#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r1x s VAL 2 N 0.00 4.49 -0.05 6.31 1.01 -1.26 -4.19 120.40 126.72 2r1x s VAL 2 Ca 0.00 2.02 0.02 0.00 0.00 0.00 0.00 61.98 64.02 2r1x s VAL 2 Cb 0.00 -4.29 0.01 0.00 0.00 0.00 0.00 36.38 32.10 2r1x s VAL 2 CO 0.00 0.29 -0.08 -0.54 0.00 0.00 0.00 175.10 174.76 2r1x s LYS 3 N 0.14 1.14 -0.07 2.72 -0.14 -0.41 -5.00 119.74 118.12 2r1x s LYS 3 Ca 0.48 -0.26 0.02 0.00 -1.36 0.00 0.00 55.97 54.85 2r1x s LYS 3 Cb -0.24 -1.03 0.02 0.00 -1.68 0.00 0.00 37.83 34.90 2r1x s LYS 3 CO 0.30 0.01 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.30 2r1x s LEU 4 N 0.62 1.49 -0.16 3.17 1.43 -1.26 -1.47 118.68 122.50 2r1x s LEU 4 Ca -0.10 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.71 2r1x s LEU 4 Cb -0.13 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.42 2r1x s LEU 4 CO 0.01 -0.01 0.06 -0.69 0.23 0.00 0.00 176.35 175.95 2r1x s VAL 5 N 0.87 0.20 0.41 -1.59 1.01 -0.12 -4.06 120.40 117.12 2r1x s VAL 5 Ca -0.11 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.41 2r1x s VAL 5 Cb -0.15 -0.72 -0.11 0.00 0.00 0.00 0.00 36.38 35.41 2r1x s VAL 5 CO 0.01 -0.16 0.93 -1.61 0.00 0.00 0.00 175.10 174.27 2r1x s GLU 6 N 2.01 4.26 0.13 2.72 8.01 -1.26 -0.93 118.70 133.64 2r1x s GLU 6 Ca 0.01 1.11 -0.07 0.00 0.01 0.00 0.00 54.97 56.03 2r1x s GLU 6 Cb -0.16 -2.28 -0.01 0.00 -4.31 0.00 0.00 34.13 27.37 2r1x s GLU 6 CO -0.08 0.02 0.20 -1.12 0.01 0.00 0.00 175.26 174.30 2r1x s SER 7 N -2.12 0.13 0.00 -0.19 0.01 0.07 -4.80 113.70 106.81 2r1x s SER 7 Ca 0.60 -0.89 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2r1x s SER 7 Cb -0.10 0.37 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2r1x s SER 7 CO 0.15 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.60 2r1x n GLY 8 N -0.14 0.70 3.69 3.44 0.00 -1.26 -1.20 105.19 110.42 2r1x n GLY 8 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 2r1x n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2r1x s GLY 9 N -1.81 1.64 0.00 -0.02 0.00 -1.26 -4.80 107.32 101.07 2r1x s GLY 9 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 44.72 44.93 2r1x s GLY 9 CO 0.00 0.67 0.00 0.61 0.00 0.00 0.00 173.10 174.38 2r1x n GLY 10 N -0.49 -0.40 3.77 0.20 0.00 -0.13 -4.89 105.19 103.25 2r1x n GLY 10 Ca 0.08 -1.35 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 2r1x n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2r1x s LEU 11 N 0.00 4.43 -0.04 0.99 2.96 -1.26 -1.14 118.68 124.61 2r1x s LEU 11 Ca 0.00 1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 2r1x s LEU 11 Cb 0.00 -2.90 0.02 0.00 0.50 0.00 0.00 46.19 43.80 2r1x s LEU 11 CO 0.00 0.12 0.25 0.54 -1.32 0.00 0.00 176.35 175.94 2r1x s VAL 12 N -0.29 0.04 0.51 1.68 0.11 -0.05 -4.96 120.40 117.44 2r1x s VAL 12 Ca 0.30 -0.36 -0.17 0.00 -2.93 0.00 0.00 61.98 58.82 2r1x s VAL 12 Cb -0.18 -0.48 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 2r1x s VAL 12 CO 0.17 -0.20 0.98 -1.10 -3.33 0.00 0.00 175.10 171.63 2r1x s GLN 13 N -0.81 3.96 0.20 1.54 -0.21 -1.26 -1.27 119.66 121.82 2r1x s GLN 13 Ca -0.09 0.98 -0.32 0.00 0.02 0.00 0.00 55.36 55.94 2r1x s GLN 13 Cb -0.05 -2.14 -0.14 0.00 1.00 0.00 0.00 33.01 31.68 2r1x s GLN 13 CO 0.02 -0.26 1.36 0.45 -2.12 0.00 0.00 175.29 174.74 2r1x n SER 14 N -1.50 2.31 0.00 5.90 2.88 -1.26 -1.14 113.62 120.81 2r1x n SER 14 Ca 0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2r1x n SER 14 Cb 0.54 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2r1x n SER 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2r1x n GLY 15 N 2.32 1.46 3.61 0.46 0.00 0.20 -4.93 105.19 108.31 2r1x n GLY 15 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 2r1x n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2r1x n GLY 16 N -2.00 -1.37 3.41 -0.02 0.00 -0.29 -4.02 105.19 100.89 2r1x n GLY 16 Ca 0.00 -1.72 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 2r1x n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2r1x s SER 17 N -5.50 3.16 -0.20 1.61 0.01 -1.26 -1.24 113.70 110.28 2r1x s SER 17 Ca 0.70 -0.96 -0.21 0.00 1.31 0.00 0.00 55.95 56.79 2r1x s SER 17 Cb -0.02 -0.23 0.06 0.00 0.21 0.00 0.00 66.02 66.04 2r1x s SER 17 CO 0.49 -0.00 0.58 -0.22 0.41 0.00 0.00 173.24 174.50 2r1x s LEU 18 N -3.12 -0.21 -0.12 2.44 2.96 -0.26 -5.00 118.68 115.36 2r1x s LEU 18 Ca 0.24 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.26 2r1x s LEU 18 Cb -0.05 2.01 -0.00 0.00 0.50 0.00 0.00 46.19 48.65 2r1x s LEU 18 CO 0.11 -0.25 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.09 2r1x s ARG 19 N 0.12 3.13 0.11 1.98 3.52 -1.26 -0.52 118.95 126.02 2r1x s ARG 19 Ca -0.01 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 54.76 2r1x s ARG 19 Cb -0.04 -2.43 -0.04 0.00 -1.56 0.00 0.00 34.95 30.88 2r1x s ARG 19 CO 0.02 0.12 0.27 -0.51 -0.81 0.00 0.00 175.30 174.39 2r1x s LEU 20 N 0.51 4.33 0.23 -0.88 1.02 0.42 -4.75 118.68 119.56 2r1x s LEU 20 Ca -0.13 0.31 0.10 0.00 0.02 0.00 0.00 54.13 54.42 2r1x s LEU 20 Cb -0.17 -3.02 -0.05 0.00 0.02 0.00 0.00 46.19 42.97 2r1x s LEU 20 CO 0.05 0.10 -0.18 -0.94 0.02 0.00 0.00 176.35 175.41 2r1x s SER 21 N -2.73 3.03 -0.28 2.29 1.04 -0.34 -1.33 113.70 115.38 2r1x s SER 21 Ca 0.36 -0.99 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 2r1x s SER 21 Cb -0.12 -0.21 0.11 0.00 0.10 0.00 0.00 66.02 65.90 2r1x s SER 21 CO 0.28 -0.05 0.18 0.00 0.98 0.00 0.00 173.24 174.62 2r1x s ALA 23 N 2.19 3.31 0.13 0.00 0.00 -0.10 -0.96 121.76 126.32 2r1x s ALA 23 Ca 0.09 0.54 0.05 0.00 0.00 0.00 0.00 51.96 52.63 2r1x s ALA 23 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2r1x s ALA 23 CO -0.33 0.09 -0.12 0.95 0.00 0.00 0.00 175.76 176.35 2r1x s THR 24 N -0.50 1.24 0.12 0.00 -4.23 -0.69 -0.95 115.64 110.63 2r1x s THR 24 Ca 0.43 -1.78 -0.24 0.00 -1.18 0.00 0.00 61.69 58.91 2r1x s THR 24 Cb -0.24 -1.57 0.08 0.00 1.34 0.00 0.00 72.50 72.10 2r1x s THR 24 CO 0.29 -0.52 0.68 -0.94 -0.54 0.00 0.00 174.62 173.60 2r1x s SER 25 N -2.62 -0.50 0.00 3.99 1.04 -0.54 -4.82 113.70 110.25 2r1x s SER 25 Ca 0.10 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2r1x s SER 25 Cb -0.03 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.64 2r1x s SER 25 CO 0.02 -0.90 0.00 0.61 0.98 0.00 0.00 173.24 173.95 2r1x n GLY 26 N -0.35 0.71 3.46 7.32 0.00 -1.26 -1.29 105.19 113.79 2r1x n GLY 26 Ca -0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.78 2r1x n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r1x s PHE 27 N -2.23 -0.09 -0.91 1.61 -0.71 -1.26 -4.48 117.98 109.90 2r1x s PHE 27 Ca 0.00 -0.25 -0.24 0.00 -1.04 0.00 0.00 56.93 55.39 2r1x s PHE 27 Cb 0.00 0.32 0.03 0.00 -1.21 0.00 0.00 43.02 42.16 2r1x s PHE 27 CO 0.00 -0.85 1.45 0.99 -1.34 0.00 0.00 175.22 175.47 2r1x s THR 28 N -3.87 3.80 0.23 -4.49 2.01 -1.26 -4.88 115.64 107.19 2r1x s THR 28 Ca 0.09 -0.35 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 2r1x s THR 28 Cb 0.00 -4.90 0.27 0.00 0.01 0.00 0.00 72.50 67.88 2r1x s THR 28 CO -0.05 -1.80 1.63 0.15 -0.69 0.00 0.00 174.62 173.86 2r1x h PHE 29 N 10.18 -0.22 0.00 4.92 3.57 -1.97 -1.28 116.94 132.14 2r1x h PHE 29 Ca 0.03 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.59 2r1x h PHE 29 Cb 1.03 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2r1x h PHE 29 CO 1.22 -0.27 0.00 0.25 -2.23 0.00 0.00 178.31 177.28 2r1x n THR 30 N -5.41 0.90 0.44 4.41 -2.24 -1.26 -1.82 114.28 109.31 2r1x n THR 30 Ca 0.11 0.27 0.13 0.00 -2.27 0.00 0.00 64.05 62.29 2r1x n THR 30 Cb 0.40 -1.17 0.46 0.00 -2.10 0.00 0.00 70.33 67.93 2r1x n THR 30 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2r1x h ASP 31 N 0.00 0.00 -4.45 3.42 3.32 -1.64 -1.05 116.42 116.02 2r1x h ASP 31 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 2r1x h ASP 31 Cb 0.31 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.56 2r1x h ASP 31 CO 0.00 0.00 -0.89 -0.31 -1.72 0.00 0.00 179.24 176.32 2r1x s TYR 32 N -3.29 2.32 0.63 4.55 2.02 -0.75 -4.45 117.35 118.37 2r1x s TYR 32 Ca 0.06 -0.50 -0.18 0.00 -0.37 0.00 0.00 57.07 56.08 2r1x s TYR 32 Cb 0.10 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 40.14 2r1x s TYR 32 CO 0.51 -0.08 1.20 0.71 -1.57 0.00 0.00 175.55 176.31 2r1x s TYR 33 N -0.49 2.35 -0.03 2.71 1.51 0.69 -4.16 117.35 119.92 2r1x s TYR 33 Ca 0.07 1.53 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 2r1x s TYR 33 Cb -0.11 -3.45 0.01 0.00 -0.11 0.00 0.00 41.96 38.30 2r1x s TYR 33 CO 0.00 -2.24 -0.08 -1.64 -1.11 0.00 0.00 175.55 170.48 2r1x s MET 34 N -3.51 1.01 0.20 -0.62 -1.94 -0.46 -1.23 119.30 112.74 2r1x s MET 34 Ca 0.76 -0.27 0.07 0.00 -1.71 0.00 0.00 55.69 54.54 2r1x s MET 34 Cb -0.29 -0.93 -0.04 0.00 2.01 0.00 0.00 34.83 35.57 2r1x s MET 34 CO 0.36 0.06 0.07 -1.12 -0.01 0.00 0.00 175.02 174.38 2r1x s SER 35 N 0.41 5.07 -0.00 3.03 0.01 -0.20 -1.13 113.70 120.89 2r1x s SER 35 Ca -0.06 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 56.90 2r1x s SER 35 Cb -0.11 -1.17 -0.03 0.00 0.21 0.00 0.00 66.02 64.92 2r1x s SER 35 CO 0.01 0.05 -0.13 0.26 0.41 0.00 0.00 173.24 173.84 2r1x s TRP 36 N -1.90 2.73 0.00 2.43 0.52 -0.50 -1.14 118.94 121.08 2r1x s TRP 36 Ca 0.30 -0.14 0.01 0.00 0.02 0.00 0.00 56.10 56.28 2r1x s TRP 36 Cb -0.09 -1.57 -0.01 0.00 -1.15 0.00 0.00 33.47 30.65 2r1x s TRP 36 CO 0.21 0.27 -0.03 0.08 0.02 0.00 0.00 176.95 177.51 2r1x s VAL 37 N -0.88 0.18 0.31 4.03 1.01 0.03 -0.96 120.40 124.11 2r1x s VAL 37 Ca 0.14 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.94 2r1x s VAL 37 Cb -0.11 -0.19 -0.06 0.00 0.00 0.00 0.00 36.38 36.02 2r1x s VAL 37 CO 0.04 -0.05 -0.05 0.00 0.00 0.00 0.00 175.10 175.05 2r1x s ARG 38 N -0.32 1.66 -0.24 2.72 1.70 -0.02 -0.08 118.95 124.37 2r1x s ARG 38 Ca -0.02 -1.86 -0.03 0.00 -0.47 0.00 0.00 55.73 53.35 2r1x s ARG 38 Cb -0.03 -1.30 0.12 0.00 -0.57 0.00 0.00 34.95 33.18 2r1x s ARG 38 CO -0.00 0.03 0.29 -1.14 -1.08 0.00 0.00 175.30 173.40 2r1x s GLN 39 N -3.72 0.28 0.65 3.89 0.74 0.62 -0.46 119.66 121.65 2r1x s GLN 39 Ca 0.31 0.21 -0.17 0.00 0.05 0.00 0.00 55.36 55.77 2r1x s GLN 39 Cb 0.04 -0.83 -0.01 0.00 1.10 0.00 0.00 33.01 33.32 2r1x s GLN 39 CO 0.14 -0.76 1.19 -2.14 -0.55 0.00 0.00 175.29 173.17 2r1x s PRO 40 N 2.41 2.68 -0.06 1.67 0.02 -1.26 -0.83 135.00 139.62 2r1x s PRO 40 Ca 0.09 1.73 -0.37 0.00 0.02 0.00 0.00 61.00 62.48 2r1x s PRO 40 Cb -0.15 -1.90 -0.15 0.00 0.02 0.00 0.00 34.50 32.32 2r1x s PRO 40 CO -0.19 -1.41 1.64 -2.30 -0.33 0.00 0.00 177.00 174.40 2r1x n PRO 41 N -2.09 1.56 -1.03 5.54 -0.02 -1.26 -1.33 135.00 136.37 2r1x n PRO 41 Ca 0.13 0.57 -0.01 0.00 -2.02 0.00 0.00 63.50 62.17 2r1x n PRO 41 Cb 0.50 -2.29 -0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2r1x n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1x n GLY 42 N 3.65 0.43 3.77 -1.23 0.00 -1.26 -5.00 105.19 105.54 2r1x n GLY 42 Ca 0.22 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2r1x n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2r1x s LYS 43 N -0.96 2.22 0.71 1.61 -0.14 -0.44 -5.14 119.74 117.59 2r1x s LYS 43 Ca 0.00 -2.44 -0.11 0.00 -1.36 0.00 0.00 55.97 52.06 2r1x s LYS 43 Cb 0.00 -1.44 0.01 0.00 -1.68 0.00 0.00 37.83 34.72 2r1x s LYS 43 CO 0.00 -0.42 1.08 0.00 -0.76 0.00 0.00 175.35 175.25 2r1x s ALA 44 N -2.93 2.79 0.37 5.17 0.00 -1.26 -4.67 121.76 121.23 2r1x s ALA 44 Ca 0.02 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.48 2r1x s ALA 44 Cb 0.00 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.96 2r1x s ALA 44 CO 0.02 -1.18 1.30 -0.51 0.00 0.00 0.00 175.76 175.38 2r1x s LEU 45 N -5.43 4.31 -0.13 0.00 1.43 -1.26 -4.36 118.68 113.24 2r1x s LEU 45 Ca 0.58 2.65 -0.00 0.00 -1.03 0.00 0.00 54.13 56.32 2r1x s LEU 45 Cb -0.12 -3.80 0.03 0.00 0.03 0.00 0.00 46.19 42.33 2r1x s LEU 45 CO 0.53 -0.70 -0.07 -0.70 0.23 0.00 0.00 176.35 175.64 2r1x s GLU 46 N -2.05 1.49 0.15 1.70 2.12 0.39 -4.98 118.70 117.51 2r1x s GLU 46 Ca 0.53 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 55.25 2r1x s GLU 46 Cb -0.38 -1.69 -0.07 0.00 0.26 0.00 0.00 34.13 32.24 2r1x s GLU 46 CO 0.50 -0.31 1.22 -0.46 -0.54 0.00 0.00 175.26 175.66 2r1x s TRP 47 N 1.69 3.41 -0.19 5.30 -0.00 -1.26 -0.84 118.94 127.05 2r1x s TRP 47 Ca 0.04 1.35 0.05 0.00 -0.00 0.00 0.00 56.10 57.53 2r1x s TRP 47 Cb -0.13 -3.45 -0.15 0.00 -0.00 0.00 0.00 33.47 29.74 2r1x s TRP 47 CO -0.08 -1.34 -0.12 1.28 -0.00 0.00 0.00 176.95 176.69 2r1x n LEU 48 N 3.02 2.24 0.00 5.86 4.77 -0.14 -4.62 117.00 128.14 2r1x n LEU 48 Ca 0.06 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2r1x n LEU 48 Cb 0.45 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 2r1x n LEU 48 CO 0.56 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.96 2r1x n GLY 49 N 2.39 1.17 3.17 -0.72 0.00 -1.21 -0.57 105.19 109.43 2r1x n GLY 49 Ca -0.34 -0.89 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2r1x n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2r1x s PHE 50 N -2.00 0.94 -0.08 1.61 -0.12 -0.21 -1.41 117.98 116.71 2r1x s PHE 50 Ca 0.00 -1.13 0.04 0.00 -0.05 0.00 0.00 56.93 55.80 2r1x s PHE 50 Cb 0.00 -0.54 -0.00 0.00 -0.63 0.00 0.00 43.02 41.84 2r1x s PHE 50 CO 0.00 -0.38 -0.23 -1.50 -0.05 0.00 0.00 175.22 173.06 2r1x s ILE 51 N -3.88 1.98 0.97 -4.49 2.07 -0.28 -1.85 121.20 115.71 2r1x s ILE 51 Ca 0.21 -0.99 -0.13 0.00 -1.41 0.00 0.00 60.65 58.33 2r1x s ILE 51 Cb 0.07 -1.70 0.17 0.00 0.13 0.00 0.00 42.46 41.13 2r1x s ILE 51 CO 0.01 0.55 1.13 -0.13 -1.91 0.00 0.00 174.94 174.59 2r1x s ARG 52 N 0.21 0.68 0.93 3.50 0.52 0.10 -1.36 118.95 123.54 2r1x s ARG 52 Ca -0.14 0.26 -0.13 0.00 -0.52 0.00 0.00 55.73 55.21 2r1x s ARG 52 Cb -0.16 -1.79 0.21 0.00 0.52 0.00 0.00 34.95 33.72 2r1x s ARG 52 CO 0.07 -2.50 1.27 0.54 0.02 0.00 0.00 175.30 174.70 2r1x s ASN 52 N -3.92 3.16 0.23 0.23 2.20 -1.26 -4.03 114.94 111.55 2r1x s ASN 52 Ca 0.65 0.00 -0.07 0.00 -0.94 0.00 0.00 52.86 52.51 2r1x s ASN 52 Cb -0.15 -0.03 0.21 0.00 -2.00 0.00 0.00 41.25 39.28 2r1x s ASN 52 CO 0.55 -2.68 1.88 0.50 -2.94 0.00 0.00 177.10 174.40 2r1x h LYS 52 N -1.48 1.22 -0.31 3.55 3.64 -1.50 -1.39 116.57 120.30 2r1x h LYS 52 Ca -0.42 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 58.94 2r1x h LYS 52 Cb 1.23 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2r1x h LYS 52 CO 0.33 0.86 0.24 0.00 -2.27 0.00 0.00 179.45 178.61 2r1x h ALA 52 N 1.29 2.20 -0.38 5.00 0.00 -1.94 -1.32 119.26 124.12 2r1x h ALA 52 Ca 0.32 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2r1x h ALA 52 Cb -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2r1x h ALA 52 CO -0.06 -0.39 0.00 0.09 0.00 0.00 0.00 179.25 178.89 2r1x n ASN 52 N -4.29 4.61 -0.57 0.00 3.02 -0.60 -4.96 115.26 112.47 2r1x n ASN 52 Ca 0.04 -3.00 -0.07 0.00 -0.03 0.00 0.00 54.58 51.52 2r1x n ASN 52 Cb 0.40 -0.60 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 2r1x n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2r1x n GLY 52 N -0.08 0.94 2.53 7.41 0.00 -0.50 -3.53 105.19 111.96 2r1x n GLY 52 Ca 0.24 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 2r1x n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2r1x n TYR 53 N -2.72 -1.28 -1.73 1.61 4.01 -0.74 -4.95 117.16 111.36 2r1x n TYR 53 Ca -0.07 0.08 -0.32 0.00 -0.16 0.00 0.00 57.90 57.43 2r1x n TYR 53 Cb 0.28 -3.57 0.04 0.00 -0.31 0.00 0.00 39.34 35.77 2r1x n TYR 53 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2r1x s THR 54 N -2.91 3.88 0.16 -0.72 -4.23 -1.23 -4.44 115.64 106.15 2r1x s THR 54 Ca 0.05 0.72 0.08 0.00 -1.18 0.00 0.00 61.69 61.35 2r1x s THR 54 Cb -0.02 -3.35 -0.04 0.00 1.34 0.00 0.00 72.50 70.42 2r1x s THR 54 CO 0.06 -0.70 -0.06 0.42 -0.54 0.00 0.00 174.62 173.80 2r1x s THR 55 N -2.81 3.42 0.04 3.99 -4.23 -1.26 0.01 115.64 114.80 2r1x s THR 55 Ca 0.60 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 2r1x s THR 55 Cb -0.15 -2.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.99 2r1x s THR 55 CO 0.48 -0.05 0.02 -1.61 -0.54 0.00 0.00 174.62 172.93 2r1x s GLU 56 N -2.69 0.51 0.02 3.99 0.41 -0.77 -5.01 118.70 115.16 2r1x s GLU 56 Ca 0.25 -0.84 0.01 0.00 -0.41 0.00 0.00 54.97 53.98 2r1x s GLU 56 Cb -0.10 0.19 -0.01 0.00 -1.78 0.00 0.00 34.13 32.43 2r1x s GLU 56 CO 0.16 -0.11 -0.04 0.71 -0.49 0.00 0.00 175.26 175.49 2r1x s TYR 57 N -2.61 0.37 0.57 1.61 2.02 -1.26 -1.04 117.35 117.00 2r1x s TYR 57 Ca -0.05 -0.31 -0.21 0.00 -0.37 0.00 0.00 57.07 56.13 2r1x s TYR 57 Cb -0.01 -0.24 -0.04 0.00 -0.40 0.00 0.00 41.96 41.27 2r1x s TYR 57 CO -0.05 -0.08 1.31 -1.54 -1.57 0.00 0.00 175.55 173.62 2r1x s SER 58 N -0.88 5.20 0.54 2.29 1.04 0.27 -4.77 113.70 117.38 2r1x s SER 58 Ca -0.07 2.64 0.31 0.00 0.48 0.00 0.00 55.95 59.31 2r1x s SER 58 Cb -0.06 -2.62 1.47 0.00 0.10 0.00 0.00 66.02 64.91 2r1x s SER 58 CO -0.00 -1.61 1.89 -0.65 0.98 0.00 0.00 173.24 173.86 2r1x h PRO 59 N 1.24 0.00 0.00 4.02 0.11 -1.94 -0.09 132.00 135.34 2r1x h PRO 59 Ca -0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2r1x h PRO 59 Cb 1.30 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.41 2r1x h PRO 59 CO 0.56 0.00 -0.04 0.66 -0.21 0.00 0.00 178.00 178.97 2r1x h SER 60 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.28 113.55 110.91 2r1x h SER 60 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 2r1x h SER 60 Cb 1.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.71 2r1x h SER 60 CO -0.00 0.04 0.00 1.33 -0.87 0.00 0.00 176.83 177.33 2r1x n VAL 61 N -3.28 0.00 -1.65 0.95 0.24 -0.76 -5.03 118.33 108.79 2r1x n VAL 61 Ca -0.01 -0.19 -0.47 0.00 -2.04 0.00 0.00 64.34 61.63 2r1x n VAL 61 Cb 0.20 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 2r1x n VAL 61 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2r1x n LYS 62 N -0.23 1.94 -0.03 7.34 4.81 -0.12 -1.20 118.16 130.67 2r1x n LYS 62 Ca 0.00 0.70 0.00 0.00 -0.87 0.00 0.00 58.31 58.14 2r1x n LYS 62 Cb 0.06 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 32.70 2r1x n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2r1x n GLY 63 N 2.93 1.24 0.00 3.14 0.00 -1.26 -4.81 105.19 106.43 2r1x n GLY 63 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2r1x n GLY 63 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2r1x n ARG 64 N -2.00 1.73 -4.23 1.61 0.63 -0.34 -5.04 116.66 109.02 2r1x n ARG 64 Ca 0.00 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.62 2r1x n ARG 64 Cb 0.00 -0.95 -0.09 0.00 0.45 0.00 0.00 32.46 31.88 2r1x n ARG 64 CO 0.00 0.00 0.00 -0.06 -2.51 0.00 0.00 177.63 175.06 2r1x s PHE 65 N -1.89 2.94 -0.06 -0.14 0.40 -0.76 -2.04 117.98 116.44 2r1x s PHE 65 Ca 0.00 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.31 2r1x s PHE 65 Cb 0.00 -1.55 0.02 0.00 0.51 0.00 0.00 43.02 42.00 2r1x s PHE 65 CO 0.00 0.45 -0.09 0.99 0.70 0.00 0.00 175.22 177.27 2r1x s THR 66 N -1.21 0.88 -0.12 0.64 2.01 0.57 -4.82 115.64 113.60 2r1x s THR 66 Ca 0.23 -0.32 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 2r1x s THR 66 Cb -0.11 -0.84 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 2r1x s THR 66 CO 0.14 0.30 0.10 -0.63 -0.69 0.00 0.00 174.62 173.85 2r1x s ILE 67 N 0.85 5.19 0.24 1.82 1.01 -1.26 -0.37 121.20 128.67 2r1x s ILE 67 Ca -0.12 0.09 -0.03 0.00 0.00 0.00 0.00 60.65 60.59 2r1x s ILE 67 Cb -0.15 -3.25 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 2r1x s ILE 67 CO 0.01 0.60 0.26 -0.94 0.00 0.00 0.00 174.94 174.87 2r1x s SER 68 N -0.84 0.36 -0.07 3.58 1.04 -0.92 -4.97 113.70 111.88 2r1x s SER 68 Ca 0.14 -1.34 -0.11 0.00 0.48 0.00 0.00 55.95 55.11 2r1x s SER 68 Cb -0.12 0.47 0.02 0.00 0.10 0.00 0.00 66.02 66.50 2r1x s SER 68 CO 0.03 -0.98 0.27 0.00 0.98 0.00 0.00 173.24 173.55 2r1x s ARG 69 N -3.94 0.44 -0.44 4.02 1.70 -1.26 -0.65 118.95 118.82 2r1x s ARG 69 Ca 0.35 0.14 -0.12 0.00 -0.47 0.00 0.00 55.73 55.63 2r1x s ARG 69 Cb 0.04 0.20 0.07 0.00 -0.57 0.00 0.00 34.95 34.69 2r1x s ARG 69 CO 0.14 -0.09 0.32 0.34 -1.08 0.00 0.00 175.30 174.93 2r1x s ASP 70 N -0.43 5.88 0.00 -2.89 3.68 0.40 -4.96 116.67 118.35 2r1x s ASP 70 Ca -0.05 -1.39 0.29 0.00 2.13 0.00 0.00 52.55 53.53 2r1x s ASP 70 Cb -0.04 -2.08 1.18 0.00 -1.45 0.00 0.00 42.92 40.53 2r1x s ASP 70 CO 0.02 -0.58 1.86 0.59 0.13 0.00 0.00 175.17 177.19 2r1x n ASN 71 N 5.05 0.16 0.14 -0.34 5.03 -1.26 -0.44 115.26 123.60 2r1x n ASN 71 Ca -0.11 0.07 -0.24 0.00 0.87 0.00 0.00 54.58 55.17 2r1x n ASN 71 Cb 0.43 -0.27 -0.16 0.00 -1.02 0.00 0.00 39.78 38.77 2r1x n ASN 71 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2r1x h SER 72 N 0.10 0.85 -0.01 6.41 0.02 -1.97 -3.39 113.55 115.56 2r1x h SER 72 Ca 0.00 -0.91 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 2r1x h SER 72 Cb 0.43 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2r1x h SER 72 CO 0.00 1.69 -0.22 0.00 -1.14 0.00 0.00 176.83 177.16 2r1x n GLN 73 N -3.74 1.72 -3.30 3.45 6.02 -1.20 -5.01 117.38 115.32 2r1x n GLN 73 Ca -0.16 -0.80 -0.17 0.00 -0.01 0.00 0.00 57.00 55.86 2r1x n GLN 73 Cb 1.08 -1.18 0.07 0.00 1.02 0.00 0.00 30.24 31.23 2r1x n GLN 73 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2r1x n SER 74 N -0.03 -3.66 -4.45 1.08 7.64 0.42 -4.75 113.62 109.86 2r1x n SER 74 Ca 0.06 -0.49 -0.33 0.00 1.01 0.00 0.00 58.87 59.12 2r1x n SER 74 Cb 0.28 -4.35 -0.13 0.00 -1.01 0.00 0.00 64.21 59.00 2r1x n SER 74 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2r1x s ILE 75 N -3.29 3.13 -0.04 0.44 1.01 -0.87 -1.70 121.20 119.88 2r1x s ILE 75 Ca 0.22 -0.68 0.01 0.00 0.00 0.00 0.00 60.65 60.20 2r1x s ILE 75 Cb -0.10 -2.26 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 2r1x s ILE 75 CO 0.61 0.57 -0.03 -0.22 0.00 0.00 0.00 174.94 175.87 2r1x s LEU 76 N -0.40 3.36 0.09 2.97 2.96 -0.13 -0.45 118.68 127.08 2r1x s LEU 76 Ca 0.05 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.04 2r1x s LEU 76 Cb -0.12 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 2r1x s LEU 76 CO 0.02 0.33 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.87 2r1x s TYR 77 N -0.94 1.77 -0.17 5.38 2.02 0.18 0.13 117.35 125.72 2r1x s TYR 77 Ca 0.15 -0.41 -0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2r1x s TYR 77 Cb -0.11 -0.99 0.05 0.00 -0.40 0.00 0.00 41.96 40.51 2r1x s TYR 77 CO 0.05 0.18 -0.01 -1.17 -1.57 0.00 0.00 175.55 173.03 2r1x s LEU 78 N -1.74 1.40 -0.22 -1.29 2.96 -0.44 -2.16 118.68 117.19 2r1x s LEU 78 Ca 0.06 -0.72 -0.17 0.00 -0.22 0.00 0.00 54.13 53.09 2r1x s LEU 78 Cb -0.10 -0.74 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 2r1x s LEU 78 CO 0.04 -0.25 0.47 -1.58 -1.32 0.00 0.00 176.35 173.71 2r1x s GLN 79 N 1.75 4.14 -0.13 1.98 2.00 0.50 -0.43 119.66 129.47 2r1x s GLN 79 Ca -0.00 0.30 -0.00 0.00 -2.00 0.00 0.00 55.36 53.65 2r1x s GLN 79 Cb -0.16 -3.58 -0.01 0.00 0.80 0.00 0.00 33.01 30.05 2r1x s GLN 79 CO -0.07 -0.17 -0.13 -1.64 -0.50 0.00 0.00 175.29 172.78 2r1x s MET 80 N 1.71 3.39 0.26 1.67 -1.94 0.32 -0.31 119.30 124.40 2r1x s MET 80 Ca 0.21 -0.68 0.10 0.00 -1.71 0.00 0.00 55.69 53.62 2r1x s MET 80 Cb -0.15 -2.65 -0.05 0.00 2.01 0.00 0.00 34.83 33.99 2r1x s MET 80 CO 0.09 0.20 -0.18 -0.80 -0.01 0.00 0.00 175.02 174.32 2r1x s ASN 81 N 0.39 3.24 -1.34 3.03 0.01 -0.86 -1.10 114.94 118.30 2r1x s ASN 81 Ca -0.10 -1.03 -0.08 0.00 -0.71 0.00 0.00 52.86 50.94 2r1x s ASN 81 Cb -0.16 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.26 2r1x s ASN 81 CO 0.05 -0.04 0.48 0.41 -1.51 0.00 0.00 177.10 176.49 2r1x n THR 82 N -0.54 -3.46 -2.06 1.60 -1.04 -1.00 -4.83 114.28 102.95 2r1x n THR 82 Ca -0.06 -0.61 -0.38 0.00 -2.04 0.00 0.00 64.05 60.95 2r1x n THR 82 Cb 0.60 -2.84 0.00 0.00 -1.82 0.00 0.00 70.33 66.28 2r1x n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2r1x s LEU 82 N -6.94 4.06 0.22 -4.42 1.02 -0.37 -4.63 118.68 107.61 2r1x s LEU 82 Ca 0.15 2.57 0.03 0.00 0.02 0.00 0.00 54.13 56.89 2r1x s LEU 82 Cb -0.06 -4.10 -0.05 0.00 0.02 0.00 0.00 46.19 42.00 2r1x s LEU 82 CO 0.90 -1.04 0.02 -0.13 0.02 0.00 0.00 176.35 176.12 2r1x s ARG 83 N -2.54 1.28 0.39 1.70 1.81 -1.26 0.62 118.95 120.95 2r1x s ARG 83 Ca 0.62 -1.65 0.15 0.00 -1.72 0.00 0.00 55.73 53.14 2r1x s ARG 83 Cb -0.36 -0.44 1.01 0.00 -0.45 0.00 0.00 34.95 34.71 2r1x s ARG 83 CO 0.44 -0.15 1.81 0.00 -0.68 0.00 0.00 175.30 176.72 2r1x h ALA 84 N 2.52 2.09 0.00 2.13 0.00 -1.97 0.13 119.26 124.16 2r1x h ALA 84 Ca -0.38 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2r1x h ALA 84 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2r1x h ALA 84 CO 0.63 -0.44 0.00 1.49 0.00 0.00 0.00 179.25 180.94 2r1x h GLU 85 N 0.49 0.00 -0.00 0.00 4.22 -1.96 -1.36 114.58 115.96 2r1x h GLU 85 Ca 0.53 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.97 2r1x h GLU 85 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2r1x h GLU 85 CO -0.26 0.00 -0.25 -0.25 -2.18 0.00 0.00 179.01 176.07 2r1x n ASP 86 N -2.39 0.32 -4.66 1.04 10.43 0.44 -4.84 116.55 116.89 2r1x n ASP 86 Ca -0.01 -0.02 -0.42 0.00 2.57 0.00 0.00 54.79 56.91 2r1x n ASP 86 Cb 0.10 -0.09 -0.03 0.00 1.84 0.00 0.00 41.12 42.94 2r1x n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 2r1x s SER 87 N -2.91 6.53 -0.13 -2.24 0.01 -0.52 -4.88 113.70 109.55 2r1x s SER 87 Ca 0.15 2.44 -0.34 0.00 1.31 0.00 0.00 55.95 59.51 2r1x s SER 87 Cb 0.18 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 64.02 2r1x s SER 87 CO 0.60 -1.02 1.28 0.00 0.41 0.00 0.00 173.24 174.51 2r1x s ALA 88 N 4.36 -2.18 -0.02 1.44 0.00 -0.55 -4.41 121.76 120.40 2r1x s ALA 88 Ca 0.82 1.26 -0.26 0.00 0.00 0.00 0.00 51.96 53.77 2r1x s ALA 88 Cb -0.38 0.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 2r1x s ALA 88 CO 0.36 -0.79 0.83 0.99 0.00 0.00 0.00 175.76 177.14 2r1x s THR 89 N -2.35 4.93 -0.19 0.00 2.01 -0.01 -0.68 115.64 119.35 2r1x s THR 89 Ca 0.12 1.73 -0.04 0.00 0.31 0.00 0.00 61.69 63.80 2r1x s THR 89 Cb 0.02 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2r1x s THR 89 CO -0.04 0.23 -0.02 -0.31 -0.69 0.00 0.00 174.62 173.79 2r1x s TYR 90 N 0.78 3.02 -0.07 4.92 1.51 0.20 -0.28 117.35 127.43 2r1x s TYR 90 Ca 0.44 -0.49 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 2r1x s TYR 90 Cb -0.19 -2.05 -0.03 0.00 -0.11 0.00 0.00 41.96 39.58 2r1x s TYR 90 CO 0.23 -0.23 -0.11 0.71 -1.11 0.00 0.00 175.55 175.03 2r1x s TYR 91 N 0.91 2.81 0.11 2.71 2.02 0.89 -1.11 117.35 125.69 2r1x s TYR 91 Ca 0.01 -0.17 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 2r1x s TYR 91 Cb -0.14 -1.71 -0.06 0.00 -0.40 0.00 0.00 41.96 39.65 2r1x s TYR 91 CO 0.02 0.17 0.39 0.00 -1.57 0.00 0.00 175.55 174.55 2r1x s ALA 93 N -1.54 0.23 0.19 0.00 0.00 -0.29 -1.37 121.76 118.99 2r1x s ALA 93 Ca 0.37 -0.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.00 2r1x s ALA 93 Cb -0.13 -0.12 -0.08 0.00 0.00 0.00 0.00 23.12 22.79 2r1x s ALA 93 CO 0.21 0.02 1.24 0.50 0.00 0.00 0.00 175.76 177.74 2r1x s ARG 94 N 0.23 4.45 0.00 0.00 3.52 0.14 -1.03 118.95 126.26 2r1x s ARG 94 Ca -0.02 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 57.53 2r1x s ARG 94 Cb -0.04 -3.22 0.00 0.00 -1.56 0.00 0.00 34.95 30.12 2r1x s ARG 94 CO -0.01 -0.16 0.00 -3.47 -0.81 0.00 0.00 175.30 170.85 2r1x n ASP 95 N 2.58 0.00 -4.72 -2.12 4.64 -0.37 -2.45 116.55 114.11 2r1x n ASP 95 Ca 0.05 0.00 -0.40 0.00 -1.38 0.00 0.00 54.79 53.06 2r1x n ASP 95 Cb 0.44 0.00 0.03 0.00 -1.04 0.00 0.00 41.12 40.54 2r1x n ASP 95 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 2r1x n HIS 96 N 0.00 2.19 -0.34 -0.67 -0.00 -1.26 -4.50 115.22 110.64 2r1x n HIS 96 Ca 0.00 0.46 0.04 0.00 -0.00 0.00 0.00 57.72 58.22 2r1x n HIS 96 Cb 0.00 -2.37 0.06 0.00 -0.00 0.00 0.00 29.99 27.68 2r1x n HIS 96 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 2r1x n ASP 97 N -0.30 2.26 0.00 0.26 5.75 -1.26 -0.22 116.55 123.04 2r1x n ASP 97 Ca 0.08 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.53 2r1x n ASP 97 Cb 0.42 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 2r1x n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2r1x n GLY 98 N -0.65 1.01 1.25 6.12 0.00 -1.26 -4.85 105.19 106.80 2r1x n GLY 98 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2r1x n GLY 98 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2r1x n TYR 99 N -2.00 0.00 -2.19 1.61 4.19 -1.26 -5.09 117.16 112.42 2r1x n TYR 99 Ca 0.00 0.00 -0.41 0.00 3.31 0.00 0.00 57.90 60.80 2r1x n TYR 99 Cb 0.00 0.15 -0.03 0.00 0.49 0.00 0.00 39.34 39.96 2r1x n TYR 99 CO 0.00 0.00 0.00 0.71 0.91 0.00 0.00 176.86 178.48 2r1x s TYR 100 N -0.94 3.20 -0.61 2.98 2.02 -1.26 -4.99 117.35 117.76 2r1x s TYR 100 Ca 0.00 1.32 -0.15 0.00 -0.37 0.00 0.00 57.07 57.87 2r1x s TYR 100 Cb 0.00 -3.61 0.15 0.00 -0.40 0.00 0.00 41.96 38.10 2r1x s TYR 100 CO 0.00 -1.80 0.55 -1.21 -1.57 0.00 0.00 175.55 171.52 2r1x s GLU 100 N -0.84 3.09 -0.22 -0.62 0.41 -1.26 -4.21 118.70 115.05 2r1x s GLU 100 Ca 0.53 -1.93 -0.31 0.00 -0.41 0.00 0.00 54.97 52.85 2r1x s GLU 100 Cb -0.38 -4.28 0.16 0.00 -1.78 0.00 0.00 34.13 27.85 2r1x s GLU 100 CO 0.44 -1.30 1.21 -0.98 -0.49 0.00 0.00 175.26 174.14 2r1x s ARG 100 N 1.17 0.28 -0.50 1.61 1.70 -1.26 -5.09 118.95 116.87 2r1x s ARG 100 Ca 0.07 0.01 -0.13 0.00 -0.47 0.00 0.00 55.73 55.21 2r1x s ARG 100 Cb -0.24 0.13 0.11 0.00 -0.57 0.00 0.00 34.95 34.38 2r1x s ARG 100 CO -0.01 -0.10 0.41 -0.06 -1.08 0.00 0.00 175.30 174.46 2r1x s PHE 100 N -1.49 3.31 0.23 5.89 0.40 -1.26 -4.17 117.98 120.89 2r1x s PHE 100 Ca 0.06 -1.45 -0.02 0.00 -0.60 0.00 0.00 56.93 54.93 2r1x s PHE 100 Cb -0.01 -3.52 0.23 0.00 0.51 0.00 0.00 43.02 40.23 2r1x s PHE 100 CO -0.04 -0.96 1.62 0.77 0.70 0.00 0.00 175.22 177.30 2r1x h SER 100 N 8.68 0.63 -4.60 1.36 0.02 -1.78 -3.46 113.55 114.39 2r1x h SER 100 Ca -0.26 -0.26 -0.17 0.00 -0.84 0.00 0.00 61.79 60.26 2r1x h SER 100 Cb 1.09 -0.18 -0.23 0.00 0.14 0.00 0.00 62.40 63.23 2r1x h SER 100 CO 0.93 0.92 -0.58 -0.31 -1.14 0.00 0.00 176.83 176.65 2r1x s TYR 100 N -4.37 0.06 0.04 3.45 2.02 -1.26 -5.02 117.35 112.27 2r1x s TYR 100 Ca -0.08 -0.12 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 2r1x s TYR 100 Cb 0.13 -0.06 -0.02 0.00 -0.40 0.00 0.00 41.96 41.60 2r1x s TYR 100 CO 0.82 -0.19 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.94 2r1x s TRP 101 N -0.96 0.83 1.10 2.71 0.52 -1.26 -0.68 118.94 121.20 2r1x s TRP 101 Ca -0.11 -0.41 -0.18 0.00 0.02 0.00 0.00 56.10 55.42 2r1x s TRP 101 Cb -0.06 -0.49 0.26 0.00 -1.15 0.00 0.00 33.47 32.03 2r1x s TRP 101 CO 0.00 -0.03 1.24 0.20 0.02 0.00 0.00 176.95 178.38 2r1x s GLY 102 N -1.34 1.71 0.15 0.98 0.00 -0.47 -4.75 107.32 103.60 2r1x s GLY 102 Ca -0.05 -1.18 0.26 0.00 0.00 0.00 0.00 44.72 43.75 2r1x s GLY 102 CO 0.01 -0.31 1.80 0.61 0.00 0.00 0.00 173.10 175.21 2r1x n GLN 103 N -4.32 0.18 0.00 2.90 0.00 -1.26 -4.89 117.38 110.00 2r1x n GLN 103 Ca 0.16 0.18 0.00 0.00 0.00 0.00 0.00 57.00 57.33 2r1x n GLN 103 Cb 0.59 -1.72 0.00 0.00 0.00 0.00 0.00 30.24 29.11 2r1x n GLN 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2r1x n GLY 104 N 1.20 -0.90 3.03 2.61 0.00 -1.26 -5.04 105.19 104.83 2r1x n GLY 104 Ca 0.06 -1.47 -0.25 0.00 0.00 0.00 0.00 46.02 44.36 2r1x n GLY 104 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2r1x s THR 105 N -3.23 1.17 -0.15 2.61 -1.32 -0.27 -4.83 115.64 109.61 2r1x s THR 105 Ca 0.00 -0.50 -0.22 0.00 -1.21 0.00 0.00 61.69 59.76 2r1x s THR 105 Cb 0.00 -1.06 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 2r1x s THR 105 CO 0.00 0.36 0.65 -0.22 -2.21 0.00 0.00 174.62 173.20 2r1x s LEU 106 N 0.64 4.21 -0.15 9.08 2.96 -1.26 -0.62 118.68 133.53 2r1x s LEU 106 Ca -0.14 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 54.69 2r1x s LEU 106 Cb -0.16 -2.95 -0.03 0.00 0.50 0.00 0.00 46.19 43.56 2r1x s LEU 106 CO 0.04 -0.21 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.11 2r1x s VAL 107 N 1.50 3.76 -0.15 1.68 1.01 0.15 -0.95 120.40 127.40 2r1x s VAL 107 Ca 0.31 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2r1x s VAL 107 Cb -0.16 -2.64 0.02 0.00 0.00 0.00 0.00 36.38 33.60 2r1x s VAL 107 CO 0.12 0.50 -0.18 -0.89 0.00 0.00 0.00 175.10 174.66 2r1x s THR 108 N 0.31 1.81 -0.37 3.92 2.01 -0.29 -1.48 115.64 121.55 2r1x s THR 108 Ca -0.05 -0.80 -0.12 0.00 0.31 0.00 0.00 61.69 61.03 2r1x s THR 108 Cb -0.14 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.73 2r1x s THR 108 CO 0.03 0.50 0.22 -0.69 -0.69 0.00 0.00 174.62 173.99 2r1x s VAL 109 N 1.19 4.83 -0.01 3.82 1.01 -1.26 -0.88 120.40 129.10 2r1x s VAL 109 Ca 0.00 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.06 2r1x s VAL 109 Cb -0.14 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.72 2r1x s VAL 109 CO -0.08 -0.16 0.81 -0.55 0.00 0.00 0.00 175.10 175.12 2r1x s SER 110 N 1.62 -0.47 0.05 3.32 0.15 -0.39 -4.59 113.70 113.39 2r1x s SER 110 Ca 0.04 0.23 0.25 0.00 0.70 0.00 0.00 55.95 57.16 2r1x s SER 110 Cb -0.18 0.44 0.49 0.00 -1.71 0.00 0.00 66.02 65.06 2r1x s SER 110 CO 0.08 -0.63 1.41 0.00 1.20 0.00 0.00 173.24 175.30 2r1x n ALA 111 N 0.16 3.21 -1.73 5.45 0.00 -1.26 -3.98 120.51 122.36 2r1x n ALA 111 Ca -0.13 -0.29 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 2r1x n ALA 111 Cb 0.61 -1.16 0.03 0.00 0.00 0.00 0.00 19.45 18.92 2r1x n ALA 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2r1x s ALA 112 N -3.07 2.56 0.60 0.00 0.00 -1.26 -5.02 121.76 115.58 2r1x s ALA 112 Ca 0.09 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 52.90 2r1x s ALA 112 Cb 0.16 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 2r1x s ALA 112 CO 0.70 -1.09 0.94 0.15 0.00 0.00 0.00 175.76 176.45 2r1x s LYS 113 N -3.39 3.13 0.09 0.00 1.02 -1.26 -5.02 119.74 114.32 2r1x s LYS 113 Ca 0.75 0.24 -0.31 0.00 0.02 0.00 0.00 55.97 56.68 2r1x s LYS 113 Cb -0.28 -2.21 -0.07 0.00 -0.52 0.00 0.00 37.83 34.75 2r1x s LYS 113 CO 0.32 -0.65 1.27 0.99 -0.92 0.00 0.00 175.35 176.37 2r1x s THR 114 N -3.04 3.72 -0.11 2.17 2.01 -1.26 -4.70 115.64 114.44 2r1x s THR 114 Ca 0.54 1.25 -0.00 0.00 0.31 0.00 0.00 61.69 63.78 2r1x s THR 114 Cb -0.11 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2r1x s THR 114 CO 0.48 0.10 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.54 2r1x s THR 115 N 1.01 1.01 0.59 -0.82 2.01 0.25 -4.95 115.64 114.74 2r1x s THR 115 Ca 0.61 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 2r1x s THR 115 Cb -0.33 -1.02 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2r1x s THR 115 CO 0.30 0.36 1.08 -2.16 -0.69 0.00 0.00 174.62 173.51 2r1x s PRO 116 N 1.59 3.25 0.56 4.92 0.04 -1.26 -1.11 135.00 142.99 2r1x s PRO 116 Ca 0.03 1.32 -0.17 0.00 0.04 0.00 0.00 61.00 62.22 2r1x s PRO 116 Cb -0.13 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.35 2r1x s PRO 116 CO -0.07 -0.88 1.05 -1.25 0.04 0.00 0.00 177.00 175.90 2r1x s PRO 117 N -3.87 3.45 -0.03 0.56 0.04 -1.26 -4.49 135.00 129.40 2r1x s PRO 117 Ca 0.66 1.25 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 2r1x s PRO 117 Cb -0.18 -2.05 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2r1x s PRO 117 CO 0.35 -0.71 0.41 -1.12 0.04 0.00 0.00 177.00 175.97 2r1x s SER 118 N -2.58 6.77 -0.16 6.66 0.01 -0.18 -4.91 113.70 119.31 2r1x s SER 118 Ca 0.65 0.92 0.01 0.00 1.31 0.00 0.00 55.95 58.83 2r1x s SER 118 Cb -0.16 -2.25 0.03 0.00 0.21 0.00 0.00 66.02 63.84 2r1x s SER 118 CO 0.32 0.27 -0.14 -0.69 0.41 0.00 0.00 173.24 173.41 2r1x s VAL 119 N -0.76 1.65 -0.04 3.43 1.01 -1.26 -0.17 120.40 124.26 2r1x s VAL 119 Ca 0.24 -0.73 0.07 0.00 0.00 0.00 0.00 61.98 61.55 2r1x s VAL 119 Cb -0.16 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 2r1x s VAL 119 CO 0.12 0.43 -0.24 -0.31 0.00 0.00 0.00 175.10 175.10 2r1x s TYR 120 N 1.44 2.30 0.35 5.22 2.02 0.17 -4.96 117.35 123.89 2r1x s TYR 120 Ca 0.04 -0.58 -0.25 0.00 -0.37 0.00 0.00 57.07 55.91 2r1x s TYR 120 Cb -0.13 -1.50 -0.10 0.00 -0.40 0.00 0.00 41.96 39.83 2r1x s TYR 120 CO -0.11 -0.14 0.99 -1.25 -1.57 0.00 0.00 175.55 173.47 2r1x s PRO 121 N -0.33 4.44 -0.35 -1.71 0.04 -1.26 -0.69 135.00 135.14 2r1x s PRO 121 Ca 0.02 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 2r1x s PRO 121 Cb -0.12 -2.71 0.09 0.00 0.04 0.00 0.00 34.50 31.79 2r1x s PRO 121 CO 0.02 0.13 0.08 -0.51 0.04 0.00 0.00 177.00 176.75 2r1x s LEU 122 N -2.25 4.60 0.05 -3.56 1.43 0.78 -4.85 118.68 114.87 2r1x s LEU 122 Ca 0.53 -1.81 0.07 0.00 -1.03 0.00 0.00 54.13 51.89 2r1x s LEU 122 Cb -0.20 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2r1x s LEU 122 CO 0.26 -0.39 -0.18 0.00 0.23 0.00 0.00 176.35 176.27 2r1x s ALA 123 N 1.10 2.63 0.46 4.21 0.00 -1.26 -1.22 121.76 127.67 2r1x s ALA 123 Ca 0.04 -1.21 -0.24 0.00 0.00 0.00 0.00 51.96 50.54 2r1x s ALA 123 Cb -0.21 -0.74 -0.08 0.00 0.00 0.00 0.00 23.12 22.09 2r1x s ALA 123 CO -0.04 0.58 1.31 -2.30 0.00 0.00 0.00 175.76 175.30 2r1x n PRO 124 N 1.43 1.92 0.13 0.00 -0.02 -1.26 -5.06 135.00 132.13 2r1x n PRO 124 Ca -0.16 0.69 0.11 0.00 -2.02 0.00 0.00 63.50 62.12 2r1x n PRO 124 Cb 0.52 -2.47 0.49 0.00 -0.02 0.00 0.00 33.50 32.03 2r1x n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2r1x n GLY 125 N 0.77 -1.19 0.14 -1.23 0.00 -1.26 -5.05 105.19 97.36 2r1x n GLY 125 Ca 0.07 0.09 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 2r1x n GLY 125 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2r1x n SER 132 N -2.19 -0.27 -4.84 1.61 2.88 -1.26 -5.25 113.62 104.31 2r1x n SER 132 Ca 0.02 0.62 -0.29 0.00 -1.33 0.00 0.00 58.87 57.88 2r1x n SER 132 Cb 0.20 -0.12 -0.05 0.00 -0.75 0.00 0.00 64.21 63.48 2r1x n SER 132 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 2r1x s MET 133 N -5.29 3.09 -0.00 -1.46 1.00 -1.26 -0.53 119.30 114.85 2r1x s MET 133 Ca -0.05 -0.64 0.06 0.00 0.00 0.00 0.00 55.69 55.06 2r1x s MET 133 Cb 0.06 -2.82 -0.02 0.00 0.00 0.00 0.00 34.83 32.05 2r1x s MET 133 CO 0.24 0.56 -0.18 0.54 0.00 0.00 0.00 175.02 176.19 2r1x s VAL 134 N -1.52 1.39 -0.14 -6.03 0.11 0.47 -4.69 120.40 109.99 2r1x s VAL 134 Ca 0.32 -0.80 -0.02 0.00 -2.93 0.00 0.00 61.98 58.54 2r1x s VAL 134 Cb -0.12 -1.16 -0.02 0.00 -1.53 0.00 0.00 36.38 33.54 2r1x s VAL 134 CO 0.25 0.35 -0.08 -0.89 -3.33 0.00 0.00 175.10 171.40 2r1x s THR 135 N -0.47 3.55 0.37 5.04 2.01 -1.26 -1.08 115.64 123.79 2r1x s THR 135 Ca 0.06 -0.49 0.05 0.00 0.31 0.00 0.00 61.69 61.63 2r1x s THR 135 Cb -0.07 -2.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.85 2r1x s THR 135 CO -0.00 0.51 0.04 -0.76 -0.69 0.00 0.00 174.62 173.72 2r1x s LEU 136 N 0.27 2.50 0.35 4.42 1.43 0.50 -4.64 118.68 123.52 2r1x s LEU 136 Ca -0.06 -1.38 -0.17 0.00 -1.03 0.00 0.00 54.13 51.49 2r1x s LEU 136 Cb -0.15 -0.62 0.06 0.00 0.03 0.00 0.00 46.19 45.51 2r1x s LEU 136 CO 0.04 -0.55 0.84 -0.83 0.23 0.00 0.00 176.35 176.08 2r1x s GLY 137 N -3.60 0.34 -0.01 -3.19 0.00 -0.36 -0.87 107.32 99.63 2r1x s GLY 137 Ca 0.35 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.39 2r1x s GLY 137 CO 0.16 0.18 -0.04 0.00 0.00 0.00 0.00 173.10 173.41 2r1x s LEU 139 N 0.25 3.88 -0.43 0.00 2.96 0.13 -1.20 118.68 124.28 2r1x s LEU 139 Ca -0.02 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.79 2r1x s LEU 139 Cb -0.06 -2.07 0.11 0.00 0.50 0.00 0.00 46.19 44.68 2r1x s LEU 139 CO -0.00 -0.03 0.25 -0.69 -1.32 0.00 0.00 176.35 174.55 2r1x s VAL 140 N 1.64 3.56 -0.07 1.68 1.01 0.11 -0.65 120.40 127.68 2r1x s VAL 140 Ca 0.07 -1.98 0.04 0.00 0.00 0.00 0.00 61.98 60.11 2r1x s VAL 140 Cb -0.15 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 2r1x s VAL 140 CO 0.08 -0.72 -0.19 -0.75 0.00 0.00 0.00 175.10 173.52 2r1x s LYS 141 N 1.21 2.66 -0.48 2.72 2.20 0.75 -0.86 119.74 127.94 2r1x s LYS 141 Ca 0.07 -0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 54.87 2r1x s LYS 141 Cb -0.24 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2r1x s LYS 141 CO -0.03 0.44 0.41 0.41 -0.36 0.00 0.00 175.35 176.21 2r1x n GLY 142 N 2.82 0.22 3.64 5.54 0.00 0.18 -1.01 105.19 116.58 2r1x n GLY 142 Ca -0.17 -0.28 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 2r1x n GLY 142 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2r1x s TYR 143 N -3.13 2.64 -0.26 1.61 1.13 -0.35 -4.54 117.35 114.44 2r1x s TYR 143 Ca 0.08 -0.30 -0.25 0.00 -1.41 0.00 0.00 57.07 55.19 2r1x s TYR 143 Cb -0.03 -1.30 0.07 0.00 -1.10 0.00 0.00 41.96 39.60 2r1x s TYR 143 CO 0.28 0.56 0.74 0.12 -2.51 0.00 0.00 175.55 174.74 2r1x s PHE 144 N -2.39 -0.76 0.78 -3.49 5.36 -0.27 -0.10 117.98 117.10 2r1x s PHE 144 Ca 0.33 1.85 -0.10 0.00 -0.96 0.00 0.00 56.93 58.05 2r1x s PHE 144 Cb -0.05 0.28 0.17 0.00 -0.34 0.00 0.00 43.02 43.09 2r1x s PHE 144 CO 0.20 -0.38 1.06 -0.35 -1.46 0.00 0.00 175.22 174.29 2r1x n PRO 145 N 2.60 -0.81 -1.03 10.12 -0.04 -1.26 -0.59 135.00 144.00 2r1x n PRO 145 Ca -0.14 -1.91 -0.31 0.00 -0.04 0.00 0.00 63.50 61.10 2r1x n PRO 145 Cb 0.55 -1.00 0.13 0.00 -0.04 0.00 0.00 33.50 33.14 2r1x n PRO 145 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2r1x s GLU 146 N -5.27 1.54 0.56 0.54 0.41 -1.26 -4.78 118.70 110.44 2r1x s GLU 146 Ca 0.62 1.22 0.09 0.00 -0.41 0.00 0.00 54.97 56.50 2r1x s GLU 146 Cb -0.02 -1.81 0.08 0.00 -1.78 0.00 0.00 34.13 30.60 2r1x s GLU 146 CO 0.43 -2.16 0.77 -1.25 -0.49 0.00 0.00 175.26 172.55 2r1x s PRO 147 N -4.80 2.34 0.19 0.39 0.04 -1.26 -4.94 135.00 126.97 2r1x s PRO 147 Ca 0.64 -1.62 0.09 0.00 0.04 0.00 0.00 61.00 60.14 2r1x s PRO 147 Cb -0.19 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 31.66 2r1x s PRO 147 CO 0.57 -0.81 -0.18 0.14 0.04 0.00 0.00 177.00 176.76 2r1x s VAL 148 N -2.65 1.91 -0.04 -0.36 -7.23 -1.26 -4.23 120.40 106.54 2r1x s VAL 148 Ca 0.61 -2.08 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 2r1x s VAL 148 Cb -0.06 -1.98 -0.03 0.00 0.56 0.00 0.00 36.38 34.87 2r1x s VAL 148 CO 0.38 -0.41 -0.16 0.42 -0.31 0.00 0.00 175.10 175.02 2r1x s THR 149 N -2.38 2.89 -0.07 5.32 -4.23 -0.41 -4.98 115.64 111.78 2r1x s THR 149 Ca 0.20 -0.80 0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2r1x s THR 149 Cb -0.04 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.69 2r1x s THR 149 CO 0.08 0.58 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.93 2r1x s VAL 150 N -0.72 1.17 0.34 2.29 1.01 -1.26 -1.28 120.40 121.95 2r1x s VAL 150 Ca 0.11 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.65 2r1x s VAL 150 Cb -0.10 -1.08 -0.06 0.00 0.00 0.00 0.00 36.38 35.13 2r1x s VAL 150 CO 0.00 0.37 0.06 0.42 0.00 0.00 0.00 175.10 175.95 2r1x s THR 151 N 0.80 1.19 -0.08 3.92 -4.23 -0.30 -4.97 115.64 111.97 2r1x s THR 151 Ca -0.12 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.42 2r1x s THR 151 Cb -0.15 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 70.92 2r1x s THR 151 CO 0.02 0.00 -0.17 0.26 -0.54 0.00 0.00 174.62 174.19 2r1x s TRP 152 N -3.26 1.95 -1.39 3.99 0.52 -1.26 -0.29 118.94 119.19 2r1x s TRP 152 Ca 0.35 -0.78 -0.02 0.00 0.02 0.00 0.00 56.10 55.68 2r1x s TRP 152 Cb 0.08 -1.36 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 2r1x s TRP 152 CO 0.15 -0.35 0.41 0.09 0.02 0.00 0.00 176.95 177.28 2r1x n ASN 153 N 3.72 -0.61 -1.97 2.95 3.02 0.22 -1.68 115.26 120.90 2r1x n ASN 153 Ca -0.21 -1.04 -0.17 0.00 -0.03 0.00 0.00 54.58 53.13 2r1x n ASN 153 Cb 0.52 -2.93 -0.04 0.00 -0.61 0.00 0.00 39.78 36.72 2r1x n ASN 153 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2r1x n SER 154 N -2.94 -4.82 0.00 6.41 7.64 -1.26 -1.33 113.62 117.32 2r1x n SER 154 Ca -0.30 0.25 0.00 0.00 1.01 0.00 0.00 58.87 59.83 2r1x n SER 154 Cb 0.68 -4.18 0.00 0.00 -1.01 0.00 0.00 64.21 59.70 2r1x n SER 154 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2r1x n GLY 155 N -0.63 0.48 0.14 0.23 0.00 -0.68 -4.96 105.19 99.77 2r1x n GLY 155 Ca -0.19 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.76 2r1x n GLY 155 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2r1x h SER 156 N 0.00 0.24 -3.33 1.61 4.64 -1.13 -3.38 113.55 112.20 2r1x h SER 156 Ca 0.00 -0.18 -0.67 0.00 -0.47 0.00 0.00 61.79 60.47 2r1x h SER 156 Cb 0.00 -0.07 -0.17 0.00 -0.31 0.00 0.00 62.40 61.85 2r1x h SER 156 CO 0.00 0.94 0.08 -0.76 -0.87 0.00 0.00 176.83 176.21 2r1x s LEU 157 N -7.55 4.82 0.00 5.97 1.43 -1.06 -4.83 118.68 117.46 2r1x s LEU 157 Ca -0.03 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 2r1x s LEU 157 Cb 0.11 -2.52 0.00 0.00 0.03 0.00 0.00 46.19 43.81 2r1x s LEU 157 CO 0.82 -0.87 0.00 -1.54 0.23 0.00 0.00 176.35 174.99 2r1x n SER 158 N 6.23 3.73 -4.77 2.29 3.41 -1.26 -4.13 113.62 119.11 2r1x n SER 158 Ca -0.05 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.15 2r1x n SER 158 Cb 0.46 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.63 2r1x n SER 158 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2r1x s SER 159 N -3.09 6.84 -1.08 4.04 0.15 -1.26 -3.05 113.70 116.24 2r1x s SER 159 Ca 0.00 2.63 0.00 0.00 0.70 0.00 0.00 55.95 59.28 2r1x s SER 159 Cb 0.00 -2.65 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 2r1x s SER 159 CO 0.00 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.56 2r1x n GLY 160 N 0.88 1.16 3.79 9.45 0.00 -1.26 -4.78 105.19 114.44 2r1x n GLY 160 Ca -0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 2r1x n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2r1x s VAL 161 N -2.38 5.41 -0.19 1.61 1.01 -1.17 -1.36 120.40 123.32 2r1x s VAL 161 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.27 2r1x s VAL 161 Cb 0.00 -3.48 0.04 0.00 0.00 0.00 0.00 36.38 32.94 2r1x s VAL 161 CO 0.00 0.51 -0.12 -1.00 0.00 0.00 0.00 175.10 174.48 2r1x s HIS 162 N -0.21 2.50 -0.27 5.22 3.76 -0.01 -4.99 115.29 121.29 2r1x s HIS 162 Ca 0.13 -1.61 -0.07 0.00 -0.15 0.00 0.00 55.06 53.36 2r1x s HIS 162 Cb -0.12 -1.69 -0.01 0.00 1.11 0.00 0.00 32.58 31.87 2r1x s HIS 162 CO 0.02 -0.75 0.06 0.99 -0.85 0.00 0.00 174.74 174.21 2r1x s THR 163 N 1.37 4.00 0.07 1.30 2.01 -1.26 -0.02 115.64 123.10 2r1x s THR 163 Ca -0.00 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.21 2r1x s THR 163 Cb -0.16 -2.97 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 2r1x s THR 163 CO -0.09 0.21 0.89 -0.36 -0.69 0.00 0.00 174.62 174.58 2r1x s PHE 164 N 1.53 3.76 0.38 4.92 0.08 0.14 -4.99 117.98 123.81 2r1x s PHE 164 Ca 0.04 1.66 -0.27 0.00 0.12 0.00 0.00 56.93 58.48 2r1x s PHE 164 Cb -0.16 -2.98 -0.11 0.00 -0.57 0.00 0.00 43.02 39.20 2r1x s PHE 164 CO 0.02 0.19 1.34 -2.30 -0.10 0.00 0.00 175.22 174.37 2r1x n PRO 165 N 2.99 2.19 -1.77 0.24 -0.02 -1.26 -4.16 135.00 133.21 2r1x n PRO 165 Ca 0.01 0.77 -0.38 0.00 -2.02 0.00 0.00 63.50 61.89 2r1x n PRO 165 Cb 0.50 -2.44 0.06 0.00 -0.02 0.00 0.00 33.50 31.59 2r1x n PRO 165 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2r1x s ALA 166 N -1.14 2.58 -0.06 3.55 0.00 -1.26 -4.84 121.76 120.59 2r1x s ALA 166 Ca 0.57 1.27 0.03 0.00 0.00 0.00 0.00 51.96 53.83 2r1x s ALA 166 Cb -0.52 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.05 2r1x s ALA 166 CO 0.61 -1.49 -0.15 0.08 0.00 0.00 0.00 175.76 174.81 2r1x s VAL 167 N -1.36 1.32 -0.21 0.00 1.01 -0.66 -4.94 120.40 115.57 2r1x s VAL 167 Ca 0.78 -0.60 -0.22 0.00 0.00 0.00 0.00 61.98 61.94 2r1x s VAL 167 Cb -0.39 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2r1x s VAL 167 CO 0.43 0.39 0.68 -0.22 0.00 0.00 0.00 175.10 176.39 2r1x s LEU 168 N 0.48 4.13 -0.04 3.92 2.96 -1.26 -1.73 118.68 127.13 2r1x s LEU 168 Ca -0.13 0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 54.65 2r1x s LEU 168 Cb -0.15 -2.97 0.03 0.00 0.50 0.00 0.00 46.19 43.61 2r1x s LEU 168 CO 0.04 -0.34 0.08 -1.10 -1.32 0.00 0.00 176.35 173.72 2r1x s GLN 169 N 2.16 0.02 -1.39 1.98 -0.21 -0.46 -4.89 119.66 116.87 2r1x s GLN 169 Ca 0.30 0.27 -0.00 0.00 0.02 0.00 0.00 55.36 55.95 2r1x s GLN 169 Cb -0.16 -0.22 -0.00 0.00 1.00 0.00 0.00 33.01 33.63 2r1x s GLN 169 CO 0.10 -0.17 0.45 0.43 -2.12 0.00 0.00 175.29 173.99 2r1x n SER 170 N 4.20 -0.45 -0.23 5.90 7.64 -1.26 -2.44 113.62 126.98 2r1x n SER 170 Ca -0.27 -0.98 -0.03 0.00 1.01 0.00 0.00 58.87 58.59 2r1x n SER 170 Cb 0.51 -3.18 -0.01 0.00 -1.01 0.00 0.00 64.21 60.51 2r1x n SER 170 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2r1x n ASP 171 N -2.99 -4.95 -4.04 6.43 10.43 -1.26 -4.98 116.55 115.19 2r1x n ASP 171 Ca -0.31 0.08 -0.14 0.00 2.57 0.00 0.00 54.79 56.99 2r1x n ASP 171 Cb 0.69 -2.72 -0.12 0.00 1.84 0.00 0.00 41.12 40.81 2r1x n ASP 171 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2r1x s LEU 172 N -0.69 2.19 0.17 0.64 1.43 -1.02 -4.87 118.68 116.52 2r1x s LEU 172 Ca 0.00 -0.43 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 2r1x s LEU 172 Cb 0.00 -0.21 -0.07 0.00 0.03 0.00 0.00 46.19 45.94 2r1x s LEU 172 CO 0.00 -0.13 0.49 -0.31 0.23 0.00 0.00 176.35 176.63 2r1x s TYR 173 N -1.04 3.49 -0.02 0.29 2.02 0.85 -1.35 117.35 121.60 2r1x s TYR 173 Ca -0.06 0.82 0.01 0.00 -0.37 0.00 0.00 57.07 57.47 2r1x s TYR 173 Cb -0.08 -2.21 0.01 0.00 -0.40 0.00 0.00 41.96 39.28 2r1x s TYR 173 CO 0.00 0.38 -0.04 0.99 -1.57 0.00 0.00 175.55 175.31 2r1x s THR 174 N -1.65 0.39 0.21 -0.71 2.01 -0.71 -0.64 115.64 114.54 2r1x s THR 174 Ca 0.42 -0.15 0.01 0.00 0.31 0.00 0.00 61.69 62.28 2r1x s THR 174 Cb -0.13 -0.37 -0.05 0.00 0.01 0.00 0.00 72.50 71.97 2r1x s THR 174 CO 0.21 0.14 0.06 -1.48 -0.69 0.00 0.00 174.62 172.86 2r1x s LEU 175 N 0.27 1.78 0.12 4.42 0.05 -0.04 -1.65 118.68 123.64 2r1x s LEU 175 Ca -0.03 -1.29 0.00 0.00 0.05 0.00 0.00 54.13 52.87 2r1x s LEU 175 Cb -0.06 0.05 -0.04 0.00 -2.05 0.00 0.00 46.19 44.08 2r1x s LEU 175 CO -0.00 -0.68 0.00 -0.94 -0.55 0.00 0.00 176.35 174.18 2r1x s SER 176 N -3.22 0.79 -0.03 1.48 1.04 -1.26 0.09 113.70 112.58 2r1x s SER 176 Ca 0.32 -1.12 -0.01 0.00 0.48 0.00 0.00 55.95 55.61 2r1x s SER 176 Cb 0.07 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.40 2r1x s SER 176 CO 0.09 -0.61 0.07 -0.55 0.98 0.00 0.00 173.24 173.22 2r1x s SER 177 N -3.07 -0.02 0.11 7.02 0.15 -0.34 -0.68 113.70 116.87 2r1x s SER 177 Ca 0.19 0.14 0.07 0.00 0.70 0.00 0.00 55.95 57.05 2r1x s SER 177 Cb 0.07 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 2r1x s SER 177 CO -0.01 -0.10 -0.11 -0.94 1.20 0.00 0.00 173.24 173.29 2r1x s SER 178 N 0.75 4.34 -0.01 5.45 1.04 0.97 -1.22 113.70 125.03 2r1x s SER 178 Ca -0.06 -0.41 0.03 0.00 0.48 0.00 0.00 55.95 55.98 2r1x s SER 178 Cb -0.08 -0.80 -0.01 0.00 0.10 0.00 0.00 66.02 65.23 2r1x s SER 178 CO -0.03 0.17 -0.08 0.54 0.98 0.00 0.00 173.24 174.82 2r1x s VAL 179 N -1.23 0.67 -0.14 5.02 0.11 -0.05 -0.83 120.40 123.95 2r1x s VAL 179 Ca 0.21 -0.36 0.02 0.00 -2.93 0.00 0.00 61.98 58.92 2r1x s VAL 179 Cb -0.11 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2r1x s VAL 179 CO 0.13 0.19 -0.19 -0.89 -3.33 0.00 0.00 175.10 171.01 2r1x s THR 180 N -0.16 2.31 0.14 5.04 2.01 -0.47 -0.37 115.64 124.15 2r1x s THR 180 Ca 0.03 -0.90 0.03 0.00 0.31 0.00 0.00 61.69 61.17 2r1x s THR 180 Cb -0.04 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2r1x s THR 180 CO -0.00 0.54 -0.08 0.68 -0.69 0.00 0.00 174.62 175.07 2r1x s VAL 181 N 0.77 1.00 0.29 3.82 -7.23 -0.24 -4.76 120.40 114.04 2r1x s VAL 181 Ca -0.07 -2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 57.77 2r1x s VAL 181 Cb -0.16 -1.87 -0.12 0.00 0.56 0.00 0.00 36.38 34.79 2r1x s VAL 181 CO -0.00 -0.72 1.56 -2.65 -0.31 0.00 0.00 175.10 172.97 2r1x n PRO 182 N -0.18 2.60 0.28 4.82 -0.02 -1.26 -0.39 135.00 140.85 2r1x n PRO 182 Ca -0.10 0.92 0.16 0.00 -2.02 0.00 0.00 63.50 62.46 2r1x n PRO 182 Cb 0.61 -2.68 0.91 0.00 -0.02 0.00 0.00 33.50 32.32 2r1x n PRO 182 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2r1x h SER 183 N 4.53 0.00 0.64 2.55 4.64 -1.09 -1.04 113.55 123.79 2r1x h SER 183 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2r1x h SER 183 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2r1x h SER 183 CO 0.77 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 177.50 2r1x h SER 184 N 0.00 0.00 0.00 4.97 4.64 -1.90 -3.20 113.55 118.06 2r1x h SER 184 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2r1x h SER 184 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2r1x h SER 184 CO -0.00 0.00 -0.89 0.35 -0.87 0.00 0.00 176.83 175.42 2r1x n THR 185 N -2.54 0.00 -4.07 2.95 -2.24 -0.39 -4.70 114.28 103.29 2r1x n THR 185 Ca 0.01 -0.12 -0.17 0.00 -2.27 0.00 0.00 64.05 61.50 2r1x n THR 185 Cb 0.21 0.93 -0.15 0.00 -2.10 0.00 0.00 70.33 69.21 2r1x n THR 185 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2r1x s TRP 186 N -2.67 0.46 -1.39 4.78 -0.00 -1.21 -0.37 118.94 118.53 2r1x s TRP 186 Ca 0.05 -0.08 0.09 0.00 -0.00 0.00 0.00 56.10 56.16 2r1x s TRP 186 Cb 0.13 -0.41 0.36 0.00 -0.00 0.00 0.00 33.47 33.54 2r1x s TRP 186 CO 0.71 -0.09 1.20 -0.35 -0.00 0.00 0.00 176.95 178.42 2r1x n PRO 187 N 3.63 2.32 -0.30 5.86 -0.04 -1.26 -4.80 135.00 140.40 2r1x n PRO 187 Ca -0.21 -1.42 -0.03 0.00 -0.04 0.00 0.00 63.50 61.80 2r1x n PRO 187 Cb 0.54 -1.55 0.11 0.00 -0.04 0.00 0.00 33.50 32.56 2r1x n PRO 187 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2r1x h SER 188 N 2.06 1.08 -3.21 3.54 4.64 -1.84 -3.41 113.55 116.40 2r1x h SER 188 Ca 0.00 -0.10 -0.65 0.00 -0.47 0.00 0.00 61.79 60.57 2r1x h SER 188 Cb 0.82 -0.27 -0.10 0.00 -0.31 0.00 0.00 62.40 62.53 2r1x h SER 188 CO 0.11 0.87 -0.61 -1.61 -0.87 0.00 0.00 176.83 174.72 2r1x s GLU 189 N -5.77 2.87 0.27 4.77 2.02 0.50 -5.10 118.70 118.27 2r1x s GLU 189 Ca -0.12 -0.65 -0.29 0.00 0.02 0.00 0.00 54.97 53.92 2r1x s GLU 189 Cb 0.17 -2.73 -0.09 0.00 0.10 0.00 0.00 34.13 31.57 2r1x s GLU 189 CO 0.82 0.59 1.13 -0.08 0.02 0.00 0.00 175.26 177.74 2r1x s THR 190 N -1.29 3.44 -0.11 3.63 -1.32 -1.26 -4.44 115.64 114.28 2r1x s THR 190 Ca 0.26 1.41 0.01 0.00 -1.21 0.00 0.00 61.69 62.16 2r1x s THR 190 Cb -0.12 -3.90 0.02 0.00 -1.51 0.00 0.00 72.50 66.99 2r1x s THR 190 CO 0.18 0.32 -0.13 -0.69 -2.21 0.00 0.00 174.62 172.10 2r1x s VAL 191 N -1.01 1.32 -0.04 5.08 1.01 -1.26 -4.99 120.40 120.50 2r1x s VAL 191 Ca 0.46 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2r1x s VAL 191 Cb -0.33 -1.24 0.02 0.00 0.00 0.00 0.00 36.38 34.83 2r1x s VAL 191 CO 0.41 0.41 -0.05 -0.89 0.00 0.00 0.00 175.10 174.98 2r1x s THR 192 N 1.19 0.57 -0.01 3.92 2.01 -1.26 -0.25 115.64 121.80 2r1x s THR 192 Ca -0.03 -0.15 -0.16 0.00 0.31 0.00 0.00 61.69 61.66 2r1x s THR 192 Cb -0.14 -0.59 -0.06 0.00 0.01 0.00 0.00 72.50 71.73 2r1x s THR 192 CO -0.04 0.23 0.43 0.00 -0.69 0.00 0.00 174.62 174.56 2r1x s ASN 194 N -0.80 4.38 -0.07 0.00 0.01 0.60 -0.76 114.94 118.29 2r1x s ASN 194 Ca 0.24 -0.66 0.05 0.00 -0.71 0.00 0.00 52.86 51.78 2r1x s ASN 194 Cb -0.17 -1.72 -0.01 0.00 0.41 0.00 0.00 41.25 39.77 2r1x s ASN 194 CO 0.13 -0.09 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.70 2r1x s VAL 195 N 1.41 2.13 -0.01 1.60 1.01 0.45 -1.15 120.40 125.84 2r1x s VAL 195 Ca 0.03 -1.03 0.06 0.00 0.00 0.00 0.00 61.98 61.03 2r1x s VAL 195 Cb -0.16 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 2r1x s VAL 195 CO -0.03 0.57 -0.18 0.00 0.00 0.00 0.00 175.10 175.46 2r1x s ALA 196 N -0.06 1.48 -0.36 5.51 0.00 -0.40 -0.80 121.76 127.13 2r1x s ALA 196 Ca -0.06 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2r1x s ALA 196 Cb -0.15 -0.36 0.11 0.00 0.00 0.00 0.00 23.12 22.72 2r1x s ALA 196 CO 0.05 0.36 0.12 -1.58 0.00 0.00 0.00 175.76 174.70 2r1x s HIS 197 N -0.47 2.51 0.45 0.00 2.46 -0.51 -1.29 115.29 118.44 2r1x s HIS 197 Ca 0.07 -2.36 0.11 0.00 0.47 0.00 0.00 55.06 53.35 2r1x s HIS 197 Cb -0.07 -2.21 1.01 0.00 -0.13 0.00 0.00 32.58 31.18 2r1x s HIS 197 CO -0.00 -0.88 2.08 -1.35 -2.47 0.00 0.00 174.74 172.12 2r1x h PRO 198 N 7.60 0.30 -0.55 2.88 0.11 -1.83 -1.45 132.00 139.06 2r1x h PRO 198 Ca -0.08 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 66.04 2r1x h PRO 198 Cb 0.99 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.01 2r1x h PRO 198 CO 0.50 0.22 0.37 0.00 -0.21 0.00 0.00 178.00 178.88 2r1x h ALA 199 N 1.83 1.71 -0.39 -0.75 0.00 -1.90 -1.43 119.26 118.33 2r1x h ALA 199 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2r1x h ALA 199 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2r1x h ALA 199 CO -0.01 0.23 0.00 -1.13 0.00 0.00 0.00 179.25 178.34 2r1x n SER 200 N -4.47 3.49 -2.55 0.00 3.41 -0.84 -4.96 113.62 107.70 2r1x n SER 200 Ca 0.06 -2.32 -0.09 0.00 -0.26 0.00 0.00 58.87 56.26 2r1x n SER 200 Cb 0.13 -0.37 -0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2r1x n SER 200 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2r1x n SER 201 N 0.40 -2.75 -4.73 4.04 7.64 -0.54 -4.91 113.62 112.77 2r1x n SER 201 Ca 0.17 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.89 2r1x n SER 201 Cb 0.62 -2.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.40 2r1x n SER 201 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2r1x s THR 202 N -2.41 3.93 -0.09 0.44 2.01 -0.66 -4.91 115.64 113.94 2r1x s THR 202 Ca 0.04 1.51 0.00 0.00 0.31 0.00 0.00 61.69 63.55 2r1x s THR 202 Cb -0.02 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.55 2r1x s THR 202 CO 0.05 0.19 -0.07 -0.54 -0.69 0.00 0.00 174.62 173.56 2r1x s LYS 203 N 0.35 1.31 -0.03 4.92 1.02 -1.26 -1.42 119.74 124.62 2r1x s LYS 203 Ca 0.54 -0.20 0.01 0.00 0.02 0.00 0.00 55.97 56.34 2r1x s LYS 203 Cb -0.30 -1.34 0.01 0.00 -0.52 0.00 0.00 37.83 35.69 2r1x s LYS 203 CO 0.32 -0.19 -0.04 0.08 -0.92 0.00 0.00 175.35 174.60 2r1x s VAL 204 N 1.43 0.46 -0.17 3.17 1.01 0.02 -5.01 120.40 121.31 2r1x s VAL 204 Ca -0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.83 2r1x s VAL 204 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.79 2r1x s VAL 204 CO -0.04 0.18 -0.15 -1.81 0.00 0.00 0.00 175.10 173.28 2r1x s ASP 205 N 0.58 3.62 -0.27 3.32 1.01 -1.26 -0.41 116.67 123.26 2r1x s ASP 205 Ca -0.07 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 52.69 2r1x s ASP 205 Cb -0.11 -1.57 0.05 0.00 1.01 0.00 0.00 42.92 42.31 2r1x s ASP 205 CO -0.00 0.05 -0.07 -0.75 0.21 0.00 0.00 175.17 174.61 2r1x s LYS 206 N 1.05 2.36 0.06 8.23 2.47 0.06 -4.97 119.74 128.99 2r1x s LYS 206 Ca -0.01 -1.29 -0.30 0.00 -1.56 0.00 0.00 55.97 52.81 2r1x s LYS 206 Cb -0.15 -3.00 -0.05 0.00 -1.46 0.00 0.00 37.83 33.17 2r1x s LYS 206 CO -0.04 -0.58 1.12 0.21 0.16 0.00 0.00 175.35 176.23 2r1x s LYS 207 N 1.17 4.49 -0.47 4.03 2.20 -1.26 -1.44 119.74 128.46 2r1x s LYS 207 Ca -0.07 1.66 -0.27 0.00 -0.36 0.00 0.00 55.97 56.94 2r1x s LYS 207 Cb -0.20 -3.37 0.03 0.00 -1.51 0.00 0.00 37.83 32.78 2r1x s LYS 207 CO -0.04 -0.16 1.01 0.42 -0.36 0.00 0.00 175.35 176.22 2r1x s ILE 208 N 0.90 4.37 -0.15 5.43 -1.09 0.65 -4.95 121.20 126.36 2r1x s ILE 208 Ca 0.56 0.94 -0.06 0.00 -2.23 0.00 0.00 60.65 59.86 2r1x s ILE 208 Cb -0.27 -4.50 -0.04 0.00 -1.58 0.00 0.00 42.46 36.07 2r1x s ILE 208 CO 0.29 -0.90 0.07 0.54 -1.23 0.00 0.00 174.94 173.71 2r1x s VAL 209 N 4.02 4.86 -2.00 2.92 0.11 -1.26 -4.62 120.40 124.44 2r1x s VAL 209 Ca 0.41 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.49 2r1x s VAL 209 Cb -0.09 -3.15 0.12 0.00 -1.53 0.00 0.00 36.38 31.73 2r1x s VAL 209 CO 0.28 0.52 0.72 -0.81 -3.33 0.00 0.00 175.10 172.49