#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o8x h LEU 4 N 0.00 0.00 -1.63 0.99 3.38 -1.85 -3.28 115.31 112.92 1o8x h LEU 4 Ca 0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1o8x h LEU 4 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1o8x h LEU 4 CO 0.00 0.00 0.39 -0.78 0.09 0.00 0.00 178.44 178.14 1o8x h ASP 5 N 0.00 0.38 -0.86 -0.43 3.58 -1.92 0.14 116.42 117.30 1o8x h ASP 5 Ca 0.00 0.01 0.10 0.00 0.42 0.00 0.00 57.03 57.56 1o8x h ASP 5 Cb 0.83 -0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.73 1o8x h ASP 5 CO 0.00 0.23 0.50 0.50 -2.88 0.00 0.00 179.24 177.59 1o8x h LYS 6 N 0.42 0.80 0.03 0.28 3.64 -2.00 -2.26 116.57 117.48 1o8x h LYS 6 Ca 0.27 -0.05 -0.33 0.00 -1.27 0.00 0.00 60.65 59.26 1o8x h LYS 6 Cb 0.49 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.08 1o8x h LYS 6 CO -0.07 0.53 -1.98 0.66 -2.27 0.00 0.00 179.45 176.32 1o8x n TYR 7 N -4.72 0.79 -3.40 1.91 0.53 -0.35 -4.55 117.16 107.37 1o8x n TYR 7 Ca 0.15 0.24 -0.26 0.00 -1.02 0.00 0.00 57.90 57.00 1o8x n TYR 7 Cb 0.30 -1.13 -0.08 0.00 -1.03 0.00 0.00 39.34 37.39 1o8x n TYR 7 CO 0.00 0.00 0.00 1.28 -1.02 0.00 0.00 176.86 177.12 1o8x n LEU 8 N -3.12 2.29 -4.66 7.72 4.77 0.34 -4.77 117.00 119.57 1o8x n LEU 8 Ca -0.26 -5.12 -0.42 0.00 -0.03 0.00 0.00 56.01 50.18 1o8x n LEU 8 Cb 1.06 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 41.94 1o8x n LEU 8 CO 0.42 2.02 1.39 -2.16 -1.33 0.00 0.00 177.39 177.73 1o8x s PRO 9 N -1.81 4.14 -0.88 3.23 0.04 -0.85 -2.69 135.00 136.17 1o8x s PRO 9 Ca 0.36 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.57 1o8x s PRO 9 Cb 0.13 -4.00 0.00 0.00 0.04 0.00 0.00 34.50 30.67 1o8x s PRO 9 CO -0.07 -0.90 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1o8x n GLY 10 N 4.21 1.01 3.49 0.56 0.00 -1.26 -4.99 105.19 108.21 1o8x n GLY 10 Ca 0.18 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1o8x n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o8x s ILE 11 N -2.28 5.27 -0.15 -0.61 1.01 -1.10 -4.94 121.20 118.41 1o8x s ILE 11 Ca 0.00 -0.45 0.21 0.00 0.00 0.00 0.00 60.65 60.41 1o8x s ILE 11 Cb 0.00 -3.83 -0.15 0.00 0.01 0.00 0.00 42.46 38.49 1o8x s ILE 11 CO 0.00 -0.17 0.78 -0.62 0.00 0.00 0.00 174.94 174.93 1o8x n GLU 12 N 5.14 0.63 -4.23 2.79 1.02 -1.26 -4.75 120.64 119.97 1o8x n GLU 12 Ca -0.12 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 56.87 1o8x n GLU 12 Cb 0.48 -1.70 -0.13 0.00 -0.02 0.00 0.00 31.44 30.07 1o8x n GLU 12 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1o8x s LYS 13 N -3.33 0.71 0.15 3.49 1.02 -1.26 -0.69 119.74 119.84 1o8x s LYS 13 Ca -0.04 -0.63 0.10 0.00 0.02 0.00 0.00 55.97 55.41 1o8x s LYS 13 Cb 0.11 -0.65 -0.04 0.00 -0.52 0.00 0.00 37.83 36.73 1o8x s LYS 13 CO 0.84 0.16 -0.22 -0.51 -0.92 0.00 0.00 175.35 174.69 1o8x s LEU 14 N -1.04 2.39 0.31 3.17 1.43 0.39 -4.72 118.68 120.60 1o8x s LEU 14 Ca -0.02 -0.81 -0.29 0.00 -1.03 0.00 0.00 54.13 51.99 1o8x s LEU 14 Cb -0.07 -1.01 -0.10 0.00 0.03 0.00 0.00 46.19 45.05 1o8x s LEU 14 CO 0.01 0.07 1.13 -0.13 0.23 0.00 0.00 176.35 177.66 1o8x s ARG 15 N -2.44 4.51 -0.08 1.70 1.81 0.25 -0.35 118.95 124.35 1o8x s ARG 15 Ca 0.15 1.85 -0.03 0.00 -1.72 0.00 0.00 55.73 55.98 1o8x s ARG 15 Cb -0.08 -3.07 0.05 0.00 -0.45 0.00 0.00 34.95 31.39 1o8x s ARG 15 CO 0.07 0.07 0.16 0.50 -0.68 0.00 0.00 175.30 175.42 1o8x s ARG 16 N -1.66 0.03 6.25 3.54 3.52 -0.30 -1.37 118.95 128.96 1o8x s ARG 16 Ca 0.47 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.62 1o8x s ARG 16 Cb -0.32 -0.28 0.00 0.00 -1.56 0.00 0.00 34.95 32.78 1o8x s ARG 16 CO 0.42 -0.31 0.00 0.41 -0.81 0.00 0.00 175.30 175.01 1o8x n GLY 17 N 5.31 3.56 1.47 8.12 0.00 -1.26 -1.07 105.19 121.32 1o8x n GLY 17 Ca -0.05 0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1o8x n GLY 17 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o8x n ASP 18 N 5.22 4.61 0.00 1.61 8.00 -1.26 -4.95 116.55 129.77 1o8x n ASP 18 Ca 0.00 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 53.01 1o8x n ASP 18 Cb 0.00 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.55 1o8x n ASP 18 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1o8x n GLY 19 N 0.90 5.47 3.10 0.44 0.00 -0.23 -5.17 105.19 109.69 1o8x n GLY 19 Ca 0.24 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 1o8x n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1o8x s GLU 20 N 1.84 0.63 0.20 1.61 2.02 -1.26 -1.15 118.70 122.59 1o8x s GLU 20 Ca 0.00 -1.05 0.09 0.00 0.02 0.00 0.00 54.97 54.03 1o8x s GLU 20 Cb 0.00 -0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.09 1o8x s GLU 20 CO 0.00 -0.02 -0.17 0.14 0.02 0.00 0.00 175.26 175.23 1o8x s VAL 21 N -2.77 1.87 0.25 2.63 -7.23 0.53 -4.79 120.40 110.89 1o8x s VAL 21 Ca 0.01 -2.11 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 1o8x s VAL 21 Cb -0.00 -1.99 -0.09 0.00 0.56 0.00 0.00 36.38 34.85 1o8x s VAL 21 CO -0.04 -0.45 1.00 -1.61 -0.31 0.00 0.00 175.10 173.69 1o8x s GLU 22 N -3.27 4.78 0.53 4.82 2.02 -1.26 -0.46 118.70 125.85 1o8x s GLU 22 Ca 0.21 1.60 0.21 0.00 0.02 0.00 0.00 54.97 57.01 1o8x s GLU 22 Cb -0.03 -3.25 1.34 0.00 0.10 0.00 0.00 34.13 32.29 1o8x s GLU 22 CO 0.08 0.40 2.08 0.28 0.02 0.00 0.00 175.26 178.12 1o8x h VAL 23 N 3.15 0.86 -0.20 2.63 2.07 -1.20 -1.07 116.25 122.48 1o8x h VAL 23 Ca -0.46 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1o8x h VAL 23 Cb 1.20 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1o8x h VAL 23 CO 0.68 0.00 0.20 0.11 0.02 0.00 0.00 177.57 178.57 1o8x h LYS 24 N 0.00 0.00 0.00 1.57 1.57 -1.92 -1.93 116.57 115.86 1o8x h LYS 24 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1o8x h LYS 24 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1o8x h LYS 24 CO -0.00 0.00 0.00 -1.13 -0.57 0.00 0.00 179.45 177.75 1o8x n SER 25 N -3.96 0.00 -0.36 0.86 3.41 -0.41 -2.41 113.62 110.76 1o8x n SER 25 Ca 0.02 0.46 0.13 0.00 -0.26 0.00 0.00 58.87 59.22 1o8x n SER 25 Cb 0.33 -0.48 0.57 0.00 -0.26 0.00 0.00 64.21 64.37 1o8x n SER 25 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1o8x n LEU 26 N -1.48 1.10 -4.59 1.04 4.77 -0.72 -4.96 117.00 112.15 1o8x n LEU 26 Ca 0.03 -0.40 -0.53 0.00 -0.03 0.00 0.00 56.01 55.08 1o8x n LEU 26 Cb 0.14 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.14 1o8x n LEU 26 CO 0.11 0.20 0.91 0.00 -1.33 0.00 0.00 177.39 177.29 1o8x n ALA 27 N -0.11 -1.17 -0.15 -1.18 0.00 -1.01 -1.41 120.51 115.48 1o8x n ALA 27 Ca 0.19 0.51 0.00 0.00 0.00 0.00 0.00 53.44 54.14 1o8x n ALA 27 Cb 0.27 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1o8x n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1o8x n GLY 28 N 2.59 2.34 3.90 0.00 0.00 -1.26 -5.02 105.19 107.74 1o8x n GLY 28 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 1o8x n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1o8x s LYS 29 N -0.12 3.61 0.10 1.61 1.02 -0.50 -4.90 119.74 120.56 1o8x s LYS 29 Ca 0.00 0.22 -0.29 0.00 0.02 0.00 0.00 55.97 55.92 1o8x s LYS 29 Cb 0.00 -2.43 -0.06 0.00 -0.52 0.00 0.00 37.83 34.82 1o8x s LYS 29 CO 0.00 -0.09 0.92 -1.17 -0.92 0.00 0.00 175.35 174.09 1o8x s LEU 30 N -4.33 4.49 -0.18 3.17 2.96 -0.83 -1.31 118.68 122.66 1o8x s LEU 30 Ca 0.48 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.10 1o8x s LEU 30 Cb -0.10 -3.50 0.01 0.00 0.50 0.00 0.00 46.19 43.09 1o8x s LEU 30 CO 0.39 -0.05 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.52 1o8x s VAL 31 N -0.02 2.45 -0.27 1.68 1.01 0.58 -1.07 120.40 124.76 1o8x s VAL 31 Ca 0.45 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.50 1o8x s VAL 31 Cb -0.23 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1o8x s VAL 31 CO 0.28 0.51 0.21 -0.36 0.00 0.00 0.00 175.10 175.74 1o8x s PHE 32 N 1.16 3.25 -0.24 5.22 0.40 0.20 -0.51 117.98 127.46 1o8x s PHE 32 Ca 0.01 0.19 -0.26 0.00 -0.60 0.00 0.00 56.93 56.27 1o8x s PHE 32 Cb -0.14 -2.38 0.00 0.00 0.51 0.00 0.00 43.02 41.01 1o8x s PHE 32 CO -0.07 -0.11 0.91 -0.06 0.70 0.00 0.00 175.22 176.59 1o8x s PHE 33 N 1.61 3.32 -0.41 0.36 0.40 0.75 -0.24 117.98 123.78 1o8x s PHE 33 Ca 0.08 1.27 -0.10 0.00 -0.60 0.00 0.00 56.93 57.59 1o8x s PHE 33 Cb -0.15 -3.14 0.07 0.00 0.51 0.00 0.00 43.02 40.31 1o8x s PHE 33 CO 0.09 -0.43 0.25 -0.47 0.70 0.00 0.00 175.22 175.36 1o8x s TYR 34 N 2.98 3.32 -0.29 0.36 5.04 -0.08 -1.43 117.35 127.24 1o8x s TYR 34 Ca 0.38 -1.41 -0.20 0.00 -2.44 0.00 0.00 57.07 53.41 1o8x s TYR 34 Cb -0.15 -2.85 -0.01 0.00 0.35 0.00 0.00 41.96 39.30 1o8x s TYR 34 CO 0.07 -0.81 0.59 -0.06 -1.34 0.00 0.00 175.55 174.00 1o8x s PHE 35 N 1.45 3.23 0.38 4.97 0.40 0.01 -0.32 117.98 128.11 1o8x s PHE 35 Ca 0.03 0.60 -0.15 0.00 -0.60 0.00 0.00 56.93 56.81 1o8x s PHE 35 Cb -0.22 -2.90 0.05 0.00 0.51 0.00 0.00 43.02 40.46 1o8x s PHE 35 CO 0.03 -0.41 0.77 0.45 0.70 0.00 0.00 175.22 176.76 1o8x s SER 36 N 1.60 0.05 0.04 1.36 0.15 -1.18 -1.75 113.70 113.96 1o8x s SER 36 Ca 0.24 -1.15 -0.24 0.00 0.70 0.00 0.00 55.95 55.50 1o8x s SER 36 Cb -0.15 0.84 0.06 0.00 -1.71 0.00 0.00 66.02 65.05 1o8x s SER 36 CO 0.11 -1.65 0.55 0.00 1.20 0.00 0.00 173.24 173.44 1o8x s ALA 37 N -2.42 -1.41 0.54 5.45 0.00 -1.26 -0.91 121.76 121.74 1o8x s ALA 37 Ca 0.16 0.71 0.22 0.00 0.00 0.00 0.00 51.96 53.05 1o8x s ALA 37 Cb -0.05 0.35 1.49 0.00 0.00 0.00 0.00 23.12 24.91 1o8x s ALA 37 CO 0.12 -0.50 2.18 0.66 0.00 0.00 0.00 175.76 178.22 1o8x h SER 38 N 2.79 0.00 0.28 0.00 4.64 -1.94 -2.29 113.55 117.04 1o8x h SER 38 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1o8x h SER 38 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1o8x h SER 38 CO 0.40 0.02 -0.10 -2.67 -0.87 0.00 0.00 176.83 173.61 1o8x n TRP 39 N -4.19 0.00 -2.79 4.77 4.27 -1.26 -4.87 117.44 113.38 1o8x n TRP 39 Ca -0.03 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.15 1o8x n TRP 39 Cb 0.11 -0.14 -0.04 0.00 -1.36 0.00 0.00 31.31 29.88 1o8x n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1o8x h PRO 41 N 8.74 -0.46 0.00 0.00 0.11 -1.89 -2.93 132.00 135.57 1o8x h PRO 41 Ca -0.23 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1o8x h PRO 41 Cb 1.08 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1o8x h PRO 41 CO 1.01 -0.31 -0.01 -1.00 -0.21 0.00 0.00 178.00 177.48 1o8x h PRO 42 N -0.48 0.00 0.00 1.05 0.13 -1.94 -1.97 132.00 128.79 1o8x h PRO 42 Ca -0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1o8x h PRO 42 Cb 0.45 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.57 1o8x h PRO 42 CO -0.05 0.01 -0.13 0.00 -0.23 0.00 0.00 178.00 177.59 1o8x h ALA 43 N 1.99 1.17 -0.63 -0.56 0.00 -1.81 -2.79 119.26 116.63 1o8x h ALA 43 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1o8x h ALA 43 Cb 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1o8x h ALA 43 CO 0.00 0.17 0.41 0.00 0.00 0.00 0.00 179.25 179.83 1o8x h ARG 44 N 0.00 0.80 0.00 0.00 3.08 -1.43 0.22 114.38 117.05 1o8x h ARG 44 Ca -0.00 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 1o8x h ARG 44 Cb 0.45 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 1o8x h ARG 44 CO 0.02 0.53 -0.97 0.78 -1.07 0.00 0.00 179.97 179.26 1o8x h GLY 45 N 0.82 0.01 0.91 0.04 0.00 -1.71 -3.36 103.07 99.78 1o8x h GLY 45 Ca 0.24 -0.02 -0.21 0.00 0.00 0.00 0.00 47.33 47.34 1o8x h GLY 45 CO -0.07 0.01 -0.87 -2.75 0.00 0.00 0.00 176.54 172.87 1o8x h PHE 46 N 0.00 0.73 -0.62 5.60 3.57 -1.22 -3.37 116.94 121.64 1o8x h PHE 46 Ca -0.01 -0.45 0.10 0.00 3.53 0.00 0.00 57.97 61.13 1o8x h PHE 46 Cb 1.70 -0.06 -0.07 0.00 2.79 0.00 0.00 35.95 40.31 1o8x h PHE 46 CO 0.00 1.30 0.24 1.15 -2.23 0.00 0.00 178.31 178.77 1o8x h THR 47 N -0.04 0.77 -0.26 4.41 2.02 -1.10 -0.74 112.91 117.96 1o8x h THR 47 Ca -0.13 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1o8x h THR 47 Cb 1.60 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 1o8x h THR 47 CO 0.17 0.08 0.11 -0.65 0.37 0.00 0.00 175.52 175.60 1o8x h PRO 48 N 0.43 0.36 -0.41 6.66 0.11 -1.75 0.39 132.00 137.79 1o8x h PRO 48 Ca 0.31 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.27 1o8x h PRO 48 Cb 0.39 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.41 1o8x h PRO 48 CO -0.31 0.30 -0.24 1.96 -0.21 0.00 0.00 178.00 179.50 1o8x h GLN 49 N 0.36 0.83 -0.37 1.05 4.20 -1.32 -1.27 115.11 118.59 1o8x h GLN 49 Ca 0.09 -0.35 -0.14 0.00 0.06 0.00 0.00 58.65 58.32 1o8x h GLN 49 Cb 0.07 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 1o8x h GLN 49 CO -0.01 0.98 -0.32 1.25 -0.67 0.00 0.00 178.83 180.05 1o8x h LEU 50 N 0.72 0.87 -0.61 1.46 5.85 -0.67 -2.02 115.31 120.91 1o8x h LEU 50 Ca 0.09 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 1o8x h LEU 50 Cb 0.77 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1o8x h LEU 50 CO 0.06 1.11 0.24 0.40 -0.34 0.00 0.00 178.44 179.92 1o8x h ILE 51 N 0.69 1.23 -0.39 4.05 2.04 -0.74 0.87 117.51 125.27 1o8x h ILE 51 Ca 0.07 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 1o8x h ILE 51 Cb 0.88 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 1o8x h ILE 51 CO 0.08 0.28 0.19 -0.08 0.00 0.00 0.00 178.15 178.62 1o8x h GLU 52 N 0.85 0.55 -0.53 2.37 4.81 -1.11 0.36 114.58 121.88 1o8x h GLU 52 Ca 0.20 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1o8x h GLU 52 Cb 0.20 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1o8x h GLU 52 CO -0.02 0.48 0.27 0.35 -0.73 0.00 0.00 179.01 179.37 1o8x h PHE 53 N 0.49 0.75 -0.27 0.92 3.57 -1.14 -1.94 116.94 119.31 1o8x h PHE 53 Ca 0.13 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1o8x h PHE 53 Cb 0.11 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.60 1o8x h PHE 53 CO -0.02 0.57 0.17 -0.92 -2.23 0.00 0.00 178.31 175.89 1o8x h TYR 54 N 0.71 0.34 -0.82 0.41 3.20 -0.56 -0.80 116.97 119.46 1o8x h TYR 54 Ca 0.18 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.02 1o8x h TYR 54 Cb 0.09 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1o8x h TYR 54 CO -0.01 0.24 0.36 -0.44 -1.64 0.00 0.00 178.16 176.67 1o8x h ASP 55 N 0.35 1.10 -0.48 -2.11 3.32 -0.77 0.05 116.42 117.88 1o8x h ASP 55 Ca 0.10 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1o8x h ASP 55 Cb -0.02 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1o8x h ASP 55 CO -0.02 0.95 -0.22 0.11 -1.72 0.00 0.00 179.24 178.35 1o8x h LYS 56 N 1.18 1.00 0.00 3.56 1.57 -1.10 -3.41 116.57 119.38 1o8x h LYS 56 Ca 0.28 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1o8x h LYS 56 Cb 0.17 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1o8x h LYS 56 CO -0.03 1.11 0.00 1.19 -0.57 0.00 0.00 179.45 181.15 1o8x n PHE 57 N -4.11 0.00 -0.08 -1.35 0.99 -0.33 -4.70 117.46 107.89 1o8x n PHE 57 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.47 1o8x n PHE 57 Cb 0.46 0.00 0.34 0.00 -1.00 0.00 0.00 39.48 39.28 1o8x n PHE 57 CO 0.00 0.00 0.00 1.12 -0.00 0.00 0.00 176.76 177.88 1o8x h HIS 58 N 0.00 0.67 0.07 1.38 2.07 -1.15 0.93 115.15 119.12 1o8x h HIS 58 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1o8x h HIS 58 Cb 0.04 -0.22 0.00 0.00 2.57 0.00 0.00 27.41 29.80 1o8x h HIS 58 CO 0.00 0.45 -0.03 0.93 -3.07 0.00 0.00 177.93 176.21 1o8x h GLU 59 N 0.71 -0.09 -0.07 5.12 5.08 -1.82 -1.15 114.58 122.36 1o8x h GLU 59 Ca 0.19 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.44 1o8x h GLU 59 Cb -0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1o8x h GLU 59 CO -0.04 0.47 -0.46 0.66 -1.00 0.00 0.00 179.01 178.64 1o8x h SER 60 N -0.90 0.18 -0.41 1.42 4.64 -1.79 -2.36 113.55 114.33 1o8x h SER 60 Ca -0.01 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1o8x h SER 60 Cb 0.60 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1o8x h SER 60 CO 0.02 0.61 0.00 0.29 -0.87 0.00 0.00 176.83 176.88 1o8x n LYS 61 N -3.99 2.52 -3.54 4.77 5.02 0.30 -5.02 118.16 118.23 1o8x n LYS 61 Ca -0.02 -2.30 -0.25 0.00 -2.02 0.00 0.00 58.31 53.72 1o8x n LYS 61 Cb 0.50 -1.52 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 1o8x n LYS 61 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1o8x n ASN 62 N 1.50 -5.81 -4.22 4.39 4.05 -0.89 -4.85 115.26 109.44 1o8x n ASN 62 Ca 0.20 -0.87 -0.12 0.00 0.45 0.00 0.00 54.58 54.23 1o8x n ASN 62 Cb 0.61 -3.83 -0.10 0.00 1.23 0.00 0.00 39.78 37.69 1o8x n ASN 62 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 177.26 174.93 1o8x s PHE 63 N -3.38 1.13 0.10 1.20 -0.12 -0.48 -1.96 117.98 114.47 1o8x s PHE 63 Ca 0.41 -1.12 0.03 0.00 -0.05 0.00 0.00 56.93 56.20 1o8x s PHE 63 Cb -0.12 -0.64 -0.04 0.00 -0.63 0.00 0.00 43.02 41.59 1o8x s PHE 63 CO 0.83 -0.34 -0.09 -2.00 -0.05 0.00 0.00 175.22 173.56 1o8x s GLU 64 N -3.98 0.86 -0.11 1.99 2.56 -0.24 -4.64 118.70 115.14 1o8x s GLU 64 Ca 0.26 -1.22 0.02 0.00 0.00 0.00 0.00 54.97 54.03 1o8x s GLU 64 Cb 0.07 -0.48 -0.01 0.00 2.00 0.00 0.00 34.13 35.71 1o8x s GLU 64 CO 0.05 0.06 -0.17 0.08 -0.56 0.00 0.00 175.26 174.72 1o8x s VAL 65 N -2.75 2.75 -0.26 3.70 1.01 -1.26 -0.63 120.40 122.96 1o8x s VAL 65 Ca 0.08 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1o8x s VAL 65 Cb -0.01 -2.11 0.06 0.00 0.00 0.00 0.00 36.38 34.32 1o8x s VAL 65 CO -0.01 0.55 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 1o8x s VAL 66 N 0.15 2.28 0.01 2.92 1.01 0.67 -1.35 120.40 126.10 1o8x s VAL 66 Ca -0.09 -1.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.00 1o8x s VAL 66 Cb -0.15 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1o8x s VAL 66 CO 0.06 -0.03 1.48 0.12 0.00 0.00 0.00 175.10 176.73 1o8x s PHE 67 N 1.13 2.67 -0.38 5.22 5.36 3.41 -0.91 117.98 134.48 1o8x s PHE 67 Ca -0.08 0.64 -0.01 0.00 -0.96 0.00 0.00 56.93 56.52 1o8x s PHE 67 Cb -0.20 -3.76 0.10 0.00 -0.34 0.00 0.00 43.02 38.82 1o8x s PHE 67 CO -0.05 -2.92 0.14 0.00 -1.46 0.00 0.00 175.22 170.93 1o8x s THR 69 N 1.08 3.78 -1.54 0.00 -1.32 -1.26 -3.13 115.64 113.26 1o8x s THR 69 Ca 0.08 1.66 0.17 0.00 -1.21 0.00 0.00 61.69 62.39 1o8x s THR 69 Cb -0.21 -4.01 0.42 0.00 -1.51 0.00 0.00 72.50 67.19 1o8x s THR 69 CO -0.05 0.30 1.34 0.79 -2.21 0.00 0.00 174.62 174.79 1o8x n TRP 70 N 0.94 0.60 -2.16 9.09 7.02 -0.09 -4.88 117.44 127.96 1o8x n TRP 70 Ca 0.00 -0.42 -0.41 0.00 -1.02 0.00 0.00 57.50 55.65 1o8x n TRP 70 Cb 0.47 -0.01 -0.03 0.00 -2.42 0.00 0.00 31.31 29.32 1o8x n TRP 70 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1o8x s ASP 71 N -1.07 6.83 0.00 -0.99 1.01 -1.26 -4.93 116.67 116.26 1o8x s ASP 71 Ca 0.33 2.46 0.22 0.00 0.71 0.00 0.00 52.55 56.27 1o8x s ASP 71 Cb 0.18 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.42 1o8x s ASP 71 CO 0.24 -0.58 1.01 -0.62 0.21 0.00 0.00 175.17 175.43 1o8x n GLU 72 N 2.63 0.34 -4.39 8.23 1.02 -1.26 -4.88 120.64 122.32 1o8x n GLU 72 Ca 0.07 -0.27 -0.34 0.00 -0.02 0.00 0.00 57.16 56.60 1o8x n GLU 72 Cb 0.42 -1.49 -0.12 0.00 -0.02 0.00 0.00 31.44 30.23 1o8x n GLU 72 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1o8x s GLU 73 N -2.85 3.61 0.25 3.49 2.02 -1.26 -5.02 118.70 118.94 1o8x s GLU 73 Ca 0.11 -0.51 -0.04 0.00 0.02 0.00 0.00 54.97 54.55 1o8x s GLU 73 Cb 0.17 -2.91 0.34 0.00 0.10 0.00 0.00 34.13 31.83 1o8x s GLU 73 CO 0.77 0.29 1.88 1.49 0.02 0.00 0.00 175.26 179.71 1o8x h GLU 74 N 6.54 1.12 -0.82 1.61 4.81 -1.99 -1.51 114.58 124.33 1o8x h GLU 74 Ca -0.33 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.80 1o8x h GLU 74 Cb 1.19 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 1o8x h GLU 74 CO 0.62 0.74 0.39 -0.44 -0.73 0.00 0.00 179.01 179.59 1o8x h ASP 75 N 1.15 1.08 -0.26 1.04 3.32 -1.99 0.11 116.42 120.88 1o8x h ASP 75 Ca 0.40 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1o8x h ASP 75 Cb 0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1o8x h ASP 75 CO -0.15 0.92 -0.00 1.23 -1.72 0.00 0.00 179.24 179.51 1o8x h GLY 76 N 1.19 0.49 0.75 2.75 0.00 -1.86 -1.83 103.07 104.55 1o8x h GLY 76 Ca 0.28 -0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1o8x h GLY 76 CO -0.03 0.34 -0.11 -2.75 0.00 0.00 0.00 176.54 173.98 1o8x h PHE 77 N 0.23 -0.29 -0.54 5.60 3.57 -1.00 -2.23 116.94 122.28 1o8x h PHE 77 Ca 0.07 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 1o8x h PHE 77 Cb 0.42 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1o8x h PHE 77 CO 0.04 -0.17 0.17 0.00 -2.23 0.00 0.00 178.31 176.11 1o8x h ALA 78 N 0.74 0.71 -0.65 2.41 0.00 -0.72 0.23 119.26 121.99 1o8x h ALA 78 Ca 0.03 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1o8x h ALA 78 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1o8x h ALA 78 CO -0.10 0.38 0.15 0.78 0.00 0.00 0.00 179.25 180.46 1o8x h GLY 79 N 0.76 1.12 0.64 0.00 0.00 -1.31 -1.40 103.07 102.86 1o8x h GLY 79 Ca 0.17 -0.69 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1o8x h GLY 79 CO -0.00 0.64 -0.25 -1.82 0.00 0.00 0.00 176.54 175.11 1o8x h TYR 80 N 0.99 0.38 -0.34 5.60 3.20 -1.14 -3.19 116.97 122.46 1o8x h TYR 80 Ca 0.21 -0.16 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 1o8x h TYR 80 Cb 0.36 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1o8x h TYR 80 CO 0.03 0.87 0.15 0.35 -1.64 0.00 0.00 178.16 177.92 1o8x h PHE 81 N -0.22 0.46 0.00 -3.82 3.57 -0.90 -2.03 116.94 114.01 1o8x h PHE 81 Ca -0.01 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1o8x h PHE 81 Cb 0.89 -0.15 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 1o8x h PHE 81 CO 0.13 0.36 -0.00 0.00 -2.23 0.00 0.00 178.31 176.56 1o8x h ALA 82 N 1.69 1.18 -0.41 2.41 0.00 -1.24 0.57 119.26 123.45 1o8x h ALA 82 Ca 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1o8x h ALA 82 Cb 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1o8x h ALA 82 CO -0.01 0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.87 1o8x n LYS 83 N -3.34 2.08 -4.49 0.00 5.02 -0.76 -4.90 118.16 111.76 1o8x n LYS 83 Ca -0.03 -1.67 -0.31 0.00 -2.02 0.00 0.00 58.31 54.28 1o8x n LYS 83 Cb 0.09 -1.39 -0.11 0.00 -0.02 0.00 0.00 35.03 33.59 1o8x n LYS 83 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1o8x s MET 84 N -1.45 2.25 0.00 1.97 -1.94 0.19 -5.05 119.30 115.27 1o8x s MET 84 Ca 0.33 -0.90 0.26 0.00 -1.71 0.00 0.00 55.69 53.67 1o8x s MET 84 Cb 0.17 -2.32 0.71 0.00 2.01 0.00 0.00 34.83 35.41 1o8x s MET 84 CO 0.24 0.55 1.54 -0.35 -0.01 0.00 0.00 175.02 176.99 1o8x n PRO 85 N 1.36 0.81 0.00 2.03 -0.04 -1.26 -4.87 135.00 133.03 1o8x n PRO 85 Ca -0.15 -0.49 0.00 0.00 -0.04 0.00 0.00 63.50 62.82 1o8x n PRO 85 Cb 0.52 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 1o8x n PRO 85 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1o8x n TRP 86 N -0.67 0.00 -3.41 0.54 2.14 -1.26 -4.90 117.44 109.87 1o8x n TRP 86 Ca 0.12 0.00 -0.20 0.00 2.07 0.00 0.00 57.50 59.49 1o8x n TRP 86 Cb 0.35 0.00 -0.02 0.00 -0.81 0.00 0.00 31.31 30.83 1o8x n TRP 86 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1o8x s LEU 87 N 0.00 3.51 -0.04 5.67 1.43 -0.46 -4.41 118.68 124.38 1o8x s LEU 87 Ca 0.00 -0.61 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1o8x s LEU 87 Cb 0.00 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.96 1o8x s LEU 87 CO 0.00 -0.65 0.19 0.00 0.23 0.00 0.00 176.35 176.12 1o8x s ALA 88 N -2.41 -0.46 0.15 4.21 0.00 -0.47 -0.15 121.76 122.63 1o8x s ALA 88 Ca 0.49 0.29 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 1o8x s ALA 88 Cb -0.06 -0.13 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 1o8x s ALA 88 CO 0.29 -0.15 1.47 0.08 0.00 0.00 0.00 175.76 177.45 1o8x s VAL 89 N -0.56 2.93 0.47 0.00 1.01 -0.53 -0.58 120.40 123.14 1o8x s VAL 89 Ca -0.07 0.68 -0.24 0.00 0.00 0.00 0.00 61.98 62.36 1o8x s VAL 89 Cb -0.04 -3.44 -0.08 0.00 0.00 0.00 0.00 36.38 32.83 1o8x s VAL 89 CO 0.01 0.06 1.37 -2.65 0.00 0.00 0.00 175.10 173.90 1o8x n PRO 90 N 3.74 2.02 -0.21 2.72 -0.02 -1.26 -4.83 135.00 137.15 1o8x n PRO 90 Ca 0.12 0.72 0.18 0.00 -2.02 0.00 0.00 63.50 62.50 1o8x n PRO 90 Cb 0.40 -2.56 0.51 0.00 -0.02 0.00 0.00 33.50 31.84 1o8x n PRO 90 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1o8x h PHE 91 N 1.99 0.51 0.00 6.00 3.57 -1.99 0.23 116.94 127.25 1o8x h PHE 91 Ca -0.50 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1o8x h PHE 91 Cb 1.28 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.87 1o8x h PHE 91 CO 0.48 0.15 -0.03 0.00 -2.23 0.00 0.00 178.31 176.68 1o8x h ALA 92 N 1.62 1.20 -0.91 2.41 0.00 -2.03 -2.54 119.26 119.01 1o8x h ALA 92 Ca 0.43 -0.03 -0.49 0.00 0.00 0.00 0.00 54.91 54.82 1o8x h ALA 92 Cb 1.07 -0.01 -0.28 0.00 0.00 0.00 0.00 17.79 18.57 1o8x h ALA 92 CO -0.15 0.04 0.57 1.04 0.00 0.00 0.00 179.25 180.75 1o8x n GLN 93 N -3.41 2.25 0.07 0.00 3.00 0.07 -4.63 117.38 114.72 1o8x n GLN 93 Ca -0.02 -3.07 0.05 0.00 -0.01 0.00 0.00 57.00 53.95 1o8x n GLN 93 Cb 0.15 -2.14 0.48 0.00 0.00 0.00 0.00 30.24 28.73 1o8x n GLN 93 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.06 177.83 1o8x h SER 94 N 1.10 0.35 -0.95 1.08 0.02 -1.54 -1.87 113.55 111.73 1o8x h SER 94 Ca 0.58 -0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.59 1o8x h SER 94 Cb 2.52 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 64.91 1o8x h SER 94 CO 1.06 0.26 0.62 -0.33 -1.14 0.00 0.00 176.83 177.29 1o8x h GLU 95 N 0.41 1.07 -0.63 3.45 5.08 -1.87 -0.03 114.58 122.06 1o8x h GLU 95 Ca 0.11 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1o8x h GLU 95 Cb -0.04 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 28.94 1o8x h GLU 95 CO -0.02 0.71 0.21 0.00 -1.00 0.00 0.00 179.01 178.91 1o8x h ALA 96 N 1.48 1.19 -0.54 3.43 0.00 -1.72 -1.53 119.26 121.58 1o8x h ALA 96 Ca 0.41 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 1o8x h ALA 96 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1o8x h ALA 96 CO -0.16 0.57 -0.12 0.28 0.00 0.00 0.00 179.25 179.83 1o8x h VAL 97 N 0.92 1.27 -0.56 0.00 2.07 -0.99 -1.06 116.25 117.89 1o8x h VAL 97 Ca 0.21 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.34 1o8x h VAL 97 Cb 0.24 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1o8x h VAL 97 CO -0.01 0.45 -0.09 1.56 0.02 0.00 0.00 177.57 179.50 1o8x h GLN 98 N 0.91 1.05 -0.43 1.57 4.20 -0.76 0.53 115.11 122.19 1o8x h GLN 98 Ca 0.14 -0.38 -0.11 0.00 0.06 0.00 0.00 58.65 58.35 1o8x h GLN 98 Cb 0.69 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1o8x h GLN 98 CO 0.05 1.08 -0.19 0.87 -0.67 0.00 0.00 178.83 179.97 1o8x h LYS 99 N 0.94 0.83 -0.66 1.46 1.57 -1.18 -1.85 116.57 117.68 1o8x h LYS 99 Ca 0.15 -0.32 -0.08 0.00 -1.87 0.00 0.00 60.65 58.52 1o8x h LYS 99 Cb 0.66 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 1o8x h LYS 99 CO 0.05 0.95 0.09 1.25 -0.57 0.00 0.00 179.45 181.22 1o8x h LEU 100 N 0.73 1.06 -0.79 2.94 5.85 -0.90 0.22 115.31 124.42 1o8x h LEU 100 Ca 0.11 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.58 1o8x h LEU 100 Cb 0.71 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1o8x h LEU 100 CO 0.05 1.06 0.51 0.28 -0.34 0.00 0.00 178.44 180.01 1o8x h SER 101 N 1.02 0.85 -0.30 1.25 0.02 -0.66 -1.37 113.55 114.37 1o8x h SER 101 Ca 0.20 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.09 1o8x h SER 101 Cb 0.46 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 1o8x h SER 101 CO 0.02 0.60 0.00 0.50 -1.14 0.00 0.00 176.83 176.80 1o8x h LYS 102 N 1.01 0.52 -0.84 3.45 3.64 -0.98 0.58 116.57 123.95 1o8x h LYS 102 Ca 0.31 -0.17 0.09 0.00 -1.27 0.00 0.00 60.65 59.62 1o8x h LYS 102 Cb -0.02 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.68 1o8x h LYS 102 CO -0.10 0.67 0.49 1.25 -2.27 0.00 0.00 179.45 179.48 1o8x h HIS 103 N 0.32 0.89 -0.36 1.91 2.76 -0.41 -0.97 115.15 119.28 1o8x h HIS 103 Ca 0.08 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 1o8x h HIS 103 Cb 0.43 -0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.12 1o8x h HIS 103 CO 0.04 0.37 0.00 1.19 -1.30 0.00 0.00 177.93 178.23 1o8x n PHE 104 N -4.72 0.48 -3.91 5.26 3.01 -0.56 -4.95 117.46 112.07 1o8x n PHE 104 Ca 0.14 -0.24 -0.26 0.00 1.01 0.00 0.00 57.45 58.10 1o8x n PHE 104 Cb 0.27 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.74 1o8x n PHE 104 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1o8x n ASN 105 N 0.72 -1.28 -4.63 4.37 5.15 -0.37 -4.90 115.26 114.32 1o8x n ASN 105 Ca 0.15 -0.93 -0.43 0.00 -0.60 0.00 0.00 54.58 52.77 1o8x n ASN 105 Cb 0.38 -3.38 -0.02 0.00 -0.53 0.00 0.00 39.78 36.23 1o8x n ASN 105 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1o8x s VAL 106 N -3.75 4.45 -0.04 3.44 1.01 0.13 -4.84 120.40 120.79 1o8x s VAL 106 Ca 0.14 1.65 0.10 0.00 0.00 0.00 0.00 61.98 63.87 1o8x s VAL 106 Cb -0.07 -4.45 -0.15 0.00 0.00 0.00 0.00 36.38 31.71 1o8x s VAL 106 CO 0.87 -0.57 0.16 -0.62 0.00 0.00 0.00 175.10 174.93 1o8x n GLU 107 N 7.04 1.06 -4.11 2.72 1.02 -1.26 -4.79 120.64 122.31 1o8x n GLU 107 Ca 0.12 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 1o8x n GLU 107 Cb 0.47 -1.25 -0.10 0.00 -0.02 0.00 0.00 31.44 30.55 1o8x n GLU 107 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1o8x s SER 108 N -3.54 0.73 0.16 1.62 1.04 -1.26 -5.17 113.70 107.28 1o8x s SER 108 Ca -0.04 -0.97 0.09 0.00 0.48 0.00 0.00 55.95 55.51 1o8x s SER 108 Cb 0.05 0.15 -0.04 0.00 0.10 0.00 0.00 66.02 66.29 1o8x s SER 108 CO 0.42 -0.53 -0.19 0.27 0.98 0.00 0.00 173.24 174.19 1o8x s ILE 109 N -3.64 1.82 0.49 -1.02 -4.36 -1.26 -4.29 121.20 108.95 1o8x s ILE 109 Ca 0.07 -1.86 -0.20 0.00 -0.26 0.00 0.00 60.65 58.41 1o8x s ILE 109 Cb 0.06 -1.81 -0.08 0.00 1.25 0.00 0.00 42.46 41.88 1o8x s ILE 109 CO -0.07 -0.26 1.03 -2.16 0.24 0.00 0.00 174.94 173.71 1o8x s PRO 110 N -2.64 3.81 0.01 0.37 0.04 -1.26 -4.76 135.00 130.56 1o8x s PRO 110 Ca 0.14 1.31 0.00 0.00 0.04 0.00 0.00 61.00 62.49 1o8x s PRO 110 Cb -0.07 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1o8x s PRO 110 CO 0.06 -0.41 -0.01 0.99 0.04 0.00 0.00 177.00 177.67 1o8x s THR 111 N -2.06 0.05 -0.10 1.26 2.01 -0.72 -4.95 115.64 111.13 1o8x s THR 111 Ca 0.66 -0.36 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1o8x s THR 111 Cb -0.15 -0.11 0.03 0.00 0.01 0.00 0.00 72.50 72.28 1o8x s THR 111 CO 0.21 -0.20 -0.01 -0.22 -0.69 0.00 0.00 174.62 173.71 1o8x s LEU 112 N -0.58 0.83 -0.13 4.42 2.96 -1.26 -0.80 118.68 124.12 1o8x s LEU 112 Ca -0.06 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 1o8x s LEU 112 Cb -0.04 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.10 1o8x s LEU 112 CO -0.00 -0.20 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.00 1o8x s ILE 113 N 1.89 1.88 -0.18 6.68 1.01 -0.51 -2.92 121.20 129.04 1o8x s ILE 113 Ca 0.04 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.75 1o8x s ILE 113 Cb -0.13 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.62 1o8x s ILE 113 CO -0.06 0.52 0.05 -0.83 0.00 0.00 0.00 174.94 174.61 1o8x s GLY 114 N 0.89 1.88 0.11 6.18 0.00 0.44 -0.18 107.32 116.64 1o8x s GLY 114 Ca -0.06 -0.78 0.08 0.00 0.00 0.00 0.00 44.72 43.96 1o8x s GLY 114 CO -0.02 0.07 -0.20 -1.34 0.00 0.00 0.00 173.10 171.61 1o8x s VAL 115 N 0.44 1.70 -0.11 1.40 -7.23 0.33 -0.51 120.40 116.42 1o8x s VAL 115 Ca 0.02 -1.59 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1o8x s VAL 115 Cb -0.13 -1.58 -0.02 0.00 0.56 0.00 0.00 36.38 35.21 1o8x s VAL 115 CO 0.01 -0.11 1.11 -0.62 -0.31 0.00 0.00 175.10 175.18 1o8x s ASP 116 N -2.02 7.12 0.21 4.85 2.15 0.05 -0.31 116.67 128.73 1o8x s ASP 116 Ca 0.07 1.62 -0.09 0.00 0.43 0.00 0.00 52.55 54.59 1o8x s ASP 116 Cb -0.09 -2.55 0.24 0.00 -0.30 0.00 0.00 42.92 40.21 1o8x s ASP 116 CO 0.04 -0.56 1.83 0.00 -0.17 0.00 0.00 175.17 176.31 1o8x h ALA 117 N 7.40 0.94 -0.11 3.66 0.00 -1.51 0.20 119.26 129.84 1o8x h ALA 117 Ca -0.30 0.00 -0.20 0.00 0.00 0.00 0.00 54.91 54.41 1o8x h ALA 117 Cb 1.13 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.77 1o8x h ALA 117 CO 0.90 0.13 -0.71 -0.44 0.00 0.00 0.00 179.25 179.12 1o8x h ASP 118 N 0.77 0.82 0.39 0.00 3.32 -1.89 -3.14 116.42 116.69 1o8x h ASP 118 Ca 0.30 -0.65 -0.16 0.00 0.02 0.00 0.00 57.03 56.54 1o8x h ASP 118 Cb 0.13 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1o8x h ASP 118 CO -0.16 1.35 -1.75 -1.54 -1.72 0.00 0.00 179.24 175.41 1o8x n SER 119 N -4.04 0.45 0.00 6.45 3.41 -1.22 -3.19 113.62 115.49 1o8x n SER 119 Ca -0.08 0.19 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1o8x n SER 119 Cb 0.71 0.83 0.00 0.00 -0.26 0.00 0.00 64.21 65.49 1o8x n SER 119 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1o8x n GLY 120 N 1.43 1.31 3.77 5.00 0.00 0.71 -4.67 105.19 112.74 1o8x n GLY 120 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 1o8x n GLY 120 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1o8x s ASP 121 N -3.16 6.48 0.11 1.61 1.01 -1.24 -4.62 116.67 116.85 1o8x s ASP 121 Ca 0.00 2.69 -0.31 0.00 0.71 0.00 0.00 52.55 55.65 1o8x s ASP 121 Cb 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 1o8x s ASP 121 CO 0.00 -0.74 1.29 -0.69 0.21 0.00 0.00 175.17 175.24 1o8x s VAL 122 N -1.21 3.62 -0.23 -1.27 1.01 -1.26 -0.77 120.40 120.29 1o8x s VAL 122 Ca 0.54 1.19 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 1o8x s VAL 122 Cb -0.39 -3.76 -0.10 0.00 0.00 0.00 0.00 36.38 32.13 1o8x s VAL 122 CO 0.51 0.11 -0.30 0.52 0.00 0.00 0.00 175.10 175.94 1o8x n VAL 123 N 3.72 1.31 -3.80 2.92 0.31 0.33 -4.90 118.33 118.22 1o8x n VAL 123 Ca 0.09 -0.27 -0.13 0.00 -0.01 0.00 0.00 64.34 64.03 1o8x n VAL 123 Cb 0.44 -1.87 -0.11 0.00 -0.91 0.00 0.00 33.84 31.39 1o8x n VAL 123 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1o8x s THR 124 N -2.47 0.01 -1.08 2.52 -1.32 -0.85 -1.38 115.64 111.07 1o8x s THR 124 Ca -0.32 -0.10 0.09 0.00 -1.21 0.00 0.00 61.69 60.16 1o8x s THR 124 Cb 0.12 -0.35 0.12 0.00 -1.51 0.00 0.00 72.50 70.87 1o8x s THR 124 CO 0.41 -0.05 0.89 0.35 -2.21 0.00 0.00 174.62 174.01 1o8x n THR 125 N 2.71 0.23 -0.84 5.08 -2.24 -1.26 -0.42 114.28 117.54 1o8x n THR 125 Ca -0.14 -0.62 0.06 0.00 -2.27 0.00 0.00 64.05 61.08 1o8x n THR 125 Cb 0.58 1.03 0.09 0.00 -2.10 0.00 0.00 70.33 69.93 1o8x n THR 125 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1o8x n ARG 126 N 0.49 1.63 0.26 -0.78 1.74 -1.26 -4.69 116.66 114.05 1o8x n ARG 126 Ca 0.06 -2.10 0.11 0.00 -0.77 0.00 0.00 57.85 55.15 1o8x n ARG 126 Cb 0.27 -1.26 0.71 0.00 -1.02 0.00 0.00 32.46 31.17 1o8x n ARG 126 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1o8x h ALA 127 N 0.00 1.58 -0.35 7.54 0.00 -1.81 -0.54 119.26 125.67 1o8x h ALA 127 Ca 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1o8x h ALA 127 Cb 0.89 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1o8x h ALA 127 CO 0.00 0.10 0.04 -0.09 0.00 0.00 0.00 179.25 179.31 1o8x h ARG 128 N 0.00 0.52 0.23 0.00 1.12 -1.87 0.23 114.38 114.61 1o8x h ARG 128 Ca -0.00 -0.10 -0.33 0.00 -1.11 0.00 0.00 59.98 58.44 1o8x h ARG 128 Cb 0.18 -0.08 0.03 0.00 -0.01 0.00 0.00 29.97 30.08 1o8x h ARG 128 CO 0.01 0.52 -1.52 0.00 -3.11 0.00 0.00 179.97 175.87 1o8x h ALA 129 N 1.54 -0.06 0.06 2.80 0.00 -1.52 -3.38 119.26 118.70 1o8x h ALA 129 Ca 0.12 -0.94 -0.24 0.00 0.00 0.00 0.00 54.91 53.85 1o8x h ALA 129 Cb 0.27 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1o8x h ALA 129 CO 0.00 0.77 -1.10 1.79 0.00 0.00 0.00 179.25 180.71 1o8x h THR 130 N 0.09 1.61 -0.81 0.00 1.35 -1.16 -3.31 112.91 110.68 1o8x h THR 130 Ca -0.28 -3.21 -0.00 0.00 -0.55 0.00 0.00 66.41 62.37 1o8x h THR 130 Cb 2.11 2.87 -0.04 0.00 -1.73 0.00 0.00 68.15 71.35 1o8x h THR 130 CO 0.23 0.93 0.50 0.25 -0.25 0.00 0.00 175.52 177.18 1o8x h LEU 131 N 0.04 0.96 -2.03 3.87 6.46 -1.13 -2.05 115.31 121.43 1o8x h LEU 131 Ca -0.07 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.63 1o8x h LEU 131 Cb 1.84 -0.24 -0.00 0.00 -0.73 0.00 0.00 40.66 41.53 1o8x h LEU 131 CO 0.16 0.73 -0.02 -0.37 -0.62 0.00 0.00 178.44 178.33 1o8x h VAL 132 N 1.10 0.07 -0.01 1.05 -1.51 -1.73 -1.77 116.25 113.45 1o8x h VAL 132 Ca 0.29 -0.35 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 1o8x h VAL 132 Cb -0.06 1.33 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 1o8x h VAL 132 CO -0.06 0.02 -0.59 0.29 -1.23 0.00 0.00 177.57 176.00 1o8x n LYS 133 N -3.15 0.72 -3.18 5.19 5.02 -0.83 -4.58 118.16 117.34 1o8x n LYS 133 Ca -0.01 -0.56 -0.22 0.00 -2.02 0.00 0.00 58.31 55.50 1o8x n LYS 133 Cb 0.22 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.69 1o8x n LYS 133 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1o8x n ASP 134 N -0.65 1.08 0.30 4.39 2.03 -0.67 -4.96 116.55 118.06 1o8x n ASP 134 Ca 0.08 -2.97 0.18 0.00 0.52 0.00 0.00 54.79 52.59 1o8x n ASP 134 Cb 0.40 -0.63 0.96 0.00 -0.72 0.00 0.00 41.12 41.14 1o8x n ASP 134 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1o8x h PRO 135 N 3.45 0.00 -0.29 -0.67 0.13 -1.79 -0.92 132.00 131.90 1o8x h PRO 135 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1o8x h PRO 135 Cb 0.88 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.01 1o8x h PRO 135 CO 0.53 0.03 0.00 0.39 -0.23 0.00 0.00 178.00 178.72 1o8x n GLU 136 N -3.44 2.18 -2.90 0.86 -0.58 -1.26 -4.85 120.64 110.65 1o8x n GLU 136 Ca -0.02 -1.78 -0.20 0.00 -0.42 0.00 0.00 57.16 54.74 1o8x n GLU 136 Cb 0.14 -1.46 0.03 0.00 -0.57 0.00 0.00 31.44 29.58 1o8x n GLU 136 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1o8x n GLY 137 N 1.34 -0.41 0.23 0.62 0.00 -0.35 -4.88 105.19 101.75 1o8x n GLY 137 Ca 0.18 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.31 1o8x n GLY 137 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1o8x h GLU 138 N -1.18 0.00 -0.28 1.61 5.08 -1.93 -2.55 114.58 115.33 1o8x h GLU 138 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1o8x h GLU 138 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 1o8x h GLU 138 CO 0.52 0.20 0.00 1.04 -1.00 0.00 0.00 179.01 179.77 1o8x n GLN 139 N -3.92 2.70 -1.64 2.33 1.13 -1.26 -5.02 117.38 111.70 1o8x n GLN 139 Ca -0.02 -1.91 -0.42 0.00 -1.94 0.00 0.00 57.00 52.71 1o8x n GLN 139 Cb 0.29 -1.23 0.00 0.00 0.11 0.00 0.00 30.24 29.41 1o8x n GLN 139 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1o8x n PHE 140 N 0.40 1.62 -0.49 1.08 7.35 -0.96 -0.73 117.46 125.73 1o8x n PHE 140 Ca 0.10 0.57 -0.13 0.00 -0.76 0.00 0.00 57.45 57.23 1o8x n PHE 140 Cb 0.39 -2.30 0.15 0.00 0.35 0.00 0.00 39.48 38.07 1o8x n PHE 140 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1o8x n PRO 141 N 0.32 2.14 -3.43 -7.13 -0.04 -1.26 -4.94 135.00 120.67 1o8x n PRO 141 Ca 0.08 -2.07 -0.18 0.00 -0.04 0.00 0.00 63.50 61.29 1o8x n PRO 141 Cb 0.37 -1.84 0.09 0.00 -0.04 0.00 0.00 33.50 32.08 1o8x n PRO 141 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1o8x n TRP 142 N -0.46 -2.26 -1.69 0.54 8.01 0.09 -4.59 117.44 117.09 1o8x n TRP 142 Ca 0.38 0.93 -0.44 0.00 -1.31 0.00 0.00 57.50 57.06 1o8x n TRP 142 Cb 1.24 -5.01 -0.02 0.00 -2.01 0.00 0.00 31.31 25.52 1o8x n TRP 142 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1o8x n LYS 143 N -4.20 2.18 -1.45 -0.99 5.02 -1.26 -4.64 118.16 112.83 1o8x n LYS 143 Ca -0.23 0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 56.49 1o8x n LYS 143 Cb 0.65 -2.44 0.09 0.00 -0.02 0.00 0.00 35.03 33.31 1o8x n LYS 143 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1o8x s ASP 144 N 0.19 4.22 0.45 4.39 -0.00 -0.48 -4.96 116.67 120.49 1o8x s ASP 144 Ca 0.64 2.37 -0.25 0.00 -0.00 0.00 0.00 52.55 55.31 1o8x s ASP 144 Cb -0.60 -2.59 -0.08 0.00 -0.00 0.00 0.00 42.92 39.65 1o8x s ASP 144 CO 0.52 -2.25 1.35 0.00 -0.00 0.00 0.00 175.17 174.80 1o8x s ALA 145 N -1.96 3.15 0.00 5.23 0.00 -1.26 -5.03 121.76 121.90 1o8x s ALA 145 Ca 0.75 1.32 0.00 0.00 0.00 0.00 0.00 51.96 54.03 1o8x s ALA 145 Cb -0.29 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1o8x s ALA 145 CO 0.45 -1.06 0.00 -2.30 0.00 0.00 0.00 175.76 172.85