#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkz s TYR 2 N 0.00 3.44 -0.22 2.03 1.51 -1.26 -2.13 117.35 120.72 3hkz s TYR 2 Ca 0.00 0.79 -0.14 0.00 -1.01 0.00 0.00 57.07 56.71 3hkz s TYR 2 Cb 0.00 -2.19 0.06 0.00 -0.11 0.00 0.00 41.96 39.72 3hkz s TYR 2 CO 0.00 0.32 0.54 -1.59 -1.11 0.00 0.00 175.55 173.71 3hkz s LYS 3 N -2.76 0.57 -0.23 -0.62 -2.85 0.22 -4.97 119.74 109.11 3hkz s LYS 3 Ca 0.45 0.93 -0.22 0.00 -1.00 0.00 0.00 55.97 56.13 3hkz s LYS 3 Cb -0.11 0.13 -0.02 0.00 -2.06 0.00 0.00 37.83 35.77 3hkz s LYS 3 CO 0.22 -0.13 0.72 -1.17 0.10 0.00 0.00 175.35 175.09 3hkz s LEU 4 N 1.16 4.10 -0.21 2.77 0.20 -1.26 0.75 118.68 126.19 3hkz s LEU 4 Ca -0.07 0.90 -0.03 0.00 0.69 0.00 0.00 54.13 55.62 3hkz s LEU 4 Cb -0.06 -3.02 -0.00 0.00 -0.43 0.00 0.00 46.19 42.68 3hkz s LEU 4 CO -0.11 -0.40 -0.07 -0.63 -0.29 0.00 0.00 176.35 174.84 3hkz s ILE 5 N 2.45 3.08 -0.08 6.68 1.09 0.59 -4.90 121.20 130.10 3hkz s ILE 5 Ca 0.31 -0.62 -0.23 0.00 -1.10 0.00 0.00 60.65 59.01 3hkz s ILE 5 Cb -0.16 -2.40 -0.03 0.00 -1.06 0.00 0.00 42.46 38.81 3hkz s ILE 5 CO 0.09 0.43 0.70 -0.54 -0.10 0.00 0.00 174.94 175.52 3hkz s LYS 6 N 1.43 4.41 0.09 2.79 1.02 -1.26 0.16 119.74 128.37 3hkz s LYS 6 Ca 0.05 0.86 -0.02 0.00 0.02 0.00 0.00 55.97 56.89 3hkz s LYS 6 Cb -0.14 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3hkz s LYS 6 CO -0.05 0.02 0.03 0.00 -0.92 0.00 0.00 175.35 174.43 3hkz s ALA 7 N 0.98 0.54 -0.07 5.17 0.00 0.32 -4.99 121.76 123.71 3hkz s ALA 7 Ca 0.37 -1.23 0.01 0.00 0.00 0.00 0.00 51.96 51.11 3hkz s ALA 7 Cb -0.17 0.52 0.02 0.00 0.00 0.00 0.00 23.12 23.49 3hkz s ALA 7 CO 0.17 -0.44 -0.09 1.03 0.00 0.00 0.00 175.76 176.44 3hkz s ARG 8 N -3.96 1.37 -0.03 0.00 0.52 -1.26 -1.94 118.95 113.65 3hkz s ARG 8 Ca 0.13 -0.27 -0.06 0.00 -0.52 0.00 0.00 55.73 55.01 3hkz s ARG 8 Cb 0.07 -1.26 0.01 0.00 0.52 0.00 0.00 34.95 34.29 3hkz s ARG 8 CO -0.06 -0.07 0.14 0.45 0.02 0.00 0.00 175.30 175.78 3hkz s SER 9 N 0.98 -0.06 -1.11 0.23 0.15 -0.48 -4.95 113.70 108.46 3hkz s SER 9 Ca -0.09 0.05 -0.12 0.00 0.70 0.00 0.00 55.95 56.49 3hkz s SER 9 Cb -0.15 0.26 0.23 0.00 -1.71 0.00 0.00 66.02 64.65 3hkz s SER 9 CO 0.00 -0.20 1.19 -0.63 1.20 0.00 0.00 173.24 174.80 3hkz s ILE 10 N -0.63 5.55 0.19 6.45 1.09 -1.26 -0.02 121.20 132.57 3hkz s ILE 10 Ca -0.07 -2.94 0.05 0.00 -1.10 0.00 0.00 60.65 56.58 3hkz s ILE 10 Cb -0.04 -4.71 -0.04 0.00 -1.06 0.00 0.00 42.46 36.61 3hkz s ILE 10 CO 0.01 -1.34 0.20 -0.69 -0.10 0.00 0.00 174.94 173.02 3hkz s VAL 11 N 0.10 4.73 0.05 2.92 1.01 -1.11 -4.81 120.40 123.29 3hkz s VAL 11 Ca 0.34 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.08 3hkz s VAL 11 Cb -0.07 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 3hkz s VAL 11 CO -0.05 -0.19 0.49 -0.60 0.00 0.00 0.00 175.10 174.75 3hkz s ARG 12 N -3.40 4.05 -0.35 2.72 3.52 -1.26 -2.72 118.95 121.51 3hkz s ARG 12 Ca 0.32 0.56 -0.08 0.00 -0.13 0.00 0.00 55.73 56.41 3hkz s ARG 12 Cb -0.10 -3.20 0.04 0.00 -1.56 0.00 0.00 34.95 30.13 3hkz s ARG 12 CO 0.25 0.65 0.13 0.42 -0.81 0.00 0.00 175.30 175.94 3hkz s ILE 13 N -1.14 4.00 0.53 4.11 1.01 -0.74 -4.96 121.20 124.01 3hkz s ILE 13 Ca 0.28 -1.06 -0.20 0.00 0.00 0.00 0.00 60.65 59.66 3hkz s ILE 13 Cb -0.18 -3.26 -0.07 0.00 0.01 0.00 0.00 42.46 38.97 3hkz s ILE 13 CO 0.17 -0.20 1.11 -2.84 0.00 0.00 0.00 174.94 173.18 3hkz s PRO 14 N 1.44 3.47 0.24 2.79 0.02 -1.26 -3.05 135.00 138.65 3hkz s PRO 14 Ca -0.01 1.56 -0.05 0.00 0.02 0.00 0.00 61.00 62.53 3hkz s PRO 14 Cb -0.19 -2.04 0.38 0.00 0.02 0.00 0.00 34.50 32.66 3hkz s PRO 14 CO 0.04 -0.74 1.82 -1.35 -0.33 0.00 0.00 177.00 176.44 3hkz h PRO 15 N 1.31 0.83 -0.26 5.54 0.11 -1.91 0.06 132.00 137.68 3hkz h PRO 15 Ca -0.50 -0.05 0.08 0.00 0.11 0.00 0.00 66.00 65.64 3hkz h PRO 15 Cb 1.25 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3hkz h PRO 15 CO 0.57 0.55 0.03 0.09 -0.21 0.00 0.00 178.00 179.03 3hkz n ASN 16 N -4.70 -0.00 -3.03 -2.05 4.13 -1.26 -1.14 115.26 107.21 3hkz n ASN 16 Ca 0.13 0.44 -0.32 0.00 1.68 0.00 0.00 54.58 56.51 3hkz n ASN 16 Cb 0.24 -0.17 -0.01 0.00 -1.54 0.00 0.00 39.78 38.30 3hkz n ASN 16 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hkz n GLU 17 N -4.02 3.78 -0.09 3.52 1.02 0.01 -4.77 120.64 120.09 3hkz n GLU 17 Ca 0.07 -4.64 -0.16 0.00 -0.02 0.00 0.00 57.16 52.40 3hkz n GLU 17 Cb 0.23 -2.30 -0.08 0.00 -0.02 0.00 0.00 31.44 29.26 3hkz n GLU 17 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 3hkz h PHE 18 N 3.21 0.00 -0.64 -0.32 -1.00 -1.29 -3.37 116.94 113.54 3hkz h PHE 18 Ca 0.30 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.06 3hkz h PHE 18 Cb 0.49 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 3hkz h PHE 18 CO 0.99 1.03 0.32 0.78 -1.61 0.00 0.00 178.31 179.82 3hkz h GLY 19 N -1.00 0.97 -5.06 -1.45 0.00 -1.86 -3.45 103.07 91.22 3hkz h GLY 19 Ca -0.24 -0.47 -0.63 0.00 0.00 0.00 0.00 47.33 45.99 3hkz h GLY 19 CO -0.14 0.44 0.47 0.28 0.00 0.00 0.00 176.54 177.59 3hkz n LYS 20 N -4.51 1.49 -1.33 4.80 5.02 -1.26 -4.88 118.16 117.49 3hkz n LYS 20 Ca 0.04 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 3hkz n LYS 20 Cb 0.11 -2.15 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 3hkz n LYS 20 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hkz n PRO 21 N 2.29 0.13 -0.04 1.97 -0.01 -1.26 -4.92 135.00 133.15 3hkz n PRO 21 Ca 0.16 0.05 -0.15 0.00 -0.01 0.00 0.00 63.50 63.54 3hkz n PRO 21 Cb 0.25 -1.12 -0.08 0.00 -0.01 0.00 0.00 33.50 32.54 3hkz n PRO 21 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 3hkz h LEU 22 N 0.39 0.57 -0.40 2.45 4.07 -1.94 -3.24 115.31 117.21 3hkz h LEU 22 Ca -0.38 -0.61 -0.17 0.00 0.08 0.00 0.00 57.88 56.80 3hkz h LEU 22 Cb 1.44 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 42.99 3hkz h LEU 22 CO 0.47 1.08 -0.80 0.78 -1.08 0.00 0.00 178.44 178.89 3hkz h ASN 23 N 0.10 0.03 0.23 -0.43 2.35 -1.92 -2.50 115.58 113.43 3hkz h ASN 23 Ca -0.02 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 3hkz h ASN 23 Cb 1.03 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.39 3hkz h ASN 23 CO 0.09 0.81 -0.11 -0.33 -1.65 0.00 0.00 177.43 176.24 3hkz h GLU 24 N 0.01 -0.29 -1.09 0.81 5.08 -1.92 -3.15 114.58 114.02 3hkz h GLU 24 Ca -0.01 0.02 0.30 0.00 -1.00 0.00 0.00 59.36 58.67 3hkz h GLU 24 Cb 1.41 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 30.65 3hkz h GLU 24 CO 0.11 -0.19 0.73 0.82 -1.00 0.00 0.00 179.01 179.47 3hkz h ILE 25 N -0.33 0.47 -0.96 3.13 5.03 -1.62 0.48 117.51 123.71 3hkz h ILE 25 Ca -0.03 -0.08 0.05 0.00 -0.12 0.00 0.00 64.86 64.68 3hkz h ILE 25 Cb 0.23 0.20 -0.06 0.00 -3.03 0.00 0.00 36.82 34.17 3hkz h ILE 25 CO 0.05 0.04 0.62 0.00 -0.68 0.00 0.00 178.15 178.18 3hkz h ALA 26 N 1.55 1.30 0.02 1.87 0.00 -1.47 -2.42 119.26 120.11 3hkz h ALA 26 Ca 0.59 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.47 3hkz h ALA 26 Cb 1.80 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3hkz h ALA 26 CO -0.20 0.44 -0.01 1.25 0.00 0.00 0.00 179.25 180.73 3hkz h LEU 27 N 1.15 -0.02 -0.94 0.00 6.46 -0.02 -1.25 115.31 120.70 3hkz h LEU 27 Ca 0.40 -0.65 0.29 0.00 -0.12 0.00 0.00 57.88 57.80 3hkz h LEU 27 Cb 0.10 0.01 -0.16 0.00 -0.73 0.00 0.00 40.66 39.88 3hkz h LEU 27 CO -0.15 0.78 0.32 0.78 -0.62 0.00 0.00 178.44 179.56 3hkz h ASN 28 N -0.97 0.09 1.31 1.25 2.35 -1.46 1.15 115.58 119.30 3hkz h ASN 28 Ca -0.00 0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.88 3hkz h ASN 28 Cb 0.67 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 3hkz h ASN 28 CO 0.00 -0.23 -0.41 -0.33 -1.65 0.00 0.00 177.43 174.82 3hkz h GLU 29 N 0.17 0.00 0.00 0.81 4.39 -1.51 -3.12 114.58 115.32 3hkz h GLU 29 Ca 0.65 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.35 3hkz h GLU 29 Cb 1.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.08 3hkz h GLU 29 CO -0.71 0.41 -0.50 1.25 -1.16 0.00 0.00 179.01 178.30 3hkz h LEU 30 N 0.00 0.00 0.00 1.33 6.46 0.22 -3.35 115.31 119.96 3hkz h LEU 30 Ca -0.00 -0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.69 3hkz h LEU 30 Cb 1.17 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.10 3hkz h LEU 30 CO 0.05 0.04 0.00 0.54 -0.62 0.00 0.00 178.44 178.45 3hkz n ARG 31 N -2.52 0.00 0.00 1.25 1.74 0.30 -2.82 116.66 114.61 3hkz n ARG 31 Ca 0.03 0.45 0.00 0.00 -0.77 0.00 0.00 57.85 57.56 3hkz n ARG 31 Cb 0.49 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 3hkz n ARG 31 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3hkz n GLN 32 N -1.85 0.00 -0.02 5.56 6.02 -1.23 -0.20 117.38 125.66 3hkz n GLN 32 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3hkz n GLN 32 Cb 0.00 -0.95 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 3hkz n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hkz n GLN 33 N -0.11 3.10 0.00 -1.09 1.13 -1.23 -4.94 117.38 114.24 3hkz n GLN 33 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3hkz n GLN 33 Cb 0.00 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.24 3hkz n GLN 33 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 3hkz n TYR 34 N -2.19 0.00 -2.29 1.08 4.02 0.72 -5.04 117.16 113.45 3hkz n TYR 34 Ca -0.07 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.46 3hkz n TYR 34 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.94 3hkz n TYR 34 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 176.86 175.20 3hkz s GLN 35 N -0.37 3.68 -1.98 -0.72 -0.21 -0.75 -3.36 119.66 115.94 3hkz s GLN 35 Ca 0.00 1.69 0.00 0.00 0.02 0.00 0.00 55.36 57.07 3hkz s GLN 35 Cb 0.00 -2.29 0.00 0.00 1.00 0.00 0.00 33.01 31.72 3hkz s GLN 35 CO 0.00 -0.60 0.00 0.39 -2.12 0.00 0.00 175.29 172.96 3hkz n GLU 36 N -0.71 -1.38 -4.54 2.91 4.71 -0.90 -4.98 120.64 115.75 3hkz n GLU 36 Ca 0.08 1.14 -0.25 0.00 -0.01 0.00 0.00 57.16 58.12 3hkz n GLU 36 Cb 0.49 -5.51 -0.11 0.00 -1.01 0.00 0.00 31.44 25.31 3hkz n GLU 36 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3hkz s LYS 37 N -3.89 1.80 0.00 3.49 1.02 -1.21 -4.90 119.74 116.04 3hkz s LYS 37 Ca 0.00 -1.98 0.00 0.00 0.02 0.00 0.00 55.97 54.01 3hkz s LYS 37 Cb 0.00 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 3hkz s LYS 37 CO 0.00 -0.04 0.00 -0.89 -0.92 0.00 0.00 175.35 173.50 3hkz n ILE 38 N -0.81 0.00 0.00 2.17 2.08 -1.26 0.76 119.36 122.29 3hkz n ILE 38 Ca -0.04 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.27 3hkz n ILE 38 Cb 0.66 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 39.55 3hkz n ILE 38 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 3hkz n LEU 39 N 0.00 0.00 0.00 1.39 0.00 -1.26 -4.34 117.00 112.78 3hkz n LEU 39 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3hkz n LEU 39 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3hkz n LEU 39 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.39 178.56 3hkz n LYS 40 N 0.00 0.00 0.00 1.96 3.00 -1.26 -4.89 118.16 116.97 3hkz n LYS 40 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3hkz n LYS 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 3hkz n LYS 40 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3hkz n ASP 41 N 0.00 0.00 0.13 3.14 8.00 -1.26 -4.01 116.55 122.55 3hkz n ASP 41 Ca 0.00 0.88 -0.05 0.00 0.71 0.00 0.00 54.79 56.33 3hkz n ASP 41 Cb 0.00 -0.38 -0.02 0.00 -0.02 0.00 0.00 41.12 40.69 3hkz n ASP 41 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 3hkz h LEU 42 N 0.00 -0.29 0.00 0.64 -0.00 -1.96 -3.50 115.31 110.20 3hkz h LEU 42 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3hkz h LEU 42 Cb 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.73 3hkz h LEU 42 CO 0.00 -0.21 0.00 0.61 -0.00 0.00 0.00 178.44 178.84 3hkz n GLY 43 N -1.17 0.87 3.58 0.17 0.00 -1.26 -4.46 105.19 102.92 3hkz n GLY 43 Ca -0.04 -1.98 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 3hkz n GLY 43 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hkz s LEU 44 N 0.00 3.42 0.03 0.99 2.96 -0.70 -4.25 118.68 121.12 3hkz s LEU 44 Ca 0.00 1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 55.00 3hkz s LEU 44 Cb 0.00 -3.07 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 3hkz s LEU 44 CO 0.00 -2.30 1.14 -0.69 -1.32 0.00 0.00 176.35 173.18 3hkz s VAL 45 N 9.62 4.28 -0.20 1.68 1.01 0.23 -1.60 120.40 135.43 3hkz s VAL 45 Ca 0.94 1.63 0.14 0.00 0.00 0.00 0.00 61.98 64.69 3hkz s VAL 45 Cb -0.24 -4.04 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 3hkz s VAL 45 CO 0.30 0.10 0.07 0.18 0.00 0.00 0.00 175.10 175.76 3hkz n LEU 46 N 4.14 0.65 -3.65 3.92 4.77 -1.13 -2.11 117.00 123.59 3hkz n LEU 46 Ca 0.09 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 56.09 3hkz n LEU 46 Cb 0.47 0.19 -0.00 0.00 -2.33 0.00 0.00 43.42 41.76 3hkz n LEU 46 CO 0.55 0.58 1.05 0.00 -1.33 0.00 0.00 177.39 178.24 3hkz s ALA 47 N -2.50 -2.24 -0.09 -1.18 0.00 -1.20 -4.73 121.76 109.82 3hkz s ALA 47 Ca -0.14 0.63 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 3hkz s ALA 47 Cb 0.07 0.41 0.02 0.00 0.00 0.00 0.00 23.12 23.62 3hkz s ALA 47 CO 0.79 -1.06 -0.05 0.96 0.00 0.00 0.00 175.76 176.40 3hkz s ILE 48 N -2.41 0.75 0.00 0.00 -0.00 -1.26 -1.07 121.20 117.21 3hkz s ILE 48 Ca 0.15 -0.14 0.00 0.00 -0.00 0.00 0.00 60.65 60.66 3hkz s ILE 48 Cb 0.04 -0.81 0.00 0.00 -0.00 0.00 0.00 42.46 41.69 3hkz s ILE 48 CO -0.03 0.31 0.00 -0.11 -0.00 0.00 0.00 174.94 175.11 3hkz n LEU 49 N 4.82 0.52 -4.51 0.37 0.00 -1.09 -4.88 117.00 112.24 3hkz n LEU 49 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 56.01 55.46 3hkz n LEU 49 Cb 0.50 0.00 -0.03 0.00 0.00 0.00 0.00 43.42 43.89 3hkz n LEU 49 CO 0.16 0.00 1.08 0.20 0.00 0.00 0.00 177.39 178.82 3hkz s ASN 50 N -1.00 6.30 -0.82 1.96 0.01 -1.26 -4.89 114.94 115.23 3hkz s ASN 50 Ca 0.00 -1.05 -0.14 0.00 -0.71 0.00 0.00 52.86 50.96 3hkz s ASN 50 Cb 0.00 -2.50 -0.10 0.00 0.41 0.00 0.00 41.25 39.06 3hkz s ASN 50 CO 0.00 -1.54 1.99 1.33 -1.51 0.00 0.00 177.10 177.37 3hkz n VAL 51 N 6.22 2.07 1.51 1.60 0.24 -1.26 -3.12 118.33 125.58 3hkz n VAL 51 Ca 0.10 -1.50 0.12 0.00 -2.04 0.00 0.00 64.34 61.02 3hkz n VAL 51 Cb 0.48 -2.22 0.73 0.00 -1.47 0.00 0.00 33.84 31.36 3hkz n VAL 51 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 3hkz n LYS 52 N 5.67 0.72 -3.79 7.34 2.85 0.14 -4.64 118.16 126.45 3hkz n LYS 52 Ca 0.46 0.01 -0.14 0.00 -1.05 0.00 0.00 58.31 57.59 3hkz n LYS 52 Cb 0.27 -1.50 -0.15 0.00 -0.65 0.00 0.00 35.03 33.00 3hkz n LYS 52 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3hkz s THR 53 N -2.09 -0.05 -0.34 0.58 2.01 -0.25 -4.79 115.64 110.71 3hkz s THR 53 Ca 0.35 0.17 0.16 0.00 0.31 0.00 0.00 61.69 62.68 3hkz s THR 53 Cb 0.17 -0.09 0.43 0.00 0.01 0.00 0.00 72.50 73.02 3hkz s THR 53 CO 0.30 0.07 0.92 -1.20 -0.69 0.00 0.00 174.62 174.02 3hkz n SER 54 N 3.95 1.63 -4.58 3.53 7.64 -1.26 -3.56 113.62 120.97 3hkz n SER 54 Ca -0.24 -2.86 -0.47 0.00 1.01 0.00 0.00 58.87 56.30 3hkz n SER 54 Cb 0.52 -0.54 -0.05 0.00 -1.01 0.00 0.00 64.21 63.13 3hkz n SER 54 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3hkz n GLU 55 N -0.03 1.80 -1.29 1.43 1.02 -1.24 -4.79 120.64 117.53 3hkz n GLU 55 Ca 0.15 0.56 -0.36 0.00 -0.02 0.00 0.00 57.16 57.48 3hkz n GLU 55 Cb 0.77 -2.82 -0.13 0.00 -0.02 0.00 0.00 31.44 29.24 3hkz n GLU 55 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hkz n GLU 56 N 7.93 0.00 0.00 3.49 2.13 -1.26 -4.11 120.64 128.83 3hkz n GLU 56 Ca 0.31 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.13 3hkz n GLU 56 Cb 0.33 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.74 3hkz n GLU 56 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hkz n GLY 57 N 5.69 0.49 2.83 8.31 0.00 -1.23 -5.00 105.19 116.28 3hkz n GLY 57 Ca 0.57 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.43 3hkz n GLY 57 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 58 N 1.06 0.13 0.59 -0.61 1.01 0.40 -4.99 121.20 118.79 3hkz s ILE 58 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 3hkz s ILE 58 Cb 0.00 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.22 3hkz s ILE 58 CO 0.00 0.12 0.98 -0.76 0.00 0.00 0.00 174.94 175.27 3hkz s LEU 59 N 0.84 3.31 0.04 2.97 1.43 -1.26 -2.87 118.68 123.14 3hkz s LEU 59 Ca -0.08 1.30 -0.06 0.00 -1.03 0.00 0.00 54.13 54.25 3hkz s LEU 59 Cb -0.11 -4.32 -0.01 0.00 0.03 0.00 0.00 46.19 41.78 3hkz s LEU 59 CO -0.02 -0.82 0.11 0.68 0.23 0.00 0.00 176.35 176.53 3hkz s VAL 60 N -3.09 0.13 0.17 -1.59 -7.23 -1.26 -5.00 120.40 102.53 3hkz s VAL 60 Ca 0.53 -1.10 -0.32 0.00 -1.81 0.00 0.00 61.98 59.28 3hkz s VAL 60 Cb -0.11 -0.96 -0.12 0.00 0.56 0.00 0.00 36.38 35.75 3hkz s VAL 60 CO 0.52 -0.61 1.76 0.49 -0.31 0.00 0.00 175.10 176.95 3hkz n PHE 61 N 0.66 2.65 0.00 2.82 3.01 -1.26 -3.90 117.46 121.45 3hkz n PHE 61 Ca -0.18 -0.01 0.00 0.00 1.01 0.00 0.00 57.45 58.26 3hkz n PHE 61 Cb 0.59 -2.68 0.00 0.00 -0.01 0.00 0.00 39.48 37.37 3hkz n PHE 61 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3hkz n GLY 62 N 4.03 2.75 3.60 1.37 0.00 -1.26 -5.02 105.19 110.66 3hkz n GLY 62 Ca 0.17 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 3hkz n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hkz s ASP 63 N 0.00 6.60 0.00 1.61 2.15 -1.25 -4.91 116.67 120.86 3hkz s ASP 63 Ca 0.00 0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.52 3hkz s ASP 63 Cb 0.00 -2.38 0.00 0.00 -0.30 0.00 0.00 42.92 40.24 3hkz s ASP 63 CO 0.00 -0.60 0.27 0.61 -0.17 0.00 0.00 175.17 175.29 3hkz n GLY 64 N 4.32 0.75 0.00 2.66 0.00 -1.26 -4.58 105.19 107.07 3hkz n GLY 64 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3hkz n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkz n ALA 65 N 0.32 0.00 -3.65 4.61 0.00 -1.26 -4.42 120.51 116.12 3hkz n ALA 65 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 3hkz n ALA 65 Cb 0.14 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.52 3hkz n ALA 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3hkz s THR 66 N 1.54 0.00 -0.05 0.00 2.01 -1.17 -4.90 115.64 113.07 3hkz s THR 66 Ca 0.00 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.03 3hkz s THR 66 Cb 0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 3hkz s THR 66 CO 0.00 0.00 -0.12 -0.31 -0.69 0.00 0.00 174.62 173.50 3hkz s TYR 67 N 0.21 1.31 -0.08 4.92 1.51 -1.14 -1.79 117.35 122.30 3hkz s TYR 67 Ca 0.04 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3hkz s TYR 67 Cb -0.05 -0.95 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 3hkz s TYR 67 CO -0.13 -0.20 -0.07 -1.01 -1.11 0.00 0.00 175.55 173.03 3hkz s HIS 68 N 0.44 1.16 0.07 2.71 3.76 -1.10 -0.46 115.29 121.87 3hkz s HIS 68 Ca -0.09 -0.46 -0.31 0.00 -0.15 0.00 0.00 55.06 54.05 3hkz s HIS 68 Cb -0.13 -0.98 -0.08 0.00 1.11 0.00 0.00 32.58 32.50 3hkz s HIS 68 CO 0.02 -0.34 1.67 -1.83 -0.85 0.00 0.00 174.74 173.42 3hkz s GLU 69 N 1.26 4.19 0.01 1.40 -1.05 -1.26 -2.77 118.70 120.48 3hkz s GLU 69 Ca -0.04 2.35 0.05 0.00 -0.15 0.00 0.00 54.97 57.18 3hkz s GLU 69 Cb -0.14 -3.63 -0.03 0.00 -0.44 0.00 0.00 34.13 29.89 3hkz s GLU 69 CO -0.02 -0.75 -0.14 0.08 0.95 0.00 0.00 175.26 175.37 3hkz s VAL 70 N 2.76 3.10 -0.19 1.83 1.01 0.97 -3.73 120.40 126.14 3hkz s VAL 70 Ca 0.75 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 61.71 3hkz s VAL 70 Cb -0.40 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.65 3hkz s VAL 70 CO 0.33 0.42 0.02 -1.61 0.00 0.00 0.00 175.10 174.25 3hkz s GLU 71 N -1.26 3.77 0.06 2.72 2.02 -1.23 -1.38 118.70 123.40 3hkz s GLU 71 Ca 0.15 -0.45 -0.09 0.00 0.02 0.00 0.00 54.97 54.60 3hkz s GLU 71 Cb -0.11 -3.11 -0.00 0.00 0.10 0.00 0.00 34.13 31.01 3hkz s GLU 71 CO 0.05 0.15 0.19 -0.59 0.02 0.00 0.00 175.26 175.07 3hkz s PHE 72 N 0.66 0.11 0.05 1.61 -0.12 -0.82 0.23 117.98 119.71 3hkz s PHE 72 Ca 0.01 -0.45 0.02 0.00 -0.05 0.00 0.00 56.93 56.46 3hkz s PHE 72 Cb -0.14 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 3hkz s PHE 72 CO 0.02 -0.48 0.07 -0.51 -0.05 0.00 0.00 175.22 174.27 3hkz s ASP 73 N -2.48 5.53 -0.08 1.98 1.01 -1.18 -0.52 116.67 120.92 3hkz s ASP 73 Ca 0.00 0.03 -0.00 0.00 0.71 0.00 0.00 52.55 53.29 3hkz s ASP 73 Cb 0.02 -1.51 0.02 0.00 1.01 0.00 0.00 42.92 42.46 3hkz s ASP 73 CO -0.08 0.21 -0.04 -0.04 0.21 0.00 0.00 175.17 175.43 3hkz s MET 74 N -2.13 1.02 0.30 8.23 -1.94 0.42 -2.67 119.30 122.53 3hkz s MET 74 Ca 0.27 -0.09 -0.26 0.00 -1.71 0.00 0.00 55.69 53.89 3hkz s MET 74 Cb -0.12 -1.15 -0.10 0.00 2.01 0.00 0.00 34.83 35.47 3hkz s MET 74 CO 0.19 -0.21 0.93 0.42 -0.01 0.00 0.00 175.02 176.34 3hkz s ILE 75 N 1.52 4.20 0.02 2.53 -1.09 -0.23 0.22 121.20 128.37 3hkz s ILE 75 Ca -0.01 1.85 0.00 0.00 -2.23 0.00 0.00 60.65 60.26 3hkz s ILE 75 Cb -0.13 -4.06 -0.02 0.00 -1.58 0.00 0.00 42.46 36.67 3hkz s ILE 75 CO -0.04 0.21 -0.03 -0.89 -1.23 0.00 0.00 174.94 172.96 3hkz s THR 76 N -1.54 0.14 -0.14 2.92 2.01 0.23 -2.83 115.64 116.43 3hkz s THR 76 Ca 0.48 -0.82 -0.00 0.00 0.31 0.00 0.00 61.69 61.66 3hkz s THR 76 Cb -0.20 -0.27 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 3hkz s THR 76 CO 0.25 -0.43 -0.14 -0.47 -0.69 0.00 0.00 174.62 173.15 3hkz s TYR 77 N -1.28 2.80 0.01 4.92 5.04 -0.63 -0.61 117.35 127.61 3hkz s TYR 77 Ca -0.13 -0.82 -0.01 0.00 -2.44 0.00 0.00 57.07 53.67 3hkz s TYR 77 Cb -0.09 -1.87 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 3hkz s TYR 77 CO -0.01 -0.33 -0.00 0.08 -1.34 0.00 0.00 175.55 173.94 3hkz s VAL 78 N 0.59 0.09 0.18 3.14 1.01 -0.91 -1.72 120.40 122.79 3hkz s VAL 78 Ca -0.08 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 3hkz s VAL 78 Cb -0.16 -0.25 -0.07 0.00 0.00 0.00 0.00 36.38 35.90 3hkz s VAL 78 CO 0.03 -0.42 0.58 -2.16 0.00 0.00 0.00 175.10 173.13 3hkz s PRO 79 N -1.26 3.97 -0.15 2.72 0.04 -1.26 0.34 135.00 139.41 3hkz s PRO 79 Ca -0.14 0.50 -0.07 0.00 0.04 0.00 0.00 61.00 61.33 3hkz s PRO 79 Cb -0.08 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.58 3hkz s PRO 79 CO -0.01 0.42 0.10 0.08 0.04 0.00 0.00 177.00 177.63 3hkz s VAL 80 N -1.57 5.14 -2.00 -0.36 1.01 -1.26 -4.85 120.40 116.50 3hkz s VAL 80 Ca 0.41 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.47 3hkz s VAL 80 Cb -0.14 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 32.97 3hkz s VAL 80 CO 0.20 0.54 0.04 0.52 0.00 0.00 0.00 175.10 176.39 3hkz n VAL 81 N 2.69 0.00 -3.16 2.92 0.31 -1.26 -2.82 118.33 117.00 3hkz n VAL 81 Ca -0.18 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.15 3hkz n VAL 81 Cb 0.53 -0.53 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3hkz n VAL 81 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3hkz s GLN 82 N -2.00 0.84 -0.03 5.55 -1.52 -1.26 -4.48 119.66 116.75 3hkz s GLN 82 Ca 0.00 -0.33 0.00 0.00 -1.95 0.00 0.00 55.36 53.08 3hkz s GLN 82 Cb 0.00 0.09 0.03 0.00 -0.22 0.00 0.00 33.01 32.90 3hkz s GLN 82 CO 0.00 -1.19 0.00 -2.00 -0.25 0.00 0.00 175.29 171.85 3hkz s GLU 83 N 1.76 0.31 -0.41 2.91 2.12 -1.13 -4.93 118.70 119.33 3hkz s GLU 83 Ca 0.17 0.09 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 3hkz s GLU 83 Cb -0.04 -0.52 0.01 0.00 0.26 0.00 0.00 34.13 33.84 3hkz s GLU 83 CO -0.07 -0.16 1.43 0.08 -0.54 0.00 0.00 175.26 176.00 3hkz s VAL 84 N 1.14 3.88 0.04 3.70 1.01 -1.26 -2.30 120.40 126.62 3hkz s VAL 84 Ca -0.08 0.90 0.08 0.00 0.00 0.00 0.00 61.98 62.88 3hkz s VAL 84 Cb -0.13 -4.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3hkz s VAL 84 CO -0.02 -0.76 -0.24 -0.69 0.00 0.00 0.00 175.10 173.39 3hkz s VAL 85 N 5.51 1.94 -0.10 2.92 1.01 0.67 -4.94 120.40 127.41 3hkz s VAL 85 Ca 0.62 -1.30 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3hkz s VAL 85 Cb -0.14 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.60 3hkz s VAL 85 CO 0.33 0.30 -0.05 -1.61 0.00 0.00 0.00 175.10 174.07 3hkz s GLU 86 N -1.20 1.21 0.00 2.72 2.02 -1.26 0.23 118.70 122.42 3hkz s GLU 86 Ca 0.10 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.96 3hkz s GLU 86 Cb -0.09 -1.37 0.00 0.00 0.10 0.00 0.00 34.13 32.77 3hkz s GLU 86 CO 0.02 -0.27 0.00 0.41 0.02 0.00 0.00 175.26 175.44 3hkz n GLY 87 N 4.99 5.60 3.33 -1.39 0.00 -1.10 -4.97 105.19 111.64 3hkz n GLY 87 Ca -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.83 3hkz n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hkz s GLU 88 N 4.90 0.46 -0.06 1.61 2.12 -1.25 -2.81 118.70 123.66 3hkz s GLU 88 Ca 0.00 1.11 -0.30 0.00 0.36 0.00 0.00 54.97 56.14 3hkz s GLU 88 Cb 0.00 0.45 -0.06 0.00 0.26 0.00 0.00 34.13 34.78 3hkz s GLU 88 CO 0.00 -0.36 1.84 0.08 -0.54 0.00 0.00 175.26 176.27 3hkz s VAL 89 N 2.75 3.31 -0.28 3.70 1.01 -0.01 -2.85 120.40 128.04 3hkz s VAL 89 Ca 0.03 0.37 0.22 0.00 0.00 0.00 0.00 61.98 62.61 3hkz s VAL 89 Cb -0.13 -3.27 0.07 0.00 0.00 0.00 0.00 36.38 33.05 3hkz s VAL 89 CO -0.17 -0.07 1.16 -0.07 0.00 0.00 0.00 175.10 175.96 3hkz h LEU 90 N 11.15 0.00 -7.00 3.92 3.38 -1.64 -3.06 115.31 122.06 3hkz h LEU 90 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3hkz h LEU 90 Cb 1.20 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.72 3hkz h LEU 90 CO 0.96 0.02 0.26 -1.58 0.09 0.00 0.00 178.44 178.18 3hkz s GLN 91 N -3.32 0.71 0.21 1.13 0.74 -1.19 -4.90 119.66 113.03 3hkz s GLN 91 Ca 0.01 0.83 0.08 0.00 0.05 0.00 0.00 55.36 56.33 3hkz s GLN 91 Cb 0.09 0.34 -0.04 0.00 1.10 0.00 0.00 33.01 34.50 3hkz s GLN 91 CO 0.76 -0.09 0.01 0.08 -0.55 0.00 0.00 175.29 175.51 3hkz s VAL 92 N 0.29 3.68 -0.02 1.34 1.01 -1.26 -1.15 120.40 124.29 3hkz s VAL 92 Ca 0.01 -1.57 -0.29 0.00 0.00 0.00 0.00 61.98 60.14 3hkz s VAL 92 Cb -0.05 -2.89 0.10 0.00 0.00 0.00 0.00 36.38 33.54 3hkz s VAL 92 CO -0.02 -0.20 0.89 -0.62 0.00 0.00 0.00 175.10 175.15 3hkz s ASP 93 N -3.21 -0.37 0.03 3.32 2.15 -0.94 -4.99 116.67 112.65 3hkz s ASP 93 Ca 0.29 0.05 0.07 0.00 0.43 0.00 0.00 52.55 53.39 3hkz s ASP 93 Cb -0.08 0.38 0.32 0.00 -0.30 0.00 0.00 42.92 43.24 3hkz s ASP 93 CO 0.19 -0.60 1.23 0.59 -0.17 0.00 0.00 175.17 176.41 3hkz n ASN 94 N -0.13 0.06 0.06 -0.34 3.02 -1.26 -1.54 115.26 115.13 3hkz n ASN 94 Ca -0.09 0.52 -0.23 0.00 -0.03 0.00 0.00 54.58 54.75 3hkz n ASN 94 Cb 0.61 -0.53 -0.15 0.00 -0.61 0.00 0.00 39.78 39.10 3hkz n ASN 94 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 3hkz h TYR 95 N 0.00 0.66 0.00 3.10 0.99 -1.96 -3.48 116.97 116.28 3hkz h TYR 95 Ca 0.00 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 60.25 3hkz h TYR 95 Cb 0.10 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.80 3hkz h TYR 95 CO 0.00 1.63 0.00 0.41 -0.00 0.00 0.00 178.16 180.20 3hkz n GLY 96 N 1.82 -0.44 2.89 3.88 0.00 -0.59 -1.59 105.19 111.16 3hkz n GLY 96 Ca -0.24 0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 3hkz n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 97 N 0.00 0.70 -0.25 -0.61 1.01 0.71 -2.23 121.20 120.53 3hkz s ILE 97 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 60.65 60.38 3hkz s ILE 97 Cb 0.00 -0.73 -0.05 0.00 0.01 0.00 0.00 42.46 41.69 3hkz s ILE 97 CO 0.00 0.28 0.19 -0.36 0.00 0.00 0.00 174.94 175.06 3hkz s PHE 98 N 1.27 3.29 -0.05 3.97 0.40 -0.30 0.19 117.98 126.76 3hkz s PHE 98 Ca -0.05 0.23 0.06 0.00 -0.60 0.00 0.00 56.93 56.57 3hkz s PHE 98 Cb -0.14 -2.33 -0.02 0.00 0.51 0.00 0.00 43.02 41.05 3hkz s PHE 98 CO -0.02 -0.01 -0.23 0.08 0.70 0.00 0.00 175.22 175.74 3hkz s VAL 99 N 1.31 2.29 -0.34 -0.44 1.01 0.37 -1.62 120.40 122.99 3hkz s VAL 99 Ca 0.08 -1.00 -0.25 0.00 0.00 0.00 0.00 61.98 60.82 3hkz s VAL 99 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 3hkz s VAL 99 CO 0.07 0.58 0.85 0.21 0.00 0.00 0.00 175.10 176.81 3hkz s ASN 100 N -0.40 6.67 -0.17 3.32 3.84 -1.13 0.22 114.94 127.28 3hkz s ASN 100 Ca 0.04 0.60 0.16 0.00 0.21 0.00 0.00 52.86 53.87 3hkz s ASN 100 Cb -0.12 -2.43 0.73 0.00 -0.55 0.00 0.00 41.25 38.87 3hkz s ASN 100 CO 0.01 -0.74 1.64 0.18 -2.79 0.00 0.00 177.10 175.41 3hkz n LEU 101 N 6.49 5.01 0.00 3.21 4.77 0.11 -3.86 117.00 132.73 3hkz n LEU 101 Ca 0.05 -2.73 0.00 0.00 -0.03 0.00 0.00 56.01 53.31 3hkz n LEU 101 Cb 0.48 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 3hkz n LEU 101 CO 0.54 0.71 0.00 0.61 -1.33 0.00 0.00 177.39 177.92 3hkz n GLY 102 N 0.65 0.50 0.00 -0.72 0.00 -1.26 -4.55 105.19 99.81 3hkz n GLY 102 Ca 0.26 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 45.15 3hkz n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hkz n PRO 103 N 0.00 0.32 -4.04 1.61 -0.04 -1.26 -4.60 135.00 126.99 3hkz n PRO 103 Ca 0.00 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 3hkz n PRO 103 Cb 0.00 -1.50 -0.17 0.00 -0.04 0.00 0.00 33.50 31.79 3hkz n PRO 103 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3hkz s MET 104 N -2.20 0.83 -0.18 0.54 -1.94 -1.26 -5.10 119.30 109.98 3hkz s MET 104 Ca 0.16 -0.06 -0.28 0.00 -1.71 0.00 0.00 55.69 53.81 3hkz s MET 104 Cb 0.08 -0.94 -0.00 0.00 2.01 0.00 0.00 34.83 35.98 3hkz s MET 104 CO 0.16 -0.16 0.96 -0.51 -0.01 0.00 0.00 175.02 175.46 3hkz s ASP 105 N 1.27 7.08 -0.11 3.03 1.11 -1.26 0.08 116.67 127.87 3hkz s ASP 105 Ca -0.05 1.34 0.01 0.00 0.18 0.00 0.00 52.55 54.03 3hkz s ASP 105 Cb -0.14 -2.51 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 3hkz s ASP 105 CO -0.02 -0.52 -0.15 -0.83 1.18 0.00 0.00 175.17 174.83 3hkz s GLY 106 N 1.17 1.51 0.03 0.21 0.00 0.61 -4.48 107.32 106.37 3hkz s GLY 106 Ca 0.43 -0.92 -0.06 0.00 0.00 0.00 0.00 44.72 44.17 3hkz s GLY 106 CO 0.11 -0.34 0.29 -2.27 0.00 0.00 0.00 173.10 170.88 3hkz s LEU 107 N 0.10 4.36 -0.31 0.66 2.96 -1.08 0.14 118.68 125.51 3hkz s LEU 107 Ca -0.07 0.56 -0.06 0.00 -0.22 0.00 0.00 54.13 54.34 3hkz s LEU 107 Cb -0.15 -2.79 0.02 0.00 0.50 0.00 0.00 46.19 43.78 3hkz s LEU 107 CO 0.05 0.22 0.07 -0.69 -1.32 0.00 0.00 176.35 174.68 3hkz s VAL 108 N -1.36 3.76 0.53 1.68 1.01 0.51 -1.22 120.40 125.30 3hkz s VAL 108 Ca 0.30 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 61.17 3hkz s VAL 108 Cb -0.13 -3.01 -0.06 0.00 0.00 0.00 0.00 36.38 33.18 3hkz s VAL 108 CO 0.18 -0.00 1.19 -2.28 0.00 0.00 0.00 175.10 174.19 3hkz s HIS 109 N 1.44 2.62 0.36 5.22 2.46 -1.25 -0.21 115.29 125.92 3hkz s HIS 109 Ca 0.01 1.51 0.09 0.00 0.47 0.00 0.00 55.06 57.14 3hkz s HIS 109 Cb -0.18 -3.43 0.69 0.00 -0.13 0.00 0.00 32.58 29.52 3hkz s HIS 109 CO 0.02 -1.88 1.84 0.82 -2.47 0.00 0.00 174.74 173.07 3hkz h ILE 110 N 1.38 1.23 -0.30 0.89 1.08 -1.65 -3.09 117.51 117.04 3hkz h ILE 110 Ca -0.50 -1.06 -0.02 0.00 -0.39 0.00 0.00 64.86 62.89 3hkz h ILE 110 Cb 1.27 1.42 -0.01 0.00 -3.07 0.00 0.00 36.82 36.42 3hkz h ILE 110 CO 0.58 0.32 0.10 0.77 -0.69 0.00 0.00 178.15 179.23 3hkz h SER 111 N 0.18 0.43 -2.89 1.72 4.64 -1.92 -3.30 113.55 112.41 3hkz h SER 111 Ca 0.03 -0.19 -0.75 0.00 -0.47 0.00 0.00 61.79 60.41 3hkz h SER 111 Cb 0.54 -0.11 -0.32 0.00 -0.31 0.00 0.00 62.40 62.19 3hkz h SER 111 CO 0.04 0.51 0.33 0.00 -0.87 0.00 0.00 176.83 176.83 3hkz n GLN 112 N -4.71 3.70 0.05 4.77 1.13 -1.17 -4.70 117.38 116.45 3hkz n GLN 112 Ca -0.02 -4.56 0.00 0.00 -1.94 0.00 0.00 57.00 50.48 3hkz n GLN 112 Cb 0.15 -2.45 0.00 0.00 0.11 0.00 0.00 30.24 28.06 3hkz n GLN 112 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3hkz n ILE 113 N 1.50 0.10 -3.63 5.09 3.06 -1.23 -3.56 119.36 120.70 3hkz n ILE 113 Ca 0.26 0.03 -0.16 0.00 -2.50 0.00 0.00 62.75 60.39 3hkz n ILE 113 Cb 0.36 -0.71 -0.07 0.00 0.54 0.00 0.00 39.64 39.76 3hkz n ILE 113 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 3hkz s THR 114 N -2.00 0.02 -1.04 9.51 2.01 -1.26 -4.09 115.64 118.78 3hkz s THR 114 Ca 0.00 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3hkz s THR 114 Cb 0.00 -0.84 -0.07 0.00 0.01 0.00 0.00 72.50 71.60 3hkz s THR 114 CO 0.00 -0.08 2.20 -0.67 -0.69 0.00 0.00 174.62 175.38 3hkz n ASP 115 N 1.38 4.79 0.00 3.53 -0.08 -1.26 -4.44 116.55 120.47 3hkz n ASP 115 Ca -0.19 -2.50 0.00 0.00 -1.51 0.00 0.00 54.79 50.59 3hkz n ASP 115 Cb 0.56 -1.23 0.00 0.00 2.34 0.00 0.00 41.12 42.80 3hkz n ASP 115 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 3hkz n ASP 116 N 5.14 0.00 -4.63 1.67 2.03 -1.26 -5.09 116.55 114.40 3hkz n ASP 116 Ca 0.52 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.57 3hkz n ASP 116 Cb 0.24 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.55 3hkz n ASP 116 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hkz s THR 117 N 0.97 2.35 -0.30 5.18 2.01 -1.26 -5.08 115.64 119.51 3hkz s THR 117 Ca 0.00 -1.97 0.10 0.00 0.31 0.00 0.00 61.69 60.14 3hkz s THR 117 Cb 0.00 -2.86 0.47 0.00 0.01 0.00 0.00 72.50 70.12 3hkz s THR 117 CO 0.00 -0.11 1.16 0.18 -0.69 0.00 0.00 174.62 175.16 3hkz n LEU 118 N -0.98 4.15 -4.71 4.42 4.77 -1.26 -4.82 117.00 118.56 3hkz n LEU 118 Ca -0.04 -4.43 -0.29 0.00 -0.03 0.00 0.00 56.01 51.23 3hkz n LEU 118 Cb 0.64 -0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3hkz n LEU 118 CO 0.45 1.90 -0.30 -0.54 -1.33 0.00 0.00 177.39 177.56 3hkz s LYS 119 N -3.62 2.62 -0.01 3.23 1.02 -1.25 -5.06 119.74 116.67 3hkz s LYS 119 Ca 0.45 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3hkz s LYS 119 Cb 0.39 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3hkz s LYS 119 CO 0.00 0.52 -0.01 -0.47 -0.92 0.00 0.00 175.35 174.47 3hkz s TYR 120 N -1.48 0.17 -0.16 3.18 5.04 -1.26 -1.59 117.35 121.25 3hkz s TYR 120 Ca 0.27 0.00 -0.04 0.00 -2.44 0.00 0.00 57.07 54.87 3hkz s TYR 120 Cb -0.11 -0.19 -0.03 0.00 0.35 0.00 0.00 41.96 41.98 3hkz s TYR 120 CO 0.20 -0.04 -0.03 0.34 -1.34 0.00 0.00 175.55 174.68 3hkz s ASP 121 N 0.36 4.84 0.00 4.32 3.68 0.26 -4.90 116.67 125.24 3hkz s ASP 121 Ca -0.03 -0.13 0.00 0.00 2.13 0.00 0.00 52.55 54.52 3hkz s ASP 121 Cb -0.05 -1.80 0.00 0.00 -1.45 0.00 0.00 42.92 39.62 3hkz s ASP 121 CO -0.01 0.15 0.00 -3.20 0.13 0.00 0.00 175.17 172.24 3hkz n ASN 122 N 3.64 0.00 0.29 -0.34 2.85 -1.26 -1.57 115.26 118.87 3hkz n ASN 122 Ca -0.17 0.11 0.16 0.00 -0.11 0.00 0.00 54.58 54.56 3hkz n ASN 122 Cb 0.52 -0.12 0.87 0.00 1.24 0.00 0.00 39.78 42.29 3hkz n ASN 122 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3hkz h VAL 123 N 0.00 0.37 -0.19 3.44 2.07 -1.98 0.10 116.25 120.06 3hkz h VAL 123 Ca 0.00 -0.32 -0.18 0.00 0.82 0.00 0.00 66.70 67.03 3hkz h VAL 123 Cb 0.00 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3hkz h VAL 123 CO 0.00 0.06 -0.57 -0.09 0.02 0.00 0.00 177.57 176.99 3hkz h ARG 124 N 0.00 0.72 -0.40 1.57 9.65 -2.03 -3.48 114.38 120.41 3hkz h ARG 124 Ca -0.00 -0.52 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 3hkz h ARG 124 Cb 0.22 0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.89 3hkz h ARG 124 CO 0.01 1.14 0.00 0.41 2.80 0.00 0.00 179.97 184.33 3hkz n GLY 125 N 0.55 0.72 2.99 2.80 0.00 0.35 -5.08 105.19 107.52 3hkz n GLY 125 Ca -0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 3hkz n GLY 125 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hkz s ILE 126 N -1.86 0.25 -0.23 -0.61 1.09 -0.61 -4.51 121.20 114.73 3hkz s ILE 126 Ca 0.00 -0.83 -0.09 0.00 -1.10 0.00 0.00 60.65 58.62 3hkz s ILE 126 Cb 0.00 -0.35 -0.04 0.00 -1.06 0.00 0.00 42.46 41.00 3hkz s ILE 126 CO 0.00 -0.38 0.12 -0.63 -0.10 0.00 0.00 174.94 173.96 3hkz s ILE 127 N -1.21 5.02 0.42 2.92 1.01 -1.21 0.92 121.20 129.07 3hkz s ILE 127 Ca -0.11 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.65 3hkz s ILE 127 Cb -0.09 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 3hkz s ILE 127 CO -0.00 0.36 0.02 0.12 0.00 0.00 0.00 174.94 175.43 3hkz s PHE 128 N 1.07 2.32 0.00 3.97 5.36 -0.62 -3.80 117.98 126.28 3hkz s PHE 128 Ca 0.06 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.26 3hkz s PHE 128 Cb -0.14 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.87 3hkz s PHE 128 CO 0.04 0.34 0.00 0.41 -1.46 0.00 0.00 175.22 174.55 3hkz n GLY 129 N -0.99 6.98 0.93 13.12 0.00 -1.26 -3.90 105.19 120.07 3hkz n GLY 129 Ca -0.07 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.95 3hkz n GLY 129 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hkz n GLU 130 N 0.00 0.00 -0.00 1.61 1.02 -1.26 -4.61 120.64 117.39 3hkz n GLU 130 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3hkz n GLU 130 Cb 0.00 -0.36 -0.00 0.00 -0.02 0.00 0.00 31.44 31.06 3hkz n GLU 130 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3hkz h LYS 131 N 0.00 0.00 0.00 3.49 1.57 -1.99 -3.39 116.57 116.25 3hkz h LYS 131 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hkz h LYS 131 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3hkz h LYS 131 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3hkz h SER 132 N -0.04 0.00 -6.50 0.86 4.64 -1.98 -3.48 113.55 107.05 3hkz h SER 132 Ca 0.00 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.92 3hkz h SER 132 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3hkz h SER 132 CO 0.00 0.00 -0.93 0.29 -0.87 0.00 0.00 176.83 175.32 3hkz n LYS 133 N -2.84 -1.57 -2.48 4.77 5.02 -1.26 -4.84 118.16 114.96 3hkz n LYS 133 Ca 0.03 0.96 -0.43 0.00 -2.02 0.00 0.00 58.31 56.85 3hkz n LYS 133 Cb 0.41 -2.84 -0.02 0.00 -0.02 0.00 0.00 35.03 32.55 3hkz n LYS 133 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hkz s LYS 134 N -4.38 4.27 -0.76 1.97 1.02 -1.26 -4.79 119.74 115.82 3hkz s LYS 134 Ca 0.04 1.60 -0.26 0.00 0.02 0.00 0.00 55.97 57.38 3hkz s LYS 134 Cb -0.01 -3.69 -0.01 0.00 -0.52 0.00 0.00 37.83 33.60 3hkz s LYS 134 CO 0.87 -0.62 1.76 0.08 -0.92 0.00 0.00 175.35 176.52 3hkz s VAL 135 N 3.09 3.49 -0.22 3.17 1.01 -1.26 -4.27 120.40 125.42 3hkz s VAL 135 Ca 0.53 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.48 3hkz s VAL 135 Cb -0.21 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 31.98 3hkz s VAL 135 CO 0.15 -1.17 -0.14 -0.63 0.00 0.00 0.00 175.10 173.32 3hkz s ILE 136 N 8.46 2.33 0.09 2.22 -1.09 -1.25 -5.08 121.20 126.88 3hkz s ILE 136 Ca 0.61 -1.15 0.00 0.00 -2.23 0.00 0.00 60.65 57.88 3hkz s ILE 136 Cb -0.09 -2.15 -0.00 0.00 -1.58 0.00 0.00 42.46 38.64 3hkz s ILE 136 CO 0.10 0.29 0.02 0.00 -1.23 0.00 0.00 174.94 174.12 3hkz n GLN 137 N 4.58 1.30 -2.46 2.79 6.02 -1.26 -3.32 117.38 125.04 3hkz n GLN 137 Ca -0.18 -0.73 -0.42 0.00 -0.01 0.00 0.00 57.00 55.67 3hkz n GLN 137 Cb 0.47 0.29 0.01 0.00 1.02 0.00 0.00 30.24 32.03 3hkz n GLN 137 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hkz n LYS 138 N -0.22 4.50 0.00 -1.09 5.02 -1.26 -4.02 118.16 121.09 3hkz n LYS 138 Ca -0.03 -3.99 0.00 0.00 -2.02 0.00 0.00 58.31 52.27 3hkz n LYS 138 Cb 0.13 -2.65 0.00 0.00 -0.02 0.00 0.00 35.03 32.49 3hkz n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkz n GLY 139 N 1.53 0.00 3.44 0.72 0.00 -1.16 -4.93 105.19 104.79 3hkz n GLY 139 Ca 0.45 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 3hkz n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkz s ASP 140 N 0.00 0.41 -0.05 1.61 1.11 -1.26 -4.66 116.67 113.84 3hkz s ASP 140 Ca 0.00 1.35 0.05 0.00 0.18 0.00 0.00 52.55 54.13 3hkz s ASP 140 Cb 0.00 -2.08 -0.01 0.00 1.07 0.00 0.00 42.92 41.91 3hkz s ASP 140 CO 0.00 -4.53 -0.20 -0.54 1.18 0.00 0.00 175.17 171.09 3hkz s LYS 141 N -4.57 2.03 0.39 8.23 1.02 -1.26 -0.83 119.74 124.75 3hkz s LYS 141 Ca 0.69 -0.71 0.04 0.00 0.02 0.00 0.00 55.97 56.01 3hkz s LYS 141 Cb -0.23 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.27 3hkz s LYS 141 CO 0.64 0.30 0.05 0.14 -0.92 0.00 0.00 175.35 175.55 3hkz s VAL 142 N -0.05 1.29 -0.18 3.17 -7.23 -1.12 -2.30 120.40 113.98 3hkz s VAL 142 Ca -0.03 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.14 3hkz s VAL 142 Cb -0.12 -2.68 0.04 0.00 0.56 0.00 0.00 36.38 34.18 3hkz s VAL 142 CO 0.03 0.00 -0.11 -0.60 -0.31 0.00 0.00 175.10 174.11 3hkz s ARG 143 N -3.81 2.03 0.35 4.82 3.52 0.18 -2.72 118.95 123.32 3hkz s ARG 143 Ca 0.29 -0.72 0.04 0.00 -0.13 0.00 0.00 55.73 55.22 3hkz s ARG 143 Cb 0.07 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 31.16 3hkz s ARG 143 CO 0.14 -0.37 0.17 0.00 -0.81 0.00 0.00 175.30 174.43 3hkz s ALA 144 N 1.45 2.36 -0.08 6.12 0.00 0.64 -1.06 121.76 131.20 3hkz s ALA 144 Ca 0.01 -1.60 -0.08 0.00 0.00 0.00 0.00 51.96 50.28 3hkz s ALA 144 Cb -0.15 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.03 3hkz s ALA 144 CO -0.09 -0.46 0.23 0.50 0.00 0.00 0.00 175.76 175.94 3hkz s ARG 145 N -3.70 0.29 0.98 0.00 3.52 -1.17 0.24 118.95 119.10 3hkz s ARG 145 Ca 0.32 0.28 -0.11 0.00 -0.13 0.00 0.00 55.73 56.08 3hkz s ARG 145 Cb 0.03 0.14 0.18 0.00 -1.56 0.00 0.00 34.95 33.74 3hkz s ARG 145 CO 0.18 -0.04 1.09 0.08 -0.81 0.00 0.00 175.30 175.81 3hkz s VAL 146 N 0.02 2.28 0.00 7.11 1.01 -0.97 -0.98 120.40 128.87 3hkz s VAL 146 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.06 3hkz s VAL 146 Cb -0.02 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 34.10 3hkz s VAL 146 CO 0.00 -0.12 0.00 -0.38 0.00 0.00 0.00 175.10 174.60 3hkz n ILE 147 N -4.31 0.00 -3.60 2.22 5.41 -1.13 -4.62 119.36 113.33 3hkz n ILE 147 Ca 0.08 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.67 3hkz n ILE 147 Cb 0.53 -0.21 -0.07 0.00 -0.71 0.00 0.00 39.64 39.19 3hkz n ILE 147 CO 0.00 0.00 0.00 -0.94 0.00 0.00 0.00 176.55 175.61 3hkz s SER 148 N -2.77 -0.61 -0.19 4.38 1.04 -1.26 -4.92 113.70 109.37 3hkz s SER 148 Ca 0.00 0.85 -0.18 0.00 0.48 0.00 0.00 55.95 57.10 3hkz s SER 148 Cb 0.00 0.79 0.05 0.00 0.10 0.00 0.00 66.02 66.96 3hkz s SER 148 CO 0.00 -0.46 0.52 -0.69 0.98 0.00 0.00 173.24 173.59 3hkz s VAL 149 N -0.67 -0.00 -0.51 5.02 1.01 -1.26 -0.88 120.40 123.10 3hkz s VAL 149 Ca -0.07 0.00 0.07 0.00 0.00 0.00 0.00 61.98 61.97 3hkz s VAL 149 Cb -0.02 -0.72 0.20 0.00 0.00 0.00 0.00 36.38 35.84 3hkz s VAL 149 CO 0.06 0.00 0.77 0.00 0.00 0.00 0.00 175.10 175.93 3hkz n ALA 150 N 2.85 -1.83 -1.30 5.51 0.00 -1.26 -5.09 120.51 119.40 3hkz n ALA 150 Ca -0.14 -1.08 -0.31 0.00 0.00 0.00 0.00 53.44 51.91 3hkz n ALA 150 Cb 0.56 -1.49 0.09 0.00 0.00 0.00 0.00 19.45 18.61 3hkz n ALA 150 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hkz s SER 151 N 0.33 4.49 0.02 0.00 1.04 -1.26 -4.95 113.70 113.37 3hkz s SER 151 Ca 0.30 1.74 0.03 0.00 0.48 0.00 0.00 55.95 58.50 3hkz s SER 151 Cb 0.05 -2.46 -0.03 0.00 0.10 0.00 0.00 66.02 63.68 3hkz s SER 151 CO -0.09 -2.03 -0.06 -0.89 0.98 0.00 0.00 173.24 171.15 3hkz s THR 152 N -2.93 3.72 0.00 2.02 2.01 -1.26 -5.12 115.64 114.07 3hkz s THR 152 Ca 0.61 -0.80 -0.17 0.00 0.31 0.00 0.00 61.69 61.63 3hkz s THR 152 Cb -0.17 -2.64 -0.21 0.00 0.01 0.00 0.00 72.50 69.49 3hkz s THR 152 CO 0.56 0.35 1.26 0.52 -0.69 0.00 0.00 174.62 176.62 3hkz n VAL 153 N 1.41 0.00 -3.60 3.82 0.31 -1.26 -5.05 118.33 113.95 3hkz n VAL 153 Ca -0.15 -0.03 -0.10 0.00 -0.01 0.00 0.00 64.34 64.05 3hkz n VAL 153 Cb 0.52 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.80 3hkz n VAL 153 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 3hkz s PRO 158 N 5.85 1.39 -0.20 5.55 0.02 -1.26 -4.88 135.00 141.46 3hkz s PRO 158 Ca 0.39 -0.68 -0.04 0.00 0.02 0.00 0.00 61.00 60.68 3hkz s PRO 158 Cb 0.08 0.57 0.07 0.00 0.02 0.00 0.00 34.50 35.24 3hkz s PRO 158 CO 0.20 -0.61 0.07 0.50 -0.33 0.00 0.00 177.00 176.83 3hkz s ARG 159 N -3.82 0.36 -0.25 5.54 3.52 -1.26 -4.96 118.95 118.09 3hkz s ARG 159 Ca 0.05 -0.32 -0.14 0.00 -0.13 0.00 0.00 55.73 55.19 3hkz s ARG 159 Cb -0.02 -1.91 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 3hkz s ARG 159 CO -0.07 -0.70 0.32 0.42 -0.81 0.00 0.00 175.30 174.46 3hkz s ILE 160 N 1.99 5.23 0.36 4.11 1.01 -1.26 -4.40 121.20 128.24 3hkz s ILE 160 Ca 0.02 0.48 -0.14 0.00 0.00 0.00 0.00 60.65 61.01 3hkz s ILE 160 Cb -0.17 -3.65 -0.08 0.00 0.01 0.00 0.00 42.46 38.57 3hkz s ILE 160 CO -0.12 0.23 0.77 0.00 0.00 0.00 0.00 174.94 175.82 3hkz s ALA 161 N 1.66 3.30 -0.01 9.38 0.00 -0.06 -2.64 121.76 133.39 3hkz s ALA 161 Ca 0.14 0.01 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 3hkz s ALA 161 Cb -0.15 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.18 3hkz s ALA 161 CO 0.09 0.20 0.06 -0.51 0.00 0.00 0.00 175.76 175.60 3hkz s LEU 162 N -3.28 1.82 0.26 0.00 1.43 -0.36 -2.86 118.68 115.70 3hkz s LEU 162 Ca 0.54 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.53 3hkz s LEU 162 Cb -0.10 0.32 -0.05 0.00 0.03 0.00 0.00 46.19 46.39 3hkz s LEU 162 CO 0.21 -0.19 0.07 0.28 0.23 0.00 0.00 176.35 176.95 3hkz s THR 163 N -0.76 0.73 0.00 5.49 -1.32 -0.16 -3.96 115.64 115.67 3hkz s THR 163 Ca -0.08 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.39 3hkz s THR 163 Cb -0.05 -2.59 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 3hkz s THR 163 CO 0.00 -0.07 0.26 0.23 -2.21 0.00 0.00 174.62 172.82 3hkz n MET 164 N -0.48 0.00 0.06 7.08 2.81 -1.23 -3.07 117.12 122.29 3hkz n MET 164 Ca -0.01 -0.26 0.12 0.00 -1.81 0.00 0.00 57.70 55.74 3hkz n MET 164 Cb 0.66 -0.30 0.46 0.00 -0.71 0.00 0.00 33.22 33.33 3hkz n MET 164 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3hkz n ARG 165 N 0.00 0.12 -2.72 0.03 5.12 -1.26 -4.45 116.66 113.51 3hkz n ARG 165 Ca 0.00 0.22 -0.41 0.00 -1.93 0.00 0.00 57.85 55.73 3hkz n ARG 165 Cb 0.46 -1.68 -0.05 0.00 -1.16 0.00 0.00 32.46 30.04 3hkz n ARG 165 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hkz s GLN 166 N -3.11 4.72 0.02 5.56 -0.21 -1.26 -4.96 119.66 120.41 3hkz s GLN 166 Ca 0.09 1.47 -0.27 0.00 0.02 0.00 0.00 55.36 56.67 3hkz s GLN 166 Cb 0.13 -3.36 -0.14 0.00 1.00 0.00 0.00 33.01 30.64 3hkz s GLN 166 CO 0.46 0.25 0.71 -2.30 -2.12 0.00 0.00 175.29 172.29 3hkz n PRO 167 N 2.59 0.00 -0.99 2.91 -0.02 -1.26 -2.91 135.00 135.31 3hkz n PRO 167 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 3hkz n PRO 167 Cb 0.49 -1.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.95 3hkz n PRO 167 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hkz n TYR 168 N 0.94 0.00 -3.87 6.00 4.02 -1.26 -5.03 117.16 117.96 3hkz n TYR 168 Ca 0.14 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.68 3hkz n TYR 168 Cb 0.07 -0.34 -0.09 0.00 -0.02 0.00 0.00 39.34 38.96 3hkz n TYR 168 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hkz s LEU 169 N 0.00 4.04 0.00 7.72 1.43 -1.15 -4.97 118.68 125.76 3hkz s LEU 169 Ca 0.00 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.28 3hkz s LEU 169 Cb 0.00 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3hkz s LEU 169 CO 0.00 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.38 3hkz n GLY 170 N 3.41 -0.56 3.76 -3.19 0.00 -0.22 -4.76 105.19 103.64 3hkz n GLY 170 Ca -0.16 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 3hkz n GLY 170 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkz s LYS 171 N -1.62 4.30 0.18 1.61 2.20 -1.26 0.51 119.74 125.66 3hkz s LYS 171 Ca 0.00 2.26 -0.16 0.00 -0.36 0.00 0.00 55.97 57.72 3hkz s LYS 171 Cb 0.00 -3.09 0.13 0.00 -1.51 0.00 0.00 37.83 33.36 3hkz s LYS 171 CO 0.00 -0.32 1.67 -0.07 -0.36 0.00 0.00 175.35 176.27 3hkz h LEU 172 N 4.25 -0.37 0.00 5.43 3.38 -1.77 -0.88 115.31 125.35 3hkz h LEU 172 Ca -0.47 0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3hkz h LEU 172 Cb 1.22 0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.23 3hkz h LEU 172 CO 0.72 -0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.50 3hkz n GLU 173 N -5.31 0.24 0.00 1.13 1.02 -1.26 -2.24 120.64 114.22 3hkz n GLU 173 Ca 0.03 0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.37 3hkz n GLU 173 Cb 0.24 -1.50 0.37 0.00 -0.02 0.00 0.00 31.44 30.53 3hkz n GLU 173 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3hkz n TRP 174 N -1.36 0.00 -0.03 -0.32 5.03 -0.35 -3.93 117.44 116.48 3hkz n TRP 174 Ca 0.10 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.63 3hkz n TRP 174 Cb 0.23 -0.04 0.00 0.00 -1.03 0.00 0.00 31.31 30.47 3hkz n TRP 174 CO 0.00 0.00 0.00 -0.89 -0.03 0.00 0.00 177.69 176.77 3hkz n ILE 175 N 0.06 0.00 0.27 -0.99 5.41 -0.95 -4.25 119.36 118.91 3hkz n ILE 175 Ca 0.15 -0.46 0.14 0.00 1.00 0.00 0.00 62.75 63.58 3hkz n ILE 175 Cb 0.40 1.03 0.33 0.00 -0.71 0.00 0.00 39.64 40.69 3hkz n ILE 175 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 3hkz h THR 176 N 0.03 0.00 -0.72 1.39 2.02 -1.65 -3.14 112.91 110.83 3hkz h THR 176 Ca 0.00 -0.82 -0.41 0.00 0.77 0.00 0.00 66.41 65.95 3hkz h THR 176 Cb 0.02 1.81 -0.24 0.00 -1.74 0.00 0.00 68.15 68.00 3hkz h THR 176 CO 0.00 0.00 0.28 0.00 0.37 0.00 0.00 175.52 176.17 3hkz n GLN 177 N -3.02 2.25 -0.06 6.66 3.00 -1.25 -4.53 117.38 120.43 3hkz n GLN 177 Ca 0.03 -3.22 -0.08 0.00 -0.01 0.00 0.00 57.00 53.72 3hkz n GLN 177 Cb 0.46 -2.06 -0.05 0.00 0.00 0.00 0.00 30.24 28.59 3hkz n GLN 177 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3hkz n THR 178 N -1.07 0.63 -3.06 5.09 -1.04 -1.19 -4.82 114.28 108.83 3hkz n THR 178 Ca 0.49 -0.23 -0.41 0.00 -2.04 0.00 0.00 64.05 61.86 3hkz n THR 178 Cb 1.21 -0.97 -0.00 0.00 -1.82 0.00 0.00 70.33 68.74 3hkz n THR 178 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3hkz n LYS 179 N -2.90 4.21 0.00 -2.82 5.02 -1.26 -5.12 118.16 115.29 3hkz n LYS 179 Ca -0.20 -4.58 0.00 0.00 -2.02 0.00 0.00 58.31 51.51 3hkz n LYS 179 Cb 0.70 -2.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3hkz n LYS 179 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51