 CO 0.00 -0.64 0.59 -1.61 -0.29 0.00 0.00 176.35 174.40 3hkz s GLU 685 N -2.21 3.77 0.00 1.98 0.41 -1.26 -5.00 118.70 116.39 3hkz s GLU 685 Ca 0.56 0.26 0.00 0.00 -0.41 0.00 0.00 54.97 55.37 3hkz s GLU 685 Cb -0.32 -2.60 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 3hkz s GLU 685 CO 0.40 0.24 0.00 -0.35 -0.49 0.00 0.00 175.26 175.06 3hkz n PRO 686 N -0.49 3.45 -3.68 0.39 -0.04 -1.26 -4.99 135.00 128.38 3hkz n PRO 686 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 3hkz n PRO 686 Cb 0.53 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.82 3hkz n PRO 686 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3hkz s ILE 687 N 1.25 0.10 -0.97 0.52 1.01 -1.25 -5.08 121.20 116.77 3hkz s ILE 687 Ca 0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 60.65 60.42 3hkz s ILE 687 Cb 0.00 -0.52 -0.26 0.00 0.01 0.00 0.00 42.46 41.69 3hkz s ILE 687 CO 0.00 -0.03 2.44 -0.81 0.00 0.00 0.00 174.94 176.54 3hkz n PRO 688 N 5.22 0.00 0.00 2.79 -0.04 -1.26 -0.64 135.00 141.07 3hkz n PRO 688 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3hkz n PRO 688 Cb 0.49 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 3hkz n PRO 688 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hkz n GLY 689 N 5.98 3.56 3.72 0.55 0.00 -1.26 -5.09 105.19 112.64 3hkz n GLY 689 Ca 0.65 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 3hkz n GLY 689 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkz s ARG 690 N 0.00 4.56 0.64 1.61 1.81 0.19 -5.02 118.95 122.74 3hkz s ARG 690 Ca 0.00 1.33 -0.16 0.00 -1.72 0.00 0.00 55.73 55.17 3hkz s ARG 690 Cb 0.00 -3.44 -0.01 0.00 -0.45 0.00 0.00 34.95 31.05 3hkz s ARG 690 CO 0.00 0.03 1.13 0.99 -0.68 0.00 0.00 175.30 176.77 3hkz s THR 691 N 0.76 3.06 0.17 0.02 2.01 -1.26 -3.88 115.64 116.52 3hkz s THR 691 Ca 0.48 0.55 -0.28 0.00 0.31 0.00 0.00 61.69 62.75 3hkz s THR 691 Cb -0.21 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.20 3hkz s THR 691 CO 0.27 -0.25 1.55 -0.07 -0.69 0.00 0.00 174.62 175.43 3hkz h LEU 692 N 0.33 -1.77 -1.16 4.42 4.07 -1.96 1.08 115.31 120.32 3hkz h LEU 692 Ca -0.48 0.28 -0.02 0.00 0.08 0.00 0.00 57.88 57.74 3hkz h LEU 692 Cb 1.26 0.80 -0.03 0.00 1.08 0.00 0.00 40.66 43.77 3hkz h LEU 692 CO 0.54 -0.31 0.29 -0.33 -1.08 0.00 0.00 178.44 177.55 3hkz h GLU 693 N -0.16 0.88 0.89 1.13 5.08 -1.98 0.70 114.58 121.11 3hkz h GLU 693 Ca 0.17 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3hkz h GLU 693 Cb 0.53 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3hkz h GLU 693 CO -0.79 0.68 -0.43 0.93 -1.00 0.00 0.00 179.01 178.41 3hkz h GLU 694 N 0.87 -1.15 -0.53 2.33 5.08 -1.59 -3.10 114.58 116.50 3hkz h GLU 694 Ca 0.22 0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3hkz h GLU 694 Cb 0.10 0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hkz h GLU 694 CO -0.03 -0.77 0.24 0.66 -1.00 0.00 0.00 179.01 178.12 3hkz h SER 695 N -1.24 0.66 -0.90 1.42 4.64 0.17 0.21 113.55 118.51 3hkz h SER 695 Ca -0.12 -0.06 0.06 0.00 -0.47 0.00 0.00 61.79 61.19 3hkz h SER 695 Cb 0.92 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.78 3hkz h SER 695 CO 0.20 0.57 0.58 0.25 -0.87 0.00 0.00 176.83 177.57 3hkz h LEU 696 N 0.74 0.91 -0.02 5.97 7.12 0.28 -1.05 115.31 129.26 3hkz h LEU 696 Ca 0.18 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.17 3hkz h LEU 696 Cb 0.09 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 40.03 3hkz h LEU 696 CO -0.02 0.59 -0.07 -0.33 -0.13 0.00 0.00 178.44 178.47 3hkz h GLU 697 N 1.03 0.09 -0.77 1.25 4.39 -0.63 -2.80 114.58 117.15 3hkz h GLU 697 Ca 0.38 -0.07 0.14 0.00 0.34 0.00 0.00 59.36 60.15 3hkz h GLU 697 Cb 0.17 0.01 -0.14 0.00 -0.10 0.00 0.00 28.75 28.69 3hkz h GLU 697 CO -0.14 0.70 -0.31 -0.91 -1.16 0.00 0.00 179.01 177.19 3hkz h ASN 698 N -0.50 -1.11 -0.59 1.42 4.21 -0.67 0.50 115.58 118.84 3hkz h ASN 698 Ca -0.00 0.26 0.11 0.00 1.21 0.00 0.00 56.30 57.88 3hkz h ASN 698 Cb 0.70 0.60 -0.09 0.00 -1.12 0.00 0.00 38.32 38.42 3hkz h ASN 698 CO 0.02 -0.29 0.09 1.88 -1.29 0.00 0.00 177.43 177.83 3hkz h TYR 699 N -0.07 0.13 -0.29 1.19 0.99 -1.23 0.26 116.97 117.95 3hkz h TYR 699 Ca 0.31 0.04 -0.03 0.00 2.00 0.00 0.00 58.73 61.05 3hkz h TYR 699 Cb 0.58 0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.33 3hkz h TYR 699 CO -0.70 -0.07 0.08 0.82 -0.00 0.00 0.00 178.16 178.28 3hkz h ILE 700 N 0.21 1.21 -0.20 -2.88 1.08 -0.49 -0.50 117.51 115.94 3hkz h ILE 700 Ca 0.31 -0.70 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 3hkz h ILE 700 Cb 0.47 1.12 -0.07 0.00 -3.07 0.00 0.00 36.82 35.27 3hkz h ILE 700 CO -0.43 0.23 -0.38 -0.07 -0.69 0.00 0.00 178.15 176.81 3hkz h LEU 701 N 0.30 -1.22 0.04 1.44 3.38 0.28 -1.60 115.31 117.93 3hkz h LEU 701 Ca 0.09 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3hkz h LEU 701 Cb 0.27 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 3hkz h LEU 701 CO -0.00 -0.39 -0.38 0.44 0.09 0.00 0.00 178.44 178.20 3hkz h ASP 702 N -0.41 -1.15 -0.82 -0.43 5.19 -0.76 0.23 116.42 118.26 3hkz h ASP 702 Ca 0.10 0.14 0.18 0.00 -0.62 0.00 0.00 57.03 56.83 3hkz h ASP 702 Cb 0.59 0.45 -0.11 0.00 0.18 0.00 0.00 39.33 40.43 3hkz h ASP 702 CO -0.43 -0.44 0.30 0.74 -3.12 0.00 0.00 179.24 176.29 3hkz h THR 703 N -0.56 0.52 0.13 0.35 2.02 -1.00 -2.28 112.91 112.09 3hkz h THR 703 Ca 0.04 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.09 3hkz h THR 703 Cb 0.63 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 3hkz h THR 703 CO -0.28 0.07 -0.06 -0.07 0.37 0.00 0.00 175.52 175.55 3hkz h LEU 704 N 0.36 -0.15 -1.59 2.58 3.38 -0.57 -1.81 115.31 117.52 3hkz h LEU 704 Ca 0.48 -0.34 0.20 0.00 0.09 0.00 0.00 57.88 58.31 3hkz h LEU 704 Cb 0.85 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3hkz h LEU 704 CO -0.50 0.45 0.80 0.44 0.09 0.00 0.00 178.44 179.71 3hkz h ASP 705 N -0.94 0.00 0.11 -0.43 3.32 -0.44 0.19 116.42 118.22 3hkz h ASP 705 Ca -0.02 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.66 3hkz h ASP 705 Cb 0.48 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.00 3hkz h ASP 705 CO 0.03 0.00 -2.10 0.29 -1.72 0.00 0.00 179.24 175.74 3hkz n LYS 706 N -3.50 0.74 -0.77 3.56 5.02 -0.87 -3.66 118.16 118.67 3hkz n LYS 706 Ca 0.15 0.24 -0.15 0.00 -2.02 0.00 0.00 58.31 56.53 3hkz n LYS 706 Cb 1.04 -1.67 0.07 0.00 -0.02 0.00 0.00 35.03 34.45 3hkz n LYS 706 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hkz n LEU 707 N -3.43 5.68 0.00 -0.35 4.77 0.54 -0.49 117.00 123.72 3hkz n LEU 707 Ca -0.35 -2.95 0.00 0.00 -0.03 0.00 0.00 56.01 52.69 3hkz n LEU 707 Cb 1.04 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 3hkz n LEU 707 CO 0.39 0.99 -0.20 -2.11 -1.33 0.00 0.00 177.39 175.14 3hkz n ARG 708 N -0.09 1.46 0.08 3.23 1.85 -0.52 -4.61 116.66 118.05 3hkz n ARG 708 Ca 0.32 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 57.09 3hkz n ARG 708 Cb 0.88 -0.70 -0.09 0.00 -1.05 0.00 0.00 32.46 31.50 3hkz n ARG 708 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3hkz h SER 709 N 0.00 0.09 0.61 2.89 4.64 -1.53 -2.39 113.55 117.86 3hkz h SER 709 Ca 0.00 -0.09 -0.03 0.00 -0.47 0.00 0.00 61.79 61.20 3hkz h SER 709 Cb 0.40 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3hkz h SER 709 CO 0.00 1.02 -0.16 0.74 -0.87 0.00 0.00 176.83 177.56 3hkz h THR 710 N 0.02 0.53 -0.06 2.95 2.02 -1.09 -0.29 112.91 116.99 3hkz h THR 710 Ca -0.03 -0.77 -0.12 0.00 0.77 0.00 0.00 66.41 66.26 3hkz h THR 710 Cb 1.71 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3hkz h THR 710 CO 0.14 0.15 -0.52 0.00 0.37 0.00 0.00 175.52 175.66 3hkz h ALA 711 N 1.84 1.00 -0.14 6.16 0.00 -1.73 -2.94 119.26 123.46 3hkz h ALA 711 Ca -0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3hkz h ALA 711 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hkz h ALA 711 CO 0.02 0.67 -0.27 0.78 0.00 0.00 0.00 179.25 180.45 3hkz h GLY 712 N 1.43 0.46 1.29 0.00 0.00 -0.61 -2.06 103.07 103.58 3hkz h GLY 712 Ca 0.00 -0.55 0.10 0.00 0.00 0.00 0.00 47.33 46.88 3hkz h GLY 712 CO 0.08 0.49 0.26 -0.55 0.00 0.00 0.00 176.54 176.82 3hkz h ASP 713 N 0.02 0.00 -0.02 0.19 3.32 -1.17 0.31 116.42 119.08 3hkz h ASP 713 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3hkz h ASP 713 Cb 0.86 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 3hkz h ASP 713 CO 0.06 0.00 -0.03 0.40 -1.72 0.00 0.00 179.24 177.95 3hkz h ILE 714 N 0.00 1.44 -0.04 0.35 1.08 -1.39 -3.27 117.51 115.68 3hkz h ILE 714 Ca 0.16 -1.32 -0.00 0.00 -0.39 0.00 0.00 64.86 63.31 3hkz h ILE 714 Cb 0.68 2.30 -0.00 0.00 -3.07 0.00 0.00 36.82 36.73 3hkz h ILE 714 CO -0.00 0.35 0.02 0.00 -0.69 0.00 0.00 178.15 177.83 3hkz h ALA 715 N 0.46 0.05 0.00 1.87 0.00 -0.12 -2.58 119.26 118.93 3hkz h ALA 715 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3hkz h ALA 715 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hkz h ALA 715 CO 0.01 -0.42 0.00 -1.13 0.00 0.00 0.00 179.25 177.71 3hkz n SER 716 N -5.03 0.11 0.01 0.00 3.41 0.86 -1.65 113.62 111.33 3hkz n SER 716 Ca -0.06 0.54 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 3hkz n SER 716 Cb 0.06 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.35 3hkz n SER 716 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hkz n LYS 717 N -1.63 0.64 -0.03 4.33 5.02 -0.98 -4.36 118.16 121.15 3hkz n LYS 717 Ca 0.02 0.05 0.03 0.00 -2.02 0.00 0.00 58.31 56.38 3hkz n LYS 717 Cb 0.10 -1.69 -0.11 0.00 -0.02 0.00 0.00 35.03 33.31 3hkz n LYS 717 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 3hkz n TYR 718 N -2.64 0.00 -2.40 2.13 4.02 -1.05 -4.86 117.16 112.36 3hkz n TYR 718 Ca -0.10 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.40 3hkz n TYR 718 Cb 0.75 -0.45 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 3hkz n TYR 718 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3hkz s LEU 719 N -4.35 3.22 -0.26 7.72 2.96 -0.66 -4.94 118.68 122.38 3hkz s LEU 719 Ca -0.06 -0.33 -0.35 0.00 -0.22 0.00 0.00 54.13 53.16 3hkz s LEU 719 Cb 0.08 -2.55 -0.12 0.00 0.50 0.00 0.00 46.19 44.10 3hkz s LEU 719 CO 0.59 -1.99 2.03 -0.90 -1.32 0.00 0.00 176.35 174.77 3hkz n ASP 720 N 10.40 2.62 -0.08 3.68 3.85 -1.26 -4.73 116.55 131.03 3hkz n ASP 720 Ca 0.12 0.66 0.00 0.00 -0.71 0.00 0.00 54.79 54.86 3hkz n ASP 720 Cb 0.50 -1.29 0.00 0.00 -1.35 0.00 0.00 41.12 38.98 3hkz n ASP 720 CO 0.00 0.00 0.00 -2.65 -1.01 0.00 0.00 177.20 173.54 3hkz n PRO 721 N 7.34 0.00 0.00 0.11 -0.02 -1.26 -0.12 135.00 141.05 3hkz n PRO 721 Ca 0.33 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 3hkz n PRO 721 Cb 0.25 -0.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.79 3hkz n PRO 721 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3hkz n PHE 722 N -0.09 0.00 -3.32 6.00 3.01 -1.26 -4.36 117.46 117.44 3hkz n PHE 722 Ca 0.00 -0.35 -0.38 0.00 1.01 0.00 0.00 57.45 57.73 3hkz n PHE 722 Cb 0.00 -0.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.38 3hkz n PHE 722 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3hkz s ASN 723 N -0.70 6.95 0.12 4.37 4.22 0.83 -4.82 114.94 125.92 3hkz s ASN 723 Ca 0.00 1.13 -0.23 0.00 -2.14 0.00 0.00 52.86 51.62 3hkz s ASN 723 Cb 0.00 -2.33 -0.05 0.00 1.28 0.00 0.00 41.25 40.15 3hkz s ASN 723 CO 0.00 0.23 1.13 0.49 -2.04 0.00 0.00 177.10 176.92 3hkz n PHE 724 N 2.09 -0.32 -0.00 1.54 3.01 -1.26 0.89 117.46 123.40 3hkz n PHE 724 Ca -0.10 0.92 0.13 0.00 1.01 0.00 0.00 57.45 59.41 3hkz n PHE 724 Cb 0.51 -0.56 0.56 0.00 -0.01 0.00 0.00 39.48 39.99 3hkz n PHE 724 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hkz h ALA 725 N 0.37 2.11 0.00 4.37 0.00 -1.87 0.30 119.26 124.53 3hkz h ALA 725 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hkz h ALA 725 Cb 0.30 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3hkz h ALA 725 CO -0.69 -0.22 -1.30 0.98 0.00 0.00 0.00 179.25 178.02 3hkz n TYR 726 N -4.46 0.26 0.14 0.00 4.19 0.26 -3.27 117.16 114.27 3hkz n TYR 726 Ca 0.07 0.08 -0.06 0.00 3.31 0.00 0.00 57.90 61.30 3hkz n TYR 726 Cb 0.36 -0.48 -0.03 0.00 0.49 0.00 0.00 39.34 39.69 3hkz n TYR 726 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 3hkz h VAL 727 N 0.00 0.00 -1.08 2.97 2.07 0.88 -3.36 116.25 117.73 3hkz h VAL 727 Ca 0.00 -0.26 0.38 0.00 0.82 0.00 0.00 66.70 67.64 3hkz h VAL 727 Cb 0.82 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.44 3hkz h VAL 727 CO 0.00 0.00 0.63 0.24 0.02 0.00 0.00 177.57 178.46 3hkz h MET 728 N -0.64 0.17 -6.52 1.57 2.86 -0.55 -2.68 114.93 109.13 3hkz h MET 728 Ca -0.04 -0.01 -0.52 0.00 -2.06 0.00 0.00 59.70 57.07 3hkz h MET 728 Cb 0.29 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3hkz h MET 728 CO 0.06 0.11 -0.10 0.00 1.06 0.00 0.00 176.91 178.05 3hkz s ALA 729 N -5.53 3.57 0.00 6.32 0.00 -1.19 -2.64 121.76 122.29 3hkz s ALA 729 Ca -0.09 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.43 3hkz s ALA 729 Cb 0.31 -2.39 0.00 0.00 0.00 0.00 0.00 23.12 21.04 3hkz s ALA 729 CO 0.79 0.27 0.00 0.54 0.00 0.00 0.00 175.76 177.37 3hkz n ARG 730 N -0.79 0.00 0.02 0.00 1.74 -1.26 -4.55 116.66 111.82 3hkz n ARG 730 Ca -0.01 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.19 3hkz n ARG 730 Cb 0.54 -2.14 0.11 0.00 -1.02 0.00 0.00 32.46 29.95 3hkz n ARG 730 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 3hkz n THR 731 N -1.72 0.12 0.00 0.55 5.66 -1.01 -2.81 114.28 115.06 3hkz n THR 731 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 3hkz n THR 731 Cb 0.00 0.26 0.00 0.00 -1.55 0.00 0.00 70.33 69.04 3hkz n THR 731 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hkz n GLY 732 N 1.43 3.09 0.00 1.09 0.00 -1.22 -3.13 105.19 106.45 3hkz n GLY 732 Ca 0.04 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3hkz n GLY 732 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkz n ALA 733 N 0.00 0.00 -3.31 4.61 0.00 -1.08 -4.57 120.51 116.16 3hkz n ALA 733 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3hkz n ALA 733 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3hkz n ALA 733 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkz s ARG 734 N -0.69 0.61 0.00 0.00 6.06 -1.13 -4.69 118.95 119.11 3hkz s ARG 734 Ca 0.00 0.28 0.00 0.00 -2.50 0.00 0.00 55.73 53.51 3hkz s ARG 734 Cb 0.00 0.29 0.00 0.00 0.06 0.00 0.00 34.95 35.30 3hkz s ARG 734 CO 0.00 -0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.08 3hkz n GLY 735 N 2.10 3.11 2.90 8.12 0.00 -1.26 -3.19 105.19 116.98 3hkz n GLY 735 Ca -0.17 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 43.97 3hkz n GLY 735 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hkz s SER 736 N 0.00 0.47 0.25 1.61 0.15 -1.26 -4.54 113.70 110.38 3hkz s SER 736 Ca 0.00 -0.06 -0.03 0.00 0.70 0.00 0.00 55.95 56.56 3hkz s SER 736 Cb 0.00 -0.13 0.51 0.00 -1.71 0.00 0.00 66.02 64.69 3hkz s SER 736 CO 0.00 -0.00 1.72 -0.37 1.20 0.00 0.00 173.24 175.79 3hkz h VAL 737 N 5.46 0.62 -1.33 4.45 -1.51 -1.98 0.75 116.25 122.72 3hkz h VAL 737 Ca -0.32 -0.15 0.39 0.00 -1.23 0.00 0.00 66.70 65.38 3hkz h VAL 737 Cb 1.18 0.15 -0.05 0.00 -2.13 0.00 0.00 31.29 30.43 3hkz h VAL 737 CO 0.49 0.08 1.04 -0.07 -1.23 0.00 0.00 177.57 177.89 3hkz h LEU 738 N 0.44 0.00 -0.83 4.19 -0.00 -1.99 0.18 115.31 117.30 3hkz h LEU 738 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.32 3hkz h LEU 738 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.36 3hkz h LEU 738 CO -0.43 0.00 -0.06 -0.46 -0.00 0.00 0.00 178.44 177.49 3hkz n ASN 739 N -3.92 1.04 -0.04 -0.43 6.94 0.23 -3.07 115.26 116.00 3hkz n ASN 739 Ca 0.29 -1.02 -0.14 0.00 -0.02 0.00 0.00 54.58 53.69 3hkz n ASN 739 Cb 1.46 0.30 -0.12 0.00 -2.36 0.00 0.00 39.78 39.07 3hkz n ASN 739 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 3hkz h ILE 740 N 0.67 1.62 0.00 1.53 2.04 0.52 -2.60 117.51 121.28 3hkz h ILE 740 Ca 0.00 -1.84 0.00 0.00 1.00 0.00 0.00 64.86 64.02 3hkz h ILE 740 Cb 0.17 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.11 3hkz h ILE 740 CO 0.00 0.48 0.00 0.41 0.00 0.00 0.00 178.15 179.04 3hkz n THR 741 N -4.70 0.00 -0.27 -0.27 -1.04 0.51 0.11 114.28 108.62 3hkz n THR 741 Ca -0.09 0.91 0.08 0.00 -2.04 0.00 0.00 64.05 62.90 3hkz n THR 741 Cb 0.39 -1.37 0.16 0.00 -1.82 0.00 0.00 70.33 67.69 3hkz n THR 741 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n GLN 742 N -0.93 -0.07 0.43 -2.82 6.02 -1.18 0.07 117.38 118.91 3hkz n GLN 742 Ca 0.00 1.19 -0.17 0.00 -0.01 0.00 0.00 57.00 58.00 3hkz n GLN 742 Cb 0.00 -1.82 -0.08 0.00 1.02 0.00 0.00 30.24 29.35 3hkz n GLN 742 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3hkz h MET 743 N 0.00 -1.06 0.09 -1.09 2.86 -0.98 -3.07 114.93 111.67 3hkz h MET 743 Ca 0.41 0.07 -0.25 0.00 -2.06 0.00 0.00 59.70 57.87 3hkz h MET 743 Cb 0.74 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 3hkz h MET 743 CO -0.77 -0.70 -1.16 0.00 1.06 0.00 0.00 176.91 175.35 3hkz h ALA 744 N -1.21 0.18 -2.71 6.32 0.00 0.48 -2.64 119.26 119.69 3hkz h ALA 744 Ca -0.11 -0.88 -0.16 0.00 0.00 0.00 0.00 54.91 53.75 3hkz h ALA 744 Cb 0.85 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 18.29 3hkz h ALA 744 CO 0.18 1.05 -0.45 0.00 0.00 0.00 0.00 179.25 180.03 3hkz s ALA 745 N -2.70 -0.83 0.05 0.00 0.00 0.34 -4.47 121.76 114.16 3hkz s ALA 745 Ca -0.03 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.13 3hkz s ALA 745 Cb 0.08 -1.14 0.00 0.00 0.00 0.00 0.00 23.12 22.06 3hkz s ALA 745 CO 0.86 -0.67 0.00 0.00 0.00 0.00 0.00 175.76 175.96 3hkz n MET 746 N 5.30 -0.59 0.03 0.00 -0.00 -1.24 -3.90 117.12 116.72 3hkz n MET 746 Ca -0.08 0.43 -0.02 0.00 -0.00 0.00 0.00 57.70 58.02 3hkz n MET 746 Cb 0.50 -0.92 -0.01 0.00 -0.00 0.00 0.00 33.22 32.78 3hkz n MET 746 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 3hkz h LEU 747 N 1.61 -0.12 -1.35 3.17 3.38 -1.49 -3.26 115.31 117.25 3hkz h LEU 747 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hkz h LEU 747 Cb 0.00 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3hkz h LEU 747 CO 0.00 0.18 0.00 0.61 0.09 0.00 0.00 178.44 179.32 3hkz n GLY 748 N 1.31 -3.12 2.04 0.83 0.00 -0.59 -4.79 105.19 100.87 3hkz n GLY 748 Ca -0.02 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3hkz n GLY 748 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3hkz n GLN 749 N 0.13 -4.60 -3.42 1.61 -0.06 -1.26 -4.77 117.38 105.01 3hkz n GLN 749 Ca 0.00 3.25 -0.33 0.00 -2.00 0.00 0.00 57.00 57.92 3hkz n GLN 749 Cb 0.00 -3.68 -0.06 0.00 -4.06 0.00 0.00 30.24 22.44 3hkz n GLN 749 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 3hkz n GLN 750 N 1.90 2.94 -1.64 3.69 1.13 -1.26 -4.67 117.38 119.46 3hkz n GLN 750 Ca 0.00 -4.59 -0.47 0.00 -1.94 0.00 0.00 57.00 50.00 3hkz n GLN 750 Cb 0.00 -2.35 -0.04 0.00 0.11 0.00 0.00 30.24 27.96 3hkz n GLN 750 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3hkz n SER 751 N 1.37 2.47 -4.18 1.08 2.88 -1.26 -4.24 113.62 111.73 3hkz n SER 751 Ca 0.26 1.12 -0.12 0.00 -1.33 0.00 0.00 58.87 58.80 3hkz n SER 751 Cb 0.38 -1.35 -0.10 0.00 -0.75 0.00 0.00 64.21 62.39 3hkz n SER 751 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3hkz s VAL 752 N 0.39 0.01 0.00 2.46 -7.23 0.25 -4.82 120.40 111.46 3hkz s VAL 752 Ca 0.76 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 3hkz s VAL 752 Cb -0.75 -2.43 0.00 0.00 0.56 0.00 0.00 36.38 33.76 3hkz s VAL 752 CO 0.45 -0.06 0.00 -1.14 -0.31 0.00 0.00 175.10 174.04 3hkz n ARG 753 N -0.25 0.00 0.00 4.82 0.63 -1.26 0.97 116.66 121.57 3hkz n ARG 753 Ca 0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.94 3hkz n ARG 753 Cb 0.66 -3.83 0.00 0.00 0.45 0.00 0.00 32.46 29.74 3hkz n ARG 753 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hkz n GLY 754 N -1.43 2.99 0.07 5.14 0.00 -1.26 -5.06 105.19 105.64 3hkz n GLY 754 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hkz n GLY 754 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hkz n GLU 755 N -1.22 1.26 -2.21 1.61 0.00 0.27 -5.02 120.64 115.33 3hkz n GLU 755 Ca 0.00 -0.06 -0.27 0.00 0.00 0.00 0.00 57.16 56.83 3hkz n GLU 755 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 31.44 31.50 3hkz n GLU 755 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 3hkz s ARG 756 N -2.04 2.50 -1.13 5.31 0.52 -1.26 -0.58 118.95 122.26 3hkz s ARG 756 Ca 0.01 -0.06 -0.23 0.00 -0.52 0.00 0.00 55.73 54.92 3hkz s ARG 756 Cb -0.00 -2.17 -0.09 0.00 0.52 0.00 0.00 34.95 33.21 3hkz s ARG 756 CO 0.01 -1.06 1.95 0.42 0.02 0.00 0.00 175.30 176.64 3hkz s ILE 757 N -3.20 3.49 0.00 1.52 -1.09 0.05 -4.62 121.20 117.36 3hkz s ILE 757 Ca 0.58 -0.78 0.00 0.00 -2.23 0.00 0.00 60.65 58.22 3hkz s ILE 757 Cb -0.11 -4.44 0.00 0.00 -1.58 0.00 0.00 42.46 36.34 3hkz s ILE 757 CO 0.46 -0.92 0.00 2.29 -1.23 0.00 0.00 174.94 175.54 3hkz n LYS 758 N 8.37 -0.51 -1.06 2.79 2.85 -1.26 -4.34 118.16 125.00 3hkz n LYS 758 Ca 0.44 0.00 -0.35 0.00 -1.05 0.00 0.00 58.31 57.35 3hkz n LYS 758 Cb 0.47 0.00 0.07 0.00 -0.65 0.00 0.00 35.03 34.92 3hkz n LYS 758 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 177.40 180.24 3hkz n ARG 759 N -1.21 0.03 0.00 -1.58 0.00 -1.26 -4.75 116.66 107.88 3hkz n ARG 759 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.85 57.89 3hkz n ARG 759 Cb 0.00 -1.59 0.00 0.00 -0.00 0.00 0.00 32.46 30.87 3hkz n ARG 759 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3hkz n GLY 760 N 2.06 1.00 1.37 2.89 0.00 -1.26 -4.88 105.19 106.36 3hkz n GLY 760 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.12 3hkz n GLY 760 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hkz n TYR 761 N 0.00 0.15 -3.08 1.61 4.01 -1.26 -4.91 117.16 113.68 3hkz n TYR 761 Ca 0.00 -0.91 -0.11 0.00 -0.16 0.00 0.00 57.90 56.72 3hkz n TYR 761 Cb 0.06 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 38.91 3hkz n TYR 761 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 3hkz n MET 762 N -0.02 -1.93 -3.14 -0.72 0.00 -1.26 -4.34 117.12 105.71 3hkz n MET 762 Ca 0.10 1.73 -0.08 0.00 -0.00 0.00 0.00 57.70 59.45 3hkz n MET 762 Cb 1.00 -4.94 0.01 0.00 0.00 0.00 0.00 33.22 29.30 3hkz n MET 762 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 3hkz n THR 763 N -0.93 -4.84 -0.02 1.12 -1.04 -1.26 -4.81 114.28 102.51 3hkz n THR 763 Ca 0.02 0.70 0.00 0.00 -2.04 0.00 0.00 64.05 62.73 3hkz n THR 763 Cb 0.52 -4.12 0.00 0.00 -1.82 0.00 0.00 70.33 64.92 3hkz n THR 763 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 3hkz n ARG 764 N 0.80 0.00 0.00 -2.82 1.85 -1.26 -2.83 116.66 112.39 3hkz n ARG 764 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.84 3hkz n ARG 764 Cb 0.44 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.85 3hkz n ARG 764 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 3hkz n THR 765 N 0.00 0.00 -3.74 8.89 -1.04 -1.26 -4.58 114.28 112.54 3hkz n THR 765 Ca 0.00 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.85 3hkz n THR 765 Cb 0.00 0.00 -0.16 0.00 -1.82 0.00 0.00 70.33 68.35 3hkz n THR 765 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hkz s LEU 766 N 0.00 0.76 0.00 -4.42 2.01 -1.26 -4.19 118.68 111.57 3hkz s LEU 766 Ca 0.00 0.13 0.04 0.00 0.01 0.00 0.00 54.13 54.30 3hkz s LEU 766 Cb 0.00 0.04 0.21 0.00 0.01 0.00 0.00 46.19 46.46 3hkz s LEU 766 CO 0.00 -0.16 0.74 -0.81 1.01 0.00 0.00 176.35 177.13 3hkz n PRO 767 N 4.46 0.10 0.00 1.29 -0.04 -1.26 -2.21 135.00 137.33 3hkz n PRO 767 Ca -0.22 0.04 0.14 0.00 -0.04 0.00 0.00 63.50 63.43 3hkz n PRO 767 Cb 0.50 -1.50 0.84 0.00 -0.04 0.00 0.00 33.50 33.30 3hkz n PRO 767 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3hkz n HIS 768 N -1.05 0.00 -4.43 0.54 8.25 -1.26 -4.82 115.22 112.45 3hkz n HIS 768 Ca 0.03 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.25 3hkz n HIS 768 Cb 0.02 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.01 3hkz n HIS 768 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3hkz s PHE 769 N -2.04 2.40 0.14 4.41 2.99 -0.94 -5.13 117.98 119.82 3hkz s PHE 769 Ca 0.42 -0.34 -0.28 0.00 0.00 0.00 0.00 56.93 56.73 3hkz s PHE 769 Cb 0.20 -1.11 -0.07 0.00 0.00 0.00 0.00 43.02 42.04 3hkz s PHE 769 CO 0.34 0.67 0.89 0.21 -0.00 0.00 0.00 175.22 177.33 3hkz s LYS 770 N -3.57 4.68 0.33 0.44 2.20 -1.26 -5.00 119.74 117.57 3hkz s LYS 770 Ca 0.31 1.35 -0.28 0.00 -0.36 0.00 0.00 55.97 56.99 3hkz s LYS 770 Cb -0.04 -3.33 -0.13 0.00 -1.51 0.00 0.00 37.83 32.82 3hkz s LYS 770 CO 0.16 0.35 1.23 -0.35 -0.36 0.00 0.00 175.35 176.39 3hkz n PRO 771 N 2.29 1.96 -3.08 4.03 -0.04 -1.26 -2.89 135.00 136.01 3hkz n PRO 771 Ca -0.01 0.69 -0.08 0.00 -0.04 0.00 0.00 63.50 64.06 3hkz n PRO 771 Cb 0.49 -2.22 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3hkz n PRO 771 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3hkz n TYR 772 N 0.33 -3.08 -3.99 0.54 4.02 -1.13 -5.03 117.16 108.83 3hkz n TYR 772 Ca 0.06 1.21 -0.31 0.00 -0.01 0.00 0.00 57.90 58.86 3hkz n TYR 772 Cb 0.35 -3.82 -0.16 0.00 -0.02 0.00 0.00 39.34 35.70 3hkz n TYR 772 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3hkz s ASP 773 N -2.74 3.65 0.00 7.72 2.15 -1.14 -4.99 116.67 121.32 3hkz s ASP 773 Ca 0.12 -1.03 0.22 0.00 0.43 0.00 0.00 52.55 52.29 3hkz s ASP 773 Cb -0.03 -1.25 0.39 0.00 -0.30 0.00 0.00 42.92 41.72 3hkz s ASP 773 CO 0.78 -0.18 1.35 -0.38 -0.17 0.00 0.00 175.17 176.58 3hkz n ILE 774 N 4.65 0.48 -0.97 4.11 5.41 -1.26 -4.68 119.36 127.09 3hkz n ILE 774 Ca -0.14 -0.74 -0.33 0.00 1.00 0.00 0.00 62.75 62.54 3hkz n ILE 774 Cb 0.45 1.00 0.13 0.00 -0.71 0.00 0.00 39.64 40.51 3hkz n ILE 774 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3hkz n SER 775 N 1.39 -0.17 -0.06 4.38 2.88 -1.26 -4.93 113.62 115.85 3hkz n SER 775 Ca 0.18 0.49 -0.08 0.00 -1.33 0.00 0.00 58.87 58.14 3hkz n SER 775 Cb 0.58 -1.39 -0.01 0.00 -0.75 0.00 0.00 64.21 62.64 3hkz n SER 775 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 3hkz h PRO 776 N -1.18 0.15 -0.76 -1.46 0.13 -1.95 -2.82 132.00 124.12 3hkz h PRO 776 Ca -0.45 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 64.70 3hkz h PRO 776 Cb 1.30 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.35 3hkz h PRO 776 CO 0.42 0.10 0.50 1.05 -0.23 0.00 0.00 178.00 179.84 3hkz h GLU 777 N 0.15 0.93 0.00 0.86 9.09 -1.82 -3.37 114.58 120.42 3hkz h GLU 777 Ca 0.12 -0.06 -0.41 0.00 0.05 0.00 0.00 59.36 59.06 3hkz h GLU 777 Cb 0.12 -0.21 0.18 0.00 -1.65 0.00 0.00 28.75 27.18 3hkz h GLU 777 CO -0.15 0.62 0.32 0.00 0.05 0.00 0.00 179.01 179.85 3hkz n ALA 778 N -2.42 -2.03 -0.82 1.06 0.00 -1.06 -4.14 120.51 111.10 3hkz n ALA 778 Ca 0.09 -1.65 -0.04 0.00 0.00 0.00 0.00 53.44 51.84 3hkz n ALA 778 Cb 0.09 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 3hkz n ALA 778 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hkz n ARG 779 N -4.03 -1.68 0.00 0.00 1.74 -1.26 -4.58 116.66 106.85 3hkz n ARG 779 Ca 0.16 0.39 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 3hkz n ARG 779 Cb 0.56 -4.17 0.00 0.00 -1.02 0.00 0.00 32.46 27.84 3hkz n ARG 779 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hkz n GLY 780 N 0.21 0.77 2.03 -0.13 0.00 -1.26 -0.77 105.19 106.05 3hkz n GLY 780 Ca -0.04 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.90 3hkz n GLY 780 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hkz n PHE 781 N 5.26 -2.85 -3.32 1.61 -0.00 -1.26 -4.37 117.46 112.53 3hkz n PHE 781 Ca 0.00 1.67 -0.38 0.00 -0.00 0.00 0.00 57.45 58.74 3hkz n PHE 781 Cb 0.00 -3.05 -0.06 0.00 -0.00 0.00 0.00 39.48 36.37 3hkz n PHE 781 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3hkz s ILE 782 N -0.39 5.18 -0.41 -2.13 1.09 -1.26 -4.64 121.20 118.64 3hkz s ILE 782 Ca -0.11 0.90 0.23 0.00 -1.10 0.00 0.00 60.65 60.57 3hkz s ILE 782 Cb 0.01 -3.80 0.11 0.00 -1.06 0.00 0.00 42.46 37.72 3hkz s ILE 782 CO 0.30 0.29 1.29 1.88 -0.10 0.00 0.00 174.94 178.60 3hkz h TYR 783 N 6.96 0.00 -4.04 3.97 -1.99 -1.96 -1.57 116.97 118.34 3hkz h TYR 783 Ca -0.39 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 59.88 3hkz h TYR 783 Cb 1.17 0.00 0.01 0.00 2.00 0.00 0.00 36.73 39.91 3hkz h TYR 783 CO 0.64 0.00 0.37 -1.12 -0.00 0.00 0.00 178.16 178.05 3hkz s SER 784 N -5.27 6.67 0.06 3.88 0.01 -1.26 -3.77 113.70 114.02 3hkz s SER 784 Ca 0.03 1.85 0.00 0.00 1.31 0.00 0.00 55.95 59.15 3hkz s SER 784 Cb 0.09 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.73 3hkz s SER 784 CO 0.73 -0.55 0.20 -0.94 0.41 0.00 0.00 173.24 173.10 3hkz s SER 785 N -1.97 6.29 0.17 2.44 1.04 -1.26 -2.16 113.70 118.26 3hkz s SER 785 Ca 0.63 0.25 0.07 0.00 0.48 0.00 0.00 55.95 57.38 3hkz s SER 785 Cb -0.15 -1.92 0.37 0.00 0.10 0.00 0.00 66.02 64.42 3hkz s SER 785 CO 0.19 0.17 1.05 0.49 0.98 0.00 0.00 173.24 176.12 3hkz n PHE 786 N 0.30 0.23 -0.05 5.02 3.01 -1.00 0.98 117.46 125.94 3hkz n PHE 786 Ca -0.05 0.12 -0.02 0.00 1.01 0.00 0.00 57.45 58.51 3hkz n PHE 786 Cb 0.51 -0.48 -0.01 0.00 -0.01 0.00 0.00 39.48 39.49 3hkz n PHE 786 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 3hkz h ARG 787 N 0.00 0.00 -0.69 -1.08 1.12 -1.84 -3.39 114.38 108.50 3hkz h ARG 787 Ca 0.00 0.00 0.22 0.00 -1.11 0.00 0.00 59.98 59.09 3hkz h ARG 787 Cb 0.53 0.00 -0.13 0.00 -0.01 0.00 0.00 29.97 30.37 3hkz h ARG 787 CO 0.00 0.00 0.11 2.41 -3.11 0.00 0.00 179.97 179.38 3hkz n THR 788 N -4.20 -0.29 0.00 0.20 -1.04 0.27 -4.83 114.28 104.39 3hkz n THR 788 Ca -0.03 1.49 0.00 0.00 -2.04 0.00 0.00 64.05 63.46 3hkz n THR 788 Cb 0.12 -2.23 0.00 0.00 -1.82 0.00 0.00 70.33 66.40 3hkz n THR 788 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hkz n GLY 789 N -1.30 1.46 3.70 3.41 0.00 0.10 -4.90 105.19 107.66 3hkz n GLY 789 Ca 0.19 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.64 3hkz n GLY 789 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hkz n LEU 790 N 0.00 3.59 -4.84 0.99 7.99 -1.26 -4.82 117.00 118.64 3hkz n LEU 790 Ca 0.00 1.12 -0.32 0.00 -0.01 0.00 0.00 56.01 56.80 3hkz n LEU 790 Cb 0.00 -1.50 -0.04 0.00 -0.11 0.00 0.00 43.42 41.77 3hkz n LEU 790 CO 0.00 -0.16 0.65 -0.54 -1.51 0.00 0.00 177.39 175.83 3hkz s LYS 791 N 0.12 3.98 0.56 3.23 1.02 -1.26 -4.76 119.74 122.63 3hkz s LYS 791 Ca 0.71 0.93 0.31 0.00 0.02 0.00 0.00 55.97 57.93 3hkz s LYS 791 Cb -0.59 -2.17 1.46 0.00 -0.52 0.00 0.00 37.83 36.01 3hkz s LYS 791 CO 0.44 -0.20 1.86 -1.35 -0.92 0.00 0.00 175.35 175.18 3hkz h PRO 792 N 1.15 0.00 0.06 -1.68 0.11 -2.00 0.16 132.00 129.79 3hkz h PRO 792 Ca -0.47 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.46 3hkz h PRO 792 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3hkz h PRO 792 CO 0.62 0.00 -0.92 1.15 -0.21 0.00 0.00 178.00 178.64 3hkz h THR 793 N 0.00 1.27 -0.57 -1.15 2.02 -2.00 -3.35 112.91 109.12 3hkz h THR 793 Ca 0.35 -2.34 0.11 0.00 0.77 0.00 0.00 66.41 65.30 3hkz h THR 793 Cb 1.59 2.83 -0.09 0.00 -1.74 0.00 0.00 68.15 70.74 3hkz h THR 793 CO -0.00 0.58 0.08 -0.33 0.37 0.00 0.00 175.52 176.21 3hkz h GLU 794 N -0.68 0.20 -0.47 6.66 5.08 -1.49 -0.23 114.58 123.64 3hkz h GLU 794 Ca -0.21 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.20 3hkz h GLU 794 Cb 1.42 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 3hkz h GLU 794 CO -0.02 0.13 0.32 1.25 -1.00 0.00 0.00 179.01 179.69 3hkz h LEU 795 N 0.20 0.31 -0.14 1.33 6.46 -0.94 0.47 115.31 123.01 3hkz h LEU 795 Ca 0.30 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.84 3hkz h LEU 795 Cb 0.45 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.30 3hkz h LEU 795 CO -0.42 0.20 -0.98 0.15 -0.62 0.00 0.00 178.44 176.77 3hkz h PHE 796 N 0.36 0.27 0.17 1.25 3.57 -1.23 -0.94 116.94 120.39 3hkz h PHE 796 Ca 0.21 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3hkz h PHE 796 Cb 0.36 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3hkz h PHE 796 CO -0.00 1.04 -0.08 0.74 -2.23 0.00 0.00 178.31 177.78 3hkz h PHE 797 N 0.08 -0.22 0.00 0.41 0.05 0.55 -2.14 116.94 115.67 3hkz h PHE 797 Ca -0.06 -0.01 -0.06 0.00 3.82 0.00 0.00 57.97 61.67 3hkz h PHE 797 Cb 1.66 0.07 -0.01 0.00 2.00 0.00 0.00 35.95 39.67 3hkz h PHE 797 CO 0.03 0.16 -0.27 1.25 -0.18 0.00 0.00 178.31 179.30 3hkz h HIS 798 N -0.66 0.00 -0.17 -0.55 2.76 -0.27 0.30 115.15 116.56 3hkz h HIS 798 Ca -0.02 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.01 3hkz h HIS 798 Cb 0.48 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.44 3hkz h HIS 798 CO 0.05 0.27 -0.41 0.00 -1.30 0.00 0.00 177.93 176.54 3hkz h ALA 799 N 1.73 0.28 0.00 5.26 0.00 -1.22 -2.56 119.26 122.75 3hkz h ALA 799 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 3hkz h ALA 799 Cb 0.55 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hkz h ALA 799 CO 0.04 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.62 3hkz h ALA 800 N 0.57 1.11 0.63 0.00 0.00 -0.67 -3.13 119.26 117.77 3hkz h ALA 800 Ca -0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3hkz h ALA 800 Cb 1.01 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hkz h ALA 800 CO 0.09 0.07 -0.30 0.78 0.00 0.00 0.00 179.25 179.89 3hkz h GLY 801 N 1.05 -0.89 -2.50 0.00 0.00 -0.15 -3.20 103.07 97.38 3hkz h GLY 801 Ca -0.00 0.33 -0.02 0.00 0.00 0.00 0.00 47.33 47.64 3hkz h GLY 801 CO 0.01 -0.32 0.03 0.61 0.00 0.00 0.00 176.54 176.86 3hkz n GLY 802 N -0.67 2.32 0.01 4.60 0.00 -0.99 -3.80 105.19 106.66 3hkz n GLY 802 Ca -0.11 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 45.96 3hkz n GLY 802 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hkz n ARG 803 N 0.88 0.21 -0.06 1.61 3.00 -1.20 -4.00 116.66 117.10 3hkz n ARG 803 Ca 0.02 -0.06 -0.12 0.00 -0.00 0.00 0.00 57.85 57.69 3hkz n ARG 803 Cb 0.52 -1.51 0.00 0.00 0.00 0.00 0.00 32.46 31.47 3hkz n ARG 803 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3hkz h GLU 804 N 0.00 0.80 -0.66 -0.14 5.08 -1.80 -3.36 114.58 114.50 3hkz h GLU 804 Ca 0.00 -0.47 0.02 0.00 -1.00 0.00 0.00 59.36 57.91 3hkz h GLU 804 Cb 0.66 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3hkz h GLU 804 CO 0.00 1.10 0.42 0.78 -1.00 0.00 0.00 179.01 180.31 3hkz h GLY 805 N 0.83 0.95 0.46 -3.84 0.00 -1.85 -1.95 103.07 97.67 3hkz h GLY 805 Ca 0.03 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3hkz h GLY 805 CO 0.11 0.28 0.00 1.04 0.00 0.00 0.00 176.54 177.97 3hkz n LEU 806 N -4.68 0.00 0.00 3.11 4.77 -1.26 -3.67 117.00 115.27 3hkz n LEU 806 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3hkz n LEU 806 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 3hkz n LEU 806 CO 0.34 0.00 -0.15 0.52 -1.33 0.00 0.00 177.39 176.77 3hkz n VAL 807 N -0.73 0.00 1.58 4.08 0.31 -0.80 -4.84 118.33 117.93 3hkz n VAL 807 Ca 0.03 0.00 0.08 0.00 -0.01 0.00 0.00 64.34 64.45 3hkz n VAL 807 Cb 0.01 -0.48 0.38 0.00 -0.91 0.00 0.00 33.84 32.84 3hkz n VAL 807 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hkz n ASP 808 N -2.24 0.84 -0.00 4.52 8.00 -0.81 -2.56 116.55 124.29 3hkz n ASP 808 Ca 0.00 -1.66 0.10 0.00 0.71 0.00 0.00 54.79 53.94 3hkz n ASP 808 Cb 0.15 -0.07 -0.13 0.00 -0.02 0.00 0.00 41.12 41.05 3hkz n ASP 808 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hkz n THR 809 N -0.19 0.00 -0.11 -3.53 -1.04 -1.25 -4.28 114.28 103.88 3hkz n THR 809 Ca 0.13 -0.09 -0.23 0.00 -2.04 0.00 0.00 64.05 61.82 3hkz n THR 809 Cb 0.18 0.83 -0.08 0.00 -1.82 0.00 0.00 70.33 69.45 3hkz n THR 809 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkz n ALA 810 N -1.62 1.47 0.76 2.41 0.00 -1.06 -4.60 120.51 117.87 3hkz n ALA 810 Ca 0.03 -0.90 0.12 0.00 0.00 0.00 0.00 53.44 52.69 3hkz n ALA 810 Cb 0.36 0.18 0.21 0.00 0.00 0.00 0.00 19.45 20.21 3hkz n ALA 810 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hkz n VAL 811 N -4.07 0.18 -0.06 0.00 0.31 -1.09 -3.90 118.33 109.70 3hkz n VAL 811 Ca -0.42 -0.15 -0.15 0.00 -0.01 0.00 0.00 64.34 63.61 3hkz n VAL 811 Cb 0.78 0.03 -0.04 0.00 -0.91 0.00 0.00 33.84 33.70 3hkz n VAL 811 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3hkz h ARG 812 N 0.00 0.83 -0.93 5.55 2.47 -1.81 -3.30 114.38 117.19 3hkz h ARG 812 Ca 0.00 -0.55 0.16 0.00 -1.26 0.00 0.00 59.98 58.32 3hkz h ARG 812 Cb 0.63 0.08 -0.10 0.00 -1.65 0.00 0.00 29.97 28.93 3hkz h ARG 812 CO 0.00 1.18 0.53 1.15 0.56 0.00 0.00 179.97 183.39 3hkz h THR 813 N 0.62 0.75 -0.08 2.04 2.02 -1.81 -2.32 112.91 114.13 3hkz h THR 813 Ca 0.00 -0.25 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3hkz h THR 813 Cb 1.20 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3hkz h THR 813 CO 0.13 0.13 0.35 0.77 0.37 0.00 0.00 175.52 177.27 3hkz h SER 814 N 0.73 0.00 0.00 4.18 4.64 -1.78 0.16 113.55 121.48 3hkz h SER 814 Ca 0.51 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.46 3hkz h SER 814 Cb 0.72 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.74 3hkz h SER 814 CO -0.36 0.00 -2.41 0.00 -0.87 0.00 0.00 176.83 173.19 3hkz n GLN 815 N -3.07 0.69 -0.12 4.77 6.02 -0.88 -3.49 117.38 121.29 3hkz n GLN 815 Ca -0.00 0.07 -0.09 0.00 -0.01 0.00 0.00 57.00 56.97 3hkz n GLN 815 Cb 0.42 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 3hkz n GLN 815 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3hkz h SER 816 N 0.00 0.49 0.54 1.08 0.87 -0.83 -0.40 113.55 115.29 3hkz h SER 816 Ca -0.56 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 59.84 3hkz h SER 816 Cb 2.05 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 3hkz h SER 816 CO -0.03 0.53 0.00 0.61 -0.53 0.00 0.00 176.83 177.40 3hkz n GLY 817 N -0.75 -1.24 0.11 5.77 0.00 0.36 -2.09 105.19 107.34 3hkz n GLY 817 Ca -0.01 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 45.95 3hkz n GLY 817 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hkz h TYR 818 N 0.00 0.00 0.04 1.61 3.20 -1.42 -3.20 116.97 117.19 3hkz h TYR 818 Ca 0.00 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3hkz h TYR 818 Cb 0.27 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.54 3hkz h TYR 818 CO 0.00 0.17 -0.25 1.98 -1.64 0.00 0.00 178.16 178.42 3hkz h MET 819 N 0.00 0.11 0.21 1.82 4.05 -0.83 -3.02 114.93 117.27 3hkz h MET 819 Ca -0.05 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.21 3hkz h MET 819 Cb 1.17 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 3hkz h MET 819 CO 0.01 1.04 -0.27 0.37 0.23 0.00 0.00 176.91 178.30 3hkz h GLN 820 N -0.74 -0.47 -1.18 0.39 4.15 -1.58 -1.17 115.11 114.50 3hkz h GLN 820 Ca -0.04 0.03 0.40 0.00 0.77 0.00 0.00 58.65 59.81 3hkz h GLN 820 Cb 1.15 0.11 -0.11 0.00 0.21 0.00 0.00 27.48 28.84 3hkz h GLN 820 CO 0.05 -0.31 0.77 -2.13 -1.93 0.00 0.00 178.83 175.28 3hkz n ARG 821 N -3.96 -0.03 0.05 1.69 3.00 -1.21 0.39 116.66 116.59 3hkz n ARG 821 Ca -0.06 1.01 -0.12 0.00 -0.00 0.00 0.00 57.85 58.68 3hkz n ARG 821 Cb 0.23 -2.02 -0.09 0.00 0.00 0.00 0.00 32.46 30.59 3hkz n ARG 821 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3hkz h ARG 822 N 0.00 -0.16 0.12 -0.14 3.08 -1.10 -3.03 114.38 113.14 3hkz h ARG 822 Ca 0.72 0.01 -0.27 0.00 0.07 0.00 0.00 59.98 60.52 3hkz h ARG 822 Cb 2.40 0.04 0.00 0.00 0.08 0.00 0.00 29.97 32.49 3hkz h ARG 822 CO -0.34 0.28 -1.21 1.37 -1.07 0.00 0.00 179.97 179.00 3hkz h LEU 823 N -0.69 0.41 -0.90 3.04 8.10 -0.33 -2.84 115.31 122.11 3hkz h LEU 823 Ca -0.02 -0.43 0.13 0.00 0.11 0.00 0.00 57.88 57.67 3hkz h LEU 823 Cb 0.52 -0.13 -0.14 0.00 -0.44 0.00 0.00 40.66 40.47 3hkz h LEU 823 CO 0.03 1.33 -0.39 -0.38 -4.11 0.00 0.00 178.44 174.92 3hkz n ILE 824 N -3.54 -0.50 0.00 0.15 2.08 0.16 -0.34 119.36 117.38 3hkz n ILE 824 Ca -0.08 2.12 0.00 0.00 0.56 0.00 0.00 62.75 65.35 3hkz n ILE 824 Cb 1.01 -2.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.14 3hkz n ILE 824 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3hkz n ASN 825 N -5.28 0.00 0.00 4.38 3.02 -1.14 -3.92 115.26 112.32 3hkz n ASN 825 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3hkz n ASN 825 Cb 0.33 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.50 3hkz n ASN 825 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hkz n ALA 826 N -3.00 0.00 -3.22 5.41 0.00 -1.08 -1.64 120.51 116.97 3hkz n ALA 826 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 3hkz n ALA 826 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hkz n ALA 826 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3hkz n LEU 827 N -0.33 5.58 0.09 0.00 7.94 0.54 -4.58 117.00 126.25 3hkz n LEU 827 Ca 0.00 -4.95 0.00 0.00 -1.11 0.00 0.00 56.01 49.95 3hkz n LEU 827 Cb 0.00 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 42.46 3hkz n LEU 827 CO 0.00 1.28 0.00 -1.54 -1.11 0.00 0.00 177.39 176.02 3hkz n SER 828 N 3.08 -0.66 -0.26 1.96 3.41 -0.65 -4.62 113.62 115.87 3hkz n SER 828 Ca 0.27 0.33 0.00 0.00 -0.26 0.00 0.00 58.87 59.21 3hkz n SER 828 Cb 0.39 0.77 0.00 0.00 -0.26 0.00 0.00 64.21 65.11 3hkz n SER 828 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hkz n ASP 829 N -3.04 0.00 -4.39 4.04 8.00 -1.26 -4.59 116.55 115.31 3hkz n ASP 829 Ca 0.00 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.10 3hkz n ASP 829 Cb 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 40.99 3hkz n ASP 829 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3hkz s LEU 830 N -0.34 4.61 0.45 0.64 1.43 -1.26 -4.10 118.68 120.11 3hkz s LEU 830 Ca 0.00 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 52.28 3hkz s LEU 830 Cb 0.00 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.21 3hkz s LEU 830 CO 0.00 -0.35 0.51 0.00 0.23 0.00 0.00 176.35 176.74 3hkz s ARG 831 N 1.57 2.59 -0.49 1.70 1.70 -0.86 -4.95 118.95 120.21 3hkz s ARG 831 Ca 0.03 -1.48 -0.10 0.00 -0.47 0.00 0.00 55.73 53.70 3hkz s ARG 831 Cb -0.19 -2.53 0.12 0.00 -0.57 0.00 0.00 34.95 31.78 3hkz s ARG 831 CO 0.07 -0.35 0.37 0.00 -1.08 0.00 0.00 175.30 174.30 3hkz s ALA 832 N -2.48 3.43 0.99 7.88 0.00 -1.26 -2.42 121.76 127.90 3hkz s ALA 832 Ca 0.51 -2.56 -0.11 0.00 0.00 0.00 0.00 51.96 49.80 3hkz s ALA 832 Cb -0.06 -2.87 0.16 0.00 0.00 0.00 0.00 23.12 20.35 3hkz s ALA 832 CO 0.31 -1.93 0.97 0.39 0.00 0.00 0.00 175.76 175.51 3hkz n GLU 833 N 4.91 -0.94 0.22 0.00 -0.58 -0.74 -4.85 120.64 118.65 3hkz n GLU 833 Ca -0.08 -0.22 0.07 0.00 -0.42 0.00 0.00 57.16 56.51 3hkz n GLU 833 Cb 0.41 -2.24 0.49 0.00 -0.57 0.00 0.00 31.44 29.53 3hkz n GLU 833 CO 0.00 0.00 0.00 1.88 -0.48 0.00 0.00 177.13 178.53 3hkz h TYR 834 N -2.04 0.00 -0.38 -0.32 0.05 -1.98 -1.51 116.97 110.78 3hkz h TYR 834 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3hkz h TYR 834 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 3hkz h TYR 834 CO 0.42 0.27 0.00 -0.40 -1.05 0.00 0.00 178.16 177.39 3hkz n ASP 835 N -3.87 3.11 -0.21 3.88 5.75 -1.26 -4.91 116.55 119.04 3hkz n ASP 835 Ca -0.02 -2.30 -0.03 0.00 -0.01 0.00 0.00 54.79 52.44 3hkz n ASP 835 Cb 0.35 -0.46 -0.01 0.00 -1.03 0.00 0.00 41.12 39.96 3hkz n ASP 835 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hkz n GLY 836 N 0.74 0.58 3.11 6.12 0.00 -0.57 -5.03 105.19 110.14 3hkz n GLY 836 Ca 0.15 -0.96 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 3hkz n GLY 836 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3hkz n THR 837 N -2.94 0.00 -3.76 2.61 -1.04 -1.24 -2.38 114.28 105.53 3hkz n THR 837 Ca -0.03 -1.39 -0.29 0.00 -2.04 0.00 0.00 64.05 60.30 3hkz n THR 837 Cb 0.09 -0.82 -0.15 0.00 -1.82 0.00 0.00 70.33 67.63 3hkz n THR 837 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3hkz s VAL 838 N -2.17 0.88 0.27 12.58 1.01 -0.68 -1.79 120.40 130.51 3hkz s VAL 838 Ca 0.51 -1.16 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3hkz s VAL 838 Cb -0.03 -1.52 -0.06 0.00 0.00 0.00 0.00 36.38 34.77 3hkz s VAL 838 CO 0.33 -0.48 0.06 -0.13 0.00 0.00 0.00 175.10 174.89 3hkz s ARG 839 N 1.65 1.47 0.00 2.72 0.52 -1.02 -0.74 118.95 123.55 3hkz s ARG 839 Ca 0.05 -1.79 0.00 0.00 -0.52 0.00 0.00 55.73 53.47 3hkz s ARG 839 Cb -0.17 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.77 3hkz s ARG 839 CO -0.18 -0.22 0.00 -1.13 0.02 0.00 0.00 175.30 173.79 3hkz n SER 840 N -0.53 0.00 -0.41 0.23 3.41 -1.24 -2.02 113.62 113.06 3hkz n SER 840 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3hkz n SER 840 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3hkz n SER 840 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3hkz n LEU 841 N 0.00 0.00 0.00 1.04 4.77 -1.26 -4.52 117.00 117.03 3hkz n LEU 841 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3hkz n LEU 841 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3hkz n LEU 841 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3hkz n TYR 842 N 0.00 0.00 0.00 -1.77 9.36 -1.26 -3.82 117.16 119.67 3hkz n TYR 842 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 3hkz n TYR 842 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 3hkz n TYR 842 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3hkz n GLY 843 N 0.00 1.56 3.67 2.98 0.00 -1.26 -5.09 105.19 107.05 3hkz n GLY 843 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3hkz n GLY 843 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkz s GLU 844 N -0.09 4.19 -0.04 1.61 2.02 -1.25 -4.80 118.70 120.35 3hkz s GLU 844 Ca 0.00 2.18 -0.30 0.00 0.02 0.00 0.00 54.97 56.87 3hkz s GLU 844 Cb 0.00 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 30.29 3hkz s GLU 844 CO 0.00 -0.81 1.25 0.08 0.02 0.00 0.00 175.26 175.80 3hkz s VAL 845 N 3.71 4.11 -0.19 2.63 1.01 -1.26 -3.73 120.40 126.67 3hkz s VAL 845 Ca 0.72 1.45 -0.14 0.00 0.00 0.00 0.00 61.98 64.02 3hkz s VAL 845 Cb -0.34 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 3hkz s VAL 845 CO 0.29 0.00 -0.30 0.52 0.00 0.00 0.00 175.10 175.61 3hkz n VAL 846 N 4.59 1.39 -4.61 2.92 0.31 0.08 -4.92 118.33 118.08 3hkz n VAL 846 Ca 0.11 -0.08 -0.30 0.00 -0.01 0.00 0.00 64.34 64.06 3hkz n VAL 846 Cb 0.46 -2.03 -0.17 0.00 -0.91 0.00 0.00 33.84 31.19 3hkz n VAL 846 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3hkz s GLN 847 N -2.61 2.52 0.02 5.55 -0.21 -1.24 -4.98 119.66 118.71 3hkz s GLN 847 Ca -0.29 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.32 3hkz s GLN 847 Cb 0.08 -2.07 -0.05 0.00 1.00 0.00 0.00 33.01 31.98 3hkz s GLN 847 CO 0.40 -0.02 1.14 0.28 -2.12 0.00 0.00 175.29 174.97 3hkz h VAL 848 N 5.89 0.00 -3.52 1.09 2.07 -1.91 -1.80 116.25 118.07 3hkz h VAL 848 Ca -0.30 0.00 -0.61 0.00 0.82 0.00 0.00 66.70 66.61 3hkz h VAL 848 Cb 1.19 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.82 3hkz h VAL 848 CO 0.51 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.69 3hkz s ALA 849 N -3.86 3.60 0.27 1.67 0.00 -1.26 -3.63 121.76 118.55 3hkz s ALA 849 Ca -0.05 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 3hkz s ALA 849 Cb 0.01 -2.42 -0.10 0.00 0.00 0.00 0.00 23.12 20.61 3hkz s ALA 849 CO 0.15 -0.20 1.39 -0.47 0.00 0.00 0.00 175.76 176.64 3hkz s TYR 850 N 1.08 3.03 0.00 0.00 5.04 -1.00 -3.54 117.35 121.96 3hkz s TYR 850 Ca 0.11 1.16 0.00 0.00 -2.44 0.00 0.00 57.07 55.90 3hkz s TYR 850 Cb -0.14 -3.77 0.00 0.00 0.35 0.00 0.00 41.96 38.40 3hkz s TYR 850 CO 0.05 -2.38 0.00 0.41 -1.34 0.00 0.00 175.55 172.29 3hkz n GLY 851 N 1.74 -0.21 4.99 8.97 0.00 -1.26 -1.45 105.19 117.97 3hkz n GLY 851 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3hkz n GLY 851 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hkz n ASP 852 N -0.05 0.00 -0.08 1.61 8.00 -1.23 -4.46 116.55 120.34 3hkz n ASP 852 Ca 0.00 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.43 3hkz n ASP 852 Cb 0.21 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 40.74 3hkz n ASP 852 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3hkz n ASP 853 N 0.00 1.78 0.00 -2.24 8.00 -0.84 -4.99 116.55 118.26 3hkz n ASP 853 Ca 0.00 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.92 3hkz n ASP 853 Cb 0.00 -0.77 0.00 0.00 -0.02 0.00 0.00 41.12 40.33 3hkz n ASP 853 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hkz n GLY 854 N 1.52 0.80 3.61 0.44 0.00 -0.53 -4.91 105.19 106.11 3hkz n GLY 854 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 3hkz n GLY 854 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkz s VAL 855 N -2.00 4.58 0.02 1.61 1.01 -1.26 -5.02 120.40 119.35 3hkz s VAL 855 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.90 3hkz s VAL 855 Cb 0.00 -4.34 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 3hkz s VAL 855 CO 0.00 -0.53 1.04 0.12 0.00 0.00 0.00 175.10 175.73 3hkz s PHE 856 N 3.48 3.61 0.58 5.22 2.19 -1.26 -4.89 117.98 126.91 3hkz s PHE 856 Ca 0.38 1.60 0.28 0.00 0.33 0.00 0.00 56.93 59.52 3hkz s PHE 856 Cb -0.12 -3.20 1.58 0.00 -1.31 0.00 0.00 43.02 39.97 3hkz s PHE 856 CO 0.18 -0.35 2.05 -1.35 1.83 0.00 0.00 175.22 177.58 3hkz h PRO 857 N 6.72 0.00 -0.25 10.12 0.11 -1.93 -2.27 132.00 144.50 3hkz h PRO 857 Ca -0.41 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.62 3hkz h PRO 857 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 3hkz h PRO 857 CO 0.76 0.00 -0.17 1.98 -0.21 0.00 0.00 178.00 180.37 3hkz h MET 858 N 0.00 0.43 -0.09 1.05 4.05 -1.82 -2.92 114.93 115.63 3hkz h MET 858 Ca 0.13 -0.13 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3hkz h MET 858 Cb 0.66 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.42 3hkz h MET 858 CO -0.00 0.59 0.00 0.66 0.23 0.00 0.00 176.91 178.39 3hkz n TYR 859 N -4.19 0.11 -2.72 1.39 4.02 -0.85 -4.86 117.16 110.06 3hkz n TYR 859 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 3hkz n TYR 859 Cb 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 3hkz n TYR 859 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3hkz n SER 860 N 0.05 0.97 0.00 7.72 3.41 -1.10 -5.06 113.62 119.61 3hkz n SER 860 Ca 0.17 -0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 3hkz n SER 860 Cb 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 3hkz n SER 860 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkz n ALA 861 N -3.00 0.00 0.00 7.33 0.00 -1.26 -4.84 120.51 118.74 3hkz n ALA 861 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 3hkz n ALA 861 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3hkz n ALA 861 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hkz n HIS 862 N -2.03 0.00 -4.06 0.00 -0.00 -1.26 -4.56 115.22 103.31 3hkz n HIS 862 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.72 57.65 3hkz n HIS 862 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 29.96 3hkz n HIS 862 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3hkz n GLY 863 N 0.80 3.51 1.41 -1.41 0.00 -1.26 -4.97 105.19 103.28 3hkz n GLY 863 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3hkz n GLY 863 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3hkz n LYS 864 N -0.23 0.35 0.00 1.61 2.85 -1.26 -4.41 118.16 117.07 3hkz n LYS 864 Ca 0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 3hkz n LYS 864 Cb 0.23 -1.32 0.00 0.00 -0.65 0.00 0.00 35.03 33.28 3hkz n LYS 864 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 3hkz n THR 865 N 1.32 0.00 -2.14 0.58 -1.04 -1.26 -5.00 114.28 106.74 3hkz n THR 865 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 3hkz n THR 865 Cb 0.18 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.64 3hkz n THR 865 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3hkz n VAL 866 N 0.00 2.44 -0.16 12.58 0.31 -1.26 -4.79 118.33 127.45 3hkz n VAL 866 Ca 0.00 -2.52 0.05 0.00 -0.01 0.00 0.00 64.34 61.86 3hkz n VAL 866 Cb 0.00 -2.23 0.10 0.00 -0.91 0.00 0.00 33.84 30.80 3hkz n VAL 866 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3hkz n ASP 867 N 12.46 -0.11 -0.09 4.52 8.00 -1.26 0.10 116.55 140.17 3hkz n ASP 867 Ca 0.46 0.79 -0.13 0.00 0.71 0.00 0.00 54.79 56.62 3hkz n ASP 867 Cb 0.46 -0.26 -0.05 0.00 -0.02 0.00 0.00 41.12 41.25 3hkz n ASP 867 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3hkz h VAL 868 N 0.00 1.31 -0.40 2.53 2.07 -2.02 -3.06 116.25 116.67 3hkz h VAL 868 Ca 0.25 -1.40 0.06 0.00 0.82 0.00 0.00 66.70 66.44 3hkz h VAL 868 Cb 0.47 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.80 3hkz h VAL 868 CO -0.45 0.44 0.07 -1.13 0.02 0.00 0.00 177.57 176.52 3hkz h ASN 869 N 0.36 -0.01 -0.90 0.57 -1.24 0.28 -2.65 115.58 111.98 3hkz h ASN 869 Ca 0.04 0.07 0.21 0.00 0.71 0.00 0.00 56.30 57.34 3hkz h ASN 869 Cb 0.80 0.10 -0.12 0.00 0.73 0.00 0.00 38.32 39.83 3hkz h ASN 869 CO 0.06 0.03 0.42 0.03 -1.29 0.00 0.00 177.43 176.68 3hkz h ARG 870 N 0.20 0.43 -0.46 6.67 3.08 -1.28 0.27 114.38 123.29 3hkz h ARG 870 Ca 0.20 -0.03 -0.08 0.00 0.07 0.00 0.00 59.98 60.14 3hkz h ARG 870 Cb 0.24 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3hkz h ARG 870 CO -0.26 0.28 -0.04 0.97 -1.07 0.00 0.00 179.97 179.85 3hkz h ILE 871 N 0.44 1.25 -0.98 2.04 2.10 -1.50 -3.13 117.51 117.73 3hkz h ILE 871 Ca 0.56 -1.06 0.07 0.00 1.08 0.00 0.00 64.86 65.51 3hkz h ILE 871 Cb 1.03 0.94 -0.07 0.00 -1.09 0.00 0.00 36.82 37.63 3hkz h ILE 871 CO -0.51 0.37 0.63 -0.26 -1.08 0.00 0.00 178.15 177.30 3hkz h PHE 872 N 0.72 1.16 -0.21 2.19 -1.00 -0.23 0.13 116.94 119.70 3hkz h PHE 872 Ca 0.13 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.85 3hkz h PHE 872 Cb 0.50 -0.38 -0.00 0.00 3.61 0.00 0.00 35.95 39.68 3hkz h PHE 872 CO 0.03 0.58 -0.24 0.93 -1.61 0.00 0.00 178.31 177.99 3hkz h GLU 873 N 1.12 0.53 0.01 1.51 5.08 -1.52 -3.32 114.58 117.99 3hkz h GLU 873 Ca 0.43 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3hkz h GLU 873 Cb 0.22 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3hkz h GLU 873 CO -0.19 0.88 -0.01 0.00 -1.00 0.00 0.00 179.01 178.70 3hkz h ARG 874 N 0.20 -0.01 0.00 2.33 2.47 -1.30 -3.45 114.38 114.62 3hkz h ARG 874 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3hkz h ARG 874 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 3hkz h ARG 874 CO 0.06 0.69 0.00 0.28 0.56 0.00 0.00 179.97 181.56 3hkz n VAL 875 N -4.75 0.00 0.00 2.04 0.31 0.37 -4.86 118.33 111.44 3hkz n VAL 875 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3hkz n VAL 875 Cb 0.35 -0.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.98 3hkz n VAL 875 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3hkz n VAL 876 N -0.03 0.00 0.29 2.52 0.31 -1.19 -0.85 118.33 119.38 3hkz n VAL 876 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 64.34 64.43 3hkz n VAL 876 Cb 0.00 0.00 0.56 0.00 -0.91 0.00 0.00 33.84 33.49 3hkz n VAL 876 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 3hkz h GLY 877 N 0.00 0.00 -7.49 2.92 0.00 -1.87 -2.71 103.07 93.91 3hkz h GLY 877 Ca 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 47.33 46.56 3hkz h GLY 877 CO 0.00 0.00 0.30 -0.98 0.00 0.00 0.00 176.54 175.86 3hkz s TRP 878 N -3.87 4.18 0.00 5.60 0.51 -0.03 -4.91 118.94 120.42 3hkz s TRP 878 Ca -0.02 -2.79 0.00 0.00 -2.12 0.00 0.00 56.10 51.16 3hkz s TRP 878 Cb 0.06 -3.68 0.00 0.00 -0.81 0.00 0.00 33.47 29.04 3hkz s TRP 878 CO 0.19 -0.89 0.00 1.63 -0.51 0.00 0.00 176.95 177.36