#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyy s LYS 3 N 0.00 3.07 -0.03 0.00 1.02 -1.26 -0.32 119.74 122.22 1xyy s LYS 3 Ca 0.00 -0.86 0.07 0.00 0.02 0.00 0.00 55.97 55.21 1xyy s LYS 3 Cb 0.00 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.93 1xyy s LYS 3 CO 0.00 0.13 -0.25 0.00 -0.92 0.00 0.00 175.35 174.30 1xyy s ALA 4 N 0.48 2.14 -0.10 5.17 0.00 0.26 -1.26 121.76 128.45 1xyy s ALA 4 Ca -0.15 -1.09 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1xyy s ALA 4 Cb -0.17 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1xyy s ALA 4 CO 0.06 0.50 -0.17 -1.17 0.00 0.00 0.00 175.76 174.98 1xyy s LEU 5 N -0.49 2.54 -0.17 0.00 2.96 -0.48 0.10 118.68 123.14 1xyy s LEU 5 Ca 0.07 -0.36 0.00 0.00 -0.22 0.00 0.00 54.13 53.62 1xyy s LEU 5 Cb -0.11 -1.54 0.03 0.00 0.50 0.00 0.00 46.19 45.08 1xyy s LEU 5 CO 0.00 0.21 -0.11 -0.63 -1.32 0.00 0.00 176.35 174.51 1xyy s ILE 6 N 0.05 1.47 -0.14 6.68 1.01 0.03 -1.29 121.20 129.01 1xyy s ILE 6 Ca -0.06 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.84 1xyy s ILE 6 Cb -0.15 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1xyy s ILE 6 CO 0.05 0.28 -0.14 -0.69 0.00 0.00 0.00 174.94 174.44 1xyy s VAL 7 N 1.50 2.88 0.02 2.92 1.01 -0.90 -0.48 120.40 127.34 1xyy s VAL 7 Ca 0.02 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1xyy s VAL 7 Cb -0.14 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 1xyy s VAL 7 CO -0.09 0.52 -0.19 -0.72 0.00 0.00 0.00 175.10 174.62 1xyy s TYR 8 N 0.51 1.70 -0.27 5.22 -0.85 -1.03 -0.83 117.35 121.80 1xyy s TYR 8 Ca -0.10 -0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.09 1xyy s TYR 8 Cb -0.16 -1.05 0.03 0.00 0.38 0.00 0.00 41.96 41.17 1xyy s TYR 8 CO 0.04 0.03 -0.03 0.20 -1.52 0.00 0.00 175.55 174.28 1xyy s GLY 9 N -0.86 1.69 -0.09 5.49 0.00 0.29 0.95 107.32 114.80 1xyy s GLY 9 Ca 0.07 -1.57 -0.07 0.00 0.00 0.00 0.00 44.72 43.15 1xyy s GLY 9 CO 0.01 0.60 0.23 -0.45 0.00 0.00 0.00 173.10 173.48 1xyy s SER 10 N 1.31 -0.24 -0.14 1.64 0.15 -1.26 -2.93 113.70 112.24 1xyy s SER 10 Ca -0.02 0.46 0.01 0.00 0.70 0.00 0.00 55.95 57.10 1xyy s SER 10 Cb -0.18 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.47 1xyy s SER 10 CO -0.03 -0.11 -0.13 0.41 1.20 0.00 0.00 173.24 174.59 1xyy n THR 11 N 3.38 0.82 -0.40 6.45 -1.04 -1.26 -4.61 114.28 117.61 1xyy n THR 11 Ca -0.17 -0.31 0.09 0.00 -2.04 0.00 0.00 64.05 61.63 1xyy n THR 11 Cb 0.57 -1.04 0.27 0.00 -1.82 0.00 0.00 70.33 68.31 1xyy n THR 11 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1xyy n THR 12 N -2.96 1.27 -0.53 12.58 -2.24 -1.26 -4.94 114.28 116.19 1xyy n THR 12 Ca -0.25 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.43 1xyy n THR 12 Cb 0.77 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1xyy n THR 12 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyy n GLY 13 N 1.03 1.30 0.12 3.38 0.00 -1.26 -4.95 105.19 104.81 1xyy n GLY 13 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1xyy n GLY 13 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1xyy h ASN 14 N 0.00 0.28 0.57 1.61 2.35 -1.95 -0.38 115.58 118.06 1xyy h ASN 14 Ca 0.00 -0.26 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 1xyy h ASN 14 Cb 0.00 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 1xyy h ASN 14 CO 0.00 0.47 -0.30 0.74 -1.65 0.00 0.00 177.43 176.69 1xyy h THR 15 N 0.08 0.89 -0.07 2.81 2.02 -1.92 -1.28 112.91 115.43 1xyy h THR 15 Ca 0.05 -1.15 -0.25 0.00 0.77 0.00 0.00 66.41 65.83 1xyy h THR 15 Cb 0.31 1.69 0.02 0.00 -1.74 0.00 0.00 68.15 68.42 1xyy h THR 15 CO 0.00 0.29 -0.92 -0.08 0.37 0.00 0.00 175.52 175.18 1xyy h GLU 16 N 0.00 0.75 -0.32 6.66 4.81 -1.87 0.13 114.58 124.74 1xyy h GLU 16 Ca -0.00 -0.71 -0.10 0.00 -0.13 0.00 0.00 59.36 58.42 1xyy h GLU 16 Cb 0.66 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 1xyy h GLU 16 CO 0.04 1.30 -0.20 -0.92 -0.73 0.00 0.00 179.01 178.50 1xyy h TYR 17 N 0.47 0.67 -0.71 0.92 3.20 -0.76 0.34 116.97 121.10 1xyy h TYR 17 Ca -0.10 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.59 1xyy h TYR 17 Cb 1.57 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.64 1xyy h TYR 17 CO 0.10 0.76 0.24 1.15 -1.64 0.00 0.00 178.16 178.76 1xyy h THR 18 N 0.54 1.26 -0.65 1.81 2.02 -1.07 -1.31 112.91 115.51 1xyy h THR 18 Ca 0.08 -0.87 -0.08 0.00 0.77 0.00 0.00 66.41 66.31 1xyy h THR 18 Cb 0.64 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1xyy h THR 18 CO 0.05 0.34 0.09 0.00 0.37 0.00 0.00 175.52 176.36 1xyy h ALA 19 N 1.11 0.92 -0.67 6.16 0.00 -0.41 -1.19 119.26 125.18 1xyy h ALA 19 Ca 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1xyy h ALA 19 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1xyy h ALA 19 CO -0.01 0.66 0.29 0.93 0.00 0.00 0.00 179.25 181.12 1xyy h GLU 20 N 1.01 0.98 -0.61 0.00 5.08 0.24 -1.62 114.58 119.67 1xyy h GLU 20 Ca 0.20 -0.17 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1xyy h GLU 20 Cb 0.46 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1xyy h GLU 20 CO 0.02 0.81 0.29 1.15 -1.00 0.00 0.00 179.01 180.27 1xyy h THR 21 N 0.94 1.22 -0.54 1.13 2.02 -1.05 -0.44 112.91 116.18 1xyy h THR 21 Ca 0.23 -0.62 -0.09 0.00 0.77 0.00 0.00 66.41 66.69 1xyy h THR 21 Cb 0.17 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1xyy h THR 21 CO -0.02 0.25 -0.02 0.40 0.37 0.00 0.00 175.52 176.49 1xyy h ILE 22 N 0.83 1.27 -0.29 3.11 2.04 -1.15 -2.49 117.51 120.83 1xyy h ILE 22 Ca 0.21 -1.15 -0.08 0.00 1.00 0.00 0.00 64.86 64.84 1xyy h ILE 22 Cb 0.13 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1xyy h ILE 22 CO -0.02 0.41 -0.17 0.00 0.00 0.00 0.00 178.15 178.36 1xyy h ALA 23 N 0.95 1.17 -0.17 1.87 0.00 -0.95 -1.74 119.26 120.39 1xyy h ALA 23 Ca 0.15 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1xyy h ALA 23 Cb 0.57 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xyy h ALA 23 CO 0.03 0.53 -0.10 -0.09 0.00 0.00 0.00 179.25 179.62 1xyy h ARG 24 N 0.46 0.37 -0.56 0.00 9.65 -0.85 -0.29 114.38 123.17 1xyy h ARG 24 Ca 0.08 -0.17 -0.01 0.00 -1.10 0.00 0.00 59.98 58.78 1xyy h ARG 24 Cb 0.56 -0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.11 1xyy h ARG 24 CO 0.04 0.69 0.32 1.49 2.80 0.00 0.00 179.97 185.31 1xyy h GLU 25 N 0.05 0.76 -0.01 0.20 4.22 -1.20 0.49 114.58 119.09 1xyy h GLU 25 Ca 0.04 -0.07 -0.00 0.00 0.08 0.00 0.00 59.36 59.40 1xyy h GLU 25 Cb 0.59 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 1xyy h GLU 25 CO 0.03 0.55 -0.01 -0.07 -2.18 0.00 0.00 179.01 177.33 1xyy h LEU 26 N 0.77 0.02 -0.26 1.64 4.07 -1.16 -2.17 115.31 118.22 1xyy h LEU 26 Ca 0.20 -0.49 -0.01 0.00 0.08 0.00 0.00 57.88 57.66 1xyy h LEU 26 Cb -0.00 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 1xyy h LEU 26 CO -0.04 0.51 0.12 0.00 -1.08 0.00 0.00 178.44 177.95 1xyy h ALA 27 N 0.51 0.34 -1.06 1.53 0.00 -0.89 -1.54 119.26 118.15 1xyy h ALA 27 Ca 0.00 -0.10 0.28 0.00 0.00 0.00 0.00 54.91 55.09 1xyy h ALA 27 Cb 0.50 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.11 1xyy h ALA 27 CO 0.00 -0.09 0.71 -0.44 0.00 0.00 0.00 179.25 179.42 1xyy h ASP 28 N 0.28 0.31 -0.16 0.00 3.32 0.00 0.27 116.42 120.45 1xyy h ASP 28 Ca 0.09 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1xyy h ASP 28 Cb 0.14 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.69 1xyy h ASP 28 CO -0.01 0.06 0.00 0.00 -1.72 0.00 0.00 179.24 177.57 1xyy n ALA 29 N -2.56 2.52 0.00 3.45 0.00 -0.65 -4.93 120.51 118.34 1xyy n ALA 29 Ca 0.25 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1xyy n ALA 29 Cb 0.96 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.31 1xyy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xyy n GLY 30 N 1.01 3.06 3.76 0.00 0.00 0.96 -5.07 105.19 108.91 1xyy n GLY 30 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 1xyy n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyy s TYR 31 N -2.66 2.48 -0.33 1.61 1.51 -0.77 -4.76 117.35 114.43 1xyy s TYR 31 Ca 0.00 1.40 -0.14 0.00 -1.01 0.00 0.00 57.07 57.32 1xyy s TYR 31 Cb 0.00 -3.70 -0.02 0.00 -0.11 0.00 0.00 41.96 38.13 1xyy s TYR 31 CO 0.00 -2.52 0.33 -1.21 -1.11 0.00 0.00 175.55 171.04 1xyy s GLU 32 N -2.76 3.61 -0.22 -0.62 2.02 0.57 -4.14 118.70 117.16 1xyy s GLU 32 Ca 0.68 -0.43 -0.04 0.00 0.02 0.00 0.00 54.97 55.20 1xyy s GLU 32 Cb -0.38 -3.79 -0.01 0.00 0.10 0.00 0.00 34.13 30.05 1xyy s GLU 32 CO 0.46 -0.47 -0.03 0.14 0.02 0.00 0.00 175.26 175.38 1xyy s VAL 33 N 1.94 3.57 -0.38 2.63 -7.23 -1.26 0.92 120.40 120.60 1xyy s VAL 33 Ca 0.10 -0.43 -0.10 0.00 -1.81 0.00 0.00 61.98 59.74 1xyy s VAL 33 Cb -0.17 -2.62 0.04 0.00 0.56 0.00 0.00 36.38 34.19 1xyy s VAL 33 CO 0.11 0.42 0.20 -0.62 -0.31 0.00 0.00 175.10 174.90 1xyy s ASP 34 N 1.36 5.66 -0.27 4.85 -1.08 0.29 -4.95 116.67 122.52 1xyy s ASP 34 Ca 0.04 -1.09 -0.08 0.00 -0.52 0.00 0.00 52.55 50.91 1xyy s ASP 34 Cb -0.14 -2.00 -0.02 0.00 -1.46 0.00 0.00 42.92 39.31 1xyy s ASP 34 CO -0.01 -0.40 0.09 -0.55 0.52 0.00 0.00 175.17 174.82 1xyy s SER 35 N 1.60 5.24 -0.07 -0.34 0.15 -1.26 -0.79 113.70 118.23 1xyy s SER 35 Ca 0.01 -0.39 0.03 0.00 0.70 0.00 0.00 55.95 56.30 1xyy s SER 35 Cb -0.20 -1.94 0.01 0.00 -1.71 0.00 0.00 66.02 62.19 1xyy s SER 35 CO 0.06 -0.11 -0.16 -0.13 1.20 0.00 0.00 173.24 174.10 1xyy s ARG 36 N 1.59 2.04 0.11 5.44 0.52 0.36 -4.97 118.95 124.05 1xyy s ARG 36 Ca 0.05 -0.55 -0.31 0.00 -0.52 0.00 0.00 55.73 54.40 1xyy s ARG 36 Cb -0.16 -1.64 -0.08 0.00 0.52 0.00 0.00 34.95 33.59 1xyy s ARG 36 CO 0.04 0.09 1.38 0.34 0.02 0.00 0.00 175.30 177.17 1xyy s ASP 37 N 0.52 6.84 0.57 0.23 -1.08 -1.26 -2.46 116.67 120.02 1xyy s ASP 37 Ca -0.15 2.31 0.27 0.00 -0.52 0.00 0.00 52.55 54.46 1xyy s ASP 37 Cb -0.16 -2.59 1.53 0.00 -1.46 0.00 0.00 42.92 40.25 1xyy s ASP 37 CO 0.05 -0.65 2.05 0.00 0.52 0.00 0.00 175.17 177.14 1xyy h ALA 38 N 6.84 2.06 0.00 3.66 0.00 0.27 0.58 119.26 132.67 1xyy h ALA 38 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1xyy h ALA 38 Cb 1.21 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1xyy h ALA 38 CO 0.86 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1xyy n ALA 39 N -2.44 1.34 0.62 0.00 0.00 -1.26 -2.84 120.51 115.93 1xyy n ALA 39 Ca 0.04 0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1xyy n ALA 39 Cb 0.43 -1.17 0.08 0.00 0.00 0.00 0.00 19.45 18.79 1xyy n ALA 39 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xyy n SER 40 N -1.65 2.47 -4.83 0.00 3.41 0.19 -5.03 113.62 108.18 1xyy n SER 40 Ca 0.01 -1.72 -0.22 0.00 -0.26 0.00 0.00 58.87 56.69 1xyy n SER 40 Cb 0.10 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1xyy n SER 40 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1xyy s VAL 41 N -1.36 3.30 -0.07 -3.33 -7.23 -1.13 -5.04 120.40 105.54 1xyy s VAL 41 Ca 0.21 -1.44 0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1xyy s VAL 41 Cb 0.14 -3.11 0.00 0.00 0.56 0.00 0.00 36.38 33.97 1xyy s VAL 41 CO 0.21 -0.15 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.05 1xyy s GLU 42 N -3.98 2.18 0.47 4.82 0.41 -1.26 -4.95 118.70 116.40 1xyy s GLU 42 Ca 0.41 -0.65 0.13 0.00 -0.41 0.00 0.00 54.97 54.45 1xyy s GLU 42 Cb -0.05 -1.77 1.09 0.00 -1.78 0.00 0.00 34.13 31.62 1xyy s GLU 42 CO 0.26 0.17 2.09 0.00 -0.49 0.00 0.00 175.26 177.29 1xyy h ALA 43 N 6.58 1.85 -0.68 5.21 0.00 -1.90 -3.39 119.26 126.93 1xyy h ALA 43 Ca -0.28 -0.04 -0.55 0.00 0.00 0.00 0.00 54.91 54.05 1xyy h ALA 43 Cb 1.20 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 1xyy h ALA 43 CO 0.47 0.12 1.62 0.41 0.00 0.00 0.00 179.25 181.88 1xyy n GLY 44 N -1.43 -0.07 2.50 0.00 0.00 -1.26 -0.57 105.19 104.36 1xyy n GLY 44 Ca -0.01 0.97 -0.09 0.00 0.00 0.00 0.00 46.02 46.89 1xyy n GLY 44 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyy n GLY 45 N 6.45 0.99 0.40 -0.02 0.00 -0.07 -4.92 105.19 108.03 1xyy n GLY 45 Ca 0.52 -0.24 0.19 0.00 0.00 0.00 0.00 46.02 46.49 1xyy n GLY 45 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xyy h LEU 46 N 0.00 0.43 -1.40 0.99 5.85 -0.93 -2.29 115.31 117.95 1xyy h LEU 46 Ca -0.18 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1xyy h LEU 46 Cb 0.82 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.82 1xyy h LEU 46 CO 0.27 0.17 0.00 0.49 -0.34 0.00 0.00 178.44 179.03 1xyy n PHE 47 N -4.52 0.15 -1.65 1.25 3.72 -0.33 -4.95 117.46 111.12 1xyy n PHE 47 Ca 0.19 -0.07 -0.49 0.00 -0.05 0.00 0.00 57.45 57.03 1xyy n PHE 47 Cb 0.69 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.18 1xyy n PHE 47 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xyy n GLU 48 N 0.65 1.78 -0.55 -1.08 -0.58 -0.87 -2.01 120.64 117.98 1xyy n GLU 48 Ca 0.17 0.65 0.00 0.00 -0.42 0.00 0.00 57.16 57.56 1xyy n GLU 48 Cb 0.43 -2.39 0.00 0.00 -0.57 0.00 0.00 31.44 28.92 1xyy n GLU 48 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xyy n GLY 49 N 3.43 0.77 3.62 0.62 0.00 -1.26 -5.03 105.19 107.34 1xyy n GLY 49 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 1xyy n GLY 49 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xyy s PHE 50 N -2.88 3.17 0.12 1.61 0.08 -0.85 -4.87 117.98 114.35 1xyy s PHE 50 Ca 0.00 0.02 0.12 0.00 0.12 0.00 0.00 56.93 57.18 1xyy s PHE 50 Cb 0.00 -1.96 0.15 0.00 -0.57 0.00 0.00 43.02 40.64 1xyy s PHE 50 CO 0.00 0.21 1.48 -0.44 -0.10 0.00 0.00 175.22 176.37 1xyy h ASP 51 N 6.20 0.00 -3.59 1.36 3.32 -1.50 -3.45 116.42 118.76 1xyy h ASP 51 Ca -0.40 0.00 -0.20 0.00 0.02 0.00 0.00 57.03 56.45 1xyy h ASP 51 Cb 1.18 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1xyy h ASP 51 CO 0.63 0.69 -0.53 -0.22 -1.72 0.00 0.00 179.24 178.10 1xyy s LEU 52 N -6.96 0.94 -0.06 1.55 2.96 -1.01 -4.25 118.68 111.84 1xyy s LEU 52 Ca 0.01 0.39 0.05 0.00 -0.22 0.00 0.00 54.13 54.36 1xyy s LEU 52 Cb 0.10 0.58 -0.01 0.00 0.50 0.00 0.00 46.19 47.37 1xyy s LEU 52 CO 0.77 -0.11 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.76 1xyy s VAL 53 N 0.66 1.93 -0.09 1.68 1.01 -0.33 -1.39 120.40 123.88 1xyy s VAL 53 Ca -0.05 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1xyy s VAL 53 Cb -0.06 -1.64 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1xyy s VAL 53 CO -0.04 0.54 -0.15 -0.76 0.00 0.00 0.00 175.10 174.69 1xyy s LEU 54 N -0.00 1.74 -0.08 3.92 1.43 -0.42 -2.76 118.68 122.51 1xyy s LEU 54 Ca -0.07 -0.39 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1xyy s LEU 54 Cb -0.14 -1.02 -0.00 0.00 0.03 0.00 0.00 46.19 45.05 1xyy s LEU 54 CO 0.05 0.05 -0.24 -0.76 0.23 0.00 0.00 176.35 175.67 1xyy s LEU 55 N 0.75 2.08 -0.01 1.79 1.43 -0.95 -2.12 118.68 121.64 1xyy s LEU 55 Ca -0.12 -0.54 0.08 0.00 -1.03 0.00 0.00 54.13 52.52 1xyy s LEU 55 Cb -0.16 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.64 1xyy s LEU 55 CO 0.03 0.19 -0.25 -0.83 0.23 0.00 0.00 176.35 175.72 1xyy s GLY 56 N 0.16 1.32 -0.28 -3.19 0.00 -0.01 -1.28 107.32 104.03 1xyy s GLY 56 Ca -0.13 -1.14 -0.16 0.00 0.00 0.00 0.00 44.72 43.29 1xyy s GLY 56 CO 0.07 -0.96 0.71 0.00 0.00 0.00 0.00 173.10 172.92 1xyy s SER 58 N 1.69 5.54 0.10 0.00 1.04 -1.15 -4.20 113.70 116.71 1xyy s SER 58 Ca -0.10 0.89 0.10 0.00 0.48 0.00 0.00 55.95 57.32 1xyy s SER 58 Cb -0.05 -1.81 -0.03 0.00 0.10 0.00 0.00 66.02 64.22 1xyy s SER 58 CO -0.20 -1.17 -0.25 0.42 0.98 0.00 0.00 173.24 173.02 1xyy s THR 59 N -3.14 2.04 0.08 2.02 -4.23 -1.23 -2.25 115.64 108.92 1xyy s THR 59 Ca 0.56 -1.58 -0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1xyy s THR 59 Cb -0.11 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 71.93 1xyy s THR 59 CO 0.48 0.12 0.10 0.79 -0.54 0.00 0.00 174.62 175.57 1xyy n TRP 60 N 1.22 -0.61 0.00 3.99 7.02 0.12 -4.96 117.44 124.22 1xyy n TRP 60 Ca -0.18 -0.53 0.00 0.00 -1.02 0.00 0.00 57.50 55.77 1xyy n TRP 60 Cb 0.53 0.12 0.00 0.00 -2.42 0.00 0.00 31.31 29.53 1xyy n TRP 60 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xyy n GLY 61 N -0.13 4.08 0.03 6.99 0.00 -1.26 0.29 105.19 115.19 1xyy n GLY 61 Ca 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 46.02 44.55 1xyy n GLY 61 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1xyy h ASP 62 N 0.00 -0.05 0.00 1.61 3.04 -1.99 -3.44 116.42 115.58 1xyy h ASP 62 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1xyy h ASP 62 Cb 0.00 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.30 1xyy h ASP 62 CO 0.00 -0.01 0.00 0.47 -2.04 0.00 0.00 179.24 177.66 1xyy n ASP 63 N -2.31 0.00 -0.56 4.15 9.92 -1.26 -5.07 116.55 121.42 1xyy n ASP 63 Ca -0.01 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.20 1xyy n ASP 63 Cb 0.02 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 1xyy n ASP 63 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xyy s ILE 65 N -0.28 5.17 -0.18 0.00 1.09 -1.26 -4.23 121.20 121.51 1xyy s ILE 65 Ca 0.05 -0.84 -0.05 0.00 -1.10 0.00 0.00 60.65 58.71 1xyy s ILE 65 Cb -0.00 -4.12 -0.03 0.00 -1.06 0.00 0.00 42.46 37.25 1xyy s ILE 65 CO 0.10 -0.56 -0.01 -0.70 -0.10 0.00 0.00 174.94 173.68 1xyy s GLU 66 N 1.85 3.70 0.65 2.79 2.12 0.14 -4.98 118.70 124.97 1xyy s GLU 66 Ca 0.07 -0.49 -0.15 0.00 0.36 0.00 0.00 54.97 54.76 1xyy s GLU 66 Cb -0.22 -3.03 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1xyy s GLU 66 CO 0.09 0.15 1.09 -0.51 -0.54 0.00 0.00 175.26 175.53 1xyy s LEU 67 N 0.64 3.39 0.11 2.70 1.02 -1.26 -0.70 118.68 124.57 1xyy s LEU 67 Ca -0.01 1.90 -0.34 0.00 0.02 0.00 0.00 54.13 55.71 1xyy s LEU 67 Cb -0.14 -4.54 -0.13 0.00 0.02 0.00 0.00 46.19 41.40 1xyy s LEU 67 CO 0.02 -1.48 1.68 1.67 0.02 0.00 0.00 176.35 178.26 1xyy n GLN 68 N -2.40 2.27 -0.29 1.70 0.00 -0.96 -4.75 117.38 112.96 1xyy n GLN 68 Ca 0.10 0.82 0.29 0.00 -0.00 0.00 0.00 57.00 58.20 1xyy n GLN 68 Cb 0.52 -2.63 0.64 0.00 0.00 0.00 0.00 30.24 28.78 1xyy n GLN 68 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 1xyy h ASP 69 N 6.96 0.19 1.59 1.69 3.32 -1.92 0.90 116.42 129.15 1xyy h ASP 69 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1xyy h ASP 69 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1xyy h ASP 69 CO 0.91 0.04 0.00 0.44 -1.72 0.00 0.00 179.24 178.91 1xyy h ASP 70 N 0.17 0.00 0.74 6.45 3.32 -1.94 -3.04 116.42 122.12 1xyy h ASP 70 Ca 0.55 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.34 1xyy h ASP 70 Cb 1.83 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.34 1xyy h ASP 70 CO -0.12 0.00 -1.35 0.15 -1.72 0.00 0.00 179.24 176.20 1xyy h PHE 71 N 0.00 0.02 -0.68 4.55 3.04 -1.14 -3.38 116.94 119.35 1xyy h PHE 71 Ca 0.00 -0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.07 1xyy h PHE 71 Cb 0.79 -0.00 -0.13 0.00 2.56 0.00 0.00 35.95 39.17 1xyy h PHE 71 CO 0.00 1.02 -0.22 0.82 -2.02 0.00 0.00 178.31 177.91 1xyy h ILE 72 N 0.00 0.25 -0.54 1.41 2.04 -1.32 -1.53 117.51 117.83 1xyy h ILE 72 Ca -0.15 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.81 1xyy h ILE 72 Cb 1.89 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 38.15 1xyy h ILE 72 CO 0.11 0.00 0.09 -0.65 0.00 0.00 0.00 178.15 177.70 1xyy h PRO 73 N -0.04 0.21 -0.40 2.37 0.11 -1.76 0.25 132.00 132.74 1xyy h PRO 73 Ca 0.31 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 1xyy h PRO 73 Cb 0.53 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1xyy h PRO 73 CO -0.72 0.14 0.06 1.25 -0.21 0.00 0.00 178.00 178.52 1xyy h LEU 74 N 0.22 0.64 -0.96 2.35 5.85 -1.60 -2.29 115.31 119.51 1xyy h LEU 74 Ca 0.28 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1xyy h LEU 74 Cb 0.40 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 1xyy h LEU 74 CO -0.38 0.75 0.62 0.15 -0.34 0.00 0.00 178.44 179.24 1xyy h PHE 75 N 0.51 1.23 0.00 1.25 3.04 -0.83 -1.66 116.94 120.47 1xyy h PHE 75 Ca 0.12 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1xyy h PHE 75 Cb 0.38 -0.41 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 1xyy h PHE 75 CO 0.03 0.79 -0.17 -0.44 -2.02 0.00 0.00 178.31 176.50 1xyy h ASP 76 N 1.31 0.00 -0.23 0.41 3.32 -0.22 -2.76 116.42 118.25 1xyy h ASP 76 Ca 0.35 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.31 1xyy h ASP 76 Cb -0.12 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.37 1xyy h ASP 76 CO -0.07 0.17 -0.12 -1.20 -1.72 0.00 0.00 179.24 176.29 1xyy n SER 77 N -3.58 2.63 0.28 6.45 7.64 -0.89 -4.71 113.62 121.44 1xyy n SER 77 Ca -0.01 -3.54 0.12 0.00 1.01 0.00 0.00 58.87 56.44 1xyy n SER 77 Cb 0.30 -0.57 0.79 0.00 -1.01 0.00 0.00 64.21 63.72 1xyy n SER 77 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1xyy h LEU 78 N 1.03 0.00 0.00 -3.43 3.38 -1.01 0.35 115.31 115.63 1xyy h LEU 78 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1xyy h LEU 78 Cb 1.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.17 1xyy h LEU 78 CO 0.24 0.02 0.00 -1.84 0.09 0.00 0.00 178.44 176.94 1xyy n GLU 79 N -4.10 0.09 -0.23 1.13 0.00 -1.26 -1.91 120.64 114.36 1xyy n GLU 79 Ca -0.03 0.25 0.09 0.00 0.00 0.00 0.00 57.16 57.47 1xyy n GLU 79 Cb 0.10 -1.50 0.22 0.00 0.00 0.00 0.00 31.44 30.26 1xyy n GLU 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1xyy n GLU 80 N -1.37 2.53 0.00 3.44 1.02 0.12 -4.58 120.64 121.80 1xyy n GLU 80 Ca 0.04 -2.24 0.12 0.00 -0.02 0.00 0.00 57.16 55.05 1xyy n GLU 80 Cb 0.09 -1.43 0.17 0.00 -0.02 0.00 0.00 31.44 30.26 1xyy n GLU 80 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1xyy n THR 81 N 1.16 0.00 -1.89 2.62 -2.24 -0.80 -0.89 114.28 112.23 1xyy n THR 81 Ca 0.17 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1xyy n THR 81 Cb 0.53 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.32 1xyy n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyy n GLY 82 N 1.45 0.93 0.22 3.38 0.00 -1.26 -1.18 105.19 108.73 1xyy n GLY 82 Ca 0.07 -0.56 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1xyy n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyy h ALA 83 N 0.00 0.96 -1.32 4.61 0.00 -1.85 -3.43 119.26 118.22 1xyy h ALA 83 Ca 0.00 -0.08 -0.72 0.00 0.00 0.00 0.00 54.91 54.11 1xyy h ALA 83 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1xyy h ALA 83 CO 0.00 0.12 1.09 0.94 0.00 0.00 0.00 179.25 181.39 1xyy n GLN 84 N -3.14 1.09 -1.14 0.00 -0.06 -1.19 -0.82 117.38 112.11 1xyy n GLN 84 Ca 0.03 0.37 -0.05 0.00 -2.00 0.00 0.00 57.00 55.35 1xyy n GLN 84 Cb 0.50 -2.18 -0.02 0.00 -4.06 0.00 0.00 30.24 24.48 1xyy n GLN 84 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1xyy n GLY 85 N 5.12 0.66 3.73 1.69 0.00 0.33 -4.86 105.19 111.86 1xyy n GLY 85 Ca 0.33 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1xyy n GLY 85 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xyy s ARG 86 N -1.94 4.43 -0.08 1.61 6.06 0.00 -4.60 118.95 124.43 1xyy s ARG 86 Ca 0.00 0.91 -0.30 0.00 -2.50 0.00 0.00 55.73 53.84 1xyy s ARG 86 Cb 0.00 -3.40 -0.04 0.00 0.06 0.00 0.00 34.95 31.57 1xyy s ARG 86 CO 0.00 0.18 1.45 0.15 -2.50 0.00 0.00 175.30 174.58 1xyy s LYS 87 N 0.37 4.22 0.19 5.12 1.02 -1.26 -0.62 119.74 128.78 1xyy s LYS 87 Ca 0.37 1.93 -0.05 0.00 0.02 0.00 0.00 55.97 58.24 1xyy s LYS 87 Cb -0.19 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.29 1xyy s LYS 87 CO 0.19 -0.73 0.22 0.14 -0.92 0.00 0.00 175.35 174.25 1xyy s VAL 88 N 3.46 0.03 -0.04 3.17 -7.23 -0.23 -1.19 120.40 118.37 1xyy s VAL 88 Ca 0.64 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.79 1xyy s VAL 88 Cb -0.28 -2.22 0.10 0.00 0.56 0.00 0.00 36.38 34.54 1xyy s VAL 88 CO 0.23 -0.15 0.85 0.00 -0.31 0.00 0.00 175.10 175.72 1xyy s ALA 89 N -4.07 -1.82 0.11 1.32 0.00 -1.11 0.10 121.76 116.29 1xyy s ALA 89 Ca 0.28 1.17 0.06 0.00 0.00 0.00 0.00 51.96 53.47 1xyy s ALA 89 Cb 0.05 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 1xyy s ALA 89 CO 0.07 -0.53 -0.14 0.00 0.00 0.00 0.00 175.76 175.16 1xyy s PHE 91 N -1.90 0.87 0.00 0.00 -0.71 -0.40 -1.05 117.98 114.80 1xyy s PHE 91 Ca 0.06 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 54.82 1xyy s PHE 91 Cb -0.06 -0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.61 1xyy s PHE 91 CO 0.03 -0.95 0.00 0.41 -1.34 0.00 0.00 175.22 173.37 1xyy n GLY 92 N -0.43 1.95 3.92 1.99 0.00 -0.56 -1.90 105.19 110.15 1xyy n GLY 92 Ca 0.01 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.29 1xyy n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyy n GLY 94 N -1.31 2.44 3.62 0.00 0.00 0.12 -3.54 105.19 106.52 1xyy n GLY 94 Ca -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.23 1xyy n GLY 94 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xyy s ASP 95 N 1.72 -1.08 0.02 1.61 -1.08 -1.26 -2.15 116.67 114.44 1xyy s ASP 95 Ca 0.00 1.54 0.11 0.00 -0.52 0.00 0.00 52.55 53.67 1xyy s ASP 95 Cb 0.00 2.20 0.47 0.00 -1.46 0.00 0.00 42.92 44.13 1xyy s ASP 95 CO 0.00 -0.22 1.34 -1.54 0.52 0.00 0.00 175.17 175.27 1xyy n SER 96 N 5.40 0.04 0.24 -0.34 3.41 -1.26 -1.78 113.62 119.32 1xyy n SER 96 Ca -0.12 0.51 0.07 0.00 -0.26 0.00 0.00 58.87 59.07 1xyy n SER 96 Cb 0.49 -0.52 0.56 0.00 -0.26 0.00 0.00 64.21 64.48 1xyy n SER 96 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1xyy h SER 97 N 0.00 0.00 -2.54 4.04 0.02 -2.03 -3.43 113.55 109.61 1xyy h SER 97 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1xyy h SER 97 Cb 0.18 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.73 1xyy h SER 97 CO 0.00 0.14 0.03 -1.22 -1.14 0.00 0.00 176.83 174.64 1xyy n TYR 98 N -4.29 -3.81 -0.03 3.45 4.01 -0.73 -5.04 117.16 110.72 1xyy n TYR 98 Ca -0.03 -0.12 0.01 0.00 -0.16 0.00 0.00 57.90 57.60 1xyy n TYR 98 Cb 0.21 -0.09 -0.14 0.00 -0.31 0.00 0.00 39.34 39.01 1xyy n TYR 98 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1xyy n GLU 99 N -1.24 0.66 -3.57 -0.72 4.07 -1.26 -4.71 120.64 113.87 1xyy n GLU 99 Ca 0.02 -0.02 -0.28 0.00 -0.06 0.00 0.00 57.16 56.81 1xyy n GLU 99 Cb 0.05 -1.60 -0.09 0.00 -0.06 0.00 0.00 31.44 29.75 1xyy n GLU 99 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1xyy n TYR 100 N -2.60 3.52 -1.50 4.31 4.01 -1.26 -5.07 117.16 118.57 1xyy n TYR 100 Ca -0.16 -4.17 -0.51 0.00 -0.16 0.00 0.00 57.90 52.90 1xyy n TYR 100 Cb 0.85 -0.62 -0.07 0.00 -0.31 0.00 0.00 39.34 39.19 1xyy n TYR 100 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1xyy n PHE 101 N 1.26 1.72 -4.16 -0.72 7.35 -1.26 -0.74 117.46 120.92 1xyy n PHE 101 Ca 0.26 0.26 -0.32 0.00 -0.76 0.00 0.00 57.45 56.89 1xyy n PHE 101 Cb 0.39 -2.54 -0.03 0.00 0.35 0.00 0.00 39.48 37.64 1xyy n PHE 101 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xyy h GLY 103 N -1.62 0.15 1.05 0.00 0.00 -1.33 -1.92 103.07 99.41 1xyy h GLY 103 Ca -0.61 -0.05 0.09 0.00 0.00 0.00 0.00 47.33 46.76 1xyy h GLY 103 CO 0.73 0.05 0.40 0.00 0.00 0.00 0.00 176.54 177.72 1xyy h ALA 104 N 1.91 1.99 -0.51 3.60 0.00 -1.86 -2.89 119.26 121.50 1xyy h ALA 104 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xyy h ALA 104 Cb 0.10 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1xyy h ALA 104 CO -0.01 -0.12 0.33 0.28 0.00 0.00 0.00 179.25 179.73 1xyy h VAL 105 N 0.43 1.14 -0.68 0.00 2.07 -1.58 -1.85 116.25 115.77 1xyy h VAL 105 Ca 0.28 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.47 1xyy h VAL 105 Cb 0.51 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 1xyy h VAL 105 CO -0.08 0.13 0.17 0.44 0.02 0.00 0.00 177.57 178.26 1xyy h ASP 106 N 0.68 1.03 -0.67 0.57 3.45 -1.64 -0.77 116.42 119.07 1xyy h ASP 106 Ca 0.18 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.41 1xyy h ASP 106 Cb -0.06 -0.27 -0.03 0.00 -0.56 0.00 0.00 39.33 38.40 1xyy h ASP 106 CO -0.04 0.99 0.42 0.00 -1.57 0.00 0.00 179.24 179.04 1xyy h ALA 107 N 1.08 0.85 0.02 3.45 0.00 -1.42 0.20 119.26 123.43 1xyy h ALA 107 Ca 0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1xyy h ALA 107 Cb 0.36 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xyy h ALA 107 CO 0.00 0.30 -0.01 0.82 0.00 0.00 0.00 179.25 180.36 1xyy h ILE 108 N 0.90 1.41 -0.29 0.00 2.04 -1.11 -2.34 117.51 118.13 1xyy h ILE 108 Ca 0.24 -1.38 0.05 0.00 1.00 0.00 0.00 64.86 64.77 1xyy h ILE 108 Cb -0.06 2.33 -0.08 0.00 -0.74 0.00 0.00 36.82 38.28 1xyy h ILE 108 CO -0.05 0.35 -0.49 -0.33 0.00 0.00 0.00 178.15 177.63 1xyy h GLU 109 N -0.63 -0.42 -0.70 2.37 5.08 -1.03 0.84 114.58 120.10 1xyy h GLU 109 Ca -0.00 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1xyy h GLU 109 Cb 0.59 0.10 -0.12 0.00 0.50 0.00 0.00 28.75 29.82 1xyy h GLU 109 CO 0.00 -0.28 0.04 1.49 -1.00 0.00 0.00 179.01 179.26 1xyy h GLU 110 N -0.44 0.13 -0.31 2.33 4.57 -0.65 -0.47 114.58 119.75 1xyy h GLU 110 Ca 0.09 -0.01 -0.14 0.00 -1.18 0.00 0.00 59.36 58.11 1xyy h GLU 110 Cb 0.62 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1xyy h GLU 110 CO -0.52 0.09 -0.37 -0.22 -1.18 0.00 0.00 179.01 176.81 1xyy h LYS 111 N 0.14 0.80 -0.69 1.92 3.64 -0.71 -1.96 116.57 119.70 1xyy h LYS 111 Ca 0.38 -0.44 0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1xyy h LYS 111 Cb 0.65 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.43 1xyy h LYS 111 CO -0.58 1.07 0.35 -0.07 -2.27 0.00 0.00 179.45 177.95 1xyy h LEU 112 N 0.56 0.48 -0.04 5.20 3.38 -0.02 0.21 115.31 125.09 1xyy h LEU 112 Ca 0.04 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xyy h LEU 112 Cb 0.96 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1xyy h LEU 112 CO 0.09 0.29 0.01 0.50 0.09 0.00 0.00 178.44 179.42 1xyy h LYS 113 N 0.62 0.03 0.00 1.13 1.63 -1.03 -0.68 116.57 118.27 1xyy h LYS 113 Ca 0.33 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 1xyy h LYS 113 Cb 0.30 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1xyy h LYS 113 CO -0.24 0.02 0.00 -0.91 -3.45 0.00 0.00 179.45 174.87 1xyy h ASN 114 N 0.03 0.00 -0.46 4.20 2.35 -0.69 -1.21 115.58 119.80 1xyy h ASN 114 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1xyy h ASN 114 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1xyy h ASN 114 CO -0.02 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 175.94 1xyy n LEU 115 N -2.73 2.71 0.00 1.61 4.77 0.00 -4.93 117.00 118.43 1xyy n LEU 115 Ca 0.00 -1.31 0.00 0.00 -0.03 0.00 0.00 56.01 54.67 1xyy n LEU 115 Cb 0.21 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1xyy n LEU 115 CO 0.21 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1xyy n GLY 116 N 1.32 0.70 3.80 -0.72 0.00 -0.46 -3.18 105.19 106.65 1xyy n GLY 116 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1xyy n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyy s ALA 117 N -2.57 2.73 -0.39 4.61 0.00 -0.40 0.12 121.76 125.86 1xyy s ALA 117 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 51.96 52.30 1xyy s ALA 117 Cb 0.00 -3.25 0.03 0.00 0.00 0.00 0.00 23.12 19.89 1xyy s ALA 117 CO 0.00 -0.78 0.25 -2.00 0.00 0.00 0.00 175.76 173.23 1xyy s GLU 118 N -3.90 2.88 -0.21 0.00 2.12 0.20 -4.44 118.70 115.35 1xyy s GLU 118 Ca 0.65 -1.07 -0.29 0.00 0.36 0.00 0.00 54.97 54.62 1xyy s GLU 118 Cb -0.17 -3.84 0.01 0.00 0.26 0.00 0.00 34.13 30.38 1xyy s GLU 118 CO 0.34 -0.73 1.05 0.42 -0.54 0.00 0.00 175.26 175.80 1xyy s ILE 119 N 1.60 4.67 -2.59 -3.70 1.01 -1.25 -1.07 121.20 119.87 1xyy s ILE 119 Ca 0.03 2.00 0.24 0.00 0.00 0.00 0.00 60.65 62.93 1xyy s ILE 119 Cb -0.19 -4.29 0.40 0.00 0.01 0.00 0.00 42.46 38.39 1xyy s ILE 119 CO 0.08 -0.15 1.50 1.33 0.00 0.00 0.00 174.94 177.69 1xyy n VAL 120 N 5.22 0.14 -3.57 2.92 0.24 0.28 -4.92 118.33 118.65 1xyy n VAL 120 Ca 0.12 -0.44 -0.10 0.00 -2.04 0.00 0.00 64.34 61.88 1xyy n VAL 120 Cb 0.46 0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 33.63 1xyy n VAL 120 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1xyy s GLN 121 N -1.86 0.62 0.48 7.34 2.00 -1.26 -4.79 119.66 122.20 1xyy s GLN 121 Ca 0.34 0.07 -0.24 0.00 -2.00 0.00 0.00 55.36 53.53 1xyy s GLN 121 Cb 0.20 0.29 -0.07 0.00 0.80 0.00 0.00 33.01 34.23 1xyy s GLN 121 CO 0.31 -0.21 1.41 -0.25 -0.50 0.00 0.00 175.29 176.05 1xyy n ASP 122 N 0.55 3.14 -4.69 6.67 10.43 -1.26 -4.68 116.55 126.72 1xyy n ASP 122 Ca -0.10 1.08 -0.32 0.00 2.57 0.00 0.00 54.79 58.02 1xyy n ASP 122 Cb 0.58 -1.60 0.15 0.00 1.84 0.00 0.00 41.12 42.10 1xyy n ASP 122 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 1xyy s GLY 123 N -0.61 1.87 -0.26 0.44 0.00 -1.26 -4.83 107.32 102.68 1xyy s GLY 123 Ca 0.65 0.69 -0.13 0.00 0.00 0.00 0.00 44.72 45.92 1xyy s GLY 123 CO 0.55 1.10 0.26 -2.27 0.00 0.00 0.00 173.10 172.74 1xyy s LEU 124 N -6.24 4.06 -0.22 0.66 2.96 -0.21 -4.95 118.68 114.74 1xyy s LEU 124 Ca 0.69 0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 1xyy s LEU 124 Cb -0.25 -2.25 0.02 0.00 0.50 0.00 0.00 46.19 44.21 1xyy s LEU 124 CO 0.55 -0.06 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.27 1xyy s ARG 125 N 1.62 2.91 -0.18 1.98 0.52 -1.26 -1.50 118.95 123.04 1xyy s ARG 125 Ca 0.11 -0.91 -0.07 0.00 -0.52 0.00 0.00 55.73 54.34 1xyy s ARG 125 Cb -0.15 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.45 1xyy s ARG 125 CO 0.09 -0.32 0.05 0.42 0.02 0.00 0.00 175.30 175.56 1xyy s ILE 126 N 1.31 4.69 -0.25 1.52 1.01 -0.67 -4.99 121.20 123.83 1xyy s ILE 126 Ca 0.02 -0.07 -0.11 0.00 0.00 0.00 0.00 60.65 60.49 1xyy s ILE 126 Cb -0.15 -3.11 -0.05 0.00 0.01 0.00 0.00 42.46 39.15 1xyy s ILE 126 CO -0.07 0.46 0.18 -0.62 0.00 0.00 0.00 174.94 174.88 1xyy s ASP 127 N 0.41 6.09 0.13 3.58 -1.08 -1.26 0.13 116.67 124.66 1xyy s ASP 127 Ca 0.02 0.07 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 1xyy s ASP 127 Cb -0.13 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.22 1xyy s ASP 127 CO 0.01 0.02 0.00 0.61 0.52 0.00 0.00 175.17 176.32 1xyy n GLY 128 N 4.57 -1.49 3.61 2.66 0.00 -0.91 -4.77 105.19 108.86 1xyy n GLY 128 Ca -0.14 -1.30 -0.46 0.00 0.00 0.00 0.00 46.02 44.12 1xyy n GLY 128 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xyy n ASP 129 N -0.04 3.29 0.29 1.61 -0.08 -1.26 -4.80 116.55 115.57 1xyy n ASP 129 Ca 0.00 0.59 0.18 0.00 -1.51 0.00 0.00 54.79 54.05 1xyy n ASP 129 Cb 0.00 -1.45 0.87 0.00 2.34 0.00 0.00 41.12 42.89 1xyy n ASP 129 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1xyy h PRO 130 N 12.11 0.00 0.00 -0.67 0.13 -1.88 -1.93 132.00 139.76 1xyy h PRO 130 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 1xyy h PRO 130 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1xyy h PRO 130 CO 0.96 0.03 -0.00 0.00 -0.23 0.00 0.00 178.00 178.76 1xyy h ARG 131 N 0.00 0.00 -0.02 0.86 3.08 -1.93 0.16 114.38 116.53 1xyy h ARG 131 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xyy h ARG 131 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1xyy h ARG 131 CO 0.00 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 178.83 1xyy n ALA 132 N -2.10 2.69 -1.03 0.04 0.00 -0.72 -3.71 120.51 115.68 1xyy n ALA 132 Ca -0.03 -0.57 0.06 0.00 0.00 0.00 0.00 53.44 52.90 1xyy n ALA 132 Cb 0.10 -0.96 0.28 0.00 0.00 0.00 0.00 19.45 18.87 1xyy n ALA 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xyy n ALA 133 N 0.59 3.39 -0.12 0.00 0.00 0.55 -4.83 120.51 120.09 1xyy n ALA 133 Ca 0.15 -2.33 -0.04 0.00 0.00 0.00 0.00 53.44 51.22 1xyy n ALA 133 Cb 0.47 -0.83 0.03 0.00 0.00 0.00 0.00 19.45 19.12 1xyy n ALA 133 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xyy h ARG 134 N 2.15 0.10 -0.57 0.00 1.12 -1.62 -0.05 114.38 115.51 1xyy h ARG 134 Ca 0.04 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 58.88 1xyy h ARG 134 Cb 1.63 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 31.54 1xyy h ARG 134 CO 0.33 0.07 0.22 -0.44 -3.11 0.00 0.00 179.97 177.04 1xyy h ASP 135 N 0.10 0.75 -0.81 -3.80 3.32 -1.92 -1.11 116.42 112.96 1xyy h ASP 135 Ca 0.20 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1xyy h ASP 135 Cb 0.28 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 1xyy h ASP 135 CO -0.33 0.68 0.49 0.44 -1.72 0.00 0.00 179.24 178.81 1xyy h ASP 136 N 0.82 0.96 0.28 6.45 3.32 -1.40 0.31 116.42 127.15 1xyy h ASP 136 Ca 0.19 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1xyy h ASP 136 Cb 0.17 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1xyy h ASP 136 CO -0.02 0.74 -0.13 0.40 -1.72 0.00 0.00 179.24 178.50 1xyy h ILE 137 N 1.10 0.73 -0.33 0.35 2.04 -0.99 0.14 117.51 120.55 1xyy h ILE 137 Ca 0.29 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.55 1xyy h ILE 137 Cb -0.06 1.06 -0.06 0.00 -0.74 0.00 0.00 36.82 37.03 1xyy h ILE 137 CO -0.06 0.13 -0.08 0.58 0.00 0.00 0.00 178.15 178.72 1xyy h VAL 138 N -0.75 0.67 -0.84 1.67 2.07 -1.14 0.18 116.25 118.11 1xyy h VAL 138 Ca -0.04 -0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1xyy h VAL 138 Cb 0.50 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 1xyy h VAL 138 CO 0.06 0.00 0.43 1.23 0.02 0.00 0.00 177.57 179.32 1xyy h GLY 139 N 0.00 1.26 1.09 2.17 0.00 -0.33 -1.57 103.07 105.70 1xyy h GLY 139 Ca 0.16 -0.59 -0.08 0.00 0.00 0.00 0.00 47.33 46.82 1xyy h GLY 139 CO -0.34 0.57 0.13 -0.25 0.00 0.00 0.00 176.54 176.65 1xyy h TRP 140 N 1.18 1.17 -0.22 5.60 7.01 0.69 -1.75 115.95 129.63 1xyy h TRP 140 Ca 0.29 -0.15 -0.14 0.00 2.11 0.00 0.00 58.89 60.99 1xyy h TRP 140 Cb 0.07 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.79 1xyy h TRP 140 CO 0.01 0.97 -0.46 0.00 -2.79 0.00 0.00 178.44 176.18 1xyy h ALA 141 N 1.08 0.79 -0.38 2.65 0.00 -0.25 -1.61 119.26 121.55 1xyy h ALA 141 Ca 0.21 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 1xyy h ALA 141 Cb 0.42 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xyy h ALA 141 CO 0.01 0.66 0.10 1.25 0.00 0.00 0.00 179.25 181.27 1xyy h HIS 142 N 0.46 0.63 -0.05 0.00 -0.00 -1.14 0.96 115.15 116.01 1xyy h HIS 142 Ca 0.03 -0.07 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1xyy h HIS 142 Cb 0.97 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 28.20 1xyy h HIS 142 CO 0.04 0.61 -0.29 -0.44 -0.00 0.00 0.00 177.93 177.85 1xyy h ASP 143 N 0.47 0.08 -0.11 3.26 3.32 -1.26 0.26 116.42 122.44 1xyy h ASP 143 Ca 0.12 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1xyy h ASP 143 Cb 0.29 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 39.83 1xyy h ASP 143 CO -0.00 0.38 -0.55 1.62 -1.72 0.00 0.00 179.24 178.96 1xyy h VAL 144 N 0.08 1.35 -0.65 -1.35 3.04 -0.94 -0.27 116.25 117.51 1xyy h VAL 144 Ca 0.01 -1.85 0.02 0.00 -1.01 0.00 0.00 66.70 63.87 1xyy h VAL 144 Cb 0.56 2.15 -0.03 0.00 -2.01 0.00 0.00 31.29 31.96 1xyy h VAL 144 CO 0.04 0.56 0.43 0.03 -1.01 0.00 0.00 177.57 177.62 1xyy h ARG 145 N 0.20 0.80 0.00 4.17 3.08 -0.52 -1.29 114.38 120.83 1xyy h ARG 145 Ca -0.04 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 1xyy h ARG 145 Cb 1.19 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.06 1xyy h ARG 145 CO 0.11 0.53 0.00 0.78 -1.07 0.00 0.00 179.97 180.33 1xyy h GLY 146 N 0.83 0.00 -0.27 0.04 0.00 -0.05 -2.69 103.07 100.93 1xyy h GLY 146 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1xyy h GLY 146 CO -0.06 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.29 1xyy n ALA 147 N -2.06 2.94 0.82 3.60 0.00 -0.15 -5.04 120.51 120.63 1xyy n ALA 147 Ca -0.01 -0.46 0.10 0.00 0.00 0.00 0.00 53.44 53.07 1xyy n ALA 147 Cb 0.21 -1.08 0.08 0.00 0.00 0.00 0.00 19.45 18.66 1xyy n ALA 147 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94