#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hxd s ILE 2 N 0.00 3.87 0.30 1.12 1.01 -1.26 -1.00 121.20 125.23 2hxd s ILE 2 Ca 0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 60.65 59.97 2hxd s ILE 2 Cb 0.00 -2.65 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 2hxd s ILE 2 CO 0.00 0.54 1.28 -0.76 0.00 0.00 0.00 174.94 175.99 2hxd s LEU 3 N -0.12 4.45 0.57 2.97 1.02 -0.84 -4.98 118.68 121.73 2hxd s LEU 3 Ca 0.02 2.57 0.06 0.00 0.02 0.00 0.00 54.13 56.80 2hxd s LEU 3 Cb -0.13 -3.64 0.07 0.00 0.02 0.00 0.00 46.19 42.52 2hxd s LEU 3 CO 0.03 -0.47 0.79 -0.94 0.02 0.00 0.00 176.35 175.77 2hxd s SER 4 N -0.39 5.07 0.21 2.29 1.04 -1.26 -4.52 113.70 116.14 2hxd s SER 4 Ca 0.50 -0.57 -0.21 0.00 0.48 0.00 0.00 55.95 56.15 2hxd s SER 4 Cb -0.38 -0.08 0.16 0.00 0.10 0.00 0.00 66.02 65.82 2hxd s SER 4 CO 0.48 -1.31 1.55 -2.24 0.98 0.00 0.00 173.24 172.70 2hxd h ASP 5 N 0.11 -1.58 -0.66 7.02 3.04 0.23 0.81 116.42 125.41 2hxd h ASP 5 Ca -0.35 0.31 -0.08 0.00 -3.24 0.00 0.00 57.03 53.67 2hxd h ASP 5 Cb 1.28 0.79 -0.03 0.00 -1.04 0.00 0.00 39.33 40.33 2hxd h ASP 5 CO 0.43 -0.28 0.10 0.07 -2.04 0.00 0.00 179.24 177.52 2hxd h LYS 6 N -0.02 1.09 -0.83 4.15 2.10 -1.90 0.41 116.57 121.57 2hxd h LYS 6 Ca 0.30 -0.29 0.05 0.00 -2.00 0.00 0.00 60.65 58.71 2hxd h LYS 6 Cb 0.56 -0.13 -0.06 0.00 -0.90 0.00 0.00 32.23 31.70 2hxd h LYS 6 CO -0.95 1.00 0.52 -0.44 -2.00 0.00 0.00 179.45 177.58 2hxd h ASP 7 N 1.01 0.82 0.24 7.07 3.32 -1.74 0.31 116.42 127.46 2hxd h ASP 7 Ca 0.20 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.25 2hxd h ASP 7 Cb 0.44 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2hxd h ASP 7 CO 0.01 0.54 -0.12 0.40 -1.72 0.00 0.00 179.24 178.35 2hxd h ILE 8 N 0.96 0.81 -0.57 0.35 2.04 -0.34 0.25 117.51 121.01 2hxd h ILE 8 Ca 0.36 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.63 2hxd h ILE 8 Cb 0.13 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.31 2hxd h ILE 8 CO -0.16 0.14 0.24 0.40 0.00 0.00 0.00 178.15 178.77 2hxd h ILE 9 N -0.68 0.84 -0.39 -0.67 2.04 -0.81 0.44 117.51 118.28 2hxd h ILE 9 Ca -0.03 -0.15 -0.07 0.00 1.00 0.00 0.00 64.86 65.61 2hxd h ILE 9 Cb 0.48 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 2hxd h ILE 9 CO 0.06 0.08 -0.01 0.44 0.00 0.00 0.00 178.15 178.71 2hxd h ASP 10 N 0.44 0.69 0.21 1.72 3.45 -0.32 0.29 116.42 122.90 2hxd h ASP 10 Ca 0.27 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 2hxd h ASP 10 Cb 0.28 -0.19 -0.00 0.00 -0.56 0.00 0.00 39.33 38.86 2hxd h ASP 10 CO -0.25 0.84 -0.16 1.88 -1.57 0.00 0.00 179.24 179.98 2hxd h TYR 11 N 0.52 0.00 0.04 4.55 -1.99 0.07 0.21 116.97 120.38 2hxd h TYR 11 Ca 0.11 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.84 2hxd h TYR 11 Cb 0.49 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.22 2hxd h TYR 11 CO 0.04 0.16 -0.02 0.28 -0.00 0.00 0.00 178.16 178.62 2hxd h VAL 12 N 0.00 0.40 -0.88 -2.88 2.07 -0.70 0.65 116.25 114.91 2hxd h VAL 12 Ca -0.00 -1.24 0.24 0.00 0.82 0.00 0.00 66.70 66.52 2hxd h VAL 12 Cb 0.31 0.74 -0.16 0.00 -1.52 0.00 0.00 31.29 30.66 2hxd h VAL 12 CO 0.02 0.13 0.01 0.41 0.02 0.00 0.00 177.57 178.16 2hxd n THR 13 N -4.78 -0.37 1.76 2.57 -1.04 0.10 0.65 114.28 113.16 2hxd n THR 13 Ca -0.03 1.94 0.14 0.00 -2.04 0.00 0.00 64.05 64.07 2hxd n THR 13 Cb 0.13 -2.83 0.84 0.00 -1.82 0.00 0.00 70.33 66.65 2hxd n THR 13 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2hxd n SER 14 N -5.29 0.00 -1.65 8.00 3.41 0.74 -4.91 113.62 113.93 2hxd n SER 14 Ca 0.21 -0.81 -0.19 0.00 -0.26 0.00 0.00 58.87 57.81 2hxd n SER 14 Cb 0.67 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 64.52 2hxd n SER 14 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hxd n LYS 15 N -1.03 -1.39 -0.00 4.33 5.02 0.21 -4.90 118.16 120.40 2hxd n LYS 15 Ca 0.21 1.12 -0.16 0.00 -2.02 0.00 0.00 58.31 57.46 2hxd n LYS 15 Cb 0.11 -5.50 -0.14 0.00 -0.02 0.00 0.00 35.03 29.48 2hxd n LYS 15 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 2hxd h ARG 16 N 0.00 0.17 -5.15 1.97 2.43 -1.11 -3.41 114.38 109.28 2hxd h ARG 16 Ca -0.41 -0.29 -0.64 0.00 -0.81 0.00 0.00 59.98 57.83 2hxd h ARG 16 Cb 1.28 0.11 -0.21 0.00 -0.42 0.00 0.00 29.97 30.73 2hxd h ARG 16 CO 0.57 0.95 -0.63 0.42 -1.51 0.00 0.00 179.97 179.77 2hxd s ILE 17 N -2.58 4.26 -0.05 1.20 1.01 -0.59 -3.88 121.20 120.57 2hxd s ILE 17 Ca -0.15 -0.21 -0.18 0.00 0.00 0.00 0.00 60.65 60.11 2hxd s ILE 17 Cb 0.07 -2.93 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 2hxd s ILE 17 CO 0.79 0.42 0.50 -0.63 0.00 0.00 0.00 174.94 176.03 2hxd s ILE 18 N 0.88 5.06 -0.25 2.92 -1.09 -0.93 -4.18 121.20 123.61 2hxd s ILE 18 Ca 0.02 1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 59.42 2hxd s ILE 18 Cb -0.14 -3.83 0.09 0.00 -1.58 0.00 0.00 42.46 37.00 2hxd s ILE 18 CO 0.02 0.41 0.15 -0.63 -1.23 0.00 0.00 174.94 173.67 2hxd s ILE 19 N -0.03 -0.15 -0.24 2.92 1.01 -1.26 -1.68 121.20 121.77 2hxd s ILE 19 Ca 0.27 -0.48 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2hxd s ILE 19 Cb -0.16 -0.83 0.06 0.00 0.01 0.00 0.00 42.46 41.53 2hxd s ILE 19 CO 0.13 -0.51 -0.08 -0.54 0.00 0.00 0.00 174.94 173.94 2hxd s LYS 20 N 2.17 1.91 0.44 2.79 3.01 -0.35 -2.77 119.74 126.94 2hxd s LYS 20 Ca 0.07 -1.10 -0.14 0.00 -1.01 0.00 0.00 55.97 53.79 2hxd s LYS 20 Cb -0.16 -2.68 -0.07 0.00 -1.01 0.00 0.00 37.83 33.91 2hxd s LYS 20 CO -0.26 -0.56 0.85 -1.25 0.51 0.00 0.00 175.35 174.64 2hxd s PRO 21 N 1.29 3.88 -0.08 -1.68 0.04 -1.26 -0.98 135.00 136.20 2hxd s PRO 21 Ca -0.06 0.69 0.03 0.00 0.04 0.00 0.00 61.00 61.70 2hxd s PRO 21 Cb -0.19 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.04 2hxd s PRO 21 CO -0.06 -0.10 -0.18 0.12 0.04 0.00 0.00 177.00 176.82 2hxd s PHE 22 N -2.42 2.64 -0.06 0.56 5.36 -1.11 -4.80 117.98 118.15 2hxd s PHE 22 Ca 0.55 -0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 55.94 2hxd s PHE 22 Cb -0.10 -1.69 0.03 0.00 -0.34 0.00 0.00 43.02 40.91 2hxd s PHE 22 CO 0.29 -0.11 0.04 1.21 -1.46 0.00 0.00 175.22 175.19 2hxd s ASN 23 N -0.13 1.35 0.48 6.13 3.84 -1.26 -5.01 114.94 120.34 2hxd s ASN 23 Ca -0.03 -0.00 0.27 0.00 0.21 0.00 0.00 52.86 53.31 2hxd s ASN 23 Cb -0.14 -0.27 1.06 0.00 -0.55 0.00 0.00 41.25 41.36 2hxd s ASN 23 CO 0.04 -0.23 1.88 0.50 -2.79 0.00 0.00 177.10 176.50 2hxd h LYS 24 N 8.39 0.00 0.00 0.43 3.64 -1.99 -1.03 116.57 126.01 2hxd h LYS 24 Ca -0.15 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2hxd h LYS 24 Cb 1.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 2hxd h LYS 24 CO 0.20 0.15 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.06 2hxd h ASP 25 N 0.00 0.00 0.13 4.20 3.32 -2.02 -2.36 116.42 119.69 2hxd h ASP 25 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2hxd h ASP 25 Cb 0.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2hxd h ASP 25 CO 0.02 0.02 -0.10 0.49 -1.72 0.00 0.00 179.24 177.95 2hxd n PHE 26 N -3.17 0.00 -2.59 4.55 3.72 -0.39 -4.80 117.46 114.78 2hxd n PHE 26 Ca -0.01 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.96 2hxd n PHE 26 Cb 0.21 -0.07 -0.02 0.00 -0.94 0.00 0.00 39.48 38.66 2hxd n PHE 26 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 2hxd s VAL 27 N -2.24 4.57 0.44 -4.37 1.01 -0.89 -0.78 120.40 118.14 2hxd s VAL 27 Ca 0.33 1.88 0.05 0.00 0.00 0.00 0.00 61.98 64.24 2hxd s VAL 27 Cb 0.20 -4.21 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2hxd s VAL 27 CO 0.42 -0.11 0.45 0.61 0.00 0.00 0.00 175.10 176.47 2hxd n GLY 28 N 3.34 2.45 0.28 4.51 0.00 0.45 -5.00 105.19 111.22 2hxd n GLY 28 Ca 0.12 -2.24 0.02 0.00 0.00 0.00 0.00 46.02 43.91 2hxd n GLY 28 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2hxd h PRO 29 N 0.00 0.01 -0.13 1.61 0.11 -1.96 -3.25 132.00 128.39 2hxd h PRO 29 Ca -0.25 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.67 2hxd h PRO 29 Cb 0.99 -0.00 -0.36 0.00 0.11 0.00 0.00 31.00 31.74 2hxd h PRO 29 CO 0.38 0.01 -0.97 0.00 -0.21 0.00 0.00 178.00 177.20 2hxd s SER 31 N -2.45 -0.61 -0.26 0.00 1.04 -1.24 -4.54 113.70 105.64 2hxd s SER 31 Ca 0.28 0.39 -0.10 0.00 0.48 0.00 0.00 55.95 57.00 2hxd s SER 31 Cb 0.34 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.98 2hxd s SER 31 CO -0.11 -0.76 0.14 -0.47 0.98 0.00 0.00 173.24 173.02 2hxd s TYR 32 N -2.33 3.20 -0.07 5.02 6.14 -0.12 -0.41 117.35 128.77 2hxd s TYR 32 Ca -0.05 -0.01 -0.30 0.00 0.64 0.00 0.00 57.07 57.34 2hxd s TYR 32 Cb -0.00 -2.30 -0.04 0.00 0.42 0.00 0.00 41.96 40.03 2hxd s TYR 32 CO -0.00 -0.16 1.39 -0.51 0.64 0.00 0.00 175.55 176.91 2hxd s ASP 33 N 1.52 6.86 0.27 4.32 1.11 0.04 -0.35 116.67 130.44 2hxd s ASP 33 Ca 0.07 1.98 0.07 0.00 0.18 0.00 0.00 52.55 54.85 2hxd s ASP 33 Cb -0.15 -2.55 -0.03 0.00 1.07 0.00 0.00 42.92 41.26 2hxd s ASP 33 CO 0.07 -0.76 0.26 0.68 1.18 0.00 0.00 175.17 176.60 2hxd s VAL 34 N 3.07 4.37 0.14 -1.27 -7.23 -0.01 -4.90 120.40 114.57 2hxd s VAL 34 Ca 0.62 -1.31 0.09 0.00 -1.81 0.00 0.00 61.98 59.58 2hxd s VAL 34 Cb -0.28 -3.43 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 2hxd s VAL 34 CO 0.23 -0.30 -0.22 0.42 -0.31 0.00 0.00 175.10 174.92 2hxd s THR 35 N -2.15 1.97 -0.20 5.32 -4.23 -1.26 -2.14 115.64 112.96 2hxd s THR 35 Ca 0.35 -1.76 -0.25 0.00 -1.18 0.00 0.00 61.69 58.85 2hxd s THR 35 Cb -0.08 -1.82 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 2hxd s THR 35 CO 0.26 -0.10 0.83 -0.22 -0.54 0.00 0.00 174.62 174.85 2hxd s LEU 36 N -2.25 4.14 1.07 4.79 2.96 0.95 -0.95 118.68 129.38 2hxd s LEU 36 Ca 0.13 1.11 -0.14 0.00 -0.22 0.00 0.00 54.13 55.01 2hxd s LEU 36 Cb -0.09 -3.21 0.22 0.00 0.50 0.00 0.00 46.19 43.62 2hxd s LEU 36 CO 0.06 -0.44 1.09 -0.83 -1.32 0.00 0.00 176.35 174.91 2hxd s GLY 37 N 1.23 1.56 0.00 7.98 0.00 0.37 0.21 107.32 118.67 2hxd s GLY 37 Ca 0.37 -0.52 0.24 0.00 0.00 0.00 0.00 44.72 44.81 2hxd s GLY 37 CO 0.10 0.18 1.29 2.09 0.00 0.00 0.00 173.10 176.75 2hxd n ASP 38 N -4.39 1.60 -4.73 1.64 5.75 -1.26 -4.69 116.55 110.47 2hxd n ASP 38 Ca 0.07 -1.25 -0.35 0.00 -0.01 0.00 0.00 54.79 53.25 2hxd n ASP 38 Cb 0.58 0.34 -0.08 0.00 -1.03 0.00 0.00 41.12 40.93 2hxd n ASP 38 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2hxd s GLU 39 N -2.50 3.95 0.11 0.11 0.41 -1.26 -0.90 118.70 118.62 2hxd s GLU 39 Ca 0.21 -0.25 0.04 0.00 -0.41 0.00 0.00 54.97 54.56 2hxd s GLU 39 Cb 0.19 -3.29 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 2hxd s GLU 39 CO 0.56 0.39 -0.11 -0.06 -0.49 0.00 0.00 175.26 175.55 2hxd s PHE 40 N 0.06 1.17 -0.05 1.61 0.40 -0.12 -3.77 117.98 117.28 2hxd s PHE 40 Ca 0.08 -0.62 0.05 0.00 -0.60 0.00 0.00 56.93 55.83 2hxd s PHE 40 Cb -0.12 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.78 2hxd s PHE 40 CO -0.00 0.05 -0.20 0.42 0.70 0.00 0.00 175.22 176.18 2hxd s ILE 41 N -2.36 1.69 -0.02 0.64 1.01 -0.15 -1.08 121.20 120.93 2hxd s ILE 41 Ca 0.07 -0.86 0.06 0.00 0.00 0.00 0.00 60.65 59.92 2hxd s ILE 41 Cb -0.03 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 2hxd s ILE 41 CO 0.01 0.48 -0.21 0.27 0.00 0.00 0.00 174.94 175.49 2hxd s ILE 42 N 0.00 1.70 0.51 2.92 -0.00 -0.41 -0.90 121.20 125.02 2hxd s ILE 42 Ca -0.05 -0.91 -0.08 0.00 -0.00 0.00 0.00 60.65 59.61 2hxd s ILE 42 Cb -0.13 -1.42 -0.04 0.00 -0.00 0.00 0.00 42.46 40.87 2hxd s ILE 42 CO 0.03 0.48 0.86 -0.31 -0.00 0.00 0.00 174.94 176.01 2hxd s TYR 43 N -0.41 3.56 0.00 1.37 1.51 -1.26 -0.07 117.35 122.05 2hxd s TYR 43 Ca 0.06 1.02 0.00 0.00 -1.01 0.00 0.00 57.07 57.13 2hxd s TYR 43 Cb -0.09 -2.47 0.00 0.00 -0.11 0.00 0.00 41.96 39.29 2hxd s TYR 43 CO -0.00 -0.37 0.35 -3.47 -1.11 0.00 0.00 175.55 170.95 2hxd n ASP 44 N -2.22 0.71 -4.94 2.29 2.03 -0.01 -4.86 116.55 109.55 2hxd n ASP 44 Ca 0.03 -0.89 -0.25 0.00 0.52 0.00 0.00 54.79 54.21 2hxd n ASP 44 Cb 0.55 0.19 -0.02 0.00 -0.72 0.00 0.00 41.12 41.12 2hxd n ASP 44 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2hxd s ASP 45 N -0.19 6.32 0.19 1.67 1.01 -1.26 -5.00 116.67 119.42 2hxd s ASP 45 Ca 0.00 0.47 -0.12 0.00 0.71 0.00 0.00 52.55 53.61 2hxd s ASP 45 Cb 0.00 -2.04 0.11 0.00 1.01 0.00 0.00 42.92 42.00 2hxd s ASP 45 CO 0.00 -0.26 1.85 -0.08 0.21 0.00 0.00 175.17 176.89 2hxd h GLU 46 N 0.95 0.79 -4.81 8.23 4.81 -1.99 -3.44 114.58 119.14 2hxd h GLU 46 Ca -0.49 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 58.40 2hxd h GLU 46 Cb 1.21 -0.18 -0.18 0.00 0.63 0.00 0.00 28.75 30.24 2hxd h GLU 46 CO 0.62 0.52 -0.72 0.14 -0.73 0.00 0.00 179.01 178.84 2hxd s VAL 47 N -6.14 0.80 -0.60 0.32 -7.23 -1.26 -5.10 120.40 101.19 2hxd s VAL 47 Ca -0.13 -1.60 -0.23 0.00 -1.81 0.00 0.00 61.98 58.21 2hxd s VAL 47 Cb 0.14 -1.29 0.05 0.00 0.56 0.00 0.00 36.38 35.84 2hxd s VAL 47 CO 0.76 -0.60 0.93 -0.31 -0.31 0.00 0.00 175.10 175.57 2hxd s TYR 48 N -2.52 2.75 -0.49 2.82 2.02 -1.26 -4.99 117.35 115.68 2hxd s TYR 48 Ca 0.04 -0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.30 2hxd s TYR 48 Cb -0.02 -4.13 0.08 0.00 -0.40 0.00 0.00 41.96 37.48 2hxd s TYR 48 CO -0.01 -1.47 0.46 0.34 -1.57 0.00 0.00 175.55 173.30 2hxd s ASP 49 N 3.19 6.17 0.15 2.29 -1.08 -1.26 -4.93 116.67 121.20 2hxd s ASP 49 Ca 0.26 -1.34 0.21 0.00 -0.52 0.00 0.00 52.55 51.15 2hxd s ASP 49 Cb -0.15 -2.21 0.85 0.00 -1.46 0.00 0.00 42.92 39.95 2hxd s ASP 49 CO 0.15 -0.73 1.63 0.18 0.52 0.00 0.00 175.17 176.92 2hxd n LEU 50 N 5.39 0.40 0.01 -1.34 4.77 -1.26 -1.01 117.00 123.96 2hxd n LEU 50 Ca -0.12 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.58 2hxd n LEU 50 Cb 0.43 -0.53 0.53 0.00 -2.33 0.00 0.00 43.42 41.52 2hxd n LEU 50 CO 0.50 -0.40 0.90 -1.54 -1.33 0.00 0.00 177.39 175.51 2hxd n SER 51 N -1.94 0.09 -4.61 -1.43 3.41 -1.26 -2.43 113.62 105.45 2hxd n SER 51 Ca 0.03 0.51 -0.25 0.00 -0.26 0.00 0.00 58.87 58.90 2hxd n SER 51 Cb 0.22 -0.53 -0.09 0.00 -0.26 0.00 0.00 64.21 63.55 2hxd n SER 51 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hxd s LYS 52 N -3.02 1.99 0.11 4.33 1.02 -0.18 -4.80 119.74 119.20 2hxd s LYS 52 Ca 0.12 -1.86 -0.27 0.00 0.02 0.00 0.00 55.97 53.97 2hxd s LYS 52 Cb 0.16 -1.83 -0.06 0.00 -0.52 0.00 0.00 37.83 35.58 2hxd s LYS 52 CO 0.47 0.09 0.86 -2.00 -0.92 0.00 0.00 175.35 173.85 2hxd s GLU 53 N -3.70 4.62 -0.08 1.68 2.12 -1.26 -4.42 118.70 117.66 2hxd s GLU 53 Ca 0.35 1.27 -0.05 0.00 0.36 0.00 0.00 54.97 56.89 2hxd s GLU 53 Cb 0.02 -3.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 2hxd s GLU 53 CO 0.19 0.33 0.15 -0.51 -0.54 0.00 0.00 175.26 174.87 2hxd s LEU 54 N -0.32 4.35 0.02 2.70 1.43 -1.26 -5.08 118.68 120.52 2hxd s LEU 54 Ca 0.42 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.73 2hxd s LEU 54 Cb -0.23 -2.25 -0.06 0.00 0.03 0.00 0.00 46.19 43.69 2hxd s LEU 54 CO 0.27 0.36 0.58 0.20 0.23 0.00 0.00 176.35 177.99 2hxd s ASN 55 N -1.34 6.99 0.26 2.29 0.01 -1.26 -5.04 114.94 116.85 2hxd s ASN 55 Ca 0.19 1.18 -0.16 0.00 -0.71 0.00 0.00 52.86 53.36 2hxd s ASN 55 Cb -0.12 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.19 2hxd s ASN 55 CO 0.09 0.16 0.57 -0.72 -1.51 0.00 0.00 177.10 175.69 2hxd s TYR 56 N -0.49 0.13 0.07 2.20 -0.85 -1.26 -0.83 117.35 116.31 2hxd s TYR 56 Ca 0.30 -0.53 0.09 0.00 -0.52 0.00 0.00 57.07 56.42 2hxd s TYR 56 Cb -0.19 0.39 -0.03 0.00 0.38 0.00 0.00 41.96 42.52 2hxd s TYR 56 CO 0.18 -1.08 -0.25 0.15 -1.52 0.00 0.00 175.55 173.03 2hxd s LYS 57 N -3.97 1.58 -0.10 -3.49 1.02 0.90 -4.90 119.74 110.77 2hxd s LYS 57 Ca 0.17 -1.12 -0.00 0.00 0.02 0.00 0.00 55.97 55.04 2hxd s LYS 57 Cb -0.03 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.45 2hxd s LYS 57 CO 0.08 0.46 -0.08 1.03 -0.92 0.00 0.00 175.35 175.91 2hxd s ARG 58 N -1.43 3.06 0.10 1.68 0.52 -1.26 -1.29 118.95 120.32 2hxd s ARG 58 Ca 0.11 -0.57 0.08 0.00 -0.52 0.00 0.00 55.73 54.82 2hxd s ARG 58 Cb -0.10 -2.66 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 2hxd s ARG 58 CO 0.03 0.49 -0.20 0.96 0.02 0.00 0.00 175.30 176.59 2hxd s ILE 59 N -0.33 1.64 -0.21 1.52 -4.36 -0.24 -5.01 121.20 114.20 2hxd s ILE 59 Ca 0.04 -1.50 0.02 0.00 -0.26 0.00 0.00 60.65 58.95 2hxd s ILE 59 Cb -0.13 -1.49 0.04 0.00 1.25 0.00 0.00 42.46 42.13 2hxd s ILE 59 CO 0.02 -0.07 -0.16 -0.75 0.24 0.00 0.00 174.94 174.23 2hxd s LYS 60 N -1.85 2.63 0.53 0.37 2.20 -1.26 -0.95 119.74 121.41 2hxd s LYS 60 Ca 0.05 -1.01 -0.17 0.00 -0.36 0.00 0.00 55.97 54.49 2hxd s LYS 60 Cb -0.10 -2.66 -0.07 0.00 -1.51 0.00 0.00 37.83 33.49 2hxd s LYS 60 CO 0.04 -0.36 1.01 0.96 -0.36 0.00 0.00 175.35 176.64 2hxd s ILE 61 N 1.24 4.28 -0.16 5.43 -4.36 -0.08 -5.00 121.20 122.55 2hxd s ILE 61 Ca -0.00 1.13 -0.13 0.00 -0.26 0.00 0.00 60.65 61.38 2hxd s ILE 61 Cb -0.16 -3.60 -0.23 0.00 1.25 0.00 0.00 42.46 39.72 2hxd s ILE 61 CO -0.10 -0.59 0.29 0.29 0.24 0.00 0.00 174.94 175.08 2hxd n LYS 62 N -1.61 0.68 0.00 0.37 5.02 -1.26 -4.87 118.16 116.49 2hxd n LYS 62 Ca 0.07 0.40 0.00 0.00 -2.02 0.00 0.00 58.31 56.76 2hxd n LYS 62 Cb 0.54 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 2hxd n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hxd n ASN 63 N -3.89 0.94 -3.70 4.39 4.13 -1.26 -4.89 115.26 110.97 2hxd n ASN 63 Ca -0.32 0.00 -0.10 0.00 1.68 0.00 0.00 54.58 55.84 2hxd n ASN 63 Cb 0.89 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 39.09 2hxd n ASN 63 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2hxd s SER 64 N -3.78 -0.22 -0.04 6.41 1.04 -1.26 -0.46 113.70 115.39 2hxd s SER 64 Ca 0.00 -0.43 -0.03 0.00 0.48 0.00 0.00 55.95 55.97 2hxd s SER 64 Cb 0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 2hxd s SER 64 CO 0.00 -0.94 0.10 -0.51 0.98 0.00 0.00 173.24 172.88 2hxd s ILE 65 N -3.85 -0.01 -0.27 -1.02 2.07 -0.51 -2.14 121.20 115.48 2hxd s ILE 65 Ca 0.07 0.02 -0.12 0.00 -1.41 0.00 0.00 60.65 59.21 2hxd s ILE 65 Cb 0.01 -0.15 -0.05 0.00 0.13 0.00 0.00 42.46 42.40 2hxd s ILE 65 CO -0.07 0.01 0.23 -0.22 -1.91 0.00 0.00 174.94 172.97 2hxd s LEU 66 N 0.17 4.05 -0.39 8.50 2.96 -0.32 -1.76 118.68 131.89 2hxd s LEU 66 Ca -0.01 0.09 -0.11 0.00 -0.22 0.00 0.00 54.13 53.88 2hxd s LEU 66 Cb -0.02 -2.19 0.04 0.00 0.50 0.00 0.00 46.19 44.52 2hxd s LEU 66 CO -0.00 -0.05 0.22 -0.69 -1.32 0.00 0.00 176.35 174.51 2hxd s VAL 67 N 1.66 4.57 0.09 1.68 1.01 -0.24 -1.47 120.40 127.69 2hxd s VAL 67 Ca 0.09 -0.95 -0.09 0.00 0.00 0.00 0.00 61.98 61.03 2hxd s VAL 67 Cb -0.15 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.57 2hxd s VAL 67 CO 0.09 -0.30 0.40 0.00 0.00 0.00 0.00 175.10 175.30 2hxd n PRO 69 N 0.80 0.89 -1.79 0.00 -0.02 -1.26 -1.44 135.00 132.18 2hxd n PRO 69 Ca -0.07 0.36 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 2hxd n PRO 69 Cb 0.52 -2.38 0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2hxd n PRO 69 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2hxd s LEU 70 N -3.64 3.97 -0.57 2.45 2.96 -1.26 -2.38 118.68 120.21 2hxd s LEU 70 Ca 0.79 2.84 0.00 0.00 -0.22 0.00 0.00 54.13 57.54 2hxd s LEU 70 Cb -0.38 -4.11 0.00 0.00 0.50 0.00 0.00 46.19 42.20 2hxd s LEU 70 CO 0.44 -1.39 0.00 0.59 -1.32 0.00 0.00 176.35 174.67 2hxd n ASN 71 N -0.64 -4.23 0.21 3.68 5.03 -1.26 -4.86 115.26 113.19 2hxd n ASN 71 Ca 0.08 0.13 0.12 0.00 0.87 0.00 0.00 54.58 55.78 2hxd n ASN 71 Cb 0.43 -2.21 0.69 0.00 -1.02 0.00 0.00 39.78 37.68 2hxd n ASN 71 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.26 175.65 2hxd h TYR 72 N 0.00 0.00 -4.68 3.10 3.20 -1.84 -3.48 116.97 113.27 2hxd h TYR 72 Ca -0.11 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.76 2hxd h TYR 72 Cb 0.55 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.82 2hxd h TYR 72 CO 0.27 0.00 -0.14 0.09 -1.64 0.00 0.00 178.16 176.75 2hxd n ASN 73 N -4.40 -6.23 -4.65 -2.11 3.02 -1.26 -4.93 115.26 94.69 2hxd n ASN 73 Ca -0.00 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 2hxd n ASN 73 Cb 0.21 -4.14 -0.04 0.00 -0.61 0.00 0.00 39.78 35.21 2hxd n ASN 73 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2hxd s LEU 74 N -2.95 4.11 0.43 3.41 1.43 -1.26 -5.02 118.68 118.83 2hxd s LEU 74 Ca 0.07 1.15 0.02 0.00 -1.03 0.00 0.00 54.13 54.34 2hxd s LEU 74 Cb -0.02 -3.28 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 2hxd s LEU 74 CO 0.55 -0.52 0.63 0.42 0.23 0.00 0.00 176.35 177.66 2hxd s THR 75 N 2.75 3.89 0.27 5.49 -4.23 -1.26 -4.97 115.64 117.59 2hxd s THR 75 Ca 0.38 -0.63 -0.00 0.00 -1.18 0.00 0.00 61.69 60.25 2hxd s THR 75 Cb -0.16 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.54 2hxd s THR 75 CO 0.08 -0.26 1.85 -0.08 -0.54 0.00 0.00 174.62 175.67 2hxd h GLU 76 N 0.49 1.01 -0.36 3.99 4.81 -1.99 -1.25 114.58 121.28 2hxd h GLU 76 Ca -0.46 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2hxd h GLU 76 Cb 1.26 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2hxd h GLU 76 CO 0.56 0.67 0.24 1.49 -0.73 0.00 0.00 179.01 181.23 2hxd h GLU 77 N 1.04 0.48 -0.65 1.92 4.81 -1.99 -1.91 114.58 118.27 2hxd h GLU 77 Ca 0.47 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.65 2hxd h GLU 77 Cb 0.37 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2hxd h GLU 77 CO -0.23 0.32 0.33 -0.22 -0.73 0.00 0.00 179.01 178.48 2hxd h LYS 78 N 0.49 0.93 0.09 1.92 1.63 -1.86 -0.44 116.57 119.33 2hxd h LYS 78 Ca 0.13 -0.13 0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2hxd h LYS 78 Cb -0.05 -0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 2hxd h LYS 78 CO -0.03 0.73 -0.17 0.82 -3.45 0.00 0.00 179.45 177.36 2hxd h ILE 79 N 0.90 0.62 -0.99 2.00 2.04 -1.10 0.07 117.51 121.06 2hxd h ILE 79 Ca 0.23 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.10 2hxd h ILE 79 Cb 0.09 0.62 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 2hxd h ILE 79 CO -0.03 0.00 0.65 0.78 0.00 0.00 0.00 178.15 179.55 2hxd h ASN 80 N -0.32 1.13 -0.28 1.72 2.35 -1.24 -0.56 115.58 118.37 2hxd h ASN 80 Ca 0.02 -0.03 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2hxd h ASN 80 Cb 0.34 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2hxd h ASN 80 CO -0.09 0.82 0.09 0.22 -1.65 0.00 0.00 177.43 176.81 2hxd h TYR 81 N 1.34 0.15 -0.37 1.19 3.20 -0.73 -0.80 116.97 120.95 2hxd h TYR 81 Ca 0.36 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.17 2hxd h TYR 81 Cb -0.16 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2hxd h TYR 81 CO 0.00 0.06 -0.08 0.74 -1.64 0.00 0.00 178.16 177.25 2hxd h PHE 82 N 0.21 0.79 -0.57 -3.82 0.04 -0.32 -0.24 116.94 113.03 2hxd h PHE 82 Ca 0.13 -0.17 0.06 0.00 2.80 0.00 0.00 57.97 60.80 2hxd h PHE 82 Cb 0.11 -0.19 -0.06 0.00 2.20 0.00 0.00 35.95 38.01 2hxd h PHE 82 CO -0.14 0.85 0.27 0.87 -0.60 0.00 0.00 178.31 179.55 2hxd h LYS 83 N 0.51 0.49 -0.09 1.51 1.57 -1.07 0.47 116.57 119.95 2hxd h LYS 83 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2hxd h LYS 83 Cb 0.58 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 2hxd h LYS 83 CO 0.03 0.32 -0.00 1.49 -0.57 0.00 0.00 179.45 180.72 2hxd h GLU 84 N 0.50 0.16 -0.44 3.15 4.81 -1.01 0.72 114.58 122.46 2hxd h GLU 84 Ca 0.27 -0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.36 2hxd h GLU 84 Cb 0.23 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.58 2hxd h GLU 84 CO -0.21 0.43 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.22 2hxd h LYS 85 N -0.13 0.82 -0.01 1.92 3.64 -0.98 -3.32 116.57 118.50 2hxd h LYS 85 Ca 0.02 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 2hxd h LYS 85 Cb 0.36 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2hxd h LYS 85 CO 0.01 0.91 -0.16 0.66 -2.27 0.00 0.00 179.45 178.60 2hxd n TYR 86 N -4.33 0.00 -3.41 1.91 4.02 0.15 -5.00 117.16 110.50 2hxd n TYR 86 Ca -0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.65 2hxd n TYR 86 Cb 0.34 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.73 2hxd n TYR 86 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2hxd n ASN 87 N -0.10 -6.32 -4.91 7.72 5.15 0.24 -4.98 115.26 112.05 2hxd n ASN 87 Ca 0.04 -0.46 -0.27 0.00 -0.60 0.00 0.00 54.58 53.29 2hxd n ASN 87 Cb 0.21 -5.02 -0.02 0.00 -0.53 0.00 0.00 39.78 34.42 2hxd n ASN 87 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2hxd s VAL 88 N -3.28 5.02 0.00 3.44 -7.23 -1.24 -4.86 120.40 112.25 2hxd s VAL 88 Ca 0.49 -0.03 -0.08 0.00 -1.81 0.00 0.00 61.98 60.56 2hxd s VAL 88 Cb -0.22 -3.78 -0.30 0.00 0.56 0.00 0.00 36.38 32.64 2hxd s VAL 88 CO 0.61 -0.46 0.87 0.44 -0.31 0.00 0.00 175.10 176.25 2hxd h ASP 89 N 1.25 0.56 -4.83 4.85 3.45 -1.80 -3.43 116.42 116.47 2hxd h ASP 89 Ca -0.48 -0.72 -0.24 0.00 0.43 0.00 0.00 57.03 56.02 2hxd h ASP 89 Cb 1.20 -0.18 -0.21 0.00 -0.56 0.00 0.00 39.33 39.58 2hxd h ASP 89 CO 0.64 1.59 -0.72 -0.31 -1.57 0.00 0.00 179.24 178.88 2hxd s TYR 90 N -2.61 0.56 -0.09 4.55 1.51 -1.25 -5.06 117.35 114.96 2hxd s TYR 90 Ca -0.10 -0.55 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 2hxd s TYR 90 Cb 0.06 -0.35 0.01 0.00 -0.11 0.00 0.00 41.96 41.57 2hxd s TYR 90 CO 0.88 -0.13 -0.16 0.08 -1.11 0.00 0.00 175.55 175.11 2hxd s VAL 91 N -1.62 1.50 0.15 0.71 1.01 -1.26 -1.17 120.40 119.72 2hxd s VAL 91 Ca -0.10 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2hxd s VAL 91 Cb -0.08 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 2hxd s VAL 91 CO -0.01 0.44 -0.06 0.68 0.00 0.00 0.00 175.10 176.15 2hxd s VAL 92 N 0.73 0.93 -0.03 2.92 -7.23 -0.54 -4.99 120.40 112.18 2hxd s VAL 92 Ca -0.12 -2.01 0.03 0.00 -1.81 0.00 0.00 61.98 58.07 2hxd s VAL 92 Cb -0.16 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 34.86 2hxd s VAL 92 CO 0.03 -0.67 -0.13 -0.70 -0.31 0.00 0.00 175.10 173.32 2hxd s GLU 93 N -3.82 1.33 4.49 4.82 2.12 -1.26 -0.71 118.70 125.68 2hxd s GLU 93 Ca 0.18 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 55.08 2hxd s GLU 93 Cb 0.04 -1.19 0.00 0.00 0.26 0.00 0.00 34.13 33.24 2hxd s GLU 93 CO 0.01 0.16 0.00 0.41 -0.54 0.00 0.00 175.26 175.30 2hxd n GLY 94 N 3.26 1.00 3.72 -1.50 0.00 -0.52 -4.85 105.19 106.30 2hxd n GLY 94 Ca -0.18 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 2hxd n GLY 94 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2hxd s GLY 95 N -0.26 2.96 -0.04 -0.02 0.00 -1.26 -4.61 107.32 104.09 2hxd s GLY 95 Ca 0.00 0.53 0.03 0.00 0.00 0.00 0.00 44.72 45.29 2hxd s GLY 95 CO 0.00 1.48 -0.12 0.54 0.00 0.00 0.00 173.10 175.00 2hxd s VAL 96 N 0.27 1.05 0.04 1.40 0.11 -0.87 -4.75 120.40 117.64 2hxd s VAL 96 Ca 0.47 -0.50 -0.23 0.00 -2.93 0.00 0.00 61.98 58.79 2hxd s VAL 96 Cb -0.22 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.64 2hxd s VAL 96 CO 0.29 0.32 0.68 -0.76 -3.33 0.00 0.00 175.10 172.30 2hxd s LEU 97 N 0.18 4.46 0.00 2.54 1.43 -0.08 -0.89 118.68 126.32 2hxd s LEU 97 Ca -0.04 1.34 0.01 0.00 -1.03 0.00 0.00 54.13 54.40 2hxd s LEU 97 Cb -0.10 -3.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.03 2hxd s LEU 97 CO 0.01 0.10 0.03 0.61 0.23 0.00 0.00 176.35 177.33 2hxd n GLY 98 N 2.26 3.91 3.12 -3.19 0.00 0.47 -0.97 105.19 110.79 2hxd n GLY 98 Ca -0.05 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 2hxd n GLY 98 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hxd s THR 99 N -1.82 0.08 0.62 2.61 -1.32 -1.25 -1.17 115.64 113.39 2hxd s THR 99 Ca 0.04 -0.64 -0.17 0.00 -1.21 0.00 0.00 61.69 59.71 2hxd s THR 99 Cb 0.00 -0.45 -0.02 0.00 -1.51 0.00 0.00 72.50 70.52 2hxd s THR 99 CO 0.03 -0.35 1.13 0.42 -2.21 0.00 0.00 174.62 173.64 2hxd s THR 100 N -1.33 3.08 0.24 5.08 -4.23 -0.11 -0.47 115.64 117.90 2hxd s THR 100 Ca -0.14 0.57 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 2hxd s THR 100 Cb -0.07 -3.13 0.05 0.00 1.34 0.00 0.00 72.50 70.69 2hxd s THR 100 CO 0.02 -0.24 1.67 0.78 -0.54 0.00 0.00 174.62 176.31 2hxd h ASN 101 N 0.47 0.67 -2.99 3.99 2.35 -1.33 -3.41 115.58 115.32 2hxd h ASN 101 Ca -0.48 -0.23 -0.54 0.00 -0.55 0.00 0.00 56.30 54.50 2hxd h ASN 101 Cb 1.26 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2hxd h ASN 101 CO 0.55 0.88 0.76 -1.61 -1.65 0.00 0.00 177.43 176.35 2hxd s GLU 102 N -4.58 4.32 -0.15 0.81 8.01 -1.26 -4.58 118.70 121.26 2hxd s GLU 102 Ca -0.08 1.95 -0.15 0.00 0.01 0.00 0.00 54.97 56.70 2hxd s GLU 102 Cb 0.13 -3.45 -0.05 0.00 -4.31 0.00 0.00 34.13 26.46 2hxd s GLU 102 CO 0.82 -0.48 0.33 -0.47 0.01 0.00 0.00 175.26 175.46 2hxd s TYR 103 N 1.84 3.48 0.13 1.61 5.04 -0.15 -4.03 117.35 125.26 2hxd s TYR 103 Ca 0.63 0.66 0.08 0.00 -2.44 0.00 0.00 57.07 56.00 2hxd s TYR 103 Cb -0.32 -2.37 -0.04 0.00 0.35 0.00 0.00 41.96 39.58 2hxd s TYR 103 CO 0.28 0.25 -0.18 0.96 -1.34 0.00 0.00 175.55 175.51 2hxd s ILE 104 N 0.42 1.65 -0.07 3.14 -4.36 -0.27 -1.22 121.20 120.51 2hxd s ILE 104 Ca 0.18 -1.70 0.01 0.00 -0.26 0.00 0.00 60.65 58.89 2hxd s ILE 104 Cb -0.13 -1.63 0.02 0.00 1.25 0.00 0.00 42.46 41.96 2hxd s ILE 104 CO 0.05 -0.22 -0.10 -1.61 0.24 0.00 0.00 174.94 173.30 2hxd s GLU 105 N -2.35 1.48 -0.09 0.37 2.02 -0.68 -0.50 118.70 118.96 2hxd s GLU 105 Ca 0.10 -0.32 -0.00 0.00 0.02 0.00 0.00 54.97 54.77 2hxd s GLU 105 Cb -0.08 -1.32 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 2hxd s GLU 105 CO 0.05 -0.05 -0.05 -0.51 0.02 0.00 0.00 175.26 174.71 2hxd s LEU 106 N 0.91 3.23 0.83 1.80 1.43 -0.14 -2.19 118.68 124.56 2hxd s LEU 106 Ca -0.10 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 2hxd s LEU 106 Cb -0.15 -1.72 0.09 0.00 0.03 0.00 0.00 46.19 44.44 2hxd s LEU 106 CO 0.01 0.33 1.10 -2.16 0.23 0.00 0.00 176.35 175.86 2hxd s PRO 107 N -0.61 1.78 0.00 1.29 0.04 -1.25 -2.41 135.00 133.85 2hxd s PRO 107 Ca 0.09 0.63 0.06 0.00 0.04 0.00 0.00 61.00 61.83 2hxd s PRO 107 Cb -0.12 -1.88 0.38 0.00 0.04 0.00 0.00 34.50 32.92 2hxd s PRO 107 CO 0.02 -1.83 0.77 0.09 0.04 0.00 0.00 177.00 176.09 2hxd n ASN 108 N -3.57 0.00 0.00 6.66 4.13 -1.26 -2.14 115.26 119.08 2hxd n ASN 108 Ca 0.07 -0.45 0.00 0.00 1.68 0.00 0.00 54.58 55.88 2hxd n ASN 108 Cb 0.56 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 2hxd n ASN 108 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2hxd n ASP 109 N -0.80 1.23 -4.19 6.41 5.75 -1.26 0.42 116.55 124.10 2hxd n ASP 109 Ca 0.05 -1.52 -0.26 0.00 -0.01 0.00 0.00 54.79 53.05 2hxd n ASP 109 Cb 0.02 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 39.96 2hxd n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2hxd s ILE 110 N -0.52 1.53 0.25 2.12 -1.09 -0.91 -1.34 121.20 121.23 2hxd s ILE 110 Ca 0.00 -0.82 0.10 0.00 -2.23 0.00 0.00 60.65 57.70 2hxd s ILE 110 Cb 0.00 -1.27 -0.05 0.00 -1.58 0.00 0.00 42.46 39.56 2hxd s ILE 110 CO 0.00 0.43 -0.18 -0.55 -1.23 0.00 0.00 174.94 173.41 2hxd s SER 111 N -0.38 3.18 0.02 3.58 0.15 -0.25 -3.44 113.70 116.55 2hxd s SER 111 Ca 0.06 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2hxd s SER 111 Cb -0.08 -0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 2hxd s SER 111 CO -0.00 -0.04 -0.03 0.00 1.20 0.00 0.00 173.24 174.37 2hxd s ALA 112 N -2.67 0.13 -0.18 5.45 0.00 -0.87 -0.80 121.76 122.81 2hxd s ALA 112 Ca 0.27 -0.53 -0.04 0.00 0.00 0.00 0.00 51.96 51.65 2hxd s ALA 112 Cb -0.03 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 2hxd s ALA 112 CO 0.12 -0.14 -0.02 -1.14 0.00 0.00 0.00 175.76 174.58 2hxd s GLN 113 N -1.31 3.61 -0.04 0.00 2.00 -0.40 -0.48 119.66 123.04 2hxd s GLN 113 Ca -0.14 -0.54 -0.28 0.00 -2.00 0.00 0.00 55.36 52.40 2hxd s GLN 113 Cb -0.09 -3.00 -0.03 0.00 0.80 0.00 0.00 33.01 30.69 2hxd s GLN 113 CO -0.01 0.08 0.91 -0.47 -0.50 0.00 0.00 175.29 175.30 2hxd s TYR 114 N 0.80 3.61 0.04 1.67 6.14 0.14 -1.20 117.35 128.54 2hxd s TYR 114 Ca -0.00 1.55 0.02 0.00 0.64 0.00 0.00 57.07 59.27 2hxd s TYR 114 Cb -0.14 -3.05 -0.02 0.00 0.42 0.00 0.00 41.96 39.17 2hxd s TYR 114 CO 0.02 -0.03 -0.07 -1.14 0.64 0.00 0.00 175.55 174.97 2hxd s GLN 115 N 1.16 0.49 0.58 4.97 2.00 -0.66 -4.63 119.66 123.57 2hxd s GLN 115 Ca 0.47 -0.70 -0.18 0.00 -2.00 0.00 0.00 55.36 52.95 2hxd s GLN 115 Cb -0.20 -0.25 -0.04 0.00 0.80 0.00 0.00 33.01 33.33 2hxd s GLN 115 CO 0.23 0.04 1.12 0.20 -0.50 0.00 0.00 175.29 176.38 2hxd s GLY 116 N -1.47 2.47 0.35 2.59 0.00 -1.26 -0.25 107.32 109.74 2hxd s GLY 116 Ca -0.10 0.72 -0.28 0.00 0.00 0.00 0.00 44.72 45.06 2hxd s GLY 116 CO 0.00 1.08 1.30 0.50 0.00 0.00 0.00 173.10 175.97 2hxd s ARG 117 N -3.56 4.25 0.57 2.90 0.52 -0.89 -4.76 118.95 117.99 2hxd s ARG 117 Ca 0.71 2.18 0.27 0.00 -0.52 0.00 0.00 55.73 58.36 2hxd s ARG 117 Cb -0.22 -2.98 1.62 0.00 0.52 0.00 0.00 34.95 33.89 2hxd s ARG 117 CO 0.32 -0.26 2.15 0.66 0.02 0.00 0.00 175.30 178.18 2hxd h SER 118 N 3.17 0.00 -0.23 0.23 4.64 -1.95 -0.69 113.55 118.72 2hxd h SER 118 Ca -0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2hxd h SER 118 Cb 1.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.31 2hxd h SER 118 CO 0.65 0.00 0.11 0.28 -0.87 0.00 0.00 176.83 177.00 2hxd h SER 119 N 0.00 0.34 0.17 4.97 0.02 -1.96 0.17 113.55 117.25 2hxd h SER 119 Ca 0.06 -0.03 -0.31 0.00 -0.84 0.00 0.00 61.79 60.68 2hxd h SER 119 Cb 0.31 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.78 2hxd h SER 119 CO -0.00 0.31 -1.49 -0.07 -1.14 0.00 0.00 176.83 174.45 2hxd h LEU 120 N 0.38 0.57 -1.05 5.07 3.38 -1.49 -3.32 115.31 118.85 2hxd h LEU 120 Ca 0.10 -0.91 0.08 0.00 0.09 0.00 0.00 57.88 57.24 2hxd h LEU 120 Cb 0.08 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 2hxd h LEU 120 CO -0.01 1.68 0.63 1.23 0.09 0.00 0.00 178.44 182.06 2hxd h GLY 121 N 0.26 1.50 2.00 0.83 0.00 -1.02 -1.38 103.07 105.26 2hxd h GLY 121 Ca -0.29 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 46.59 2hxd h GLY 121 CO 0.15 0.28 0.00 0.54 0.00 0.00 0.00 176.54 177.51 2hxd n ARG 122 N -4.53 0.15 -0.48 4.80 1.74 0.57 -1.71 116.66 117.21 2hxd n ARG 122 Ca 0.16 0.46 0.08 0.00 -0.77 0.00 0.00 57.85 57.78 2hxd n ARG 122 Cb 0.24 -1.84 0.27 0.00 -1.02 0.00 0.00 32.46 30.12 2hxd n ARG 122 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2hxd n VAL 123 N -2.13 2.00 -2.78 1.55 0.24 -0.58 -4.98 118.33 111.64 2hxd n VAL 123 Ca 0.01 -1.51 -0.19 0.00 -2.04 0.00 0.00 64.34 60.61 2hxd n VAL 123 Cb 0.17 -0.03 0.02 0.00 -1.47 0.00 0.00 33.84 32.53 2hxd n VAL 123 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2hxd n PHE 124 N 0.14 -1.50 -3.78 6.34 3.72 -0.69 -4.68 117.46 117.01 2hxd n PHE 124 Ca 0.21 0.35 -0.36 0.00 -0.05 0.00 0.00 57.45 57.59 2hxd n PHE 124 Cb 0.83 -3.92 -0.13 0.00 -0.94 0.00 0.00 39.48 35.33 2hxd n PHE 124 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2hxd s LEU 125 N -5.65 3.42 0.09 4.37 1.98 -0.83 -1.03 118.68 121.03 2hxd s LEU 125 Ca 0.20 -0.21 0.02 0.00 -2.89 0.00 0.00 54.13 51.25 2hxd s LEU 125 Cb -0.09 -1.91 -0.04 0.00 0.66 0.00 0.00 46.19 44.81 2hxd s LEU 125 CO 0.25 -0.03 0.16 0.42 -1.89 0.00 0.00 176.35 175.26 2hxd s THR 126 N 1.56 4.93 0.00 3.68 -4.23 -0.59 -3.74 115.64 117.25 2hxd s THR 126 Ca 0.06 -0.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.91 2hxd s THR 126 Cb -0.15 -3.43 0.00 0.00 1.34 0.00 0.00 72.50 70.26 2hxd s THR 126 CO 0.03 0.07 0.44 -1.54 -0.54 0.00 0.00 174.62 173.09 2hxd n SER 127 N 0.16 0.78 -3.86 3.99 3.41 -1.25 -2.21 113.62 114.63 2hxd n SER 127 Ca -0.07 -1.17 -0.11 0.00 -0.26 0.00 0.00 58.87 57.26 2hxd n SER 127 Cb 0.52 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.38 2hxd n SER 127 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2hxd s HIS 128 N -0.17 0.06 -0.60 7.33 -3.43 -1.06 -1.77 115.29 115.65 2hxd s HIS 128 Ca 0.00 -0.22 -0.03 0.00 -0.80 0.00 0.00 55.06 54.00 2hxd s HIS 128 Cb 0.00 -0.04 0.15 0.00 -1.43 0.00 0.00 32.58 31.26 2hxd s HIS 128 CO 0.00 -0.37 0.42 -0.65 -2.00 0.00 0.00 174.74 172.14 2hxd s GLN 129 N -2.07 2.52 -0.37 -0.38 -1.52 -1.26 -4.75 119.66 111.83 2hxd s GLN 129 Ca -0.09 -2.41 -0.07 0.00 -1.95 0.00 0.00 55.36 50.83 2hxd s GLN 129 Cb -0.04 -3.74 0.01 0.00 -0.22 0.00 0.00 33.01 29.03 2hxd s GLN 129 CO -0.01 -1.16 0.22 0.25 -0.25 0.00 0.00 175.29 174.34 2hxd n THR 130 N 3.69 -0.99 0.00 -0.19 -2.24 -1.26 -4.90 114.28 108.40 2hxd n THR 130 Ca 0.06 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 2hxd n THR 130 Cb 0.39 -0.86 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 2hxd n THR 130 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2hxd n ALA 131 N -1.92 0.00 -0.21 6.98 0.00 -1.26 -5.01 120.51 119.09 2hxd n ALA 131 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2hxd n ALA 131 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2hxd n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hxd n GLY 132 N 0.00 0.25 3.66 0.00 0.00 -1.26 -4.89 105.19 102.96 2hxd n GLY 132 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2hxd n GLY 132 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2hxd s TRP 133 N -1.27 2.90 -0.28 1.61 -0.11 -1.26 0.26 118.94 120.79 2hxd s TRP 133 Ca 0.00 1.04 -0.07 0.00 1.22 0.00 0.00 56.10 58.30 2hxd s TRP 133 Cb 0.00 -3.49 0.00 0.00 -1.50 0.00 0.00 33.47 28.48 2hxd s TRP 133 CO 0.00 -1.63 0.07 0.42 -4.62 0.00 0.00 176.95 171.20 2hxd s ILE 134 N 3.31 4.00 0.44 5.86 -1.09 0.37 -4.98 121.20 129.11 2hxd s ILE 134 Ca 0.55 -0.60 -0.24 0.00 -2.23 0.00 0.00 60.65 58.13 2hxd s ILE 134 Cb -0.22 -3.02 -0.08 0.00 -1.58 0.00 0.00 42.46 37.56 2hxd s ILE 134 CO 0.15 0.14 1.21 -1.81 -1.23 0.00 0.00 174.94 173.40 2hxd s ASP 135 N 1.52 6.19 -0.04 3.58 1.11 -1.26 -2.06 116.67 125.71 2hxd s ASP 135 Ca 0.03 2.43 -0.38 0.00 0.18 0.00 0.00 52.55 54.82 2hxd s ASP 135 Cb -0.17 -2.62 -0.16 0.00 1.07 0.00 0.00 42.92 41.04 2hxd s ASP 135 CO 0.02 -0.91 1.49 0.00 1.18 0.00 0.00 175.17 176.96 2hxd n ALA 136 N -0.28 -0.65 -0.12 5.23 0.00 -1.22 -1.74 120.51 121.72 2hxd n ALA 136 Ca 0.06 0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.97 2hxd n ALA 136 Cb 0.46 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.78 2hxd n ALA 136 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hxd n GLY 137 N 3.14 0.55 3.76 0.00 0.00 -1.01 -0.66 105.19 110.97 2hxd n GLY 137 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 2hxd n GLY 137 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2hxd s PHE 138 N -2.27 3.52 -0.09 1.61 5.36 -0.71 -1.74 117.98 123.65 2hxd s PHE 138 Ca 0.00 1.64 0.02 0.00 -0.96 0.00 0.00 56.93 57.64 2hxd s PHE 138 Cb 0.00 -3.33 0.01 0.00 -0.34 0.00 0.00 43.02 39.36 2hxd s PHE 138 CO 0.00 -0.73 -0.16 0.15 -1.46 0.00 0.00 175.22 173.03 2hxd s LYS 139 N -1.31 2.20 0.00 10.12 1.02 -1.26 -0.97 119.74 129.54 2hxd s LYS 139 Ca 0.46 -0.57 0.00 0.00 0.02 0.00 0.00 55.97 55.88 2hxd s LYS 139 Cb -0.33 -1.81 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2hxd s LYS 139 CO 0.41 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.26 2hxd n GLY 140 N 3.96 0.34 3.72 -3.33 0.00 0.35 0.28 105.19 110.52 2hxd n GLY 140 Ca -0.20 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.12 2hxd n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hxd s LYS 141 N -1.83 1.06 -0.19 1.61 1.02 0.26 -1.11 119.74 120.55 2hxd s LYS 141 Ca 0.00 0.63 -0.06 0.00 0.02 0.00 0.00 55.97 56.56 2hxd s LYS 141 Cb 0.00 -1.80 -0.03 0.00 -0.52 0.00 0.00 37.83 35.48 2hxd s LYS 141 CO 0.00 -2.33 0.02 0.42 -0.92 0.00 0.00 175.35 172.55 2hxd s ILE 142 N -3.02 4.22 -0.16 2.17 1.01 -1.26 -4.76 121.20 119.41 2hxd s ILE 142 Ca 0.64 -0.22 -0.28 0.00 0.00 0.00 0.00 60.65 60.79 2hxd s ILE 142 Cb -0.17 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.38 2hxd s ILE 142 CO 0.56 0.43 0.94 -0.89 0.00 0.00 0.00 174.94 175.99 2hxd s THR 143 N 0.81 4.80 -0.13 2.92 2.01 -1.26 -0.93 115.64 123.85 2hxd s THR 143 Ca 0.01 1.87 -0.09 0.00 0.31 0.00 0.00 61.69 63.80 2hxd s THR 143 Cb -0.14 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 2hxd s THR 143 CO 0.02 -0.03 0.18 -0.76 -0.69 0.00 0.00 174.62 173.34 2hxd s LEU 144 N 2.36 4.34 -0.40 4.42 1.43 -0.32 -4.95 118.68 125.56 2hxd s LEU 144 Ca 0.43 0.47 -0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2hxd s LEU 144 Cb -0.17 -2.16 0.08 0.00 0.03 0.00 0.00 46.19 43.98 2hxd s LEU 144 CO 0.13 0.32 0.22 0.00 0.23 0.00 0.00 176.35 177.24 2hxd s ALA 145 N -0.56 3.21 -0.21 4.21 0.00 -0.73 -0.39 121.76 127.30 2hxd s ALA 145 Ca 0.14 -2.19 -0.07 0.00 0.00 0.00 0.00 51.96 49.84 2hxd s ALA 145 Cb -0.12 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.43 2hxd s ALA 145 CO 0.04 -1.64 0.06 0.42 0.00 0.00 0.00 175.76 174.63 2hxd s ILE 146 N 1.35 4.54 -0.02 0.00 1.01 -0.07 -2.55 121.20 125.45 2hxd s ILE 146 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.57 2hxd s ILE 146 Cb -0.23 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.19 2hxd s ILE 146 CO 0.00 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.66 2hxd s VAL 147 N 0.90 0.17 -0.04 2.92 1.01 -0.94 -2.06 120.40 122.37 2hxd s VAL 147 Ca 0.03 0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.88 2hxd s VAL 147 Cb -0.14 -0.25 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2hxd s VAL 147 CO 0.03 0.13 0.56 0.00 0.00 0.00 0.00 175.10 175.81 2hxd s ALA 148 N 0.86 3.49 -0.50 5.51 0.00 -1.26 -1.55 121.76 128.32 2hxd s ALA 148 Ca -0.09 -0.04 0.05 0.00 0.00 0.00 0.00 51.96 51.88 2hxd s ALA 148 Cb -0.12 -2.70 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2hxd s ALA 148 CO -0.02 0.13 0.55 1.19 0.00 0.00 0.00 175.76 177.62 2hxd n PHE 149 N 2.95 0.00 0.05 0.00 3.72 -0.19 -4.04 117.46 119.95 2hxd n PHE 149 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 2hxd n PHE 149 Cb 0.51 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 2hxd n PHE 149 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2hxd n ASP 150 N -0.01 0.48 -4.09 4.37 2.03 -1.26 -5.06 116.55 113.01 2hxd n ASP 150 Ca 0.02 0.17 -0.09 0.00 0.52 0.00 0.00 54.79 55.42 2hxd n ASP 150 Cb 0.11 -0.07 -0.10 0.00 -0.72 0.00 0.00 41.12 40.34 2hxd n ASP 150 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2hxd s LYS 151 N -1.66 0.83 0.49 -0.67 -0.14 -1.26 -4.91 119.74 112.41 2hxd s LYS 151 Ca 0.00 -1.30 -0.23 0.00 -1.36 0.00 0.00 55.97 53.08 2hxd s LYS 151 Cb 0.00 0.25 -0.07 0.00 -1.68 0.00 0.00 37.83 36.33 2hxd s LYS 151 CO 0.00 -0.22 1.32 -2.30 -0.76 0.00 0.00 175.35 173.39 2hxd n PRO 152 N -0.03 1.82 -5.02 -1.68 -0.02 -1.26 -4.65 135.00 124.16 2hxd n PRO 152 Ca -0.09 0.66 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 2hxd n PRO 152 Cb 0.63 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.44 2hxd n PRO 152 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2hxd s VAL 153 N -1.26 1.72 -0.25 -1.45 1.01 -0.27 -4.94 120.40 114.97 2hxd s VAL 153 Ca 0.67 -0.85 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 2hxd s VAL 153 Cb -0.45 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2hxd s VAL 153 CO 0.53 0.49 0.69 -0.63 0.00 0.00 0.00 175.10 176.18 2hxd s ILE 154 N 0.19 4.95 -0.09 2.22 1.01 -1.26 -1.08 121.20 127.13 2hxd s ILE 154 Ca -0.10 1.26 -0.00 0.00 0.00 0.00 0.00 60.65 61.80 2hxd s ILE 154 Cb -0.15 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 2hxd s ILE 154 CO 0.05 0.01 -0.05 -0.76 0.00 0.00 0.00 174.94 174.18 2hxd s LEU 155 N 2.54 3.23 -0.10 2.97 1.43 -0.72 -4.99 118.68 123.04 2hxd s LEU 155 Ca 0.29 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 2hxd s LEU 155 Cb -0.15 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.31 2hxd s LEU 155 CO 0.08 0.32 0.00 -0.31 0.23 0.00 0.00 176.35 176.68 2hxd s TYR 156 N -0.56 3.16 0.14 0.29 2.02 -1.26 -1.42 117.35 119.71 2hxd s TYR 156 Ca 0.09 0.15 -0.34 0.00 -0.37 0.00 0.00 57.07 56.59 2hxd s TYR 156 Cb -0.12 -1.82 -0.17 0.00 -0.40 0.00 0.00 41.96 39.46 2hxd s TYR 156 CO 0.02 0.41 1.10 1.17 -1.57 0.00 0.00 175.55 176.68 2hxd n LYS 157 N 2.34 0.85 -0.86 -0.62 4.81 0.39 -2.24 118.16 122.83 2hxd n LYS 157 Ca -0.18 0.30 0.00 0.00 -0.87 0.00 0.00 58.31 57.56 2hxd n LYS 157 Cb 0.53 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.82 2hxd n LYS 157 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2hxd n ASN 158 N 1.98 -1.09 -4.77 3.14 3.02 0.13 -4.95 115.26 112.71 2hxd n ASN 158 Ca 0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.39 2hxd n ASN 158 Cb 0.21 -1.14 0.06 0.00 -0.61 0.00 0.00 39.78 38.30 2hxd n ASN 158 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2hxd s GLN 159 N -0.49 2.66 -0.25 3.52 -2.07 -0.95 -4.46 119.66 117.63 2hxd s GLN 159 Ca 0.00 1.32 -0.29 0.00 -1.82 0.00 0.00 55.36 54.57 2hxd s GLN 159 Cb 0.00 -1.94 0.01 0.00 -1.09 0.00 0.00 33.01 29.99 2hxd s GLN 159 CO 0.00 -1.35 1.03 1.03 -1.32 0.00 0.00 175.29 174.68 2hxd s ARG 160 N -4.33 4.21 -0.08 9.60 0.52 -1.26 -0.04 118.95 127.57 2hxd s ARG 160 Ca 0.65 1.26 0.03 0.00 -0.52 0.00 0.00 55.73 57.16 2hxd s ARG 160 Cb -0.19 -3.66 -0.07 0.00 0.52 0.00 0.00 34.95 31.55 2hxd s ARG 160 CO 0.46 -0.68 -0.03 1.51 0.02 0.00 0.00 175.30 176.58 2hxd n ILE 161 N 5.43 0.48 -2.12 1.52 0.13 -0.91 -4.96 119.36 118.93 2hxd n ILE 161 Ca 0.11 -0.23 0.00 0.00 -1.10 0.00 0.00 62.75 61.53 2hxd n ILE 161 Cb 0.46 -0.81 0.00 0.00 -0.84 0.00 0.00 39.64 38.45 2hxd n ILE 161 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2hxd n GLY 162 N 2.86 2.86 3.24 4.50 0.00 -1.24 -2.08 105.19 115.32 2hxd n GLY 162 Ca -0.13 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 2hxd n GLY 162 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hxd s GLN 163 N 0.71 0.42 -0.13 1.61 -2.07 0.65 -0.83 119.66 120.02 2hxd s GLN 163 Ca 0.00 0.45 -0.18 0.00 -1.82 0.00 0.00 55.36 53.81 2hxd s GLN 163 Cb 0.00 0.20 -0.04 0.00 -1.09 0.00 0.00 33.01 32.08 2hxd s GLN 163 CO 0.00 -0.05 0.48 -0.51 -1.32 0.00 0.00 175.29 173.88 2hxd s LEU 164 N 0.11 4.26 -0.34 2.60 1.43 0.52 -1.66 118.68 125.61 2hxd s LEU 164 Ca -0.01 0.80 -0.01 0.00 -1.03 0.00 0.00 54.13 53.88 2hxd s LEU 164 Cb -0.03 -2.69 0.08 0.00 0.03 0.00 0.00 46.19 43.58 2hxd s LEU 164 CO 0.01 -0.01 0.06 -0.63 0.23 0.00 0.00 176.35 176.01 2hxd s ILE 165 N 0.71 2.94 0.25 -0.59 1.01 -0.34 -0.95 121.20 124.23 2hxd s ILE 165 Ca 0.26 -1.74 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 2hxd s ILE 165 Cb -0.15 -2.86 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 2hxd s ILE 165 CO 0.10 -0.35 0.55 -0.36 0.00 0.00 0.00 174.94 174.88 2hxd s PHE 166 N 1.16 3.44 -0.03 3.97 0.08 -1.26 -1.28 117.98 124.07 2hxd s PHE 166 Ca 0.01 0.80 -0.06 0.00 0.12 0.00 0.00 56.93 57.81 2hxd s PHE 166 Cb -0.21 -2.21 0.01 0.00 -0.57 0.00 0.00 43.02 40.04 2hxd s PHE 166 CO -0.03 0.23 0.13 -1.54 -0.10 0.00 0.00 175.22 173.91 2hxd s SER 167 N -2.63 -0.06 0.14 1.36 1.04 0.02 -1.99 113.70 111.59 2hxd s SER 167 Ca 0.46 0.06 -0.30 0.00 0.48 0.00 0.00 55.95 56.65 2hxd s SER 167 Cb -0.11 0.25 -0.07 0.00 0.10 0.00 0.00 66.02 66.19 2hxd s SER 167 CO 0.24 -0.18 0.98 -0.54 0.98 0.00 0.00 173.24 174.72 2hxd s LYS 168 N -0.56 4.71 0.41 4.02 -0.14 -0.17 -1.09 119.74 126.91 2hxd s LYS 168 Ca -0.06 1.51 -0.23 0.00 -1.36 0.00 0.00 55.97 55.83 2hxd s LYS 168 Cb -0.04 -3.34 -0.10 0.00 -1.68 0.00 0.00 37.83 32.67 2hxd s LYS 168 CO 0.01 0.24 0.99 -0.51 -0.76 0.00 0.00 175.35 175.31 2hxd s LEU 169 N -0.26 4.05 0.10 3.17 1.43 -0.45 -4.71 118.68 122.01 2hxd s LEU 169 Ca 0.46 1.84 -0.23 0.00 -1.03 0.00 0.00 54.13 55.17 2hxd s LEU 169 Cb -0.25 -4.36 -0.12 0.00 0.03 0.00 0.00 46.19 41.50 2hxd s LEU 169 CO 0.31 -0.41 1.72 0.25 0.23 0.00 0.00 176.35 178.45 2hxd h LEU 170 N 2.24 -0.15 -8.55 1.79 5.85 -1.97 -3.43 115.31 111.08 2hxd h LEU 170 Ca -0.48 0.02 -0.38 0.00 0.84 0.00 0.00 57.88 57.88 2hxd h LEU 170 Cb 1.20 0.06 -0.18 0.00 0.37 0.00 0.00 40.66 42.11 2hxd h LEU 170 CO 0.62 -0.08 -0.75 -0.44 -0.34 0.00 0.00 178.44 177.45 2hxd s SER 171 N -5.10 1.80 0.76 1.25 0.01 -1.26 -5.15 113.70 106.00 2hxd s SER 171 Ca -0.14 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 56.19 2hxd s SER 171 Cb 0.07 -0.04 0.05 0.00 0.21 0.00 0.00 66.02 66.31 2hxd s SER 171 CO 0.66 -0.20 1.10 -2.16 0.41 0.00 0.00 173.24 173.05 2hxd s PRO 172 N -2.77 2.42 0.21 12.44 0.04 -1.26 -4.89 135.00 141.18 2hxd s PRO 172 Ca 0.08 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 61.40 2hxd s PRO 172 Cb -0.04 -1.96 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 2hxd s PRO 172 CO 0.02 -1.37 1.09 0.00 0.04 0.00 0.00 177.00 176.78 2hxd s ALA 173 N -3.23 3.38 0.20 8.56 0.00 0.17 -4.95 121.76 125.88 2hxd s ALA 173 Ca 0.60 0.83 -0.11 0.00 0.00 0.00 0.00 51.96 53.27 2hxd s ALA 173 Cb -0.13 -3.34 0.23 0.00 0.00 0.00 0.00 23.12 19.88 2hxd s ALA 173 CO 0.53 -0.18 1.72 -0.44 0.00 0.00 0.00 175.76 177.40 2hxd h ASP 174 N 4.71 0.08 -3.35 0.00 3.32 -1.94 -3.38 116.42 115.87 2hxd h ASP 174 Ca -0.45 0.09 -0.53 0.00 0.02 0.00 0.00 57.03 56.15 2hxd h ASP 174 Cb 1.21 0.10 -0.39 0.00 0.22 0.00 0.00 39.33 40.47 2hxd h ASP 174 CO 0.71 0.06 -0.77 -0.69 -1.72 0.00 0.00 179.24 176.83 2hxd s VAL 175 N -6.12 0.77 0.91 -1.35 1.01 -1.26 -5.13 120.40 109.23 2hxd s VAL 175 Ca -0.13 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2hxd s VAL 175 Cb 0.16 -1.18 0.14 0.00 0.00 0.00 0.00 36.38 35.50 2hxd s VAL 175 CO 0.73 -0.13 1.11 -0.83 0.00 0.00 0.00 175.10 175.98 2hxd s GLY 176 N 1.75 1.66 0.21 4.51 0.00 -1.26 -4.89 107.32 109.30 2hxd s GLY 176 Ca -0.01 0.32 -0.14 0.00 0.00 0.00 0.00 44.72 44.88 2hxd s GLY 176 CO -0.07 0.77 1.62 -1.82 0.00 0.00 0.00 173.10 173.59 2hxd h TYR 177 N -1.75 -0.40 0.00 1.90 3.20 -0.99 -2.13 116.97 116.81 2hxd h TYR 177 Ca -0.47 0.06 -0.03 0.00 3.14 0.00 0.00 58.73 61.43 2hxd h TYR 177 Cb 1.27 0.28 -0.00 0.00 1.54 0.00 0.00 36.73 39.81 2hxd h TYR 177 CO 0.48 -0.29 -0.15 0.77 -1.64 0.00 0.00 178.16 177.32 2hxd h SER 178 N -0.02 0.00 0.91 -2.11 0.02 -1.63 -2.51 113.55 108.23 2hxd h SER 178 Ca 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2hxd h SER 178 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2hxd h SER 178 CO -0.68 0.15 0.00 -0.62 -1.14 0.00 0.00 176.83 174.54 2hxd n GLU 179 N -3.24 0.06 -3.18 3.45 1.02 -0.81 -4.89 120.64 113.05 2hxd n GLU 179 Ca 0.01 0.14 -0.39 0.00 -0.02 0.00 0.00 57.16 56.90 2hxd n GLU 179 Cb 0.44 -1.58 -0.06 0.00 -0.02 0.00 0.00 31.44 30.22 2hxd n GLU 179 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2hxd s ARG 180 N -3.04 4.32 0.19 3.49 0.52 -0.94 -4.97 118.95 118.50 2hxd s ARG 180 Ca 0.11 0.86 -0.03 0.00 -0.52 0.00 0.00 55.73 56.15 2hxd s ARG 180 Cb 0.14 -3.26 0.12 0.00 0.52 0.00 0.00 34.95 32.48 2hxd s ARG 180 CO 0.46 0.59 1.51 0.87 0.02 0.00 0.00 175.30 178.75 2hxd h LYS 181 N 4.58 0.56 0.00 3.54 1.57 -1.90 -3.12 116.57 121.81 2hxd h LYS 181 Ca -0.48 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 57.94 2hxd h LYS 181 Cb 1.21 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.56 2hxd h LYS 181 CO 0.65 0.96 -0.04 1.79 -0.57 0.00 0.00 179.45 182.23 2hxd h THR 182 N 0.44 0.20 -2.75 -0.16 1.35 -1.94 -3.46 112.91 106.58 2hxd h THR 182 Ca 0.01 -0.35 -0.53 0.00 -0.55 0.00 0.00 66.41 65.00 2hxd h THR 182 Cb 1.08 1.28 0.04 0.00 -1.73 0.00 0.00 68.15 68.81 2hxd h THR 182 CO 0.10 0.04 0.94 -0.44 -0.25 0.00 0.00 175.52 175.91 2hxd s SER 183 N -5.67 6.56 -0.03 5.36 0.01 -1.18 -4.94 113.70 113.80 2hxd s SER 183 Ca -0.02 2.61 0.04 0.00 1.31 0.00 0.00 55.95 59.89 2hxd s SER 183 Cb 0.12 -2.58 -0.25 0.00 0.21 0.00 0.00 66.02 63.52 2hxd s SER 183 CO 0.51 -0.86 0.70 0.11 0.41 0.00 0.00 173.24 174.11 2hxd h LYS 184 N 7.32 0.12 -0.07 12.44 1.57 -1.92 -3.41 116.57 132.62 2hxd h LYS 184 Ca -0.43 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 2hxd h LYS 184 Cb 1.20 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.59 2hxd h LYS 184 CO 0.92 0.86 0.00 0.66 -0.57 0.00 0.00 179.45 181.32 2hxd n TYR 185 N -3.27 0.17 -2.17 -1.35 4.02 -1.26 -5.04 117.16 108.25 2hxd n TYR 185 Ca -0.19 -0.72 -0.41 0.00 -0.01 0.00 0.00 57.90 56.58 2hxd n TYR 185 Cb 1.04 -0.11 -0.02 0.00 -0.02 0.00 0.00 39.34 40.22 2hxd n TYR 185 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2hxd s ALA 186 N -1.88 3.49 -0.77 -0.72 0.00 -1.26 -3.69 121.76 116.92 2hxd s ALA 186 Ca 0.19 1.20 -0.04 0.00 0.00 0.00 0.00 51.96 53.31 2hxd s ALA 186 Cb 0.15 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2hxd s ALA 186 CO 0.04 -0.57 0.67 0.66 0.00 0.00 0.00 175.76 176.57 2hxd n TYR 187 N 0.93 -1.61 -2.55 0.00 4.02 0.14 -4.96 117.16 113.14 2hxd n TYR 187 Ca 0.00 0.58 -0.43 0.00 -0.01 0.00 0.00 57.90 58.04 2hxd n TYR 187 Cb 0.42 -3.43 -0.02 0.00 -0.02 0.00 0.00 39.34 36.29 2hxd n TYR 187 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 176.86 174.71 2hxd s GLN 188 N -5.59 3.72 0.01 -0.72 0.74 -1.24 -4.88 119.66 111.69 2hxd s GLN 188 Ca 0.28 0.69 0.22 0.00 0.05 0.00 0.00 55.36 56.60 2hxd s GLN 188 Cb -0.12 -3.92 -0.13 0.00 1.10 0.00 0.00 33.01 29.93 2hxd s GLN 188 CO 0.42 -1.39 0.87 1.63 -0.55 0.00 0.00 175.29 176.28 2hxd n LYS 189 N 7.82 0.23 -1.17 1.67 5.02 -1.26 0.89 118.16 131.36 2hxd n LYS 189 Ca 0.13 -0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2hxd n LYS 189 Cb 0.49 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 2hxd n LYS 189 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2hxd n SER 190 N -1.80 0.00 -4.72 4.39 2.88 -1.26 -4.92 113.62 108.18 2hxd n SER 190 Ca 0.02 -0.92 -0.42 0.00 -1.33 0.00 0.00 58.87 56.22 2hxd n SER 190 Cb 0.41 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.85 2hxd n SER 190 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2hxd s VAL 191 N -2.70 2.42 -0.06 2.46 0.11 -1.26 -4.82 120.40 116.55 2hxd s VAL 191 Ca 0.00 0.31 0.02 0.00 -2.93 0.00 0.00 61.98 59.38 2hxd s VAL 191 Cb 0.00 -3.20 0.01 0.00 -1.53 0.00 0.00 36.38 31.67 2hxd s VAL 191 CO 0.00 0.03 -0.11 -0.32 -3.33 0.00 0.00 175.10 171.37 2hxd s MET 192 N 0.86 1.57 1.06 1.54 1.75 -1.26 -4.97 119.30 119.84 2hxd s MET 192 Ca 0.70 -0.36 -0.15 0.00 -1.25 0.00 0.00 55.69 54.62 2hxd s MET 192 Cb -0.45 -1.33 0.22 0.00 2.84 0.00 0.00 34.83 36.10 2hxd s MET 192 CO 0.34 -0.00 1.13 -1.25 -0.65 0.00 0.00 175.02 174.59 2hxd s PRO 193 N 0.75 -0.05 0.17 4.11 0.04 -1.26 -4.96 135.00 133.79 2hxd s PRO 193 Ca -0.13 0.16 -0.32 0.00 0.04 0.00 0.00 61.00 60.75 2hxd s PRO 193 Cb -0.15 -1.71 -0.10 0.00 0.04 0.00 0.00 34.50 32.57 2hxd s PRO 193 CO 0.03 -2.98 1.59 0.45 0.04 0.00 0.00 177.00 176.13 2hxd s SER 194 N -3.86 6.57 -0.25 6.66 0.15 -1.26 -4.93 113.70 116.78 2hxd s SER 194 Ca 0.68 2.64 0.13 0.00 0.70 0.00 0.00 55.95 60.09 2hxd s SER 194 Cb -0.13 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 62.14 2hxd s SER 194 CO 0.56 -0.84 1.51 0.18 1.20 0.00 0.00 173.24 175.85 2hxd n LEU 195 N 4.03 4.39 0.16 3.45 4.77 -1.26 -4.77 117.00 127.77 2hxd n LEU 195 Ca 0.14 -3.33 0.18 0.00 -0.03 0.00 0.00 56.01 52.97 2hxd n LEU 195 Cb 0.38 -0.62 0.79 0.00 -2.33 0.00 0.00 43.42 41.65 2hxd n LEU 195 CO 0.62 0.91 1.16 -0.29 -1.33 0.00 0.00 177.39 178.45 2hxd h ILE 196 N 1.60 0.46 0.00 -0.08 2.10 -1.91 0.12 117.51 119.80 2hxd h ILE 196 Ca 0.14 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.08 2hxd h ILE 196 Cb 1.70 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2hxd h ILE 196 CO 0.39 0.00 0.07 0.00 -1.08 0.00 0.00 178.15 177.53 2hxd n HIS 197 N -3.81 0.12 1.34 2.19 1.44 -1.02 -1.84 115.22 113.63 2hxd n HIS 197 Ca 0.04 0.06 0.12 0.00 -2.01 0.00 0.00 57.72 55.93 2hxd n HIS 197 Cb 0.43 -0.53 0.44 0.00 0.12 0.00 0.00 29.99 30.45 2hxd n HIS 197 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 2hxd n LEU 198 N -1.57 1.65 0.00 2.39 4.77 0.03 -4.89 117.00 119.37 2hxd n LEU 198 Ca -0.00 -0.62 0.01 0.00 -0.03 0.00 0.00 56.01 55.36 2hxd n LEU 198 Cb 0.08 -0.05 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2hxd n LEU 198 CO 0.02 0.31 0.29 0.47 -1.33 0.00 0.00 177.39 177.15