#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7f s LYS 3 N 0.00 3.68 0.03 -0.52 1.02 -1.26 -1.45 119.74 121.24 1c7f s LYS 3 Ca 0.00 -0.51 0.09 0.00 0.02 0.00 0.00 55.97 55.57 1c7f s LYS 3 Cb 0.00 -2.97 -0.03 0.00 -0.52 0.00 0.00 37.83 34.32 1c7f s LYS 3 CO 0.00 0.20 -0.26 0.00 -0.92 0.00 0.00 175.35 174.37 1c7f s ALA 4 N 0.49 2.25 -0.10 5.17 0.00 0.36 -1.17 121.76 128.75 1c7f s ALA 4 Ca -0.02 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.71 1c7f s ALA 4 Cb -0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1c7f s ALA 4 CO 0.02 0.53 -0.09 -1.17 0.00 0.00 0.00 175.76 175.06 1c7f s LEU 5 N -1.08 2.98 -0.22 0.00 0.20 -0.42 -1.16 118.68 118.98 1c7f s LEU 5 Ca 0.11 -0.16 0.02 0.00 0.69 0.00 0.00 54.13 54.79 1c7f s LEU 5 Cb -0.10 -1.66 0.04 0.00 -0.43 0.00 0.00 46.19 44.04 1c7f s LEU 5 CO 0.01 0.26 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.58 1c7f s ILE 6 N -0.21 1.91 -0.13 6.68 1.01 0.19 -0.09 121.20 130.55 1c7f s ILE 6 Ca 0.02 -1.21 -0.00 0.00 0.00 0.00 0.00 60.65 59.45 1c7f s ILE 6 Cb -0.13 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1c7f s ILE 6 CO 0.03 0.17 -0.13 -0.69 0.00 0.00 0.00 174.94 174.32 1c7f s VAL 7 N 1.27 3.07 0.03 2.92 1.01 -0.48 0.03 120.40 128.25 1c7f s VAL 7 Ca -0.03 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1c7f s VAL 7 Cb -0.17 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1c7f s VAL 7 CO -0.08 0.52 -0.11 -0.72 0.00 0.00 0.00 175.10 174.71 1c7f s TYR 8 N 0.34 0.95 -0.17 5.22 -0.85 -0.71 -1.07 117.35 121.07 1c7f s TYR 8 Ca -0.11 -0.33 -0.03 0.00 -0.52 0.00 0.00 57.07 56.08 1c7f s TYR 8 Cb -0.16 -0.57 -0.02 0.00 0.38 0.00 0.00 41.96 41.59 1c7f s TYR 8 CO 0.06 -0.00 -0.07 0.20 -1.52 0.00 0.00 175.55 174.22 1c7f s GLY 9 N -1.02 1.63 -0.21 5.49 0.00 -0.05 -0.34 107.32 112.82 1c7f s GLY 9 Ca -0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 44.72 43.65 1c7f s GLY 9 CO 0.01 0.06 0.50 -0.45 0.00 0.00 0.00 173.10 173.21 1c7f s SER 10 N 0.73 -0.62 -0.25 1.64 0.15 -1.26 -3.12 113.70 110.97 1c7f s SER 10 Ca -0.03 1.12 0.03 0.00 0.70 0.00 0.00 55.95 57.77 1c7f s SER 10 Cb -0.15 1.16 -0.18 0.00 -1.71 0.00 0.00 66.02 65.14 1c7f s SER 10 CO 0.02 -0.21 -0.17 0.41 1.20 0.00 0.00 173.24 174.49 1c7f n THR 11 N 4.59 1.49 0.56 6.45 -1.04 -1.26 -4.60 114.28 120.47 1c7f n THR 11 Ca -0.19 -0.61 0.09 0.00 -2.04 0.00 0.00 64.05 61.31 1c7f n THR 11 Cb 0.54 -1.33 0.11 0.00 -1.82 0.00 0.00 70.33 67.83 1c7f n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1c7f n THR 12 N -3.21 0.18 0.00 12.58 -2.24 -1.26 -4.97 114.28 115.36 1c7f n THR 12 Ca -0.44 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 1c7f n THR 12 Cb 1.01 1.21 0.00 0.00 -2.10 0.00 0.00 70.33 70.46 1c7f n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c7f n GLY 13 N 1.03 0.31 0.11 3.38 0.00 -1.26 -4.99 105.19 103.77 1c7f n GLY 13 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.96 1c7f n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1c7f h ASN 14 N 0.00 0.40 0.30 1.61 2.35 -1.94 -1.38 115.58 116.91 1c7f h ASN 14 Ca 0.00 -0.87 -0.08 0.00 -0.55 0.00 0.00 56.30 54.80 1c7f h ASN 14 Cb 0.00 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 1c7f h ASN 14 CO 0.00 1.23 -0.34 0.74 -1.65 0.00 0.00 177.43 177.40 1c7f h THR 15 N -0.37 1.26 -0.48 2.81 2.02 -1.94 -1.98 112.91 114.23 1c7f h THR 15 Ca -0.09 -1.24 -0.12 0.00 0.77 0.00 0.00 66.41 65.73 1c7f h THR 15 Cb 1.36 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.38 1c7f h THR 15 CO 0.11 0.36 -0.18 -0.08 0.37 0.00 0.00 175.52 176.10 1c7f h GLU 16 N 0.07 0.96 -0.22 6.66 4.81 -1.86 -0.79 114.58 124.20 1c7f h GLU 16 Ca 0.01 -0.40 -0.00 0.00 -0.13 0.00 0.00 59.36 58.84 1c7f h GLU 16 Cb 0.64 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 1c7f h GLU 16 CO 0.05 1.07 0.13 -0.92 -0.73 0.00 0.00 179.01 178.60 1c7f h TYR 17 N 0.81 0.30 -0.21 0.92 3.20 -1.05 -1.29 116.97 119.65 1c7f h TYR 17 Ca 0.11 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1c7f h TYR 17 Cb 0.75 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 1c7f h TYR 17 CO 0.05 0.24 0.09 1.15 -1.64 0.00 0.00 178.16 178.06 1c7f h THR 18 N 0.27 0.99 -0.68 1.81 2.02 -1.27 -1.96 112.91 114.10 1c7f h THR 18 Ca 0.08 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1c7f h THR 18 Cb 0.03 0.76 -0.08 0.00 -1.74 0.00 0.00 68.15 67.12 1c7f h THR 18 CO -0.01 0.04 0.25 0.00 0.37 0.00 0.00 175.52 176.16 1c7f h ALA 19 N 1.11 0.90 -0.05 6.16 0.00 -0.87 -1.52 119.26 124.99 1c7f h ALA 19 Ca 0.08 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.95 1c7f h ALA 19 Cb 0.03 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1c7f h ALA 19 CO -0.07 -0.20 -0.62 0.93 0.00 0.00 0.00 179.25 179.29 1c7f h GLU 20 N 0.41 0.18 -0.37 0.00 4.39 -1.15 0.11 114.58 118.16 1c7f h GLU 20 Ca 0.35 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.87 1c7f h GLU 20 Cb 0.49 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1c7f h GLU 20 CO -0.36 0.74 -0.01 1.15 -1.16 0.00 0.00 179.01 179.38 1c7f h THR 21 N 0.13 1.26 -0.41 1.13 2.02 -0.93 -2.27 112.91 113.84 1c7f h THR 21 Ca -0.01 -1.00 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1c7f h THR 21 Cb 1.12 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.70 1c7f h THR 21 CO 0.09 0.33 0.14 0.40 0.37 0.00 0.00 175.52 176.86 1c7f h ILE 22 N 0.46 1.21 -0.86 3.11 2.04 -1.17 -2.67 117.51 119.63 1c7f h ILE 22 Ca 0.10 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.36 1c7f h ILE 22 Cb 0.47 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.36 1c7f h ILE 22 CO 0.02 0.24 0.53 0.00 0.00 0.00 0.00 178.15 178.94 1c7f h ALA 23 N 0.99 1.21 -0.40 1.87 0.00 -0.86 -1.53 119.26 120.54 1c7f h ALA 23 Ca 0.14 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 1c7f h ALA 23 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1c7f h ALA 23 CO -0.01 0.22 -0.14 -0.09 0.00 0.00 0.00 179.25 179.24 1c7f h ARG 24 N 0.92 0.74 -0.45 0.00 9.65 -1.28 -1.20 114.38 122.76 1c7f h ARG 24 Ca 0.39 -0.25 -0.13 0.00 -1.10 0.00 0.00 59.98 58.89 1c7f h ARG 24 Cb 0.26 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.77 1c7f h ARG 24 CO -0.20 0.84 -0.23 0.93 2.80 0.00 0.00 179.97 184.10 1c7f h GLU 25 N 0.66 0.93 -0.01 0.20 4.39 -1.03 -1.44 114.58 118.28 1c7f h GLU 25 Ca 0.11 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1c7f h GLU 25 Cb 0.61 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1c7f h GLU 25 CO 0.04 1.06 -0.00 -0.07 -1.16 0.00 0.00 179.01 178.88 1c7f h LEU 26 N 0.80 0.02 -0.82 1.33 4.07 -1.00 -2.88 115.31 116.84 1c7f h LEU 26 Ca 0.10 -0.35 0.12 0.00 0.08 0.00 0.00 57.88 57.83 1c7f h LEU 26 Cb 0.80 -0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.45 1c7f h LEU 26 CO 0.07 0.37 0.44 0.00 -1.08 0.00 0.00 178.44 178.23 1c7f h ALA 27 N 0.65 1.19 0.00 1.53 0.00 -1.22 0.14 119.26 121.55 1c7f h ALA 27 Ca 0.00 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1c7f h ALA 27 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1c7f h ALA 27 CO 0.00 -0.01 -0.00 -0.44 0.00 0.00 0.00 179.25 178.80 1c7f h ASP 28 N 0.69 0.00 -0.54 0.00 3.32 -1.15 -0.47 116.42 118.27 1c7f h ASP 28 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1c7f h ASP 28 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1c7f h ASP 28 CO -0.30 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.22 1c7f n ALA 29 N -2.09 3.34 -0.69 3.45 0.00 0.41 -4.93 120.51 120.00 1c7f n ALA 29 Ca -0.02 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.93 1c7f n ALA 29 Cb 0.17 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.56 1c7f n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c7f n GLY 30 N 0.81 0.80 3.80 0.00 0.00 -0.18 -5.02 105.19 105.40 1c7f n GLY 30 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 1c7f n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1c7f s TYR 31 N -3.03 3.01 -0.19 1.61 1.51 -0.81 -4.44 117.35 115.00 1c7f s TYR 31 Ca 0.00 1.54 -0.17 0.00 -1.01 0.00 0.00 57.07 57.42 1c7f s TYR 31 Cb 0.00 -3.03 -0.04 0.00 -0.11 0.00 0.00 41.96 38.79 1c7f s TYR 31 CO 0.00 -0.98 0.47 -1.83 -1.11 0.00 0.00 175.55 172.10 1c7f s GLU 32 N -3.72 4.20 -0.10 -0.62 -1.05 -0.53 -4.21 118.70 112.66 1c7f s GLU 32 Ca 0.65 0.33 0.03 0.00 -0.15 0.00 0.00 54.97 55.83 1c7f s GLU 32 Cb -0.16 -3.54 -0.01 0.00 -0.44 0.00 0.00 34.13 29.98 1c7f s GLU 32 CO 0.30 -0.08 -0.21 0.08 0.95 0.00 0.00 175.26 176.30 1c7f s VAL 33 N 1.42 2.35 -0.28 1.83 1.01 -1.26 -0.49 120.40 124.98 1c7f s VAL 33 Ca 0.22 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1c7f s VAL 33 Cb -0.15 -1.92 0.05 0.00 0.00 0.00 0.00 36.38 34.35 1c7f s VAL 33 CO 0.09 0.55 -0.05 -0.62 0.00 0.00 0.00 175.10 175.07 1c7f s ASP 34 N 0.28 4.60 -0.30 3.32 -1.08 -0.31 -4.99 116.67 118.20 1c7f s ASP 34 Ca -0.15 -1.21 -0.07 0.00 -0.52 0.00 0.00 52.55 50.60 1c7f s ASP 34 Cb -0.17 -1.65 0.01 0.00 -1.46 0.00 0.00 42.92 39.65 1c7f s ASP 34 CO 0.08 -0.21 0.09 -0.55 0.52 0.00 0.00 175.17 175.10 1c7f s SER 35 N 1.23 5.18 -0.03 -0.34 0.15 -1.26 -0.64 113.70 117.98 1c7f s SER 35 Ca -0.05 -0.75 0.05 0.00 0.70 0.00 0.00 55.95 55.91 1c7f s SER 35 Cb -0.19 -1.89 -0.01 0.00 -1.71 0.00 0.00 66.02 62.22 1c7f s SER 35 CO -0.03 -0.21 -0.19 -0.13 1.20 0.00 0.00 173.24 173.88 1c7f s ARG 36 N 1.50 1.73 0.20 5.44 0.52 0.10 -4.97 118.95 123.47 1c7f s ARG 36 Ca 0.02 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.26 1c7f s ARG 36 Cb -0.17 -1.58 -0.08 0.00 0.52 0.00 0.00 34.95 33.64 1c7f s ARG 36 CO 0.03 0.35 1.19 0.34 0.02 0.00 0.00 175.30 177.23 1c7f s ASP 37 N -0.24 7.09 0.56 0.23 -1.08 -1.26 -1.73 116.67 120.24 1c7f s ASP 37 Ca 0.02 2.26 0.24 0.00 -0.52 0.00 0.00 52.55 54.55 1c7f s ASP 37 Cb -0.10 -2.61 1.53 0.00 -1.46 0.00 0.00 42.92 40.28 1c7f s ASP 37 CO 0.01 -0.36 2.15 0.00 0.52 0.00 0.00 175.17 177.49 1c7f h ALA 38 N 4.99 1.88 0.00 3.66 0.00 -1.00 -0.01 119.26 128.78 1c7f h ALA 38 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 1c7f h ALA 38 Cb 1.21 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1c7f h ALA 38 CO 0.73 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.80 1c7f h ALA 39 N 1.92 1.18 -0.43 0.00 0.00 -1.81 -2.97 119.26 117.14 1c7f h ALA 39 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c7f h ALA 39 Cb 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1c7f h ALA 39 CO -0.00 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.17 1c7f n SER 40 N -3.39 4.68 -4.47 0.00 3.41 -0.02 -4.99 113.62 108.84 1c7f n SER 40 Ca -0.02 -2.88 -0.24 0.00 -0.26 0.00 0.00 58.87 55.47 1c7f n SER 40 Cb 0.17 -0.59 -0.10 0.00 -0.26 0.00 0.00 64.21 63.43 1c7f n SER 40 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1c7f s VAL 41 N -2.62 2.36 0.02 -3.33 1.01 -1.12 -5.01 120.40 111.70 1c7f s VAL 41 Ca 0.47 -2.35 0.06 0.00 0.00 0.00 0.00 61.98 60.16 1c7f s VAL 41 Cb 0.36 -2.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1c7f s VAL 41 CO 0.14 -0.38 -0.17 -1.61 0.00 0.00 0.00 175.10 173.07 1c7f s GLU 42 N -3.54 2.19 0.15 2.72 0.41 -1.26 -5.00 118.70 114.36 1c7f s GLU 42 Ca 0.30 -0.91 -0.11 0.00 -0.41 0.00 0.00 54.97 53.84 1c7f s GLU 42 Cb -0.03 -2.23 -0.02 0.00 -1.78 0.00 0.00 34.13 30.07 1c7f s GLU 42 CO 0.15 0.56 1.52 0.00 -0.49 0.00 0.00 175.26 176.99 1c7f h ALA 43 N 4.76 0.63 -1.32 5.21 0.00 -1.92 -3.40 119.26 123.21 1c7f h ALA 43 Ca -0.47 -0.41 -0.64 0.00 0.00 0.00 0.00 54.91 53.39 1c7f h ALA 43 Cb 1.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1c7f h ALA 43 CO 0.48 0.66 1.45 0.41 0.00 0.00 0.00 179.25 182.25 1c7f n GLY 44 N -0.02 0.60 2.39 0.00 0.00 -1.26 -1.36 105.19 105.54 1c7f n GLY 44 Ca -0.01 0.89 -0.14 0.00 0.00 0.00 0.00 46.02 46.76 1c7f n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c7f n GLY 45 N 6.33 1.26 0.29 -0.02 0.00 0.95 -4.89 105.19 109.11 1c7f n GLY 45 Ca 0.39 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 46.06 1c7f n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1c7f h LEU 46 N 0.00 0.48 -0.63 0.99 5.85 -1.20 -2.26 115.31 118.54 1c7f h LEU 46 Ca -0.29 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.39 1c7f h LEU 46 Cb 0.94 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1c7f h LEU 46 CO 0.41 0.44 -0.09 0.49 -0.34 0.00 0.00 178.44 179.35 1c7f n PHE 47 N -4.39 0.00 -1.72 1.25 3.72 -0.12 -4.94 117.46 111.26 1c7f n PHE 47 Ca 0.02 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.00 1c7f n PHE 47 Cb 0.14 -0.06 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 1c7f n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1c7f n GLU 48 N -0.34 2.61 -0.38 -1.08 1.02 -0.85 -1.80 120.64 119.82 1c7f n GLU 48 Ca 0.17 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 58.24 1c7f n GLU 48 Cb 0.32 -2.73 0.00 0.00 -0.02 0.00 0.00 31.44 29.01 1c7f n GLU 48 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1c7f n GLY 49 N 2.99 1.05 3.85 0.62 0.00 -1.26 -5.05 105.19 107.40 1c7f n GLY 49 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1c7f n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c7f s PHE 50 N -2.93 3.57 0.12 1.61 0.08 -0.74 -4.86 117.98 114.82 1c7f s PHE 50 Ca 0.00 0.51 -0.00 0.00 0.12 0.00 0.00 56.93 57.56 1c7f s PHE 50 Cb 0.00 -2.00 -0.17 0.00 -0.57 0.00 0.00 43.02 40.28 1c7f s PHE 50 CO 0.00 0.65 1.25 -0.44 -0.10 0.00 0.00 175.22 176.58 1c7f h ASP 51 N 5.31 0.30 -4.11 1.36 3.32 -1.47 -3.46 116.42 117.66 1c7f h ASP 51 Ca -0.52 -0.29 -0.25 0.00 0.02 0.00 0.00 57.03 55.99 1c7f h ASP 51 Cb 1.21 -0.09 -0.26 0.00 0.22 0.00 0.00 39.33 40.41 1c7f h ASP 51 CO 0.62 1.17 -0.73 -0.22 -1.72 0.00 0.00 179.24 178.36 1c7f s LEU 52 N -7.19 2.07 -0.09 1.55 0.20 -0.98 -4.25 118.68 110.00 1c7f s LEU 52 Ca -0.03 -0.17 0.00 0.00 0.69 0.00 0.00 54.13 54.62 1c7f s LEU 52 Cb 0.09 -0.07 0.02 0.00 -0.43 0.00 0.00 46.19 45.80 1c7f s LEU 52 CO 0.85 -0.06 -0.07 -0.69 -0.29 0.00 0.00 176.35 176.10 1c7f s VAL 53 N -0.44 0.86 -0.17 1.68 1.01 -0.62 -1.30 120.40 121.41 1c7f s VAL 53 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1c7f s VAL 53 Cb -0.03 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 1c7f s VAL 53 CO -0.00 0.33 -0.11 -0.76 0.00 0.00 0.00 175.10 174.56 1c7f s LEU 54 N 1.48 2.70 -0.14 3.92 1.43 0.86 -2.35 118.68 126.59 1c7f s LEU 54 Ca -0.00 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.72 1c7f s LEU 54 Cb -0.13 -1.64 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1c7f s LEU 54 CO -0.05 0.07 -0.21 -0.76 0.23 0.00 0.00 176.35 175.64 1c7f s LEU 55 N 0.92 2.19 -0.02 1.79 1.02 -0.70 -1.38 118.68 122.50 1c7f s LEU 55 Ca -0.02 -0.57 0.04 0.00 0.02 0.00 0.00 54.13 53.60 1c7f s LEU 55 Cb -0.15 -1.47 -0.01 0.00 0.02 0.00 0.00 46.19 44.58 1c7f s LEU 55 CO -0.00 0.09 -0.15 -0.83 0.02 0.00 0.00 176.35 175.47 1c7f s GLY 56 N 0.76 0.78 -0.14 -3.19 0.00 -0.23 -0.62 107.32 104.69 1c7f s GLY 56 Ca -0.08 -0.65 -0.18 0.00 0.00 0.00 0.00 44.72 43.81 1c7f s GLY 56 CO -0.00 -0.47 0.47 0.00 0.00 0.00 0.00 173.10 173.10 1c7f s SER 58 N -0.21 5.02 -0.10 0.00 1.04 -1.18 -3.89 113.70 114.38 1c7f s SER 58 Ca -0.04 0.16 0.03 0.00 0.48 0.00 0.00 55.95 56.58 1c7f s SER 58 Cb -0.03 -0.92 -0.01 0.00 0.10 0.00 0.00 66.02 65.16 1c7f s SER 58 CO 0.02 -1.38 -0.20 -0.89 0.98 0.00 0.00 173.24 171.77 1c7f s THR 59 N -2.99 2.47 0.00 2.02 2.01 -1.23 -2.86 115.64 115.06 1c7f s THR 59 Ca 0.59 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1c7f s THR 59 Cb -0.10 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.43 1c7f s THR 59 CO 0.41 0.55 0.00 0.79 -0.69 0.00 0.00 174.62 175.69 1c7f n TRP 60 N 3.31 0.00 0.00 4.92 7.02 0.22 -4.96 117.44 127.95 1c7f n TRP 60 Ca -0.18 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.30 1c7f n TRP 60 Cb 0.53 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.42 1c7f n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1c7f n GLY 61 N 3.89 2.65 3.43 6.99 0.00 -1.26 -0.76 105.19 120.13 1c7f n GLY 61 Ca 0.00 -1.57 -0.44 0.00 0.00 0.00 0.00 46.02 44.01 1c7f n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c7f s ASP 62 N 0.00 6.20 0.00 1.61 1.01 -1.26 -4.46 116.67 119.77 1c7f s ASP 62 Ca 0.00 -1.05 0.00 0.00 0.71 0.00 0.00 52.55 52.21 1c7f s ASP 62 Cb 0.00 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.66 1c7f s ASP 62 CO 0.00 -0.85 0.00 -0.90 0.21 0.00 0.00 175.17 173.63 1c7f n ASP 63 N 5.94 0.00 -4.83 0.27 5.68 -1.26 -4.94 116.55 117.42 1c7f n ASP 63 Ca -0.08 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 53.90 1c7f n ASP 63 Cb 0.45 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.38 1c7f n ASP 63 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1c7f s SER 64 N -1.00 4.33 -0.26 -1.12 1.04 -1.26 -5.07 113.70 110.36 1c7f s SER 64 Ca 0.00 -1.53 -0.15 0.00 0.48 0.00 0.00 55.95 54.75 1c7f s SER 64 Cb 0.00 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 1c7f s SER 64 CO 0.00 -0.99 0.36 -0.63 0.98 0.00 0.00 173.24 172.96 1c7f s ILE 65 N -2.86 5.19 0.03 -1.02 1.01 -1.26 -4.37 121.20 117.92 1c7f s ILE 65 Ca 0.14 0.56 0.07 0.00 0.00 0.00 0.00 60.65 61.42 1c7f s ILE 65 Cb -0.00 -3.69 -0.02 0.00 0.01 0.00 0.00 42.46 38.75 1c7f s ILE 65 CO 0.09 0.19 -0.20 -1.61 0.00 0.00 0.00 174.94 173.40 1c7f s GLU 66 N 1.88 1.37 0.67 2.79 2.02 0.06 -4.94 118.70 122.55 1c7f s GLU 66 Ca 0.15 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 1c7f s GLU 66 Cb -0.15 -1.45 -0.01 0.00 0.10 0.00 0.00 34.13 32.62 1c7f s GLU 66 CO 0.09 0.37 1.05 -0.51 0.02 0.00 0.00 175.26 176.29 1c7f s LEU 67 N -1.06 3.14 0.36 1.80 1.02 -1.26 -0.61 118.68 122.07 1c7f s LEU 67 Ca 0.07 1.49 -0.28 0.00 0.02 0.00 0.00 54.13 55.43 1c7f s LEU 67 Cb -0.08 -4.43 -0.12 0.00 0.02 0.00 0.00 46.19 41.57 1c7f s LEU 67 CO 0.01 -1.20 1.38 1.67 0.02 0.00 0.00 176.35 178.24 1c7f n GLN 68 N -2.97 2.39 -0.36 1.70 0.00 -1.14 -4.75 117.38 112.26 1c7f n GLN 68 Ca 0.07 0.84 0.01 0.00 -0.00 0.00 0.00 57.00 57.92 1c7f n GLN 68 Cb 0.54 -2.49 0.15 0.00 0.00 0.00 0.00 30.24 28.44 1c7f n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1c7f h ASP 69 N 2.74 1.04 0.77 1.69 3.32 -1.94 -1.30 116.42 122.73 1c7f h ASP 69 Ca -0.48 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.56 1c7f h ASP 69 Cb 1.26 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 1c7f h ASP 69 CO 0.63 0.68 -0.05 0.44 -1.72 0.00 0.00 179.24 179.22 1c7f h ASP 70 N 1.19 0.00 1.12 6.45 3.32 -1.95 -3.14 116.42 123.40 1c7f h ASP 70 Ca 0.41 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.31 1c7f h ASP 70 Cb 0.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1c7f h ASP 70 CO -0.15 0.05 -0.93 0.15 -1.72 0.00 0.00 179.24 176.64 1c7f h PHE 71 N 0.00 0.00 -0.52 4.55 3.04 -1.57 -3.38 116.94 119.06 1c7f h PHE 71 Ca -0.00 0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.05 1c7f h PHE 71 Cb 0.46 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 38.86 1c7f h PHE 71 CO 0.00 0.61 -0.17 0.82 -2.02 0.00 0.00 178.31 177.55 1c7f h ILE 72 N 0.00 0.42 -0.36 1.41 2.04 -1.45 -0.90 117.51 118.67 1c7f h ILE 72 Ca -0.07 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1c7f h ILE 72 Cb 1.53 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1c7f h ILE 72 CO 0.07 0.00 0.04 -0.65 0.00 0.00 0.00 178.15 177.61 1c7f h PRO 73 N -0.04 0.54 -0.10 2.37 0.11 -1.79 0.07 132.00 133.16 1c7f h PRO 73 Ca 0.25 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1c7f h PRO 73 Cb 0.42 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1c7f h PRO 73 CO -0.56 0.53 -0.01 1.25 -0.21 0.00 0.00 178.00 179.01 1c7f h LEU 74 N 0.53 0.18 -0.98 2.35 5.85 -1.54 -2.79 115.31 118.91 1c7f h LEU 74 Ca 0.12 -0.34 0.02 0.00 0.84 0.00 0.00 57.88 58.52 1c7f h LEU 74 Cb 0.27 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1c7f h LEU 74 CO 0.00 0.48 0.65 0.15 -0.34 0.00 0.00 178.44 179.38 1c7f h PHE 75 N -0.11 1.23 0.00 1.25 3.57 -0.65 -1.13 116.94 121.10 1c7f h PHE 75 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 1c7f h PHE 75 Cb 0.39 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1c7f h PHE 75 CO 0.04 0.75 -0.12 -0.44 -2.23 0.00 0.00 178.31 176.31 1c7f h ASP 76 N 1.30 0.00 -0.30 0.41 3.32 -0.95 -2.86 116.42 117.34 1c7f h ASP 76 Ca 0.37 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 57.21 1c7f h ASP 76 Cb -0.09 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.30 1c7f h ASP 76 CO -0.10 0.12 -0.55 -1.20 -1.72 0.00 0.00 179.24 175.79 1c7f n SER 77 N -3.42 2.95 0.27 6.45 7.64 -0.52 -4.79 113.62 122.21 1c7f n SER 77 Ca -0.01 -3.85 0.14 0.00 1.01 0.00 0.00 58.87 56.16 1c7f n SER 77 Cb 0.29 -0.48 0.78 0.00 -1.01 0.00 0.00 64.21 63.78 1c7f n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1c7f h LEU 78 N 1.41 0.00 -0.07 -3.43 3.38 -1.08 -0.28 115.31 115.24 1c7f h LEU 78 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1c7f h LEU 78 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1c7f h LEU 78 CO 0.32 0.09 0.00 -1.84 0.09 0.00 0.00 178.44 177.10 1c7f n GLU 79 N -3.60 0.02 -0.10 1.13 0.00 -1.26 -2.32 120.64 114.51 1c7f n GLU 79 Ca -0.02 0.26 0.10 0.00 0.00 0.00 0.00 57.16 57.50 1c7f n GLU 79 Cb 0.21 -1.54 0.15 0.00 0.00 0.00 0.00 31.44 30.26 1c7f n GLU 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1c7f n GLU 80 N -1.57 2.15 0.10 3.44 1.02 -0.12 -4.56 120.64 121.10 1c7f n GLU 80 Ca 0.03 -1.98 0.12 0.00 -0.02 0.00 0.00 57.16 55.32 1c7f n GLU 80 Cb 0.18 -1.43 0.14 0.00 -0.02 0.00 0.00 31.44 30.32 1c7f n GLU 80 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1c7f h THR 81 N 4.02 0.00 -0.01 2.62 1.35 -1.58 0.27 112.91 119.58 1c7f h THR 81 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 1c7f h THR 81 Cb 0.89 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1c7f h THR 81 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1c7f n GLY 82 N 1.26 1.57 0.21 5.82 0.00 -1.26 -0.95 105.19 111.83 1c7f n GLY 82 Ca 0.03 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.93 1c7f n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7f h ALA 83 N 0.00 0.94 -2.27 4.61 0.00 -1.89 -3.42 119.26 117.22 1c7f h ALA 83 Ca 0.00 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.33 1c7f h ALA 83 Cb 0.26 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.06 1c7f h ALA 83 CO 0.00 0.04 1.26 0.94 0.00 0.00 0.00 179.25 181.49 1c7f n GLN 84 N -3.07 2.69 -0.97 0.00 7.27 -1.26 -1.40 117.38 120.65 1c7f n GLN 84 Ca 0.03 0.97 0.00 0.00 0.07 0.00 0.00 57.00 58.07 1c7f n GLN 84 Cb 0.54 -3.00 0.00 0.00 2.41 0.00 0.00 30.24 30.19 1c7f n GLN 84 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1c7f n GLY 85 N 4.70 0.50 3.82 1.69 0.00 -0.24 -4.91 105.19 110.74 1c7f n GLY 85 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1c7f n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c7f s ARG 86 N -0.37 4.20 -0.21 1.61 6.06 -0.49 -4.74 118.95 125.00 1c7f s ARG 86 Ca 0.00 0.79 -0.25 0.00 -2.50 0.00 0.00 55.73 53.77 1c7f s ARG 86 Cb 0.00 -2.88 -0.01 0.00 0.06 0.00 0.00 34.95 32.12 1c7f s ARG 86 CO 0.00 0.40 0.84 0.15 -2.50 0.00 0.00 175.30 174.20 1c7f s LYS 87 N -1.99 4.24 0.10 5.12 1.02 -1.26 -0.48 119.74 126.49 1c7f s LYS 87 Ca 0.42 1.00 0.02 0.00 0.02 0.00 0.00 55.97 57.43 1c7f s LYS 87 Cb -0.16 -3.61 -0.04 0.00 -0.52 0.00 0.00 37.83 33.49 1c7f s LYS 87 CO 0.21 -0.44 -0.07 0.08 -0.92 0.00 0.00 175.35 174.21 1c7f s VAL 88 N 2.55 0.73 0.00 3.17 1.01 -0.21 -1.58 120.40 126.07 1c7f s VAL 88 Ca 0.37 -1.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 1c7f s VAL 88 Cb -0.16 -1.64 0.05 0.00 0.00 0.00 0.00 36.38 34.63 1c7f s VAL 88 CO 0.09 -0.84 0.49 0.00 0.00 0.00 0.00 175.10 174.85 1c7f s ALA 89 N -3.47 -1.24 0.20 5.51 0.00 -0.99 -0.49 121.76 121.27 1c7f s ALA 89 Ca 0.11 0.67 0.11 0.00 0.00 0.00 0.00 51.96 52.86 1c7f s ALA 89 Cb 0.04 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1c7f s ALA 89 CO -0.04 -0.39 -0.22 0.00 0.00 0.00 0.00 175.76 175.11 1c7f s PHE 91 N -1.75 0.22 0.00 0.00 -0.71 0.21 -1.31 117.98 114.64 1c7f s PHE 91 Ca 0.22 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.53 1c7f s PHE 91 Cb -0.08 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.84 1c7f s PHE 91 CO 0.11 -0.80 0.00 0.41 -1.34 0.00 0.00 175.22 173.59 1c7f n GLY 92 N -0.27 0.64 3.75 1.99 0.00 -0.25 -1.45 105.19 109.60 1c7f n GLY 92 Ca -0.08 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.02 1c7f n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7f n GLY 94 N -0.60 1.60 2.76 0.00 0.00 0.26 -3.53 105.19 105.68 1c7f n GLY 94 Ca -0.08 -0.75 -0.16 0.00 0.00 0.00 0.00 46.02 45.03 1c7f n GLY 94 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1c7f s GLU 95 N 0.01 -0.04 0.00 1.61 2.02 -1.26 -1.41 118.70 119.63 1c7f s GLU 95 Ca 0.00 0.27 0.13 0.00 0.02 0.00 0.00 54.97 55.39 1c7f s GLU 95 Cb 0.00 -0.31 0.62 0.00 0.10 0.00 0.00 34.13 34.54 1c7f s GLU 95 CO 0.00 -0.22 1.39 -1.13 0.02 0.00 0.00 175.26 175.33 1c7f n SER 96 N 4.51 0.00 0.24 -0.19 3.41 -1.26 -2.20 113.62 118.13 1c7f n SER 96 Ca -0.21 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 58.84 1c7f n SER 96 Cb 0.50 -0.40 0.56 0.00 -0.26 0.00 0.00 64.21 64.61 1c7f n SER 96 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1c7f h SER 97 N 0.00 0.00 -4.34 4.04 4.64 -2.01 -3.45 113.55 112.43 1c7f h SER 97 Ca 0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 1c7f h SER 97 Cb 0.18 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.37 1c7f h SER 97 CO 0.00 0.17 0.36 -0.31 -0.87 0.00 0.00 176.83 176.18 1c7f s TYR 98 N -3.77 3.04 0.09 4.77 1.51 -0.93 -4.98 117.35 117.07 1c7f s TYR 98 Ca -0.00 1.19 -0.22 0.00 -1.01 0.00 0.00 57.07 57.03 1c7f s TYR 98 Cb 0.11 -3.04 -0.13 0.00 -0.11 0.00 0.00 41.96 38.79 1c7f s TYR 98 CO 0.61 -1.47 1.68 1.49 -1.11 0.00 0.00 175.55 176.75 1c7f h GLU 99 N -0.87 0.10 -3.41 -0.62 4.81 -1.89 -3.35 114.58 109.35 1c7f h GLU 99 Ca -0.46 -0.01 -0.72 0.00 -0.13 0.00 0.00 59.36 58.05 1c7f h GLU 99 Cb 1.25 -0.02 -0.34 0.00 0.63 0.00 0.00 28.75 30.27 1c7f h GLU 99 CO 0.60 0.14 -0.09 0.71 -0.73 0.00 0.00 179.01 179.64 1c7f s TYR 100 N -5.89 3.83 -0.00 0.92 1.51 -1.26 -5.05 117.35 111.41 1c7f s TYR 100 Ca -0.13 -2.90 -0.30 0.00 -1.01 0.00 0.00 57.07 52.73 1c7f s TYR 100 Cb 0.06 -3.31 -0.07 0.00 -0.11 0.00 0.00 41.96 38.53 1c7f s TYR 100 CO 0.68 -0.78 1.83 0.12 -1.11 0.00 0.00 175.55 176.28 1c7f s PHE 101 N -1.04 1.58 -1.56 2.71 5.36 -1.26 -2.19 117.98 121.59 1c7f s PHE 101 Ca 0.25 -0.18 -0.08 0.00 -0.96 0.00 0.00 56.93 55.96 1c7f s PHE 101 Cb -0.10 -4.10 0.07 0.00 -0.34 0.00 0.00 43.02 38.55 1c7f s PHE 101 CO -0.10 -4.83 0.54 0.00 -1.46 0.00 0.00 175.22 169.37 1c7f h GLY 103 N -1.68 0.00 1.10 0.00 0.00 -1.84 -2.07 103.07 98.59 1c7f h GLY 103 Ca -0.62 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.70 1c7f h GLY 103 CO 0.70 0.00 0.45 0.00 0.00 0.00 0.00 176.54 177.69 1c7f h ALA 104 N 1.97 1.21 -0.54 3.60 0.00 -1.87 -1.47 119.26 122.15 1c7f h ALA 104 Ca 0.01 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1c7f h ALA 104 Cb 0.06 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1c7f h ALA 104 CO -0.00 0.63 0.29 0.28 0.00 0.00 0.00 179.25 180.45 1c7f h VAL 105 N 1.17 0.97 -0.56 0.00 2.07 -1.63 -0.38 116.25 117.89 1c7f h VAL 105 Ca 0.29 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.63 1c7f h VAL 105 Cb 0.05 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1c7f h VAL 105 CO -0.05 0.10 0.37 0.44 0.02 0.00 0.00 177.57 178.46 1c7f h ASP 106 N 0.55 0.64 -0.49 0.57 3.32 -1.53 -0.48 116.42 119.00 1c7f h ASP 106 Ca 0.24 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 1c7f h ASP 106 Cb 0.13 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1c7f h ASP 106 CO -0.15 0.46 -0.15 0.00 -1.72 0.00 0.00 179.24 177.68 1c7f h ALA 107 N 1.21 0.77 -0.34 3.45 0.00 -0.72 -1.94 119.26 121.69 1c7f h ALA 107 Ca 0.21 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1c7f h ALA 107 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1c7f h ALA 107 CO -0.05 0.67 -0.07 0.82 0.00 0.00 0.00 179.25 180.62 1c7f h ILE 108 N 0.86 1.27 -0.67 0.00 2.04 -0.77 -2.07 117.51 118.18 1c7f h ILE 108 Ca 0.13 -1.11 0.04 0.00 1.00 0.00 0.00 64.86 64.92 1c7f h ILE 108 Cb 0.71 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.04 1c7f h ILE 108 CO 0.05 0.36 0.40 -0.33 0.00 0.00 0.00 178.15 178.64 1c7f h GLU 109 N 0.44 0.74 -0.47 2.37 5.08 -0.98 -0.88 114.58 120.87 1c7f h GLU 109 Ca 0.09 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1c7f h GLU 109 Cb 0.56 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1c7f h GLU 109 CO 0.03 0.49 0.10 1.49 -1.00 0.00 0.00 179.01 180.12 1c7f h GLU 110 N 0.76 0.76 -0.20 2.33 4.81 -1.29 -0.37 114.58 121.39 1c7f h GLU 110 Ca 0.28 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1c7f h GLU 110 Cb 0.09 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 1c7f h GLU 110 CO -0.14 0.76 -0.46 -0.22 -0.73 0.00 0.00 179.01 178.22 1c7f h LYS 111 N 0.64 0.51 -0.49 1.92 3.64 -1.05 -1.81 116.57 119.93 1c7f h LYS 111 Ca 0.15 -0.28 -0.06 0.00 -1.27 0.00 0.00 60.65 59.19 1c7f h LYS 111 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1c7f h LYS 111 CO 0.00 0.86 0.07 -0.07 -2.27 0.00 0.00 179.45 178.05 1c7f h LEU 112 N 0.41 0.79 -0.39 5.20 3.38 -0.87 -1.70 115.31 122.14 1c7f h LEU 112 Ca 0.03 -0.27 0.05 0.00 0.09 0.00 0.00 57.88 57.78 1c7f h LEU 112 Cb 0.96 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 1c7f h LEU 112 CO 0.09 0.85 0.10 0.11 0.09 0.00 0.00 178.44 179.68 1c7f h LYS 113 N 0.69 0.23 -0.47 1.13 1.57 -0.96 -1.24 116.57 117.52 1c7f h LYS 113 Ca 0.15 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1c7f h LYS 113 Cb 0.41 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1c7f h LYS 113 CO 0.01 0.15 0.31 -0.91 -0.57 0.00 0.00 179.45 178.45 1c7f h ASN 114 N 0.24 0.33 0.31 0.86 4.21 -1.06 -0.93 115.58 119.54 1c7f h ASN 114 Ca 0.18 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.69 1c7f h ASN 114 Cb 0.20 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.33 1c7f h ASN 114 CO -0.22 0.22 -0.15 0.18 -1.29 0.00 0.00 177.43 176.17 1c7f n LEU 115 N -4.47 0.66 0.00 1.61 4.77 -0.56 -4.93 117.00 114.08 1c7f n LEU 115 Ca 0.06 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 1c7f n LEU 115 Cb 0.26 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1c7f n LEU 115 CO 0.35 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1c7f n GLY 116 N 1.29 0.96 3.81 -0.72 0.00 -0.35 -4.01 105.19 106.16 1c7f n GLY 116 Ca 0.14 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1c7f n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7f s ALA 117 N -2.00 2.15 -0.32 4.61 0.00 -0.68 -1.08 121.76 124.44 1c7f s ALA 117 Ca 0.00 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1c7f s ALA 117 Cb 0.00 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.09 1c7f s ALA 117 CO 0.00 -1.88 0.07 -2.00 0.00 0.00 0.00 175.76 171.95 1c7f s GLU 118 N -5.23 2.69 -0.28 0.00 2.12 0.37 -4.66 118.70 113.71 1c7f s GLU 118 Ca 0.62 -1.12 -0.29 0.00 0.36 0.00 0.00 54.97 54.54 1c7f s GLU 118 Cb -0.14 -3.37 0.01 0.00 0.26 0.00 0.00 34.13 30.89 1c7f s GLU 118 CO 0.53 -0.60 1.11 0.42 -0.54 0.00 0.00 175.26 176.18 1c7f s ILE 119 N 1.39 4.49 -0.29 -3.70 -1.09 -1.26 -1.04 121.20 119.70 1c7f s ILE 119 Ca -0.01 1.75 0.21 0.00 -2.23 0.00 0.00 60.65 60.36 1c7f s ILE 119 Cb -0.19 -4.33 0.13 0.00 -1.58 0.00 0.00 42.46 36.49 1c7f s ILE 119 CO 0.02 -0.38 1.30 -0.37 -1.23 0.00 0.00 174.94 174.28 1c7f h VAL 120 N 5.67 0.17 -2.81 2.92 -1.51 -1.17 -3.47 116.25 116.05 1c7f h VAL 120 Ca -0.21 -1.26 -0.09 0.00 -1.23 0.00 0.00 66.70 63.90 1c7f h VAL 120 Cb 1.07 1.88 -0.18 0.00 -2.13 0.00 0.00 31.29 31.92 1c7f h VAL 120 CO 1.02 0.09 -0.11 -1.58 -1.23 0.00 0.00 177.57 175.76 1c7f s GLN 121 N -3.20 0.85 0.58 5.19 2.00 -1.26 -4.96 119.66 118.86 1c7f s GLN 121 Ca 0.03 -0.16 -0.20 0.00 -2.00 0.00 0.00 55.36 53.03 1c7f s GLN 121 Cb 0.07 0.38 -0.04 0.00 0.80 0.00 0.00 33.01 34.23 1c7f s GLN 121 CO 0.74 -0.27 1.24 -0.51 -0.50 0.00 0.00 175.29 175.99 1c7f s ASP 122 N -1.56 5.22 0.56 6.67 1.01 -1.26 -4.65 116.67 122.65 1c7f s ASP 122 Ca -0.10 2.47 -0.21 0.00 0.71 0.00 0.00 52.55 55.42 1c7f s ASP 122 Cb -0.02 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1c7f s ASP 122 CO 0.03 -1.58 1.30 -0.83 0.21 0.00 0.00 175.17 174.30 1c7f s GLY 123 N -1.45 2.85 -0.25 0.21 0.00 -1.26 -4.85 107.32 102.57 1c7f s GLY 123 Ca 0.76 1.21 -0.24 0.00 0.00 0.00 0.00 44.72 46.45 1c7f s GLY 123 CO 0.36 1.69 0.79 -2.27 0.00 0.00 0.00 173.10 173.67 1c7f s LEU 124 N -3.66 4.08 -0.23 0.66 2.96 -0.43 -4.97 118.68 117.09 1c7f s LEU 124 Ca 0.73 0.95 -0.00 0.00 -0.22 0.00 0.00 54.13 55.58 1c7f s LEU 124 Cb -0.37 -3.12 0.03 0.00 0.50 0.00 0.00 46.19 43.23 1c7f s LEU 124 CO 0.42 -0.50 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.72 1c7f s ARG 125 N 2.79 2.85 -0.12 1.98 0.52 -1.26 -1.09 118.95 124.62 1c7f s ARG 125 Ca 0.33 -0.95 -0.02 0.00 -0.52 0.00 0.00 55.73 54.56 1c7f s ARG 125 Cb -0.15 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.44 1c7f s ARG 125 CO 0.08 -0.35 -0.03 0.42 0.02 0.00 0.00 175.30 175.44 1c7f s ILE 126 N 1.30 3.96 -0.22 1.52 1.01 -0.19 -5.01 121.20 123.57 1c7f s ILE 126 Ca 0.01 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.20 1c7f s ILE 126 Cb -0.16 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 1c7f s ILE 126 CO -0.07 0.54 0.15 -0.62 0.00 0.00 0.00 174.94 174.94 1c7f s ASP 127 N -0.15 6.16 0.35 3.58 2.15 -1.26 -0.57 116.67 126.93 1c7f s ASP 127 Ca 0.03 0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.18 1c7f s ASP 127 Cb -0.13 -2.10 0.00 0.00 -0.30 0.00 0.00 42.92 40.39 1c7f s ASP 127 CO 0.02 0.11 0.00 0.61 -0.17 0.00 0.00 175.17 175.74 1c7f n GLY 128 N 3.97 0.17 3.67 2.66 0.00 -0.50 -4.76 105.19 110.40 1c7f n GLY 128 Ca -0.15 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 1c7f n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7f s ASP 129 N -4.00 6.81 0.39 1.61 2.15 -1.26 -4.80 116.67 117.57 1c7f s ASP 129 Ca 0.00 2.03 0.18 0.00 0.43 0.00 0.00 52.55 55.19 1c7f s ASP 129 Cb 0.00 -2.54 0.80 0.00 -0.30 0.00 0.00 42.92 40.88 1c7f s ASP 129 CO 0.00 -0.81 1.81 1.55 -0.17 0.00 0.00 175.17 177.55 1c7f h PRO 130 N 8.60 0.00 0.00 4.34 0.13 -1.89 -1.83 132.00 141.35 1c7f h PRO 130 Ca -0.35 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.77 1c7f h PRO 130 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1c7f h PRO 130 CO 0.94 0.35 -0.06 0.00 -0.23 0.00 0.00 178.00 179.01 1c7f h ARG 131 N 0.00 0.00 -0.00 0.86 3.08 -1.95 0.18 114.38 116.55 1c7f h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1c7f h ARG 131 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.79 1c7f h ARG 131 CO 0.05 0.06 -0.15 0.00 -1.07 0.00 0.00 179.97 178.85 1c7f n ALA 132 N -2.31 2.82 -1.56 0.04 0.00 -0.69 -3.76 120.51 115.05 1c7f n ALA 132 Ca -0.02 -0.26 0.07 0.00 0.00 0.00 0.00 53.44 53.22 1c7f n ALA 132 Cb 0.15 -1.31 0.16 0.00 0.00 0.00 0.00 19.45 18.45 1c7f n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1c7f n ALA 133 N -1.07 3.08 0.19 0.00 0.00 0.03 -4.81 120.51 117.93 1c7f n ALA 133 Ca 0.12 -2.93 0.07 0.00 0.00 0.00 0.00 53.44 50.70 1c7f n ALA 133 Cb 0.30 -0.40 0.57 0.00 0.00 0.00 0.00 19.45 19.91 1c7f n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1c7f h ARG 134 N 0.68 0.15 -0.57 0.00 2.43 -1.58 -1.23 114.38 114.26 1c7f h ARG 134 Ca -0.02 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.04 1c7f h ARG 134 Cb 1.10 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1c7f h ARG 134 CO 0.01 0.11 -0.04 -0.44 -1.51 0.00 0.00 179.97 178.10 1c7f h ASP 135 N 0.15 1.02 -0.76 -3.80 3.32 -1.90 -0.91 116.42 113.54 1c7f h ASP 135 Ca 0.04 -0.32 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 1c7f h ASP 135 Cb 0.01 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.25 1c7f h ASP 135 CO -0.01 1.10 0.26 0.44 -1.72 0.00 0.00 179.24 179.32 1c7f h ASP 136 N 0.92 1.09 -0.15 6.45 3.32 -1.64 -1.34 116.42 125.07 1c7f h ASP 136 Ca 0.16 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1c7f h ASP 136 Cb 0.60 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1c7f h ASP 136 CO 0.04 0.99 0.04 0.40 -1.72 0.00 0.00 179.24 179.00 1c7f h ILE 137 N 1.12 1.19 -0.59 0.35 2.04 -0.67 -0.76 117.51 120.18 1c7f h ILE 137 Ca 0.25 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 1c7f h ILE 137 Cb 0.28 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1c7f h ILE 137 CO -0.01 0.18 0.29 0.58 0.00 0.00 0.00 178.15 179.18 1c7f h VAL 138 N 0.06 1.21 -0.64 1.67 2.07 -1.17 -0.90 116.25 118.55 1c7f h VAL 138 Ca 0.05 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 66.95 1c7f h VAL 138 Cb 0.23 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1c7f h VAL 138 CO -0.00 0.24 0.26 1.23 0.02 0.00 0.00 177.57 179.32 1c7f h GLY 139 N 0.80 1.02 0.99 2.17 0.00 -1.16 -0.78 103.07 106.11 1c7f h GLY 139 Ca 0.20 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 1c7f h GLY 139 CO -0.03 0.52 0.27 -0.25 0.00 0.00 0.00 176.54 177.05 1c7f h TRP 140 N 0.90 0.82 -0.85 5.60 7.01 -0.80 -1.40 115.95 127.22 1c7f h TRP 140 Ca 0.21 -0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.16 1c7f h TRP 140 Cb 0.19 -0.25 -0.04 0.00 -2.10 0.00 0.00 29.16 26.96 1c7f h TRP 140 CO 0.01 0.63 0.49 0.00 -2.79 0.00 0.00 178.44 176.78 1c7f h ALA 141 N 1.10 1.26 0.04 2.65 0.00 -0.84 -0.76 119.26 122.71 1c7f h ALA 141 Ca 0.19 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1c7f h ALA 141 Cb 0.13 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1c7f h ALA 141 CO -0.02 0.62 -0.21 1.25 0.00 0.00 0.00 179.25 180.88 1c7f h HIS 142 N 1.18 -0.56 -0.83 0.00 6.17 -0.87 -2.24 115.15 118.00 1c7f h HIS 142 Ca 0.30 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.45 1c7f h HIS 142 Cb -0.01 0.24 -0.06 0.00 2.52 0.00 0.00 27.41 30.10 1c7f h HIS 142 CO 0.01 -0.30 0.52 -0.44 0.71 0.00 0.00 177.93 178.43 1c7f h ASP 143 N -0.36 0.84 -0.85 3.26 3.32 -0.87 -1.64 116.42 120.12 1c7f h ASP 143 Ca 0.05 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.08 1c7f h ASP 143 Cb 0.42 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.76 1c7f h ASP 143 CO -0.17 0.56 0.42 0.58 -1.72 0.00 0.00 179.24 178.91 1c7f h VAL 144 N 0.98 1.26 -0.82 -1.35 2.07 -0.74 -2.24 116.25 115.41 1c7f h VAL 144 Ca 0.35 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.14 1c7f h VAL 144 Cb 0.09 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1c7f h VAL 144 CO -0.14 0.31 0.41 0.03 0.02 0.00 0.00 177.57 178.20 1c7f h ARG 145 N 1.21 1.16 0.00 1.57 3.08 -1.02 -2.15 114.38 118.22 1c7f h ARG 145 Ca 0.29 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1c7f h ARG 145 Cb 0.10 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.93 1c7f h ARG 145 CO -0.04 0.88 0.00 0.78 -1.07 0.00 0.00 179.97 180.52 1c7f h GLY 146 N 1.15 0.00 0.61 0.04 0.00 -1.00 -3.10 103.07 100.77 1c7f h GLY 146 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.29 1c7f h GLY 146 CO -0.04 0.00 -1.97 0.00 0.00 0.00 0.00 176.54 174.53 1c7f n ALA 147 N -1.82 1.47 1.35 3.60 0.00 -0.85 -5.09 120.51 119.17 1c7f n ALA 147 Ca 0.03 -0.96 0.13 0.00 0.00 0.00 0.00 53.44 52.64 1c7f n ALA 147 Cb 0.30 -0.60 0.40 0.00 0.00 0.00 0.00 19.45 19.55 1c7f n ALA 147 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94