#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 0.57 0.08 0.54 2.12 -1.26 -1.79 118.70 118.96 2d4r s GLU 3 Ca 0.00 -0.79 0.04 0.00 0.36 0.00 0.00 54.97 54.58 2d4r s GLU 3 Cb 0.00 -0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.01 2d4r s GLU 3 CO 0.00 0.06 -0.11 0.08 -0.54 0.00 0.00 175.26 174.75 2d4r s VAL 4 N -1.43 0.95 -0.12 3.70 1.01 0.21 -4.99 120.40 119.73 2d4r s VAL 4 Ca -0.09 -1.41 -0.09 0.00 0.00 0.00 0.00 61.98 60.39 2d4r s VAL 4 Cb -0.10 -1.11 0.04 0.00 0.00 0.00 0.00 36.38 35.21 2d4r s VAL 4 CO 0.00 -0.39 0.31 0.00 0.00 0.00 0.00 175.10 175.02 2d4r s ARG 5 N -2.14 0.33 0.17 2.72 1.04 -1.26 -0.49 118.95 119.32 2d4r s ARG 5 Ca -0.00 0.50 0.11 0.00 -1.04 0.00 0.00 55.73 55.30 2d4r s ARG 5 Cb -0.07 0.08 -0.04 0.00 -2.04 0.00 0.00 34.95 32.88 2d4r s ARG 5 CO 0.01 -0.08 -0.22 0.00 -0.04 0.00 0.00 175.30 174.97 2d4r s ALA 6 N 0.57 2.59 -0.02 7.88 0.00 0.07 -4.98 121.76 127.88 2d4r s ALA 6 Ca -0.03 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.37 2d4r s ALA 6 Cb -0.05 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.66 2d4r s ALA 6 CO -0.03 0.47 -0.00 -2.00 0.00 0.00 0.00 175.76 174.19 2d4r s GLU 7 N -2.55 0.20 -0.17 0.00 2.12 -1.26 -0.75 118.70 116.29 2d4r s GLU 7 Ca 0.20 0.03 -0.13 0.00 0.36 0.00 0.00 54.97 55.42 2d4r s GLU 7 Cb -0.09 -0.31 0.05 0.00 0.26 0.00 0.00 34.13 34.04 2d4r s GLU 7 CO 0.10 -0.06 0.44 0.50 -0.54 0.00 0.00 175.26 175.70 2d4r s ARG 8 N 0.56 0.48 -0.14 4.30 3.52 -0.18 -4.99 118.95 122.50 2d4r s ARG 8 Ca -0.05 0.70 -0.19 0.00 -0.13 0.00 0.00 55.73 56.06 2d4r s ARG 8 Cb -0.08 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2d4r s ARG 8 CO -0.01 -0.10 0.52 -0.47 -0.81 0.00 0.00 175.30 174.43 2d4r s TYR 9 N 0.68 3.47 -0.14 5.12 5.04 -1.26 -0.12 117.35 130.14 2d4r s TYR 9 Ca -0.04 0.89 0.02 0.00 -2.44 0.00 0.00 57.07 55.50 2d4r s TYR 9 Cb -0.05 -2.62 0.02 0.00 0.35 0.00 0.00 41.96 39.65 2d4r s TYR 9 CO -0.05 0.06 -0.18 0.42 -1.34 0.00 0.00 175.55 174.46 2d4r s ILE 10 N 1.00 1.82 -1.05 3.14 1.01 0.12 -4.97 121.20 122.27 2d4r s ILE 10 Ca 0.27 -0.82 -0.23 0.00 0.00 0.00 0.00 60.65 59.87 2d4r s ILE 10 Cb -0.15 -1.65 -0.11 0.00 0.01 0.00 0.00 42.46 40.55 2d4r s ILE 10 CO 0.11 0.50 1.93 -0.81 0.00 0.00 0.00 174.94 176.67 2d4r n PRO 11 N 4.33 1.53 -3.61 2.79 -0.04 -1.26 -0.60 135.00 138.13 2d4r n PRO 11 Ca -0.19 -2.27 -0.06 0.00 -0.04 0.00 0.00 63.50 60.93 2d4r n PRO 11 Cb 0.51 -3.50 -0.05 0.00 -0.04 0.00 0.00 33.50 30.43 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 9.44 -2.04 0.36 0.55 0.00 -1.25 -4.97 121.76 123.84 2d4r s ALA 12 Ca 0.66 1.75 -0.28 0.00 0.00 0.00 0.00 51.96 54.08 2d4r s ALA 12 Cb 0.04 -1.19 -0.11 0.00 0.00 0.00 0.00 23.12 21.86 2d4r s ALA 12 CO 0.14 -0.26 1.50 -0.35 0.00 0.00 0.00 175.76 176.78 2d4r n PRO 13 N 0.73 2.64 -0.32 0.00 -0.04 -1.16 -2.72 135.00 134.12 2d4r n PRO 13 Ca -0.05 0.93 0.21 0.00 -0.04 0.00 0.00 63.50 64.54 2d4r n PRO 13 Cb 0.58 -2.66 0.40 0.00 -0.04 0.00 0.00 33.50 31.78 2d4r n PRO 13 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 2d4r h PRO 14 N 3.34 0.10 -0.46 0.54 0.11 -1.87 0.30 132.00 134.05 2d4r h PRO 14 Ca -0.50 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 2d4r h PRO 14 Cb 1.24 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2d4r h PRO 14 CO 0.67 0.07 0.10 1.49 -0.21 0.00 0.00 178.00 180.12 2d4r h GLU 15 N 0.10 0.70 -0.02 1.05 4.81 -1.94 0.20 114.58 119.47 2d4r h GLU 15 Ca 0.68 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.65 2d4r h GLU 15 Cb 1.56 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.84 2d4r h GLU 15 CO -0.77 0.65 -0.49 -0.09 -0.73 0.00 0.00 179.01 177.58 2d4r h ARG 16 N 0.68 0.37 -0.77 1.92 2.43 -0.79 -1.70 114.38 116.52 2d4r h ARG 16 Ca 0.15 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2d4r h ARG 16 Cb 0.27 0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.89 2d4r h ARG 16 CO -0.00 1.04 0.41 0.28 -1.51 0.00 0.00 179.97 180.19 2d4r h VAL 17 N -0.16 1.23 -0.33 0.20 2.07 -1.11 -1.65 116.25 116.51 2d4r h VAL 17 Ca -0.06 -0.60 -0.00 0.00 0.82 0.00 0.00 66.70 66.87 2d4r h VAL 17 Cb 1.19 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2d4r h VAL 17 CO 0.10 0.26 0.20 0.22 0.02 0.00 0.00 177.57 178.37 2d4r h TYR 18 N 1.07 0.43 -0.31 1.57 5.03 -0.61 -2.02 116.97 122.13 2d4r h TYR 18 Ca 0.27 0.00 -0.11 0.00 2.58 0.00 0.00 58.73 61.47 2d4r h TYR 18 Cb 0.05 -0.14 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 2d4r h TYR 18 CO 0.00 0.30 -0.27 0.00 -1.32 0.00 0.00 178.16 176.88 2d4r h ARG 19 N 0.43 0.63 0.00 1.82 2.47 -0.92 -2.16 114.38 116.65 2d4r h ARG 19 Ca 0.12 -0.26 -0.09 0.00 -1.26 0.00 0.00 59.98 58.49 2d4r h ARG 19 Cb -0.01 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 2d4r h ARG 19 CO -0.02 0.83 -0.45 -0.07 0.56 0.00 0.00 179.97 180.82 2d4r h LEU 20 N 0.55 0.00 -0.34 3.04 3.38 -1.21 -2.71 115.31 118.02 2d4r h LEU 20 Ca 0.07 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2d4r h LEU 20 Cb 0.74 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 2d4r h LEU 20 CO 0.06 0.45 -0.38 0.00 0.09 0.00 0.00 178.44 178.65 2d4r h ALA 21 N 1.55 0.81 0.00 1.53 0.00 -0.99 -3.26 119.26 118.90 2d4r h ALA 21 Ca -0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 54.91 54.39 2d4r h ALA 21 Cb 0.88 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2d4r h ALA 21 CO 0.06 0.47 -0.83 -0.22 0.00 0.00 0.00 179.25 178.73 2d4r h LYS 22 N 0.00 0.00 -5.24 0.00 3.64 -1.09 -3.34 116.57 110.54 2d4r h LYS 22 Ca -0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 2d4r h LYS 22 Cb 1.16 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.89 2d4r h LYS 22 CO 0.05 0.83 2.20 -3.47 -2.27 0.00 0.00 179.45 176.79 2d4r n ASP 23 N -3.52 4.83 -0.29 4.20 2.03 -1.09 -4.80 116.55 117.91 2d4r n ASP 23 Ca -0.00 -2.93 0.01 0.00 0.52 0.00 0.00 54.79 52.39 2d4r n ASP 23 Cb 0.80 -1.69 0.21 0.00 -0.72 0.00 0.00 41.12 39.73 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 11.41 0.95 -0.75 -2.67 3.38 -1.82 -1.11 115.31 124.70 2d4r h LEU 24 Ca 0.44 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.27 2d4r h LEU 24 Cb 0.82 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2d4r h LEU 24 CO 1.50 0.65 -0.52 -0.33 0.09 0.00 0.00 178.44 179.83 2d4r h GLU 25 N 1.10 0.28 0.00 1.13 5.08 -1.87 0.70 114.58 121.01 2d4r h GLU 25 Ca 0.35 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 2d4r h GLU 25 Cb 0.01 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2d4r h GLU 25 CO -0.10 0.73 -0.25 0.78 -1.00 0.00 0.00 179.01 179.17 2d4r h GLY 26 N 1.33 0.00 1.95 -3.84 0.00 -1.71 -3.09 103.07 97.71 2d4r h GLY 26 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2d4r h GLY 26 CO 0.08 0.00 -1.01 -2.00 0.00 0.00 0.00 176.54 173.61 2d4r h LEU 27 N 0.00 0.06 -0.90 3.11 6.46 0.02 -3.39 115.31 120.68 2d4r h LEU 27 Ca -0.00 -0.06 0.13 0.00 -0.12 0.00 0.00 57.88 57.82 2d4r h LEU 27 Cb 0.77 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.60 2d4r h LEU 27 CO 0.03 1.03 0.52 0.50 -0.62 0.00 0.00 178.44 179.90 2d4r h LYS 28 N 0.01 0.77 0.00 1.25 3.64 -0.83 -1.50 116.57 119.91 2d4r h LYS 28 Ca -0.03 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2d4r h LYS 28 Cb 1.76 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 33.41 2d4r h LYS 28 CO 0.14 0.51 0.03 -1.35 -2.27 0.00 0.00 179.45 176.51 2d4r h PRO 29 N 0.79 0.00 -0.20 1.90 0.11 -1.77 -1.49 132.00 131.35 2d4r h PRO 29 Ca 0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.57 2d4r h PRO 29 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 2d4r h PRO 29 CO -0.30 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.15 2d4r n TYR 30 N -2.78 0.24 -3.28 0.65 4.02 -0.57 -4.75 117.16 110.69 2d4r n TYR 30 Ca -0.02 -0.13 -0.46 0.00 -0.01 0.00 0.00 57.90 57.28 2d4r n TYR 30 Cb 0.09 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.37 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 -1.68 6.30 0.51 7.72 1.43 -0.56 -4.22 118.68 128.18 2d4r s LEU 31 Ca 0.32 -2.14 0.30 0.00 -1.03 0.00 0.00 54.13 51.58 2d4r s LEU 31 Cb 0.20 -2.23 1.15 0.00 0.03 0.00 0.00 46.19 45.35 2d4r s LEU 31 CO 0.30 -0.77 1.91 0.11 0.23 0.00 0.00 176.35 178.12 2d4r h LYS 32 N 8.45 0.00 -0.01 1.70 1.79 -1.85 -1.75 116.57 124.90 2d4r h LYS 32 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2d4r h LYS 32 Cb 1.07 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 2d4r h LYS 32 CO 0.93 0.06 -0.21 0.39 -1.08 0.00 0.00 179.45 179.54 2d4r n GLU 33 N -3.18 1.25 -3.76 3.15 1.02 -1.26 -4.81 120.64 113.06 2d4r n GLU 33 Ca 0.01 -0.84 -0.36 0.00 -0.02 0.00 0.00 57.16 55.95 2d4r n GLU 33 Cb 0.36 -1.48 -0.09 0.00 -0.02 0.00 0.00 31.44 30.21 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 -2.32 5.20 -0.14 2.62 1.01 -0.66 -0.83 120.40 125.28 2d4r s VAL 34 Ca 0.27 0.12 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 2d4r s VAL 34 Cb 0.20 -3.40 -0.25 0.00 0.00 0.00 0.00 36.38 32.93 2d4r s VAL 34 CO 0.46 0.40 0.30 1.21 0.00 0.00 0.00 175.10 177.46 2d4r n GLU 35 N 3.95 0.75 -3.76 2.72 2.13 0.19 -4.90 120.64 121.72 2d4r n GLU 35 Ca -0.16 0.25 -0.12 0.00 0.66 0.00 0.00 57.16 57.79 2d4r n GLU 35 Cb 0.52 -1.69 -0.12 0.00 0.27 0.00 0.00 31.44 30.42 2d4r n GLU 35 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2d4r s SER 36 N -6.98 -0.26 -0.20 4.31 1.04 -1.01 -5.00 113.70 105.60 2d4r s SER 36 Ca -0.24 0.51 -0.05 0.00 0.48 0.00 0.00 55.95 56.65 2d4r s SER 36 Cb 0.07 0.44 0.07 0.00 0.10 0.00 0.00 66.02 66.71 2d4r s SER 36 CO 0.75 -0.13 0.12 -0.22 0.98 0.00 0.00 173.24 174.74 2d4r s LEU 37 N 0.74 0.30 -0.15 2.42 0.20 -1.26 -0.34 118.68 120.61 2d4r s LEU 37 Ca -0.05 -0.70 0.02 0.00 0.69 0.00 0.00 54.13 54.09 2d4r s LEU 37 Cb -0.06 -0.16 0.01 0.00 -0.43 0.00 0.00 46.19 45.55 2d4r s LEU 37 CO -0.05 -0.37 -0.21 -1.83 -0.29 0.00 0.00 176.35 173.60 2d4r s GLU 38 N 2.16 3.03 -0.29 1.98 -1.05 -0.70 -4.76 118.70 119.08 2d4r s GLU 38 Ca 0.04 -0.85 -0.29 0.00 -0.15 0.00 0.00 54.97 53.73 2d4r s GLU 38 Cb -0.16 -2.46 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 2d4r s GLU 38 CO -0.16 -0.03 1.47 0.08 0.95 0.00 0.00 175.26 177.57 2d4r s VAL 39 N 0.87 3.89 -0.10 1.83 1.01 -1.26 -0.30 120.40 126.33 2d4r s VAL 39 Ca -0.06 0.99 0.16 0.00 0.00 0.00 0.00 61.98 63.07 2d4r s VAL 39 Cb -0.15 -3.96 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 2d4r s VAL 39 CO -0.03 -0.45 0.60 1.33 0.00 0.00 0.00 175.10 176.55 2d4r n VAL 40 N 6.50 1.34 -3.78 2.92 0.24 0.14 -4.95 118.33 120.74 2d4r n VAL 40 Ca 0.17 -0.76 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 2d4r n VAL 40 Cb 0.46 -0.77 -0.11 0.00 -1.47 0.00 0.00 33.84 31.95 2d4r n VAL 40 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2d4r s ALA 41 N -2.74 -0.64 -0.08 2.33 0.00 -0.93 -4.96 121.76 114.74 2d4r s ALA 41 Ca -0.05 0.70 0.00 0.00 0.00 0.00 0.00 51.96 52.61 2d4r s ALA 41 Cb 0.08 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2d4r s ALA 41 CO 0.83 -0.13 -0.06 0.50 0.00 0.00 0.00 175.76 176.89 2d4r s ARG 42 N 0.05 1.23 -0.21 0.00 6.06 -1.26 -0.32 118.95 124.50 2d4r s ARG 42 Ca -0.01 -0.19 -0.10 0.00 -2.50 0.00 0.00 55.73 52.94 2d4r s ARG 42 Cb -0.02 -1.26 0.08 0.00 0.06 0.00 0.00 34.95 33.80 2d4r s ARG 42 CO 0.01 -0.17 0.48 -1.21 -2.50 0.00 0.00 175.30 171.91 2d4r s GLU 43 N 1.36 0.45 1.12 5.12 2.02 0.01 -5.02 118.70 123.75 2d4r s GLU 43 Ca -0.03 0.98 0.00 0.00 0.02 0.00 0.00 54.97 55.94 2d4r s GLU 43 Cb -0.14 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.25 2d4r s GLU 43 CO -0.03 -0.18 0.00 0.41 0.02 0.00 0.00 175.26 175.48 2d4r n GLY 44 N 4.63 2.49 1.34 -1.39 0.00 -1.26 -0.06 105.19 110.94 2d4r n GLY 44 Ca -0.18 0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 9.72 2.39 -2.45 4.61 0.00 -1.26 -4.93 120.51 128.58 2d4r n ALA 45 Ca 0.00 -1.26 -0.27 0.00 0.00 0.00 0.00 53.44 51.91 2d4r n ALA 45 Cb 0.00 -0.93 -0.14 0.00 0.00 0.00 0.00 19.45 18.39 2d4r n ALA 45 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2d4r s ARG 46 N -1.08 1.40 0.38 0.00 1.70 0.91 0.11 118.95 122.37 2d4r s ARG 46 Ca 0.48 -1.13 0.07 0.00 -0.47 0.00 0.00 55.73 54.67 2d4r s ARG 46 Cb 0.25 -1.66 -0.07 0.00 -0.57 0.00 0.00 34.95 32.90 2d4r s ARG 46 CO 0.34 0.41 -0.00 0.95 -1.08 0.00 0.00 175.30 175.91 2d4r s THR 47 N -0.96 1.87 -0.03 4.99 -4.23 -0.42 -0.81 115.64 116.05 2d4r s THR 47 Ca 0.10 -2.04 0.05 0.00 -1.18 0.00 0.00 61.69 58.62 2d4r s THR 47 Cb -0.10 -2.88 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 2d4r s THR 47 CO 0.04 -0.05 -0.19 -0.60 -0.54 0.00 0.00 174.62 173.28 2d4r s ARG 48 N -3.73 1.70 0.02 3.99 3.52 0.56 -1.85 118.95 123.16 2d4r s ARG 48 Ca 0.35 -0.66 -0.00 0.00 -0.13 0.00 0.00 55.73 55.28 2d4r s ARG 48 Cb 0.08 -1.56 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 2d4r s ARG 48 CO 0.17 0.34 -0.02 -1.54 -0.81 0.00 0.00 175.30 173.44 2d4r s SER 49 N -0.23 0.25 -0.27 -2.12 1.04 0.47 0.26 113.70 113.09 2d4r s SER 49 Ca 0.02 -0.52 -0.06 0.00 0.48 0.00 0.00 55.95 55.87 2d4r s SER 49 Cb -0.09 0.11 -0.00 0.00 0.10 0.00 0.00 66.02 66.14 2d4r s SER 49 CO 0.01 -0.32 0.06 -0.60 0.98 0.00 0.00 173.24 173.36 2d4r s ARG 50 N -1.62 3.24 -0.10 4.02 3.52 0.59 0.02 118.95 128.61 2d4r s ARG 50 Ca -0.14 -0.75 -0.04 0.00 -0.13 0.00 0.00 55.73 54.66 2d4r s ARG 50 Cb -0.09 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 2d4r s ARG 50 CO -0.01 -0.36 0.06 -1.58 -0.81 0.00 0.00 175.30 172.60 2d4r s TRP 51 N 1.52 3.36 -0.13 5.12 0.52 0.47 -1.72 118.94 128.08 2d4r s TRP 51 Ca 0.04 0.34 0.00 0.00 0.02 0.00 0.00 56.10 56.50 2d4r s TRP 51 Cb -0.16 -1.86 0.02 0.00 -1.15 0.00 0.00 33.47 30.32 2d4r s TRP 51 CO 0.02 0.59 -0.12 0.08 0.02 0.00 0.00 176.95 177.53 2d4r s VAL 52 N -0.94 1.39 0.23 4.03 1.01 0.54 -1.62 120.40 125.04 2d4r s VAL 52 Ca 0.14 -0.53 0.11 0.00 0.00 0.00 0.00 61.98 61.70 2d4r s VAL 52 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 2d4r s VAL 52 CO 0.03 0.43 -0.17 0.00 0.00 0.00 0.00 175.10 175.39 2d4r s ALA 53 N 1.48 2.77 -0.12 5.51 0.00 -0.08 -0.64 121.76 130.68 2d4r s ALA 53 Ca 0.03 -1.70 0.01 0.00 0.00 0.00 0.00 51.96 50.30 2d4r s ALA 53 Cb -0.13 -0.44 -0.01 0.00 0.00 0.00 0.00 23.12 22.54 2d4r s ALA 53 CO -0.09 0.36 -0.16 0.14 0.00 0.00 0.00 175.76 176.02 2d4r s VAL 54 N -2.07 2.81 -0.36 0.00 -7.23 -0.01 -0.44 120.40 113.10 2d4r s VAL 54 Ca 0.26 -0.75 0.13 0.00 -1.81 0.00 0.00 61.98 59.82 2d4r s VAL 54 Cb -0.07 -2.16 0.44 0.00 0.56 0.00 0.00 36.38 35.15 2d4r s VAL 54 CO 0.14 0.53 0.99 0.00 -0.31 0.00 0.00 175.10 176.46 2d4r n ALA 55 N 3.50 3.92 0.00 1.32 0.00 -1.26 -4.86 120.51 123.12 2d4r n ALA 55 Ca -0.18 -3.55 0.00 0.00 0.00 0.00 0.00 53.44 49.71 2d4r n ALA 55 Cb 0.53 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.18 0.00 3.85 0.00 0.00 -1.26 -4.72 105.19 102.87 2d4r n GLY 57 Ca 0.20 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2d4r n GLY 57 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2d4r s LYS 58 N -1.50 3.12 0.11 1.61 2.47 -1.26 -5.11 119.74 119.17 2d4r s LYS 58 Ca 0.00 -0.68 -0.05 0.00 -1.56 0.00 0.00 55.97 53.68 2d4r s LYS 58 Cb 0.00 -2.81 -0.05 0.00 -1.46 0.00 0.00 37.83 33.51 2d4r s LYS 58 CO 0.00 0.54 0.34 -1.59 0.16 0.00 0.00 175.35 174.80 2d4r s LYS 59 N -2.85 3.60 -0.10 4.03 -2.85 -1.26 -4.64 119.74 115.67 2d4r s LYS 59 Ca 0.32 -0.10 0.04 0.00 -1.00 0.00 0.00 55.97 55.22 2d4r s LYS 59 Cb -0.11 -2.92 0.00 0.00 -2.06 0.00 0.00 37.83 32.74 2d4r s LYS 59 CO 0.25 0.52 -0.24 0.08 0.10 0.00 0.00 175.35 176.07 2d4r s VAL 60 N -1.56 2.04 -0.06 1.79 1.01 0.41 -4.98 120.40 119.06 2d4r s VAL 60 Ca 0.37 -1.01 0.05 0.00 0.00 0.00 0.00 61.98 61.39 2d4r s VAL 60 Cb -0.13 -1.77 -0.00 0.00 0.00 0.00 0.00 36.38 34.48 2d4r s VAL 60 CO 0.23 0.56 -0.20 -0.13 0.00 0.00 0.00 175.10 175.55 2d4r s ARG 61 N 0.38 2.24 0.11 2.72 0.52 -1.26 -0.90 118.95 122.76 2d4r s ARG 61 Ca -0.18 -0.73 -0.13 0.00 -0.52 0.00 0.00 55.73 54.16 2d4r s ARG 61 Cb -0.18 -1.86 0.02 0.00 0.52 0.00 0.00 34.95 33.45 2d4r s ARG 61 CO 0.08 0.26 0.33 1.67 0.02 0.00 0.00 175.30 177.66 2d4r s TRP 62 N 0.08 -0.08 0.01 -0.53 -2.14 -0.64 -0.46 118.94 115.18 2d4r s TRP 62 Ca -0.07 -0.27 -0.04 0.00 2.66 0.00 0.00 56.10 58.37 2d4r s TRP 62 Cb -0.14 0.15 -0.04 0.00 -3.10 0.00 0.00 33.47 30.34 2d4r s TRP 62 CO 0.04 -0.64 0.23 -0.51 -2.66 0.00 0.00 176.95 173.41 2d4r s LEU 63 N -2.81 4.36 -0.03 -4.66 1.43 -0.21 -0.39 118.68 116.38 2d4r s LEU 63 Ca 0.03 0.44 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2d4r s LEU 63 Cb 0.03 -2.72 0.01 0.00 0.03 0.00 0.00 46.19 43.54 2d4r s LEU 63 CO -0.12 0.24 -0.03 -0.70 0.23 0.00 0.00 176.35 175.97 2d4r s GLU 64 N -1.97 0.54 -0.21 1.70 2.12 0.10 -3.93 118.70 117.05 2d4r s GLU 64 Ca 0.29 -0.08 -0.07 0.00 0.36 0.00 0.00 54.97 55.47 2d4r s GLU 64 Cb -0.13 -0.59 -0.03 0.00 0.26 0.00 0.00 34.13 33.64 2d4r s GLU 64 CO 0.19 -0.03 0.05 -1.21 -0.54 0.00 0.00 175.26 173.72 2d4r s GLU 65 N 0.58 3.74 -0.08 4.30 2.02 0.42 -0.40 118.70 129.30 2d4r s GLU 65 Ca -0.07 -0.45 0.04 0.00 0.02 0.00 0.00 54.97 54.51 2d4r s GLU 65 Cb -0.10 -3.22 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2d4r s GLU 65 CO -0.00 0.02 -0.19 -1.83 0.02 0.00 0.00 175.26 173.27 2d4r s GLU 66 N 1.04 2.80 -0.22 1.61 1.03 -0.77 -0.68 118.70 123.51 2d4r s GLU 66 Ca 0.03 -0.79 -0.07 0.00 0.03 0.00 0.00 54.97 54.18 2d4r s GLU 66 Cb -0.14 -2.36 -0.03 0.00 -0.80 0.00 0.00 34.13 30.80 2d4r s GLU 66 CO 0.03 0.38 0.05 -2.00 -1.33 0.00 0.00 175.26 172.39 2d4r s GLU 67 N -0.13 3.73 -0.22 -4.83 2.12 0.28 -1.31 118.70 118.34 2d4r s GLU 67 Ca -0.03 -0.45 -0.09 0.00 0.36 0.00 0.00 54.97 54.76 2d4r s GLU 67 Cb -0.14 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 30.97 2d4r s GLU 67 CO 0.04 -0.01 0.11 -1.58 -0.54 0.00 0.00 175.26 173.27 2d4r s TRP 68 N 1.13 3.27 -0.76 5.30 0.52 0.30 -0.49 118.94 128.21 2d4r s TRP 68 Ca 0.04 0.09 -0.08 0.00 0.02 0.00 0.00 56.10 56.17 2d4r s TRP 68 Cb -0.14 -2.18 0.20 0.00 -1.15 0.00 0.00 33.47 30.19 2d4r s TRP 68 CO 0.03 0.06 0.65 0.34 0.02 0.00 0.00 176.95 178.05 2d4r s ASP 69 N 0.81 6.08 0.25 2.95 -1.08 0.10 -4.77 116.67 121.01 2d4r s ASP 69 Ca 0.06 -2.90 -0.06 0.00 -0.52 0.00 0.00 52.55 49.13 2d4r s ASP 69 Cb -0.13 -2.04 0.26 0.00 -1.46 0.00 0.00 42.92 39.55 2d4r s ASP 69 CO 0.02 -0.44 1.87 0.44 0.52 0.00 0.00 175.17 177.58 2d4r h ASP 70 N 7.26 1.08 0.04 -0.34 3.45 -1.95 -0.32 116.42 125.63 2d4r h ASP 70 Ca 0.07 -0.10 0.02 0.00 0.43 0.00 0.00 57.03 57.45 2d4r h ASP 70 Cb 0.98 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 39.44 2d4r h ASP 70 CO 0.75 0.87 -0.18 -0.33 -1.57 0.00 0.00 179.24 178.78 2d4r h GLU 71 N 1.21 -0.30 -0.61 3.56 4.39 -1.95 -3.21 114.58 117.68 2d4r h GLU 71 Ca 0.30 0.02 0.00 0.00 0.34 0.00 0.00 59.36 60.02 2d4r h GLU 71 Cb 0.03 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2d4r h GLU 71 CO -0.05 -0.20 0.00 0.09 -1.16 0.00 0.00 179.01 177.69 2d4r n ASN 72 N -5.31 3.67 -3.69 1.42 4.13 -1.13 -4.98 115.26 109.37 2d4r n ASN 72 Ca -0.06 -2.03 -0.22 0.00 1.68 0.00 0.00 54.58 53.96 2d4r n ASN 72 Cb 0.22 -0.41 0.04 0.00 -1.54 0.00 0.00 39.78 38.09 2d4r n ASN 72 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2d4r n LEU 73 N 1.25 -3.15 -4.21 3.41 4.77 -0.16 -4.82 117.00 114.09 2d4r n LEU 73 Ca 0.20 -0.79 -0.12 0.00 -0.03 0.00 0.00 56.01 55.27 2d4r n LEU 73 Cb 0.57 -2.71 -0.10 0.00 -2.33 0.00 0.00 43.42 38.86 2d4r n LEU 73 CO 0.14 0.42 -0.37 -0.13 -1.33 0.00 0.00 177.39 176.12 2d4r s ARG 74 N -5.99 0.98 0.04 3.23 0.52 -1.05 -2.43 118.95 114.26 2d4r s ARG 74 Ca 0.09 -1.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.87 2d4r s ARG 74 Cb -0.04 -0.32 -0.03 0.00 0.52 0.00 0.00 34.95 35.08 2d4r s ARG 74 CO 0.80 -0.04 -0.04 1.21 0.02 0.00 0.00 175.30 177.25 2d4r s ASN 75 N -3.12 0.50 -0.00 0.23 3.84 0.05 0.01 114.94 116.44 2d4r s ASN 75 Ca 0.17 -0.69 0.06 0.00 0.21 0.00 0.00 52.86 52.61 2d4r s ASN 75 Cb 0.05 0.11 -0.02 0.00 -0.55 0.00 0.00 41.25 40.85 2d4r s ASN 75 CO -0.00 -0.38 -0.19 -0.13 -2.79 0.00 0.00 177.10 173.61 2d4r s ARG 76 N -2.34 1.46 0.06 0.43 0.52 0.36 -2.52 118.95 116.91 2d4r s ARG 76 Ca -0.06 -0.70 0.01 0.00 -0.52 0.00 0.00 55.73 54.46 2d4r s ARG 76 Cb -0.04 -1.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.96 2d4r s ARG 76 CO -0.03 0.39 -0.06 -0.59 0.02 0.00 0.00 175.30 175.03 2d4r s PHE 77 N -0.50 0.65 -0.20 -0.53 -0.71 -0.77 0.98 117.98 116.90 2d4r s PHE 77 Ca 0.07 -0.72 -0.20 0.00 -1.04 0.00 0.00 56.93 55.04 2d4r s PHE 77 Cb -0.07 -0.40 0.06 0.00 -1.21 0.00 0.00 43.02 41.39 2d4r s PHE 77 CO -0.00 -0.17 0.57 0.12 -1.34 0.00 0.00 175.22 174.40 2d4r s PHE 78 N -2.47 -0.62 -0.30 3.49 5.36 0.14 -1.79 117.98 121.79 2d4r s PHE 78 Ca -0.02 1.47 -0.12 0.00 -0.96 0.00 0.00 56.93 57.31 2d4r s PHE 78 Cb -0.03 0.22 -0.04 0.00 -0.34 0.00 0.00 43.02 42.84 2d4r s PHE 78 CO -0.03 -0.32 0.23 0.45 -1.46 0.00 0.00 175.22 174.09 2d4r s SER 79 N 0.17 6.06 0.28 6.13 0.15 0.31 -0.43 113.70 126.37 2d4r s SER 79 Ca -0.01 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.73 2d4r s SER 79 Cb -0.04 -2.14 0.21 0.00 -1.71 0.00 0.00 66.02 62.35 2d4r s SER 79 CO 0.01 -0.14 1.33 1.55 1.20 0.00 0.00 173.24 177.19 2d4r h PRO 80 N 8.40 0.00 -2.72 5.44 0.14 -1.91 -3.41 132.00 137.93 2d4r h PRO 80 Ca -0.33 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 65.77 2d4r h PRO 80 Cb 1.17 0.00 -0.14 0.00 0.14 0.00 0.00 31.00 32.17 2d4r h PRO 80 CO 0.59 0.00 0.18 -1.83 0.14 0.00 0.00 178.00 177.09 2d4r s GLU 81 N -3.27 1.20 0.00 0.86 -1.05 -1.26 -5.09 118.70 110.09 2d4r s GLU 81 Ca 0.04 -0.26 0.00 0.00 -0.15 0.00 0.00 54.97 54.60 2d4r s GLU 81 Cb 0.08 0.55 0.00 0.00 -0.44 0.00 0.00 34.13 34.33 2d4r s GLU 81 CO 0.73 -0.48 0.00 0.41 0.95 0.00 0.00 175.26 176.87 2d4r n GLY 82 N 0.03 0.84 0.13 -3.83 0.00 -1.26 -1.04 105.19 100.06 2d4r n GLY 82 Ca -0.18 -1.82 0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -3.59 1.61 3.32 -1.16 -3.45 116.42 113.15 2d4r h ASP 83 Ca 0.00 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.53 2d4r h ASP 83 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 2d4r h ASP 83 CO 0.00 0.53 0.16 -0.36 -1.72 0.00 0.00 179.24 177.86 2d4r s PHE 84 N -2.94 3.75 0.26 4.55 0.40 -1.26 -4.76 117.98 117.97 2d4r s PHE 84 Ca 0.03 1.53 0.08 0.00 -0.60 0.00 0.00 56.93 57.97 2d4r s PHE 84 Cb 0.08 -2.71 0.31 0.00 0.51 0.00 0.00 43.02 41.21 2d4r s PHE 84 CO 0.75 0.39 1.59 -0.44 0.70 0.00 0.00 175.22 178.21 2d4r h ASP 85 N 3.72 0.11 -3.45 1.36 3.45 -1.02 -3.45 116.42 117.14 2d4r h ASP 85 Ca -0.47 -0.06 -0.18 0.00 0.43 0.00 0.00 57.03 56.75 2d4r h ASP 85 Cb 1.20 -0.03 -0.28 0.00 -0.56 0.00 0.00 39.33 39.65 2d4r h ASP 85 CO 0.65 0.69 -0.44 -0.60 -1.57 0.00 0.00 179.24 177.98 2d4r s ARG 86 N -3.67 0.26 -0.29 3.56 3.52 -1.03 -4.91 118.95 116.39 2d4r s ARG 86 Ca -0.02 0.53 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 2d4r s ARG 86 Cb 0.12 -0.04 0.16 0.00 -1.56 0.00 0.00 34.95 33.63 2d4r s ARG 86 CO 0.78 -0.13 0.42 -0.47 -0.81 0.00 0.00 175.30 175.08 2d4r s TYR 87 N 1.01 -1.04 0.15 5.12 5.04 -1.25 -0.29 117.35 126.08 2d4r s TYR 87 Ca -0.07 0.41 -0.19 0.00 -2.44 0.00 0.00 57.07 54.78 2d4r s TYR 87 Cb -0.08 -0.11 0.05 0.00 0.35 0.00 0.00 41.96 42.16 2d4r s TYR 87 CO -0.07 -0.97 0.49 -1.83 -1.34 0.00 0.00 175.55 171.83 2d4r s GLU 88 N 2.56 1.19 0.00 4.97 -1.05 -0.20 -0.53 118.70 125.64 2d4r s GLU 88 Ca 0.10 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.29 2d4r s GLU 88 Cb -0.13 0.52 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 2d4r s GLU 88 CO -0.29 -0.49 0.00 0.41 0.95 0.00 0.00 175.26 175.84 2d4r n GLY 89 N -0.30 -0.53 3.01 -3.83 0.00 -0.74 0.54 105.19 103.33 2d4r n GLY 89 Ca -0.16 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.29 0.06 -0.19 2.61 -4.23 -0.51 -1.85 115.64 108.24 2d4r s THR 90 Ca 0.00 -0.50 -0.06 0.00 -1.18 0.00 0.00 61.69 59.96 2d4r s THR 90 Cb 0.00 -0.26 -0.03 0.00 1.34 0.00 0.00 72.50 73.55 2d4r s THR 90 CO 0.00 -0.27 0.02 0.26 -0.54 0.00 0.00 174.62 174.09 2d4r s TRP 91 N -0.87 3.10 0.06 3.99 0.52 -1.05 -1.54 118.94 123.16 2d4r s TRP 91 Ca -0.10 -0.26 0.07 0.00 0.02 0.00 0.00 56.10 55.83 2d4r s TRP 91 Cb -0.06 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 2d4r s TRP 91 CO 0.00 -0.10 -0.18 0.14 0.02 0.00 0.00 176.95 176.83 2d4r s VAL 92 N 0.78 1.46 -0.26 4.03 -7.23 -0.51 -0.77 120.40 117.91 2d4r s VAL 92 Ca 0.01 -1.22 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 2d4r s VAL 92 Cb -0.14 -1.31 0.07 0.00 0.56 0.00 0.00 36.38 35.56 2d4r s VAL 92 CO 0.02 0.05 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.46 2d4r s PHE 93 N -0.94 2.68 -0.00 2.82 0.40 -1.02 -1.18 117.98 120.75 2d4r s PHE 93 Ca 0.05 -2.02 0.01 0.00 -0.60 0.00 0.00 56.93 54.37 2d4r s PHE 93 Cb -0.09 -1.83 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 2d4r s PHE 93 CO 0.02 -0.82 0.00 -0.51 0.70 0.00 0.00 175.22 174.61 2d4r s LEU 94 N 1.29 3.51 0.04 -0.37 1.43 -0.24 -4.91 118.68 119.44 2d4r s LEU 94 Ca -0.03 -0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 52.76 2d4r s LEU 94 Cb -0.19 -2.02 -0.06 0.00 0.03 0.00 0.00 46.19 43.95 2d4r s LEU 94 CO -0.08 0.28 1.33 -2.16 0.23 0.00 0.00 176.35 175.96 2d4r s PRO 95 N -1.56 4.33 -0.39 1.29 0.04 -1.26 -0.07 135.00 137.38 2d4r s PRO 95 Ca 0.20 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.19 2d4r s PRO 95 Cb -0.12 -3.43 0.16 0.00 0.04 0.00 0.00 34.50 31.16 2d4r s PRO 95 CO 0.10 -0.45 0.29 -2.00 0.04 0.00 0.00 177.00 174.98 2d4r s GLU 96 N 1.71 0.76 2.16 4.56 2.12 -0.33 -4.75 118.70 124.93 2d4r s GLU 96 Ca 0.62 -1.80 0.00 0.00 0.36 0.00 0.00 54.97 54.16 2d4r s GLU 96 Cb -0.32 -1.36 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2d4r s GLU 96 CO 0.28 -1.32 0.00 0.41 -0.54 0.00 0.00 175.26 174.09 2d4r n GLY 97 N 3.31 -1.28 0.46 -1.50 0.00 -1.26 -2.86 105.19 102.07 2d4r n GLY 97 Ca 0.23 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2d4r n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2d4r n GLU 98 N 0.00 0.52 -3.05 1.61 1.02 -1.26 -4.76 120.64 114.72 2d4r n GLU 98 Ca 0.00 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.03 2d4r n GLU 98 Cb 0.00 -1.24 -0.03 0.00 -0.02 0.00 0.00 31.44 30.15 2d4r n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d4r n GLY 99 N 0.22 3.74 3.03 0.62 0.00 -1.13 -2.99 105.19 108.68 2d4r n GLY 99 Ca 0.00 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.18 1.31 -0.47 2.61 2.01 0.23 -1.19 115.64 117.96 2d4r s THR 100 Ca 0.08 -0.54 -0.20 0.00 0.31 0.00 0.00 61.69 61.34 2d4r s THR 100 Cb 0.00 -1.21 0.04 0.00 0.01 0.00 0.00 72.50 71.35 2d4r s THR 100 CO 0.06 0.40 0.65 -0.60 -0.69 0.00 0.00 174.62 174.44 2d4r s ARG 101 N 0.93 3.20 -0.15 4.92 3.52 0.90 0.16 118.95 132.43 2d4r s ARG 101 Ca -0.09 -0.60 -0.18 0.00 -0.13 0.00 0.00 55.73 54.73 2d4r s ARG 101 Cb -0.15 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.18 2d4r s ARG 101 CO 0.00 -1.13 0.48 0.08 -0.81 0.00 0.00 175.30 173.93 2d4r s VAL 102 N 2.79 5.17 -0.16 7.11 1.01 0.82 -1.08 120.40 136.06 2d4r s VAL 102 Ca 0.19 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.12 2d4r s VAL 102 Cb -0.16 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2d4r s VAL 102 CO 0.16 0.28 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 2d4r s VAL 103 N 0.95 2.22 -0.20 2.92 1.01 -0.32 -1.01 120.40 125.97 2d4r s VAL 103 Ca 0.25 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.32 2d4r s VAL 103 Cb -0.15 -1.91 0.02 0.00 0.00 0.00 0.00 36.38 34.34 2d4r s VAL 103 CO 0.10 0.54 -0.17 -0.22 0.00 0.00 0.00 175.10 175.34 2d4r s LEU 104 N 0.97 2.39 -0.11 3.92 2.96 0.07 -1.42 118.68 127.46 2d4r s LEU 104 Ca -0.03 -0.74 0.02 0.00 -0.22 0.00 0.00 54.13 53.17 2d4r s LEU 104 Cb -0.15 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 2d4r s LEU 104 CO -0.05 -0.03 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.87 2d4r s THR 105 N 1.28 2.43 -0.15 3.68 2.01 -0.59 -0.75 115.64 123.55 2d4r s THR 105 Ca 0.03 -0.88 -0.02 0.00 0.31 0.00 0.00 61.69 61.13 2d4r s THR 105 Cb -0.14 -1.97 0.05 0.00 0.01 0.00 0.00 72.50 70.45 2d4r s THR 105 CO -0.11 0.55 0.01 -0.22 -0.69 0.00 0.00 174.62 174.16 2d4r s LEU 106 N 0.37 1.08 -0.22 4.42 2.96 0.36 -1.42 118.68 126.23 2d4r s LEU 106 Ca -0.15 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.05 2d4r s LEU 106 Cb -0.17 -0.60 -0.05 0.00 0.50 0.00 0.00 46.19 45.87 2d4r s LEU 106 CO 0.07 -0.25 0.22 -0.89 -1.32 0.00 0.00 176.35 174.18 2d4r s THR 107 N 1.85 5.33 0.07 3.68 2.01 0.19 -0.62 115.64 128.15 2d4r s THR 107 Ca 0.01 0.32 0.02 0.00 0.31 0.00 0.00 61.69 62.36 2d4r s THR 107 Cb -0.15 -3.56 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 2d4r s THR 107 CO -0.07 0.34 -0.08 -0.72 -0.69 0.00 0.00 174.62 173.40 2d4r s TYR 108 N 0.98 0.80 -0.03 4.92 -0.85 -0.74 -1.03 117.35 121.41 2d4r s TYR 108 Ca 0.11 -0.70 -0.01 0.00 -0.52 0.00 0.00 57.07 55.95 2d4r s TYR 108 Cb -0.13 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 41.77 2d4r s TYR 108 CO 0.04 -0.11 0.04 -1.21 -1.52 0.00 0.00 175.55 172.80 2d4r s GLU 109 N -2.68 -0.01 -0.25 -3.49 2.02 0.60 -2.95 118.70 111.93 2d4r s GLU 109 Ca 0.01 0.26 0.01 0.00 0.02 0.00 0.00 54.97 55.26 2d4r s GLU 109 Cb -0.03 -0.39 0.07 0.00 0.10 0.00 0.00 34.13 33.88 2d4r s GLU 109 CO -0.02 -0.24 -0.03 -1.17 0.02 0.00 0.00 175.26 173.82 2d4r s LEU 110 N 1.54 2.75 -0.15 1.80 0.20 -1.26 -0.38 118.68 123.18 2d4r s LEU 110 Ca -0.03 -1.31 -0.29 0.00 0.69 0.00 0.00 54.13 53.20 2d4r s LEU 110 Cb -0.13 -1.20 -0.01 0.00 -0.43 0.00 0.00 46.19 44.43 2d4r s LEU 110 CO -0.03 -0.26 0.99 0.42 -0.29 0.00 0.00 176.35 177.17 2d4r s THR 111 N 1.36 4.77 -0.19 3.68 -4.23 -1.26 -5.01 115.64 114.76 2d4r s THR 111 Ca -0.03 1.97 0.00 0.00 -1.18 0.00 0.00 61.69 62.45 2d4r s THR 111 Cb -0.19 -4.28 0.02 0.00 1.34 0.00 0.00 72.50 69.39 2d4r s THR 111 CO -0.08 -0.05 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.16 2d4r s ILE 112 N 2.38 2.26 0.06 2.99 1.09 -1.26 -5.07 121.20 123.65 2d4r s ILE 112 Ca 0.45 -0.95 -0.34 0.00 -1.10 0.00 0.00 60.65 58.72 2d4r s ILE 112 Cb -0.17 -2.00 -0.13 0.00 -1.06 0.00 0.00 42.46 39.10 2d4r s ILE 112 CO 0.13 0.47 1.68 -2.65 -0.10 0.00 0.00 174.94 174.47 2d4r n PRO 113 N 4.63 2.12 0.00 2.79 -0.02 -1.26 -2.77 135.00 140.48 2d4r n PRO 113 Ca -0.20 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2d4r n PRO 113 Cb 0.49 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2d4r n PRO 113 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2d4r n ILE 114 N 4.04 0.00 0.20 4.25 5.41 -1.26 -4.51 119.36 127.49 2d4r n ILE 114 Ca 0.19 0.00 0.08 0.00 1.00 0.00 0.00 62.75 64.03 2d4r n ILE 114 Cb 0.29 0.00 0.15 0.00 -0.71 0.00 0.00 39.64 39.37 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 0.36 0.25 1.39 3.72 -1.23 -4.63 117.46 117.32 2d4r n PHE 115 Ca 0.00 -0.26 0.14 0.00 -0.05 0.00 0.00 57.45 57.28 2d4r n PHE 115 Cb 0.00 -0.01 0.82 0.00 -0.94 0.00 0.00 39.48 39.35 2d4r n PHE 115 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2d4r h GLY 116 N 3.16 0.00 0.54 1.37 0.00 -1.75 -2.09 103.07 104.31 2d4r h GLY 116 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.00 2d4r h GLY 116 CO 0.00 0.00 -2.02 0.61 0.00 0.00 0.00 176.54 175.13 2d4r n GLY 117 N -1.41 -0.93 0.20 4.60 0.00 -1.26 -3.62 105.19 102.77 2d4r n GLY 117 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 2d4r n GLY 117 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d4r h LEU 118 N 0.01 0.22 -3.27 0.99 3.38 -1.80 -3.11 115.31 111.73 2d4r h LEU 118 Ca -0.41 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2d4r h LEU 118 Cb 2.10 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.78 2d4r h LEU 118 CO 0.05 0.60 0.00 0.18 0.09 0.00 0.00 178.44 179.37 2d4r n LEU 119 N -4.04 4.05 -0.09 1.67 4.77 -0.81 -4.68 117.00 117.88 2d4r n LEU 119 Ca -0.01 -2.92 0.03 0.00 -0.03 0.00 0.00 56.01 53.07 2d4r n LEU 119 Cb 0.47 -0.54 0.35 0.00 -2.33 0.00 0.00 43.42 41.37 2d4r n LEU 119 CO 0.41 0.68 1.19 -0.09 -1.33 0.00 0.00 177.39 178.25 2d4r h ARG 120 N 2.13 0.72 0.20 3.23 9.65 -1.60 -1.14 114.38 127.57 2d4r h ARG 120 Ca 0.00 -0.04 -0.32 0.00 -1.10 0.00 0.00 59.98 58.52 2d4r h ARG 120 Cb 1.46 -0.16 0.02 0.00 -1.39 0.00 0.00 29.97 29.89 2d4r h ARG 120 CO 0.24 0.48 -1.44 -0.22 2.80 0.00 0.00 179.97 181.83 2d4r h LYS 121 N 0.75 0.41 -0.01 0.20 3.64 -1.84 -2.25 116.57 117.46 2d4r h LYS 121 Ca 0.20 -0.71 -0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2d4r h LYS 121 Cb -0.08 0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2d4r h LYS 121 CO -0.04 1.33 0.00 1.25 -2.27 0.00 0.00 179.45 179.72 2d4r h LEU 122 N 0.11 0.01 -0.71 5.20 5.85 -1.85 -0.79 115.31 123.13 2d4r h LEU 122 Ca -0.23 -0.08 0.15 0.00 0.84 0.00 0.00 57.88 58.56 2d4r h LEU 122 Cb 2.09 -0.00 -0.10 0.00 0.37 0.00 0.00 40.66 43.01 2d4r h LEU 122 CO 0.23 0.09 0.18 0.58 -0.34 0.00 0.00 178.44 179.18 2d4r h VAL 123 N -0.07 0.56 0.00 1.05 2.07 -1.29 0.03 116.25 118.60 2d4r h VAL 123 Ca 0.00 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.45 2d4r h VAL 123 Cb 0.08 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2d4r h VAL 123 CO -0.00 0.05 -0.16 -0.61 0.02 0.00 0.00 177.57 176.87 2d4r h GLN 124 N 0.29 -0.26 -0.42 1.57 5.75 -0.89 -2.88 115.11 118.27 2d4r h GLN 124 Ca 0.40 0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.90 2d4r h GLN 124 Cb 0.65 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.24 2d4r h GLN 124 CO -0.48 -0.17 0.22 -0.22 -2.65 0.00 0.00 178.83 175.53 2d4r h LYS 125 N -0.27 0.60 -1.08 1.69 1.63 -0.38 -0.73 116.57 118.03 2d4r h LYS 125 Ca 0.05 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 2d4r h LYS 125 Cb 0.33 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2d4r h LYS 125 CO -0.15 0.50 0.00 1.28 -3.45 0.00 0.00 179.45 177.63 2d4r n LEU 126 N -4.69 0.00 0.00 5.20 4.77 -0.08 -0.64 117.00 121.56 2d4r n LEU 126 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2d4r n LEU 126 Cb 0.10 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 2d4r n LEU 126 CO 0.36 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.42 2d4r n GLN 128 N 0.65 0.00 -0.18 3.23 1.13 -0.28 -1.22 117.38 120.71 2d4r n GLN 128 Ca 0.00 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 2d4r n GLN 128 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 30.24 30.36 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 0.91 -0.37 -1.09 4.39 -1.15 -1.98 114.58 115.29 2d4r h GLU 129 Ca 0.00 -0.29 0.02 0.00 0.34 0.00 0.00 59.36 59.43 2d4r h GLU 129 Cb 0.00 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 2d4r h GLU 129 CO 0.00 0.93 0.22 -0.91 -1.16 0.00 0.00 179.01 178.09 2d4r h ASN 130 N 0.78 0.35 0.59 1.42 4.21 -1.41 0.66 115.58 122.17 2d4r h ASN 130 Ca 0.15 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.49 2d4r h ASN 130 Cb 0.51 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 2d4r h ASN 130 CO 0.03 0.25 -0.78 -0.37 -1.29 0.00 0.00 177.43 175.27 2d4r h VAL 131 N 0.44 1.48 -0.93 2.81 -1.51 -1.82 -0.50 116.25 116.23 2d4r h VAL 131 Ca 0.15 -2.46 -0.01 0.00 -1.23 0.00 0.00 66.70 63.15 2d4r h VAL 131 Cb 0.01 2.34 -0.04 0.00 -2.13 0.00 0.00 31.29 31.46 2d4r h VAL 131 CO -0.07 0.72 0.55 -0.33 -1.23 0.00 0.00 177.57 177.20 2d4r h GLU 132 N 0.09 1.27 -0.02 5.19 5.08 -1.11 -2.68 114.58 122.40 2d4r h GLU 132 Ca -0.02 -0.12 -0.18 0.00 -1.00 0.00 0.00 59.36 58.03 2d4r h GLU 132 Cb 1.36 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 2d4r h GLU 132 CO 0.11 0.90 -0.80 0.66 -1.00 0.00 0.00 179.01 178.89 2d4r h SER 133 N 1.29 0.29 -0.24 1.42 4.64 -0.68 -1.50 113.55 118.77 2d4r h SER 133 Ca 0.33 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2d4r h SER 133 Cb -0.03 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2d4r h SER 133 CO -0.06 0.98 0.15 -0.07 -0.87 0.00 0.00 176.83 176.96 2d4r h LEU 134 N 0.15 0.29 0.09 5.97 3.38 -0.94 0.21 115.31 124.46 2d4r h LEU 134 Ca -0.04 -0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.64 2d4r h LEU 134 Cb 1.39 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2d4r h LEU 134 CO 0.12 0.23 -1.45 -0.07 0.09 0.00 0.00 178.44 177.36 2d4r h LEU 135 N 0.34 0.29 -0.77 1.67 3.38 -1.18 -2.47 115.31 116.58 2d4r h LEU 135 Ca 0.09 -0.40 -0.13 0.00 0.09 0.00 0.00 57.88 57.53 2d4r h LEU 135 Cb -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 2d4r h LEU 135 CO -0.02 1.33 -0.48 0.50 0.09 0.00 0.00 178.44 179.86 2d4r h LYS 136 N 0.05 0.31 -0.14 1.13 3.11 -1.07 -1.63 116.57 118.34 2d4r h LYS 136 Ca -0.21 -0.17 -0.09 0.00 -2.81 0.00 0.00 60.65 57.37 2d4r h LYS 136 Cb 1.98 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 33.20 2d4r h LYS 136 CO 0.15 0.73 -0.31 0.78 -2.81 0.00 0.00 179.45 177.99 2d4r h GLY 137 N 1.27 0.30 1.42 5.01 0.00 -0.99 -2.36 103.07 107.71 2d4r h GLY 137 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 2d4r h GLY 137 CO 0.08 0.23 -0.48 -2.00 0.00 0.00 0.00 176.54 174.36 2d4r h LEU 138 N 0.24 0.68 -0.71 3.11 5.85 -1.06 -1.77 115.31 121.66 2d4r h LEU 138 Ca 0.03 -0.34 0.11 0.00 0.84 0.00 0.00 57.88 58.53 2d4r h LEU 138 Cb 0.68 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.43 2d4r h LEU 138 CO 0.05 1.05 0.31 -0.33 -0.34 0.00 0.00 178.44 179.19 2d4r h GLU 139 N 0.50 0.49 0.00 1.25 4.39 -1.07 -1.04 114.58 119.10 2d4r h GLU 139 Ca 0.03 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2d4r h GLU 139 Cb 1.02 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2d4r h GLU 139 CO 0.10 0.32 -0.04 0.93 -1.16 0.00 0.00 179.01 179.16 2d4r h GLU 140 N 0.50 0.00 -0.04 2.33 5.08 -1.11 -2.04 114.58 119.31 2d4r h GLU 140 Ca 0.37 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.65 2d4r h GLU 140 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 2d4r h GLU 140 CO -0.33 0.04 -0.27 -0.09 -1.00 0.00 0.00 179.01 177.36 2d4r h ARG 141 N 0.00 0.25 -0.41 2.33 1.12 -0.47 -2.54 114.38 114.66 2d4r h ARG 141 Ca -0.00 -0.22 -0.10 0.00 -1.11 0.00 0.00 59.98 58.54 2d4r h ARG 141 Cb 0.90 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 2d4r h ARG 141 CO 0.01 0.89 -0.16 0.28 -3.11 0.00 0.00 179.97 177.87 2d4r h VAL 142 N -0.31 1.26 -0.33 0.20 2.07 -0.98 0.10 116.25 118.28 2d4r h VAL 142 Ca -0.02 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 2d4r h VAL 142 Cb 0.95 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2d4r h VAL 142 CO 0.06 0.42 0.07 0.25 0.02 0.00 0.00 177.57 178.39 2d4r h LEU 143 N 0.70 0.50 0.14 2.57 5.85 -1.49 -2.39 115.31 121.18 2d4r h LEU 143 Ca 0.11 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2d4r h LEU 143 Cb 0.66 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2d4r h LEU 143 CO 0.05 0.62 -0.10 0.00 -0.34 0.00 0.00 178.44 178.67 2d4r h ALA 144 N 0.90 -0.22 0.00 1.25 0.00 -0.89 -2.26 119.26 118.04 2d4r h ALA 144 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2d4r h ALA 144 Cb 0.32 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2d4r h ALA 144 CO 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.62 2d4r n ALA 145 N -2.25 1.82 1.35 0.00 0.00 0.28 -3.30 120.51 118.41 2d4r n ALA 145 Ca -0.08 -0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.43 2d4r n ALA 145 Cb 0.13 -1.27 0.49 0.00 0.00 0.00 0.00 19.45 18.81 2d4r n ALA 145 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2d4r n SER 146 N -1.41 0.83 -0.67 0.00 7.64 -0.85 -5.07 113.62 114.09 2d4r n SER 146 Ca 0.06 -0.83 0.13 0.00 1.01 0.00 0.00 58.87 59.24 2d4r n SER 146 Cb 0.17 0.04 0.36 0.00 -1.01 0.00 0.00 64.21 63.76 2d4r n SER 146 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79