#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xtn s PRO 8 N 0.00 4.40 -0.08 0.00 0.04 -1.26 -4.68 135.00 133.42 1xtn s PRO 8 Ca 0.00 1.23 0.03 0.00 0.04 0.00 0.00 61.00 62.30 1xtn s PRO 8 Cb 0.00 -2.49 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 1xtn s PRO 8 CO 0.00 0.11 -0.16 -1.54 0.04 0.00 0.00 177.00 175.46 1xtn s SER 9 N -1.89 3.84 0.11 6.66 1.04 -0.37 -4.88 113.70 118.20 1xtn s SER 9 Ca 0.56 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.70 1xtn s SER 9 Cb -0.14 -1.09 -0.04 0.00 0.10 0.00 0.00 66.02 64.84 1xtn s SER 9 CO 0.19 0.27 -0.04 0.68 0.98 0.00 0.00 173.24 175.32 1xtn s VAL 10 N -0.27 0.54 0.09 5.02 -7.23 -1.26 -1.16 120.40 116.14 1xtn s VAL 10 Ca 0.01 -1.92 -0.19 0.00 -1.81 0.00 0.00 61.98 58.07 1xtn s VAL 10 Cb -0.13 -1.76 0.05 0.00 0.56 0.00 0.00 36.38 35.09 1xtn s VAL 10 CO 0.03 -0.79 0.47 -0.94 -0.31 0.00 0.00 175.10 173.56 1xtn s SER 11 N -3.04 -0.36 -0.54 4.85 1.04 -0.89 -4.98 113.70 109.78 1xtn s SER 11 Ca 0.14 -0.07 0.04 0.00 0.48 0.00 0.00 55.95 56.54 1xtn s SER 11 Cb 0.06 0.49 0.15 0.00 0.10 0.00 0.00 66.02 66.83 1xtn s SER 11 CO -0.04 -0.80 0.35 -0.63 0.98 0.00 0.00 173.24 173.10 1xtn s ILE 12 N -3.18 1.86 0.17 -1.02 1.01 -1.26 -0.59 121.20 118.18 1xtn s ILE 12 Ca -0.01 -3.28 0.23 0.00 0.00 0.00 0.00 60.65 57.59 1xtn s ILE 12 Cb 0.00 -2.26 0.22 0.00 0.01 0.00 0.00 42.46 40.43 1xtn s ILE 12 CO -0.08 -0.99 1.83 1.55 0.00 0.00 0.00 174.94 177.25 1xtn h PRO 13 N 6.01 0.00 0.00 2.79 0.13 -1.98 -3.47 132.00 135.48 1xtn h PRO 13 Ca 0.09 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.24 1xtn h PRO 13 Cb 0.86 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 1xtn h PRO 13 CO 0.57 0.25 0.17 -1.13 -0.23 0.00 0.00 178.00 177.62 1xtn n SER 14 N -3.45 -0.91 -3.74 1.44 3.41 -1.26 -5.06 113.62 104.05 1xtn n SER 14 Ca -0.00 -1.59 -0.10 0.00 -0.26 0.00 0.00 58.87 56.93 1xtn n SER 14 Cb 0.43 1.51 -0.04 0.00 -0.26 0.00 0.00 64.21 65.85 1xtn n SER 14 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1xtn s SER 15 N -1.95 -0.27 0.02 4.04 1.04 -1.26 -1.05 113.70 114.26 1xtn s SER 15 Ca 0.08 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 55.98 1xtn s SER 15 Cb -0.02 0.59 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1xtn s SER 15 CO 0.04 -1.07 0.09 -1.81 0.98 0.00 0.00 173.24 171.47 1xtn s ASP 16 N -2.87 0.12 0.23 7.02 1.11 -0.69 -4.96 116.67 116.62 1xtn s ASP 16 Ca 0.09 -0.37 -0.25 0.00 0.18 0.00 0.00 52.55 52.20 1xtn s ASP 16 Cb -0.01 0.19 -0.09 0.00 1.07 0.00 0.00 42.92 44.08 1xtn s ASP 16 CO -0.02 -0.40 0.83 -0.70 1.18 0.00 0.00 175.17 176.06 1xtn s GLU 17 N -1.76 4.55 0.14 8.23 2.12 -1.26 -0.74 118.70 129.97 1xtn s GLU 17 Ca -0.12 1.19 0.08 0.00 0.36 0.00 0.00 54.97 56.48 1xtn s GLU 17 Cb -0.06 -3.07 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 1xtn s GLU 17 CO -0.01 0.45 -0.19 -1.01 -0.54 0.00 0.00 175.26 173.97 1xtn s HIS 18 N -1.35 1.79 -0.03 5.30 3.76 0.05 -4.92 115.29 119.89 1xtn s HIS 18 Ca 0.42 -0.45 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 1xtn s HIS 18 Cb -0.21 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.55 1xtn s HIS 18 CO 0.25 0.27 -0.09 1.03 -0.85 0.00 0.00 174.74 175.35 1xtn s ARG 19 N -2.43 0.99 -0.18 1.40 0.52 -1.26 -1.80 118.95 116.19 1xtn s ARG 19 Ca 0.12 -0.32 -0.10 0.00 -0.52 0.00 0.00 55.73 54.90 1xtn s ARG 19 Cb -0.07 -0.92 0.06 0.00 0.52 0.00 0.00 34.95 34.54 1xtn s ARG 19 CO 0.05 0.12 0.44 -2.00 0.02 0.00 0.00 175.30 173.94 1xtn s GLU 20 N 0.17 0.43 -1.42 3.54 2.12 -0.51 -4.93 118.70 118.10 1xtn s GLU 20 Ca -0.03 0.83 -0.03 0.00 0.36 0.00 0.00 54.97 56.10 1xtn s GLU 20 Cb -0.08 0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.33 1xtn s GLU 20 CO 0.00 -0.15 0.58 1.63 -0.54 0.00 0.00 175.26 176.79 1xtn n LYS 21 N 4.21 -3.94 -1.30 4.30 5.02 -1.26 -1.29 118.16 123.90 1xtn n LYS 21 Ca -0.23 0.48 -0.11 0.00 -2.02 0.00 0.00 58.31 56.44 1xtn n LYS 21 Cb 0.56 -4.85 -0.05 0.00 -0.02 0.00 0.00 35.03 30.67 1xtn n LYS 21 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 1xtn n LYS 22 N -4.39 -1.71 -4.80 1.97 4.81 -1.26 -4.98 118.16 107.79 1xtn n LYS 22 Ca -0.24 0.87 -0.33 0.00 -0.87 0.00 0.00 58.31 57.74 1xtn n LYS 22 Cb 0.65 -5.28 -0.13 0.00 0.02 0.00 0.00 35.03 30.29 1xtn n LYS 22 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1xtn s LYS 23 N -2.89 2.70 0.14 1.64 1.02 -0.41 -5.13 119.74 116.81 1xtn s LYS 23 Ca 0.00 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.36 1xtn s LYS 23 Cb 0.00 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1xtn s LYS 23 CO 0.00 0.57 0.28 1.03 -0.92 0.00 0.00 175.35 176.31 1xtn s ARG 24 N -0.59 3.44 -0.15 1.68 0.52 -1.26 -1.42 118.95 121.17 1xtn s ARG 24 Ca 0.09 -0.58 -0.30 0.00 -0.52 0.00 0.00 55.73 54.42 1xtn s ARG 24 Cb -0.11 -2.97 0.11 0.00 0.52 0.00 0.00 34.95 32.50 1xtn s ARG 24 CO 0.01 0.53 0.93 -0.59 0.02 0.00 0.00 175.30 176.20 1xtn s PHE 25 N -1.73 -0.44 0.04 -0.53 -0.71 -0.74 -5.01 117.98 108.86 1xtn s PHE 25 Ca 0.35 0.79 -0.20 0.00 -1.04 0.00 0.00 56.93 56.83 1xtn s PHE 25 Cb -0.11 0.43 -0.06 0.00 -1.21 0.00 0.00 43.02 42.07 1xtn s PHE 25 CO 0.28 -0.39 0.57 0.99 -1.34 0.00 0.00 175.22 175.34 1xtn s THR 26 N -0.99 4.82 -0.23 -4.49 2.01 -1.26 -0.77 115.64 114.72 1xtn s THR 26 Ca -0.03 1.22 0.02 0.00 0.31 0.00 0.00 61.69 63.21 1xtn s THR 26 Cb -0.01 -3.91 0.05 0.00 0.01 0.00 0.00 72.50 68.64 1xtn s THR 26 CO 0.03 0.50 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.62 1xtn s VAL 27 N -0.70 2.08 0.17 3.82 1.01 0.08 -4.13 120.40 122.73 1xtn s VAL 27 Ca 0.30 -1.35 -0.30 0.00 0.00 0.00 0.00 61.98 60.63 1xtn s VAL 27 Cb -0.19 -2.09 -0.07 0.00 0.00 0.00 0.00 36.38 34.03 1xtn s VAL 27 CO 0.18 0.18 0.98 -0.31 0.00 0.00 0.00 175.10 176.12 1xtn s TYR 28 N 1.19 3.84 -0.27 5.22 2.02 -0.12 -1.70 117.35 127.53 1xtn s TYR 28 Ca -0.04 1.81 -0.15 0.00 -0.37 0.00 0.00 57.07 58.33 1xtn s TYR 28 Cb -0.17 -3.07 -0.04 0.00 -0.40 0.00 0.00 41.96 38.28 1xtn s TYR 28 CO -0.08 0.15 0.36 0.21 -1.57 0.00 0.00 175.55 174.62 1xtn s LYS 29 N -0.52 3.99 -0.17 -0.62 2.20 -0.22 -2.14 119.74 122.26 1xtn s LYS 29 Ca 0.45 -0.01 -0.04 0.00 -0.36 0.00 0.00 55.97 56.01 1xtn s LYS 29 Cb -0.25 -3.66 -0.02 0.00 -1.51 0.00 0.00 37.83 32.38 1xtn s LYS 29 CO 0.32 -0.28 -0.04 0.08 -0.36 0.00 0.00 175.35 175.06 1xtn s VAL 30 N 2.04 3.72 -0.23 4.02 1.01 0.65 -3.58 120.40 128.02 1xtn s VAL 30 Ca 0.14 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1xtn s VAL 30 Cb -0.16 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.54 1xtn s VAL 30 CO 0.10 0.47 0.38 -0.76 0.00 0.00 0.00 175.10 175.29 1xtn s LEU 31 N 0.68 4.11 -0.13 3.92 1.43 0.24 -0.83 118.68 128.10 1xtn s LEU 31 Ca -0.02 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 1xtn s LEU 31 Cb -0.15 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.61 1xtn s LEU 31 CO 0.02 -0.12 -0.19 -0.69 0.23 0.00 0.00 176.35 175.61 1xtn s VAL 32 N 1.61 2.43 -0.04 -1.59 1.01 -0.35 -2.10 120.40 121.37 1xtn s VAL 32 Ca 0.17 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.32 1xtn s VAL 32 Cb -0.15 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.25 1xtn s VAL 32 CO 0.08 0.54 -0.15 -0.44 0.00 0.00 0.00 175.10 175.13 1xtn s SER 33 N 0.57 1.93 -0.23 3.32 0.01 -0.31 -1.06 113.70 117.94 1xtn s SER 33 Ca -0.11 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.79 1xtn s SER 33 Cb -0.16 -0.58 0.08 0.00 0.21 0.00 0.00 66.02 65.56 1xtn s SER 33 CO 0.04 0.12 0.10 -0.69 0.41 0.00 0.00 173.24 173.22 1xtn s VAL 34 N 0.15 0.00 0.00 3.43 1.01 -0.52 -1.24 120.40 123.24 1xtn s VAL 34 Ca -0.05 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1xtn s VAL 34 Cb -0.12 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.44 1xtn s VAL 34 CO 0.02 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.24 1xtn n GLY 35 N 5.23 2.47 0.22 4.51 0.00 -1.26 -2.47 105.19 113.89 1xtn n GLY 35 Ca -0.06 -0.31 0.13 0.00 0.00 0.00 0.00 46.02 45.77 1xtn n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xtn n ARG 36 N 12.94 0.79 -4.10 1.61 5.12 -1.26 -4.91 116.66 126.85 1xtn n ARG 36 Ca 0.00 -0.45 -0.26 0.00 -1.93 0.00 0.00 57.85 55.21 1xtn n ARG 36 Cb 0.00 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.75 1xtn n ARG 36 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1xtn s SER 37 N -2.52 5.42 -0.12 0.55 0.01 -1.03 -5.13 113.70 110.88 1xtn s SER 37 Ca 0.24 -0.17 -0.15 0.00 1.31 0.00 0.00 55.95 57.18 1xtn s SER 37 Cb 0.19 -1.39 0.04 0.00 0.21 0.00 0.00 66.02 65.07 1xtn s SER 37 CO 0.52 0.07 0.41 -0.70 0.41 0.00 0.00 173.24 173.95 1xtn s GLU 38 N -3.09 0.55 0.26 12.44 2.12 -1.26 -1.44 118.70 128.29 1xtn s GLU 38 Ca 0.30 0.41 -0.09 0.00 0.36 0.00 0.00 54.97 55.95 1xtn s GLU 38 Cb -0.10 0.26 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 1xtn s GLU 38 CO 0.23 -0.10 0.42 1.67 -0.54 0.00 0.00 175.26 176.94 1xtn s TRP 39 N -0.17 0.64 -0.04 5.30 -2.14 -0.22 -5.00 118.94 117.31 1xtn s TRP 39 Ca -0.03 -0.96 -0.01 0.00 2.66 0.00 0.00 56.10 57.76 1xtn s TRP 39 Cb -0.03 0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.32 1xtn s TRP 39 CO 0.02 -0.97 0.03 -0.06 -2.66 0.00 0.00 176.95 173.31 1xtn s PHE 40 N -3.81 3.20 -0.03 1.66 0.40 -1.26 -1.21 117.98 116.94 1xtn s PHE 40 Ca 0.27 0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.82 1xtn s PHE 40 Cb 0.01 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.78 1xtn s PHE 40 CO 0.12 0.51 -0.13 0.08 0.70 0.00 0.00 175.22 176.50 1xtn s VAL 41 N -1.04 1.07 -0.25 -0.44 1.01 -0.01 -4.98 120.40 115.77 1xtn s VAL 41 Ca 0.18 -0.52 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1xtn s VAL 41 Cb -0.12 -0.93 0.01 0.00 0.00 0.00 0.00 36.38 35.35 1xtn s VAL 41 CO 0.08 0.32 -0.03 -0.36 0.00 0.00 0.00 175.10 175.10 1xtn s PHE 42 N 0.08 3.05 -0.00 5.22 0.40 -1.26 -0.26 117.98 125.20 1xtn s PHE 42 Ca -0.02 -1.28 0.01 0.00 -0.60 0.00 0.00 56.93 55.04 1xtn s PHE 42 Cb -0.09 -2.11 -0.00 0.00 0.51 0.00 0.00 43.02 41.33 1xtn s PHE 42 CO 0.01 -0.65 -0.04 1.03 0.70 0.00 0.00 175.22 176.26 1xtn s ARG 43 N 1.40 0.36 0.46 0.44 1.81 -0.91 -4.95 118.95 117.56 1xtn s ARG 43 Ca 0.02 -0.17 0.00 0.00 -1.72 0.00 0.00 55.73 53.87 1xtn s ARG 43 Cb -0.16 -0.34 -0.00 0.00 -0.45 0.00 0.00 34.95 34.00 1xtn s ARG 43 CO -0.03 0.09 0.69 -0.98 -0.68 0.00 0.00 175.30 174.39 1xtn s ARG 44 N -0.14 3.02 0.27 3.54 1.70 -1.26 -0.94 118.95 125.15 1xtn s ARG 44 Ca 0.01 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 54.78 1xtn s ARG 44 Cb -0.02 -2.55 0.58 0.00 -0.57 0.00 0.00 34.95 32.39 1xtn s ARG 44 CO -0.00 -0.32 1.76 -0.92 -1.08 0.00 0.00 175.30 174.75 1xtn h TYR 45 N 0.36 0.82 -0.76 5.89 3.20 -2.01 -1.48 116.97 123.00 1xtn h TYR 45 Ca -0.46 0.03 0.16 0.00 3.14 0.00 0.00 58.73 61.60 1xtn h TYR 45 Cb 1.26 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 39.25 1xtn h TYR 45 CO 0.45 0.19 0.51 0.00 -1.64 0.00 0.00 178.16 177.66 1xtn h ALA 46 N 1.58 2.16 -0.01 1.82 0.00 -1.94 0.51 119.26 123.39 1xtn h ALA 46 Ca 0.49 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.18 1xtn h ALA 46 Cb 0.71 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1xtn h ALA 46 CO -0.37 -0.37 -0.92 0.93 0.00 0.00 0.00 179.25 178.53 1xtn h GLU 47 N 0.38 0.38 -0.45 0.00 5.08 -1.65 -0.74 114.58 117.58 1xtn h GLU 47 Ca 0.37 -0.40 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 1xtn h GLU 47 Cb 0.90 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 1xtn h GLU 47 CO -0.11 1.07 0.08 0.74 -1.00 0.00 0.00 179.01 179.79 1xtn h PHE 48 N 0.22 0.79 -0.26 4.33 0.04 -1.04 -2.17 116.94 118.84 1xtn h PHE 48 Ca -0.07 -0.11 0.01 0.00 2.80 0.00 0.00 57.97 60.60 1xtn h PHE 48 Cb 1.55 -0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.46 1xtn h PHE 48 CO 0.05 0.74 0.14 0.22 -0.60 0.00 0.00 178.31 178.87 1xtn h ASP 49 N 0.61 0.23 -0.45 2.17 3.58 -0.86 -0.79 116.42 120.90 1xtn h ASP 49 Ca 0.14 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1xtn h ASP 49 Cb 0.38 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.36 1xtn h ASP 49 CO 0.01 0.17 0.22 0.50 -2.88 0.00 0.00 179.24 177.26 1xtn h LYS 50 N 0.30 0.69 -0.23 0.28 3.64 -1.07 -0.52 116.57 119.66 1xtn h LYS 50 Ca 0.10 -0.09 -0.19 0.00 -1.27 0.00 0.00 60.65 59.21 1xtn h LYS 50 Cb 0.01 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1xtn h LYS 50 CO -0.06 0.55 -0.61 1.25 -2.27 0.00 0.00 179.45 178.31 1xtn h LEU 51 N 0.69 0.88 -0.32 5.20 5.85 -0.90 -2.17 115.31 124.54 1xtn h LEU 51 Ca 0.17 -0.50 -0.04 0.00 0.84 0.00 0.00 57.88 58.35 1xtn h LEU 51 Cb 0.10 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1xtn h LEU 51 CO -0.02 1.28 0.05 0.22 -0.34 0.00 0.00 178.44 179.63 1xtn h TYR 52 N 0.58 0.56 0.10 1.25 3.20 -0.76 -0.04 116.97 121.86 1xtn h TYR 52 Ca -0.00 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.78 1xtn h TYR 52 Cb 1.21 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.33 1xtn h TYR 52 CO 0.07 0.61 -0.05 -0.91 -1.64 0.00 0.00 178.16 176.24 1xtn h ASN 53 N 0.36 -0.11 -0.17 -2.11 -0.26 -1.11 0.27 115.58 112.45 1xtn h ASN 53 Ca 0.10 -0.07 0.05 0.00 -0.56 0.00 0.00 56.30 55.82 1xtn h ASN 53 Cb 0.35 0.03 -0.06 0.00 -1.06 0.00 0.00 38.32 37.57 1xtn h ASN 53 CO 0.01 -0.00 -0.24 -1.28 -1.06 0.00 0.00 177.43 174.85 1xtn h SER 54 N -0.21 -0.76 -0.51 5.81 0.87 -1.37 -0.87 113.55 116.51 1xtn h SER 54 Ca -0.01 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1xtn h SER 54 Cb 0.17 0.35 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1xtn h SER 54 CO 0.02 -0.29 0.08 -0.07 -0.53 0.00 0.00 176.83 176.05 1xtn h LEU 55 N -0.29 0.85 -1.09 2.23 3.38 -0.75 -2.65 115.31 117.00 1xtn h LEU 55 Ca 0.11 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1xtn h LEU 55 Cb 0.46 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1xtn h LEU 55 CO -0.34 0.86 -0.06 0.50 0.09 0.00 0.00 178.44 179.49 1xtn h LYS 56 N 0.85 0.57 -1.86 1.13 3.64 -0.08 -1.25 116.57 119.57 1xtn h LYS 56 Ca 0.17 -0.15 -0.23 0.00 -1.27 0.00 0.00 60.65 59.17 1xtn h LYS 56 Cb 0.38 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 32.05 1xtn h LYS 56 CO 0.01 0.64 0.10 1.17 -2.27 0.00 0.00 179.45 179.10 1xtn n LYS 57 N -4.23 1.72 0.00 1.90 3.00 -0.36 -2.85 118.16 117.34 1xtn n LYS 57 Ca 0.01 -1.11 0.00 0.00 -0.00 0.00 0.00 58.31 57.21 1xtn n LYS 57 Cb 0.30 -1.62 0.00 0.00 0.00 0.00 0.00 35.03 33.71 1xtn n LYS 57 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 1xtn n GLN 58 N 1.29 0.00 -2.59 1.64 7.27 -1.04 -4.97 117.38 118.98 1xtn n GLN 58 Ca 0.28 0.00 -0.18 0.00 0.07 0.00 0.00 57.00 57.17 1xtn n GLN 58 Cb 0.63 0.00 0.01 0.00 2.41 0.00 0.00 30.24 33.29 1xtn n GLN 58 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 1xtn n PHE 59 N -0.29 2.21 0.17 3.69 3.01 -0.50 -4.92 117.46 120.84 1xtn n PHE 59 Ca 0.00 -2.97 0.05 0.00 1.01 0.00 0.00 57.45 55.54 1xtn n PHE 59 Cb 0.00 -0.24 0.28 0.00 -0.01 0.00 0.00 39.48 39.51 1xtn n PHE 59 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xtn h PRO 60 N 2.81 0.00 0.00 -1.08 0.13 -1.76 0.96 132.00 133.05 1xtn h PRO 60 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1xtn h PRO 60 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1xtn h PRO 60 CO 0.66 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 177.84 1xtn n ALA 61 N -1.50 3.21 0.19 -0.56 0.00 -1.26 -3.99 120.51 116.60 1xtn n ALA 61 Ca -0.01 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.17 1xtn n ALA 61 Cb 0.44 -1.14 0.36 0.00 0.00 0.00 0.00 19.45 19.11 1xtn n ALA 61 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 1xtn h MET 62 N 0.00 0.00 -5.34 0.00 -1.53 0.56 -3.48 114.93 105.15 1xtn h MET 62 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1xtn h MET 62 Cb 0.64 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.69 1xtn h MET 62 CO 0.00 0.39 -0.31 0.00 0.14 0.00 0.00 176.91 177.13 1xtn n ALA 63 N -2.42 -2.80 -2.75 0.39 0.00 -1.26 -4.99 120.51 106.69 1xtn n ALA 63 Ca -0.02 0.68 -0.36 0.00 0.00 0.00 0.00 53.44 53.75 1xtn n ALA 63 Cb 0.44 -2.83 -0.07 0.00 0.00 0.00 0.00 19.45 16.99 1xtn n ALA 63 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xtn s LEU 64 N -3.20 4.27 -0.04 0.00 1.43 -1.26 -5.09 118.68 114.79 1xtn s LEU 64 Ca 0.15 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.67 1xtn s LEU 64 Cb -0.04 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 1xtn s LEU 64 CO 0.76 0.22 -0.17 -0.54 0.23 0.00 0.00 176.35 176.85 1xtn s LYS 65 N -0.01 2.42 -0.02 1.70 3.01 -1.26 -5.08 119.74 120.50 1xtn s LYS 65 Ca 0.12 -0.76 0.01 0.00 -1.01 0.00 0.00 55.97 54.34 1xtn s LYS 65 Cb -0.12 -2.29 0.01 0.00 -1.01 0.00 0.00 37.83 34.41 1xtn s LYS 65 CO 0.01 0.59 -0.04 -1.50 0.51 0.00 0.00 175.35 174.93 1xtn s ILE 66 N -0.67 0.39 0.61 2.17 2.07 -1.26 -4.56 121.20 119.95 1xtn s ILE 66 Ca 0.10 -0.15 -0.19 0.00 -1.41 0.00 0.00 60.65 59.00 1xtn s ILE 66 Cb -0.11 -0.37 -0.03 0.00 0.13 0.00 0.00 42.46 42.08 1xtn s ILE 66 CO 0.00 0.14 1.22 -0.81 -1.91 0.00 0.00 174.94 173.58 1xtn n PRO 67 N 3.36 1.18 -1.79 3.50 -0.04 -1.26 -4.94 135.00 135.00 1xtn n PRO 67 Ca -0.18 0.45 -0.30 0.00 -0.04 0.00 0.00 63.50 63.43 1xtn n PRO 67 Cb 0.55 -2.44 0.05 0.00 -0.04 0.00 0.00 33.50 31.62 1xtn n PRO 67 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xtn s ALA 68 N -1.40 2.80 0.68 0.55 0.00 -1.26 -5.06 121.76 118.08 1xtn s ALA 68 Ca 0.78 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 1xtn s ALA 68 Cb -0.40 -3.06 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1xtn s ALA 68 CO 0.44 -1.17 1.11 0.15 0.00 0.00 0.00 175.76 176.29 1xtn s LYS 69 N -5.26 2.67 -0.25 0.00 1.02 -1.26 -5.04 119.74 111.62 1xtn s LYS 69 Ca 0.58 1.38 -0.01 0.00 0.02 0.00 0.00 55.97 57.95 1xtn s LYS 69 Cb -0.12 -1.93 0.04 0.00 -0.52 0.00 0.00 37.83 35.29 1xtn s LYS 69 CO 0.53 -1.35 -0.07 0.50 -0.92 0.00 0.00 175.35 174.04 1xtn s ARG 70 N -4.20 2.66 -0.11 1.68 6.06 -1.26 -5.00 118.95 118.78 1xtn s ARG 70 Ca 0.67 -1.09 0.19 0.00 -2.50 0.00 0.00 55.73 53.00 1xtn s ARG 70 Cb -0.20 -2.97 -0.27 0.00 0.06 0.00 0.00 34.95 31.56 1xtn s ARG 70 CO 0.44 -0.46 0.30 0.44 -2.50 0.00 0.00 175.30 173.52 1xtn n ILE 71 N 4.61 0.84 -4.73 4.11 -5.35 -1.26 -4.88 119.36 112.70 1xtn n ILE 71 Ca -0.16 -0.71 -0.24 0.00 -0.27 0.00 0.00 62.75 61.38 1xtn n ILE 71 Cb 0.46 -0.31 -0.16 0.00 -1.74 0.00 0.00 39.64 37.89 1xtn n ILE 71 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1xtn s PHE 72 N -2.93 1.47 0.00 4.28 0.08 -1.26 -5.08 117.98 114.54 1xtn s PHE 72 Ca -0.09 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.61 1xtn s PHE 72 Cb 0.09 -0.98 0.00 0.00 -0.57 0.00 0.00 43.02 41.57 1xtn s PHE 72 CO 0.86 -0.09 0.00 0.41 -0.10 0.00 0.00 175.22 176.30 1xtn n GLY 73 N 2.96 2.70 3.56 4.36 0.00 -1.26 -4.99 105.19 112.51 1xtn n GLY 73 Ca -0.16 -2.06 -0.43 0.00 0.00 0.00 0.00 46.02 43.36 1xtn n GLY 73 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xtn s ASP 74 N 0.00 6.48 0.03 1.61 3.68 -1.26 -4.90 116.67 122.31 1xtn s ASP 74 Ca 0.00 0.11 0.17 0.00 2.13 0.00 0.00 52.55 54.97 1xtn s ASP 74 Cb 0.00 -2.40 0.74 0.00 -1.45 0.00 0.00 42.92 39.81 1xtn s ASP 74 CO 0.00 -0.85 1.55 -3.20 0.13 0.00 0.00 175.17 172.80 1xtn n ASN 75 N 6.63 0.09 -0.40 -0.34 5.15 -1.26 -2.69 115.26 122.43 1xtn n ASN 75 Ca 0.03 0.52 0.04 0.00 -0.60 0.00 0.00 54.58 54.57 1xtn n ASN 75 Cb 0.48 -0.54 0.11 0.00 -0.53 0.00 0.00 39.78 39.31 1xtn n ASN 75 CO 0.00 0.00 0.00 0.49 1.40 0.00 0.00 177.26 179.15 1xtn n PHE 76 N -1.59 0.32 -1.83 1.20 3.01 -1.26 -4.79 117.46 112.52 1xtn n PHE 76 Ca 0.04 -0.58 -0.42 0.00 1.01 0.00 0.00 57.45 57.49 1xtn n PHE 76 Cb 0.20 -0.08 -0.03 0.00 -0.01 0.00 0.00 39.48 39.56 1xtn n PHE 76 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1xtn s ASP 77 N -1.26 6.55 0.32 4.37 2.15 -1.10 -4.89 116.67 122.81 1xtn s ASP 77 Ca 0.18 2.49 0.10 0.00 0.43 0.00 0.00 52.55 55.75 1xtn s ASP 77 Cb 0.12 -2.54 0.93 0.00 -0.30 0.00 0.00 42.92 41.13 1xtn s ASP 77 CO 0.09 -0.99 1.67 1.55 -0.17 0.00 0.00 175.17 177.31 1xtn h PRO 78 N 9.89 0.31 0.00 4.34 0.13 -1.94 0.02 132.00 144.74 1xtn h PRO 78 Ca -0.45 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1xtn h PRO 78 Cb 1.21 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1xtn h PRO 78 CO 0.95 0.20 -0.29 -0.40 -0.23 0.00 0.00 178.00 178.23 1xtn n ASP 79 N -5.09 0.63 -0.06 1.44 5.68 -1.26 -1.92 116.55 115.97 1xtn n ASP 79 Ca 0.28 0.31 -0.13 0.00 -0.50 0.00 0.00 54.79 54.74 1xtn n ASP 79 Cb 0.85 -0.29 -0.07 0.00 -1.14 0.00 0.00 41.12 40.47 1xtn n ASP 79 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 1xtn h PHE 80 N 0.00 0.50 -0.69 2.11 3.04 -1.38 -1.84 116.94 118.69 1xtn h PHE 80 Ca 0.00 -0.16 -0.05 0.00 3.98 0.00 0.00 57.97 61.74 1xtn h PHE 80 Cb 0.69 -0.10 -0.03 0.00 2.56 0.00 0.00 35.95 39.06 1xtn h PHE 80 CO 0.00 0.81 0.22 0.82 -2.02 0.00 0.00 178.31 178.14 1xtn h ILE 81 N 0.04 1.25 -0.42 1.41 2.04 -1.34 0.48 117.51 120.98 1xtn h ILE 81 Ca 0.02 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 1xtn h ILE 81 Cb 0.74 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 1xtn h ILE 81 CO 0.05 0.34 0.05 0.50 0.00 0.00 0.00 178.15 179.08 1xtn h LYS 82 N 1.02 0.65 -0.12 2.37 3.64 -1.33 0.30 116.57 123.10 1xtn h LYS 82 Ca 0.23 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.33 1xtn h LYS 82 Cb 0.29 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1xtn h LYS 82 CO -0.01 0.64 -0.47 0.37 -2.27 0.00 0.00 179.45 177.71 1xtn h GLN 83 N 0.63 0.54 -0.59 1.90 4.15 -0.68 -2.60 115.11 118.46 1xtn h GLN 83 Ca 0.14 -0.41 -0.07 0.00 0.77 0.00 0.00 58.65 59.07 1xtn h GLN 83 Cb 0.32 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 1xtn h GLN 83 CO 0.01 1.04 0.07 -0.09 -1.93 0.00 0.00 178.83 177.92 1xtn h ARG 84 N 0.15 0.96 -0.16 1.69 2.43 -0.64 -1.76 114.38 117.05 1xtn h ARG 84 Ca -0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1xtn h ARG 84 Cb 1.10 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.53 1xtn h ARG 84 CO 0.10 0.91 0.11 -0.09 -1.51 0.00 0.00 179.97 179.48 1xtn h ARG 85 N 0.90 0.22 -0.90 0.20 2.43 -0.38 0.25 114.38 117.10 1xtn h ARG 85 Ca 0.18 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.37 1xtn h ARG 85 Cb 0.43 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1xtn h ARG 85 CO 0.01 0.15 0.58 0.00 -1.51 0.00 0.00 179.97 179.20 1xtn h ALA 86 N 1.05 1.19 -0.66 2.80 0.00 -1.28 0.12 119.26 122.48 1xtn h ALA 86 Ca 0.06 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1xtn h ALA 86 Cb -0.02 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 1xtn h ALA 86 CO -0.01 0.42 0.08 0.78 0.00 0.00 0.00 179.25 180.52 1xtn h GLY 87 N 1.11 1.20 1.42 0.00 0.00 -0.70 -2.24 103.07 103.86 1xtn h GLY 87 Ca 0.36 -0.82 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1xtn h GLY 87 CO -0.13 0.75 -0.14 1.41 0.00 0.00 0.00 176.54 178.44 1xtn h LEU 88 N 1.03 0.68 -0.54 3.11 3.38 0.34 -2.65 115.31 120.66 1xtn h LEU 88 Ca 0.20 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1xtn h LEU 88 Cb 0.47 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1xtn h LEU 88 CO 0.02 0.84 0.23 -1.13 0.09 0.00 0.00 178.44 178.49 1xtn h ASN 89 N 0.62 0.73 1.05 -0.43 -0.73 -0.69 -1.85 115.58 114.29 1xtn h ASN 89 Ca 0.10 -0.16 -0.03 0.00 1.87 0.00 0.00 56.30 58.08 1xtn h ASN 89 Cb 0.60 -0.19 -0.00 0.00 0.27 0.00 0.00 38.32 38.99 1xtn h ASN 89 CO 0.04 0.69 -0.15 1.05 -0.37 0.00 0.00 177.43 178.69 1xtn h GLU 90 N 0.73 0.00 -0.39 6.67 4.11 -1.27 -0.64 114.58 123.78 1xtn h GLU 90 Ca 0.18 0.00 -0.10 0.00 0.07 0.00 0.00 59.36 59.51 1xtn h GLU 90 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1xtn h GLU 90 CO -0.02 0.15 -0.13 0.35 0.07 0.00 0.00 179.01 179.43 1xtn h PHE 91 N 0.00 0.89 0.00 2.06 3.57 -1.13 -1.55 116.94 120.78 1xtn h PHE 91 Ca -0.00 -0.20 -0.10 0.00 3.53 0.00 0.00 57.97 61.19 1xtn h PHE 91 Cb 0.72 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1xtn h PHE 91 CO 0.00 0.94 -0.47 0.82 -2.23 0.00 0.00 178.31 177.36 1xtn h ILE 92 N 0.60 1.12 -0.25 1.41 1.08 -0.61 -2.65 117.51 118.20 1xtn h ILE 92 Ca 0.10 -1.75 -0.12 0.00 -0.39 0.00 0.00 64.86 62.70 1xtn h ILE 92 Cb 0.67 2.01 -0.01 0.00 -3.07 0.00 0.00 36.82 36.41 1xtn h ILE 92 CO 0.05 0.46 -0.33 1.56 -0.69 0.00 0.00 178.15 179.20 1xtn h GLN 93 N 0.00 0.53 -0.49 2.37 1.08 -0.91 -1.37 115.11 116.34 1xtn h GLN 93 Ca -0.00 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 56.95 1xtn h GLN 93 Cb 0.97 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 1xtn h GLN 93 CO 0.06 0.80 0.26 -0.97 -0.95 0.00 0.00 178.83 178.03 1xtn h ASN 94 N 0.46 0.59 -0.07 1.46 -0.73 -0.94 -2.48 115.58 113.87 1xtn h ASN 94 Ca 0.05 -0.04 -0.04 0.00 1.87 0.00 0.00 56.30 58.14 1xtn h ASN 94 Cb 0.80 -0.15 -0.00 0.00 0.27 0.00 0.00 38.32 39.24 1xtn h ASN 94 CO 0.07 0.49 -0.12 -0.07 -0.37 0.00 0.00 177.43 177.43 1xtn h LEU 95 N 0.67 0.23 0.00 0.34 3.38 -1.07 -3.15 115.31 115.71 1xtn h LEU 95 Ca 0.17 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1xtn h LEU 95 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xtn h LEU 95 CO -0.03 0.72 0.00 1.33 0.09 0.00 0.00 178.44 180.56 1xtn n VAL 96 N -4.64 0.57 0.12 1.22 0.24 -0.77 -2.22 118.33 112.85 1xtn n VAL 96 Ca -0.08 0.14 0.04 0.00 -2.04 0.00 0.00 64.34 62.41 1xtn n VAL 96 Cb 0.35 -0.88 0.02 0.00 -1.47 0.00 0.00 33.84 31.86 1xtn n VAL 96 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1xtn h ARG 97 N 0.00 0.00 -4.93 7.34 2.43 -1.40 -3.45 114.38 114.38 1xtn h ARG 97 Ca 0.00 0.00 -0.64 0.00 -0.81 0.00 0.00 59.98 58.53 1xtn h ARG 97 Cb 0.16 0.00 -0.35 0.00 -0.42 0.00 0.00 29.97 29.36 1xtn h ARG 97 CO 0.00 0.33 -0.85 0.71 -1.51 0.00 0.00 179.97 178.64 1xtn s TYR 98 N -3.03 2.49 0.45 2.20 1.51 -0.94 -5.02 117.35 115.00 1xtn s TYR 98 Ca 0.02 -1.40 0.11 0.00 -1.01 0.00 0.00 57.07 54.80 1xtn s TYR 98 Cb 0.08 -1.75 1.02 0.00 -0.11 0.00 0.00 41.96 41.19 1xtn s TYR 98 CO 0.75 -0.70 2.07 -1.00 -1.11 0.00 0.00 175.55 175.56 1xtn h PRO 99 N 7.83 0.35 0.00 -1.71 0.13 -1.86 0.11 132.00 136.85 1xtn h PRO 99 Ca -0.40 -0.02 -0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1xtn h PRO 99 Cb 1.15 -0.08 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1xtn h PRO 99 CO 0.58 0.23 -0.10 1.05 -0.23 0.00 0.00 178.00 179.53 1xtn h GLU 100 N 0.36 0.00 0.00 0.86 4.11 -1.95 -0.74 114.58 117.22 1xtn h GLU 100 Ca 0.13 0.00 -0.16 0.00 0.07 0.00 0.00 59.36 59.40 1xtn h GLU 100 Cb 0.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1xtn h GLU 100 CO -0.03 0.10 -1.07 1.28 0.07 0.00 0.00 179.01 179.36 1xtn n LEU 101 N -3.88 1.85 0.00 3.06 4.77 -0.13 -3.57 117.00 119.11 1xtn n LEU 101 Ca -0.02 0.49 0.09 0.00 -0.03 0.00 0.00 56.01 56.53 1xtn n LEU 101 Cb 0.19 -0.92 0.47 0.00 -2.33 0.00 0.00 43.42 40.83 1xtn n LEU 101 CO 0.31 0.02 0.75 0.00 -1.33 0.00 0.00 177.39 177.14 1xtn n TYR 102 N -4.49 0.00 0.75 -1.77 4.11 -0.31 -0.84 117.16 114.61 1xtn n TYR 102 Ca -0.24 0.00 0.10 0.00 -0.00 0.00 0.00 57.90 57.75 1xtn n TYR 102 Cb 0.55 -0.21 -0.12 0.00 -0.00 0.00 0.00 39.34 39.55 1xtn n TYR 102 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1xtn n ASN 103 N -1.21 0.81 -4.72 9.48 3.02 -0.29 -4.52 115.26 117.83 1xtn n ASN 103 Ca 0.10 -0.78 -0.42 0.00 -0.03 0.00 0.00 54.58 53.45 1xtn n ASN 103 Cb 0.12 1.19 -0.03 0.00 -0.61 0.00 0.00 39.78 40.45 1xtn n ASN 103 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1xtn s HIS 104 N -3.00 2.98 0.48 3.10 2.46 -0.02 -4.85 115.29 116.43 1xtn s HIS 104 Ca 0.05 0.54 0.27 0.00 0.47 0.00 0.00 55.06 56.39 1xtn s HIS 104 Cb 0.15 -4.02 1.33 0.00 -0.13 0.00 0.00 32.58 29.91 1xtn s HIS 104 CO 0.83 -3.76 1.82 -1.00 -2.47 0.00 0.00 174.74 170.17 1xtn h PRO 105 N 6.59 0.17 -0.10 2.88 0.13 -1.92 -0.76 132.00 138.98 1xtn h PRO 105 Ca -0.43 -0.01 -0.18 0.00 -0.87 0.00 0.00 66.00 64.51 1xtn h PRO 105 Cb 1.20 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1xtn h PRO 105 CO 0.92 0.11 -0.70 -0.44 -0.23 0.00 0.00 178.00 177.66 1xtn h ASP 106 N 0.18 0.54 -0.19 1.44 3.32 -1.92 -1.76 116.42 118.03 1xtn h ASP 106 Ca 0.53 -0.34 -0.20 0.00 0.02 0.00 0.00 57.03 57.03 1xtn h ASP 106 Cb 1.75 -0.16 0.01 0.00 0.22 0.00 0.00 39.33 41.15 1xtn h ASP 106 CO -0.12 1.08 -0.68 0.58 -1.72 0.00 0.00 179.24 178.37 1xtn h VAL 107 N 0.32 1.28 -0.55 -1.35 2.07 -1.44 -1.13 116.25 115.45 1xtn h VAL 107 Ca -0.03 -1.88 -0.07 0.00 0.82 0.00 0.00 66.70 65.54 1xtn h VAL 107 Cb 1.27 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.93 1xtn h VAL 107 CO 0.12 0.60 0.05 0.03 0.02 0.00 0.00 177.57 178.39 1xtn h ARG 108 N 0.53 0.91 -0.32 1.57 3.08 -1.25 -0.77 114.38 118.12 1xtn h ARG 108 Ca -0.03 -0.24 -0.17 0.00 0.07 0.00 0.00 59.98 59.61 1xtn h ARG 108 Cb 1.31 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1xtn h ARG 108 CO 0.14 0.87 -0.46 0.00 -1.07 0.00 0.00 179.97 179.46 1xtn h ALA 109 N 1.20 0.59 -0.56 0.04 0.00 -1.29 0.13 119.26 119.36 1xtn h ALA 109 Ca 0.17 -0.48 0.05 0.00 0.00 0.00 0.00 54.91 54.65 1xtn h ALA 109 Cb 0.44 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1xtn h ALA 109 CO 0.02 0.68 0.28 0.35 0.00 0.00 0.00 179.25 180.57 1xtn h PHE 110 N 0.66 0.51 -0.40 0.00 3.57 -0.65 -1.62 116.94 119.02 1xtn h PHE 110 Ca 0.04 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1xtn h PHE 110 Cb 1.04 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.63 1xtn h PHE 110 CO 0.06 0.24 0.00 1.28 -2.23 0.00 0.00 178.31 177.66 1xtn n LEU 111 N -4.87 2.22 -4.12 0.59 4.77 -0.35 -4.93 117.00 110.31 1xtn n LEU 111 Ca 0.06 -1.09 -0.34 0.00 -0.03 0.00 0.00 56.01 54.61 1xtn n LEU 111 Cb 0.16 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1xtn n LEU 111 CO 0.28 0.55 0.00 0.00 -1.33 0.00 0.00 177.39 176.89 1xtn n GLN 112 N 0.71 -3.88 0.17 3.23 6.02 -0.35 -4.85 117.38 118.42 1xtn n GLN 112 Ca 0.14 0.44 0.13 0.00 -0.01 0.00 0.00 57.00 57.71 1xtn n GLN 112 Cb 0.36 -5.19 0.37 0.00 1.02 0.00 0.00 30.24 26.80 1xtn n GLN 112 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1xtn h MET 113 N -1.69 0.00 -0.39 -1.09 2.86 -1.08 -3.26 114.93 110.28 1xtn h MET 113 Ca -0.59 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1xtn h MET 113 Cb 1.38 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.04 1xtn h MET 113 CO 0.74 0.00 0.00 -0.25 1.06 0.00 0.00 176.91 178.46 1xtn n ASP 114 N -2.65 3.51 -4.77 1.22 10.43 -1.26 -4.71 116.55 118.33 1xtn n ASP 114 Ca 0.04 -2.33 -0.34 0.00 2.57 0.00 0.00 54.79 54.73 1xtn n ASP 114 Cb 0.42 -0.38 0.02 0.00 1.84 0.00 0.00 41.12 43.02 1xtn n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1xtn s SER 115 N -1.23 5.43 0.09 -2.24 1.04 -1.23 -4.91 113.70 110.65 1xtn s SER 115 Ca 0.34 2.09 -0.28 0.00 0.48 0.00 0.00 55.95 58.58 1xtn s SER 115 Cb 0.22 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.62 1xtn s SER 115 CO 0.16 -1.42 1.67 1.55 0.98 0.00 0.00 173.24 176.19 1xtn h PRO 116 N 0.65 -0.45 -0.52 4.02 0.13 -1.94 -2.22 132.00 131.66 1xtn h PRO 116 Ca -0.48 0.03 0.05 0.00 -0.87 0.00 0.00 66.00 64.73 1xtn h PRO 116 Cb 1.25 0.10 -0.07 0.00 0.13 0.00 0.00 31.00 32.42 1xtn h PRO 116 CO 0.56 -0.30 -0.37 -0.09 -0.23 0.00 0.00 178.00 177.56 1xtn h ARG 117 N -0.47 -0.08 0.00 0.86 2.43 -1.98 0.48 114.38 115.61 1xtn h ARG 117 Ca -0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1xtn h ARG 117 Cb 0.40 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1xtn h ARG 117 CO 0.02 -0.06 0.00 0.72 -1.51 0.00 0.00 179.97 179.15 1xtn n HIS 118 N -4.44 0.00 -0.90 2.20 8.25 -1.20 -5.20 115.22 113.93 1xtn n HIS 118 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1xtn n HIS 118 Cb 0.19 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.98 1xtn n HIS 118 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02