#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqy s ASP 6 N 0.00 2.97 0.54 0.26 -1.08 -1.26 -5.02 116.67 113.09 1nqy s ASP 6 Ca 0.00 -0.49 0.28 0.00 -0.52 0.00 0.00 52.55 51.82 1nqy s ASP 6 Cb 0.00 -0.70 1.57 0.00 -1.46 0.00 0.00 42.92 42.33 1nqy s ASP 6 CO 0.00 0.25 2.14 -0.65 0.52 0.00 0.00 175.17 177.43 1nqy h PRO 7 N 5.95 0.00 -0.17 4.34 0.11 -2.01 -1.39 132.00 138.82 1nqy h PRO 7 Ca -0.34 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.68 1nqy h PRO 7 Cb 1.16 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1nqy h PRO 7 CO 0.47 0.08 -0.26 1.25 -0.21 0.00 0.00 178.00 179.33 1nqy h LEU 8 N 0.00 0.32 -0.63 2.35 5.85 -1.97 -1.50 115.31 119.73 1nqy h LEU 8 Ca -0.00 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 1nqy h LEU 8 Cb 0.21 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1nqy h LEU 8 CO 0.01 0.58 -0.56 0.44 -0.34 0.00 0.00 178.44 178.57 1nqy h ASP 9 N 0.29 0.42 0.29 1.25 3.32 -1.67 -0.66 116.42 119.66 1nqy h ASP 9 Ca 0.04 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1nqy h ASP 9 Cb 0.61 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1nqy h ASP 9 CO 0.04 0.89 -0.14 0.44 -1.72 0.00 0.00 179.24 178.75 1nqy h ASP 10 N 0.29 -0.33 -0.66 6.45 3.32 -1.40 -2.80 116.42 121.29 1nqy h ASP 10 Ca 0.00 -0.18 0.02 0.00 0.02 0.00 0.00 57.03 56.90 1nqy h ASP 10 Cb 1.07 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 40.67 1nqy h ASP 10 CO 0.09 0.03 0.44 -0.29 -1.72 0.00 0.00 179.24 177.79 1nqy h ILE 11 N -0.74 1.12 -0.06 0.35 6.09 -1.29 -1.93 117.51 121.05 1nqy h ILE 11 Ca -0.04 -0.28 -0.06 0.00 -1.37 0.00 0.00 64.86 63.11 1nqy h ILE 11 Cb 0.50 0.22 -0.01 0.00 0.47 0.00 0.00 36.82 37.99 1nqy h ILE 11 CO 0.07 0.15 -0.22 1.56 -3.07 0.00 0.00 178.15 176.64 1nqy h GLN 12 N 0.83 0.11 -0.00 2.19 4.20 -1.09 -2.51 115.11 118.84 1nqy h GLN 12 Ca 0.26 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1nqy h GLN 12 Cb 0.01 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1nqy h GLN 12 CO -0.07 0.33 -0.16 0.00 -0.67 0.00 0.00 178.83 178.26 1nqy n ALA 13 N -2.49 2.85 -2.38 3.87 0.00 -0.74 -4.79 120.51 116.83 1nqy n ALA 13 Ca -0.02 -0.29 -0.42 0.00 0.00 0.00 0.00 53.44 52.71 1nqy n ALA 13 Cb 0.31 -1.29 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1nqy n ALA 13 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1nqy s ASP 14 N -2.55 6.25 0.64 0.00 3.68 -0.95 -4.88 116.67 118.86 1nqy s ASP 14 Ca 0.26 0.55 0.33 0.00 2.13 0.00 0.00 52.55 55.82 1nqy s ASP 14 Cb 0.20 -2.54 1.81 0.00 -1.45 0.00 0.00 42.92 40.94 1nqy s ASP 14 CO 0.50 -1.56 2.08 -0.65 0.13 0.00 0.00 175.17 175.67 1nqy h PRO 15 N 10.81 0.00 -0.01 4.34 0.11 -1.88 -2.71 132.00 142.66 1nqy h PRO 15 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1nqy h PRO 15 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1nqy h PRO 15 CO 1.13 0.00 -0.35 0.91 -0.21 0.00 0.00 178.00 179.48 1nqy n TRP 16 N -3.27 0.00 -2.37 0.65 7.02 -1.26 -4.94 117.44 113.27 1nqy n TRP 16 Ca -0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 1nqy n TRP 16 Cb 0.32 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.18 1nqy n TRP 16 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1nqy s ALA 17 N -1.85 3.61 0.05 6.99 0.00 -1.02 -5.00 121.76 124.54 1nqy s ALA 17 Ca 0.11 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 52.48 1nqy s ALA 17 Cb 0.12 -3.61 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1nqy s ALA 17 CO 0.40 -1.08 0.51 -0.51 0.00 0.00 0.00 175.76 175.08 1nqy s LEU 18 N 3.16 4.51 -0.07 0.00 1.43 -1.26 -4.90 118.68 121.55 1nqy s LEU 18 Ca 0.58 1.16 0.04 0.00 -1.03 0.00 0.00 54.13 54.87 1nqy s LEU 18 Cb -0.24 -2.79 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1nqy s LEU 18 CO 0.19 0.29 -0.19 0.26 0.23 0.00 0.00 176.35 177.13 1nqy s TRP 19 N -1.10 2.61 0.31 0.29 0.52 -1.26 -4.08 118.94 116.23 1nqy s TRP 19 Ca 0.27 -0.49 -0.02 0.00 0.02 0.00 0.00 56.10 55.88 1nqy s TRP 19 Cb -0.18 -1.66 0.01 0.00 -1.15 0.00 0.00 33.47 30.49 1nqy s TRP 19 CO 0.17 -0.06 0.43 1.47 0.02 0.00 0.00 176.95 178.98 1nqy n LEU 20 N 2.82 0.00 -3.65 2.99 -0.00 -0.28 -4.89 117.00 114.00 1nqy n LEU 20 Ca -0.17 -2.53 -0.11 0.00 -0.00 0.00 0.00 56.01 53.20 1nqy n LEU 20 Cb 0.52 2.25 -0.05 0.00 -0.00 0.00 0.00 43.42 46.14 1nqy n LEU 20 CO 0.26 -0.58 0.16 -0.94 -0.00 0.00 0.00 177.39 176.29 1nqy s SER 21 N -2.92 -0.25 -1.02 1.45 1.04 -1.26 0.19 113.70 110.93 1nqy s SER 21 Ca 0.26 -0.21 -0.04 0.00 0.48 0.00 0.00 55.95 56.43 1nqy s SER 21 Cb -0.01 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1nqy s SER 21 CO 0.18 -0.79 0.87 0.61 0.98 0.00 0.00 173.24 175.10 1nqy n GLY 22 N 0.02 -0.21 0.01 7.32 0.00 -1.26 -5.06 105.19 106.00 1nqy n GLY 22 Ca -0.17 0.03 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1nqy n GLY 22 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1nqy n TYR 33 N -4.07 0.00 -2.62 1.61 4.02 -1.15 -5.16 117.16 109.80 1nqy n TYR 33 Ca -0.09 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.38 1nqy n TYR 33 Cb 0.58 -0.25 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 1nqy n TYR 33 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1nqy s ARG 34 N -2.83 4.49 0.02 -0.72 0.52 -0.64 -4.90 118.95 114.89 1nqy s ARG 34 Ca -0.03 1.52 0.00 0.00 -0.52 0.00 0.00 55.73 56.70 1nqy s ARG 34 Cb 0.09 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.07 1nqy s ARG 34 CO 0.58 -0.17 0.10 1.03 0.02 0.00 0.00 175.30 176.86 1nqy s ARG 35 N 1.27 3.09 0.29 3.54 0.52 -1.26 -0.26 118.95 126.15 1nqy s ARG 35 Ca 0.53 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 55.13 1nqy s ARG 35 Cb -0.23 -2.87 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1nqy s ARG 35 CO 0.26 0.63 0.51 0.00 0.02 0.00 0.00 175.30 176.72 1nqy s ALA 36 N -1.28 0.04 0.01 2.13 0.00 0.43 -2.41 121.76 120.67 1nqy s ALA 36 Ca 0.26 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.98 1nqy s ALA 36 Cb -0.12 1.06 0.03 0.00 0.00 0.00 0.00 23.12 24.08 1nqy s ALA 36 CO 0.18 -0.85 0.36 0.00 0.00 0.00 0.00 175.76 175.45 1nqy s ALA 37 N -3.52 -0.89 0.04 0.00 0.00 -0.57 -1.01 121.76 115.81 1nqy s ALA 37 Ca 0.24 0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.57 1nqy s ALA 37 Cb -0.01 0.19 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 1nqy s ALA 37 CO 0.13 -0.35 -0.14 0.14 0.00 0.00 0.00 175.76 175.54 1nqy s VAL 38 N -1.89 1.07 -0.11 0.00 -7.23 -0.89 -1.37 120.40 109.99 1nqy s VAL 38 Ca -0.09 -0.97 -0.18 0.00 -1.81 0.00 0.00 61.98 58.93 1nqy s VAL 38 Cb -0.03 -0.98 -0.04 0.00 0.56 0.00 0.00 36.38 35.89 1nqy s VAL 38 CO 0.01 0.00 0.46 -0.22 -0.31 0.00 0.00 175.10 175.05 1nqy s LEU 39 N -1.11 4.29 -0.62 1.32 2.96 -0.01 -0.78 118.68 124.74 1nqy s LEU 39 Ca 0.01 0.81 0.02 0.00 -0.22 0.00 0.00 54.13 54.75 1nqy s LEU 39 Cb -0.08 -2.67 0.15 0.00 0.50 0.00 0.00 46.19 44.09 1nqy s LEU 39 CO 0.01 0.03 0.40 -0.69 -1.32 0.00 0.00 176.35 174.78 1nqy s VAL 40 N 0.50 3.12 -0.16 1.68 1.01 0.18 -4.17 120.40 122.57 1nqy s VAL 40 Ca 0.25 -3.43 -0.19 0.00 0.00 0.00 0.00 61.98 58.61 1nqy s VAL 40 Cb -0.15 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.12 1nqy s VAL 40 CO 0.10 -0.88 0.56 0.00 0.00 0.00 0.00 175.10 174.87 1nqy s ALA 41 N -0.52 3.50 -0.06 5.51 0.00 -1.26 -1.91 121.76 127.02 1nqy s ALA 41 Ca 0.19 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.93 1nqy s ALA 41 Cb -0.19 -2.82 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1nqy s ALA 41 CO -0.05 -0.32 -0.15 -0.51 0.00 0.00 0.00 175.76 174.74 1nqy s LEU 42 N 1.34 2.69 0.52 0.00 2.01 -0.34 -1.64 118.68 123.28 1nqy s LEU 42 Ca 0.27 -0.23 -0.18 0.00 0.01 0.00 0.00 54.13 54.00 1nqy s LEU 42 Cb -0.16 -1.55 -0.07 0.00 0.01 0.00 0.00 46.19 44.42 1nqy s LEU 42 CO 0.11 0.32 1.04 0.42 1.01 0.00 0.00 176.35 179.25 1nqy s THR 43 N -0.57 3.87 -0.99 5.49 -4.23 -0.79 -1.44 115.64 116.99 1nqy s THR 43 Ca 0.08 1.05 -0.18 0.00 -1.18 0.00 0.00 61.69 61.46 1nqy s THR 43 Cb -0.11 -3.45 0.13 0.00 1.34 0.00 0.00 72.50 70.41 1nqy s THR 43 CO 0.01 -0.36 1.20 -0.60 -0.54 0.00 0.00 174.62 174.33 1nqy s ARG 44 N -3.57 3.69 0.30 3.99 3.52 0.11 -4.60 118.95 122.40 1nqy s ARG 44 Ca 0.65 -1.89 -0.20 0.00 -0.13 0.00 0.00 55.73 54.17 1nqy s ARG 44 Cb -0.15 -4.97 0.03 0.00 -1.56 0.00 0.00 34.95 28.30 1nqy s ARG 44 CO 0.26 -1.79 0.75 -1.83 -0.81 0.00 0.00 175.30 171.87 1nqy s GLU 45 N 2.59 1.88 0.20 5.12 -1.05 -1.26 -4.46 118.70 121.72 1nqy s GLU 45 Ca 0.35 -1.09 -0.11 0.00 -0.15 0.00 0.00 54.97 53.97 1nqy s GLU 45 Cb -0.04 0.61 0.15 0.00 -0.44 0.00 0.00 34.13 34.40 1nqy s GLU 45 CO -0.08 -0.87 1.85 0.00 0.95 0.00 0.00 175.26 177.12 1nqy h ALA 46 N 2.00 0.86 -2.89 -0.84 0.00 -2.05 -3.29 119.26 113.04 1nqy h ALA 46 Ca -0.22 -0.03 -0.67 0.00 0.00 0.00 0.00 54.91 53.98 1nqy h ALA 46 Cb 1.25 -0.24 -0.38 0.00 0.00 0.00 0.00 17.79 18.42 1nqy h ALA 46 CO 0.28 0.23 -0.28 -3.47 0.00 0.00 0.00 179.25 176.00 1nqy n ASP 47 N -4.65 3.78 -4.64 0.00 2.03 -1.26 -5.08 116.55 106.73 1nqy n ASP 47 Ca 0.06 -3.18 -0.48 0.00 0.52 0.00 0.00 54.79 51.71 1nqy n ASP 47 Cb 0.05 -0.93 -0.04 0.00 -0.72 0.00 0.00 41.12 39.48 1nqy n ASP 47 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1nqy n PRO 48 N 2.08 1.73 -4.12 -0.67 -0.02 -1.24 -4.80 135.00 127.95 1nqy n PRO 48 Ca 0.22 0.62 -0.26 0.00 -2.02 0.00 0.00 63.50 62.05 1nqy n PRO 48 Cb 0.36 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.48 1nqy n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1nqy s ARG 49 N 0.39 2.75 -0.10 -0.52 0.52 -1.26 -0.34 118.95 120.39 1nqy s ARG 49 Ca 0.78 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 55.06 1nqy s ARG 49 Cb -0.77 -2.55 -0.01 0.00 0.52 0.00 0.00 34.95 32.13 1nqy s ARG 49 CO 0.44 0.47 -0.18 0.54 0.02 0.00 0.00 175.30 176.60 1nqy s VAL 50 N -1.76 2.65 -0.34 3.52 0.11 -0.15 -1.88 120.40 122.54 1nqy s VAL 50 Ca 0.30 -0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 58.24 1nqy s VAL 50 Cb -0.10 -2.06 0.01 0.00 -1.53 0.00 0.00 36.38 32.70 1nqy s VAL 50 CO 0.22 0.55 1.28 -0.22 -3.33 0.00 0.00 175.10 173.60 1nqy s LEU 51 N 0.12 3.80 0.20 2.54 2.96 -0.65 -3.51 118.68 124.14 1nqy s LEU 51 Ca -0.09 1.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.94 1nqy s LEU 51 Cb -0.15 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1nqy s LEU 51 CO 0.05 -1.14 -0.14 -0.76 -1.32 0.00 0.00 176.35 173.04 1nqy s LEU 52 N 4.51 2.55 0.17 -0.68 1.43 -0.35 -4.61 118.68 121.70 1nqy s LEU 52 Ca 0.55 -1.02 0.07 0.00 -1.03 0.00 0.00 54.13 52.70 1nqy s LEU 52 Cb -0.15 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.39 1nqy s LEU 52 CO 0.25 -0.18 -0.15 0.42 0.23 0.00 0.00 176.35 176.92 1nqy s THR 53 N -3.00 1.61 -0.21 5.49 -4.23 0.50 -1.23 115.64 114.57 1nqy s THR 53 Ca 0.22 -2.04 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 1nqy s THR 53 Cb -0.00 -1.88 0.02 0.00 1.34 0.00 0.00 72.50 71.98 1nqy s THR 53 CO 0.06 -0.52 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.79 1nqy s VAL 54 N -2.67 2.41 0.25 2.29 1.01 -0.87 -0.98 120.40 121.84 1nqy s VAL 54 Ca 0.18 -0.97 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 1nqy s VAL 54 Cb -0.02 -2.11 -0.09 0.00 0.00 0.00 0.00 36.38 34.15 1nqy s VAL 54 CO 0.05 0.39 1.03 -0.13 0.00 0.00 0.00 175.10 176.45 1nqy s ARG 55 N 1.30 4.72 -0.91 2.72 1.81 0.26 -0.61 118.95 128.25 1nqy s ARG 55 Ca 0.03 1.67 -0.25 0.00 -1.72 0.00 0.00 55.73 55.46 1nqy s ARG 55 Cb -0.15 -3.23 0.04 0.00 -0.45 0.00 0.00 34.95 31.16 1nqy s ARG 55 CO -0.09 0.32 1.40 -1.54 -0.68 0.00 0.00 175.30 174.71 1nqy s SER 56 N -0.92 6.34 0.03 0.23 1.04 -0.68 -3.73 113.70 116.00 1nqy s SER 56 Ca 0.44 -1.04 -0.27 0.00 0.48 0.00 0.00 55.95 55.55 1nqy s SER 56 Cb -0.29 -2.57 -0.14 0.00 0.10 0.00 0.00 66.02 63.12 1nqy s SER 56 CO 0.37 -1.66 0.70 0.29 0.98 0.00 0.00 173.24 173.91 1nqy n LYS 63 N 9.08 0.00 -2.31 4.02 5.02 -1.26 -4.94 118.16 127.76 1nqy n LYS 63 Ca 0.22 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.18 1nqy n LYS 63 Cb 0.50 -1.02 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 1nqy n LYS 63 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1nqy s GLY 64 N -0.15 2.27 -0.20 0.72 0.00 -1.26 -4.99 107.32 103.72 1nqy s GLY 64 Ca 0.62 0.45 -0.29 0.00 0.00 0.00 0.00 44.72 45.50 1nqy s GLY 64 CO 0.41 0.76 1.56 1.62 0.00 0.00 0.00 173.10 177.45 1nqy s GLN 65 N -3.72 3.91 -0.10 2.90 2.00 -1.24 -4.68 119.66 118.72 1nqy s GLN 65 Ca 0.64 1.71 -0.26 0.00 -2.00 0.00 0.00 55.36 55.45 1nqy s GLN 65 Cb -0.15 -3.99 -0.02 0.00 0.80 0.00 0.00 33.01 29.65 1nqy s GLN 65 CO 0.29 -1.16 0.84 0.42 -0.50 0.00 0.00 175.29 175.18 1nqy s ILE 66 N 4.80 4.91 0.18 -2.34 1.01 -1.26 -0.57 121.20 127.93 1nqy s ILE 66 Ca 0.69 1.70 -0.17 0.00 0.00 0.00 0.00 60.65 62.87 1nqy s ILE 66 Cb -0.25 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.08 1nqy s ILE 66 CO 0.27 0.11 0.50 0.00 0.00 0.00 0.00 174.94 175.82 1nqy s ALA 67 N 1.54 -0.93 0.50 9.38 0.00 -0.15 -4.85 121.76 127.24 1nqy s ALA 67 Ca 0.42 -0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.07 1nqy s ALA 67 Cb -0.18 0.83 -0.07 0.00 0.00 0.00 0.00 23.12 23.70 1nqy s ALA 67 CO 0.18 -0.77 0.92 -0.06 0.00 0.00 0.00 175.76 176.03 1nqy s PHE 68 N -3.86 3.49 0.37 0.00 0.40 -1.26 -0.37 117.98 116.75 1nqy s PHE 68 Ca 0.08 1.28 -0.28 0.00 -0.60 0.00 0.00 56.93 57.42 1nqy s PHE 68 Cb -0.00 -2.65 -0.10 0.00 0.51 0.00 0.00 43.02 40.77 1nqy s PHE 68 CO -0.05 -0.34 1.34 -2.14 0.70 0.00 0.00 175.22 174.73 1nqy s PRO 69 N -4.23 4.17 0.00 0.24 0.02 -1.26 -4.83 135.00 129.11 1nqy s PRO 69 Ca 0.55 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.84 1nqy s PRO 69 Cb -0.10 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1nqy s PRO 69 CO 0.36 -0.36 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 1nqy n GLY 70 N 0.69 -1.35 0.00 0.52 0.00 -1.26 -0.83 105.19 102.96 1nqy n GLY 70 Ca 0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1nqy n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nqy n GLY 71 N 0.00 -1.90 3.77 -0.02 0.00 -0.47 -4.92 105.19 101.65 1nqy n GLY 71 Ca 0.00 -1.23 -0.37 0.00 0.00 0.00 0.00 46.02 44.42 1nqy n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nqy s SER 72 N -2.47 6.31 0.36 1.61 0.01 -1.26 -1.51 113.70 116.75 1nqy s SER 72 Ca 0.00 2.28 -0.26 0.00 1.31 0.00 0.00 55.95 59.28 1nqy s SER 72 Cb 0.00 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.54 1nqy s SER 72 CO 0.00 -0.82 1.13 -0.76 0.41 0.00 0.00 173.24 173.20 1nqy s LEU 73 N -2.87 4.30 0.85 2.44 1.43 -1.01 -4.89 118.68 118.93 1nqy s LEU 73 Ca 0.62 2.28 -0.10 0.00 -1.03 0.00 0.00 54.13 55.89 1nqy s LEU 73 Cb -0.28 -3.92 0.16 0.00 0.03 0.00 0.00 46.19 42.18 1nqy s LEU 73 CO 0.35 -0.47 1.18 -1.81 0.23 0.00 0.00 176.35 175.83 1nqy s ASP 74 N -1.11 3.75 0.26 2.29 1.01 -1.26 -4.95 116.67 116.66 1nqy s ASP 74 Ca 0.53 0.12 -0.30 0.00 0.71 0.00 0.00 52.55 53.61 1nqy s ASP 74 Cb -0.30 -0.35 -0.11 0.00 1.01 0.00 0.00 42.92 43.18 1nqy s ASP 74 CO 0.38 -2.30 1.49 0.00 0.21 0.00 0.00 175.17 174.95 1nqy s ALA 75 N -3.57 3.67 0.00 5.23 0.00 -1.26 -2.36 121.76 123.46 1nqy s ALA 75 Ca 0.69 1.41 0.00 0.00 0.00 0.00 0.00 51.96 54.07 1nqy s ALA 75 Cb -0.05 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1nqy s ALA 75 CO 0.49 -0.83 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1nqy n GLY 76 N 2.18 0.38 3.87 0.00 0.00 -1.26 -5.01 105.19 105.36 1nqy n GLY 76 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1nqy n GLY 76 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nqy s GLU 77 N -0.70 3.52 0.62 1.61 2.12 -1.00 -5.11 118.70 119.76 1nqy s GLU 77 Ca 0.00 -0.05 -0.05 0.00 0.36 0.00 0.00 54.97 55.23 1nqy s GLU 77 Cb 0.00 -3.18 0.03 0.00 0.26 0.00 0.00 34.13 31.24 1nqy s GLU 77 CO 0.00 0.75 0.92 0.95 -0.54 0.00 0.00 175.26 177.34 1nqy s THR 78 N -1.07 3.07 0.17 -1.70 -4.23 -1.26 -4.71 115.64 105.91 1nqy s THR 78 Ca 0.18 -0.19 -0.15 0.00 -1.18 0.00 0.00 61.69 60.35 1nqy s THR 78 Cb -0.13 -3.24 0.05 0.00 1.34 0.00 0.00 72.50 70.51 1nqy s THR 78 CO 0.07 -0.24 1.79 -0.65 -0.54 0.00 0.00 174.62 175.05 1nqy h PRO 79 N -0.27 0.46 -0.53 3.99 0.11 -1.97 -1.94 132.00 131.85 1nqy h PRO 79 Ca -0.45 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.66 1nqy h PRO 79 Cb 1.28 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1nqy h PRO 79 CO 0.59 0.30 0.32 1.15 -0.21 0.00 0.00 178.00 180.16 1nqy h THR 80 N 0.47 1.07 -0.89 -1.15 2.02 -1.94 0.51 112.91 113.00 1nqy h THR 80 Ca 0.19 -0.22 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1nqy h THR 80 Cb 0.07 0.37 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1nqy h THR 80 CO -0.12 0.12 0.49 1.56 0.37 0.00 0.00 175.52 177.94 1nqy h GLN 81 N 0.64 1.23 -0.06 6.66 4.20 -1.89 -0.66 115.11 125.23 1nqy h GLN 81 Ca 0.21 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1nqy h GLN 81 Cb 0.00 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.54 1nqy h GLN 81 CO -0.09 0.90 -0.01 0.00 -0.67 0.00 0.00 178.83 178.96 1nqy h ALA 82 N 1.30 0.09 -0.07 3.87 0.00 -0.85 -0.46 119.26 123.13 1nqy h ALA 82 Ca 0.31 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.06 1nqy h ALA 82 Cb 0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 1nqy h ALA 82 CO -0.05 -0.21 -0.10 0.00 0.00 0.00 0.00 179.25 178.88 1nqy h ALA 83 N 0.68 -0.05 -0.56 0.00 0.00 -0.68 0.70 119.26 119.35 1nqy h ALA 83 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1nqy h ALA 83 Cb 0.38 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1nqy h ALA 83 CO 0.01 -0.57 0.23 -0.07 0.00 0.00 0.00 179.25 178.84 1nqy h LEU 84 N -0.14 0.78 -0.53 0.00 3.38 -1.13 -1.87 115.31 115.80 1nqy h LEU 84 Ca 0.06 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1nqy h LEU 84 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1nqy h LEU 84 CO -0.16 0.74 0.30 -0.09 0.09 0.00 0.00 178.44 179.32 1nqy h ARG 85 N 0.77 0.73 -0.31 1.13 2.43 -0.78 -1.99 114.38 116.37 1nqy h ARG 85 Ca 0.19 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 1nqy h ARG 85 Cb 0.20 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1nqy h ARG 85 CO -0.02 0.56 0.12 0.93 -1.51 0.00 0.00 179.97 180.05 1nqy h GLU 86 N 0.71 0.47 -0.26 0.20 4.39 -0.71 -0.03 114.58 119.35 1nqy h GLU 86 Ca 0.19 -0.09 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 1nqy h GLU 86 Cb 0.03 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 1nqy h GLU 86 CO -0.03 0.49 0.09 0.00 -1.16 0.00 0.00 179.01 178.40 1nqy h ALA 87 N 0.96 1.68 0.00 3.43 0.00 -1.21 0.86 119.26 124.98 1nqy h ALA 87 Ca 0.10 -0.09 -0.26 0.00 0.00 0.00 0.00 54.91 54.67 1nqy h ALA 87 Cb 0.20 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 17.90 1nqy h ALA 87 CO -0.01 0.26 -1.03 0.37 0.00 0.00 0.00 179.25 178.84 1nqy h GLN 88 N 0.36 0.65 -0.13 0.00 4.15 -0.94 -1.92 115.11 117.27 1nqy h GLN 88 Ca 0.09 -0.70 -0.15 0.00 0.77 0.00 0.00 58.65 58.65 1nqy h GLN 88 Cb 0.10 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1nqy h GLN 88 CO -0.01 1.29 -0.58 0.93 -1.93 0.00 0.00 178.83 178.53 1nqy h GLU 89 N 0.36 0.41 0.06 1.69 5.08 -0.65 -1.04 114.58 120.48 1nqy h GLU 89 Ca -0.12 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1nqy h GLU 89 Cb 1.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.97 1nqy h GLU 89 CO 0.20 0.87 -0.03 0.93 -1.00 0.00 0.00 179.01 179.98 1nqy h GLU 90 N 0.31 -0.08 0.00 2.33 5.08 -0.88 -3.42 114.58 117.92 1nqy h GLU 90 Ca -0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nqy h GLU 90 Cb 1.10 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1nqy h GLU 90 CO 0.10 0.39 -0.01 1.33 -1.00 0.00 0.00 179.01 179.82 1nqy n VAL 91 N -4.78 0.95 -2.75 3.13 0.24 -0.75 -1.58 118.33 112.79 1nqy n VAL 91 Ca -0.06 -0.98 -0.14 0.00 -2.04 0.00 0.00 64.34 61.11 1nqy n VAL 91 Cb 0.24 0.49 0.02 0.00 -1.47 0.00 0.00 33.84 33.13 1nqy n VAL 91 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqy n ALA 92 N -0.52 -0.63 -2.66 2.33 0.00 -0.39 -0.69 120.51 117.95 1nqy n ALA 92 Ca 0.02 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 1nqy n ALA 92 Cb 0.32 -2.71 -0.03 0.00 0.00 0.00 0.00 19.45 17.03 1nqy n ALA 92 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nqy s LEU 93 N -4.49 4.11 -0.03 0.00 2.96 -1.07 -4.74 118.68 115.42 1nqy s LEU 93 Ca 0.20 1.30 -0.30 0.00 -0.22 0.00 0.00 54.13 55.11 1nqy s LEU 93 Cb -0.09 -3.44 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1nqy s LEU 93 CO 0.24 -0.60 1.39 -0.62 -1.32 0.00 0.00 176.35 175.45 1nqy s ASP 94 N 1.22 6.86 0.36 3.68 2.15 -1.26 -3.61 116.67 126.07 1nqy s ASP 94 Ca 0.42 2.04 0.11 0.00 0.43 0.00 0.00 52.55 55.55 1nqy s ASP 94 Cb -0.15 -2.55 0.89 0.00 -0.30 0.00 0.00 42.92 40.80 1nqy s ASP 94 CO 0.08 -0.73 1.83 -0.65 -0.17 0.00 0.00 175.17 175.52 1nqy h PRO 95 N 8.04 0.60 0.00 4.34 0.11 -1.94 0.15 132.00 143.30 1nqy h PRO 95 Ca -0.36 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1nqy h PRO 95 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1nqy h PRO 95 CO 0.92 0.40 0.00 0.00 -0.21 0.00 0.00 178.00 179.10 1nqy h ALA 96 N 1.61 1.00 -0.00 -0.75 0.00 -2.00 -1.65 119.26 117.47 1nqy h ALA 96 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 1nqy h ALA 96 Cb 0.97 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1nqy h ALA 96 CO -0.26 0.00 -0.07 0.00 0.00 0.00 0.00 179.25 178.92 1nqy n ALA 97 N -1.84 2.72 -3.01 0.00 0.00 0.54 -4.82 120.51 114.10 1nqy n ALA 97 Ca 0.01 -0.28 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 1nqy n ALA 97 Cb 0.19 -1.34 -0.12 0.00 0.00 0.00 0.00 19.45 18.18 1nqy n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nqy s VAL 98 N -2.31 4.09 -0.27 0.00 1.01 -0.62 -4.42 120.40 117.87 1nqy s VAL 98 Ca 0.34 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 1nqy s VAL 98 Cb 0.21 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.71 1nqy s VAL 98 CO 0.43 0.44 0.34 -0.89 0.00 0.00 0.00 175.10 175.43 1nqy s THR 99 N 0.77 5.20 -0.04 3.92 2.01 0.29 -4.86 115.64 122.93 1nqy s THR 99 Ca 0.00 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.19 1nqy s THR 99 Cb -0.14 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1nqy s THR 99 CO 0.02 0.17 1.19 -0.76 -0.69 0.00 0.00 174.62 174.55 1nqy s LEU 100 N 2.01 4.29 0.00 4.42 1.43 -1.26 0.46 118.68 130.04 1nqy s LEU 100 Ca 0.13 1.83 0.15 0.00 -1.03 0.00 0.00 54.13 55.21 1nqy s LEU 100 Cb -0.16 -3.56 0.17 0.00 0.03 0.00 0.00 46.19 42.67 1nqy s LEU 100 CO 0.10 -0.56 1.03 0.18 0.23 0.00 0.00 176.35 177.34 1nqy n LEU 101 N 5.00 2.41 0.00 1.79 4.77 -0.38 -4.94 117.00 125.65 1nqy n LEU 101 Ca 0.11 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1nqy n LEU 101 Cb 0.46 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1nqy n LEU 101 CO 0.55 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1nqy n GLY 102 N 0.84 -0.76 3.20 -0.72 0.00 -1.24 -4.93 105.19 101.57 1nqy n GLY 102 Ca 0.10 -2.18 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 1nqy n GLY 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1nqy s GLU 103 N -0.02 0.90 0.92 1.61 1.03 -1.26 0.10 118.70 121.97 1nqy s GLU 103 Ca 0.00 -1.11 -0.15 0.00 0.03 0.00 0.00 54.97 53.74 1nqy s GLU 103 Cb 0.00 -0.77 0.17 0.00 -0.80 0.00 0.00 34.13 32.72 1nqy s GLU 103 CO 0.00 0.15 1.28 -0.51 -1.33 0.00 0.00 175.26 174.85 1nqy s LEU 104 N -2.18 2.61 0.53 1.83 1.43 -0.36 -4.93 118.68 117.61 1nqy s LEU 104 Ca 0.04 0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 53.36 1nqy s LEU 104 Cb -0.06 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.51 1nqy s LEU 104 CO 0.02 -2.53 1.21 -1.81 0.23 0.00 0.00 176.35 173.47 1nqy s ASP 105 N -4.77 5.64 0.44 2.29 1.01 -1.26 -4.40 116.67 115.62 1nqy s ASP 105 Ca 0.70 2.39 -0.25 0.00 0.71 0.00 0.00 52.55 56.10 1nqy s ASP 105 Cb -0.06 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.18 1nqy s ASP 105 CO 0.52 -1.29 1.38 -1.81 0.21 0.00 0.00 175.17 174.18 1nqy s ASP 106 N -1.43 6.01 0.06 0.27 -0.00 -1.26 -4.56 116.67 115.77 1nqy s ASP 106 Ca 0.71 2.81 0.04 0.00 -0.00 0.00 0.00 52.55 56.11 1nqy s ASP 106 Cb -0.30 -2.65 -0.04 0.00 -0.00 0.00 0.00 42.92 39.93 1nqy s ASP 106 CO 0.35 -1.07 -0.01 0.68 -0.00 0.00 0.00 175.17 175.12 1nqy s VAL 107 N -1.23 3.97 0.16 -1.27 -7.23 -0.63 -4.42 120.40 109.75 1nqy s VAL 107 Ca 0.60 -0.90 -0.11 0.00 -1.81 0.00 0.00 61.98 59.76 1nqy s VAL 107 Cb -0.41 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 33.68 1nqy s VAL 107 CO 0.53 0.20 0.33 0.72 -0.31 0.00 0.00 175.10 176.57 1nqy s PHE 108 N -1.23 0.22 -0.02 2.82 -0.12 0.13 -0.59 117.98 119.20 1nqy s PHE 108 Ca 0.23 -0.58 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 1nqy s PHE 108 Cb -0.12 0.06 -0.01 0.00 -0.63 0.00 0.00 43.02 42.32 1nqy s PHE 108 CO 0.15 -0.73 -0.15 -0.08 -0.05 0.00 0.00 175.22 174.36 1nqy s THR 109 N -3.92 1.17 0.21 -4.49 -1.32 -0.78 -1.12 115.64 105.39 1nqy s THR 109 Ca 0.13 -0.62 -0.10 0.00 -1.21 0.00 0.00 61.69 59.88 1nqy s THR 109 Cb 0.03 -0.98 0.30 0.00 -1.51 0.00 0.00 72.50 70.33 1nqy s THR 109 CO -0.03 0.33 1.29 -2.65 -2.21 0.00 0.00 174.62 171.35 1nqy n PRO 110 N 2.81 -0.13 -0.32 7.08 -0.02 -1.26 -2.22 135.00 140.95 1nqy n PRO 110 Ca -0.15 1.28 -0.09 0.00 -2.02 0.00 0.00 63.50 62.52 1nqy n PRO 110 Cb 0.55 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 32.05 1nqy n PRO 110 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1nqy h VAL 111 N 0.00 0.02 0.00 -1.45 -1.51 -1.97 -3.44 116.25 107.89 1nqy h VAL 111 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.82 1nqy h VAL 111 Cb 0.56 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1nqy h VAL 111 CO -0.84 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.11 1nqy n GLY 112 N -1.35 -1.19 2.76 5.19 0.00 -0.94 -4.74 105.19 104.92 1nqy n GLY 112 Ca 0.02 0.27 -0.17 0.00 0.00 0.00 0.00 46.02 46.15 1nqy n GLY 112 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nqy s PHE 113 N 0.00 -0.01 -0.11 1.61 0.40 -1.19 -1.62 117.98 117.05 1nqy s PHE 113 Ca 0.00 0.30 0.02 0.00 -0.60 0.00 0.00 56.93 56.65 1nqy s PHE 113 Cb 0.00 -0.32 -0.01 0.00 0.51 0.00 0.00 43.02 43.20 1nqy s PHE 113 CO 0.00 -0.17 -0.18 -1.01 0.70 0.00 0.00 175.22 174.57 1nqy s HIS 114 N 1.71 2.69 -0.11 0.36 3.76 0.64 -1.87 115.29 122.48 1nqy s HIS 114 Ca -0.02 -0.74 0.03 0.00 -0.15 0.00 0.00 55.06 54.18 1nqy s HIS 114 Cb -0.12 -1.76 0.01 0.00 1.11 0.00 0.00 32.58 31.81 1nqy s HIS 114 CO -0.04 -0.25 -0.22 0.08 -0.85 0.00 0.00 174.74 173.47 1nqy s VAL 115 N 0.22 1.93 -0.37 -0.90 1.01 0.25 -0.43 120.40 122.11 1nqy s VAL 115 Ca -0.11 -0.92 -0.13 0.00 0.00 0.00 0.00 61.98 60.81 1nqy s VAL 115 Cb -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.53 1nqy s VAL 115 CO 0.06 0.53 0.25 -0.89 0.00 0.00 0.00 175.10 175.05 1nqy s THR 116 N 0.59 5.14 -0.46 3.92 2.01 -0.18 -1.60 115.64 125.06 1nqy s THR 116 Ca -0.13 -0.46 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 1nqy s THR 116 Cb -0.17 -3.74 0.03 0.00 0.01 0.00 0.00 72.50 68.63 1nqy s THR 116 CO 0.04 -0.13 1.07 -2.16 -0.69 0.00 0.00 174.62 172.75 1nqy s PRO 117 N 1.68 3.70 -0.35 4.92 0.04 -1.26 -2.10 135.00 141.63 1nqy s PRO 117 Ca 0.05 0.49 -0.22 0.00 0.04 0.00 0.00 61.00 61.36 1nqy s PRO 117 Cb -0.18 -3.90 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1nqy s PRO 117 CO 0.10 -1.29 0.71 0.08 0.04 0.00 0.00 177.00 176.64 1nqy s VAL 118 N 4.18 4.82 0.26 -0.36 1.01 0.04 -1.22 120.40 129.12 1nqy s VAL 118 Ca 0.45 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 63.03 1nqy s VAL 118 Cb -0.08 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 32.08 1nqy s VAL 118 CO 0.29 -0.35 0.74 -0.76 0.00 0.00 0.00 175.10 175.03 1nqy s LEU 119 N 2.90 4.27 0.11 3.92 1.43 0.11 -0.64 118.68 130.78 1nqy s LEU 119 Ca 0.28 1.42 -0.21 0.00 -1.03 0.00 0.00 54.13 54.59 1nqy s LEU 119 Cb -0.14 -3.74 0.05 0.00 0.03 0.00 0.00 46.19 42.39 1nqy s LEU 119 CO 0.15 -0.04 0.52 -0.83 0.23 0.00 0.00 176.35 176.38 1nqy s GLY 120 N -1.80 -0.45 -0.04 -3.19 0.00 -0.80 -1.25 107.32 99.78 1nqy s GLY 120 Ca 0.46 0.38 0.06 0.00 0.00 0.00 0.00 44.72 45.63 1nqy s GLY 120 CO 0.20 0.08 -0.23 -1.60 0.00 0.00 0.00 173.10 171.55 1nqy s ARG 121 N -3.30 2.13 0.20 2.90 3.52 0.17 -1.20 118.95 123.38 1nqy s ARG 121 Ca -0.01 -0.83 0.07 0.00 -0.13 0.00 0.00 55.73 54.84 1nqy s ARG 121 Cb 0.00 -1.92 -0.05 0.00 -1.56 0.00 0.00 34.95 31.43 1nqy s ARG 121 CO -0.09 0.42 -0.14 0.96 -0.81 0.00 0.00 175.30 175.64 1nqy s ILE 122 N -0.31 1.67 0.47 4.11 -4.36 -0.52 -0.55 121.20 121.72 1nqy s ILE 122 Ca 0.02 -2.19 -0.21 0.00 -0.26 0.00 0.00 60.65 58.01 1nqy s ILE 122 Cb -0.11 -2.04 -0.08 0.00 1.25 0.00 0.00 42.46 41.47 1nqy s ILE 122 CO 0.01 -0.60 1.06 0.00 0.24 0.00 0.00 174.94 175.66 1nqy s ALA 123 N -3.01 2.91 0.34 2.27 0.00 -1.26 0.09 121.76 123.09 1nqy s ALA 123 Ca 0.22 0.68 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1nqy s ALA 123 Cb -0.00 -3.28 0.63 0.00 0.00 0.00 0.00 23.12 20.47 1nqy s ALA 123 CO 0.06 -0.37 1.97 -1.35 0.00 0.00 0.00 175.76 176.08 1nqy h PRO 124 N 1.78 0.86 0.00 0.00 0.11 -1.92 -1.83 132.00 131.00 1nqy h PRO 124 Ca -0.49 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1nqy h PRO 124 Cb 1.23 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1nqy h PRO 124 CO 0.60 0.57 -0.05 0.93 -0.21 0.00 0.00 178.00 179.83 1nqy h GLU 125 N 0.88 0.00 -0.44 1.05 3.07 -1.96 -2.49 114.58 114.69 1nqy h GLU 125 Ca 0.29 0.00 0.12 0.00 -0.50 0.00 0.00 59.36 59.27 1nqy h GLU 125 Cb 0.06 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1nqy h GLU 125 CO -0.08 0.05 0.31 0.00 -1.40 0.00 0.00 179.01 177.89 1nqy h ALA 126 N 1.95 2.34 -0.58 3.43 0.00 -1.70 -1.64 119.26 123.06 1nqy h ALA 126 Ca -0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1nqy h ALA 126 Cb 0.14 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1nqy h ALA 126 CO 0.01 -0.46 0.10 -0.07 0.00 0.00 0.00 179.25 178.83 1nqy h LEU 127 N 0.06 0.88 -1.05 0.00 3.38 -1.60 -3.28 115.31 113.70 1nqy h LEU 127 Ca 0.21 -0.19 0.15 0.00 0.09 0.00 0.00 57.88 58.14 1nqy h LEU 127 Cb 0.76 -0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 1nqy h LEU 127 CO -0.01 0.88 0.62 0.44 0.09 0.00 0.00 178.44 180.46 1nqy h ASP 128 N 0.88 0.84 -0.60 -0.43 3.45 -1.47 -2.78 116.42 116.30 1nqy h ASP 128 Ca 0.18 0.06 0.00 0.00 0.43 0.00 0.00 57.03 57.71 1nqy h ASP 128 Cb 0.38 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1nqy h ASP 128 CO 0.01 0.40 0.00 0.35 -1.57 0.00 0.00 179.24 178.42 1nqy n THR 129 N -4.66 1.75 -1.75 0.35 -2.24 -1.23 -4.97 114.28 101.52 1nqy n THR 129 Ca 0.20 -1.22 -0.33 0.00 -2.27 0.00 0.00 64.05 60.43 1nqy n THR 129 Cb 0.45 0.16 0.05 0.00 -2.10 0.00 0.00 70.33 68.88 1nqy n THR 129 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1nqy s LEU 130 N -1.79 3.41 -0.06 3.22 1.43 -1.05 -5.02 118.68 118.81 1nqy s LEU 130 Ca 0.48 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.64 1nqy s LEU 130 Cb 0.31 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 42.00 1nqy s LEU 130 CO 0.23 -1.68 -0.03 -0.60 0.23 0.00 0.00 176.35 174.50 1nqy s ARG 131 N -4.01 0.86 0.22 1.70 3.52 0.14 -5.03 118.95 116.34 1nqy s ARG 131 Ca 0.68 -0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.92 1nqy s ARG 131 Cb -0.22 -0.98 -0.08 0.00 -1.56 0.00 0.00 34.95 32.10 1nqy s ARG 131 CO 0.41 -0.17 1.04 0.54 -0.81 0.00 0.00 175.30 176.31 1nqy s VAL 132 N 1.35 3.87 0.48 7.11 0.11 -1.26 -3.47 120.40 128.59 1nqy s VAL 132 Ca -0.04 1.75 0.03 0.00 -2.93 0.00 0.00 61.98 60.79 1nqy s VAL 132 Cb -0.13 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.62 1nqy s VAL 132 CO -0.03 0.36 0.68 0.42 -3.33 0.00 0.00 175.10 173.21 1nqy s THR 133 N -0.74 3.16 0.38 5.04 -4.23 -0.61 -4.97 115.64 113.65 1nqy s THR 133 Ca 0.45 -0.73 0.17 0.00 -1.18 0.00 0.00 61.69 60.40 1nqy s THR 133 Cb -0.29 -3.14 0.37 0.00 1.34 0.00 0.00 72.50 70.78 1nqy s THR 133 CO 0.36 -0.09 1.74 -0.65 -0.54 0.00 0.00 174.62 175.44 1nqy h PRO 134 N 0.33 0.41 0.00 3.99 0.11 -1.95 -0.97 132.00 133.92 1nqy h PRO 134 Ca -0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1nqy h PRO 134 Cb 1.28 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1nqy h PRO 134 CO 0.52 0.27 -0.10 1.05 -0.21 0.00 0.00 178.00 179.52 1nqy h GLU 135 N 0.42 0.00 -5.24 1.05 4.11 -1.94 -3.42 114.58 109.55 1nqy h GLU 135 Ca 0.63 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 59.43 1nqy h GLU 135 Cb 1.52 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.57 1nqy h GLU 135 CO -0.37 0.10 -0.63 0.08 0.07 0.00 0.00 179.01 178.27 1nqy s VAL 136 N -4.47 4.25 0.01 -1.06 1.01 -0.37 -1.69 120.40 118.08 1nqy s VAL 136 Ca -0.04 -0.22 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 1nqy s VAL 136 Cb 0.15 -2.90 -0.35 0.00 0.00 0.00 0.00 36.38 33.28 1nqy s VAL 136 CO 0.61 0.46 0.94 0.00 0.00 0.00 0.00 175.10 177.12 1nqy h ALA 137 N 6.91 -0.12 -2.98 5.51 0.00 -1.10 -3.40 119.26 124.08 1nqy h ALA 137 Ca -0.34 -0.88 0.05 0.00 0.00 0.00 0.00 54.91 53.74 1nqy h ALA 137 Cb 1.18 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1nqy h ALA 137 CO 0.65 0.70 0.18 1.14 0.00 0.00 0.00 179.25 181.93 1nqy s GLN 138 N -2.58 1.75 -0.15 0.00 -2.07 -1.18 -5.02 119.66 110.41 1nqy s GLN 138 Ca -0.10 -1.01 0.00 0.00 -1.82 0.00 0.00 55.36 52.42 1nqy s GLN 138 Cb 0.04 0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 32.54 1nqy s GLN 138 CO 0.92 -0.79 -0.14 0.42 -1.32 0.00 0.00 175.29 174.38 1nqy s ILE 139 N -3.93 2.78 0.02 3.63 1.01 -1.26 -2.04 121.20 121.41 1nqy s ILE 139 Ca 0.12 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 60.12 1nqy s ILE 139 Cb -0.05 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1nqy s ILE 139 CO 0.07 0.51 -0.25 0.27 0.00 0.00 0.00 174.94 175.54 1nqy s ILE 140 N 0.71 2.03 -0.55 2.92 -4.36 -0.36 -5.01 121.20 116.58 1nqy s ILE 140 Ca -0.07 -1.27 0.05 0.00 -0.26 0.00 0.00 60.65 59.11 1nqy s ILE 140 Cb -0.15 -1.72 0.18 0.00 1.25 0.00 0.00 42.46 42.01 1nqy s ILE 140 CO 0.02 0.41 0.43 0.35 0.24 0.00 0.00 174.94 176.39 1nqy n THR 141 N 2.01 0.18 -1.99 8.37 -2.24 -1.26 -1.21 114.28 118.13 1nqy n THR 141 Ca -0.17 -4.15 -0.37 0.00 -2.27 0.00 0.00 64.05 57.10 1nqy n THR 141 Cb 0.52 -1.91 0.03 0.00 -2.10 0.00 0.00 70.33 66.86 1nqy n THR 141 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 1nqy s PRO 142 N -0.75 3.12 0.28 -0.78 0.02 -1.23 -4.58 135.00 131.08 1nqy s PRO 142 Ca 0.30 1.92 -0.13 0.00 0.02 0.00 0.00 61.00 63.10 1nqy s PRO 142 Cb 0.01 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 1nqy s PRO 142 CO -0.18 -1.11 0.66 -0.08 -0.33 0.00 0.00 177.00 175.96 1nqy s THR 143 N -1.51 4.77 0.39 0.99 -1.32 -1.26 -0.98 115.64 116.72 1nqy s THR 143 Ca 0.74 0.79 0.08 0.00 -1.21 0.00 0.00 61.69 62.09 1nqy s THR 143 Cb -0.33 -3.63 0.19 0.00 -1.51 0.00 0.00 72.50 67.23 1nqy s THR 143 CO 0.37 -0.10 1.96 -0.07 -2.21 0.00 0.00 174.62 174.56 1nqy h LEU 144 N 2.48 0.34 -0.40 9.08 3.38 -0.99 -1.91 115.31 127.29 1nqy h LEU 144 Ca -0.48 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1nqy h LEU 144 Cb 1.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1nqy h LEU 144 CO 0.67 0.39 0.08 0.00 0.09 0.00 0.00 178.44 179.67 1nqy h ALA 145 N 1.66 0.52 -0.29 1.53 0.00 -1.93 -1.72 119.26 119.03 1nqy h ALA 145 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nqy h ALA 145 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1nqy h ALA 145 CO 0.00 0.22 0.16 0.93 0.00 0.00 0.00 179.25 180.56 1nqy h GLU 146 N 0.50 0.40 -0.51 0.00 5.08 -1.83 -1.30 114.58 116.92 1nqy h GLU 146 Ca 0.12 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1nqy h GLU 146 Cb 0.34 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1nqy h GLU 146 CO 0.00 0.35 0.33 -0.07 -1.00 0.00 0.00 179.01 178.62 1nqy h LEU 147 N 0.35 0.58 -0.83 1.33 3.38 -1.24 -0.47 115.31 118.41 1nqy h LEU 147 Ca 0.10 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.94 1nqy h LEU 147 Cb 0.06 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1nqy h LEU 147 CO -0.02 0.43 -0.40 0.03 0.09 0.00 0.00 178.44 178.58 1nqy h ARG 148 N 0.69 0.38 0.00 1.13 3.08 -0.76 -3.23 114.38 115.67 1nqy h ARG 148 Ca 0.18 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1nqy h ARG 148 Cb -0.07 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1nqy h ARG 148 CO -0.04 0.72 -0.58 0.00 -1.07 0.00 0.00 179.97 179.01 1nqy h ALA 149 N 1.26 0.70 -2.91 0.04 0.00 -0.27 -3.48 119.26 114.61 1nqy h ALA 149 Ca 0.03 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.41 1nqy h ALA 149 Cb 0.84 0.00 0.11 0.00 0.00 0.00 0.00 17.79 18.75 1nqy h ALA 149 CO 0.07 0.00 0.55 0.08 0.00 0.00 0.00 179.25 179.95 1nqy s VAL 150 N -3.29 2.45 -1.18 0.00 1.01 -0.28 -4.86 120.40 114.26 1nqy s VAL 150 Ca 0.03 0.33 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1nqy s VAL 150 Cb 0.08 -3.16 -0.09 0.00 0.00 0.00 0.00 36.38 33.21 1nqy s VAL 150 CO 0.74 -0.01 1.94 -2.16 0.00 0.00 0.00 175.10 175.60 1nqy s PRO 151 N -2.91 2.49 0.26 2.72 0.04 -1.26 -4.92 135.00 131.42 1nqy s PRO 151 Ca 0.70 -1.14 -0.30 0.00 0.04 0.00 0.00 61.00 60.30 1nqy s PRO 151 Cb -0.36 -5.24 -0.14 0.00 0.04 0.00 0.00 34.50 28.81 1nqy s PRO 151 CO 0.42 -3.98 1.18 -0.11 0.04 0.00 0.00 177.00 174.55 1nqy n LEU 152 N 14.41 2.32 -4.63 -3.56 7.94 -1.26 -4.60 117.00 127.63 1nqy n LEU 152 Ca 0.45 1.17 -0.37 0.00 -1.11 0.00 0.00 56.01 56.14 1nqy n LEU 152 Cb 0.47 -1.34 -0.10 0.00 0.53 0.00 0.00 43.42 42.98 1nqy n LEU 152 CO 0.67 -1.02 -0.14 -0.69 -1.11 0.00 0.00 177.39 175.11 1nqy s VAL 153 N -0.64 5.31 -0.32 1.96 1.01 -0.22 -4.96 120.40 122.55 1nqy s VAL 153 Ca 0.63 0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1nqy s VAL 153 Cb -0.70 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.21 1nqy s VAL 153 CO 0.56 0.28 0.02 -0.13 0.00 0.00 0.00 175.10 175.84 1nqy s ARG 154 N 1.47 2.15 0.47 2.72 0.52 -1.26 -2.04 118.95 122.98 1nqy s ARG 154 Ca 0.09 -1.49 0.05 0.00 -0.52 0.00 0.00 55.73 53.86 1nqy s ARG 154 Cb -0.15 -3.20 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 1nqy s ARG 154 CO 0.08 -0.74 0.14 -1.21 0.02 0.00 0.00 175.30 173.59 1nqy s GLU 155 N 1.14 2.18 -0.05 3.54 2.02 -0.16 -4.95 118.70 122.42 1nqy s GLU 155 Ca -0.01 -2.10 -0.07 0.00 0.02 0.00 0.00 54.97 52.80 1nqy s GLU 155 Cb -0.20 -1.81 0.01 0.00 0.10 0.00 0.00 34.13 32.23 1nqy s GLU 155 CO -0.04 -0.29 0.18 0.50 0.02 0.00 0.00 175.26 175.63 1nqy s ARG 156 N -3.95 0.33 0.06 1.61 3.52 -1.26 -0.36 118.95 118.89 1nqy s ARG 156 Ca 0.27 0.04 0.01 0.00 -0.13 0.00 0.00 55.73 55.92 1nqy s ARG 156 Cb 0.03 0.15 -0.03 0.00 -1.56 0.00 0.00 34.95 33.53 1nqy s ARG 156 CO 0.15 -0.06 -0.06 1.03 -0.81 0.00 0.00 175.30 175.55 1nqy s ARG 157 N -0.43 0.63 -0.14 5.12 0.52 0.01 -4.95 118.95 119.70 1nqy s ARG 157 Ca -0.05 -1.05 -0.04 0.00 -0.52 0.00 0.00 55.73 54.07 1nqy s ARG 157 Cb -0.03 -0.10 -0.03 0.00 0.52 0.00 0.00 34.95 35.31 1nqy s ARG 157 CO 0.01 -0.02 -0.00 0.99 0.02 0.00 0.00 175.30 176.29 1nqy s THR 158 N -2.76 4.24 0.73 0.02 2.01 -1.26 -0.57 115.64 118.05 1nqy s THR 158 Ca 0.01 -0.24 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 1nqy s THR 158 Cb -0.01 -2.85 0.04 0.00 0.01 0.00 0.00 72.50 69.69 1nqy s THR 158 CO -0.04 0.52 1.11 -0.76 -0.69 0.00 0.00 174.62 174.76 1nqy s LEU 159 N 0.01 2.79 0.47 4.42 1.02 0.30 -4.91 118.68 122.77 1nqy s LEU 159 Ca 0.03 0.98 0.26 0.00 0.02 0.00 0.00 54.13 55.42 1nqy s LEU 159 Cb -0.13 -3.68 1.30 0.00 0.02 0.00 0.00 46.19 43.70 1nqy s LEU 159 CO 0.02 -1.51 1.81 -0.65 0.02 0.00 0.00 176.35 176.05 1nqy h PRO 160 N -0.75 0.20 -0.21 1.29 0.11 -2.00 0.12 132.00 130.77 1nqy h PRO 160 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1nqy h PRO 160 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1nqy h PRO 160 CO 0.64 0.14 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1nqy n ASP 161 N -4.42 1.66 0.00 -2.05 5.75 -1.26 -4.90 116.55 111.33 1nqy n ASP 161 Ca 0.23 -1.78 0.00 0.00 -0.01 0.00 0.00 54.79 53.24 1nqy n ASP 161 Cb 0.97 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.93 1nqy n ASP 161 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nqy n GLY 162 N 1.10 0.72 3.67 6.12 0.00 0.42 -5.04 105.19 112.17 1nqy n GLY 162 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1nqy n GLY 162 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nqy s THR 163 N -2.39 3.66 0.51 2.61 2.01 -1.25 -4.70 115.64 116.09 1nqy s THR 163 Ca 0.00 0.91 -0.19 0.00 0.31 0.00 0.00 61.69 62.72 1nqy s THR 163 Cb 0.00 -3.59 -0.07 0.00 0.01 0.00 0.00 72.50 68.85 1nqy s THR 163 CO 0.00 -0.05 1.05 -1.61 -0.69 0.00 0.00 174.62 173.32 1nqy s GLU 164 N 3.35 3.68 -0.13 4.92 2.02 -1.26 -0.54 118.70 130.73 1nqy s GLU 164 Ca 0.68 1.33 -0.08 0.00 0.02 0.00 0.00 54.97 56.93 1nqy s GLU 164 Cb -0.32 -2.08 0.05 0.00 0.10 0.00 0.00 34.13 31.88 1nqy s GLU 164 CO 0.27 -0.53 0.32 0.08 0.02 0.00 0.00 175.26 175.42 1nqy s VAL 165 N -2.08 -0.03 0.35 2.63 1.01 0.27 -4.90 120.40 117.64 1nqy s VAL 165 Ca 0.67 0.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.54 1nqy s VAL 165 Cb -0.16 -0.48 -0.10 0.00 0.00 0.00 0.00 36.38 35.64 1nqy s VAL 165 CO 0.24 0.04 0.87 -2.16 0.00 0.00 0.00 175.10 174.09 1nqy s PRO 166 N 1.14 4.28 -0.06 2.72 0.04 -1.26 -0.81 135.00 141.05 1nqy s PRO 166 Ca -0.08 1.05 0.03 0.00 0.04 0.00 0.00 61.00 62.04 1nqy s PRO 166 Cb -0.08 -2.50 0.01 0.00 0.04 0.00 0.00 34.50 31.97 1nqy s PRO 166 CO -0.09 0.15 -0.14 -0.51 0.04 0.00 0.00 177.00 176.45 1nqy s LEU 167 N -2.67 1.78 0.28 -3.56 1.43 0.51 -4.90 118.68 111.55 1nqy s LEU 167 Ca 0.55 -0.32 0.11 0.00 -1.03 0.00 0.00 54.13 53.43 1nqy s LEU 167 Cb -0.13 -0.88 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 1nqy s LEU 167 CO 0.18 0.08 -0.11 -0.31 0.23 0.00 0.00 176.35 176.42 1nqy s TYR 168 N 0.38 2.46 -0.12 0.29 1.51 -1.26 -0.99 117.35 119.62 1nqy s TYR 168 Ca -0.10 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.60 1nqy s TYR 168 Cb -0.14 -1.11 0.05 0.00 -0.11 0.00 0.00 41.96 40.65 1nqy s TYR 168 CO 0.03 0.66 0.27 1.03 -1.11 0.00 0.00 175.55 176.44 1nqy s ARG 169 N -3.59 0.22 -0.41 -0.62 0.52 -0.87 -3.94 118.95 110.26 1nqy s ARG 169 Ca 0.31 0.62 -0.08 0.00 -0.52 0.00 0.00 55.73 56.07 1nqy s ARG 169 Cb -0.05 -0.08 0.08 0.00 0.52 0.00 0.00 34.95 35.42 1nqy s ARG 169 CO 0.17 -0.19 0.24 0.71 0.02 0.00 0.00 175.30 176.25 1nqy s TYR 170 N 1.58 3.37 -0.61 -0.53 1.51 0.56 -1.05 117.35 122.18 1nqy s TYR 170 Ca -0.07 -1.70 -0.28 0.00 -1.01 0.00 0.00 57.07 54.01 1nqy s TYR 170 Cb -0.11 -2.96 0.02 0.00 -0.11 0.00 0.00 41.96 38.80 1nqy s TYR 170 CO -0.09 -0.87 1.33 -2.14 -1.11 0.00 0.00 175.55 172.67 1nqy s PRO 171 N 1.37 3.32 -0.12 -1.71 0.02 -1.26 -2.15 135.00 134.46 1nqy s PRO 171 Ca 0.03 0.25 0.01 0.00 0.02 0.00 0.00 61.00 61.31 1nqy s PRO 171 Cb -0.23 -4.11 0.02 0.00 0.02 0.00 0.00 34.50 30.20 1nqy s PRO 171 CO 0.01 -1.93 -0.14 -0.46 -0.33 0.00 0.00 177.00 174.15 1nqy s TRP 172 N 5.74 1.98 -0.98 6.54 -0.00 -0.46 -4.65 118.94 127.11 1nqy s TRP 172 Ca 0.46 -1.01 -0.03 0.00 -0.00 0.00 0.00 56.10 55.53 1nqy s TRP 172 Cb -0.09 -1.46 0.02 0.00 -0.00 0.00 0.00 33.47 31.94 1nqy s TRP 172 CO 0.23 -0.55 0.13 0.54 -0.00 0.00 0.00 176.95 177.31 1nqy n ARG 173 N 4.48 -2.65 -0.02 5.86 5.12 -1.26 0.10 116.66 128.30 1nqy n ARG 173 Ca -0.18 0.49 0.00 0.00 -1.93 0.00 0.00 57.85 56.23 1nqy n ARG 173 Cb 0.51 -5.10 0.00 0.00 -1.16 0.00 0.00 32.46 26.71 1nqy n ARG 173 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1nqy n GLY 174 N -0.87 1.03 3.91 -0.13 0.00 -1.26 -5.05 105.19 102.83 1nqy n GLY 174 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 1nqy n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nqy s LEU 175 N 0.00 4.24 -0.38 0.99 1.43 0.12 -5.08 118.68 120.00 1nqy s LEU 175 Ca 0.00 0.50 -0.04 0.00 -1.03 0.00 0.00 54.13 53.56 1nqy s LEU 175 Cb 0.00 -3.25 0.09 0.00 0.03 0.00 0.00 46.19 43.06 1nqy s LEU 175 CO 0.00 -0.00 0.15 -0.62 0.23 0.00 0.00 176.35 176.11 1nqy s ASP 176 N -2.82 5.22 -0.43 2.29 2.15 -1.26 -1.36 116.67 120.46 1nqy s ASP 176 Ca 0.40 -1.70 -0.21 0.00 0.43 0.00 0.00 52.55 51.47 1nqy s ASP 176 Cb -0.12 -1.82 0.02 0.00 -0.30 0.00 0.00 42.92 40.70 1nqy s ASP 176 CO 0.27 -0.45 0.65 -0.63 -0.17 0.00 0.00 175.17 174.84 1nqy s ILE 177 N 1.23 4.82 0.41 4.11 1.01 -0.91 -4.80 121.20 127.06 1nqy s ILE 177 Ca 0.03 0.17 0.05 0.00 0.00 0.00 0.00 60.65 60.90 1nqy s ILE 177 Cb -0.22 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.03 1nqy s ILE 177 CO -0.02 -0.59 0.18 -2.67 0.00 0.00 0.00 174.94 171.84 1nqy n TRP 178 N 6.28 -0.05 -4.66 3.97 4.27 -1.26 -0.32 117.44 125.67 1nqy n TRP 178 Ca -0.01 -2.76 0.00 0.00 -3.89 0.00 0.00 57.50 50.84 1nqy n TRP 178 Cb 0.48 0.06 0.00 0.00 -1.36 0.00 0.00 31.31 30.48 1nqy n TRP 178 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1nqy n GLY 179 N -0.88 1.75 0.34 -1.67 0.00 -1.25 -3.53 105.19 99.94 1nqy n GLY 179 Ca -0.03 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.43 1nqy n GLY 179 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1nqy h MET 180 N 0.00 0.91 -0.64 1.61 1.85 -1.90 -1.47 114.93 115.30 1nqy h MET 180 Ca 0.00 -0.05 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 1nqy h MET 180 Cb 0.00 -0.21 -0.03 0.00 0.43 0.00 0.00 31.60 31.79 1nqy h MET 180 CO 0.00 0.60 0.32 1.15 -0.40 0.00 0.00 176.91 178.59 1nqy h THR 181 N 0.94 1.21 0.00 -0.77 2.02 -1.89 -1.73 112.91 112.70 1nqy h THR 181 Ca 0.45 -0.59 -0.11 0.00 0.77 0.00 0.00 66.41 66.93 1nqy h THR 181 Cb 0.38 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1nqy h THR 181 CO -0.24 0.24 -0.54 0.00 0.37 0.00 0.00 175.52 175.35 1nqy h ALA 182 N 1.15 1.02 -0.37 6.16 0.00 -1.48 -0.59 119.26 125.14 1nqy h ALA 182 Ca 0.22 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 1nqy h ALA 182 Cb 0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nqy h ALA 182 CO -0.03 0.67 -0.31 -0.09 0.00 0.00 0.00 179.25 179.49 1nqy h ARG 183 N 0.00 0.82 -0.08 0.00 9.65 -0.85 -0.60 114.38 123.32 1nqy h ARG 183 Ca -0.01 -0.39 -0.24 0.00 -1.10 0.00 0.00 59.98 58.25 1nqy h ARG 183 Cb 1.01 -0.01 0.01 0.00 -1.39 0.00 0.00 29.97 29.59 1nqy h ARG 183 CO 0.07 1.02 -0.90 0.28 2.80 0.00 0.00 179.97 183.24 1nqy h VAL 184 N 0.69 1.28 -0.93 0.20 2.07 -1.10 -2.58 116.25 115.88 1nqy h VAL 184 Ca 0.08 -2.11 0.04 0.00 0.82 0.00 0.00 66.70 65.52 1nqy h VAL 184 Cb 0.86 2.17 -0.06 0.00 -1.52 0.00 0.00 31.29 32.74 1nqy h VAL 184 CO 0.08 0.66 0.60 0.25 0.02 0.00 0.00 177.57 179.18 1nqy h LEU 185 N 0.47 1.00 -0.42 2.57 5.85 -1.01 0.12 115.31 123.89 1nqy h LEU 185 Ca -0.09 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.49 1nqy h LEU 185 Cb 1.54 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 1nqy h LEU 185 CO 0.18 0.69 -0.28 -0.74 -0.34 0.00 0.00 178.44 177.95 1nqy h HIS 186 N 1.17 1.08 -0.59 1.25 2.76 -1.04 -0.19 115.15 119.59 1nqy h HIS 186 Ca 0.37 -0.29 -0.07 0.00 -2.20 0.00 0.00 60.37 58.18 1nqy h HIS 186 Cb 0.01 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.71 1nqy h HIS 186 CO -0.01 1.10 0.08 -0.44 -1.30 0.00 0.00 177.93 177.36 1nqy h ASP 187 N 0.75 0.91 -0.38 3.26 5.19 -1.02 -2.56 116.42 122.57 1nqy h ASP 187 Ca 0.08 -0.21 -0.03 0.00 -0.62 0.00 0.00 57.03 56.26 1nqy h ASP 187 Cb 0.86 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.11 1nqy h ASP 187 CO 0.08 0.92 0.12 0.25 -3.12 0.00 0.00 179.24 177.49 1nqy h LEU 188 N 0.90 0.56 0.00 1.55 5.85 -0.50 -2.44 115.31 121.22 1nqy h LEU 188 Ca 0.18 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1nqy h LEU 188 Cb 0.41 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1nqy h LEU 188 CO 0.01 0.62 0.00 0.18 -0.34 0.00 0.00 178.44 178.91 1nqy n LEU 189 N -4.61 0.00 -0.05 2.25 4.77 -0.11 -5.09 117.00 114.15 1nqy n LEU 189 Ca -0.01 0.42 0.01 0.00 -0.03 0.00 0.00 56.01 56.40 1nqy n LEU 189 Cb 0.18 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 40.85 1nqy n LEU 189 CO 0.38 -0.20 0.27 -0.62 -1.33 0.00 0.00 177.39 175.89