#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 4.48 0.17 3.49 0.02 -1.26 -1.65 135.00 140.25 2hka s PRO 2 Ca 0.00 2.00 0.08 0.00 0.02 0.00 0.00 61.00 63.11 2hka s PRO 2 Cb 0.00 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 2hka s PRO 2 CO 0.00 -0.05 -0.18 0.14 -0.33 0.00 0.00 177.00 176.59 2hka s VAL 3 N -0.79 1.80 0.20 3.83 -7.23 -0.30 -4.93 120.40 112.98 2hka s VAL 3 Ca 0.49 -1.96 -0.30 0.00 -1.81 0.00 0.00 61.98 58.41 2hka s VAL 3 Cb -0.36 -1.86 -0.08 0.00 0.56 0.00 0.00 36.38 34.64 2hka s VAL 3 CO 0.44 -0.36 1.16 -0.75 -0.31 0.00 0.00 175.10 175.29 2hka s LYS 4 N -2.91 4.54 0.13 4.82 2.20 -1.26 -4.61 119.74 122.64 2hka s LYS 4 Ca 0.17 1.83 -0.03 0.00 -0.36 0.00 0.00 55.97 57.58 2hka s LYS 4 Cb -0.05 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 2hka s LYS 4 CO 0.07 -0.00 0.11 -0.59 -0.36 0.00 0.00 175.35 174.57 2hka s PHE 5 N -0.30 0.67 -0.11 4.03 -0.12 -1.26 -4.81 117.98 116.07 2hka s PHE 5 Ca 0.50 -1.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.32 2hka s PHE 5 Cb -0.32 -0.34 -0.02 0.00 -0.63 0.00 0.00 43.02 41.71 2hka s PHE 5 CO 0.37 -0.55 -0.13 0.21 -0.05 0.00 0.00 175.22 175.07 2hka s LYS 6 N -4.00 3.20 -0.11 1.99 2.20 -0.40 -4.95 119.74 117.67 2hka s LYS 6 Ca 0.19 -0.68 -0.25 0.00 -0.36 0.00 0.00 55.97 54.87 2hka s LYS 6 Cb 0.06 -2.59 -0.02 0.00 -1.51 0.00 0.00 37.83 33.77 2hka s LYS 6 CO -0.01 0.31 0.81 0.34 -0.36 0.00 0.00 175.35 176.44 2hka s ASP 7 N 0.10 7.03 -0.09 1.43 -1.08 -1.26 -0.48 116.67 122.31 2hka s ASP 7 Ca -0.06 1.25 0.19 0.00 -0.52 0.00 0.00 52.55 53.41 2hka s ASP 7 Cb -0.15 -2.46 0.67 0.00 -1.46 0.00 0.00 42.92 39.53 2hka s ASP 7 CO 0.04 -0.28 1.58 0.00 0.52 0.00 0.00 175.17 177.03 2hka n GLY 9 N 1.11 0.36 3.70 0.00 0.00 -1.25 -4.95 105.19 104.16 2hka n GLY 9 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2hka n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2hka n SER 10 N 0.00 3.77 0.00 1.61 7.64 -1.26 -4.73 113.62 120.65 2hka n SER 10 Ca 0.00 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 2hka n SER 10 Cb 0.00 -1.54 0.00 0.00 -1.01 0.00 0.00 64.21 61.66 2hka n SER 10 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2hka n TRP 11 N 3.90 0.00 -0.98 1.43 -0.00 -0.41 -4.79 117.44 116.58 2hka n TRP 11 Ca 0.16 0.00 0.03 0.00 -0.00 0.00 0.00 57.50 57.70 2hka n TRP 11 Cb 0.33 0.10 0.35 0.00 -0.00 0.00 0.00 31.31 32.10 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 -2.73 2.75 -3.56 5.87 0.24 -0.11 -4.94 118.33 115.85 2hka n VAL 12 Ca 0.00 -1.58 -0.11 0.00 -2.04 0.00 0.00 64.34 60.61 2hka n VAL 12 Cb 0.37 -0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.41 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 -1.09 -0.41 -0.11 7.63 0.00 -1.08 -0.12 107.32 112.14 2hka s GLY 13 Ca 0.53 0.19 0.01 0.00 0.00 0.00 0.00 44.72 45.45 2hka s GLY 13 CO 0.14 -0.02 -0.13 0.14 0.00 0.00 0.00 173.10 173.22 2hka s VAL 14 N -3.80 1.36 0.00 1.40 1.01 0.26 -4.77 120.40 115.87 2hka s VAL 14 Ca 0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 2hka s VAL 14 Cb -0.01 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 2hka s VAL 14 CO -0.09 0.42 1.00 -0.63 0.00 0.00 0.00 175.10 175.80 2hka s ILE 15 N 1.12 4.79 -0.23 2.22 1.01 -1.26 -0.75 121.20 128.11 2hka s ILE 15 Ca -0.04 2.00 0.08 0.00 0.00 0.00 0.00 60.65 62.69 2hka s ILE 15 Cb -0.14 -4.28 -0.19 0.00 0.01 0.00 0.00 42.46 37.85 2hka s ILE 15 CO -0.03 0.15 -0.11 0.29 0.00 0.00 0.00 174.94 175.24 2hka n LYS 16 N 3.94 0.71 -3.60 2.79 4.76 0.63 -4.97 118.16 122.41 2hka n LYS 16 Ca 0.06 0.08 -0.11 0.00 -2.87 0.00 0.00 58.31 55.47 2hka n LYS 16 Cb 0.50 -1.50 -0.06 0.00 -1.84 0.00 0.00 35.03 32.14 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 -2.48 0.64 -0.24 1.97 2.12 -0.94 -4.99 118.70 114.77 2hka s GLU 17 Ca -0.24 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.55 2hka s GLU 17 Cb 0.07 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.82 2hka s GLU 17 CO 0.66 -0.14 -0.12 0.08 -0.54 0.00 0.00 175.26 175.20 2hka s VAL 18 N -0.40 2.24 -0.22 3.70 1.01 -1.26 -0.86 120.40 124.60 2hka s VAL 18 Ca -0.01 -1.41 -0.02 0.00 0.00 0.00 0.00 61.98 60.54 2hka s VAL 18 Cb -0.03 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2hka s VAL 18 CO -0.01 0.12 -0.08 0.21 0.00 0.00 0.00 175.10 175.34 2hka s ASN 19 N 1.17 4.07 -0.13 3.32 3.84 0.35 -1.15 114.94 126.41 2hka s ASN 19 Ca -0.05 -0.58 0.01 0.00 0.21 0.00 0.00 52.86 52.45 2hka s ASN 19 Cb -0.18 -1.67 -0.01 0.00 -0.55 0.00 0.00 41.25 38.84 2hka s ASN 19 CO -0.07 -0.05 -0.16 -0.69 -2.79 0.00 0.00 177.10 173.34 2hka s VAL 20 N 1.40 2.73 -0.01 -5.21 1.01 -0.66 -0.27 120.40 119.40 2hka s VAL 20 Ca 0.04 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2hka s VAL 20 Cb -0.15 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 2hka s VAL 20 CO -0.06 0.53 -0.04 -0.44 0.00 0.00 0.00 175.10 175.09 2hka s SER 21 N 0.46 0.53 0.03 3.32 0.01 -0.23 -1.22 113.70 116.59 2hka s SER 21 Ca -0.11 -0.08 -0.24 0.00 1.31 0.00 0.00 55.95 56.83 2hka s SER 21 Cb -0.16 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.94 2hka s SER 21 CO 0.05 0.05 0.72 -2.16 0.41 0.00 0.00 173.24 172.31 2hka s PRO 22 N -0.04 4.45 -0.44 12.44 0.04 -1.26 -0.72 135.00 149.46 2hka s PRO 22 Ca 0.01 0.98 0.06 0.00 0.04 0.00 0.00 61.00 62.09 2hka s PRO 22 Cb -0.02 -3.36 0.21 0.00 0.04 0.00 0.00 34.50 31.36 2hka s PRO 22 CO -0.00 0.30 0.56 0.00 0.04 0.00 0.00 177.00 177.91 2hka h PRO 24 N 4.80 0.00 -4.33 0.00 0.13 -1.97 -3.42 132.00 127.21 2hka h PRO 24 Ca 0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 65.05 2hka h PRO 24 Cb 0.97 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 2hka h PRO 24 CO 0.31 0.22 -0.70 0.95 -0.23 0.00 0.00 178.00 178.54 2hka s THR 25 N -4.12 0.36 0.17 1.56 -4.23 -1.26 -5.15 115.64 102.98 2hka s THR 25 Ca -0.02 -1.49 0.10 0.00 -1.18 0.00 0.00 61.69 59.09 2hka s THR 25 Cb 0.13 -1.09 -0.04 0.00 1.34 0.00 0.00 72.50 72.84 2hka s THR 25 CO 0.64 -0.74 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.67 2hka s GLN 26 N -2.89 1.38 0.40 3.99 -0.21 -1.26 -3.63 119.66 117.43 2hka s GLN 26 Ca -0.00 -1.45 -0.27 0.00 0.02 0.00 0.00 55.36 53.65 2hka s GLN 26 Cb -0.00 -1.57 -0.10 0.00 1.00 0.00 0.00 33.01 32.34 2hka s GLN 26 CO -0.05 0.33 1.46 -2.14 -2.12 0.00 0.00 175.29 172.77 2hka s PRO 27 N -2.69 3.99 0.18 2.91 0.02 -1.26 -5.06 135.00 133.09 2hka s PRO 27 Ca 0.17 2.50 -0.33 0.00 0.02 0.00 0.00 61.00 63.36 2hka s PRO 27 Cb -0.07 -2.87 -0.15 0.00 0.02 0.00 0.00 34.50 31.43 2hka s PRO 27 CO 0.08 -0.60 1.36 0.00 -0.33 0.00 0.00 177.00 177.50 2hka s LYS 29 N -0.02 3.99 -0.14 0.00 1.02 -1.26 -1.24 119.74 122.09 2hka s LYS 29 Ca 0.74 -0.31 -0.01 0.00 0.02 0.00 0.00 55.97 56.42 2hka s LYS 29 Cb -0.76 -3.55 -0.02 0.00 -0.52 0.00 0.00 37.83 32.98 2hka s LYS 29 CO 0.48 -0.03 -0.11 -0.51 -0.92 0.00 0.00 175.35 174.26 2hka s LEU 30 N 1.30 2.80 0.04 3.17 1.43 0.78 -4.94 118.68 123.25 2hka s LEU 30 Ca 0.07 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 2hka s LEU 30 Cb -0.14 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.38 2hka s LEU 30 CO 0.06 0.15 0.71 -1.00 0.23 0.00 0.00 176.35 176.50 2hka s HIS 31 N 0.47 3.73 0.23 0.29 3.76 -1.26 -1.59 115.29 120.92 2hka s HIS 31 Ca -0.08 1.39 -0.31 0.00 -0.15 0.00 0.00 55.06 55.91 2hka s HIS 31 Cb -0.15 -2.74 -0.11 0.00 1.11 0.00 0.00 32.58 30.68 2hka s HIS 31 CO 0.04 0.32 1.62 1.03 -0.85 0.00 0.00 174.74 176.90 2hka s ARG 32 N -0.17 4.15 0.00 1.40 0.52 0.53 -1.56 118.95 123.82 2hka s ARG 32 Ca 0.36 2.52 0.00 0.00 -0.52 0.00 0.00 55.73 58.09 2hka s ARG 32 Cb -0.20 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.20 2hka s ARG 32 CO 0.21 -0.65 0.00 0.41 0.02 0.00 0.00 175.30 175.29 2hka n GLY 33 N 3.12 0.41 3.71 -3.53 0.00 0.19 -4.76 105.19 104.34 2hka n GLY 33 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.87 2hka n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hka s GLN 34 N -0.88 2.59 0.04 1.61 0.74 -0.60 -4.91 119.66 118.25 2hka s GLN 34 Ca 0.00 -0.97 0.07 0.00 0.05 0.00 0.00 55.36 54.50 2hka s GLN 34 Cb 0.00 -2.49 -0.03 0.00 1.10 0.00 0.00 33.01 31.59 2hka s GLN 34 CO 0.00 0.48 -0.18 -1.12 -0.55 0.00 0.00 175.29 173.93 2hka s SER 35 N -2.86 3.82 0.01 6.67 0.01 -1.26 -1.20 113.70 118.90 2hka s SER 35 Ca 0.28 -0.41 0.07 0.00 1.31 0.00 0.00 55.95 57.21 2hka s SER 35 Cb -0.10 -0.63 -0.03 0.00 0.21 0.00 0.00 66.02 65.47 2hka s SER 35 CO 0.20 0.26 -0.22 -0.31 0.41 0.00 0.00 173.24 173.58 2hka s TYR 36 N -0.92 2.44 -0.02 2.43 1.51 -0.67 -4.87 117.35 117.26 2hka s TYR 36 Ca 0.15 -0.34 -0.30 0.00 -1.01 0.00 0.00 57.07 55.56 2hka s TYR 36 Cb -0.10 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 2hka s TYR 36 CO 0.05 0.12 1.01 0.45 -1.11 0.00 0.00 175.55 176.07 2hka s SER 37 N -1.02 7.31 -0.15 2.29 0.15 0.10 -0.49 113.70 121.90 2hka s SER 37 Ca 0.12 1.67 0.00 0.00 0.70 0.00 0.00 55.95 58.44 2hka s SER 37 Cb -0.10 -2.57 -0.00 0.00 -1.71 0.00 0.00 66.02 61.64 2hka s SER 37 CO 0.02 -0.32 -0.16 -0.69 1.20 0.00 0.00 173.24 173.29 2hka s VAL 38 N 1.24 2.65 -0.22 4.45 1.01 0.14 -1.07 120.40 128.59 2hka s VAL 38 Ca 0.52 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2hka s VAL 38 Cb -0.21 -2.11 0.07 0.00 0.00 0.00 0.00 36.38 34.12 2hka s VAL 38 CO 0.26 0.52 0.02 0.21 0.00 0.00 0.00 175.10 176.10 2hka s ASN 39 N 0.75 3.38 -0.29 3.32 3.84 0.63 -1.39 114.94 125.18 2hka s ASN 39 Ca -0.07 -1.06 -0.07 0.00 0.21 0.00 0.00 52.86 51.88 2hka s ASN 39 Cb -0.15 -0.83 0.00 0.00 -0.55 0.00 0.00 41.25 39.72 2hka s ASN 39 CO 0.01 -0.30 0.08 -0.69 -2.79 0.00 0.00 177.10 173.41 2hka s VAL 40 N 1.67 3.99 -0.23 -5.21 1.01 0.66 -0.50 120.40 121.80 2hka s VAL 40 Ca -0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.20 2hka s VAL 40 Cb -0.18 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2hka s VAL 40 CO -0.10 0.12 0.34 -0.89 0.00 0.00 0.00 175.10 174.57 2hka s THR 41 N 1.51 5.23 0.07 3.92 2.01 -0.04 -0.46 115.64 127.88 2hka s THR 41 Ca 0.03 0.56 -0.08 0.00 0.31 0.00 0.00 61.69 62.51 2hka s THR 41 Cb -0.17 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 2hka s THR 41 CO 0.02 0.25 0.16 0.72 -0.69 0.00 0.00 174.62 175.09 2hka s PHE 42 N 1.43 0.17 -0.13 4.92 -0.71 -0.56 -0.27 117.98 122.83 2hka s PHE 42 Ca 0.16 -0.57 -0.02 0.00 -1.04 0.00 0.00 56.93 55.46 2hka s PHE 42 Cb -0.15 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.55 2hka s PHE 42 CO 0.08 -0.49 -0.06 0.99 -1.34 0.00 0.00 175.22 174.39 2hka s THR 43 N -3.54 3.73 0.21 -4.49 2.01 0.07 -0.34 115.64 113.30 2hka s THR 43 Ca 0.03 -0.43 -0.25 0.00 0.31 0.00 0.00 61.69 61.34 2hka s THR 43 Cb 0.04 -2.60 -0.08 0.00 0.01 0.00 0.00 72.50 69.87 2hka s THR 43 CO -0.09 0.53 0.82 -0.55 -0.69 0.00 0.00 174.62 174.63 2hka s SER 44 N 0.03 7.37 -0.01 3.53 0.15 -0.47 -0.57 113.70 123.74 2hka s SER 44 Ca -0.01 1.68 0.16 0.00 0.70 0.00 0.00 55.95 58.49 2hka s SER 44 Cb -0.14 -2.51 0.47 0.00 -1.71 0.00 0.00 66.02 62.12 2hka s SER 44 CO 0.03 0.14 1.39 0.59 1.20 0.00 0.00 173.24 176.59 2hka n ASN 45 N 1.31 3.44 -1.79 5.45 3.02 0.83 -0.14 115.26 127.38 2hka n ASN 45 Ca -0.04 -2.04 -0.04 0.00 -0.03 0.00 0.00 54.58 52.43 2hka n ASN 45 Cb 0.49 -0.36 0.01 0.00 -0.61 0.00 0.00 39.78 39.31 2hka n ASN 45 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2hka n THR 46 N 0.97 0.00 -4.47 3.41 5.66 -1.25 -4.82 114.28 113.79 2hka n THR 46 Ca 0.18 -0.46 -0.24 0.00 -3.05 0.00 0.00 64.05 60.48 2hka n THR 46 Cb 0.53 0.44 -0.10 0.00 -1.55 0.00 0.00 70.33 69.65 2hka n THR 46 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hka s GLN 47 N -2.06 1.67 -0.19 1.09 -2.07 -1.26 -1.96 119.66 114.87 2hka s GLN 47 Ca 0.07 -1.77 -0.28 0.00 -1.82 0.00 0.00 55.36 51.56 2hka s GLN 47 Cb -0.02 -1.71 0.11 0.00 -1.09 0.00 0.00 33.01 30.29 2hka s GLN 47 CO 0.06 0.30 0.90 0.45 -1.32 0.00 0.00 175.29 175.67 2hka s SER 48 N -3.51 -0.51 0.14 12.60 0.15 -0.44 -4.89 113.70 117.25 2hka s SER 48 Ca 0.30 0.76 0.01 0.00 0.70 0.00 0.00 55.95 57.72 2hka s SER 48 Cb -0.04 0.70 -0.10 0.00 -1.71 0.00 0.00 66.02 64.86 2hka s SER 48 CO 0.15 -0.33 1.31 1.56 1.20 0.00 0.00 173.24 177.12 2hka h GLN 49 N 3.50 0.19 -4.89 5.44 1.08 -1.96 -0.51 115.11 117.96 2hka h GLN 49 Ca -0.25 -0.24 -0.39 0.00 -1.45 0.00 0.00 58.65 56.32 2hka h GLN 49 Cb 1.16 0.08 -0.14 0.00 -0.05 0.00 0.00 27.48 28.53 2hka h GLN 49 CO 0.23 1.02 -0.58 -1.54 -0.95 0.00 0.00 178.83 177.02 2hka s SER 50 N -6.95 1.44 -0.16 1.46 1.04 -1.26 -4.63 113.70 104.64 2hka s SER 50 Ca -0.03 -1.50 -0.18 0.00 0.48 0.00 0.00 55.95 54.73 2hka s SER 50 Cb 0.09 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.57 2hka s SER 50 CO 0.84 -0.83 0.49 -0.94 0.98 0.00 0.00 173.24 173.77 2hka s SER 51 N -3.36 -0.49 -0.02 7.02 1.04 -1.26 -3.87 113.70 112.76 2hka s SER 51 Ca 0.36 0.89 0.03 0.00 0.48 0.00 0.00 55.95 57.71 2hka s SER 51 Cb 0.06 0.91 -0.00 0.00 0.10 0.00 0.00 66.02 67.09 2hka s SER 51 CO 0.16 -0.23 -0.10 -0.75 0.98 0.00 0.00 173.24 173.30 2hka s LYS 52 N 0.01 0.97 -0.12 4.02 2.20 -0.59 -1.14 119.74 125.10 2hka s LYS 52 Ca -0.02 -0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 55.19 2hka s LYS 52 Cb -0.03 -0.91 -0.03 0.00 -1.51 0.00 0.00 37.83 35.34 2hka s LYS 52 CO 0.02 0.18 0.02 0.00 -0.36 0.00 0.00 175.35 175.20 2hka s ALA 53 N -0.03 3.31 -0.05 3.13 0.00 0.45 -0.48 121.76 128.09 2hka s ALA 53 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 2hka s ALA 53 Cb -0.07 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.46 2hka s ALA 53 CO 0.00 0.46 -0.09 0.54 0.00 0.00 0.00 175.76 176.68 2hka s VAL 54 N -0.48 0.84 -0.00 0.00 0.11 -0.69 -4.77 120.40 115.40 2hka s VAL 54 Ca 0.09 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.90 2hka s VAL 54 Cb -0.12 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 2hka s VAL 54 CO 0.02 0.28 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.15 2hka s VAL 55 N 0.68 1.87 0.04 2.04 1.01 -1.26 -1.69 120.40 123.09 2hka s VAL 55 Ca -0.12 -1.08 0.05 0.00 0.00 0.00 0.00 61.98 60.83 2hka s VAL 55 Cb -0.14 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 2hka s VAL 55 CO 0.02 0.46 -0.16 -1.00 0.00 0.00 0.00 175.10 174.42 2hka s HIS 56 N -0.62 1.38 -0.34 5.22 3.76 0.09 -0.29 115.29 124.49 2hka s HIS 56 Ca 0.09 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.63 2hka s HIS 56 Cb -0.09 -0.82 0.07 0.00 1.11 0.00 0.00 32.58 32.84 2hka s HIS 56 CO -0.00 0.04 0.08 0.20 -0.85 0.00 0.00 174.74 174.21 2hka s GLY 57 N -1.07 1.85 -0.66 -2.22 0.00 0.16 -0.88 107.32 104.51 2hka s GLY 57 Ca 0.03 -2.03 -0.28 0.00 0.00 0.00 0.00 44.72 42.45 2hka s GLY 57 CO 0.01 0.82 1.27 -0.42 0.00 0.00 0.00 173.10 174.78 2hka s ILE 58 N 1.23 3.83 -0.17 0.90 1.01 0.12 -1.67 121.20 126.45 2hka s ILE 58 Ca -0.00 0.62 -0.03 0.00 0.00 0.00 0.00 60.65 61.24 2hka s ILE 58 Cb -0.21 -4.78 -0.02 0.00 0.01 0.00 0.00 42.46 37.46 2hka s ILE 58 CO -0.02 -1.58 -0.06 -0.69 0.00 0.00 0.00 174.94 172.59 2hka s VAL 59 N 5.55 3.50 -1.36 2.92 1.01 0.10 -1.97 120.40 130.15 2hka s VAL 59 Ca 0.40 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 2hka s VAL 59 Cb -0.08 -2.54 0.04 0.00 0.00 0.00 0.00 36.38 33.80 2hka s VAL 59 CO 0.20 0.47 0.45 0.23 0.00 0.00 0.00 175.10 176.45 2hka n MET 60 N 3.98 -3.70 -0.02 2.72 2.81 -1.26 -0.42 117.12 121.24 2hka n MET 60 Ca -0.18 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.37 2hka n MET 60 Cb 0.52 -5.40 0.00 0.00 -0.71 0.00 0.00 33.22 27.63 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 -1.24 2.15 3.59 3.03 0.00 -1.26 -5.02 105.19 106.44 2hka n GLY 61 Ca -0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.76 5.29 -0.09 -0.61 -1.09 0.45 -5.04 121.20 117.35 2hka s ILE 62 Ca 0.00 0.23 -0.30 0.00 -2.23 0.00 0.00 60.65 58.35 2hka s ILE 62 Cb 0.00 -3.55 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 2hka s ILE 62 CO 0.00 0.24 1.12 -2.16 -1.23 0.00 0.00 174.94 172.91 2hka s PRO 63 N 1.79 4.36 -0.03 2.79 0.04 -1.26 -0.72 135.00 141.97 2hka s PRO 63 Ca 0.08 1.55 0.06 0.00 0.04 0.00 0.00 61.00 62.73 2hka s PRO 63 Cb -0.16 -3.57 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 2hka s PRO 63 CO 0.11 -0.43 -0.22 0.08 0.04 0.00 0.00 177.00 176.57 2hka s VAL 64 N 2.30 1.80 0.28 -0.36 1.01 -0.67 -4.91 120.40 119.86 2hka s VAL 64 Ca 0.52 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.25 2hka s VAL 64 Cb -0.21 -1.51 -0.13 0.00 0.00 0.00 0.00 36.38 34.52 2hka s VAL 64 CO 0.19 0.51 1.35 -2.65 0.00 0.00 0.00 175.10 174.50 2hka n PRO 65 N 2.73 2.05 -4.00 2.72 -0.02 -1.26 0.40 135.00 137.62 2hka n PRO 65 Ca -0.16 0.73 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 2hka n PRO 65 Cb 0.52 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.52 2hka n PRO 65 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2hka s PHE 66 N -0.47 2.96 0.19 6.00 5.36 0.61 -4.68 117.98 127.94 2hka s PHE 66 Ca 0.63 -0.84 -0.31 0.00 -0.96 0.00 0.00 56.93 55.45 2hka s PHE 66 Cb -0.62 -2.08 -0.10 0.00 -0.34 0.00 0.00 43.02 39.88 2hka s PHE 66 CO 0.55 -0.48 1.51 -2.14 -1.46 0.00 0.00 175.22 173.20 2hka s PRO 67 N 1.32 4.24 0.14 10.12 0.02 -1.26 -4.48 135.00 145.10 2hka s PRO 67 Ca 0.04 2.32 0.05 0.00 0.02 0.00 0.00 61.00 63.43 2hka s PRO 67 Cb -0.14 -3.14 -0.04 0.00 0.02 0.00 0.00 34.50 31.19 2hka s PRO 67 CO -0.02 -0.53 -0.11 0.96 -0.33 0.00 0.00 177.00 176.97 2hka s ILE 68 N 0.74 1.16 0.30 2.83 -4.36 -1.26 -4.53 121.20 116.08 2hka s ILE 68 Ca 0.66 -1.95 -0.01 0.00 -0.26 0.00 0.00 60.65 59.10 2hka s ILE 68 Cb -0.43 -1.73 0.21 0.00 1.25 0.00 0.00 42.46 41.77 2hka s ILE 68 CO 0.35 -0.67 1.91 -0.65 0.24 0.00 0.00 174.94 176.12 2hka h PRO 69 N 3.01 0.90 -3.45 0.37 0.11 -1.96 -3.43 132.00 127.55 2hka h PRO 69 Ca -0.37 -0.11 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 2hka h PRO 69 Cb 1.19 -0.17 -0.34 0.00 0.11 0.00 0.00 31.00 31.79 2hka h PRO 69 CO 0.60 0.70 -0.70 -2.00 -0.21 0.00 0.00 178.00 176.39 2hka s GLU 70 N -5.53 -0.01 0.00 1.05 2.56 -1.26 -5.02 118.70 110.49 2hka s GLU 70 Ca -0.10 0.24 0.15 0.00 0.00 0.00 0.00 54.97 55.26 2hka s GLU 70 Cb 0.17 -0.24 -0.11 0.00 2.00 0.00 0.00 34.13 35.94 2hka s GLU 70 CO 0.79 -0.17 0.71 -1.13 -0.56 0.00 0.00 175.26 174.89 2hka n SER 71 N 4.24 0.99 -4.55 -1.70 3.41 -1.26 -4.88 113.62 109.87 2hka n SER 71 Ca -0.27 -1.00 -0.43 0.00 -0.26 0.00 0.00 58.87 56.92 2hka n SER 71 Cb 0.50 0.84 -0.05 0.00 -0.26 0.00 0.00 64.21 65.24 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 -2.26 6.44 0.40 4.04 -1.08 -1.26 -0.41 116.67 122.53 2hka s ASP 72 Ca 0.08 -0.05 0.10 0.00 -0.52 0.00 0.00 52.55 52.16 2hka s ASP 72 Cb 0.12 -2.42 0.89 0.00 -1.46 0.00 0.00 42.92 40.05 2hka s ASP 72 CO 0.55 -1.03 1.98 1.23 0.52 0.00 0.00 175.17 178.42 2hka h GLY 73 N 10.48 0.75 1.49 2.66 0.00 -1.46 -0.62 103.07 116.38 2hka h GLY 73 Ca -0.25 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 46.85 2hka h GLY 73 CO 1.01 0.16 0.00 0.00 0.00 0.00 0.00 176.54 177.71 2hka n LYS 75 N -1.25 2.34 -2.17 0.00 5.02 -0.25 -4.56 118.16 117.29 2hka n LYS 75 Ca 0.07 -2.23 -0.25 0.00 -2.02 0.00 0.00 58.31 53.88 2hka n LYS 75 Cb 0.11 -1.38 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 -0.70 4.87 0.00 4.39 7.64 0.16 -4.91 113.62 125.08 2hka n SER 76 Ca 0.12 -3.74 0.00 0.00 1.01 0.00 0.00 58.87 56.26 2hka n SER 76 Cb 0.54 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.63 0.83 3.47 0.23 0.00 -1.26 -0.87 105.19 106.95 2hka n GLY 77 Ca 0.42 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.25 4.42 -0.68 -0.61 1.01 -1.24 -4.58 121.20 116.28 2hka s ILE 78 Ca 0.00 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 2hka s ILE 78 Cb 0.00 -3.07 0.06 0.00 0.01 0.00 0.00 42.46 39.46 2hka s ILE 78 CO 0.00 0.34 1.06 -0.60 0.00 0.00 0.00 174.94 175.73 2hka s ARG 79 N 1.57 3.13 0.51 2.79 3.00 -1.26 -4.40 118.95 124.29 2hka s ARG 79 Ca 0.06 -0.66 -0.11 0.00 -1.00 0.00 0.00 55.73 54.02 2hka s ARG 79 Cb -0.15 -4.22 -0.05 0.00 0.00 0.00 0.00 34.95 30.53 2hka s ARG 79 CO 0.04 -1.91 0.89 0.00 0.00 0.00 0.00 175.30 174.32 2hka s PRO 81 N -4.48 3.96 0.17 0.00 0.02 -1.26 -5.13 135.00 128.28 2hka s PRO 81 Ca 0.53 2.46 -0.30 0.00 0.02 0.00 0.00 61.00 63.71 2hka s PRO 81 Cb -0.10 -2.84 -0.07 0.00 0.02 0.00 0.00 34.50 31.50 2hka s PRO 81 CO 0.41 -0.61 1.06 0.42 -0.33 0.00 0.00 177.00 177.95 2hka s ILE 82 N -1.16 3.99 0.15 2.83 1.01 -0.20 -4.91 121.20 122.91 2hka s ILE 82 Ca 0.56 1.73 0.11 0.00 0.00 0.00 0.00 60.65 63.05 2hka s ILE 82 Cb -0.44 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.88 2hka s ILE 82 CO 0.59 0.30 -0.25 -1.61 0.00 0.00 0.00 174.94 173.97 2hka s GLU 83 N -0.38 1.48 0.33 2.79 2.02 -1.26 -1.32 118.70 122.35 2hka s GLU 83 Ca 0.48 -1.38 -0.29 0.00 0.02 0.00 0.00 54.97 53.80 2hka s GLU 83 Cb -0.28 -1.91 -0.12 0.00 0.10 0.00 0.00 34.13 31.92 2hka s GLU 83 CO 0.34 0.44 1.53 1.17 0.02 0.00 0.00 175.26 178.76 2hka n LYS 84 N 0.71 2.64 -1.24 1.61 4.81 -0.83 -2.88 118.16 122.98 2hka n LYS 84 Ca -0.16 0.93 -0.08 0.00 -0.87 0.00 0.00 58.31 58.13 2hka n LYS 84 Cb 0.54 -2.68 -0.04 0.00 0.02 0.00 0.00 35.03 32.87 2hka n LYS 84 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2hka n ASP 85 N 1.42 -4.66 -4.92 3.14 8.00 0.80 -4.94 116.55 115.39 2hka n ASP 85 Ca 0.06 0.21 -0.31 0.00 0.71 0.00 0.00 54.79 55.45 2hka n ASP 85 Cb 0.37 -2.90 -0.04 0.00 -0.02 0.00 0.00 41.12 38.53 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 -2.44 3.45 -0.16 -1.24 1.02 -1.14 -4.84 119.74 114.38 2hka s LYS 86 Ca 0.00 -0.41 -0.10 0.00 0.02 0.00 0.00 55.97 55.48 2hka s LYS 86 Cb 0.00 -3.04 -0.05 0.00 -0.52 0.00 0.00 37.83 34.22 2hka s LYS 86 CO 0.00 0.62 0.17 0.99 -0.92 0.00 0.00 175.35 176.21 2hka s THR 87 N -1.48 5.41 0.19 2.17 2.01 -1.26 -1.36 115.64 121.31 2hka s THR 87 Ca 0.34 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.70 2hka s THR 87 Cb -0.13 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 2hka s THR 87 CO 0.26 0.49 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.21 2hka s TYR 88 N -0.11 1.83 -0.37 4.92 2.02 0.54 -4.98 117.35 121.21 2hka s TYR 88 Ca 0.12 -0.49 0.04 0.00 -0.37 0.00 0.00 57.07 56.37 2hka s TYR 88 Cb -0.12 -0.88 0.10 0.00 -0.40 0.00 0.00 41.96 40.67 2hka s TYR 88 CO 0.01 0.38 0.08 -0.80 -1.57 0.00 0.00 175.55 173.66 2hka s ASN 89 N -2.99 4.72 -0.13 2.29 0.02 -1.26 -1.50 114.94 116.10 2hka s ASN 89 Ca 0.20 -2.28 -0.29 0.00 -1.02 0.00 0.00 52.86 49.46 2hka s ASN 89 Cb -0.04 -1.64 -0.01 0.00 0.02 0.00 0.00 41.25 39.58 2hka s ASN 89 CO 0.08 -0.36 1.08 -0.47 0.02 0.00 0.00 177.10 177.44 2hka s TYR 90 N 0.74 3.35 -0.06 2.20 6.14 0.39 -4.42 117.35 125.68 2hka s TYR 90 Ca 0.12 1.43 0.03 0.00 0.64 0.00 0.00 57.07 59.29 2hka s TYR 90 Cb -0.20 -3.28 0.01 0.00 0.42 0.00 0.00 41.96 38.90 2hka s TYR 90 CO -0.07 -0.65 -0.15 0.08 0.64 0.00 0.00 175.55 175.40 2hka s VAL 91 N 2.44 1.35 0.19 3.14 1.01 -0.05 -0.25 120.40 128.23 2hka s VAL 91 Ca 0.50 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.80 2hka s VAL 91 Cb -0.19 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2hka s VAL 91 CO 0.16 0.40 0.35 -3.20 0.00 0.00 0.00 175.10 172.81 2hka n ASN 92 N 3.59 -1.00 -4.33 3.32 2.85 -0.49 -4.48 115.26 114.72 2hka n ASN 92 Ca -0.21 -1.88 -0.29 0.00 -0.11 0.00 0.00 54.58 52.09 2hka n ASN 92 Cb 0.52 1.72 -0.14 0.00 1.24 0.00 0.00 39.78 43.12 2hka n ASN 92 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2hka s LYS 93 N -2.18 1.69 -0.47 1.20 -0.14 -1.26 -0.68 119.74 117.89 2hka s LYS 93 Ca 0.11 -1.10 -0.04 0.00 -1.36 0.00 0.00 55.97 53.58 2hka s LYS 93 Cb -0.02 -1.88 0.12 0.00 -1.68 0.00 0.00 37.83 34.38 2hka s LYS 93 CO 0.08 0.48 0.29 -1.17 -0.76 0.00 0.00 175.35 174.27 2hka s LEU 94 N -1.29 5.36 -0.09 3.17 2.96 0.36 -4.45 118.68 124.70 2hka s LEU 94 Ca 0.11 -2.19 -0.30 0.00 -0.22 0.00 0.00 54.13 51.53 2hka s LEU 94 Cb -0.10 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.70 2hka s LEU 94 CO 0.02 -0.54 1.08 -2.84 -1.32 0.00 0.00 176.35 172.76 2hka s PRO 95 N 0.92 4.39 -0.44 0.98 0.02 -1.26 -1.67 135.00 137.94 2hka s PRO 95 Ca 0.10 1.50 -0.12 0.00 0.02 0.00 0.00 61.00 62.50 2hka s PRO 95 Cb -0.23 -3.55 0.08 0.00 0.02 0.00 0.00 34.50 30.82 2hka s PRO 95 CO -0.03 -0.38 0.32 0.08 -0.33 0.00 0.00 177.00 176.66 2hka s VAL 96 N 2.13 4.62 0.63 3.83 1.01 -0.34 -4.97 120.40 127.31 2hka s VAL 96 Ca 0.51 -1.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.03 2hka s VAL 96 Cb -0.21 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 2hka s VAL 96 CO 0.19 -0.56 1.12 -0.54 0.00 0.00 0.00 175.10 175.31 2hka s LYS 97 N 1.51 2.96 0.45 2.72 1.02 -1.26 0.54 119.74 127.67 2hka s LYS 97 Ca 0.03 1.46 0.10 0.00 0.02 0.00 0.00 55.97 57.59 2hka s LYS 97 Cb -0.24 -1.97 0.99 0.00 -0.52 0.00 0.00 37.83 36.10 2hka s LYS 97 CO 0.04 -1.13 2.08 -0.91 -0.92 0.00 0.00 175.35 174.50 2hka h ASN 98 N 0.37 0.29 1.25 2.83 -0.26 -1.91 -2.42 115.58 115.74 2hka h ASN 98 Ca -0.48 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.25 2hka h ASN 98 Cb 1.25 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 2hka h ASN 98 CO 0.55 0.23 0.00 1.05 -1.06 0.00 0.00 177.43 178.20 2hka h GLU 99 N 0.34 0.00 -6.70 0.81 4.11 -1.97 -3.46 114.58 107.71 2hka h GLU 99 Ca 0.09 0.00 -0.53 0.00 0.07 0.00 0.00 59.36 59.00 2hka h GLU 99 Cb -0.01 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.30 2hka h GLU 99 CO -0.02 0.00 0.87 0.71 0.07 0.00 0.00 179.01 180.64 2hka s TYR 100 N -3.29 2.95 0.60 2.06 2.02 -0.91 -4.96 117.35 115.82 2hka s TYR 100 Ca 0.06 0.74 -0.19 0.00 -0.37 0.00 0.00 57.07 57.31 2hka s TYR 100 Cb 0.10 -3.96 -0.03 0.00 -0.40 0.00 0.00 41.96 37.66 2hka s TYR 100 CO 0.54 -3.38 1.25 -1.25 -1.57 0.00 0.00 175.55 171.13 2hka s PRO 101 N 0.30 2.89 -0.98 -1.71 0.04 -1.26 -4.93 135.00 129.34 2hka s PRO 101 Ca 0.66 1.93 -0.21 0.00 0.04 0.00 0.00 61.00 63.42 2hka s PRO 101 Cb -0.45 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.24 2hka s PRO 101 CO 0.39 -1.30 1.29 -1.12 0.04 0.00 0.00 177.00 176.30 2hka s SER 102 N -1.47 6.57 0.36 6.66 0.01 -1.26 -4.80 113.70 119.77 2hka s SER 102 Ca 0.78 -1.77 -0.06 0.00 1.31 0.00 0.00 55.95 56.21 2hka s SER 102 Cb -0.33 -2.48 0.02 0.00 0.21 0.00 0.00 66.02 63.43 2hka s SER 102 CO 0.36 -1.28 0.57 0.27 0.41 0.00 0.00 173.24 173.57 2hka s ILE 103 N 3.80 0.00 0.29 1.44 -4.36 -1.00 -4.90 121.20 116.46 2hka s ILE 103 Ca 0.39 -1.43 -0.28 0.00 -0.26 0.00 0.00 60.65 59.07 2hka s ILE 103 Cb -0.02 -2.71 -0.09 0.00 1.25 0.00 0.00 42.46 40.88 2hka s ILE 103 CO -0.09 0.00 1.02 -0.75 0.24 0.00 0.00 174.94 175.35 2hka s LYS 104 N -2.83 4.63 -0.01 0.37 2.20 -1.26 -1.45 119.74 121.39 2hka s LYS 104 Ca 0.26 1.59 -0.02 0.00 -0.36 0.00 0.00 55.97 57.44 2hka s LYS 104 Cb -0.02 -3.06 -0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2hka s LYS 104 CO 0.18 0.27 0.05 0.08 -0.36 0.00 0.00 175.35 175.56 2hka s VAL 105 N -1.31 0.04 -0.24 4.02 1.01 -0.55 -4.59 120.40 118.78 2hka s VAL 105 Ca 0.46 -0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 2hka s VAL 105 Cb -0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2hka s VAL 105 CO 0.33 -0.18 0.04 -0.69 0.00 0.00 0.00 175.10 174.60 2hka s VAL 106 N -0.53 4.03 -0.19 2.92 1.01 -0.83 -0.02 120.40 126.78 2hka s VAL 106 Ca -0.06 -0.27 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2hka s VAL 106 Cb -0.04 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.43 2hka s VAL 106 CO 0.00 0.37 0.44 -0.69 0.00 0.00 0.00 175.10 175.22 2hka s VAL 107 N 1.55 5.17 -0.15 2.92 1.01 -0.10 0.15 120.40 130.94 2hka s VAL 107 Ca 0.06 0.81 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 2hka s VAL 107 Cb -0.15 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.45 2hka s VAL 107 CO 0.02 0.24 -0.12 -0.70 0.00 0.00 0.00 175.10 174.54 2hka s GLU 108 N 1.31 3.34 -0.07 2.72 2.12 -0.06 -1.53 118.70 126.55 2hka s GLU 108 Ca 0.21 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.88 2hka s GLU 108 Cb -0.15 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.55 2hka s GLU 108 CO 0.09 0.09 -0.15 -0.46 -0.54 0.00 0.00 175.26 174.29 2hka s TRP 109 N 0.67 1.66 0.05 5.30 -0.11 -0.20 -0.73 118.94 125.59 2hka s TRP 109 Ca -0.06 -0.62 0.01 0.00 1.22 0.00 0.00 56.10 56.65 2hka s TRP 109 Cb -0.15 -1.18 -0.03 0.00 -1.50 0.00 0.00 33.47 30.60 2hka s TRP 109 CO 0.02 -0.29 -0.05 -1.83 -4.62 0.00 0.00 176.95 170.18 2hka s GLU 110 N 0.55 0.57 -0.09 5.86 -1.05 -0.68 -1.53 118.70 122.33 2hka s GLU 110 Ca -0.14 -1.00 0.01 0.00 -0.15 0.00 0.00 54.97 53.68 2hka s GLU 110 Cb -0.16 -0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.54 2hka s GLU 110 CO 0.05 -0.04 -0.10 -1.17 0.95 0.00 0.00 175.26 174.95 2hka s LEU 111 N -2.32 1.43 0.27 1.83 2.96 -0.38 -1.71 118.68 120.76 2hka s LEU 111 Ca -0.01 -0.30 0.10 0.00 -0.22 0.00 0.00 54.13 53.71 2hka s LEU 111 Cb -0.01 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.82 2hka s LEU 111 CO -0.04 -0.04 -0.05 0.42 -1.32 0.00 0.00 176.35 175.32 2hka s THR 112 N 1.15 3.20 0.00 3.68 -4.23 0.37 0.63 115.64 120.44 2hka s THR 112 Ca -0.05 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2hka s THR 112 Cb -0.14 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.99 2hka s THR 112 CO -0.02 -0.38 0.00 -0.90 -0.54 0.00 0.00 174.62 172.78 2hka n ASP 113 N -0.83 0.28 -0.02 3.99 5.68 0.19 -1.55 116.55 124.29 2hka n ASP 113 Ca -0.06 -0.71 0.23 0.00 -0.50 0.00 0.00 54.79 53.75 2hka n ASP 113 Cb 0.59 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.29 2hka n ASP 113 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2hka h ASP 114 N 0.00 0.00 -0.49 -1.12 3.32 -1.90 0.20 116.42 116.43 2hka h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hka h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2hka h ASP 114 CO 0.00 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.81 2hka n LYS 115 N -4.09 3.22 -1.55 3.56 5.02 -1.26 -4.94 118.16 118.12 2hka n LYS 115 Ca 0.11 -2.60 -0.12 0.00 -2.02 0.00 0.00 58.31 53.68 2hka n LYS 115 Cb 0.72 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 34.03 2hka n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hka n ASN 116 N 0.68 -4.34 -4.82 4.39 4.13 0.06 -5.00 115.26 110.37 2hka n ASN 116 Ca 0.20 0.23 -0.36 0.00 1.68 0.00 0.00 54.58 56.33 2hka n ASN 116 Cb 0.72 -3.06 -0.06 0.00 -1.54 0.00 0.00 39.78 35.84 2hka n ASN 116 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2hka s GLN 117 N -3.39 4.25 -0.22 3.52 -1.52 -1.26 -4.72 119.66 116.32 2hka s GLN 117 Ca 0.00 0.86 -0.25 0.00 -1.95 0.00 0.00 55.36 54.02 2hka s GLN 117 Cb 0.00 -2.89 -0.01 0.00 -0.22 0.00 0.00 33.01 29.90 2hka s GLN 117 CO 0.00 0.40 0.86 1.03 -0.25 0.00 0.00 175.29 177.33 2hka s ARG 118 N -1.96 4.23 0.09 2.91 0.52 -1.26 -0.63 118.95 122.84 2hka s ARG 118 Ca 0.43 1.02 -0.14 0.00 -0.52 0.00 0.00 55.73 56.51 2hka s ARG 118 Cb -0.17 -3.62 -0.12 0.00 0.52 0.00 0.00 34.95 31.56 2hka s ARG 118 CO 0.21 -0.48 1.35 0.74 0.02 0.00 0.00 175.30 177.15 2hka h PHE 119 N 7.55 0.91 -2.70 -0.53 0.04 -0.10 0.10 116.94 122.20 2hka h PHE 119 Ca -0.24 -0.33 -0.10 0.00 2.80 0.00 0.00 57.97 60.09 2hka h PHE 119 Cb 1.10 -0.17 -0.20 0.00 2.20 0.00 0.00 35.95 38.88 2hka h PHE 119 CO 0.74 1.12 -0.13 -0.59 -0.60 0.00 0.00 178.31 178.86 2hka s PHE 120 N -4.05 -0.34 -0.16 -0.55 -0.12 -1.19 -2.65 117.98 108.91 2hka s PHE 120 Ca -0.12 0.57 -0.05 0.00 -0.05 0.00 0.00 56.93 57.28 2hka s PHE 120 Cb 0.08 0.20 0.08 0.00 -0.63 0.00 0.00 43.02 42.75 2hka s PHE 120 CO 0.86 -0.45 0.30 0.00 -0.05 0.00 0.00 175.22 175.88 2hka s TRP 122 N 2.46 0.44 0.01 0.00 1.48 -0.58 -0.34 118.94 122.40 2hka s TRP 122 Ca 0.02 -0.95 0.02 0.00 -1.06 0.00 0.00 56.10 54.14 2hka s TRP 122 Cb -0.13 -0.32 -0.01 0.00 -1.16 0.00 0.00 33.47 31.85 2hka s TRP 122 CO -0.11 -0.40 -0.08 -0.65 -4.06 0.00 0.00 176.95 171.65 2hka s GLN 123 N -3.79 0.61 -0.00 3.25 -0.21 0.36 -1.04 119.66 118.84 2hka s GLN 123 Ca 0.06 -0.37 -0.01 0.00 0.02 0.00 0.00 55.36 55.05 2hka s GLN 123 Cb 0.07 -0.56 -0.00 0.00 1.00 0.00 0.00 33.01 33.51 2hka s GLN 123 CO -0.10 0.15 0.02 0.96 -2.12 0.00 0.00 175.29 174.20 2hka s ILE 124 N -0.40 0.04 0.24 1.08 -4.36 -0.58 -1.28 121.20 115.94 2hka s ILE 124 Ca 0.01 -0.32 -0.23 0.00 -0.26 0.00 0.00 60.65 59.85 2hka s ILE 124 Cb -0.04 -0.15 -0.09 0.00 1.25 0.00 0.00 42.46 43.44 2hka s ILE 124 CO -0.00 -0.18 0.80 -2.16 0.24 0.00 0.00 174.94 173.64 2hka s PRO 125 N -0.53 4.41 0.09 0.37 0.04 -1.26 -0.93 135.00 137.20 2hka s PRO 125 Ca -0.06 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 2hka s PRO 125 Cb -0.04 -2.94 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2hka s PRO 125 CO -0.00 0.40 0.00 0.96 0.04 0.00 0.00 177.00 178.40 2hka s ILE 126 N -1.47 0.22 -0.19 0.56 -4.36 0.96 -3.88 121.20 113.05 2hka s ILE 126 Ca 0.44 -1.87 0.01 0.00 -0.26 0.00 0.00 60.65 58.97 2hka s ILE 126 Cb -0.19 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.78 2hka s ILE 126 CO 0.23 -0.75 -0.17 -0.70 0.24 0.00 0.00 174.94 173.79 2hka s GLU 127 N -3.97 2.67 -0.12 0.37 2.56 -0.37 -1.48 118.70 118.35 2hka s GLU 127 Ca 0.15 -0.88 -0.13 0.00 0.00 0.00 0.00 54.97 54.11 2hka s GLU 127 Cb 0.08 -2.54 -0.05 0.00 2.00 0.00 0.00 34.13 33.62 2hka s GLU 127 CO -0.04 -0.29 0.29 0.08 -0.56 0.00 0.00 175.26 174.74 2hka s VAL 128 N 1.30 5.28 0.29 3.70 1.01 -0.53 -0.16 120.40 131.30 2hka s VAL 128 Ca 0.02 0.56 -0.10 0.00 0.00 0.00 0.00 61.98 62.46 2hka s VAL 128 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.62 2hka s VAL 128 CO -0.11 0.46 0.51 -1.83 0.00 0.00 0.00 175.10 174.13 2hka s GLU 129 N -0.03 1.73 0.00 2.72 -1.05 -0.62 -2.38 118.70 119.06 2hka s GLU 129 Ca 0.18 -1.43 0.10 0.00 -0.15 0.00 0.00 54.97 53.66 2hka s GLU 129 Cb -0.14 0.48 0.57 0.00 -0.44 0.00 0.00 34.13 34.60 2hka s GLU 129 CO 0.06 -0.73 1.02 0.00 0.95 0.00 0.00 175.26 176.55