#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hka s PRO 2 N 0.00 4.30 0.20 3.49 0.02 -1.26 -1.45 135.00 140.30 2hka s PRO 2 Ca 0.00 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.23 2hka s PRO 2 Cb 0.00 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.47 2hka s PRO 2 CO 0.00 -0.20 -0.17 0.14 -0.33 0.00 0.00 177.00 176.45 2hka s VAL 3 N -1.19 1.86 0.22 3.83 -7.23 -0.15 -4.90 120.40 112.84 2hka s VAL 3 Ca 0.50 -2.12 -0.30 0.00 -1.81 0.00 0.00 61.98 58.25 2hka s VAL 3 Cb -0.38 -2.00 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 2hka s VAL 3 CO 0.50 -0.47 1.06 -0.54 -0.31 0.00 0.00 175.10 175.34 2hka s LYS 4 N -3.31 4.66 0.15 4.82 -0.14 -1.26 -4.62 119.74 120.04 2hka s LYS 4 Ca 0.21 1.69 -0.06 0.00 -1.36 0.00 0.00 55.97 56.45 2hka s LYS 4 Cb -0.03 -3.26 -0.02 0.00 -1.68 0.00 0.00 37.83 32.84 2hka s LYS 4 CO 0.08 0.21 0.19 -0.59 -0.76 0.00 0.00 175.35 174.48 2hka s PHE 5 N -0.69 0.59 -0.11 3.18 -0.12 -1.26 -4.82 117.98 114.75 2hka s PHE 5 Ca 0.46 -0.96 -0.00 0.00 -0.05 0.00 0.00 56.93 56.38 2hka s PHE 5 Cb -0.29 -0.23 -0.02 0.00 -0.63 0.00 0.00 43.02 41.85 2hka s PHE 5 CO 0.36 -0.64 -0.10 0.21 -0.05 0.00 0.00 175.22 175.00 2hka s LYS 6 N -4.00 3.19 -0.28 1.99 2.20 -0.76 -4.94 119.74 117.15 2hka s LYS 6 Ca 0.20 -0.63 -0.28 0.00 -0.36 0.00 0.00 55.97 54.90 2hka s LYS 6 Cb 0.05 -2.64 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2hka s LYS 6 CO 0.01 0.36 1.01 0.34 -0.36 0.00 0.00 175.35 176.71 2hka s ASP 7 N -0.03 6.96 -0.12 1.43 -1.08 -1.26 -1.00 116.67 121.58 2hka s ASP 7 Ca -0.02 1.14 0.15 0.00 -0.52 0.00 0.00 52.55 53.30 2hka s ASP 7 Cb -0.14 -2.52 0.64 0.00 -1.46 0.00 0.00 42.92 39.44 2hka s ASP 7 CO 0.04 -0.74 1.52 0.00 0.52 0.00 0.00 175.17 176.51 2hka n GLY 9 N 0.92 0.27 3.65 0.00 0.00 -1.25 -4.93 105.19 103.85 2hka n GLY 9 Ca 0.22 -0.06 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2hka n GLY 9 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hka s SER 10 N 0.00 7.01 -0.20 1.61 0.01 -1.26 -4.49 113.70 116.38 2hka s SER 10 Ca 0.00 1.35 -0.13 0.00 1.31 0.00 0.00 55.95 58.48 2hka s SER 10 Cb 0.00 -2.54 -0.08 0.00 0.21 0.00 0.00 66.02 63.61 2hka s SER 10 CO 0.00 -0.76 -0.30 1.87 0.41 0.00 0.00 173.24 174.47 2hka n TRP 11 N 6.57 0.00 -1.17 2.43 -0.00 -0.17 -4.68 117.44 120.42 2hka n TRP 11 Ca 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 57.50 57.57 2hka n TRP 11 Cb 0.46 -0.69 0.25 0.00 -0.00 0.00 0.00 31.31 31.34 2hka n TRP 11 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 177.69 179.02 2hka n VAL 12 N -4.12 2.76 -3.83 5.87 0.24 -0.02 -4.99 118.33 114.24 2hka n VAL 12 Ca -0.34 -2.01 -0.07 0.00 -2.04 0.00 0.00 64.34 59.88 2hka n VAL 12 Cb 0.69 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.72 2hka n VAL 12 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2hka s GLY 13 N -1.63 0.08 -0.04 7.63 0.00 -1.04 -1.29 107.32 111.03 2hka s GLY 13 Ca 0.50 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.81 2hka s GLY 13 CO 0.09 0.06 -0.03 0.14 0.00 0.00 0.00 173.10 173.36 2hka s VAL 14 N -3.08 0.44 -0.04 1.40 1.01 -0.41 -4.81 120.40 114.92 2hka s VAL 14 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.77 2hka s VAL 14 Cb -0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2hka s VAL 14 CO 0.08 0.21 0.96 -0.63 0.00 0.00 0.00 175.10 175.72 2hka s ILE 15 N 1.01 4.86 -0.22 2.22 1.01 -1.26 -0.81 121.20 128.01 2hka s ILE 15 Ca -0.10 2.00 0.09 0.00 0.00 0.00 0.00 60.65 62.65 2hka s ILE 15 Cb -0.14 -4.29 -0.21 0.00 0.01 0.00 0.00 42.46 37.82 2hka s ILE 15 CO -0.01 0.12 -0.03 0.29 0.00 0.00 0.00 174.94 175.32 2hka n LYS 16 N 4.21 0.67 -3.60 2.79 4.76 0.24 -4.97 118.16 122.27 2hka n LYS 16 Ca 0.06 0.09 -0.11 0.00 -2.87 0.00 0.00 58.31 55.48 2hka n LYS 16 Cb 0.50 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 32.09 2hka n LYS 16 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2hka s GLU 17 N -2.51 0.61 -0.22 1.97 2.12 -0.89 -4.97 118.70 114.81 2hka s GLU 17 Ca -0.22 0.41 0.02 0.00 0.36 0.00 0.00 54.97 55.54 2hka s GLU 17 Cb 0.07 0.29 0.04 0.00 0.26 0.00 0.00 34.13 34.80 2hka s GLU 17 CO 0.72 -0.14 -0.14 0.08 -0.54 0.00 0.00 175.26 175.25 2hka s VAL 18 N -0.42 2.00 -0.25 3.70 1.01 -1.26 -0.57 120.40 124.60 2hka s VAL 18 Ca -0.00 -1.25 -0.03 0.00 0.00 0.00 0.00 61.98 60.69 2hka s VAL 18 Cb -0.03 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2hka s VAL 18 CO -0.01 0.21 -0.03 0.21 0.00 0.00 0.00 175.10 175.48 2hka s ASN 19 N 1.24 4.48 -0.15 3.32 3.84 -0.36 -0.98 114.94 126.32 2hka s ASN 19 Ca -0.02 -0.70 -0.03 0.00 0.21 0.00 0.00 52.86 52.32 2hka s ASN 19 Cb -0.17 -1.73 -0.02 0.00 -0.55 0.00 0.00 41.25 38.78 2hka s ASN 19 CO -0.08 -0.11 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.36 2hka s VAL 20 N 1.41 3.63 -0.04 -5.21 1.01 -0.53 -0.68 120.40 120.00 2hka s VAL 20 Ca 0.02 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2hka s VAL 20 Cb -0.16 -2.58 0.01 0.00 0.00 0.00 0.00 36.38 33.65 2hka s VAL 20 CO -0.03 0.49 -0.07 -0.44 0.00 0.00 0.00 175.10 175.05 2hka s SER 21 N 0.45 1.14 0.04 3.32 0.01 -0.26 -1.00 113.70 117.40 2hka s SER 21 Ca -0.05 -0.17 -0.17 0.00 1.31 0.00 0.00 55.95 56.86 2hka s SER 21 Cb -0.15 -0.45 -0.06 0.00 0.21 0.00 0.00 66.02 65.57 2hka s SER 21 CO 0.03 0.01 0.50 -2.16 0.41 0.00 0.00 173.24 172.03 2hka s PRO 22 N 0.58 4.09 -0.45 12.44 0.04 -1.26 -1.06 135.00 149.38 2hka s PRO 22 Ca -0.09 0.59 0.06 0.00 0.04 0.00 0.00 61.00 61.60 2hka s PRO 22 Cb -0.12 -3.24 0.21 0.00 0.04 0.00 0.00 34.50 31.39 2hka s PRO 22 CO 0.01 0.64 0.58 0.00 0.04 0.00 0.00 177.00 178.27 2hka h PRO 24 N 4.76 0.23 -5.35 0.00 0.13 -1.97 -3.42 132.00 126.37 2hka h PRO 24 Ca 0.09 -0.08 -0.41 0.00 -0.87 0.00 0.00 66.00 64.73 2hka h PRO 24 Cb 0.97 -0.01 -0.21 0.00 0.13 0.00 0.00 31.00 31.88 2hka h PRO 24 CO 0.30 0.51 -0.77 0.95 -0.23 0.00 0.00 178.00 178.76 2hka s THR 25 N -4.37 1.16 0.08 1.56 -4.23 -1.26 -5.14 115.64 103.45 2hka s THR 25 Ca -0.05 -1.42 0.10 0.00 -1.18 0.00 0.00 61.69 59.14 2hka s THR 25 Cb 0.14 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.75 2hka s THR 25 CO 0.75 -0.29 -0.25 -1.10 -0.54 0.00 0.00 174.62 173.20 2hka s GLN 26 N -2.02 1.69 0.42 3.99 -0.21 -1.26 -3.50 119.66 118.77 2hka s GLN 26 Ca 0.01 -1.19 -0.26 0.00 0.02 0.00 0.00 55.36 53.94 2hka s GLN 26 Cb -0.08 -1.99 -0.09 0.00 1.00 0.00 0.00 33.01 31.84 2hka s GLN 26 CO 0.02 0.49 1.44 -2.14 -2.12 0.00 0.00 175.29 172.98 2hka s PRO 27 N -1.66 3.84 0.19 2.91 0.02 -1.26 -5.07 135.00 133.96 2hka s PRO 27 Ca 0.14 2.45 -0.33 0.00 0.02 0.00 0.00 61.00 63.28 2hka s PRO 27 Cb -0.10 -2.76 -0.13 0.00 0.02 0.00 0.00 34.50 31.53 2hka s PRO 27 CO 0.05 -0.71 1.65 0.00 -0.33 0.00 0.00 177.00 177.66 2hka s LYS 29 N 0.99 3.98 -0.45 0.00 -0.14 -1.26 -1.55 119.74 121.31 2hka s LYS 29 Ca 0.76 0.17 -0.11 0.00 -1.36 0.00 0.00 55.97 55.43 2hka s LYS 29 Cb -0.58 -3.68 0.09 0.00 -1.68 0.00 0.00 37.83 31.98 2hka s LYS 29 CO 0.35 -0.38 0.32 -0.51 -0.76 0.00 0.00 175.35 174.38 2hka s LEU 30 N 2.26 5.43 -0.01 3.17 1.43 0.12 -4.96 118.68 126.13 2hka s LEU 30 Ca 0.19 -1.55 -0.30 0.00 -1.03 0.00 0.00 54.13 51.44 2hka s LEU 30 Cb -0.16 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.98 2hka s LEU 30 CO 0.10 -0.61 0.98 -1.00 0.23 0.00 0.00 176.35 176.05 2hka s HIS 31 N 1.48 3.65 0.35 0.29 3.76 -1.26 -1.03 115.29 122.53 2hka s HIS 31 Ca 0.04 1.69 -0.28 0.00 -0.15 0.00 0.00 55.06 56.35 2hka s HIS 31 Cb -0.24 -3.12 -0.11 0.00 1.11 0.00 0.00 32.58 30.21 2hka s HIS 31 CO 0.03 -0.02 1.48 0.54 -0.85 0.00 0.00 174.74 175.92 2hka n ARG 32 N 3.97 2.60 0.00 1.40 1.74 0.30 -1.97 116.66 124.70 2hka n ARG 32 Ca 0.06 0.91 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 2hka n ARG 32 Cb 0.51 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 29.31 2hka n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2hka n GLY 33 N 0.87 2.56 3.83 -0.13 0.00 0.69 -4.94 105.19 108.06 2hka n GLY 33 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2hka n GLY 33 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hka s GLN 34 N -0.88 2.69 0.16 1.61 -1.52 -0.83 -4.87 119.66 116.00 2hka s GLN 34 Ca 0.00 -1.30 0.09 0.00 -1.95 0.00 0.00 55.36 52.20 2hka s GLN 34 Cb 0.00 -2.44 -0.04 0.00 -0.22 0.00 0.00 33.01 30.31 2hka s GLN 34 CO 0.00 0.14 -0.15 -1.12 -0.25 0.00 0.00 175.29 173.92 2hka s SER 35 N -3.94 4.00 -0.00 5.90 0.01 -1.26 -0.36 113.70 118.04 2hka s SER 35 Ca 0.39 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 57.06 2hka s SER 35 Cb -0.06 -0.59 -0.01 0.00 0.21 0.00 0.00 66.02 65.58 2hka s SER 35 CO 0.26 0.14 -0.08 -0.31 0.41 0.00 0.00 173.24 173.66 2hka s TYR 36 N -1.48 0.67 0.16 2.43 2.02 0.04 -4.65 117.35 116.54 2hka s TYR 36 Ca 0.22 -0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.83 2hka s TYR 36 Cb -0.09 -0.43 -0.04 0.00 -0.40 0.00 0.00 41.96 41.00 2hka s TYR 36 CO 0.12 -0.01 -0.01 -1.54 -1.57 0.00 0.00 175.55 172.54 2hka s SER 37 N -0.29 4.74 -0.01 2.29 1.04 -0.22 -0.83 113.70 120.41 2hka s SER 37 Ca 0.02 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.12 2hka s SER 37 Cb -0.03 -1.00 -0.01 0.00 0.10 0.00 0.00 66.02 65.07 2hka s SER 37 CO -0.00 0.10 -0.17 0.68 0.98 0.00 0.00 173.24 174.83 2hka s VAL 38 N -1.66 1.36 -0.22 5.02 -7.23 0.14 -1.10 120.40 116.73 2hka s VAL 38 Ca 0.27 -0.74 -0.02 0.00 -1.81 0.00 0.00 61.98 59.68 2hka s VAL 38 Cb -0.10 -1.13 0.07 0.00 0.56 0.00 0.00 36.38 35.78 2hka s VAL 38 CO 0.18 0.39 0.04 0.21 -0.31 0.00 0.00 175.10 175.60 2hka s ASN 39 N -0.40 3.16 -0.29 4.85 3.84 0.14 -2.06 114.94 124.18 2hka s ASN 39 Ca 0.07 -0.97 -0.08 0.00 0.21 0.00 0.00 52.86 52.08 2hka s ASN 39 Cb -0.07 -0.68 -0.01 0.00 -0.55 0.00 0.00 41.25 39.95 2hka s ASN 39 CO -0.01 -0.32 0.11 -0.69 -2.79 0.00 0.00 177.10 173.41 2hka s VAL 40 N 1.79 4.37 -0.25 -5.21 1.01 0.15 -1.23 120.40 121.04 2hka s VAL 40 Ca 0.00 -0.43 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2hka s VAL 40 Cb -0.17 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2hka s VAL 40 CO -0.11 0.14 0.44 -0.89 0.00 0.00 0.00 175.10 174.68 2hka s THR 41 N 1.59 5.13 0.04 3.92 2.01 0.26 -0.87 115.64 127.72 2hka s THR 41 Ca 0.05 0.74 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 2hka s THR 41 Cb -0.17 -3.76 -0.01 0.00 0.01 0.00 0.00 72.50 68.57 2hka s THR 41 CO 0.05 0.15 0.11 0.72 -0.69 0.00 0.00 174.62 174.95 2hka s PHE 42 N 2.01 0.19 -0.10 4.92 -0.71 -0.20 0.82 117.98 124.92 2hka s PHE 42 Ca 0.19 -0.50 -0.02 0.00 -1.04 0.00 0.00 56.93 55.56 2hka s PHE 42 Cb -0.16 -0.13 -0.03 0.00 -1.21 0.00 0.00 43.02 41.49 2hka s PHE 42 CO 0.09 -0.38 -0.01 0.99 -1.34 0.00 0.00 175.22 174.57 2hka s THR 43 N -2.67 4.18 -0.05 -4.49 2.01 0.01 0.09 115.64 114.72 2hka s THR 43 Ca -0.04 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.50 2hka s THR 43 Cb -0.01 -2.77 -0.05 0.00 0.01 0.00 0.00 72.50 69.68 2hka s THR 43 CO -0.05 0.57 0.47 -0.55 -0.69 0.00 0.00 174.62 174.38 2hka s SER 44 N -0.56 6.79 -0.17 3.53 0.15 -0.46 -1.29 113.70 121.69 2hka s SER 44 Ca 0.09 0.94 0.16 0.00 0.70 0.00 0.00 55.95 57.85 2hka s SER 44 Cb -0.12 -2.29 0.54 0.00 -1.71 0.00 0.00 66.02 62.44 2hka s SER 44 CO 0.02 0.15 1.44 0.59 1.20 0.00 0.00 173.24 176.64 2hka n ASN 45 N 2.76 3.97 -3.71 5.45 3.02 -0.41 0.13 115.26 126.47 2hka n ASN 45 Ca -0.10 -2.94 -0.10 0.00 -0.03 0.00 0.00 54.58 51.41 2hka n ASN 45 Cb 0.52 -0.54 -0.04 0.00 -0.61 0.00 0.00 39.78 39.11 2hka n ASN 45 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2hka s THR 46 N -2.69 0.04 0.13 3.41 -1.32 -1.25 -4.82 115.64 109.13 2hka s THR 46 Ca 0.42 -0.72 0.01 0.00 -1.21 0.00 0.00 61.69 60.19 2hka s THR 46 Cb 0.33 -1.45 -0.04 0.00 -1.51 0.00 0.00 72.50 69.83 2hka s THR 46 CO 0.10 -0.17 0.29 0.00 -2.21 0.00 0.00 174.62 172.63 2hka s GLN 47 N -3.85 3.47 -0.21 7.08 -2.07 -1.26 -3.35 119.66 119.46 2hka s GLN 47 Ca 0.08 -0.46 -0.27 0.00 -1.82 0.00 0.00 55.36 52.88 2hka s GLN 47 Cb 0.00 -2.95 0.09 0.00 -1.09 0.00 0.00 33.01 29.06 2hka s GLN 47 CO -0.06 0.52 0.85 0.45 -1.32 0.00 0.00 175.29 175.73 2hka s SER 48 N -2.95 -0.58 0.02 12.60 0.15 -0.25 -4.92 113.70 117.77 2hka s SER 48 Ca 0.36 0.96 0.11 0.00 0.70 0.00 0.00 55.95 58.08 2hka s SER 48 Cb -0.12 0.92 -0.21 0.00 -1.71 0.00 0.00 66.02 64.90 2hka s SER 48 CO 0.28 -0.31 0.88 -0.61 1.20 0.00 0.00 173.24 174.68 2hka h GLN 49 N 3.96 0.00 -4.99 5.44 -0.00 -1.95 0.19 115.11 117.76 2hka h GLN 49 Ca -0.27 0.00 -0.46 0.00 -0.00 0.00 0.00 58.65 57.93 2hka h GLN 49 Cb 1.16 0.00 -0.14 0.00 0.00 0.00 0.00 27.48 28.50 2hka h GLN 49 CO 0.18 0.63 -0.56 -1.54 0.00 0.00 0.00 178.83 177.54 2hka s SER 50 N -6.27 2.00 -0.13 -0.69 1.04 -1.26 -4.61 113.70 103.78 2hka s SER 50 Ca -0.03 -1.53 -0.22 0.00 0.48 0.00 0.00 55.95 54.65 2hka s SER 50 Cb 0.09 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.56 2hka s SER 50 CO 0.82 -0.83 0.54 -0.94 0.98 0.00 0.00 173.24 173.81 2hka s SER 51 N -3.45 -0.52 -0.02 7.02 1.04 -1.26 -3.95 113.70 112.56 2hka s SER 51 Ca 0.33 0.81 0.01 0.00 0.48 0.00 0.00 55.95 57.58 2hka s SER 51 Cb 0.05 0.81 0.01 0.00 0.10 0.00 0.00 66.02 66.99 2hka s SER 51 CO 0.16 -0.36 -0.04 -0.75 0.98 0.00 0.00 173.24 173.23 2hka s LYS 52 N -0.43 0.45 -0.02 4.02 2.20 -0.87 -1.46 119.74 123.63 2hka s LYS 52 Ca -0.06 -0.11 -0.13 0.00 -0.36 0.00 0.00 55.97 55.32 2hka s LYS 52 Cb -0.03 -0.47 -0.05 0.00 -1.51 0.00 0.00 37.83 35.76 2hka s LYS 52 CO 0.04 0.02 0.35 0.00 -0.36 0.00 0.00 175.35 175.41 2hka s ALA 53 N 0.30 3.74 -0.03 3.13 0.00 0.52 -0.66 121.76 128.76 2hka s ALA 53 Ca -0.03 -0.32 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2hka s ALA 53 Cb -0.07 -2.29 0.01 0.00 0.00 0.00 0.00 23.12 20.77 2hka s ALA 53 CO -0.00 0.52 -0.05 0.08 0.00 0.00 0.00 175.76 176.30 2hka s VAL 54 N -1.10 0.53 0.01 0.00 1.01 -0.15 -4.81 120.40 115.88 2hka s VAL 54 Ca 0.23 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 62.05 2hka s VAL 54 Cb -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 2hka s VAL 54 CO 0.12 0.19 -0.11 -0.69 0.00 0.00 0.00 175.10 174.61 2hka s VAL 55 N 0.41 0.89 0.06 2.92 1.01 -1.26 -0.40 120.40 124.02 2hka s VAL 55 Ca -0.05 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2hka s VAL 55 Cb -0.09 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2hka s VAL 55 CO -0.00 0.13 -0.11 -1.00 0.00 0.00 0.00 175.10 174.11 2hka s HIS 56 N -0.50 0.98 -0.20 5.22 3.76 -0.45 -0.37 115.29 123.74 2hka s HIS 56 Ca 0.02 -0.47 0.01 0.00 -0.15 0.00 0.00 55.06 54.48 2hka s HIS 56 Cb -0.06 -0.56 0.03 0.00 1.11 0.00 0.00 32.58 33.10 2hka s HIS 56 CO 0.00 -0.00 -0.16 0.20 -0.85 0.00 0.00 174.74 173.93 2hka s GLY 57 N -1.65 1.40 -0.44 -2.22 0.00 0.49 -1.19 107.32 103.71 2hka s GLY 57 Ca -0.05 -1.31 -0.25 0.00 0.00 0.00 0.00 44.72 43.11 2hka s GLY 57 CO 0.01 0.46 0.92 -0.42 0.00 0.00 0.00 173.10 174.08 2hka s ILE 58 N 1.29 4.49 -0.21 0.90 1.01 0.61 -0.94 121.20 128.35 2hka s ILE 58 Ca 0.01 0.83 -0.03 0.00 0.00 0.00 0.00 60.65 61.46 2hka s ILE 58 Cb -0.15 -4.41 -0.00 0.00 0.01 0.00 0.00 42.46 37.90 2hka s ILE 58 CO -0.10 -0.78 -0.08 -0.69 0.00 0.00 0.00 174.94 173.30 2hka s VAL 59 N 3.70 3.11 -1.40 2.92 1.01 0.28 -1.90 120.40 128.13 2hka s VAL 59 Ca 0.37 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.75 2hka s VAL 59 Cb -0.10 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.89 2hka s VAL 59 CO 0.25 0.45 0.13 0.23 0.00 0.00 0.00 175.10 176.16 2hka n MET 60 N 4.71 -2.53 -0.79 2.72 2.81 -1.26 -0.23 117.12 122.54 2hka n MET 60 Ca -0.19 0.77 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 2hka n MET 60 Cb 0.51 -5.44 0.00 0.00 -0.71 0.00 0.00 33.22 27.57 2hka n MET 60 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2hka n GLY 61 N -1.01 0.86 3.61 3.03 0.00 -1.26 -5.03 105.19 105.39 2hka n GLY 61 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 2hka n GLY 61 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hka s ILE 62 N -3.41 5.32 -0.07 -0.61 1.01 0.68 -5.05 121.20 119.06 2hka s ILE 62 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 2hka s ILE 62 Cb 0.00 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.92 2hka s ILE 62 CO 0.00 0.28 1.23 -2.16 0.00 0.00 0.00 174.94 174.28 2hka s PRO 63 N 1.57 4.32 -0.17 2.79 0.04 -1.26 -0.55 135.00 141.74 2hka s PRO 63 Ca 0.07 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.81 2hka s PRO 63 Cb -0.15 -3.60 0.01 0.00 0.04 0.00 0.00 34.50 30.80 2hka s PRO 63 CO 0.09 -0.51 -0.17 0.08 0.04 0.00 0.00 177.00 176.54 2hka s VAL 64 N 2.48 2.40 0.29 -0.36 1.01 -0.12 -4.94 120.40 121.17 2hka s VAL 64 Ca 0.56 -0.84 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 2hka s VAL 64 Cb -0.25 -2.02 -0.10 0.00 0.00 0.00 0.00 36.38 34.01 2hka s VAL 64 CO 0.21 0.52 1.45 -2.84 0.00 0.00 0.00 175.10 174.43 2hka s PRO 65 N 1.14 4.24 -0.29 2.72 0.02 -1.26 -0.37 135.00 141.20 2hka s PRO 65 Ca 0.01 2.37 0.02 0.00 0.02 0.00 0.00 61.00 63.42 2hka s PRO 65 Cb -0.14 -3.07 0.08 0.00 0.02 0.00 0.00 34.50 31.39 2hka s PRO 65 CO -0.07 -0.42 0.00 0.12 -0.33 0.00 0.00 177.00 176.30 2hka s PHE 66 N -0.38 2.91 0.08 6.54 5.36 0.50 -4.85 117.98 128.14 2hka s PHE 66 Ca 0.57 -2.30 -0.31 0.00 -0.96 0.00 0.00 56.93 53.93 2hka s PHE 66 Cb -0.43 -2.16 -0.08 0.00 -0.34 0.00 0.00 43.02 40.02 2hka s PHE 66 CO 0.49 -0.87 1.46 -2.14 -1.46 0.00 0.00 175.22 172.69 2hka s PRO 67 N 1.21 4.28 0.14 10.12 0.02 -1.26 -4.20 135.00 145.31 2hka s PRO 67 Ca 0.03 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.21 2hka s PRO 67 Cb -0.19 -3.38 -0.04 0.00 0.02 0.00 0.00 34.50 30.91 2hka s PRO 67 CO -0.10 -0.54 0.19 0.96 -0.33 0.00 0.00 177.00 177.18 2hka s ILE 68 N 1.71 4.86 0.00 2.83 -4.36 -1.26 -5.04 121.20 119.94 2hka s ILE 68 Ca 0.67 -0.86 0.00 0.00 -0.26 0.00 0.00 60.65 60.19 2hka s ILE 68 Cb -0.37 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 39.87 2hka s ILE 68 CO 0.30 -0.07 0.92 -2.65 0.24 0.00 0.00 174.94 173.68 2hka n PRO 69 N -0.31 0.00 -3.99 0.37 -0.02 -1.26 -4.25 135.00 125.53 2hka n PRO 69 Ca -0.08 0.92 -0.35 0.00 -2.02 0.00 0.00 63.50 61.97 2hka n PRO 69 Cb 0.54 -1.38 -0.14 0.00 -0.02 0.00 0.00 33.50 32.50 2hka n PRO 69 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2hka s GLU 70 N -2.99 3.35 0.00 -0.52 2.56 -1.26 -4.98 118.70 114.86 2hka s GLU 70 Ca 0.00 -0.64 0.20 0.00 0.00 0.00 0.00 54.97 54.53 2hka s GLU 70 Cb 0.00 -2.95 0.07 0.00 2.00 0.00 0.00 34.13 33.25 2hka s GLU 70 CO 0.00 -0.16 1.07 -1.13 -0.56 0.00 0.00 175.26 174.48 2hka n SER 71 N 4.67 2.26 -4.61 -1.70 3.41 -1.26 -4.91 113.62 111.48 2hka n SER 71 Ca -0.18 -1.63 -0.43 0.00 -0.26 0.00 0.00 58.87 56.36 2hka n SER 71 Cb 0.51 0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.70 2hka n SER 71 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2hka s ASP 72 N -2.03 6.73 0.35 4.04 -1.08 -1.26 -0.35 116.67 123.07 2hka s ASP 72 Ca 0.20 0.66 0.05 0.00 -0.52 0.00 0.00 52.55 52.95 2hka s ASP 72 Cb 0.17 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.73 2hka s ASP 72 CO 0.40 -1.12 1.89 1.23 0.52 0.00 0.00 175.17 178.09 2hka h GLY 73 N 10.81 0.50 1.37 2.66 0.00 -1.59 -1.97 103.07 114.85 2hka h GLY 73 Ca -0.22 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.81 2hka h GLY 73 CO 1.09 0.28 0.00 0.00 0.00 0.00 0.00 176.54 177.91 2hka n LYS 75 N -1.18 2.48 -2.06 0.00 5.02 -0.76 -4.50 118.16 117.17 2hka n LYS 75 Ca 0.11 -1.96 -0.21 0.00 -2.02 0.00 0.00 58.31 54.23 2hka n LYS 75 Cb 0.12 -1.23 0.03 0.00 -0.02 0.00 0.00 35.03 33.93 2hka n LYS 75 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2hka n SER 76 N -0.66 4.56 0.00 4.39 7.64 -0.28 -4.92 113.62 124.35 2hka n SER 76 Ca 0.07 -3.60 0.00 0.00 1.01 0.00 0.00 58.87 56.35 2hka n SER 76 Cb 0.42 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.27 2hka n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hka n GLY 77 N -0.71 0.71 3.59 0.23 0.00 -1.26 -0.96 105.19 106.80 2hka n GLY 77 Ca 0.40 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 2hka n GLY 77 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hka s ILE 78 N -2.81 4.82 -0.68 -0.61 1.01 -1.20 -4.55 121.20 117.18 2hka s ILE 78 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 60.65 60.43 2hka s ILE 78 Cb 0.00 -3.22 0.10 0.00 0.01 0.00 0.00 42.46 39.35 2hka s ILE 78 CO 0.00 0.39 0.89 -0.60 0.00 0.00 0.00 174.94 175.62 2hka s ARG 79 N 0.89 3.17 0.51 2.79 3.52 -1.26 -4.37 118.95 124.20 2hka s ARG 79 Ca 0.05 -1.20 -0.09 0.00 -0.13 0.00 0.00 55.73 54.36 2hka s ARG 79 Cb -0.14 -4.35 -0.05 0.00 -1.56 0.00 0.00 34.95 28.85 2hka s ARG 79 CO 0.03 -1.70 0.88 0.00 -0.81 0.00 0.00 175.30 173.70 2hka s PRO 81 N -4.62 3.27 0.11 0.00 0.02 -1.26 -5.13 135.00 127.38 2hka s PRO 81 Ca 0.52 1.95 -0.28 0.00 0.02 0.00 0.00 61.00 63.21 2hka s PRO 81 Cb -0.10 -2.19 -0.06 0.00 0.02 0.00 0.00 34.50 32.17 2hka s PRO 81 CO 0.43 -1.00 0.87 0.42 -0.33 0.00 0.00 177.00 177.39 2hka s ILE 82 N -1.48 4.52 0.23 2.83 1.01 0.67 -4.93 121.20 124.06 2hka s ILE 82 Ca 0.71 1.88 0.09 0.00 0.00 0.00 0.00 60.65 63.34 2hka s ILE 82 Cb -0.33 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 37.86 2hka s ILE 82 CO 0.39 0.37 -0.05 -1.61 0.00 0.00 0.00 174.94 174.04 2hka s GLU 83 N -0.26 2.16 0.34 2.79 0.41 -1.26 -1.09 118.70 121.79 2hka s GLU 83 Ca 0.42 -1.38 -0.29 0.00 -0.41 0.00 0.00 54.97 53.32 2hka s GLU 83 Cb -0.23 -2.14 -0.10 0.00 -1.78 0.00 0.00 34.13 29.88 2hka s GLU 83 CO 0.27 0.39 1.35 0.21 -0.49 0.00 0.00 175.26 177.00 2hka s LYS 84 N -3.32 4.29 0.00 1.61 2.20 -1.21 -2.81 119.74 120.50 2hka s LYS 84 Ca 0.29 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.20 2hka s LYS 84 Cb -0.07 -3.05 0.00 0.00 -1.51 0.00 0.00 37.83 33.20 2hka s LYS 84 CO 0.18 -0.28 0.00 -0.25 -0.36 0.00 0.00 175.35 174.64 2hka n ASP 85 N 0.76 -1.64 -4.86 1.43 8.00 0.34 -4.95 116.55 115.62 2hka n ASP 85 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.16 2hka n ASP 85 Cb 0.41 -1.62 -0.05 0.00 -0.02 0.00 0.00 41.12 39.83 2hka n ASP 85 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2hka s LYS 86 N -0.73 3.81 -0.09 -1.24 1.02 -1.12 -4.84 119.74 116.54 2hka s LYS 86 Ca 0.00 0.24 -0.12 0.00 0.02 0.00 0.00 55.97 56.11 2hka s LYS 86 Cb 0.00 -2.96 -0.05 0.00 -0.52 0.00 0.00 37.83 34.30 2hka s LYS 86 CO 0.00 0.53 0.28 0.99 -0.92 0.00 0.00 175.35 176.23 2hka s THR 87 N -1.44 5.27 0.24 2.17 2.01 -1.26 -1.36 115.64 121.27 2hka s THR 87 Ca 0.35 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.94 2hka s THR 87 Cb -0.14 -3.59 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2hka s THR 87 CO 0.19 0.53 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.31 2hka s TYR 88 N -0.55 1.64 -0.21 4.92 2.02 0.11 -4.98 117.35 120.30 2hka s TYR 88 Ca 0.18 -0.86 -0.02 0.00 -0.37 0.00 0.00 57.07 56.01 2hka s TYR 88 Cb -0.14 -0.94 0.06 0.00 -0.40 0.00 0.00 41.96 40.54 2hka s TYR 88 CO 0.07 0.05 0.01 -0.80 -1.57 0.00 0.00 175.55 173.30 2hka s ASN 89 N -3.33 3.27 -0.12 2.29 0.01 -1.26 -1.03 114.94 114.78 2hka s ASN 89 Ca 0.28 -0.97 -0.19 0.00 -0.71 0.00 0.00 52.86 51.26 2hka s ASN 89 Cb 0.05 -0.81 -0.04 0.00 0.41 0.00 0.00 41.25 40.86 2hka s ASN 89 CO 0.09 -0.28 0.54 -0.47 -1.51 0.00 0.00 177.10 175.46 2hka s TYR 90 N 1.69 3.51 0.01 2.20 6.14 -0.05 -4.11 117.35 126.74 2hka s TYR 90 Ca -0.02 0.96 0.03 0.00 0.64 0.00 0.00 57.07 58.68 2hka s TYR 90 Cb -0.18 -2.63 -0.01 0.00 0.42 0.00 0.00 41.96 39.56 2hka s TYR 90 CO -0.08 0.11 -0.11 0.08 0.64 0.00 0.00 175.55 176.20 2hka s VAL 91 N 0.81 0.84 0.11 3.14 1.01 -0.13 0.34 120.40 126.52 2hka s VAL 91 Ca 0.29 -0.62 -0.21 0.00 0.00 0.00 0.00 61.98 61.44 2hka s VAL 91 Cb -0.16 -0.74 0.06 0.00 0.00 0.00 0.00 36.38 35.54 2hka s VAL 91 CO 0.12 0.12 0.53 0.21 0.00 0.00 0.00 175.10 176.08 2hka s ASN 92 N -0.56 -0.45 -0.03 3.32 3.04 -0.87 -4.61 114.94 114.78 2hka s ASN 92 Ca 0.02 -0.02 -0.00 0.00 0.04 0.00 0.00 52.86 52.90 2hka s ASN 92 Cb -0.05 0.54 0.03 0.00 -1.54 0.00 0.00 41.25 40.22 2hka s ASN 92 CO 0.00 -0.86 0.03 -0.75 -3.04 0.00 0.00 177.10 172.48 2hka s LYS 93 N -3.35 0.03 0.08 0.43 2.20 -1.26 -0.68 119.74 117.19 2hka s LYS 93 Ca -0.00 0.22 0.08 0.00 -0.36 0.00 0.00 55.97 55.91 2hka s LYS 93 Cb -0.00 -0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 35.90 2hka s LYS 93 CO -0.09 -0.21 -0.22 -0.51 -0.36 0.00 0.00 175.35 173.96 2hka s LEU 94 N 1.39 2.25 0.23 5.43 1.43 -0.01 -4.93 118.68 124.47 2hka s LEU 94 Ca -0.05 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.30 2hka s LEU 94 Cb -0.13 -0.99 -0.08 0.00 0.03 0.00 0.00 46.19 45.03 2hka s LEU 94 CO -0.03 0.12 0.59 -2.16 0.23 0.00 0.00 176.35 175.10 2hka s PRO 95 N -1.65 3.88 -0.44 1.29 0.04 -1.26 -0.78 135.00 136.07 2hka s PRO 95 Ca 0.08 0.40 -0.16 0.00 0.04 0.00 0.00 61.00 61.36 2hka s PRO 95 Cb -0.10 -2.66 0.04 0.00 0.04 0.00 0.00 34.50 31.83 2hka s PRO 95 CO 0.04 0.32 0.38 0.08 0.04 0.00 0.00 177.00 177.86 2hka s VAL 96 N -1.78 5.20 0.40 -0.36 1.01 0.52 -4.96 120.40 120.43 2hka s VAL 96 Ca 0.47 -0.77 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 2hka s VAL 96 Cb -0.12 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 2hka s VAL 96 CO 0.20 -0.47 1.28 -0.54 0.00 0.00 0.00 175.10 175.57 2hka s LYS 97 N 1.80 4.00 0.54 2.72 1.02 -1.26 -0.22 119.74 128.33 2hka s LYS 97 Ca 0.06 2.11 0.34 0.00 0.02 0.00 0.00 55.97 58.50 2hka s LYS 97 Cb -0.21 -2.76 1.46 0.00 -0.52 0.00 0.00 37.83 35.80 2hka s LYS 97 CO 0.09 -0.45 2.00 -0.97 -0.92 0.00 0.00 175.35 175.11 2hka h ASN 98 N 2.71 0.00 1.44 2.83 -1.24 -1.96 -2.14 115.58 117.22 2hka h ASN 98 Ca -0.49 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.52 2hka h ASN 98 Cb 1.24 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.29 2hka h ASN 98 CO 0.63 0.00 0.00 1.05 -1.29 0.00 0.00 177.43 177.82 2hka h GLU 99 N 0.00 0.00 -6.86 6.67 4.11 -2.02 -3.45 114.58 113.03 2hka h GLU 99 Ca 0.00 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 58.90 2hka h GLU 99 Cb 0.44 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.76 2hka h GLU 99 CO 0.00 0.00 0.71 0.71 0.07 0.00 0.00 179.01 180.50 2hka s TYR 100 N -3.46 2.92 0.56 2.06 2.02 -0.81 -5.00 117.35 115.64 2hka s TYR 100 Ca 0.04 1.25 -0.12 0.00 -0.37 0.00 0.00 57.07 57.86 2hka s TYR 100 Cb 0.07 -3.81 -0.05 0.00 -0.40 0.00 0.00 41.96 37.77 2hka s TYR 100 CO 0.60 -2.37 0.98 -1.25 -1.57 0.00 0.00 175.55 171.93 2hka s PRO 101 N -1.49 3.73 -0.19 -1.71 0.04 -1.26 -5.00 135.00 129.11 2hka s PRO 101 Ca 0.53 0.76 -0.29 0.00 0.04 0.00 0.00 61.00 62.03 2hka s PRO 101 Cb -0.42 -2.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.96 2hka s PRO 101 CO 0.53 -0.40 1.26 -1.12 0.04 0.00 0.00 177.00 177.31 2hka s SER 102 N -3.72 6.90 -0.09 6.66 0.01 -1.26 -4.76 113.70 117.44 2hka s SER 102 Ca 0.55 1.59 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 2hka s SER 102 Cb -0.11 -2.54 0.12 0.00 0.21 0.00 0.00 66.02 63.70 2hka s SER 102 CO 0.44 -0.82 0.98 -0.51 0.41 0.00 0.00 173.24 173.74 2hka s ILE 103 N 3.65 0.00 0.06 1.44 2.07 -0.93 -4.98 121.20 122.51 2hka s ILE 103 Ca 0.54 0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.57 2hka s ILE 103 Cb -0.20 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.32 2hka s ILE 103 CO 0.16 0.00 0.63 -0.54 -1.91 0.00 0.00 174.94 173.28 2hka s LYS 104 N -2.24 4.33 0.00 3.50 1.02 -1.26 -1.27 119.74 123.83 2hka s LYS 104 Ca 0.03 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.86 2hka s LYS 104 Cb -0.01 -3.29 -0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2hka s LYS 104 CO -0.04 0.50 -0.01 0.08 -0.92 0.00 0.00 175.35 174.96 2hka s VAL 105 N -0.70 0.05 -0.35 3.17 1.01 -0.43 -4.54 120.40 118.61 2hka s VAL 105 Ca 0.32 -0.12 -0.14 0.00 0.00 0.00 0.00 61.98 62.04 2hka s VAL 105 Cb -0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 36.38 36.10 2hka s VAL 105 CO 0.20 -0.04 0.32 -0.69 0.00 0.00 0.00 175.10 174.89 2hka s VAL 106 N -0.16 5.21 -0.12 2.92 1.01 -0.80 -0.51 120.40 127.95 2hka s VAL 106 Ca -0.01 -0.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.67 2hka s VAL 106 Cb -0.01 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2hka s VAL 106 CO -0.00 -0.10 0.46 -0.69 0.00 0.00 0.00 175.10 174.77 2hka s VAL 107 N 1.89 5.19 -0.22 2.92 1.01 -0.07 -0.28 120.40 130.85 2hka s VAL 107 Ca 0.09 0.92 -0.00 0.00 0.00 0.00 0.00 61.98 62.99 2hka s VAL 107 Cb -0.17 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.43 2hka s VAL 107 CO 0.11 0.33 -0.13 -0.70 0.00 0.00 0.00 175.10 174.72 2hka s GLU 108 N 0.58 2.87 -0.12 2.72 2.12 -0.34 -1.70 118.70 124.84 2hka s GLU 108 Ca 0.25 -0.93 0.02 0.00 0.36 0.00 0.00 54.97 54.67 2hka s GLU 108 Cb -0.15 -2.79 -0.00 0.00 0.26 0.00 0.00 34.13 31.45 2hka s GLU 108 CO 0.10 -0.32 -0.20 -0.46 -0.54 0.00 0.00 175.26 173.84 2hka s TRP 109 N 1.29 2.67 0.15 5.30 -0.11 -0.52 -1.34 118.94 126.38 2hka s TRP 109 Ca 0.02 -0.96 0.03 0.00 1.22 0.00 0.00 56.10 56.41 2hka s TRP 109 Cb -0.15 -1.78 -0.05 0.00 -1.50 0.00 0.00 33.47 29.99 2hka s TRP 109 CO -0.08 -0.38 -0.07 -1.21 -4.62 0.00 0.00 176.95 170.59 2hka s GLU 110 N 0.44 1.06 -0.03 5.86 2.02 0.47 -2.07 118.70 126.44 2hka s GLU 110 Ca -0.14 -1.47 -0.01 0.00 0.02 0.00 0.00 54.97 53.37 2hka s GLU 110 Cb -0.17 -0.50 0.03 0.00 0.10 0.00 0.00 34.13 33.59 2hka s GLU 110 CO 0.06 0.01 0.04 -1.17 0.02 0.00 0.00 175.26 174.22 2hka s LEU 111 N -3.16 0.58 0.29 1.80 2.96 -0.90 -0.98 118.68 119.27 2hka s LEU 111 Ca 0.18 0.05 0.08 0.00 -0.22 0.00 0.00 54.13 54.23 2hka s LEU 111 Cb 0.04 -0.13 -0.04 0.00 0.50 0.00 0.00 46.19 46.56 2hka s LEU 111 CO 0.01 -0.19 0.12 0.42 -1.32 0.00 0.00 176.35 175.39 2hka s THR 112 N 1.68 3.56 0.00 3.68 -4.23 0.16 0.57 115.64 121.06 2hka s THR 112 Ca -0.01 -1.67 0.00 0.00 -1.18 0.00 0.00 61.69 58.83 2hka s THR 112 Cb -0.12 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.66 2hka s THR 112 CO -0.03 -0.29 0.00 -0.90 -0.54 0.00 0.00 174.62 172.86 2hka n ASP 113 N -1.09 0.00 -0.17 3.99 5.75 0.10 -2.04 116.55 123.09 2hka n ASP 113 Ca -0.05 -0.59 0.03 0.00 -0.01 0.00 0.00 54.79 54.17 2hka n ASP 113 Cb 0.59 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 41.00 2hka n ASP 113 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2hka h ASP 114 N 0.00 0.73 -0.38 -1.12 3.32 -1.88 -2.14 116.42 114.94 2hka h ASP 114 Ca 0.00 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 2hka h ASP 114 Cb 0.00 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2hka h ASP 114 CO 0.00 0.51 0.05 0.29 -1.72 0.00 0.00 179.24 178.37 2hka n LYS 115 N -4.45 3.16 -1.39 3.56 5.02 -1.26 -4.88 118.16 117.91 2hka n LYS 115 Ca 0.08 -1.90 -0.13 0.00 -2.02 0.00 0.00 58.31 54.34 2hka n LYS 115 Cb 0.11 -1.93 -0.06 0.00 -0.02 0.00 0.00 35.03 33.12 2hka n LYS 115 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2hka n ASN 116 N 0.26 -5.06 -4.86 4.39 4.05 -0.80 -4.98 115.26 108.25 2hka n ASN 116 Ca 0.20 0.33 -0.36 0.00 0.45 0.00 0.00 54.58 55.20 2hka n ASN 116 Cb 0.88 -3.75 -0.06 0.00 1.23 0.00 0.00 39.78 38.08 2hka n ASN 116 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 2hka s GLN 117 N -3.06 3.81 -0.06 1.20 -1.52 -1.26 -4.76 119.66 114.01 2hka s GLN 117 Ca 0.00 0.26 -0.29 0.00 -1.95 0.00 0.00 55.36 53.38 2hka s GLN 117 Cb 0.00 -3.07 -0.02 0.00 -0.22 0.00 0.00 33.01 29.70 2hka s GLN 117 CO 0.00 0.60 0.97 1.03 -0.25 0.00 0.00 175.29 177.64 2hka s ARG 118 N -1.62 4.48 0.06 2.91 0.52 -1.26 0.03 118.95 124.06 2hka s ARG 118 Ca 0.30 1.36 -0.17 0.00 -0.52 0.00 0.00 55.73 56.70 2hka s ARG 118 Cb -0.15 -3.50 -0.16 0.00 0.52 0.00 0.00 34.95 31.66 2hka s ARG 118 CO 0.16 -0.17 1.27 0.74 0.02 0.00 0.00 175.30 177.32 2hka h PHE 119 N 6.95 0.75 -3.29 -0.53 0.04 -0.17 0.47 116.94 121.15 2hka h PHE 119 Ca -0.36 -0.31 -0.06 0.00 2.80 0.00 0.00 57.97 60.04 2hka h PHE 119 Cb 1.18 -0.12 -0.14 0.00 2.20 0.00 0.00 35.95 39.07 2hka h PHE 119 CO 0.69 1.09 -0.07 -0.59 -0.60 0.00 0.00 178.31 178.83 2hka s PHE 120 N -3.80 -0.23 -0.21 -0.55 -0.12 -1.20 -2.48 117.98 109.38 2hka s PHE 120 Ca -0.12 -0.02 -0.08 0.00 -0.05 0.00 0.00 56.93 56.66 2hka s PHE 120 Cb 0.06 0.26 0.10 0.00 -0.63 0.00 0.00 43.02 42.81 2hka s PHE 120 CO 0.83 -0.68 0.46 0.00 -0.05 0.00 0.00 175.22 175.78 2hka s TRP 122 N 2.62 0.83 0.01 0.00 1.48 -0.88 -0.39 118.94 122.61 2hka s TRP 122 Ca -0.03 -0.68 0.02 0.00 -1.06 0.00 0.00 56.10 54.35 2hka s TRP 122 Cb -0.12 -0.48 -0.01 0.00 -1.16 0.00 0.00 33.47 31.70 2hka s TRP 122 CO -0.14 -0.09 -0.06 1.14 -4.06 0.00 0.00 176.95 173.74 2hka s GLN 123 N -2.62 0.45 0.02 3.25 -2.07 -0.17 -1.44 119.66 117.08 2hka s GLN 123 Ca 0.01 -0.35 -0.03 0.00 -1.82 0.00 0.00 55.36 53.16 2hka s GLN 123 Cb -0.03 -0.37 -0.01 0.00 -1.09 0.00 0.00 33.01 31.50 2hka s GLN 123 CO -0.02 0.09 0.05 0.96 -1.32 0.00 0.00 175.29 175.06 2hka s ILE 124 N -0.49 0.11 0.09 3.63 -4.36 -0.69 -1.83 121.20 117.67 2hka s ILE 124 Ca -0.02 -0.91 -0.19 0.00 -0.26 0.00 0.00 60.65 59.28 2hka s ILE 124 Cb -0.04 -0.48 -0.07 0.00 1.25 0.00 0.00 42.46 43.12 2hka s ILE 124 CO -0.00 -0.50 0.58 -2.16 0.24 0.00 0.00 174.94 173.10 2hka s PRO 125 N -1.74 4.19 0.23 0.37 0.04 -1.26 -0.89 135.00 135.94 2hka s PRO 125 Ca -0.13 0.73 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2hka s PRO 125 Cb -0.07 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.25 2hka s PRO 125 CO -0.01 0.60 0.13 0.96 0.04 0.00 0.00 177.00 178.73 2hka s ILE 126 N -1.18 0.16 -0.05 0.56 -5.25 0.33 -3.40 121.20 112.37 2hka s ILE 126 Ca 0.31 -2.00 -0.01 0.00 -0.99 0.00 0.00 60.65 57.96 2hka s ILE 126 Cb -0.19 -2.54 0.03 0.00 2.95 0.00 0.00 42.46 42.71 2hka s ILE 126 CO 0.19 0.00 0.02 -0.70 -1.79 0.00 0.00 174.94 172.66 2hka s GLU 127 N -4.06 0.33 -0.14 0.37 2.12 -0.60 -1.31 118.70 115.41 2hka s GLU 127 Ca 0.39 0.16 -0.23 0.00 0.36 0.00 0.00 54.97 55.65 2hka s GLU 127 Cb 0.07 -0.67 -0.03 0.00 0.26 0.00 0.00 34.13 33.76 2hka s GLU 127 CO 0.14 -0.24 0.70 0.08 -0.54 0.00 0.00 175.26 175.40 2hka s VAL 128 N 1.65 5.00 0.28 3.70 1.01 -0.40 0.12 120.40 131.76 2hka s VAL 128 Ca -0.01 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.40 2hka s VAL 128 Cb -0.13 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2hka s VAL 128 CO -0.03 0.15 0.21 -1.61 0.00 0.00 0.00 175.10 173.82 2hka s GLU 129 N 1.53 1.54 0.00 2.72 2.02 -0.20 -2.19 118.70 124.11 2hka s GLU 129 Ca 0.34 -1.87 0.13 0.00 0.02 0.00 0.00 54.97 53.60 2hka s GLU 129 Cb -0.17 0.26 0.77 0.00 0.10 0.00 0.00 34.13 35.09 2hka s GLU 129 CO 0.14 -0.53 1.19 0.00 0.02 0.00 0.00 175.26 176.08