#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d4r s GLU 3 N 0.00 0.01 0.04 0.54 2.56 -1.26 -1.88 118.70 118.71 2d4r s GLU 3 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 54.97 55.40 2d4r s GLU 3 Cb 0.00 -0.29 -0.02 0.00 2.00 0.00 0.00 34.13 35.82 2d4r s GLU 3 CO 0.00 -0.24 -0.12 0.08 -0.56 0.00 0.00 175.26 174.42 2d4r s VAL 4 N 1.68 0.93 -0.11 3.70 1.01 -0.08 -5.02 120.40 122.52 2d4r s VAL 4 Ca -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2d4r s VAL 4 Cb -0.12 -0.87 0.03 0.00 0.00 0.00 0.00 36.38 35.42 2d4r s VAL 4 CO -0.05 -0.07 0.28 0.00 0.00 0.00 0.00 175.10 175.26 2d4r s ARG 5 N -1.16 0.31 0.10 2.72 1.70 -1.26 -0.19 118.95 121.16 2d4r s ARG 5 Ca -0.01 0.42 0.10 0.00 -0.47 0.00 0.00 55.73 55.78 2d4r s ARG 5 Cb -0.08 0.11 -0.04 0.00 -0.57 0.00 0.00 34.95 34.37 2d4r s ARG 5 CO 0.01 -0.06 -0.26 0.00 -1.08 0.00 0.00 175.30 173.91 2d4r s ALA 6 N 0.36 2.36 -0.02 7.88 0.00 -0.04 -4.98 121.76 127.33 2d4r s ALA 6 Ca -0.02 -1.39 0.02 0.00 0.00 0.00 0.00 51.96 50.57 2d4r s ALA 6 Cb -0.03 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.65 2d4r s ALA 6 CO -0.02 0.54 -0.06 -2.00 0.00 0.00 0.00 175.76 174.23 2d4r s GLU 7 N -1.76 0.65 -0.16 0.00 2.12 -1.26 -0.83 118.70 117.45 2d4r s GLU 7 Ca 0.13 -0.18 -0.12 0.00 0.36 0.00 0.00 54.97 55.16 2d4r s GLU 7 Cb -0.10 -0.65 0.05 0.00 0.26 0.00 0.00 34.13 33.69 2d4r s GLU 7 CO 0.05 0.06 0.42 0.50 -0.54 0.00 0.00 175.26 175.74 2d4r s ARG 8 N 0.27 0.44 -0.14 4.30 6.06 -0.38 -4.99 118.95 124.52 2d4r s ARG 8 Ca -0.03 0.70 -0.18 0.00 -2.50 0.00 0.00 55.73 53.72 2d4r s ARG 8 Cb -0.08 0.10 -0.04 0.00 0.06 0.00 0.00 34.95 34.99 2d4r s ARG 8 CO -0.00 -0.11 0.47 -0.47 -2.50 0.00 0.00 175.30 172.68 2d4r s TYR 9 N 0.85 3.48 -0.11 5.12 6.14 -1.26 -0.37 117.35 131.20 2d4r s TYR 9 Ca -0.05 0.84 0.03 0.00 0.64 0.00 0.00 57.07 58.53 2d4r s TYR 9 Cb -0.06 -2.55 0.01 0.00 0.42 0.00 0.00 41.96 39.77 2d4r s TYR 9 CO -0.07 0.12 -0.21 0.42 0.64 0.00 0.00 175.55 176.45 2d4r s ILE 10 N 0.80 1.92 -1.18 3.14 1.01 0.13 -4.99 121.20 122.03 2d4r s ILE 10 Ca 0.25 -0.92 -0.20 0.00 0.00 0.00 0.00 60.65 59.77 2d4r s ILE 10 Cb -0.15 -1.69 -0.04 0.00 0.01 0.00 0.00 42.46 40.59 2d4r s ILE 10 CO 0.10 0.53 1.90 -0.81 0.00 0.00 0.00 174.94 176.65 2d4r n PRO 11 N 3.83 2.19 -3.63 2.79 -0.04 -1.26 -0.97 135.00 137.91 2d4r n PRO 11 Ca -0.20 -2.64 -0.05 0.00 -0.04 0.00 0.00 63.50 60.57 2d4r n PRO 11 Cb 0.52 -3.50 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 2d4r n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2d4r s ALA 12 N 7.38 -2.08 0.35 0.55 0.00 -1.26 -4.99 121.76 121.71 2d4r s ALA 12 Ca 0.60 1.76 -0.27 0.00 0.00 0.00 0.00 51.96 54.05 2d4r s ALA 12 Cb 0.04 -1.37 -0.12 0.00 0.00 0.00 0.00 23.12 21.67 2d4r s ALA 12 CO 0.10 -0.22 1.24 -0.35 0.00 0.00 0.00 175.76 176.53 2d4r n PRO 13 N 1.05 1.97 -0.34 0.00 -0.04 -1.25 -2.52 135.00 133.87 2d4r n PRO 13 Ca -0.07 0.69 0.22 0.00 -0.04 0.00 0.00 63.50 64.30 2d4r n PRO 13 Cb 0.58 -2.27 0.45 0.00 -0.04 0.00 0.00 33.50 32.22 2d4r n PRO 13 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 2d4r h PRO 14 N 2.37 0.42 -0.54 0.54 0.13 -1.86 0.30 132.00 133.36 2d4r h PRO 14 Ca -0.45 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 2d4r h PRO 14 Cb 1.29 -0.09 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2d4r h PRO 14 CO 0.62 0.28 0.16 0.93 -0.23 0.00 0.00 178.00 179.75 2d4r h GLU 15 N 0.43 0.80 -0.04 0.86 4.39 -1.94 0.18 114.58 119.27 2d4r h GLU 15 Ca 0.69 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 60.16 2d4r h GLU 15 Cb 1.51 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2d4r h GLU 15 CO -0.51 0.70 -0.30 -0.09 -1.16 0.00 0.00 179.01 177.66 2d4r h ARG 16 N 0.78 0.27 -0.67 2.33 2.43 -1.32 -2.04 114.38 116.16 2d4r h ARG 16 Ca 0.18 -0.24 -0.03 0.00 -0.81 0.00 0.00 59.98 59.08 2d4r h ARG 16 Cb 0.24 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2d4r h ARG 16 CO -0.01 0.90 0.29 0.28 -1.51 0.00 0.00 179.97 179.93 2d4r h VAL 17 N -0.29 1.23 -0.32 0.20 2.07 -1.17 -1.73 116.25 116.25 2d4r h VAL 17 Ca -0.03 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.80 2d4r h VAL 17 Cb 0.98 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 2d4r h VAL 17 CO 0.06 0.28 0.21 0.22 0.02 0.00 0.00 177.57 178.36 2d4r h TYR 18 N 0.93 0.39 -0.36 1.57 5.03 -0.66 -2.05 116.97 121.82 2d4r h TYR 18 Ca 0.22 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.45 2d4r h TYR 18 Cb 0.17 -0.13 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 2d4r h TYR 18 CO 0.01 0.24 -0.18 0.00 -1.32 0.00 0.00 178.16 176.91 2d4r h ARG 19 N 0.42 0.67 0.00 1.82 2.47 -1.05 -2.05 114.38 116.66 2d4r h ARG 19 Ca 0.12 -0.24 -0.09 0.00 -1.26 0.00 0.00 59.98 58.51 2d4r h ARG 19 Cb -0.04 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.23 2d4r h ARG 19 CO -0.04 0.82 -0.44 -0.07 0.56 0.00 0.00 179.97 180.80 2d4r h LEU 20 N 0.60 0.00 -0.36 3.04 3.38 -1.20 -2.53 115.31 118.24 2d4r h LEU 20 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2d4r h LEU 20 Cb 0.65 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2d4r h LEU 20 CO 0.05 0.44 -0.32 0.00 0.09 0.00 0.00 178.44 178.69 2d4r h ALA 21 N 1.56 0.84 0.00 1.53 0.00 -1.03 -3.28 119.26 118.88 2d4r h ALA 21 Ca -0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 54.91 54.42 2d4r h ALA 21 Cb 1.07 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 2d4r h ALA 21 CO 0.06 0.41 -0.92 -0.22 0.00 0.00 0.00 179.25 178.57 2d4r h LYS 22 N 0.00 0.00 -5.06 0.00 3.64 -0.95 -3.35 116.57 110.85 2d4r h LYS 22 Ca -0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 2d4r h LYS 22 Cb 1.11 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 2d4r h LYS 22 CO 0.04 0.92 2.59 -3.47 -2.27 0.00 0.00 179.45 177.26 2d4r n ASP 23 N -3.33 4.44 -0.30 4.20 2.03 -1.08 -4.80 116.55 117.70 2d4r n ASP 23 Ca 0.00 -2.88 0.01 0.00 0.52 0.00 0.00 54.79 52.44 2d4r n ASP 23 Cb 0.91 -1.70 0.20 0.00 -0.72 0.00 0.00 41.12 39.80 2d4r n ASP 23 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2d4r h LEU 24 N 11.58 0.97 -1.01 -2.67 3.38 -1.83 -0.59 115.31 125.14 2d4r h LEU 24 Ca 0.50 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.36 2d4r h LEU 24 Cb 0.77 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2d4r h LEU 24 CO 1.64 0.68 -0.35 -0.33 0.09 0.00 0.00 178.44 180.17 2d4r h GLU 25 N 1.13 0.27 0.00 1.13 5.08 -1.87 0.43 114.58 120.76 2d4r h GLU 25 Ca 0.35 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 2d4r h GLU 25 Cb -0.02 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 2d4r h GLU 25 CO -0.10 0.59 -0.31 0.78 -1.00 0.00 0.00 179.01 178.97 2d4r h GLY 26 N 1.12 0.00 1.79 -3.84 0.00 -1.55 -3.20 103.07 97.39 2d4r h GLY 26 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.12 2d4r h GLY 26 CO 0.06 0.00 -1.14 -2.00 0.00 0.00 0.00 176.54 173.45 2d4r h LEU 27 N 0.00 0.19 -0.77 3.11 5.85 -0.21 -3.39 115.31 120.09 2d4r h LEU 27 Ca -0.00 -0.21 0.18 0.00 0.84 0.00 0.00 57.88 58.68 2d4r h LEU 27 Cb 1.03 -0.06 -0.13 0.00 0.37 0.00 0.00 40.66 41.86 2d4r h LEU 27 CO 0.04 1.17 0.02 0.50 -0.34 0.00 0.00 178.44 179.82 2d4r h LYS 28 N 0.03 0.10 0.00 1.25 1.63 -0.95 -0.47 116.57 118.17 2d4r h LYS 28 Ca -0.08 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2d4r h LYS 28 Cb 1.87 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.48 2d4r h LYS 28 CO 0.16 0.07 0.10 -1.35 -3.45 0.00 0.00 179.45 174.98 2d4r h PRO 29 N 0.11 0.00 -0.10 1.90 0.11 -1.77 -1.05 132.00 131.20 2d4r h PRO 29 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 2d4r h PRO 29 Cb 0.75 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2d4r h PRO 29 CO -0.67 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.78 2d4r n TYR 30 N -2.77 0.10 -3.33 0.65 4.02 -0.19 -4.77 117.16 110.87 2d4r n TYR 30 Ca -0.02 -0.05 -0.46 0.00 -0.01 0.00 0.00 57.90 57.36 2d4r n TYR 30 Cb 0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.43 2d4r n TYR 30 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2d4r s LEU 31 N -1.90 6.18 0.41 7.72 1.02 -0.40 -4.15 118.68 127.56 2d4r s LEU 31 Ca 0.31 -1.85 0.27 0.00 0.02 0.00 0.00 54.13 52.88 2d4r s LEU 31 Cb 0.21 -2.19 0.80 0.00 0.02 0.00 0.00 46.19 45.02 2d4r s LEU 31 CO 0.31 -0.83 1.76 0.50 0.02 0.00 0.00 176.35 178.11 2d4r h LYS 32 N 8.79 0.00 -0.01 1.70 3.11 -1.86 -2.26 116.57 126.04 2d4r h LYS 32 Ca -0.27 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2d4r h LYS 32 Cb 1.09 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.32 2d4r h LYS 32 CO 1.01 0.00 -0.34 0.39 -2.81 0.00 0.00 179.45 177.70 2d4r n GLU 33 N -2.84 0.96 -3.59 1.90 1.02 -1.26 -4.82 120.64 112.01 2d4r n GLU 33 Ca 0.03 -0.67 -0.36 0.00 -0.02 0.00 0.00 57.16 56.14 2d4r n GLU 33 Cb 0.41 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.26 2d4r n GLU 33 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2d4r s VAL 34 N -2.50 5.33 -0.10 2.62 1.01 -0.85 -0.76 120.40 125.15 2d4r s VAL 34 Ca 0.22 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.59 2d4r s VAL 34 Cb 0.19 -3.57 -0.25 0.00 0.00 0.00 0.00 36.38 32.75 2d4r s VAL 34 CO 0.54 0.36 0.43 1.21 0.00 0.00 0.00 175.10 177.64 2d4r n GLU 35 N 3.99 0.71 -3.70 2.72 0.00 0.40 -4.90 120.64 119.85 2d4r n GLU 35 Ca -0.13 0.26 -0.11 0.00 0.00 0.00 0.00 57.16 57.18 2d4r n GLU 35 Cb 0.52 -1.72 -0.11 0.00 0.00 0.00 0.00 31.44 30.13 2d4r n GLU 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 2d4r s SER 36 N -6.63 -0.49 -0.14 4.31 0.15 -1.05 -5.00 113.70 104.85 2d4r s SER 36 Ca -0.16 0.87 -0.04 0.00 0.70 0.00 0.00 55.95 57.31 2d4r s SER 36 Cb 0.07 0.77 0.05 0.00 -1.71 0.00 0.00 66.02 65.21 2d4r s SER 36 CO 0.78 -0.18 0.09 -0.22 1.20 0.00 0.00 173.24 174.91 2d4r s LEU 37 N 1.15 0.29 -0.10 3.45 0.20 -1.26 -0.69 118.68 121.72 2d4r s LEU 37 Ca -0.08 -0.46 0.03 0.00 0.69 0.00 0.00 54.13 54.32 2d4r s LEU 37 Cb -0.07 -0.21 0.00 0.00 -0.43 0.00 0.00 46.19 45.48 2d4r s LEU 37 CO -0.10 -0.33 -0.21 -1.61 -0.29 0.00 0.00 176.35 173.81 2d4r s GLU 38 N 2.15 2.81 -0.35 1.98 2.02 -0.77 -4.78 118.70 121.76 2d4r s GLU 38 Ca 0.03 -0.79 -0.29 0.00 0.02 0.00 0.00 54.97 53.94 2d4r s GLU 38 Cb -0.15 -2.18 0.02 0.00 0.10 0.00 0.00 34.13 31.92 2d4r s GLU 38 CO -0.08 0.10 1.08 0.08 0.02 0.00 0.00 175.26 176.46 2d4r s VAL 39 N 0.53 4.47 -0.15 2.63 1.01 -1.26 -0.12 120.40 127.49 2d4r s VAL 39 Ca -0.15 1.63 0.06 0.00 0.00 0.00 0.00 61.98 63.52 2d4r s VAL 39 Cb -0.17 -4.44 -0.23 0.00 0.00 0.00 0.00 36.38 31.54 2d4r s VAL 39 CO 0.05 -0.56 0.22 0.52 0.00 0.00 0.00 175.10 175.34 2d4r n VAL 40 N 6.02 1.58 -4.04 2.92 0.31 0.17 -4.92 118.33 120.36 2d4r n VAL 40 Ca 0.12 -0.72 -0.12 0.00 -0.01 0.00 0.00 64.34 63.61 2d4r n VAL 40 Cb 0.47 -1.19 -0.11 0.00 -0.91 0.00 0.00 33.84 32.10 2d4r n VAL 40 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2d4r s ALA 41 N -2.54 0.45 -0.18 3.52 0.00 -0.86 -4.97 121.76 117.18 2d4r s ALA 41 Ca -0.18 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 50.99 2d4r s ALA 41 Cb 0.07 0.08 0.08 0.00 0.00 0.00 0.00 23.12 23.35 2d4r s ALA 41 CO 0.76 -0.06 0.40 -0.98 0.00 0.00 0.00 175.76 175.87 2d4r s ARG 42 N -1.57 0.31 -0.29 0.00 1.70 -1.26 -0.62 118.95 117.23 2d4r s ARG 42 Ca -0.12 0.95 -0.13 0.00 -0.47 0.00 0.00 55.73 55.96 2d4r s ARG 42 Cb -0.10 0.21 0.10 0.00 -0.57 0.00 0.00 34.95 34.60 2d4r s ARG 42 CO -0.00 -0.24 0.67 -1.83 -1.08 0.00 0.00 175.30 172.82 2d4r s GLU 43 N 2.33 0.64 7.75 3.89 1.03 -0.85 -5.04 118.70 128.45 2d4r s GLU 43 Ca -0.03 1.32 0.00 0.00 0.03 0.00 0.00 54.97 56.29 2d4r s GLU 43 Cb -0.11 0.47 0.00 0.00 -0.80 0.00 0.00 34.13 33.69 2d4r s GLU 43 CO -0.12 -0.17 0.00 0.41 -1.33 0.00 0.00 175.26 174.04 2d4r n GLY 44 N 4.83 2.96 1.30 -3.83 0.00 -1.26 -2.12 105.19 107.07 2d4r n GLY 44 Ca -0.16 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.78 2d4r n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d4r n ALA 45 N 10.40 2.54 -2.36 4.61 0.00 -1.26 -4.97 120.51 129.47 2d4r n ALA 45 Ca 0.00 -1.38 -0.29 0.00 0.00 0.00 0.00 53.44 51.76 2d4r n ALA 45 Cb 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 2d4r n ALA 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2d4r s ARG 46 N -1.26 1.93 0.07 0.00 3.52 -0.90 0.24 118.95 122.54 2d4r s ARG 46 Ca 0.46 -0.87 0.09 0.00 -0.13 0.00 0.00 55.73 55.27 2d4r s ARG 46 Cb 0.26 -1.88 -0.03 0.00 -1.56 0.00 0.00 34.95 31.73 2d4r s ARG 46 CO 0.28 0.51 -0.23 0.99 -0.81 0.00 0.00 175.30 176.04 2d4r s THR 47 N -0.58 2.44 -0.11 4.11 2.01 -0.15 -2.01 115.64 121.35 2d4r s THR 47 Ca 0.09 -1.41 0.03 0.00 0.31 0.00 0.00 61.69 60.71 2d4r s THR 47 Cb -0.09 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 70.39 2d4r s THR 47 CO -0.01 0.28 -0.21 -0.60 -0.69 0.00 0.00 174.62 173.39 2d4r s ARG 48 N -1.55 3.14 0.07 4.92 3.52 0.21 -1.44 118.95 127.81 2d4r s ARG 48 Ca 0.14 -0.83 0.03 0.00 -0.13 0.00 0.00 55.73 54.93 2d4r s ARG 48 Cb -0.10 -2.39 -0.03 0.00 -1.56 0.00 0.00 34.95 30.87 2d4r s ARG 48 CO 0.05 0.19 -0.09 -1.54 -0.81 0.00 0.00 175.30 173.10 2d4r s SER 49 N 0.34 1.14 -0.28 -2.12 1.04 0.63 0.41 113.70 114.86 2d4r s SER 49 Ca -0.17 -0.74 -0.04 0.00 0.48 0.00 0.00 55.95 55.48 2d4r s SER 49 Cb -0.17 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.00 2d4r s SER 49 CO 0.08 -0.27 0.02 -0.60 0.98 0.00 0.00 173.24 173.44 2d4r s ARG 50 N -2.46 2.89 -0.10 4.02 3.52 0.82 0.06 118.95 127.71 2d4r s ARG 50 Ca -0.00 -0.97 -0.06 0.00 -0.13 0.00 0.00 55.73 54.58 2d4r s ARG 50 Cb -0.04 -3.21 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 2d4r s ARG 50 CO -0.01 -0.46 0.13 -1.58 -0.81 0.00 0.00 175.30 172.57 2d4r s TRP 51 N 1.40 3.53 -0.16 5.12 0.52 0.68 -1.84 118.94 128.18 2d4r s TRP 51 Ca 0.01 0.45 -0.00 0.00 0.02 0.00 0.00 56.10 56.58 2d4r s TRP 51 Cb -0.17 -1.90 0.04 0.00 -1.15 0.00 0.00 33.47 30.29 2d4r s TRP 51 CO -0.01 0.69 -0.06 0.08 0.02 0.00 0.00 176.95 177.67 2d4r s VAL 52 N -1.06 1.14 0.24 4.03 1.01 0.14 -1.76 120.40 124.14 2d4r s VAL 52 Ca 0.17 -0.61 0.09 0.00 0.00 0.00 0.00 61.98 61.63 2d4r s VAL 52 Cb -0.12 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2d4r s VAL 52 CO 0.06 0.17 -0.02 0.00 0.00 0.00 0.00 175.10 175.31 2d4r s ALA 53 N 1.62 3.12 -0.13 5.51 0.00 -0.20 -0.45 121.76 131.23 2d4r s ALA 53 Ca 0.01 -1.59 0.01 0.00 0.00 0.00 0.00 51.96 50.40 2d4r s ALA 53 Cb -0.15 -0.79 -0.01 0.00 0.00 0.00 0.00 23.12 22.18 2d4r s ALA 53 CO -0.08 0.33 -0.17 0.08 0.00 0.00 0.00 175.76 175.92 2d4r s VAL 54 N -2.14 2.61 -0.37 0.00 1.01 0.06 -0.52 120.40 121.05 2d4r s VAL 54 Ca 0.30 -0.81 0.13 0.00 0.00 0.00 0.00 61.98 61.60 2d4r s VAL 54 Cb -0.07 -2.07 0.43 0.00 0.00 0.00 0.00 36.38 34.67 2d4r s VAL 54 CO 0.19 0.53 0.98 0.00 0.00 0.00 0.00 175.10 176.80 2d4r n ALA 55 N 3.74 3.85 0.00 5.51 0.00 -1.26 -4.87 120.51 127.49 2d4r n ALA 55 Ca -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 53.44 49.68 2d4r n ALA 55 Cb 0.52 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.16 2d4r n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2d4r n GLY 57 N -0.17 0.00 3.91 0.00 0.00 -1.26 -4.71 105.19 102.96 2d4r n GLY 57 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2d4r n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d4r s LYS 58 N -1.95 3.55 0.10 1.61 -0.14 -1.26 -5.10 119.74 116.55 2d4r s LYS 58 Ca 0.00 -0.24 -0.09 0.00 -1.36 0.00 0.00 55.97 54.29 2d4r s LYS 58 Cb 0.00 -2.87 -0.06 0.00 -1.68 0.00 0.00 37.83 33.22 2d4r s LYS 58 CO 0.00 0.46 0.40 -1.59 -0.76 0.00 0.00 175.35 173.86 2d4r s LYS 59 N -2.92 3.72 -0.15 1.68 -2.85 -1.26 -4.62 119.74 113.35 2d4r s LYS 59 Ca 0.39 0.11 0.01 0.00 -1.00 0.00 0.00 55.97 55.49 2d4r s LYS 59 Cb -0.12 -2.94 0.00 0.00 -2.06 0.00 0.00 37.83 32.72 2d4r s LYS 59 CO 0.27 0.52 -0.18 0.08 0.10 0.00 0.00 175.35 176.14 2d4r s VAL 60 N -1.49 2.43 -0.06 1.79 1.01 0.32 -4.98 120.40 119.42 2d4r s VAL 60 Ca 0.36 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.54 2d4r s VAL 60 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2d4r s VAL 60 CO 0.20 0.53 -0.22 -0.60 0.00 0.00 0.00 175.10 175.01 2d4r s ARG 61 N 0.80 2.56 0.16 2.72 3.00 -1.26 -1.03 118.95 125.90 2d4r s ARG 61 Ca -0.06 -0.84 -0.17 0.00 -1.00 0.00 0.00 55.73 53.65 2d4r s ARG 61 Cb -0.15 -2.24 0.03 0.00 0.00 0.00 0.00 34.95 32.59 2d4r s ARG 61 CO -0.00 0.44 0.47 1.67 0.00 0.00 0.00 175.30 177.88 2d4r s TRP 62 N -0.30 -0.17 -0.11 5.12 -2.14 -0.72 -0.01 118.94 120.61 2d4r s TRP 62 Ca 0.01 -0.15 -0.05 0.00 2.66 0.00 0.00 56.10 58.57 2d4r s TRP 62 Cb -0.13 0.34 -0.04 0.00 -3.10 0.00 0.00 33.47 30.54 2d4r s TRP 62 CO 0.02 -0.82 0.10 -0.51 -2.66 0.00 0.00 176.95 173.08 2d4r s LEU 63 N -2.84 4.13 -0.05 -4.66 1.02 -0.20 -0.23 118.68 115.85 2d4r s LEU 63 Ca 0.06 0.36 0.03 0.00 0.02 0.00 0.00 54.13 54.61 2d4r s LEU 63 Cb 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 46.19 44.22 2d4r s LEU 63 CO -0.07 0.40 -0.14 -0.70 0.02 0.00 0.00 176.35 175.85 2d4r s GLU 64 N -1.01 1.64 -0.22 1.70 2.12 0.11 -3.82 118.70 119.22 2d4r s GLU 64 Ca 0.15 -0.49 -0.09 0.00 0.36 0.00 0.00 54.97 54.90 2d4r s GLU 64 Cb -0.12 -1.40 -0.04 0.00 0.26 0.00 0.00 34.13 32.83 2d4r s GLU 64 CO 0.04 0.14 0.10 -1.21 -0.54 0.00 0.00 175.26 173.79 2d4r s GLU 65 N 0.31 3.91 -0.10 4.30 0.41 0.72 -0.27 118.70 127.99 2d4r s GLU 65 Ca -0.08 -0.36 0.03 0.00 -0.41 0.00 0.00 54.97 54.15 2d4r s GLU 65 Cb -0.13 -3.37 -0.01 0.00 -1.78 0.00 0.00 34.13 28.84 2d4r s GLU 65 CO 0.03 0.06 -0.19 -1.83 -0.49 0.00 0.00 175.26 172.83 2d4r s GLU 66 N 1.00 3.05 -0.28 1.61 1.03 -0.52 -0.73 118.70 123.85 2d4r s GLU 66 Ca 0.05 -0.79 -0.10 0.00 0.03 0.00 0.00 54.97 54.16 2d4r s GLU 66 Cb -0.14 -2.42 -0.04 0.00 -0.80 0.00 0.00 34.13 30.74 2d4r s GLU 66 CO 0.03 0.27 0.16 -2.00 -1.33 0.00 0.00 175.26 172.39 2d4r s GLU 67 N 0.17 3.79 -0.22 -4.83 2.12 0.26 -0.98 118.70 119.02 2d4r s GLU 67 Ca -0.11 -0.42 -0.12 0.00 0.36 0.00 0.00 54.97 54.69 2d4r s GLU 67 Cb -0.16 -3.59 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 2d4r s GLU 67 CO 0.06 -0.23 0.21 -1.58 -0.54 0.00 0.00 175.26 173.18 2d4r s TRP 68 N 1.71 3.36 -0.65 5.30 0.52 0.14 -0.83 118.94 128.48 2d4r s TRP 68 Ca 0.07 0.36 -0.10 0.00 0.02 0.00 0.00 56.10 56.44 2d4r s TRP 68 Cb -0.16 -2.30 0.17 0.00 -1.15 0.00 0.00 33.47 30.03 2d4r s TRP 68 CO 0.09 0.12 0.55 0.34 0.02 0.00 0.00 176.95 178.07 2d4r s ASP 69 N 0.84 6.04 0.26 2.95 -1.08 0.41 -4.79 116.67 121.30 2d4r s ASP 69 Ca 0.11 -2.44 0.02 0.00 -0.52 0.00 0.00 52.55 49.71 2d4r s ASP 69 Cb -0.13 -2.07 0.33 0.00 -1.46 0.00 0.00 42.92 39.59 2d4r s ASP 69 CO 0.04 -0.58 1.65 0.44 0.52 0.00 0.00 175.17 177.24 2d4r h ASP 70 N 7.88 0.47 -0.10 -0.34 3.32 -1.97 -0.99 116.42 124.69 2d4r h ASP 70 Ca -0.05 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.81 2d4r h ASP 70 Cb 1.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2d4r h ASP 70 CO 0.80 0.80 0.06 -0.33 -1.72 0.00 0.00 179.24 178.86 2d4r h GLU 71 N 0.38 0.13 -0.53 3.56 5.08 -1.94 -3.22 114.58 118.03 2d4r h GLU 71 Ca 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2d4r h GLU 71 Cb 0.82 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2d4r h GLU 71 CO 0.07 0.08 0.00 0.09 -1.00 0.00 0.00 179.01 178.25 2d4r n ASN 72 N -5.02 3.52 -3.67 1.42 3.02 -1.19 -4.98 115.26 108.36 2d4r n ASN 72 Ca -0.05 -1.97 -0.22 0.00 -0.03 0.00 0.00 54.58 52.30 2d4r n ASN 72 Cb 0.03 -0.35 0.05 0.00 -0.61 0.00 0.00 39.78 38.89 2d4r n ASN 72 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2d4r n LEU 73 N 1.30 -3.24 -4.21 3.41 4.77 -0.40 -4.83 117.00 113.80 2d4r n LEU 73 Ca 0.19 -0.74 -0.12 0.00 -0.03 0.00 0.00 56.01 55.31 2d4r n LEU 73 Cb 0.56 -2.78 -0.10 0.00 -2.33 0.00 0.00 43.42 38.76 2d4r n LEU 73 CO 0.14 0.44 -0.33 0.00 -1.33 0.00 0.00 177.39 176.31 2d4r s ARG 74 N -5.99 1.02 0.07 3.23 1.70 -1.04 -2.49 118.95 115.45 2d4r s ARG 74 Ca 0.18 -1.48 -0.00 0.00 -0.47 0.00 0.00 55.73 53.96 2d4r s ARG 74 Cb -0.09 -0.13 -0.04 0.00 -0.57 0.00 0.00 34.95 34.12 2d4r s ARG 74 CO 0.79 -0.14 -0.03 0.54 -1.08 0.00 0.00 175.30 175.37 2d4r s ASN 75 N -3.12 0.63 0.03 -2.89 4.22 0.07 -0.45 114.94 113.43 2d4r s ASN 75 Ca 0.22 -1.01 0.03 0.00 -2.14 0.00 0.00 52.86 49.95 2d4r s ASN 75 Cb 0.06 0.18 -0.02 0.00 1.28 0.00 0.00 41.25 42.76 2d4r s ASN 75 CO 0.02 -0.58 -0.09 0.00 -2.04 0.00 0.00 177.10 174.41 2d4r s ARG 76 N -3.91 0.61 0.03 3.55 1.70 -0.01 -2.67 118.95 118.25 2d4r s ARG 76 Ca 0.09 -0.57 0.01 0.00 -0.47 0.00 0.00 55.73 54.79 2d4r s ARG 76 Cb 0.07 -0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 33.91 2d4r s ARG 76 CO -0.08 0.12 -0.05 -0.59 -1.08 0.00 0.00 175.30 173.62 2d4r s PHE 77 N -0.81 0.45 0.06 5.89 -0.71 -0.60 0.92 117.98 123.18 2d4r s PHE 77 Ca -0.03 -0.54 -0.12 0.00 -1.04 0.00 0.00 56.93 55.20 2d4r s PHE 77 Cb -0.07 -0.29 0.01 0.00 -1.21 0.00 0.00 43.02 41.47 2d4r s PHE 77 CO 0.00 -0.15 0.27 -0.59 -1.34 0.00 0.00 175.22 173.41 2d4r s PHE 78 N -1.55 -0.03 -0.29 3.49 -0.71 0.09 -1.63 117.98 117.36 2d4r s PHE 78 Ca -0.12 -0.21 -0.08 0.00 -1.04 0.00 0.00 56.93 55.48 2d4r s PHE 78 Cb -0.09 0.06 -0.00 0.00 -1.21 0.00 0.00 43.02 41.77 2d4r s PHE 78 CO -0.01 -0.52 0.10 0.45 -1.34 0.00 0.00 175.22 173.90 2d4r s SER 79 N -2.32 5.23 0.39 1.98 0.15 0.19 -0.20 113.70 119.12 2d4r s SER 79 Ca -0.02 -0.56 0.22 0.00 0.70 0.00 0.00 55.95 56.28 2d4r s SER 79 Cb 0.01 -1.92 0.26 0.00 -1.71 0.00 0.00 66.02 62.66 2d4r s SER 79 CO -0.06 -0.16 1.51 1.55 1.20 0.00 0.00 173.24 177.27 2d4r h PRO 80 N 8.27 0.00 -2.35 5.44 0.13 -1.91 -3.42 132.00 138.15 2d4r h PRO 80 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2d4r h PRO 80 Cb 1.14 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.11 2d4r h PRO 80 CO 0.60 0.06 0.30 -1.83 -0.23 0.00 0.00 178.00 176.91 2d4r s GLU 81 N -3.19 1.03 0.00 0.86 -1.05 -1.26 -5.09 118.70 110.00 2d4r s GLU 81 Ca 0.06 -0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 2d4r s GLU 81 Cb 0.06 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.23 2d4r s GLU 81 CO 0.70 -0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.92 2d4r n GLY 82 N 0.21 0.95 0.21 -3.83 0.00 -1.26 -1.03 105.19 100.44 2d4r n GLY 82 Ca -0.15 -1.86 0.11 0.00 0.00 0.00 0.00 46.02 44.12 2d4r n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2d4r h ASP 83 N 0.00 0.00 -3.28 1.61 3.45 -0.83 -3.45 116.42 113.93 2d4r h ASP 83 Ca 0.00 0.00 -0.57 0.00 0.43 0.00 0.00 57.03 56.89 2d4r h ASP 83 Cb 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 38.73 2d4r h ASP 83 CO 0.00 0.09 -0.04 -0.36 -1.57 0.00 0.00 179.24 177.36 2d4r s PHE 84 N -3.23 3.74 0.29 4.55 0.40 -1.26 -4.77 117.98 117.71 2d4r s PHE 84 Ca 0.06 1.22 0.06 0.00 -0.60 0.00 0.00 56.93 57.67 2d4r s PHE 84 Cb 0.06 -2.47 0.44 0.00 0.51 0.00 0.00 43.02 41.56 2d4r s PHE 84 CO 0.67 0.53 1.69 -0.44 0.70 0.00 0.00 175.22 178.37 2d4r h ASP 85 N 4.21 0.25 -3.41 1.36 3.32 -1.02 -3.44 116.42 117.69 2d4r h ASP 85 Ca -0.49 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 56.30 2d4r h ASP 85 Cb 1.21 -0.07 -0.27 0.00 0.22 0.00 0.00 39.33 40.41 2d4r h ASP 85 CO 0.64 0.65 -0.37 -0.60 -1.72 0.00 0.00 179.24 177.84 2d4r s ARG 86 N -4.12 0.32 -0.29 3.56 3.52 -1.06 -4.91 118.95 115.98 2d4r s ARG 86 Ca -0.04 0.62 0.03 0.00 -0.13 0.00 0.00 55.73 56.21 2d4r s ARG 86 Cb 0.13 -0.01 0.18 0.00 -1.56 0.00 0.00 34.95 33.68 2d4r s ARG 86 CO 0.77 -0.14 0.48 -0.47 -0.81 0.00 0.00 175.30 175.14 2d4r s TYR 87 N 1.08 -1.34 0.11 5.12 5.04 -1.25 -0.00 117.35 126.11 2d4r s TYR 87 Ca -0.07 0.63 -0.19 0.00 -2.44 0.00 0.00 57.07 55.00 2d4r s TYR 87 Cb -0.08 0.03 0.05 0.00 0.35 0.00 0.00 41.96 42.31 2d4r s TYR 87 CO -0.08 -1.02 0.47 -1.83 -1.34 0.00 0.00 175.55 171.75 2d4r s GLU 88 N 2.66 1.10 0.00 4.97 -1.05 -0.45 -0.63 118.70 125.29 2d4r s GLU 88 Ca 0.10 -0.54 0.00 0.00 -0.15 0.00 0.00 54.97 54.38 2d4r s GLU 88 Cb -0.12 0.49 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 2d4r s GLU 88 CO -0.28 -0.44 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2d4r n GLY 89 N -0.09 -0.58 2.93 -3.83 0.00 -0.64 -0.11 105.19 102.86 2d4r n GLY 89 Ca -0.17 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 2d4r n GLY 89 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2d4r s THR 90 N -3.51 0.03 -0.20 2.61 -4.23 -0.49 -1.55 115.64 108.30 2d4r s THR 90 Ca 0.00 -0.24 -0.06 0.00 -1.18 0.00 0.00 61.69 60.20 2d4r s THR 90 Cb 0.00 -0.12 -0.03 0.00 1.34 0.00 0.00 72.50 73.69 2d4r s THR 90 CO 0.00 -0.13 0.03 0.26 -0.54 0.00 0.00 174.62 174.24 2d4r s TRP 91 N -0.39 3.12 0.08 3.99 0.52 -1.09 -1.44 118.94 123.72 2d4r s TRP 91 Ca -0.04 -0.23 0.08 0.00 0.02 0.00 0.00 56.10 55.93 2d4r s TRP 91 Cb -0.03 -2.09 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2d4r s TRP 91 CO -0.00 -0.09 -0.21 0.14 0.02 0.00 0.00 176.95 176.81 2d4r s VAL 92 N 0.80 1.74 -0.25 4.03 -7.23 -0.23 -0.75 120.40 118.51 2d4r s VAL 92 Ca 0.02 -1.43 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2d4r s VAL 92 Cb -0.14 -1.55 0.07 0.00 0.56 0.00 0.00 36.38 35.32 2d4r s VAL 92 CO 0.02 0.06 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.47 2d4r s PHE 93 N -1.01 2.59 -0.15 2.82 0.40 -1.04 -1.08 117.98 120.51 2d4r s PHE 93 Ca 0.07 -1.93 -0.05 0.00 -0.60 0.00 0.00 56.93 54.42 2d4r s PHE 93 Cb -0.10 -1.74 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 2d4r s PHE 93 CO 0.03 -0.81 0.02 -0.51 0.70 0.00 0.00 175.22 174.65 2d4r s LEU 94 N 1.33 3.59 0.25 -0.37 1.43 -0.29 -4.91 118.68 119.71 2d4r s LEU 94 Ca -0.04 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2d4r s LEU 94 Cb -0.19 -1.87 -0.10 0.00 0.03 0.00 0.00 46.19 44.06 2d4r s LEU 94 CO -0.07 0.23 1.46 -2.16 0.23 0.00 0.00 176.35 176.04 2d4r s PRO 95 N 0.00 4.25 -0.29 1.29 0.04 -1.26 0.18 135.00 139.21 2d4r s PRO 95 Ca 0.04 2.33 -0.03 0.00 0.04 0.00 0.00 61.00 63.38 2d4r s PRO 95 Cb -0.13 -3.10 0.11 0.00 0.04 0.00 0.00 34.50 31.42 2d4r s PRO 95 CO 0.02 -0.45 0.18 -1.21 0.04 0.00 0.00 177.00 175.58 2d4r s GLU 96 N -0.30 0.23 5.99 4.56 0.41 0.22 -4.76 118.70 125.05 2d4r s GLU 96 Ca 0.60 -0.39 0.00 0.00 -0.41 0.00 0.00 54.97 54.77 2d4r s GLU 96 Cb -0.42 -1.02 0.00 0.00 -1.78 0.00 0.00 34.13 30.90 2d4r s GLU 96 CO 0.43 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.60 2d4r n GLY 97 N 5.27 3.63 0.16 -1.39 0.00 -1.26 -1.16 105.19 110.44 2d4r n GLY 97 Ca -0.05 0.09 0.04 0.00 0.00 0.00 0.00 46.02 46.10 2d4r n GLY 97 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2d4r h GLU 98 N 0.00 0.00 0.00 1.61 5.08 -1.97 -3.48 114.58 115.83 2d4r h GLU 98 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2d4r h GLU 98 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2d4r h GLU 98 CO 0.00 0.46 0.00 0.41 -1.00 0.00 0.00 179.01 178.88 2d4r n GLY 99 N 0.75 5.04 3.15 -3.84 0.00 -0.31 -3.92 105.19 106.05 2d4r n GLY 99 Ca 0.01 -1.79 -0.28 0.00 0.00 0.00 0.00 46.02 43.96 2d4r n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d4r s THR 100 N 2.24 1.60 -0.48 2.61 2.01 -0.14 0.71 115.64 124.19 2d4r s THR 100 Ca 0.00 -0.79 -0.17 0.00 0.31 0.00 0.00 61.69 61.04 2d4r s THR 100 Cb 0.00 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.18 2d4r s THR 100 CO 0.00 0.46 0.50 -0.60 -0.69 0.00 0.00 174.62 174.29 2d4r s ARG 101 N 0.21 3.06 -0.11 4.92 6.06 0.13 0.21 118.95 133.43 2d4r s ARG 101 Ca -0.10 -1.04 -0.20 0.00 -2.50 0.00 0.00 55.73 51.90 2d4r s ARG 101 Cb -0.14 -4.08 -0.04 0.00 0.06 0.00 0.00 34.95 30.74 2d4r s ARG 101 CO 0.04 -1.07 0.54 0.08 -2.50 0.00 0.00 175.30 172.39 2d4r s VAL 102 N 2.15 5.14 -0.15 7.11 1.01 0.50 -1.14 120.40 135.03 2d4r s VAL 102 Ca 0.10 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.18 2d4r s VAL 102 Cb -0.21 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.31 2d4r s VAL 102 CO 0.10 0.29 -0.21 -0.69 0.00 0.00 0.00 175.10 174.59 2d4r s VAL 103 N 0.77 2.03 -0.22 2.92 1.01 -0.24 -1.25 120.40 125.43 2d4r s VAL 103 Ca 0.29 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2d4r s VAL 103 Cb -0.16 -1.81 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2d4r s VAL 103 CO 0.12 0.54 -0.14 -0.22 0.00 0.00 0.00 175.10 175.41 2d4r s LEU 104 N 0.96 2.78 -0.13 3.92 0.20 -0.01 -1.06 118.68 125.34 2d4r s LEU 104 Ca -0.03 -0.90 0.01 0.00 0.69 0.00 0.00 54.13 53.90 2d4r s LEU 104 Cb -0.15 -1.55 -0.01 0.00 -0.43 0.00 0.00 46.19 44.05 2d4r s LEU 104 CO -0.05 -0.08 -0.16 -0.89 -0.29 0.00 0.00 176.35 174.87 2d4r s THR 105 N 1.25 2.74 -0.16 3.68 2.01 -0.52 -0.86 115.64 123.79 2d4r s THR 105 Ca 0.00 -0.77 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2d4r s THR 105 Cb -0.16 -2.13 0.04 0.00 0.01 0.00 0.00 72.50 70.26 2d4r s THR 105 CO -0.08 0.53 -0.03 -0.22 -0.69 0.00 0.00 174.62 174.12 2d4r s LEU 106 N 0.43 1.41 -0.24 4.42 2.96 0.74 -1.40 118.68 127.00 2d4r s LEU 106 Ca -0.12 -0.60 -0.10 0.00 -0.22 0.00 0.00 54.13 53.09 2d4r s LEU 106 Cb -0.16 -0.80 -0.05 0.00 0.50 0.00 0.00 46.19 45.68 2d4r s LEU 106 CO 0.05 -0.20 0.15 -0.89 -1.32 0.00 0.00 176.35 174.14 2d4r s THR 107 N 1.71 5.27 0.11 3.68 2.01 0.84 -0.90 115.64 128.36 2d4r s THR 107 Ca 0.01 0.15 0.05 0.00 0.31 0.00 0.00 61.69 62.21 2d4r s THR 107 Cb -0.15 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 2d4r s THR 107 CO -0.07 0.34 -0.12 -0.72 -0.69 0.00 0.00 174.62 173.36 2d4r s TYR 108 N 1.10 1.21 -0.04 4.92 -0.85 -0.79 -1.35 117.35 121.55 2d4r s TYR 108 Ca 0.07 -0.61 -0.00 0.00 -0.52 0.00 0.00 57.07 56.01 2d4r s TYR 108 Cb -0.14 -0.65 0.03 0.00 0.38 0.00 0.00 41.96 41.58 2d4r s TYR 108 CO 0.05 0.07 -0.00 -1.21 -1.52 0.00 0.00 175.55 172.93 2d4r s GLU 109 N -2.77 0.44 -0.28 -3.49 2.02 1.00 -1.83 118.70 113.79 2d4r s GLU 109 Ca 0.07 0.08 0.01 0.00 0.02 0.00 0.00 54.97 55.16 2d4r s GLU 109 Cb -0.04 -0.68 0.08 0.00 0.10 0.00 0.00 34.13 33.59 2d4r s GLU 109 CO 0.01 -0.19 0.01 -1.17 0.02 0.00 0.00 175.26 173.94 2d4r s LEU 110 N 1.37 3.18 -0.05 1.80 0.20 -1.26 -0.38 118.68 123.54 2d4r s LEU 110 Ca -0.05 -1.57 -0.30 0.00 0.69 0.00 0.00 54.13 52.91 2d4r s LEU 110 Cb -0.13 -1.26 -0.03 0.00 -0.43 0.00 0.00 46.19 44.34 2d4r s LEU 110 CO -0.02 -0.31 1.15 0.42 -0.29 0.00 0.00 176.35 177.29 2d4r s THR 111 N 1.29 4.37 -0.18 3.68 -4.23 -1.26 -4.94 115.64 114.37 2d4r s THR 111 Ca 0.02 1.69 0.01 0.00 -1.18 0.00 0.00 61.69 62.23 2d4r s THR 111 Cb -0.19 -4.08 0.02 0.00 1.34 0.00 0.00 72.50 69.59 2d4r s THR 111 CO -0.11 0.02 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.17 2d4r s ILE 112 N 2.03 2.00 0.88 2.99 1.01 -1.26 -5.05 121.20 123.80 2d4r s ILE 112 Ca 0.54 -0.94 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 2d4r s ILE 112 Cb -0.24 -1.83 0.13 0.00 0.01 0.00 0.00 42.46 40.53 2d4r s ILE 112 CO 0.22 0.49 1.13 -2.84 0.00 0.00 0.00 174.94 173.94 2d4r s PRO 113 N 1.31 1.27 0.00 2.79 0.02 -1.26 0.10 135.00 139.23 2d4r s PRO 113 Ca 0.04 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.53 2d4r s PRO 113 Cb -0.13 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.62 2d4r s PRO 113 CO -0.12 -2.43 0.00 -0.89 -0.33 0.00 0.00 177.00 173.23 2d4r n ILE 114 N -4.09 0.00 0.34 2.83 5.41 -1.26 -4.11 119.36 118.48 2d4r n ILE 114 Ca 0.11 0.00 0.08 0.00 1.00 0.00 0.00 62.75 63.94 2d4r n ILE 114 Cb 0.52 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.34 2d4r n ILE 114 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2d4r n PHE 115 N 0.00 0.00 0.00 1.39 3.72 -1.21 -5.03 117.46 116.33 2d4r n PHE 115 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2d4r n PHE 115 Cb 0.00 -0.20 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 2d4r n PHE 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2d4r n GLY 116 N 1.48 2.89 0.72 1.37 0.00 0.29 0.78 105.19 112.72 2d4r n GLY 116 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2d4r n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d4r n GLY 117 N 0.00 1.06 0.11 -0.02 0.00 -1.26 -4.11 105.19 100.96 2d4r n GLY 117 Ca 0.00 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 45.81 2d4r n GLY 117 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2d4r n LEU 118 N 0.25 0.50 -0.74 0.99 4.77 0.23 -1.37 117.00 121.63 2d4r n LEU 118 Ca 0.09 0.65 0.07 0.00 -0.03 0.00 0.00 56.01 56.80 2d4r n LEU 118 Cb 0.39 -0.62 0.23 0.00 -2.33 0.00 0.00 43.42 41.08 2d4r n LEU 118 CO 0.09 -0.61 0.67 0.18 -1.33 0.00 0.00 177.39 176.39 2d4r n LEU 119 N -2.08 3.57 0.11 2.23 4.77 -1.26 -4.80 117.00 119.53 2d4r n LEU 119 Ca 0.01 -3.14 -0.12 0.00 -0.03 0.00 0.00 56.01 52.73 2d4r n LEU 119 Cb 0.16 -0.53 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 2d4r n LEU 119 CO 0.15 0.76 0.73 -0.09 -1.33 0.00 0.00 177.39 177.61 2d4r h ARG 120 N 1.30 -0.37 -0.62 3.23 2.43 -1.52 -0.85 114.38 117.99 2d4r h ARG 120 Ca 0.03 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.25 2d4r h ARG 120 Cb 1.37 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.97 2d4r h ARG 120 CO 0.19 -0.25 0.41 0.87 -1.51 0.00 0.00 179.97 179.68 2d4r h LYS 121 N -0.38 0.71 -0.16 0.20 6.56 -1.87 0.18 116.57 121.81 2d4r h LYS 121 Ca 0.02 -0.04 -0.08 0.00 -1.06 0.00 0.00 60.65 59.49 2d4r h LYS 121 Cb 0.40 -0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 31.90 2d4r h LYS 121 CO -0.10 0.47 -0.22 1.25 -2.06 0.00 0.00 179.45 178.78 2d4r h LEU 122 N 0.73 0.48 -0.68 2.94 5.85 -1.84 -1.89 115.31 120.89 2d4r h LEU 122 Ca 0.25 -0.51 0.09 0.00 0.84 0.00 0.00 57.88 58.54 2d4r h LEU 122 Cb 0.07 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 40.90 2d4r h LEU 122 CO -0.07 0.90 0.34 0.58 -0.34 0.00 0.00 178.44 179.85 2d4r h VAL 123 N 0.07 0.86 0.02 1.05 2.07 0.06 -1.81 116.25 118.57 2d4r h VAL 123 Ca 0.02 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 67.36 2d4r h VAL 123 Cb 0.79 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.74 2d4r h VAL 123 CO 0.05 0.11 -0.18 1.56 0.02 0.00 0.00 177.57 179.12 2d4r h GLN 124 N 0.58 -0.30 -1.00 1.57 4.20 -0.56 -1.49 115.11 118.11 2d4r h GLN 124 Ca 0.33 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.24 2d4r h GLN 124 Cb 0.34 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 28.09 2d4r h GLN 124 CO -0.26 -0.20 0.62 -0.22 -0.67 0.00 0.00 178.83 178.10 2d4r h LYS 125 N -0.31 0.79 -1.07 1.46 3.64 -0.90 0.12 116.57 120.30 2d4r h LYS 125 Ca 0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2d4r h LYS 125 Cb 0.37 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2d4r h LYS 125 CO -0.16 0.53 0.00 1.28 -2.27 0.00 0.00 179.45 178.82 2d4r n LEU 126 N -4.71 1.11 0.00 5.20 4.77 -0.56 -2.13 117.00 120.67 2d4r n LEU 126 Ca 0.22 -0.55 0.00 0.00 -0.03 0.00 0.00 56.01 55.65 2d4r n LEU 126 Cb 0.52 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 2d4r n LEU 126 CO 0.23 0.20 0.00 0.00 -1.33 0.00 0.00 177.39 176.50 2d4r n GLN 128 N 0.53 0.00 0.20 3.23 1.13 0.42 -1.15 117.38 121.74 2d4r n GLN 128 Ca 0.00 0.00 0.05 0.00 -1.94 0.00 0.00 57.00 55.11 2d4r n GLN 128 Cb 0.20 0.00 0.43 0.00 0.11 0.00 0.00 30.24 30.99 2d4r n GLN 128 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 2d4r h GLU 129 N 0.00 0.00 0.40 -1.09 5.08 -1.67 -1.15 114.58 116.15 2d4r h GLU 129 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2d4r h GLU 129 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2d4r h GLU 129 CO 0.00 0.30 -0.26 -0.97 -1.00 0.00 0.00 179.01 177.08 2d4r h ASN 130 N 0.00 -0.67 -0.66 1.42 -0.00 -1.41 -1.07 115.58 113.18 2d4r h ASN 130 Ca -0.00 0.04 -0.01 0.00 -0.00 0.00 0.00 56.30 56.32 2d4r h ASN 130 Cb 0.57 0.20 -0.03 0.00 -0.00 0.00 0.00 38.32 39.06 2d4r h ASN 130 CO 0.04 -0.39 0.36 -0.37 -0.00 0.00 0.00 177.43 177.07 2d4r h VAL 131 N -0.63 1.21 -0.34 2.57 -1.51 -1.81 -1.19 116.25 114.55 2d4r h VAL 131 Ca -0.05 -0.52 0.01 0.00 -1.23 0.00 0.00 66.70 64.91 2d4r h VAL 131 Cb 0.51 0.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.00 2d4r h VAL 131 CO 0.04 0.23 0.21 -0.33 -1.23 0.00 0.00 177.57 176.49 2d4r h GLU 132 N 0.90 0.41 -0.16 5.19 5.08 -1.28 -1.96 114.58 122.76 2d4r h GLU 132 Ca 0.23 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 2d4r h GLU 132 Cb 0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2d4r h GLU 132 CO -0.04 0.27 -0.06 1.03 -1.00 0.00 0.00 179.01 179.21 2d4r h SER 133 N 0.42 0.22 -0.47 1.42 0.87 -0.81 -1.14 113.55 114.06 2d4r h SER 133 Ca 0.13 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 2d4r h SER 133 Cb -0.02 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 2d4r h SER 133 CO -0.05 0.32 0.11 -0.07 -0.53 0.00 0.00 176.83 176.61 2d4r h LEU 134 N 0.23 0.72 -0.48 2.23 3.38 -0.48 0.10 115.31 121.01 2d4r h LEU 134 Ca 0.05 -0.24 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 2d4r h LEU 134 Cb 0.27 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2d4r h LEU 134 CO 0.01 0.77 -0.26 -0.07 0.09 0.00 0.00 178.44 178.99 2d4r h LEU 135 N 0.64 1.00 -0.31 1.67 3.38 -1.09 0.21 115.31 120.81 2d4r h LEU 135 Ca 0.15 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2d4r h LEU 135 Cb 0.34 -0.28 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 2d4r h LEU 135 CO 0.00 1.20 -0.36 0.50 0.09 0.00 0.00 178.44 179.87 2d4r h LYS 136 N 0.83 -0.31 -0.81 1.13 1.63 -0.97 -0.45 116.57 117.61 2d4r h LYS 136 Ca 0.10 0.02 0.06 0.00 -0.85 0.00 0.00 60.65 59.97 2d4r h LYS 136 Cb 0.84 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.48 2d4r h LYS 136 CO 0.07 -0.21 0.50 0.78 -3.45 0.00 0.00 179.45 177.15 2d4r h GLY 137 N -0.33 1.21 0.94 5.01 0.00 -0.24 -1.29 103.07 108.38 2d4r h GLY 137 Ca 0.14 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 2d4r h GLY 137 CO -0.49 0.26 0.07 -2.00 0.00 0.00 0.00 176.54 174.38 2d4r h LEU 138 N 0.93 0.66 -1.05 3.11 5.85 -0.27 -0.53 115.31 124.00 2d4r h LEU 138 Ca 0.35 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.89 2d4r h LEU 138 Cb 0.14 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 40.93 2d4r h LEU 138 CO -0.16 0.75 0.63 -0.08 -0.34 0.00 0.00 178.44 179.24 2d4r h GLU 139 N 0.54 1.05 -0.14 1.25 4.81 -0.70 -1.31 114.58 120.08 2d4r h GLU 139 Ca 0.13 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2d4r h GLU 139 Cb 0.37 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2d4r h GLU 139 CO 0.01 0.70 0.07 0.93 -0.73 0.00 0.00 179.01 179.98 2d4r h GLU 140 N 1.08 0.20 -0.81 1.92 5.08 -0.26 -2.67 114.58 119.13 2d4r h GLU 140 Ca 0.44 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 2d4r h GLU 140 Cb 0.27 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.44 2d4r h GLU 140 CO -0.19 0.25 0.51 -0.09 -1.00 0.00 0.00 179.01 178.49 2d4r h ARG 141 N 0.10 0.96 0.00 2.33 1.12 -0.38 -1.90 114.38 116.61 2d4r h ARG 141 Ca 0.05 -0.06 -0.04 0.00 -1.11 0.00 0.00 59.98 58.82 2d4r h ARG 141 Cb 0.12 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 2d4r h ARG 141 CO -0.01 0.63 -0.21 0.28 -3.11 0.00 0.00 179.97 177.56 2d4r h VAL 142 N 0.98 0.84 -0.01 0.20 2.07 -1.09 -2.33 116.25 116.91 2d4r h VAL 142 Ca 0.33 -0.81 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 2d4r h VAL 142 Cb 0.04 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2d4r h VAL 142 CO -0.13 0.21 -0.03 0.25 0.02 0.00 0.00 177.57 177.89 2d4r h LEU 143 N 0.00 0.04 -1.64 2.57 5.85 -1.01 -2.16 115.31 118.96 2d4r h LEU 143 Ca -0.00 -0.65 0.15 0.00 0.84 0.00 0.00 57.88 58.22 2d4r h LEU 143 Cb 0.47 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 2d4r h LEU 143 CO 0.03 0.68 0.49 0.00 -0.34 0.00 0.00 178.44 179.30 2d4r h ALA 144 N 0.36 2.18 0.00 1.25 0.00 -1.20 -3.08 119.26 118.76 2d4r h ALA 144 Ca -0.00 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2d4r h ALA 144 Cb 0.68 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2d4r h ALA 144 CO 0.01 -0.37 -1.36 0.00 0.00 0.00 0.00 179.25 177.52 2d4r h ALA 145 N 1.66 0.66 0.01 0.00 0.00 -1.29 -3.42 119.26 116.87 2d4r h ALA 145 Ca 0.36 -0.87 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2d4r h ALA 145 Cb 0.88 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2d4r h ALA 145 CO -0.10 0.96 -0.01 0.77 0.00 0.00 0.00 179.25 180.87 2d4r h SER 146 N 0.00 -0.01 -0.00 0.00 0.02 -1.29 -3.51 113.55 108.75 2d4r h SER 146 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2d4r h SER 146 Cb 1.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.15 2d4r h SER 146 CO 0.05 0.10 0.00 -0.24 -1.14 0.00 0.00 176.83 175.60