#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 4.43 0.22 3.49 0.02 -1.26 -1.14 135.00 140.76 2hka s PRO 2 Ca 0.00 1.92 0.11 0.00 0.02 0.00 0.00 61.00 63.05 2hka s PRO 2 Cb 0.00 -3.25 -0.05 0.00 0.02 0.00 0.00 34.50 31.22 2hka s PRO 2 CO 0.00 -0.21 -0.19 0.14 -0.33 0.00 0.00 177.00 176.41 2hka s VAL 3 N 0.37 2.58 0.23 3.83 -7.23 0.09 -4.93 120.40 115.34 2hka s VAL 3 Ca 0.56 -2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 58.38 2hka s VAL 3 Cb -0.33 -2.28 -0.09 0.00 0.56 0.00 0.00 36.38 34.24 2hka s VAL 3 CO 0.35 -0.20 1.15 -0.54 -0.31 0.00 0.00 175.10 175.54 2hka s LYS 4 N -2.95 4.56 0.09 4.82 -0.14 -1.26 -4.58 119.74 120.28 2hka s LYS 4 Ca 0.24 1.84 -0.04 0.00 -1.36 0.00 0.00 55.97 56.65 2hka s LYS 4 Cb -0.07 -3.21 -0.03 0.00 -1.68 0.00 0.00 37.83 32.84 2hka s LYS 4 CO 0.12 0.06 0.08 -0.59 -0.76 0.00 0.00 175.35 174.27 2hka s PHE 5 N -0.62 0.50 -0.21 3.18 -0.12 -1.26 -4.84 117.98 114.61 2hka s PHE 5 Ca 0.48 -0.95 -0.05 0.00 -0.05 0.00 0.00 56.93 56.36 2hka s PHE 5 Cb -0.32 -0.29 -0.02 0.00 -0.63 0.00 0.00 43.02 41.75 2hka s PHE 5 CO 0.39 -0.49 0.01 0.21 -0.05 0.00 0.00 175.22 175.28 2hka s LYS 6 N -3.94 3.61 -0.09 1.99 2.20 -0.50 -4.94 119.74 118.08 2hka s LYS 6 Ca 0.12 -0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 54.91 2hka s LYS 6 Cb 0.07 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2hka s LYS 6 CO -0.06 -0.01 1.19 0.34 -0.36 0.00 0.00 175.35 176.45 2hka s ASP 7 N 1.06 7.05 -0.33 1.43 -1.08 -1.26 -0.95 116.67 122.58 2hka s ASP 7 Ca 0.02 1.75 0.09 0.00 -0.52 0.00 0.00 52.55 53.89 2hka s ASP 7 Cb -0.14 -2.55 0.62 0.00 -1.46 0.00 0.00 42.92 39.38 2hka s ASP 7 CO 0.02 -0.61 1.68 0.00 0.52 0.00 0.00 175.17 176.78 2hka n GLY 9 N -0.81 1.24 3.68 0.00 0.00 -1.25 -4.88 105.19 103.18 2hka n GLY 9 Ca 0.42 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.99 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 3.37 0.03 1.61 7.64 -1.26 -4.67 113.62 120.33 2hka n SER 10 Ca 0.00 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.95 2hka n SER 10 Cb 0.00 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.73 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 3.68 -0.23 -0.51 1.43 -0.00 0.22 -4.77 117.44 117.27 2hka n TRP 11 Ca 0.17 0.04 0.03 0.00 -0.00 0.00 0.00 57.50 57.74 2hka n TRP 11 Cb 0.31 0.13 0.30 0.00 -0.00 0.00 0.00 31.31 32.05 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 -3.09 2.23 -3.70 5.87 0.24 -0.10 -4.92 118.33 114.86 2hka n VAL 12 Ca 0.00 -1.14 -0.06 0.00 -2.04 0.00 0.00 64.34 61.11 2hka n VAL 12 Cb 0.25 -0.36 -0.02 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.63 -0.28 -0.05 7.63 0.00 -1.17 -1.23 107.32 111.60 2hka s GLY 13 Ca 0.43 0.22 0.02 0.00 0.00 0.00 0.00 44.72 45.39 2hka s GLY 13 CO 0.12 0.05 -0.10 0.14 0.00 0.00 0.00 173.10 173.32 2hka s VAL 14 N -3.42 0.92 -0.09 1.40 1.01 -0.06 -4.76 120.40 115.40 2hka s VAL 14 Ca 0.10 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 2hka s VAL 14 Cb -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 2hka s VAL 14 CO 0.00 0.30 1.08 -0.63 0.00 0.00 0.00 175.10 175.86 2hka s ILE 15 N 0.68 4.57 -0.16 2.22 1.01 -1.26 -1.19 121.20 127.07 2hka s ILE 15 Ca -0.13 1.86 0.10 0.00 0.00 0.00 0.00 60.65 62.49 2hka s ILE 15 Cb -0.15 -4.20 -0.23 0.00 0.01 0.00 0.00 42.46 37.89 2hka s ILE 15 CO 0.02 -0.01 0.22 0.29 0.00 0.00 0.00 174.94 175.46 2hka n LYS 16 N 5.16 0.68 -3.59 2.79 4.76 0.11 -4.98 118.16 123.08 2hka n LYS 16 Ca 0.10 0.15 -0.11 0.00 -2.87 0.00 0.00 58.31 55.57 2hka n LYS 16 Cb 0.48 -1.62 -0.06 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.54 0.65 -0.23 1.97 2.12 -0.95 -4.99 118.70 114.75 2hka s GLU 17 Ca -0.15 0.37 0.02 0.00 0.36 0.00 0.00 54.97 55.57 2hka s GLU 17 Cb 0.07 0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.83 2hka s GLU 17 CO 0.78 -0.16 -0.10 0.08 -0.54 0.00 0.00 175.26 175.31 2hka s VAL 18 N -0.58 1.87 -0.28 3.70 1.01 -1.26 -1.38 120.40 123.48 2hka s VAL 18 Ca -0.01 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.61 2hka s VAL 18 Cb -0.02 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.40 2hka s VAL 18 CO 0.00 0.06 0.02 0.21 0.00 0.00 0.00 175.10 175.39 2hka s ASN 19 N 1.26 4.78 -0.17 3.32 3.84 -0.50 -0.73 114.94 126.75 2hka s ASN 19 Ca -0.05 -0.83 -0.04 0.00 0.21 0.00 0.00 52.86 52.16 2hka s ASN 19 Cb -0.18 -1.78 -0.02 0.00 -0.55 0.00 0.00 41.25 38.72 2hka s ASN 19 CO -0.07 -0.17 -0.03 -0.69 -2.79 0.00 0.00 177.10 173.35 2hka s VAL 20 N 1.41 3.84 -0.03 -5.21 1.01 -0.29 -0.69 120.40 120.43 2hka s VAL 20 Ca 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.64 2hka s VAL 20 Cb -0.17 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2hka s VAL 20 CO -0.01 0.47 -0.06 -0.44 0.00 0.00 0.00 175.10 175.07 2hka s SER 21 N 0.59 0.95 0.19 3.32 0.01 -0.49 -0.48 113.70 117.78 2hka s SER 21 Ca -0.02 -0.14 -0.21 0.00 1.31 0.00 0.00 55.95 56.88 2hka s SER 21 Cb -0.14 -0.34 -0.08 0.00 0.21 0.00 0.00 66.02 65.66 2hka s SER 21 CO 0.02 0.00 0.72 -2.16 0.41 0.00 0.00 173.24 172.24 2hka s PRO 22 N 0.51 4.34 -0.47 12.44 0.04 -1.26 -1.14 135.00 149.46 2hka s PRO 22 Ca -0.07 0.94 0.06 0.00 0.04 0.00 0.00 61.00 61.97 2hka s PRO 22 Cb -0.11 -3.04 0.22 0.00 0.04 0.00 0.00 34.50 31.62 2hka s PRO 22 CO 0.00 0.48 0.72 0.00 0.04 0.00 0.00 177.00 178.24 2hka h PRO 24 N 4.38 0.00 -4.63 0.00 0.13 -1.97 -3.43 132.00 126.48 2hka h PRO 24 Ca -0.02 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.83 2hka h PRO 24 Cb 1.00 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 31.92 2hka h PRO 24 CO 0.29 0.28 -0.74 0.95 -0.23 0.00 0.00 178.00 178.55 2hka s THR 25 N -4.34 0.58 0.06 1.56 -4.23 -1.26 -5.15 115.64 102.87 2hka s THR 25 Ca -0.03 -1.09 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 2hka s THR 25 Cb 0.15 -0.64 -0.03 0.00 1.34 0.00 0.00 72.50 73.31 2hka s THR 25 CO 0.70 -0.37 -0.18 -1.10 -0.54 0.00 0.00 174.62 173.14 2hka s GLN 26 N -1.58 1.98 0.38 3.99 -0.21 -1.26 -3.48 119.66 119.48 2hka s GLN 26 Ca -0.09 -1.04 -0.28 0.00 0.02 0.00 0.00 55.36 53.97 2hka s GLN 26 Cb -0.10 -2.17 -0.11 0.00 1.00 0.00 0.00 33.01 31.63 2hka s GLN 26 CO 0.01 0.52 1.47 -2.30 -2.12 0.00 0.00 175.29 172.86 2hka n PRO 27 N 1.31 2.60 -1.73 2.91 -0.02 -1.26 -5.08 135.00 133.72 2hka n PRO 27 Ca -0.16 0.91 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 2hka n PRO 27 Cb 0.52 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.34 2hka n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hka s LYS 29 N 0.28 4.07 -0.42 0.00 -0.14 -1.26 -1.83 119.74 120.45 2hka s LYS 29 Ca 0.69 0.05 -0.10 0.00 -1.36 0.00 0.00 55.97 55.25 2hka s LYS 29 Cb -0.51 -3.60 0.07 0.00 -1.68 0.00 0.00 37.83 32.11 2hka s LYS 29 CO 0.41 -0.15 0.27 -0.51 -0.76 0.00 0.00 175.35 174.61 2hka s LEU 30 N 1.68 5.14 0.04 3.17 1.43 -0.39 -4.96 118.68 124.78 2hka s LEU 30 Ca 0.15 -1.38 -0.27 0.00 -1.03 0.00 0.00 54.13 51.61 2hka s LEU 30 Cb -0.15 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2hka s LEU 30 CO 0.09 -0.52 0.84 -1.00 0.23 0.00 0.00 176.35 175.98 2hka s HIS 31 N 1.48 3.72 0.31 0.29 3.76 -1.26 -1.38 115.29 122.21 2hka s HIS 31 Ca 0.03 1.56 -0.28 0.00 -0.15 0.00 0.00 55.06 56.21 2hka s HIS 31 Cb -0.22 -2.93 -0.13 0.00 1.11 0.00 0.00 32.58 30.41 2hka s HIS 31 CO 0.04 0.18 1.21 0.54 -0.85 0.00 0.00 174.74 175.86 2hka n ARG 32 N 3.13 1.86 -0.12 1.40 1.74 -0.31 -1.69 116.66 122.67 2hka n ARG 32 Ca 0.00 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.74 2hka n ARG 32 Cb 0.50 -2.18 0.00 0.00 -1.02 0.00 0.00 32.46 29.77 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 1.08 1.47 3.72 -0.13 0.00 0.60 -4.95 105.19 106.98 2hka n GLY 33 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.45 2.41 0.17 1.61 -1.52 -0.68 -4.91 119.66 116.29 2hka s GLN 34 Ca 0.00 -1.46 0.11 0.00 -1.95 0.00 0.00 55.36 52.06 2hka s GLN 34 Cb 0.00 -2.21 -0.04 0.00 -0.22 0.00 0.00 33.01 30.54 2hka s GLN 34 CO 0.00 0.21 -0.22 -1.12 -0.25 0.00 0.00 175.29 173.91 2hka s SER 35 N -3.80 3.57 -0.04 5.90 0.01 -1.26 -0.63 113.70 117.45 2hka s SER 35 Ca 0.35 -0.77 0.02 0.00 1.31 0.00 0.00 55.95 56.87 2hka s SER 35 Cb -0.04 -0.34 0.01 0.00 0.21 0.00 0.00 66.02 65.85 2hka s SER 35 CO 0.22 0.14 -0.10 -0.31 0.41 0.00 0.00 173.24 173.60 2hka s TYR 36 N -1.47 1.15 0.15 2.43 2.02 -0.09 -4.64 117.35 116.90 2hka s TYR 36 Ca 0.19 -0.35 0.03 0.00 -0.37 0.00 0.00 57.07 56.57 2hka s TYR 36 Cb -0.09 -0.85 -0.04 0.00 -0.40 0.00 0.00 41.96 40.58 2hka s TYR 36 CO 0.10 -0.18 0.25 -1.54 -1.57 0.00 0.00 175.55 172.61 2hka s SER 37 N 0.46 6.14 -0.03 2.29 1.04 -0.29 -1.30 113.70 122.01 2hka s SER 37 Ca -0.09 0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.47 2hka s SER 37 Cb -0.12 -1.80 -0.00 0.00 0.10 0.00 0.00 66.02 64.20 2hka s SER 37 CO 0.02 0.05 -0.12 0.54 0.98 0.00 0.00 173.24 174.72 2hka s VAL 38 N -1.75 0.97 -0.27 5.02 0.11 0.40 -1.40 120.40 123.49 2hka s VAL 38 Ca 0.34 -0.47 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 2hka s VAL 38 Cb -0.11 -0.85 0.08 0.00 -1.53 0.00 0.00 36.38 33.98 2hka s VAL 38 CO 0.27 0.29 0.04 0.21 -3.33 0.00 0.00 175.10 172.58 2hka s ASN 39 N 0.09 3.81 -0.32 3.54 3.84 0.13 -1.80 114.94 124.23 2hka s ASN 39 Ca -0.02 -1.38 -0.10 0.00 0.21 0.00 0.00 52.86 51.56 2hka s ASN 39 Cb -0.09 -0.97 -0.01 0.00 -0.55 0.00 0.00 41.25 39.64 2hka s ASN 39 CO 0.01 -0.34 0.17 -0.69 -2.79 0.00 0.00 177.10 173.45 2hka s VAL 40 N 1.54 4.68 -0.24 -5.21 1.01 0.11 -1.41 120.40 120.88 2hka s VAL 40 Ca 0.03 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.46 2hka s VAL 40 Cb -0.18 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2hka s VAL 40 CO -0.15 0.04 0.28 -0.89 0.00 0.00 0.00 175.10 174.39 2hka s THR 41 N 1.62 5.26 0.03 3.92 2.01 -0.48 -0.70 115.64 127.31 2hka s THR 41 Ca 0.05 0.42 -0.06 0.00 0.31 0.00 0.00 61.69 62.41 2hka s THR 41 Cb -0.17 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.71 2hka s THR 41 CO 0.07 0.26 0.11 0.72 -0.69 0.00 0.00 174.62 175.09 2hka s PHE 42 N 1.45 0.17 -0.16 4.92 -0.71 -0.58 0.08 117.98 123.15 2hka s PHE 42 Ca 0.13 -0.44 -0.04 0.00 -1.04 0.00 0.00 56.93 55.54 2hka s PHE 42 Cb -0.15 -0.12 -0.03 0.00 -1.21 0.00 0.00 43.02 41.52 2hka s PHE 42 CO 0.08 -0.36 -0.04 0.99 -1.34 0.00 0.00 175.22 174.54 2hka s THR 43 N -2.44 3.83 0.11 -4.49 2.01 -0.33 -0.19 115.64 114.14 2hka s THR 43 Ca -0.06 -0.38 -0.19 0.00 0.31 0.00 0.00 61.69 61.37 2hka s THR 43 Cb -0.02 -2.68 -0.07 0.00 0.01 0.00 0.00 72.50 69.74 2hka s THR 43 CO -0.04 0.49 0.60 -0.55 -0.69 0.00 0.00 174.62 174.44 2hka s SER 44 N 0.40 7.05 -0.13 3.53 0.15 -0.51 -0.88 113.70 123.32 2hka s SER 44 Ca -0.04 1.28 0.15 0.00 0.70 0.00 0.00 55.95 58.04 2hka s SER 44 Cb -0.14 -2.37 0.48 0.00 -1.71 0.00 0.00 66.02 62.28 2hka s SER 44 CO 0.03 0.21 1.39 -0.46 1.20 0.00 0.00 173.24 175.60 2hka n ASN 45 N 1.40 3.68 -3.91 5.45 0.23 -0.37 0.12 115.26 121.86 2hka n ASN 45 Ca -0.08 -2.70 -0.09 0.00 -0.53 0.00 0.00 54.58 51.18 2hka n ASN 45 Cb 0.51 -0.46 -0.06 0.00 -2.08 0.00 0.00 39.78 37.69 2hka n ASN 45 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 2hka s THR 46 N -2.26 0.07 0.03 5.53 -1.32 -1.25 -4.77 115.64 111.66 2hka s THR 46 Ca 0.37 -1.26 -0.01 0.00 -1.21 0.00 0.00 61.69 59.58 2hka s THR 46 Cb 0.28 -1.74 -0.04 0.00 -1.51 0.00 0.00 72.50 69.48 2hka s THR 46 CO 0.11 -0.30 0.20 0.00 -2.21 0.00 0.00 174.62 172.42 2hka s GLN 47 N -3.94 3.44 -0.22 7.08 1.03 -1.26 -2.86 119.66 122.93 2hka s GLN 47 Ca 0.15 -0.38 -0.22 0.00 0.04 0.00 0.00 55.36 54.95 2hka s GLN 47 Cb 0.03 -3.07 0.06 0.00 0.03 0.00 0.00 33.01 30.06 2hka s GLN 47 CO -0.02 0.64 0.61 0.45 -2.54 0.00 0.00 175.29 174.44 2hka s SER 48 N -2.23 -0.63 0.29 12.60 0.15 0.21 -4.91 113.70 119.19 2hka s SER 48 Ca 0.31 1.19 0.20 0.00 0.70 0.00 0.00 55.95 58.36 2hka s SER 48 Cb -0.13 1.21 0.13 0.00 -1.71 0.00 0.00 66.02 65.52 2hka s SER 48 CO 0.23 -0.23 1.32 1.56 1.20 0.00 0.00 173.24 177.32 2hka h GLN 49 N 5.06 0.00 -4.67 5.44 1.08 -1.95 0.23 115.11 120.30 2hka h GLN 49 Ca -0.28 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.64 2hka h GLN 49 Cb 1.17 0.00 -0.15 0.00 -0.05 0.00 0.00 27.48 28.45 2hka h GLN 49 CO 0.13 0.14 -0.61 -1.54 -0.95 0.00 0.00 178.83 176.00 2hka s SER 50 N -5.98 0.45 -0.22 1.46 1.04 -1.26 -4.73 113.70 104.45 2hka s SER 50 Ca 0.03 -1.40 -0.21 0.00 0.48 0.00 0.00 55.95 54.85 2hka s SER 50 Cb 0.07 0.33 0.06 0.00 0.10 0.00 0.00 66.02 66.58 2hka s SER 50 CO 0.74 -0.82 0.60 -0.94 0.98 0.00 0.00 173.24 173.79 2hka s SER 51 N -3.20 -0.63 -0.03 7.02 1.04 -1.26 -4.00 113.70 112.64 2hka s SER 51 Ca 0.39 1.21 0.03 0.00 0.48 0.00 0.00 55.95 58.05 2hka s SER 51 Cb 0.07 1.22 0.00 0.00 0.10 0.00 0.00 66.02 67.41 2hka s SER 51 CO 0.13 -0.21 -0.10 -0.75 0.98 0.00 0.00 173.24 173.29 2hka s LYS 52 N 0.33 1.06 -0.11 4.02 2.20 -0.75 -1.23 119.74 125.26 2hka s LYS 52 Ca -0.00 -0.36 -0.07 0.00 -0.36 0.00 0.00 55.97 55.19 2hka s LYS 52 Cb -0.04 -0.98 -0.04 0.00 -1.51 0.00 0.00 37.83 35.26 2hka s LYS 52 CO 0.01 0.15 0.13 0.00 -0.36 0.00 0.00 175.35 175.27 2hka s ALA 53 N 0.12 3.84 -0.03 3.13 0.00 0.78 -0.96 121.76 128.64 2hka s ALA 53 Ca -0.02 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.29 2hka s ALA 53 Cb -0.08 -1.94 0.03 0.00 0.00 0.00 0.00 23.12 21.13 2hka s ALA 53 CO 0.01 0.62 -0.00 0.08 0.00 0.00 0.00 175.76 176.47 2hka s VAL 54 N -1.03 0.20 -0.04 0.00 1.01 -0.60 -4.80 120.40 115.14 2hka s VAL 54 Ca 0.15 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.28 2hka s VAL 54 Cb -0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.95 2hka s VAL 54 CO 0.04 0.15 -0.25 -0.69 0.00 0.00 0.00 175.10 174.36 2hka s VAL 55 N 1.06 2.14 0.03 2.92 1.01 -1.26 -1.12 120.40 125.18 2hka s VAL 55 Ca -0.09 -1.06 0.04 0.00 0.00 0.00 0.00 61.98 60.87 2hka s VAL 55 Cb -0.14 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2hka s VAL 55 CO -0.02 0.58 -0.12 -1.00 0.00 0.00 0.00 175.10 174.54 2hka s HIS 56 N -0.39 1.07 -0.20 5.22 3.76 -0.19 -0.62 115.29 123.94 2hka s HIS 56 Ca 0.03 -0.33 0.01 0.00 -0.15 0.00 0.00 55.06 54.62 2hka s HIS 56 Cb -0.12 -0.64 0.02 0.00 1.11 0.00 0.00 32.58 32.95 2hka s HIS 56 CO 0.01 0.01 -0.16 0.20 -0.85 0.00 0.00 174.74 173.96 2hka s GLY 57 N -1.02 1.47 -0.65 -2.22 0.00 0.51 -0.39 107.32 105.04 2hka s GLY 57 Ca 0.00 -1.32 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 2hka s GLY 57 CO 0.01 0.37 1.08 -0.42 0.00 0.00 0.00 173.10 174.13 2hka s ILE 58 N 1.28 4.13 -0.30 0.90 1.01 0.62 -0.11 121.20 128.73 2hka s ILE 58 Ca 0.02 0.15 -0.09 0.00 0.00 0.00 0.00 60.65 60.74 2hka s ILE 58 Cb -0.15 -4.72 -0.00 0.00 0.01 0.00 0.00 42.46 37.60 2hka s ILE 58 CO -0.10 -1.48 0.12 -0.69 0.00 0.00 0.00 174.94 172.79 2hka s VAL 59 N 4.62 4.35 -1.39 2.92 1.01 -0.05 -2.94 120.40 128.92 2hka s VAL 59 Ca 0.30 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.68 2hka s VAL 59 Cb -0.12 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.06 2hka s VAL 59 CO 0.15 0.07 0.93 0.23 0.00 0.00 0.00 175.10 176.48 2hka n MET 60 N 4.94 -5.86 -0.78 2.72 2.81 -1.26 -1.56 117.12 118.12 2hka n MET 60 Ca -0.14 0.67 0.00 0.00 -1.81 0.00 0.00 57.70 56.42 2hka n MET 60 Cb 0.49 -5.49 0.00 0.00 -0.71 0.00 0.00 33.22 27.50 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 -1.65 1.27 3.42 3.03 0.00 -1.26 -5.01 105.19 104.99 2hka n GLY 61 Ca -0.11 0.00 -0.35 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 -3.59 3.86 -0.21 -0.61 1.01 -0.60 -5.07 121.20 115.98 2hka s ILE 62 Ca 0.00 -0.34 -0.29 0.00 0.00 0.00 0.00 60.65 60.02 2hka s ILE 62 Cb 0.00 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2hka s ILE 62 CO 0.00 0.42 1.45 -2.16 0.00 0.00 0.00 174.94 174.65 2hka s PRO 63 N 1.09 3.98 -0.23 2.79 0.04 -1.26 -0.87 135.00 140.53 2hka s PRO 63 Ca 0.02 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 2hka s PRO 63 Cb -0.14 -3.92 -0.02 0.00 0.04 0.00 0.00 34.50 30.45 2hka s PRO 63 CO 0.01 -1.06 0.03 0.08 0.04 0.00 0.00 177.00 176.10 2hka s VAL 64 N 4.43 3.96 0.28 -0.36 1.01 0.85 -4.90 120.40 125.67 2hka s VAL 64 Ca 0.63 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 2hka s VAL 64 Cb -0.23 -2.83 -0.11 0.00 0.00 0.00 0.00 36.38 33.21 2hka s VAL 64 CO 0.24 0.38 1.56 -2.84 0.00 0.00 0.00 175.10 174.43 2hka s PRO 65 N 1.51 4.15 -0.32 2.72 0.02 -1.26 -0.36 135.00 141.46 2hka s PRO 65 Ca 0.06 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.63 2hka s PRO 65 Cb -0.15 -3.04 0.09 0.00 0.02 0.00 0.00 34.50 31.42 2hka s PRO 65 CO 0.01 -0.58 0.02 0.12 -0.33 0.00 0.00 177.00 176.24 2hka s PHE 66 N -0.03 3.59 0.40 6.54 5.36 0.21 -4.86 117.98 129.19 2hka s PHE 66 Ca 0.62 -2.83 -0.27 0.00 -0.96 0.00 0.00 56.93 53.50 2hka s PHE 66 Cb -0.46 -2.69 -0.09 0.00 -0.34 0.00 0.00 43.02 39.43 2hka s PHE 66 CO 0.47 -0.93 1.38 -2.14 -1.46 0.00 0.00 175.22 172.54 2hka s PRO 67 N 0.97 3.95 0.11 10.12 0.02 -1.26 -4.26 135.00 144.65 2hka s PRO 67 Ca 0.07 2.33 0.10 0.00 0.02 0.00 0.00 61.00 63.52 2hka s PRO 67 Cb -0.19 -2.81 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 2hka s PRO 67 CO -0.08 -0.57 -0.24 0.96 -0.33 0.00 0.00 177.00 176.74 2hka s ILE 68 N -1.20 1.99 0.24 2.83 -4.36 -1.26 -5.05 121.20 114.39 2hka s ILE 68 Ca 0.56 -1.63 -0.05 0.00 -0.26 0.00 0.00 60.65 59.27 2hka s ILE 68 Cb -0.42 -1.78 0.22 0.00 1.25 0.00 0.00 42.46 41.74 2hka s ILE 68 CO 0.55 0.03 1.70 -0.65 0.24 0.00 0.00 174.94 176.81 2hka h PRO 69 N 4.03 0.31 -4.20 0.37 0.11 -1.96 -3.38 132.00 127.27 2hka h PRO 69 Ca -0.48 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.04 2hka h PRO 69 Cb 1.17 -0.07 -0.38 0.00 0.11 0.00 0.00 31.00 31.84 2hka h PRO 69 CO 0.40 0.20 -0.79 -2.00 -0.21 0.00 0.00 178.00 175.60 2hka s GLU 70 N -6.04 1.48 0.00 1.05 2.56 -1.26 -4.99 118.70 111.50 2hka s GLU 70 Ca -0.13 -0.66 0.17 0.00 0.00 0.00 0.00 54.97 54.35 2hka s GLU 70 Cb 0.21 -2.20 0.06 0.00 2.00 0.00 0.00 34.13 34.20 2hka s GLU 70 CO 0.76 -0.49 0.96 -1.13 -0.56 0.00 0.00 175.26 174.79 2hka n SER 71 N 4.82 2.03 -4.58 -1.70 3.41 -1.26 -4.90 113.62 111.44 2hka n SER 71 Ca -0.12 -1.51 -0.43 0.00 -0.26 0.00 0.00 58.87 56.55 2hka n SER 71 Cb 0.47 0.25 -0.03 0.00 -0.26 0.00 0.00 64.21 64.63 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 -1.71 6.54 0.50 4.04 -1.08 -1.26 -0.16 116.67 123.55 2hka s ASP 72 Ca 0.17 0.23 0.19 0.00 -0.52 0.00 0.00 52.55 52.62 2hka s ASP 72 Cb 0.14 -2.48 1.27 0.00 -1.46 0.00 0.00 42.92 40.39 2hka s ASP 72 CO 0.32 -1.12 2.10 1.23 0.52 0.00 0.00 175.17 178.22 2hka h GLY 73 N 10.78 0.00 0.75 2.66 0.00 -1.50 -0.46 103.07 115.30 2hka h GLY 73 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2hka h GLY 73 CO 1.06 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.60 2hka n LYS 75 N -0.87 0.91 -0.97 0.00 5.02 -0.21 -4.70 118.16 117.33 2hka n LYS 75 Ca 0.14 -0.89 -0.07 0.00 -2.02 0.00 0.00 58.31 55.47 2hka n LYS 75 Cb 0.06 -0.91 0.17 0.00 -0.02 0.00 0.00 35.03 34.34 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 -0.22 2.92 0.00 4.39 7.64 -0.42 -4.92 113.62 123.01 2hka n SER 76 Ca 0.00 -3.81 0.00 0.00 1.01 0.00 0.00 58.87 56.07 2hka n SER 76 Cb 0.18 -0.60 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 -1.06 1.52 3.73 0.23 0.00 -1.25 -1.64 105.19 106.71 2hka n GLY 77 Ca 0.34 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.25 5.16 -0.46 -0.61 1.01 -1.20 -4.62 121.20 118.23 2hka s ILE 78 Ca 0.00 1.02 -0.24 0.00 0.00 0.00 0.00 60.65 61.43 2hka s ILE 78 Cb 0.00 -3.84 0.03 0.00 0.01 0.00 0.00 42.46 38.65 2hka s ILE 78 CO 0.00 0.33 0.83 -0.60 0.00 0.00 0.00 174.94 175.50 2hka s ARG 79 N 0.57 3.43 0.18 2.79 3.52 -1.26 -4.54 118.95 123.64 2hka s ARG 79 Ca 0.27 -0.05 0.03 0.00 -0.13 0.00 0.00 55.73 55.86 2hka s ARG 79 Cb -0.16 -3.94 -0.03 0.00 -1.56 0.00 0.00 34.95 29.26 2hka s ARG 79 CO 0.11 -1.16 0.31 0.00 -0.81 0.00 0.00 175.30 173.75 2hka n PRO 81 N -0.82 2.30 -2.66 0.00 -0.02 -1.26 -5.13 135.00 127.41 2hka n PRO 81 Ca -0.08 0.81 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 2hka n PRO 81 Cb 0.55 -2.55 -0.04 0.00 -0.02 0.00 0.00 33.50 31.44 2hka n PRO 81 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2hka s ILE 82 N -1.16 4.42 0.17 4.25 1.01 0.82 -4.92 121.20 125.80 2hka s ILE 82 Ca 0.58 1.94 0.09 0.00 0.00 0.00 0.00 60.65 63.25 2hka s ILE 82 Cb -0.49 -4.24 -0.04 0.00 0.01 0.00 0.00 42.46 37.71 2hka s ILE 82 CO 0.60 0.26 -0.09 -1.61 0.00 0.00 0.00 174.94 174.10 2hka s GLU 83 N 0.23 2.09 0.35 2.79 0.41 -1.26 -0.62 118.70 122.69 2hka s GLU 83 Ca 0.49 -1.24 -0.28 0.00 -0.41 0.00 0.00 54.97 53.54 2hka s GLU 83 Cb -0.24 -2.18 -0.10 0.00 -1.78 0.00 0.00 34.13 29.82 2hka s GLU 83 CO 0.30 0.44 1.34 0.21 -0.49 0.00 0.00 175.26 177.07 2hka s LYS 84 N -2.78 4.24 0.00 1.61 2.20 -1.13 -3.10 119.74 120.77 2hka s LYS 84 Ca 0.25 2.27 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 2hka s LYS 84 Cb -0.09 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 2hka s LYS 84 CO 0.15 -0.31 0.00 -0.25 -0.36 0.00 0.00 175.35 174.58 2hka n ASP 85 N 0.61 -4.21 -4.91 1.43 8.00 0.32 -4.93 116.55 112.85 2hka n ASP 85 Ca 0.01 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.21 2hka n ASP 85 Cb 0.42 -2.08 -0.04 0.00 -0.02 0.00 0.00 41.12 39.39 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 -1.05 3.55 -0.14 -1.24 1.02 -1.18 -4.85 119.74 115.85 2hka s LYS 86 Ca 0.00 -0.24 -0.07 0.00 0.02 0.00 0.00 55.97 55.68 2hka s LYS 86 Cb 0.00 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.40 2hka s LYS 86 CO 0.00 0.46 0.09 0.99 -0.92 0.00 0.00 175.35 175.98 2hka s THR 87 N -1.72 5.09 0.25 2.17 2.01 -1.26 -1.42 115.64 120.76 2hka s THR 87 Ca 0.39 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.51 2hka s THR 87 Cb -0.12 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.10 2hka s THR 87 CO 0.27 0.55 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.37 2hka s TYR 88 N -0.45 1.80 -0.17 4.92 2.02 0.73 -4.98 117.35 121.22 2hka s TYR 88 Ca 0.11 -0.70 -0.00 0.00 -0.37 0.00 0.00 57.07 56.10 2hka s TYR 88 Cb -0.12 -0.98 0.04 0.00 -0.40 0.00 0.00 41.96 40.51 2hka s TYR 88 CO 0.02 0.24 -0.06 -0.80 -1.57 0.00 0.00 175.55 173.38 2hka s ASN 89 N -3.38 2.97 -0.21 2.29 0.01 -1.26 -1.52 114.94 113.84 2hka s ASN 89 Ca 0.27 -0.72 -0.11 0.00 -0.71 0.00 0.00 52.86 51.59 2hka s ASN 89 Cb 0.03 -0.99 -0.05 0.00 0.41 0.00 0.00 41.25 40.65 2hka s ASN 89 CO 0.10 -0.18 0.17 -0.47 -1.51 0.00 0.00 177.10 175.21 2hka s TYR 90 N 1.58 3.38 0.06 2.20 6.14 0.12 -3.87 117.35 126.96 2hka s TYR 90 Ca 0.00 0.33 0.05 0.00 0.64 0.00 0.00 57.07 58.09 2hka s TYR 90 Cb -0.15 -2.23 -0.03 0.00 0.42 0.00 0.00 41.96 39.97 2hka s TYR 90 CO -0.08 0.20 -0.13 0.14 0.64 0.00 0.00 175.55 176.32 2hka s VAL 91 N 0.64 1.03 0.26 3.14 -7.23 -0.65 0.05 120.40 117.64 2hka s VAL 91 Ca 0.09 -1.22 -0.21 0.00 -1.81 0.00 0.00 61.98 58.83 2hka s VAL 91 Cb -0.12 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.85 2hka s VAL 91 CO 0.01 -0.20 0.72 0.21 -0.31 0.00 0.00 175.10 175.52 2hka s ASN 92 N -1.61 -0.29 -0.13 4.85 3.84 -0.75 -4.76 114.94 116.09 2hka s ASN 92 Ca -0.02 -0.52 -0.07 0.00 0.21 0.00 0.00 52.86 52.46 2hka s ASN 92 Cb -0.10 0.70 0.05 0.00 -0.55 0.00 0.00 41.25 41.36 2hka s ASN 92 CO 0.02 -1.28 0.31 -0.75 -2.79 0.00 0.00 177.10 172.61 2hka s LYS 93 N -3.86 0.27 0.03 0.43 2.20 -1.26 -0.45 119.74 117.10 2hka s LYS 93 Ca 0.10 0.66 0.06 0.00 -0.36 0.00 0.00 55.97 56.43 2hka s LYS 93 Cb -0.05 -0.06 -0.02 0.00 -1.51 0.00 0.00 37.83 36.18 2hka s LYS 93 CO 0.04 -0.17 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.17 2hka s LEU 94 N 1.45 2.14 0.25 5.43 1.43 -0.42 -4.93 118.68 124.02 2hka s LEU 94 Ca -0.08 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.46 2hka s LEU 94 Cb -0.10 -0.86 -0.07 0.00 0.03 0.00 0.00 46.19 45.19 2hka s LEU 94 CO -0.10 0.14 0.58 -2.16 0.23 0.00 0.00 176.35 175.04 2hka s PRO 95 N -0.98 3.83 -0.51 1.29 0.04 -1.26 -0.91 135.00 136.50 2hka s PRO 95 Ca 0.06 0.34 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 2hka s PRO 95 Cb -0.08 -2.61 0.10 0.00 0.04 0.00 0.00 34.50 31.94 2hka s PRO 95 CO 0.01 0.29 0.48 0.08 0.04 0.00 0.00 177.00 177.89 2hka s VAL 96 N -1.85 5.17 0.45 -0.36 1.01 0.20 -4.97 120.40 120.04 2hka s VAL 96 Ca 0.48 -1.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.05 2hka s VAL 96 Cb -0.11 -4.25 -0.07 0.00 0.00 0.00 0.00 36.38 31.95 2hka s VAL 96 CO 0.21 -0.75 1.31 -0.54 0.00 0.00 0.00 175.10 175.33 2hka s LYS 97 N 1.78 3.69 0.42 2.72 1.02 -1.26 -0.29 119.74 127.82 2hka s LYS 97 Ca 0.05 2.15 0.12 0.00 0.02 0.00 0.00 55.97 58.31 2hka s LYS 97 Cb -0.26 -2.57 0.96 0.00 -0.52 0.00 0.00 37.83 35.44 2hka s LYS 97 CO 0.06 -0.72 1.98 -0.97 -0.92 0.00 0.00 175.35 174.77 2hka h ASN 98 N 2.23 0.44 0.75 2.83 -1.24 -1.96 -1.77 115.58 116.85 2hka h ASN 98 Ca -0.50 0.01 0.00 0.00 0.71 0.00 0.00 56.30 56.52 2hka h ASN 98 Cb 1.26 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.23 2hka h ASN 98 CO 0.61 0.27 0.00 1.05 -1.29 0.00 0.00 177.43 178.07 2hka h GLU 99 N 0.49 0.00 -6.87 6.67 4.11 -2.02 -3.45 114.58 113.51 2hka h GLU 99 Ca 0.28 0.00 -0.52 0.00 0.07 0.00 0.00 59.36 59.19 2hka h GLU 99 Cb 0.46 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.77 2hka h GLU 99 CO -0.08 0.00 0.62 0.71 0.07 0.00 0.00 179.01 180.33 2hka s TYR 100 N -3.38 3.11 0.42 2.06 2.02 -0.67 -4.98 117.35 115.93 2hka s TYR 100 Ca 0.04 1.44 -0.24 0.00 -0.37 0.00 0.00 57.07 57.94 2hka s TYR 100 Cb 0.09 -3.64 -0.08 0.00 -0.40 0.00 0.00 41.96 37.93 2hka s TYR 100 CO 0.41 -1.73 1.14 -1.25 -1.57 0.00 0.00 175.55 172.55 2hka s PRO 101 N -1.73 3.96 -1.43 -1.71 0.04 -1.26 -4.92 135.00 127.95 2hka s PRO 101 Ca 0.49 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 63.14 2hka s PRO 101 Cb -0.39 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.68 2hka s PRO 101 CO 0.51 -0.37 2.28 -1.13 0.04 0.00 0.00 177.00 178.33 2hka n SER 102 N -0.20 5.33 -4.67 6.66 3.41 -1.26 -4.68 113.62 118.20 2hka n SER 102 Ca 0.06 -2.89 -0.29 0.00 -0.26 0.00 0.00 58.87 55.49 2hka n SER 102 Cb 0.48 -1.57 -0.10 0.00 -0.26 0.00 0.00 64.21 62.76 2hka n SER 102 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2hka s ILE 103 N 1.98 1.85 0.18 -1.33 -4.36 -1.23 -4.74 121.20 113.55 2hka s ILE 103 Ca 0.50 -1.95 -0.20 0.00 -0.26 0.00 0.00 60.65 58.74 2hka s ILE 103 Cb 0.14 -2.79 -0.08 0.00 1.25 0.00 0.00 42.46 40.98 2hka s ILE 103 CO -0.06 0.00 0.69 -0.54 0.24 0.00 0.00 174.94 175.27 2hka s LYS 104 N -3.79 4.25 -0.04 0.37 1.02 -1.26 -1.00 119.74 119.30 2hka s LYS 104 Ca 0.29 0.84 -0.09 0.00 0.02 0.00 0.00 55.97 57.03 2hka s LYS 104 Cb 0.07 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 34.41 2hka s LYS 104 CO 0.15 0.46 0.22 0.08 -0.92 0.00 0.00 175.35 175.34 2hka s VAL 105 N -1.41 0.04 -0.28 3.17 1.01 -0.20 -4.76 120.40 117.98 2hka s VAL 105 Ca 0.39 -0.35 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 2hka s VAL 105 Cb -0.18 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2hka s VAL 105 CO 0.21 -0.19 0.15 -0.69 0.00 0.00 0.00 175.10 174.58 2hka s VAL 106 N -0.74 4.93 -0.14 2.92 1.01 -1.15 -0.28 120.40 126.95 2hka s VAL 106 Ca -0.08 -0.03 -0.16 0.00 0.00 0.00 0.00 61.98 61.71 2hka s VAL 106 Cb -0.05 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 2hka s VAL 106 CO 0.02 0.24 0.39 -0.69 0.00 0.00 0.00 175.10 175.05 2hka s VAL 107 N 1.70 5.24 -0.12 2.92 1.01 0.27 -0.28 120.40 131.15 2hka s VAL 107 Ca 0.06 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.81 2hka s VAL 107 Cb -0.16 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2hka s VAL 107 CO 0.08 0.35 -0.15 -0.70 0.00 0.00 0.00 175.10 174.68 2hka s GLU 108 N 0.59 3.29 -0.08 2.72 2.12 0.48 -1.59 118.70 126.24 2hka s GLU 108 Ca 0.21 -0.72 0.02 0.00 0.36 0.00 0.00 54.97 54.84 2hka s GLU 108 Cb -0.14 -2.56 0.01 0.00 0.26 0.00 0.00 34.13 31.70 2hka s GLU 108 CO 0.07 0.22 -0.14 -0.46 -0.54 0.00 0.00 175.26 174.41 2hka s TRP 109 N 0.31 1.69 0.15 5.30 -0.11 -0.42 -1.02 118.94 124.84 2hka s TRP 109 Ca -0.12 -0.68 0.07 0.00 1.22 0.00 0.00 56.10 56.59 2hka s TRP 109 Cb -0.16 -1.22 -0.04 0.00 -1.50 0.00 0.00 33.47 30.55 2hka s TRP 109 CO 0.06 -0.34 -0.14 -1.21 -4.62 0.00 0.00 176.95 170.70 2hka s GLU 110 N 0.72 1.14 -0.10 5.86 2.02 -0.27 -1.84 118.70 126.22 2hka s GLU 110 Ca -0.13 -1.37 -0.03 0.00 0.02 0.00 0.00 54.97 53.46 2hka s GLU 110 Cb -0.16 -1.00 0.05 0.00 0.10 0.00 0.00 34.13 33.12 2hka s GLU 110 CO 0.03 0.18 0.09 -1.17 0.02 0.00 0.00 175.26 174.42 2hka s LEU 111 N -2.75 0.17 0.29 1.80 2.96 -0.77 -1.56 118.68 118.81 2hka s LEU 111 Ca 0.14 -0.16 0.08 0.00 -0.22 0.00 0.00 54.13 53.97 2hka s LEU 111 Cb -0.03 -0.09 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 2hka s LEU 111 CO 0.04 -0.29 0.19 0.42 -1.32 0.00 0.00 176.35 175.39 2hka s THR 112 N 2.18 3.86 0.00 3.68 -4.23 -0.13 0.97 115.64 121.97 2hka s THR 112 Ca 0.04 -1.51 0.00 0.00 -1.18 0.00 0.00 61.69 59.04 2hka s THR 112 Cb -0.14 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.50 2hka s THR 112 CO -0.06 -0.28 0.00 -0.90 -0.54 0.00 0.00 174.62 172.84 2hka n ASP 113 N -1.19 0.48 -0.08 3.99 5.75 0.62 -1.81 116.55 124.30 2hka n ASP 113 Ca -0.05 -0.35 0.10 0.00 -0.01 0.00 0.00 54.79 54.48 2hka n ASP 113 Cb 0.59 0.00 0.48 0.00 -1.03 0.00 0.00 41.12 41.15 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 0.41 -0.53 -1.12 3.32 -1.90 -0.62 116.42 115.98 2hka h ASP 114 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2hka h ASP 114 Cb 0.00 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.47 2hka h ASP 114 CO 0.00 0.26 0.00 0.29 -1.72 0.00 0.00 179.24 178.07 2hka n LYS 115 N -4.47 4.51 -2.10 3.56 5.02 -1.26 -4.91 118.16 118.51 2hka n LYS 115 Ca 0.09 -2.86 -0.20 0.00 -2.02 0.00 0.00 58.31 53.31 2hka n LYS 115 Cb 0.32 -2.18 -0.04 0.00 -0.02 0.00 0.00 35.03 33.10 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 0.60 -5.64 -4.91 4.39 5.15 -0.24 -4.99 115.26 109.63 2hka n ASN 116 Ca 0.25 0.16 -0.29 0.00 -0.60 0.00 0.00 54.58 54.11 2hka n ASN 116 Cb 1.10 -4.75 -0.04 0.00 -0.53 0.00 0.00 39.78 35.57 2hka n ASN 116 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2hka s GLN 117 N -4.55 3.62 -0.25 1.20 -1.52 -1.26 -4.72 119.66 112.18 2hka s GLN 117 Ca 0.00 -0.07 -0.28 0.00 -1.95 0.00 0.00 55.36 53.06 2hka s GLN 117 Cb 0.00 -2.72 0.01 0.00 -0.22 0.00 0.00 33.01 30.08 2hka s GLN 117 CO 0.00 0.30 0.99 1.03 -0.25 0.00 0.00 175.29 177.36 2hka s ARG 118 N -3.32 4.20 0.12 2.91 0.52 -1.26 -0.28 118.95 121.84 2hka s ARG 118 Ca 0.42 1.19 -0.12 0.00 -0.52 0.00 0.00 55.73 56.71 2hka s ARG 118 Cb -0.11 -3.66 -0.11 0.00 0.52 0.00 0.00 34.95 31.59 2hka s ARG 118 CO 0.28 -0.66 1.37 0.74 0.02 0.00 0.00 175.30 177.06 2hka h PHE 119 N 7.63 1.10 -2.29 -0.53 0.04 0.31 0.12 116.94 123.32 2hka h PHE 119 Ca -0.20 -0.42 -0.07 0.00 2.80 0.00 0.00 57.97 60.07 2hka h PHE 119 Cb 1.07 -0.19 -0.19 0.00 2.20 0.00 0.00 35.95 38.83 2hka h PHE 119 CO 0.77 1.26 0.07 -0.59 -0.60 0.00 0.00 178.31 179.22 2hka s PHE 120 N -4.00 -0.53 -0.18 -0.55 -0.12 -1.19 -3.03 117.98 108.38 2hka s PHE 120 Ca -0.11 0.89 -0.05 0.00 -0.05 0.00 0.00 56.93 57.61 2hka s PHE 120 Cb 0.10 0.33 0.09 0.00 -0.63 0.00 0.00 43.02 42.91 2hka s PHE 120 CO 0.90 -0.56 0.33 0.00 -0.05 0.00 0.00 175.22 175.84 2hka s TRP 122 N 2.50 0.62 -0.00 0.00 1.48 -0.77 0.41 118.94 123.18 2hka s TRP 122 Ca 0.03 -0.97 0.02 0.00 -1.06 0.00 0.00 56.10 54.13 2hka s TRP 122 Cb -0.13 -0.41 -0.01 0.00 -1.16 0.00 0.00 33.47 31.76 2hka s TRP 122 CO -0.12 -0.29 -0.06 -0.65 -4.06 0.00 0.00 176.95 171.77 2hka s GLN 123 N -3.64 0.51 0.02 3.25 -0.21 -0.13 -1.30 119.66 118.17 2hka s GLN 123 Ca 0.06 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.20 2hka s GLN 123 Cb 0.05 -0.49 -0.02 0.00 1.00 0.00 0.00 33.01 33.56 2hka s GLN 123 CO -0.07 0.13 -0.04 0.96 -2.12 0.00 0.00 175.29 174.15 2hka s ILE 124 N -0.20 0.21 0.09 1.08 -4.36 -0.62 -1.41 121.20 115.99 2hka s ILE 124 Ca 0.02 -0.94 -0.20 0.00 -0.26 0.00 0.00 60.65 59.27 2hka s ILE 124 Cb -0.03 -0.34 -0.07 0.00 1.25 0.00 0.00 42.46 43.28 2hka s ILE 124 CO -0.00 -0.47 0.59 -2.16 0.24 0.00 0.00 174.94 173.14 2hka s PRO 125 N -1.47 4.22 0.18 0.37 0.04 -1.26 -0.56 135.00 136.52 2hka s PRO 125 Ca -0.14 0.77 0.01 0.00 0.04 0.00 0.00 61.00 61.67 2hka s PRO 125 Cb -0.10 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 2hka s PRO 125 CO -0.01 0.62 0.04 0.96 0.04 0.00 0.00 177.00 178.65 2hka s ILE 126 N -1.15 0.46 -0.05 0.56 -5.25 0.61 -3.60 121.20 112.79 2hka s ILE 126 Ca 0.31 -1.97 -0.01 0.00 -0.99 0.00 0.00 60.65 57.98 2hka s ILE 126 Cb -0.19 -2.23 0.03 0.00 2.95 0.00 0.00 42.46 43.02 2hka s ILE 126 CO 0.20 -0.35 0.03 -0.70 -1.79 0.00 0.00 174.94 172.33 2hka s GLU 127 N -3.99 0.18 0.17 0.37 2.12 -0.76 -1.03 118.70 115.76 2hka s GLU 127 Ca 0.28 0.25 -0.30 0.00 0.36 0.00 0.00 54.97 55.56 2hka s GLU 127 Cb 0.07 -0.64 -0.07 0.00 0.26 0.00 0.00 34.13 33.74 2hka s GLU 127 CO 0.06 -0.29 0.99 0.08 -0.54 0.00 0.00 175.26 175.55 2hka s VAL 128 N 1.94 4.19 0.11 3.70 1.01 -0.17 -1.26 120.40 129.91 2hka s VAL 128 Ca 0.03 1.96 0.02 0.00 0.00 0.00 0.00 61.98 63.99 2hka s VAL 128 Cb -0.12 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 2hka s VAL 128 CO -0.04 0.37 -0.07 -1.61 0.00 0.00 0.00 175.10 173.75 2hka s GLU 129 N -0.53 0.88 0.00 2.72 2.02 -0.48 -3.48 118.70 119.83 2hka s GLU 129 Ca 0.45 -1.35 0.03 0.00 0.02 0.00 0.00 54.97 54.11 2hka s GLU 129 Cb -0.26 -0.30 0.16 0.00 0.10 0.00 0.00 34.13 33.83 2hka s GLU 129 CO 0.32 0.00 0.64 0.00 0.02 0.00 0.00 175.26 176.25