#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 1.04 0.02 -0.52 8.01 -1.26 -2.13 118.70 123.86 2d4r s GLU 3 Ca 0.00 -0.79 -0.00 0.00 0.01 0.00 0.00 54.97 54.19 2d4r s GLU 3 Cb 0.00 -1.08 -0.02 0.00 -4.31 0.00 0.00 34.13 28.73 2d4r s GLU 3 CO 0.00 0.27 -0.02 0.08 0.01 0.00 0.00 175.26 175.60 2d4r s VAL 4 N -0.82 0.09 -0.08 2.63 1.01 -0.06 -5.02 120.40 118.15 2d4r s VAL 4 Ca 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2d4r s VAL 4 Cb -0.08 -0.22 0.03 0.00 0.00 0.00 0.00 36.38 36.11 2d4r s VAL 4 CO 0.01 -0.41 0.19 0.00 0.00 0.00 0.00 175.10 174.90 2d4r s ARG 5 N -1.19 0.19 0.10 2.72 3.03 -1.26 -0.27 118.95 122.27 2d4r s ARG 5 Ca -0.13 0.36 0.09 0.00 2.03 0.00 0.00 55.73 58.08 2d4r s ARG 5 Cb -0.08 -0.02 -0.04 0.00 -1.03 0.00 0.00 34.95 33.78 2d4r s ARG 5 CO -0.01 -0.09 -0.21 0.00 -1.13 0.00 0.00 175.30 173.86 2d4r s ALA 6 N 0.66 2.57 -0.03 7.88 0.00 -0.17 -4.99 121.76 127.67 2d4r s ALA 6 Ca -0.05 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 50.59 2d4r s ALA 6 Cb -0.06 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.47 2d4r s ALA 6 CO -0.04 0.57 -0.05 -2.00 0.00 0.00 0.00 175.76 174.25 2d4r s GLU 7 N -1.91 0.66 -0.13 0.00 2.12 -1.26 -1.08 118.70 117.10 2d4r s GLU 7 Ca 0.16 -0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.25 2d4r s GLU 7 Cb -0.10 -0.68 0.04 0.00 0.26 0.00 0.00 34.13 33.65 2d4r s GLU 7 CO 0.08 -0.00 0.34 0.50 -0.54 0.00 0.00 175.26 175.63 2d4r s ARG 8 N 0.53 0.38 -0.15 4.30 3.52 -0.20 -4.99 118.95 122.34 2d4r s ARG 8 Ca -0.07 0.51 -0.18 0.00 -0.13 0.00 0.00 55.73 55.86 2d4r s ARG 8 Cb -0.10 0.14 -0.04 0.00 -1.56 0.00 0.00 34.95 33.39 2d4r s ARG 8 CO -0.00 -0.07 0.50 1.52 -0.81 0.00 0.00 175.30 176.44 2d4r s TYR 9 N 0.41 3.46 -0.12 5.12 -0.00 -1.26 -0.26 117.35 124.70 2d4r s TYR 9 Ca -0.02 0.86 0.02 0.00 -0.00 0.00 0.00 57.07 57.93 2d4r s TYR 9 Cb -0.04 -2.61 0.01 0.00 -0.00 0.00 0.00 41.96 39.33 2d4r s TYR 9 CO -0.02 0.06 -0.17 0.42 -0.00 0.00 0.00 175.55 175.84 2d4r s ILE 10 N 1.03 1.62 -1.06 -3.49 1.01 0.76 -4.99 121.20 116.08 2d4r s ILE 10 Ca 0.26 -0.71 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 2d4r s ILE 10 Cb -0.15 -1.47 -0.10 0.00 0.01 0.00 0.00 42.46 40.74 2d4r s ILE 10 CO 0.10 0.47 1.92 -0.81 0.00 0.00 0.00 174.94 176.62 2d4r n PRO 11 N 4.23 1.66 -3.63 2.79 -0.04 -1.26 -1.20 135.00 137.55 2d4r n PRO 11 Ca -0.19 -2.32 -0.04 0.00 -0.04 0.00 0.00 63.50 60.91 2d4r n PRO 11 Cb 0.51 -3.46 -0.05 0.00 -0.04 0.00 0.00 33.50 30.46 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 8.76 -2.10 0.36 0.55 0.00 -1.26 -4.99 121.76 123.08 2d4r s ALA 12 Ca 0.64 1.78 -0.27 0.00 0.00 0.00 0.00 51.96 54.11 2d4r s ALA 12 Cb 0.04 -1.43 -0.12 0.00 0.00 0.00 0.00 23.12 21.62 2d4r s ALA 12 CO 0.13 -0.22 1.28 -0.35 0.00 0.00 0.00 175.76 176.60 2d4r n PRO 13 N 0.94 2.06 -0.34 0.00 -0.04 -1.26 -3.01 135.00 133.35 2d4r n PRO 13 Ca -0.05 0.72 0.20 0.00 -0.04 0.00 0.00 63.50 64.33 2d4r n PRO 13 Cb 0.58 -2.33 0.42 0.00 -0.04 0.00 0.00 33.50 32.12 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 2.41 0.44 -0.63 0.54 0.11 -1.91 0.21 132.00 133.17 2d4r h PRO 14 Ca -0.46 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2d4r h PRO 14 Cb 1.29 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 2d4r h PRO 14 CO 0.62 0.29 0.29 0.93 -0.21 0.00 0.00 178.00 179.91 2d4r h GLU 15 N 0.45 0.89 -0.06 1.05 4.39 -1.94 0.23 114.58 119.59 2d4r h GLU 15 Ca 0.68 -0.12 -0.13 0.00 0.34 0.00 0.00 59.36 60.13 2d4r h GLU 15 Cb 1.41 -0.17 0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2d4r h GLU 15 CO -0.54 0.70 -0.45 -0.09 -1.16 0.00 0.00 179.01 177.47 2d4r h ARG 16 N 0.89 0.42 -0.58 2.33 2.43 -1.34 -1.92 114.38 116.60 2d4r h ARG 16 Ca 0.22 -0.37 -0.07 0.00 -0.81 0.00 0.00 59.98 58.95 2d4r h ARG 16 Cb 0.11 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 2d4r h ARG 16 CO -0.03 1.01 0.08 0.28 -1.51 0.00 0.00 179.97 179.81 2d4r h VAL 17 N -0.05 1.26 -0.80 0.20 2.07 -1.16 -1.75 116.25 116.02 2d4r h VAL 17 Ca -0.04 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 2d4r h VAL 17 Cb 1.12 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 2d4r h VAL 17 CO 0.09 0.37 0.50 0.22 0.02 0.00 0.00 177.57 178.77 2d4r h TYR 18 N 0.88 1.05 -0.09 1.57 5.03 -0.55 -1.92 116.97 122.93 2d4r h TYR 18 Ca 0.18 0.00 -0.18 0.00 2.58 0.00 0.00 58.73 61.31 2d4r h TYR 18 Cb 0.44 -0.35 -0.00 0.00 1.55 0.00 0.00 36.73 38.37 2d4r h TYR 18 CO 0.03 0.69 -0.70 -0.09 -1.32 0.00 0.00 178.16 176.77 2d4r h ARG 19 N 1.10 0.43 0.00 1.82 9.65 -1.04 -2.47 114.38 123.86 2d4r h ARG 19 Ca 0.29 -0.33 -0.08 0.00 -1.10 0.00 0.00 59.98 58.75 2d4r h ARG 19 Cb -0.06 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 2d4r h ARG 19 CO -0.06 0.97 -0.39 -0.07 2.80 0.00 0.00 179.97 183.22 2d4r h LEU 20 N 0.30 0.00 -0.14 3.80 3.38 -1.14 -2.78 115.31 118.73 2d4r h LEU 20 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 2d4r h LEU 20 Cb 1.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.01 2d4r h LEU 20 CO 0.12 0.39 -0.39 0.00 0.09 0.00 0.00 178.44 178.65 2d4r h ALA 21 N 1.61 0.77 0.00 1.53 0.00 -1.13 -3.25 119.26 118.79 2d4r h ALA 21 Ca -0.00 -0.36 -0.18 0.00 0.00 0.00 0.00 54.91 54.36 2d4r h ALA 21 Cb 0.90 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2d4r h ALA 21 CO 0.05 0.49 -0.88 -0.22 0.00 0.00 0.00 179.25 178.69 2d4r h LYS 22 N 0.00 0.00 -5.85 0.00 3.64 -1.18 -3.34 116.57 109.84 2d4r h LYS 22 Ca -0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.70 2d4r h LYS 22 Cb 1.25 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 32.98 2d4r h LYS 22 CO 0.05 0.88 2.08 0.34 -2.27 0.00 0.00 179.45 180.54 2d4r s ASP 23 N -6.75 6.80 0.29 4.20 2.15 -1.11 -4.80 116.67 117.46 2d4r s ASP 23 Ca 0.00 -2.34 -0.02 0.00 0.43 0.00 0.00 52.55 50.62 2d4r s ASP 23 Cb 0.11 -2.57 0.43 0.00 -0.30 0.00 0.00 42.92 40.59 2d4r s ASP 23 CO 0.80 -1.20 1.91 -0.07 -0.17 0.00 0.00 175.17 176.44 2d4r h LEU 24 N 12.49 0.87 -0.94 -1.34 3.38 -1.82 -1.41 115.31 126.53 2d4r h LEU 24 Ca 0.41 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 58.19 2d4r h LEU 24 Cb 0.89 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2d4r h LEU 24 CO 1.45 0.72 -0.49 -0.33 0.09 0.00 0.00 178.44 179.87 2d4r h GLU 25 N 0.97 0.10 0.00 1.13 5.08 -1.87 -0.35 114.58 119.64 2d4r h GLU 25 Ca 0.24 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.48 2d4r h GLU 25 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2d4r h GLU 25 CO -0.04 0.57 -0.35 0.78 -1.00 0.00 0.00 179.01 178.97 2d4r h GLY 26 N 1.43 0.00 2.00 -3.84 0.00 -1.75 -3.05 103.07 97.86 2d4r h GLY 26 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.17 2d4r h GLY 26 CO 0.07 0.00 -0.78 -2.00 0.00 0.00 0.00 176.54 173.83 2d4r h LEU 27 N 0.00 0.00 -0.77 3.11 6.46 -0.23 -3.38 115.31 120.50 2d4r h LEU 27 Ca -0.00 0.00 0.12 0.00 -0.12 0.00 0.00 57.88 57.88 2d4r h LEU 27 Cb 1.07 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.92 2d4r h LEU 27 CO 0.05 0.78 0.38 0.50 -0.62 0.00 0.00 178.44 179.52 2d4r h LYS 28 N 0.00 0.58 0.00 1.25 3.64 -0.99 -1.28 116.57 119.77 2d4r h LYS 28 Ca -0.01 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2d4r h LYS 28 Cb 1.48 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2d4r h LYS 28 CO 0.10 0.38 0.00 -0.35 -2.27 0.00 0.00 179.45 177.31 2d4r n PRO 29 N -4.88 0.11 0.00 1.90 -0.04 -1.26 -1.65 135.00 129.18 2d4r n PRO 29 Ca 0.14 0.52 0.11 0.00 -0.04 0.00 0.00 63.50 64.23 2d4r n PRO 29 Cb 0.35 -1.81 0.07 0.00 -0.04 0.00 0.00 33.50 32.08 2d4r n PRO 29 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2d4r n TYR 30 N -2.04 0.00 -3.16 0.54 4.02 -0.48 -4.80 117.16 111.24 2d4r n TYR 30 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 57.90 57.44 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 -2.02 5.72 0.48 7.72 1.02 -0.66 -4.20 118.68 126.74 2d4r s LEU 31 Ca 0.24 -1.77 0.27 0.00 0.02 0.00 0.00 54.13 52.90 2d4r s LEU 31 Cb 0.19 -2.28 0.96 0.00 0.02 0.00 0.00 46.19 45.07 2d4r s LEU 31 CO 0.35 -0.98 1.83 0.07 0.02 0.00 0.00 176.35 177.64 2d4r h LYS 32 N 8.87 0.00 -0.05 1.70 -0.00 -1.87 -2.21 116.57 123.02 2d4r h LYS 32 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.47 2d4r h LYS 32 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.30 2d4r h LYS 32 CO 1.03 0.11 0.00 0.39 -0.00 0.00 0.00 179.45 180.98 2d4r n GLU 33 N -3.20 2.06 -4.01 0.07 1.02 -1.26 -4.82 120.64 110.49 2d4r n GLU 33 Ca 0.01 -1.54 -0.35 0.00 -0.02 0.00 0.00 57.16 55.26 2d4r n GLU 33 Cb 0.41 -1.47 -0.11 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 -1.96 4.52 -0.15 2.62 1.01 -0.83 -0.84 120.40 124.76 2d4r s VAL 34 Ca 0.33 -0.12 0.13 0.00 0.00 0.00 0.00 61.98 62.31 2d4r s VAL 34 Cb 0.20 -3.05 -0.24 0.00 0.00 0.00 0.00 36.38 33.30 2d4r s VAL 34 CO 0.31 0.43 0.24 1.21 0.00 0.00 0.00 175.10 177.29 2d4r n GLU 35 N 3.91 0.67 -3.69 2.72 2.13 0.36 -4.90 120.64 121.84 2d4r n GLU 35 Ca -0.17 0.13 -0.11 0.00 0.66 0.00 0.00 57.16 57.67 2d4r n GLU 35 Cb 0.52 -1.62 -0.11 0.00 0.27 0.00 0.00 31.44 30.50 2d4r n GLU 35 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 2d4r s SER 36 N -5.92 -0.38 -0.19 4.31 0.15 -0.99 -5.00 113.70 105.69 2d4r s SER 36 Ca -0.12 0.84 -0.03 0.00 0.70 0.00 0.00 55.95 57.34 2d4r s SER 36 Cb 0.07 0.82 0.06 0.00 -1.71 0.00 0.00 66.02 65.26 2d4r s SER 36 CO 0.80 -0.20 0.04 -0.22 1.20 0.00 0.00 173.24 174.86 2d4r s LEU 37 N 1.66 1.14 -0.13 3.45 0.20 -1.26 -0.44 118.68 123.29 2d4r s LEU 37 Ca -0.08 -0.81 0.02 0.00 0.69 0.00 0.00 54.13 53.95 2d4r s LEU 37 Cb -0.09 -0.58 0.00 0.00 -0.43 0.00 0.00 46.19 45.09 2d4r s LEU 37 CO -0.12 -0.31 -0.20 -1.61 -0.29 0.00 0.00 176.35 173.82 2d4r s GLU 38 N 1.87 3.10 -0.37 1.98 2.02 -0.71 -4.78 118.70 121.82 2d4r s GLU 38 Ca -0.01 -0.83 -0.29 0.00 0.02 0.00 0.00 54.97 53.87 2d4r s GLU 38 Cb -0.17 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.61 2d4r s GLU 38 CO -0.08 0.05 1.31 0.08 0.02 0.00 0.00 175.26 176.64 2d4r s VAL 39 N 0.67 4.08 -0.12 2.63 1.01 -1.26 -0.41 120.40 127.00 2d4r s VAL 39 Ca -0.10 1.17 0.16 0.00 0.00 0.00 0.00 61.98 63.21 2d4r s VAL 39 Cb -0.16 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 31.87 2d4r s VAL 39 CO 0.02 -0.65 0.95 0.58 0.00 0.00 0.00 175.10 175.99 2d4r h VAL 40 N 6.17 0.58 -2.71 2.92 2.07 -0.96 -3.47 116.25 120.86 2d4r h VAL 40 Ca -0.26 -2.05 -0.10 0.00 0.82 0.00 0.00 66.70 65.11 2d4r h VAL 40 Cb 1.09 2.12 -0.19 0.00 -1.52 0.00 0.00 31.29 32.78 2d4r h VAL 40 CO 1.07 0.33 -0.12 0.00 0.02 0.00 0.00 177.57 178.87 2d4r s ALA 41 N -2.93 -1.11 -0.08 1.67 0.00 -0.89 -4.97 121.76 113.46 2d4r s ALA 41 Ca -0.02 0.63 -0.09 0.00 0.00 0.00 0.00 51.96 52.49 2d4r s ALA 41 Cb 0.08 0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.30 2d4r s ALA 41 CO 0.80 -0.31 0.24 -0.98 0.00 0.00 0.00 175.76 175.51 2d4r s ARG 42 N -1.37 0.32 -0.30 0.00 1.70 -1.26 -0.86 118.95 117.19 2d4r s ARG 42 Ca -0.12 0.25 -0.04 0.00 -0.47 0.00 0.00 55.73 55.34 2d4r s ARG 42 Cb -0.03 0.15 0.17 0.00 -0.57 0.00 0.00 34.95 34.67 2d4r s ARG 42 CO 0.06 -0.05 0.63 -1.83 -1.08 0.00 0.00 175.30 173.03 2d4r s GLU 43 N -0.08 0.56 3.49 3.89 1.03 0.16 -4.99 118.70 122.76 2d4r s GLU 43 Ca -0.02 1.12 0.00 0.00 0.03 0.00 0.00 54.97 56.10 2d4r s GLU 43 Cb -0.02 0.64 0.00 0.00 -0.80 0.00 0.00 34.13 33.95 2d4r s GLU 43 CO 0.01 -0.47 0.00 0.41 -1.33 0.00 0.00 175.26 173.87 2d4r n GLY 44 N 5.43 1.41 0.18 -3.83 0.00 -1.26 0.14 105.19 107.26 2d4r n GLY 44 Ca -0.05 0.51 0.14 0.00 0.00 0.00 0.00 46.02 46.62 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 9.03 2.85 -2.65 4.61 0.00 -1.26 -4.92 120.51 128.17 2d4r n ALA 45 Ca 0.00 -0.32 -0.34 0.00 0.00 0.00 0.00 53.44 52.78 2d4r n ALA 45 Cb 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2d4r n ALA 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2d4r s ARG 46 N -2.44 2.88 0.04 0.00 1.81 0.12 0.13 118.95 121.49 2d4r s ARG 46 Ca 0.28 -0.55 0.08 0.00 -1.72 0.00 0.00 55.73 53.83 2d4r s ARG 46 Cb 0.20 -2.63 -0.03 0.00 -0.45 0.00 0.00 34.95 32.04 2d4r s ARG 46 CO 0.48 0.60 -0.22 0.99 -0.68 0.00 0.00 175.30 176.47 2d4r s THR 47 N -0.64 1.81 -0.10 0.02 2.01 -0.26 0.37 115.64 118.87 2d4r s THR 47 Ca 0.10 -1.25 0.01 0.00 0.31 0.00 0.00 61.69 60.86 2d4r s THR 47 Cb -0.12 -1.56 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 2d4r s THR 47 CO 0.02 0.26 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.48 2d4r s ARG 48 N -1.18 3.03 0.07 4.92 3.52 -0.04 -1.13 118.95 128.16 2d4r s ARG 48 Ca 0.09 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 2d4r s ARG 48 Cb -0.09 -2.55 -0.03 0.00 -1.56 0.00 0.00 34.95 30.72 2d4r s ARG 48 CO 0.02 0.40 -0.07 -1.54 -0.81 0.00 0.00 175.30 173.29 2d4r s SER 49 N -0.12 1.01 -0.24 -2.12 1.04 0.41 -0.24 113.70 113.44 2d4r s SER 49 Ca -0.01 -0.81 -0.03 0.00 0.48 0.00 0.00 55.95 55.58 2d4r s SER 49 Cb -0.14 0.07 0.01 0.00 0.10 0.00 0.00 66.02 66.07 2d4r s SER 49 CO 0.03 -0.35 -0.04 -0.60 0.98 0.00 0.00 173.24 173.26 2d4r s ARG 50 N -2.86 3.10 -0.03 4.02 3.52 0.45 0.07 118.95 127.22 2d4r s ARG 50 Ca 0.02 -0.81 -0.01 0.00 -0.13 0.00 0.00 55.73 54.80 2d4r s ARG 50 Cb -0.01 -3.03 -0.04 0.00 -1.56 0.00 0.00 34.95 30.31 2d4r s ARG 50 CO -0.03 -0.32 0.08 -1.58 -0.81 0.00 0.00 175.30 172.65 2d4r s TRP 51 N 1.41 3.31 -0.18 5.12 0.52 0.54 -1.73 118.94 127.94 2d4r s TRP 51 Ca 0.03 0.25 -0.02 0.00 0.02 0.00 0.00 56.10 56.38 2d4r s TRP 51 Cb -0.16 -1.77 0.05 0.00 -1.15 0.00 0.00 33.47 30.44 2d4r s TRP 51 CO -0.03 0.56 0.00 0.08 0.02 0.00 0.00 176.95 177.58 2d4r s VAL 52 N -1.14 0.76 0.21 4.03 1.01 0.42 -1.86 120.40 123.83 2d4r s VAL 52 Ca 0.21 -0.57 0.09 0.00 0.00 0.00 0.00 61.98 61.70 2d4r s VAL 52 Cb -0.12 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 2d4r s VAL 52 CO 0.11 -0.06 -0.04 0.00 0.00 0.00 0.00 175.10 175.11 2d4r s ALA 53 N 1.76 3.08 -0.10 5.51 0.00 -0.23 -0.49 121.76 131.29 2d4r s ALA 53 Ca -0.00 -1.51 0.02 0.00 0.00 0.00 0.00 51.96 50.46 2d4r s ALA 53 Cb -0.16 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2d4r s ALA 53 CO -0.07 0.40 -0.15 0.14 0.00 0.00 0.00 175.76 176.07 2d4r s VAL 54 N -1.93 2.87 -0.33 0.00 -7.23 -0.02 -0.66 120.40 113.09 2d4r s VAL 54 Ca 0.28 -0.75 0.17 0.00 -1.81 0.00 0.00 61.98 59.87 2d4r s VAL 54 Cb -0.08 -2.16 0.46 0.00 0.56 0.00 0.00 36.38 35.15 2d4r s VAL 54 CO 0.18 0.55 0.98 0.00 -0.31 0.00 0.00 175.10 176.49 2d4r n ALA 55 N 3.21 3.58 0.00 1.32 0.00 -1.26 -4.87 120.51 122.50 2d4r n ALA 55 Ca -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.01 2d4r n ALA 55 Cb 0.53 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -0.14 0.00 3.86 0.00 0.00 -1.26 -4.73 105.19 102.92 2d4r n GLY 57 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.32 3.19 0.16 1.61 2.36 -1.26 -5.11 119.74 119.36 2d4r s LYS 58 Ca 0.00 -0.57 -0.10 0.00 -2.55 0.00 0.00 55.97 52.75 2d4r s LYS 58 Cb 0.00 -2.89 -0.06 0.00 -1.05 0.00 0.00 37.83 33.83 2d4r s LYS 58 CO 0.00 0.58 0.48 -1.59 1.55 0.00 0.00 175.35 176.37 2d4r s LYS 59 N -2.53 3.80 -0.13 4.03 -2.85 -1.26 -4.63 119.74 116.17 2d4r s LYS 59 Ca 0.32 0.24 0.03 0.00 -1.00 0.00 0.00 55.97 55.56 2d4r s LYS 59 Cb -0.12 -2.84 0.01 0.00 -2.06 0.00 0.00 37.83 32.81 2d4r s LYS 59 CO 0.25 0.44 -0.22 0.08 0.10 0.00 0.00 175.35 176.01 2d4r s VAL 60 N -1.60 2.02 -0.07 1.79 1.01 0.16 -4.98 120.40 118.73 2d4r s VAL 60 Ca 0.40 -0.97 0.06 0.00 0.00 0.00 0.00 61.98 61.47 2d4r s VAL 60 Cb -0.13 -1.77 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2d4r s VAL 60 CO 0.20 0.54 -0.25 -0.13 0.00 0.00 0.00 175.10 175.47 2d4r s ARG 61 N 0.68 2.67 0.11 2.72 0.52 -1.26 -1.07 118.95 123.32 2d4r s ARG 61 Ca -0.11 -0.90 -0.12 0.00 -0.52 0.00 0.00 55.73 54.09 2d4r s ARG 61 Cb -0.16 -2.20 0.02 0.00 0.52 0.00 0.00 34.95 33.12 2d4r s ARG 61 CO 0.01 0.34 0.29 1.67 0.02 0.00 0.00 175.30 177.63 2d4r s TRP 62 N -0.05 -0.02 -0.05 -0.53 -2.14 -0.78 -0.55 118.94 114.81 2d4r s TRP 62 Ca -0.07 -0.36 -0.05 0.00 2.66 0.00 0.00 56.10 58.29 2d4r s TRP 62 Cb -0.15 0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.28 2d4r s TRP 62 CO 0.05 -0.62 0.17 -0.51 -2.66 0.00 0.00 176.95 173.38 2d4r s LEU 63 N -2.83 4.38 -0.05 -4.66 1.43 -0.18 -0.34 118.68 116.43 2d4r s LEU 63 Ca 0.04 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2d4r s LEU 63 Cb 0.03 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.87 2d4r s LEU 63 CO -0.12 0.32 -0.08 -0.70 0.23 0.00 0.00 176.35 176.01 2d4r s GLU 64 N -1.57 1.10 -0.23 1.70 2.12 0.11 -3.87 118.70 118.06 2d4r s GLU 64 Ca 0.22 -0.24 -0.09 0.00 0.36 0.00 0.00 54.97 55.23 2d4r s GLU 64 Cb -0.12 -1.00 -0.04 0.00 0.26 0.00 0.00 34.13 33.22 2d4r s GLU 64 CO 0.13 -0.01 0.11 -1.21 -0.54 0.00 0.00 175.26 173.74 2d4r s GLU 65 N 0.67 3.89 -0.10 4.30 0.41 0.83 -0.44 118.70 128.26 2d4r s GLU 65 Ca -0.11 -0.36 0.02 0.00 -0.41 0.00 0.00 54.97 54.10 2d4r s GLU 65 Cb -0.14 -3.41 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 2d4r s GLU 65 CO 0.01 -0.01 -0.15 -1.83 -0.49 0.00 0.00 175.26 172.80 2d4r s GLU 66 N 1.18 3.07 -0.24 1.61 1.03 -0.28 -0.95 118.70 124.11 2d4r s GLU 66 Ca 0.06 -0.72 -0.10 0.00 0.03 0.00 0.00 54.97 54.24 2d4r s GLU 66 Cb -0.14 -2.51 -0.04 0.00 -0.80 0.00 0.00 34.13 30.63 2d4r s GLU 66 CO 0.04 0.33 0.14 -1.21 -1.33 0.00 0.00 175.26 173.23 2d4r s GLU 67 N 0.03 3.95 -0.20 -4.83 2.02 0.25 -1.10 118.70 118.83 2d4r s GLU 67 Ca -0.05 -0.33 -0.08 0.00 0.02 0.00 0.00 54.97 54.52 2d4r s GLU 67 Cb -0.15 -3.49 -0.04 0.00 0.10 0.00 0.00 34.13 30.55 2d4r s GLU 67 CO 0.04 -0.02 0.09 -1.58 0.02 0.00 0.00 175.26 173.82 2d4r s TRP 68 N 1.25 3.28 -0.65 1.61 0.52 0.35 -0.55 118.94 124.75 2d4r s TRP 68 Ca 0.06 0.12 -0.09 0.00 0.02 0.00 0.00 56.10 56.21 2d4r s TRP 68 Cb -0.14 -2.13 0.17 0.00 -1.15 0.00 0.00 33.47 30.21 2d4r s TRP 68 CO 0.06 0.14 0.53 0.34 0.02 0.00 0.00 176.95 178.04 2d4r s ASP 69 N 0.53 5.95 0.28 2.95 -1.08 0.77 -4.67 116.67 121.41 2d4r s ASP 69 Ca 0.05 -2.48 0.03 0.00 -0.52 0.00 0.00 52.55 49.63 2d4r s ASP 69 Cb -0.12 -2.04 0.41 0.00 -1.46 0.00 0.00 42.92 39.71 2d4r s ASP 69 CO 0.00 -0.56 1.72 0.44 0.52 0.00 0.00 175.17 177.29 2d4r h ASP 70 N 7.79 0.46 0.15 -0.34 3.32 -1.97 -0.69 116.42 125.14 2d4r h ASP 70 Ca -0.04 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 2d4r h ASP 70 Cb 1.02 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2d4r h ASP 70 CO 0.79 0.73 -0.10 -0.33 -1.72 0.00 0.00 179.24 178.60 2d4r h GLU 71 N 0.40 -0.24 -0.48 3.56 3.07 -1.95 -3.26 114.58 115.69 2d4r h GLU 71 Ca 0.06 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2d4r h GLU 71 Cb 0.69 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 2d4r h GLU 71 CO 0.05 -0.16 0.00 0.27 -1.40 0.00 0.00 179.01 177.77 2d4r n ASN 72 N -5.21 3.43 -3.39 1.42 6.94 -1.18 -4.98 115.26 112.27 2d4r n ASN 72 Ca -0.08 -1.96 -0.17 0.00 -0.02 0.00 0.00 54.58 52.35 2d4r n ASN 72 Cb 0.14 -0.31 0.09 0.00 -2.36 0.00 0.00 39.78 37.33 2d4r n ASN 72 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2d4r n LEU 73 N 1.29 -3.92 -4.23 -4.53 4.77 -0.29 -4.82 117.00 105.26 2d4r n LEU 73 Ca 0.19 -0.60 -0.13 0.00 -0.03 0.00 0.00 56.01 55.44 2d4r n LEU 73 Cb 0.55 -3.06 -0.10 0.00 -2.33 0.00 0.00 43.42 38.48 2d4r n LEU 73 CO 0.14 0.40 -0.37 -0.13 -1.33 0.00 0.00 177.39 176.10 2d4r s ARG 74 N -5.44 1.03 0.03 3.23 0.52 -1.04 -2.35 118.95 114.93 2d4r s ARG 74 Ca 0.07 -1.46 -0.00 0.00 -0.52 0.00 0.00 55.73 53.81 2d4r s ARG 74 Cb -0.03 -0.39 -0.02 0.00 0.52 0.00 0.00 34.95 35.03 2d4r s ARG 74 CO 0.71 -0.03 -0.03 0.54 0.02 0.00 0.00 175.30 176.52 2d4r s ASN 75 N -3.14 0.29 0.03 0.23 4.22 0.45 -0.16 114.94 116.85 2d4r s ASN 75 Ca 0.18 -0.60 0.07 0.00 -2.14 0.00 0.00 52.86 50.38 2d4r s ASN 75 Cb 0.05 0.12 -0.02 0.00 1.28 0.00 0.00 41.25 42.68 2d4r s ASN 75 CO 0.01 -0.36 -0.21 -0.60 -2.04 0.00 0.00 177.10 173.90 2d4r s ARG 76 N -1.96 1.44 0.03 3.55 3.52 0.29 -2.17 118.95 123.65 2d4r s ARG 76 Ca -0.11 -0.89 -0.00 0.00 -0.13 0.00 0.00 55.73 54.60 2d4r s ARG 76 Cb -0.06 -1.52 -0.03 0.00 -1.56 0.00 0.00 34.95 31.78 2d4r s ARG 76 CO -0.03 0.39 -0.03 -0.59 -0.81 0.00 0.00 175.30 174.24 2d4r s PHE 77 N -0.72 0.34 0.02 5.12 -0.71 -0.69 0.86 117.98 122.19 2d4r s PHE 77 Ca 0.07 -0.70 -0.19 0.00 -1.04 0.00 0.00 56.93 55.07 2d4r s PHE 77 Cb -0.09 -0.25 0.04 0.00 -1.21 0.00 0.00 43.02 41.51 2d4r s PHE 77 CO 0.01 -0.25 0.43 -0.59 -1.34 0.00 0.00 175.22 173.48 2d4r s PHE 78 N -2.25 -0.31 -0.28 3.49 -0.71 -0.13 -1.57 117.98 116.21 2d4r s PHE 78 Ca -0.09 0.38 -0.09 0.00 -1.04 0.00 0.00 56.93 56.10 2d4r s PHE 78 Cb -0.04 0.23 -0.02 0.00 -1.21 0.00 0.00 43.02 41.97 2d4r s PHE 78 CO -0.04 -0.54 0.12 0.45 -1.34 0.00 0.00 175.22 173.87 2d4r s SER 79 N -1.74 5.43 0.27 1.98 0.15 0.78 -0.12 113.70 120.46 2d4r s SER 79 Ca -0.08 -0.32 0.24 0.00 0.70 0.00 0.00 55.95 56.49 2d4r s SER 79 Cb -0.02 -1.98 0.37 0.00 -1.71 0.00 0.00 66.02 62.68 2d4r s SER 79 CO 0.01 -0.10 1.46 1.55 1.20 0.00 0.00 173.24 177.36 2d4r h PRO 80 N 8.30 0.00 -2.16 5.44 0.13 -1.91 -3.41 132.00 138.39 2d4r h PRO 80 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2d4r h PRO 80 Cb 1.16 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.12 2d4r h PRO 80 CO 0.59 0.00 0.31 -1.83 -0.23 0.00 0.00 178.00 176.84 2d4r s GLU 81 N -3.21 0.98 0.00 0.86 -1.05 -1.26 -5.09 118.70 109.93 2d4r s GLU 81 Ca 0.06 0.01 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 2d4r s GLU 81 Cb 0.09 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.24 2d4r s GLU 81 CO 0.69 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.96 2d4r n GLY 82 N 0.44 0.73 0.13 -3.83 0.00 -1.26 -1.01 105.19 100.39 2d4r n GLY 82 Ca -0.15 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.72 1.61 3.45 -1.22 -3.45 116.42 113.09 2d4r h ASP 83 Ca 0.00 0.00 -0.49 0.00 0.43 0.00 0.00 57.03 56.97 2d4r h ASP 83 Cb 0.00 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 38.74 2d4r h ASP 83 CO 0.00 0.58 0.20 -0.36 -1.57 0.00 0.00 179.24 178.09 2d4r s PHE 84 N -2.97 3.63 0.21 4.55 0.40 -1.26 -4.75 117.98 117.79 2d4r s PHE 84 Ca 0.03 1.53 0.01 0.00 -0.60 0.00 0.00 56.93 57.90 2d4r s PHE 84 Cb 0.08 -2.73 0.16 0.00 0.51 0.00 0.00 43.02 41.03 2d4r s PHE 84 CO 0.75 0.25 1.51 -0.44 0.70 0.00 0.00 175.22 177.99 2d4r h ASP 85 N 3.18 0.40 -3.47 1.36 3.32 -1.04 -3.45 116.42 116.72 2d4r h ASP 85 Ca -0.48 -0.24 -0.23 0.00 0.02 0.00 0.00 57.03 56.11 2d4r h ASP 85 Cb 1.19 -0.12 -0.31 0.00 0.22 0.00 0.00 39.33 40.32 2d4r h ASP 85 CO 0.65 0.94 -0.57 -0.13 -1.72 0.00 0.00 179.24 178.41 2d4r s ARG 86 N -3.75 0.12 -0.28 3.56 0.52 -1.01 -4.91 118.95 113.21 2d4r s ARG 86 Ca -0.05 0.38 0.01 0.00 -0.52 0.00 0.00 55.73 55.55 2d4r s ARG 86 Cb 0.11 -0.13 0.16 0.00 0.52 0.00 0.00 34.95 35.61 2d4r s ARG 86 CO 0.82 -0.15 0.42 -0.47 0.02 0.00 0.00 175.30 175.95 2d4r s TYR 87 N 1.04 -1.06 0.20 -0.53 5.04 -1.25 0.20 117.35 120.99 2d4r s TYR 87 Ca -0.08 0.53 -0.21 0.00 -2.44 0.00 0.00 57.07 54.87 2d4r s TYR 87 Cb -0.10 -0.06 0.05 0.00 0.35 0.00 0.00 41.96 42.20 2d4r s TYR 87 CO -0.06 -0.94 0.63 -1.83 -1.34 0.00 0.00 175.55 172.01 2d4r s GLU 88 N 2.58 1.46 0.00 4.97 -1.05 -0.50 -0.15 118.70 126.00 2d4r s GLU 88 Ca 0.11 -0.70 0.00 0.00 -0.15 0.00 0.00 54.97 54.23 2d4r s GLU 88 Cb -0.13 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2d4r s GLU 88 CO -0.27 -0.65 0.00 0.41 0.95 0.00 0.00 175.26 175.70 2d4r n GLY 89 N -0.40 -0.52 3.01 -3.83 0.00 -0.61 0.10 105.19 102.93 2d4r n GLY 89 Ca -0.12 -0.90 -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 -3.25 0.04 -0.19 2.61 -4.23 -0.63 -1.70 115.64 108.29 2d4r s THR 90 Ca 0.00 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.09 2d4r s THR 90 Cb 0.00 -0.24 -0.03 0.00 1.34 0.00 0.00 72.50 73.56 2d4r s THR 90 CO 0.00 -0.20 0.03 0.26 -0.54 0.00 0.00 174.62 174.17 2d4r s TRP 91 N -0.62 3.13 0.06 3.99 0.52 -0.92 -1.35 118.94 123.74 2d4r s TRP 91 Ca -0.07 -0.19 0.06 0.00 0.02 0.00 0.00 56.10 55.92 2d4r s TRP 91 Cb -0.04 -2.08 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 2d4r s TRP 91 CO 0.00 -0.05 -0.17 0.14 0.02 0.00 0.00 176.95 176.89 2d4r s VAL 92 N 0.71 1.32 -0.27 4.03 -7.23 -0.42 -0.41 120.40 118.14 2d4r s VAL 92 Ca 0.02 -1.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2d4r s VAL 92 Cb -0.14 -1.21 0.07 0.00 0.56 0.00 0.00 36.38 35.67 2d4r s VAL 92 CO 0.02 -0.04 -0.04 -0.36 -0.31 0.00 0.00 175.10 174.37 2d4r s PHE 93 N -1.02 2.84 -0.07 2.82 0.40 -0.99 -1.35 117.98 120.60 2d4r s PHE 93 Ca 0.02 -2.14 -0.01 0.00 -0.60 0.00 0.00 56.93 54.21 2d4r s PHE 93 Cb -0.09 -1.92 -0.03 0.00 0.51 0.00 0.00 43.02 41.49 2d4r s PHE 93 CO 0.02 -0.84 -0.00 -0.51 0.70 0.00 0.00 175.22 174.59 2d4r s LEU 94 N 1.24 3.54 0.19 -0.37 1.43 -0.09 -4.91 118.68 119.71 2d4r s LEU 94 Ca -0.03 0.11 -0.30 0.00 -1.03 0.00 0.00 54.13 52.88 2d4r s LEU 94 Cb -0.19 -1.84 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 2d4r s LEU 94 CO -0.07 0.36 1.22 -2.16 0.23 0.00 0.00 176.35 175.93 2d4r s PRO 95 N -0.97 4.48 -0.23 1.29 0.04 -1.26 0.12 135.00 138.47 2d4r s PRO 95 Ca 0.14 1.91 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 2d4r s PRO 95 Cb -0.11 -3.23 0.12 0.00 0.04 0.00 0.00 34.50 31.32 2d4r s PRO 95 CO 0.03 -0.11 0.39 -2.00 0.04 0.00 0.00 177.00 175.36 2d4r s GLU 96 N -0.29 0.35 -1.58 4.56 2.12 -0.90 -4.78 118.70 118.18 2d4r s GLU 96 Ca 0.53 0.67 -0.14 0.00 0.36 0.00 0.00 54.97 56.40 2d4r s GLU 96 Cb -0.33 -0.24 0.10 0.00 0.26 0.00 0.00 34.13 33.91 2d4r s GLU 96 CO 0.37 -0.55 0.85 0.41 -0.54 0.00 0.00 175.26 175.80 2d4r n GLY 97 N 5.37 -0.44 3.85 -1.50 0.00 -1.26 0.19 105.19 111.41 2d4r n GLY 97 Ca -0.05 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 2d4r n GLY 97 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2d4r n GLU 98 N -4.53 -4.16 0.00 1.61 4.07 -1.26 -4.99 120.64 111.38 2d4r n GLU 98 Ca 0.00 0.51 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 2d4r n GLU 98 Cb 0.54 -4.91 0.00 0.00 -0.06 0.00 0.00 31.44 27.01 2d4r n GLU 98 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2d4r n GLY 99 N -1.76 4.55 3.03 8.31 0.00 0.51 -4.56 105.19 115.28 2d4r n GLY 99 Ca -0.27 -1.01 -0.23 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.60 1.04 -0.45 2.61 2.01 -0.34 -2.13 115.64 117.79 2d4r s THR 100 Ca 0.00 -0.47 -0.16 0.00 0.31 0.00 0.00 61.69 61.37 2d4r s THR 100 Cb 0.00 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.62 2d4r s THR 100 CO 0.00 0.32 0.41 -0.13 -0.69 0.00 0.00 174.62 174.53 2d4r s ARG 101 N 0.35 3.02 -0.13 4.92 1.81 0.12 -0.17 118.95 128.86 2d4r s ARG 101 Ca -0.08 -1.08 -0.17 0.00 -1.72 0.00 0.00 55.73 52.68 2d4r s ARG 101 Cb -0.12 -4.05 -0.04 0.00 -0.45 0.00 0.00 34.95 30.29 2d4r s ARG 101 CO 0.02 -0.94 0.44 0.08 -0.68 0.00 0.00 175.30 174.22 2d4r s VAL 102 N 1.88 5.21 -0.14 3.52 1.01 0.64 -0.91 120.40 131.60 2d4r s VAL 102 Ca 0.07 0.86 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2d4r s VAL 102 Cb -0.21 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.41 2d4r s VAL 102 CO 0.10 0.33 -0.21 -0.69 0.00 0.00 0.00 175.10 174.62 2d4r s VAL 103 N 0.66 2.10 -0.18 2.92 1.01 -0.45 -1.03 120.40 125.42 2d4r s VAL 103 Ca 0.24 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.26 2d4r s VAL 103 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.41 2d4r s VAL 103 CO 0.09 0.55 -0.20 -0.22 0.00 0.00 0.00 175.10 175.32 2d4r s LEU 104 N 0.85 2.16 -0.10 3.92 0.20 -0.24 -1.30 118.68 124.17 2d4r s LEU 104 Ca -0.06 -0.64 0.04 0.00 0.69 0.00 0.00 54.13 54.16 2d4r s LEU 104 Cb -0.15 -1.49 -0.00 0.00 -0.43 0.00 0.00 46.19 44.12 2d4r s LEU 104 CO -0.03 0.01 -0.22 0.42 -0.29 0.00 0.00 176.35 176.24 2d4r s THR 105 N 1.26 2.25 -0.12 3.68 -4.23 -0.46 -1.00 115.64 117.01 2d4r s THR 105 Ca 0.04 -0.96 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2d4r s THR 105 Cb -0.13 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.87 2d4r s THR 105 CO -0.12 0.56 -0.04 -0.22 -0.54 0.00 0.00 174.62 174.26 2d4r s LEU 106 N 0.27 1.11 -0.20 4.79 2.96 0.63 -1.60 118.68 126.64 2d4r s LEU 106 Ca -0.15 -0.37 -0.07 0.00 -0.22 0.00 0.00 54.13 53.32 2d4r s LEU 106 Cb -0.17 -0.72 -0.04 0.00 0.50 0.00 0.00 46.19 45.76 2d4r s LEU 106 CO 0.08 -0.17 0.06 0.28 -1.32 0.00 0.00 176.35 175.28 2d4r s THR 107 N 1.78 4.61 0.07 3.68 -1.32 0.11 -0.88 115.64 123.70 2d4r s THR 107 Ca 0.04 -0.09 0.02 0.00 -1.21 0.00 0.00 61.69 60.45 2d4r s THR 107 Cb -0.13 -3.10 -0.03 0.00 -1.51 0.00 0.00 72.50 67.73 2d4r s THR 107 CO -0.07 0.43 -0.08 -0.72 -2.21 0.00 0.00 174.62 171.96 2d4r s TYR 108 N 0.72 0.85 -0.04 9.09 -0.85 -0.91 -1.42 117.35 124.80 2d4r s TYR 108 Ca 0.03 -0.67 -0.00 0.00 -0.52 0.00 0.00 57.07 55.91 2d4r s TYR 108 Cb -0.13 -0.49 0.03 0.00 0.38 0.00 0.00 41.96 41.74 2d4r s TYR 108 CO 0.02 -0.08 0.01 -2.00 -1.52 0.00 0.00 175.55 171.98 2d4r s GLU 109 N -2.61 0.36 -0.24 -3.49 2.12 0.13 -2.68 118.70 112.30 2d4r s GLU 109 Ca 0.01 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.47 2d4r s GLU 109 Cb -0.03 -0.65 0.06 0.00 0.26 0.00 0.00 34.13 33.77 2d4r s GLU 109 CO -0.01 -0.21 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.29 2d4r s LEU 110 N 1.47 2.60 -0.11 2.70 2.96 -1.26 -0.42 118.68 126.63 2d4r s LEU 110 Ca -0.03 -1.23 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 2d4r s LEU 110 Cb -0.13 -1.16 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 2d4r s LEU 110 CO -0.03 -0.25 1.08 0.42 -1.32 0.00 0.00 176.35 176.25 2d4r s THR 111 N 1.40 4.60 -0.19 3.68 -4.23 -1.26 -5.01 115.64 114.63 2d4r s THR 111 Ca -0.04 1.89 0.01 0.00 -1.18 0.00 0.00 61.69 62.37 2d4r s THR 111 Cb -0.19 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.47 2d4r s THR 111 CO -0.07 -0.02 -0.16 -0.63 -0.54 0.00 0.00 174.62 173.20 2d4r s ILE 112 N 2.25 1.90 0.26 2.99 1.01 -1.26 -5.06 121.20 123.29 2d4r s ILE 112 Ca 0.50 -0.99 -0.31 0.00 0.00 0.00 0.00 60.65 59.86 2d4r s ILE 112 Cb -0.20 -1.81 -0.12 0.00 0.01 0.00 0.00 42.46 40.34 2d4r s ILE 112 CO 0.18 0.38 1.63 -2.65 0.00 0.00 0.00 174.94 174.47 2d4r n PRO 113 N 4.64 2.69 0.00 2.79 -0.02 -1.26 -2.99 135.00 140.84 2d4r n PRO 113 Ca -0.18 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2d4r n PRO 113 Cb 0.48 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.20 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 2.71 0.00 -1.35 4.25 5.41 -1.26 -4.57 119.36 124.54 2d4r n ILE 114 Ca 0.11 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.77 2d4r n ILE 114 Cb 0.36 0.00 0.20 0.00 -0.71 0.00 0.00 39.64 39.49 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 1.66 0.00 1.39 3.72 -1.23 -4.72 117.46 118.28 2d4r n PHE 115 Ca 0.00 -1.61 0.00 0.00 -0.05 0.00 0.00 57.45 55.79 2d4r n PHE 115 Cb 0.00 -0.61 0.00 0.00 -0.94 0.00 0.00 39.48 37.93 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 -1.05 -0.26 0.00 1.37 0.00 -1.16 -2.33 105.19 101.75 2d4r n GLY 116 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.42 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 -1.23 0.00 0.34 -0.02 0.00 -1.26 -4.37 105.19 98.64 2d4r n GLY 117 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2d4r n GLY 117 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2d4r h LEU 118 N 0.00 0.00 -0.42 0.99 5.85 -1.80 -3.06 115.31 116.87 2d4r h LEU 118 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2d4r h LEU 118 Cb 0.57 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.60 2d4r h LEU 118 CO 0.00 0.00 0.00 0.18 -0.34 0.00 0.00 178.44 178.28 2d4r n LEU 119 N -3.14 0.42 0.14 2.25 4.77 -1.14 -4.79 117.00 115.49 2d4r n LEU 119 Ca -0.02 -0.60 -0.14 0.00 -0.03 0.00 0.00 56.01 55.22 2d4r n LEU 119 Cb 0.23 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.25 2d4r n LEU 119 CO 0.19 0.10 0.60 -0.09 -1.33 0.00 0.00 177.39 176.86 2d4r h ARG 120 N 0.00 -0.64 -0.56 3.23 2.43 -1.73 0.34 114.38 117.45 2d4r h ARG 120 Ca 0.00 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2d4r h ARG 120 Cb 0.06 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.72 2d4r h ARG 120 CO 0.00 -0.43 0.33 -0.22 -1.51 0.00 0.00 179.97 178.14 2d4r h LYS 121 N -0.66 0.75 0.56 0.20 1.63 -1.88 -1.53 116.57 115.64 2d4r h LYS 121 Ca 0.01 -0.06 -0.03 0.00 -0.85 0.00 0.00 60.65 59.72 2d4r h LYS 121 Cb 0.67 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.15 2d4r h LYS 121 CO -0.21 0.53 -0.27 1.25 -3.45 0.00 0.00 179.45 177.30 2d4r h LEU 122 N 0.76 -0.64 -1.05 5.20 5.85 -1.67 -2.10 115.31 121.66 2d4r h LEU 122 Ca 0.20 -0.04 0.39 0.00 0.84 0.00 0.00 57.88 59.27 2d4r h LEU 122 Cb -0.03 0.17 -0.16 0.00 0.37 0.00 0.00 40.66 41.01 2d4r h LEU 122 CO -0.04 -0.29 0.59 0.58 -0.34 0.00 0.00 178.44 178.94 2d4r h VAL 123 N -1.02 0.10 0.00 1.05 2.07 -0.06 0.22 116.25 118.61 2d4r h VAL 123 Ca -0.08 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2d4r h VAL 123 Cb 0.65 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2d4r h VAL 123 CO 0.13 0.02 -0.35 -0.61 0.02 0.00 0.00 177.57 176.77 2d4r h GLN 124 N 0.10 0.00 -0.28 1.57 4.15 -0.92 -2.79 115.11 116.96 2d4r h GLN 124 Ca 0.81 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 60.10 2d4r h GLN 124 Cb 2.13 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 29.81 2d4r h GLN 124 CO -0.68 0.35 -0.35 -0.22 -1.93 0.00 0.00 178.83 176.00 2d4r h LYS 125 N 0.00 0.72 -0.36 1.69 3.64 0.09 -1.51 116.57 120.84 2d4r h LYS 125 Ca -0.00 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 2d4r h LYS 125 Cb 1.14 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 2d4r h LYS 125 CO 0.05 1.03 0.00 1.28 -2.27 0.00 0.00 179.45 179.54 2d4r n LEU 126 N -4.21 0.02 0.00 5.20 4.32 -0.84 -1.22 117.00 120.27 2d4r n LEU 126 Ca -0.04 -0.01 0.00 0.00 -0.02 0.00 0.00 56.01 55.94 2d4r n LEU 126 Cb 0.51 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 42.30 2d4r n LEU 126 CO 0.46 0.01 0.00 0.00 -1.22 0.00 0.00 177.39 176.63 2d4r n GLN 128 N 0.58 0.00 -0.12 3.23 1.13 -0.57 -0.26 117.38 121.37 2d4r n GLN 128 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 2d4r n GLN 128 Cb 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.35 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 0.93 0.00 -1.09 4.39 -1.43 -2.35 114.58 115.03 2d4r h GLU 129 Ca 0.00 -0.47 0.02 0.00 0.34 0.00 0.00 59.36 59.25 2d4r h GLU 129 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2d4r h GLU 129 CO 0.00 1.13 -0.09 -0.91 -1.16 0.00 0.00 179.01 177.97 2d4r h ASN 130 N 0.77 -0.26 -0.29 1.42 4.21 -0.88 0.49 115.58 121.04 2d4r h ASN 130 Ca 0.07 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.54 2d4r h ASN 130 Cb 0.93 0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.24 2d4r h ASN 130 CO 0.09 -0.13 -0.14 -0.37 -1.29 0.00 0.00 177.43 175.58 2d4r h VAL 131 N -0.16 1.29 -0.51 2.81 -1.51 -1.81 0.12 116.25 116.49 2d4r h VAL 131 Ca 0.04 -1.24 0.07 0.00 -1.23 0.00 0.00 66.70 64.33 2d4r h VAL 131 Cb 0.20 1.48 -0.06 0.00 -2.13 0.00 0.00 31.29 30.79 2d4r h VAL 131 CO -0.09 0.40 0.19 -0.33 -1.23 0.00 0.00 177.57 176.51 2d4r h GLU 132 N 0.36 0.37 -0.70 5.19 5.08 -1.32 -0.68 114.58 122.88 2d4r h GLU 132 Ca 0.06 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2d4r h GLU 132 Cb 0.66 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.80 2d4r h GLU 132 CO 0.04 0.24 0.46 1.03 -1.00 0.00 0.00 179.01 179.79 2d4r h SER 133 N 0.38 0.78 -0.50 1.42 0.87 0.39 -0.61 113.55 116.27 2d4r h SER 133 Ca 0.24 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 2d4r h SER 133 Cb 0.25 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2d4r h SER 133 CO -0.24 0.56 0.24 -0.07 -0.53 0.00 0.00 176.83 176.79 2d4r h LEU 134 N 0.92 0.65 -0.69 2.23 4.07 0.65 -1.35 115.31 121.79 2d4r h LEU 134 Ca 0.26 -0.13 -0.12 0.00 0.08 0.00 0.00 57.88 57.97 2d4r h LEU 134 Cb -0.06 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.50 2d4r h LEU 134 CO -0.06 0.60 -0.33 -0.07 -1.08 0.00 0.00 178.44 177.49 2d4r h LEU 135 N 0.66 0.66 -0.14 1.67 3.38 -0.92 -2.36 115.31 118.26 2d4r h LEU 135 Ca 0.17 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.90 2d4r h LEU 135 Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 2d4r h LEU 135 CO -0.02 0.94 -0.02 0.50 0.09 0.00 0.00 178.44 179.93 2d4r h LYS 136 N 0.54 0.02 -0.51 1.13 1.63 -0.76 -1.87 116.57 116.74 2d4r h LYS 136 Ca 0.06 -0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2d4r h LYS 136 Cb 0.83 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.44 2d4r h LYS 136 CO 0.07 0.01 0.22 0.78 -3.45 0.00 0.00 179.45 177.08 2d4r h GLY 137 N 0.02 0.81 0.40 5.01 0.00 -1.12 -1.55 103.07 106.64 2d4r h GLY 137 Ca 0.07 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.08 2d4r h GLY 137 CO -0.14 0.40 0.37 -2.00 0.00 0.00 0.00 176.54 175.18 2d4r h LEU 138 N 0.68 0.48 0.17 3.11 5.85 -1.25 0.19 115.31 124.54 2d4r h LEU 138 Ca 0.17 0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2d4r h LEU 138 Cb 0.17 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2d4r h LEU 138 CO -0.02 0.25 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.87 2d4r h GLU 139 N 0.61 -0.63 -0.43 1.25 4.22 -0.49 0.25 114.58 119.36 2d4r h GLU 139 Ca 0.38 0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.94 2d4r h GLU 139 Cb 0.44 0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.76 2d4r h GLU 139 CO -0.29 -0.42 0.01 0.93 -2.18 0.00 0.00 179.01 177.06 2d4r h GLU 140 N -0.65 0.12 -0.46 1.92 5.08 -0.65 0.08 114.58 120.03 2d4r h GLU 140 Ca 0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 2d4r h GLU 140 Cb 0.66 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.81 2d4r h GLU 140 CO -0.20 0.08 0.00 -0.09 -1.00 0.00 0.00 179.01 177.80 2d4r h ARG 141 N 0.12 0.11 -0.45 2.33 9.65 -0.08 0.66 114.38 126.72 2d4r h ARG 141 Ca 0.21 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 58.96 2d4r h ARG 141 Cb 0.30 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 2d4r h ARG 141 CO -0.35 0.07 -0.23 0.28 2.80 0.00 0.00 179.97 182.55 2d4r h VAL 142 N 0.11 1.27 0.00 0.20 2.07 -0.48 -1.18 116.25 118.25 2d4r h VAL 142 Ca 0.23 -1.38 -0.11 0.00 0.82 0.00 0.00 66.70 66.26 2d4r h VAL 142 Cb 0.33 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 2d4r h VAL 142 CO -0.38 0.47 -0.51 -0.07 0.02 0.00 0.00 177.57 177.10 2d4r h LEU 143 N 0.79 0.00 -0.34 2.57 4.07 -0.56 -2.42 115.31 119.42 2d4r h LEU 143 Ca 0.10 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.87 2d4r h LEU 143 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 2d4r h LEU 143 CO 0.06 0.51 -0.69 0.00 -1.08 0.00 0.00 178.44 177.24 2d4r h ALA 144 N 1.49 0.52 0.00 1.53 0.00 -0.71 -3.18 119.26 118.91 2d4r h ALA 144 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2d4r h ALA 144 Cb 1.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2d4r h ALA 144 CO 0.07 0.72 0.00 0.00 0.00 0.00 0.00 179.25 180.03 2d4r n ALA 145 N -2.55 2.01 1.75 0.00 0.00 -0.46 -5.10 120.51 116.16 2d4r n ALA 145 Ca -0.05 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.52 2d4r n ALA 145 Cb 0.69 -1.40 0.74 0.00 0.00 0.00 0.00 19.45 19.48 2d4r n ALA 145 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95