#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxi n SER 2 N 0.00 0.00 -4.77 6.12 7.64 -1.26 -4.93 113.62 116.42 1nxi n SER 2 Ca 0.00 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.52 1nxi n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1nxi n SER 2 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1nxi s HIS 3 N 0.00 3.38 0.00 1.43 5.65 -1.26 -5.05 115.29 119.45 1nxi s HIS 3 Ca 0.00 0.34 0.00 0.00 0.25 0.00 0.00 55.06 55.65 1nxi s HIS 3 Cb 0.00 -1.91 0.00 0.00 -1.18 0.00 0.00 32.58 29.49 1nxi s HIS 3 CO 0.00 0.55 0.00 1.04 -0.65 0.00 0.00 174.74 175.68 1nxi n GLN 4 N 2.28 0.00 0.00 2.88 1.13 -1.26 -5.11 117.38 117.30 1nxi n GLN 4 Ca -0.19 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 54.87 1nxi n GLN 4 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.89 1nxi n GLN 4 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1nxi n ASP 5 N -0.82 0.00 -4.76 1.08 5.68 -1.26 -5.12 116.55 111.36 1nxi n ASP 5 Ca 0.00 0.00 -0.40 0.00 -0.50 0.00 0.00 54.79 53.89 1nxi n ASP 5 Cb 0.00 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 39.93 1nxi n ASP 5 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1nxi s ASP 6 N -0.31 7.28 0.02 -1.12 1.11 -1.26 -5.04 116.67 117.35 1nxi s ASP 6 Ca 0.00 1.53 -0.22 0.00 0.18 0.00 0.00 52.55 54.03 1nxi s ASP 6 Cb 0.00 -2.48 -0.05 0.00 1.07 0.00 0.00 42.92 41.45 1nxi s ASP 6 CO 0.00 0.08 0.66 -0.31 1.18 0.00 0.00 175.17 176.78 1nxi s TYR 7 N -0.44 3.71 0.54 4.23 2.02 -1.26 -4.89 117.35 121.26 1nxi s TYR 7 Ca 0.38 1.31 0.00 0.00 -0.37 0.00 0.00 57.07 58.39 1nxi s TYR 7 Cb -0.21 -2.69 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 1nxi s TYR 7 CO 0.24 0.33 0.00 1.28 -1.57 0.00 0.00 175.55 175.83 1nxi n LEU 8 N 2.71 -0.94 0.00 -1.29 4.77 -1.26 -5.04 117.00 115.94 1nxi n LEU 8 Ca -0.05 2.18 0.00 0.00 -0.03 0.00 0.00 56.01 58.10 1nxi n LEU 8 Cb 0.51 -4.17 0.00 0.00 -2.33 0.00 0.00 43.42 37.42 1nxi n LEU 8 CO 0.45 -2.73 0.00 -1.20 -1.33 0.00 0.00 177.39 172.57 1nxi n SER 9 N -4.37 0.00 -0.40 -1.43 7.64 -1.26 -4.92 113.62 108.89 1nxi n SER 9 Ca -0.06 0.00 0.38 0.00 1.01 0.00 0.00 58.87 60.20 1nxi n SER 9 Cb 0.69 0.09 0.63 0.00 -1.01 0.00 0.00 64.21 64.61 1nxi n SER 9 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1nxi h VAL 10 N 0.00 0.05 -0.01 0.44 2.07 -2.01 2.92 116.25 119.73 1nxi h VAL 10 Ca 0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 1nxi h VAL 10 Cb 0.00 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.82 1nxi h VAL 10 CO 0.00 0.00 -0.73 -0.08 0.02 0.00 0.00 177.57 176.78 1nxi h GLU 11 N 0.00 0.05 -0.30 1.57 4.57 -1.99 -2.80 114.58 115.67 1nxi h GLU 11 Ca 0.65 -0.04 -0.09 0.00 -1.18 0.00 0.00 59.36 58.70 1nxi h GLU 11 Cb 3.10 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 31.70 1nxi h GLU 11 CO -0.01 0.76 -0.16 0.93 -1.18 0.00 0.00 179.01 179.35 1nxi h GLU 12 N 0.03 0.64 0.65 1.92 4.39 0.49 -1.23 114.58 121.47 1nxi h GLU 12 Ca -0.01 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.37 1nxi h GLU 12 Cb 1.29 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.93 1nxi h GLU 12 CO 0.10 0.87 -0.31 -0.07 -1.16 0.00 0.00 179.01 178.44 1nxi h LEU 13 N 0.39 -0.74 -0.42 1.33 3.38 -1.50 -2.56 115.31 115.19 1nxi h LEU 13 Ca 0.07 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.15 1nxi h LEU 13 Cb 0.68 0.19 -0.09 0.00 0.09 0.00 0.00 40.66 41.54 1nxi h LEU 13 CO 0.05 -0.45 -0.20 0.40 0.09 0.00 0.00 178.44 178.32 1nxi h ILE 14 N -1.02 0.40 -0.31 1.22 2.04 -1.58 0.18 117.51 118.45 1nxi h ILE 14 Ca -0.09 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1nxi h ILE 14 Cb 0.67 0.40 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1nxi h ILE 14 CO 0.15 0.00 -0.32 -0.33 0.00 0.00 0.00 178.15 177.64 1nxi h GLU 15 N -0.12 -0.17 0.98 2.37 4.39 -1.21 0.02 114.58 120.83 1nxi h GLU 15 Ca 0.20 0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.87 1nxi h GLU 15 Cb 0.44 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1nxi h GLU 15 CO -0.49 -0.11 -0.49 0.82 -1.16 0.00 0.00 179.01 177.58 1nxi h ILE 16 N -0.18 0.01 -1.17 3.13 2.04 -1.01 -2.01 117.51 118.32 1nxi h ILE 16 Ca 0.05 0.00 0.40 0.00 1.00 0.00 0.00 64.86 66.31 1nxi h ILE 16 Cb 0.32 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.30 1nxi h ILE 16 CO -0.38 0.00 0.77 0.00 0.00 0.00 0.00 178.15 178.54 1nxi n GLN 17 N -5.67 -0.03 0.04 2.37 6.02 0.59 -0.59 117.38 120.12 1nxi n GLN 17 Ca -0.17 0.99 -0.02 0.00 -0.01 0.00 0.00 57.00 57.80 1nxi n GLN 17 Cb 0.53 -1.99 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 1nxi n GLN 17 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 177.06 176.92 1nxi h LYS 18 N 0.00 -0.11 -1.40 -1.09 1.57 -0.26 -1.95 116.57 113.33 1nxi h LYS 18 Ca 0.72 0.01 0.48 0.00 -1.87 0.00 0.00 60.65 59.98 1nxi h LYS 18 Cb 2.39 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 34.59 1nxi h LYS 18 CO -0.33 -0.07 0.90 0.39 -0.57 0.00 0.00 179.45 179.77 1nxi n GLU 19 N -2.67 -0.03 0.16 3.15 1.02 0.24 -0.55 120.64 121.95 1nxi n GLU 19 Ca -0.01 1.24 -0.06 0.00 -0.02 0.00 0.00 57.16 58.30 1nxi n GLU 19 Cb 0.05 -2.45 -0.03 0.00 -0.02 0.00 0.00 31.44 28.98 1nxi n GLU 19 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1nxi h GLU 20 N 0.00 -0.41 -0.88 3.49 4.39 -1.09 -2.37 114.58 117.72 1nxi h GLU 20 Ca 0.88 0.03 0.25 0.00 0.34 0.00 0.00 59.36 60.85 1nxi h GLU 20 Cb 2.86 0.09 -0.16 0.00 -0.10 0.00 0.00 28.75 31.44 1nxi h GLU 20 CO -0.44 -0.27 0.04 2.41 -1.16 0.00 0.00 179.01 179.59 1nxi n THR 21 N -3.68 -0.37 -0.37 1.13 -1.04 0.29 0.30 114.28 110.54 1nxi n THR 21 Ca -0.05 1.93 -0.02 0.00 -2.04 0.00 0.00 64.05 63.86 1nxi n THR 21 Cb 0.17 -2.82 0.11 0.00 -1.82 0.00 0.00 70.33 65.96 1nxi n THR 21 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1nxi h ARG 22 N 0.00 1.27 -0.52 -2.82 3.08 -1.30 0.28 114.38 114.37 1nxi h ARG 22 Ca 0.54 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.51 1nxi h ARG 22 Cb 1.14 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1nxi h ARG 22 CO -0.82 0.84 0.31 0.22 -1.07 0.00 0.00 179.97 179.45 1nxi h ASP 23 N 1.31 0.63 0.38 7.04 3.58 0.51 0.13 116.42 129.99 1nxi h ASP 23 Ca 0.37 -0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.73 1nxi h ASP 23 Cb -0.12 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1nxi h ASP 23 CO -0.09 0.51 -0.18 0.40 -2.88 0.00 0.00 179.24 177.00 1nxi h ILE 24 N 0.69 0.00 -1.09 2.25 2.04 -0.59 -2.25 117.51 118.56 1nxi h ILE 24 Ca 0.19 -0.21 0.32 0.00 1.00 0.00 0.00 64.86 66.16 1nxi h ILE 24 Cb 0.00 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 35.96 1nxi h ILE 24 CO -0.03 0.00 0.67 0.40 0.00 0.00 0.00 178.15 179.19 1nxi h ILE 25 N -0.71 0.38 -0.65 -0.67 5.03 -0.98 0.65 117.51 120.55 1nxi h ILE 25 Ca -0.05 -0.11 -0.01 0.00 -0.12 0.00 0.00 64.86 64.56 1nxi h ILE 25 Cb 0.39 0.02 -0.03 0.00 -3.03 0.00 0.00 36.82 34.16 1nxi h ILE 25 CO 0.09 0.06 0.37 1.56 -0.68 0.00 0.00 178.15 179.54 1nxi h GLN 26 N 0.33 0.90 0.06 2.37 1.08 -0.63 -0.76 115.11 118.46 1nxi h GLN 26 Ca 0.69 -0.10 -0.00 0.00 -1.45 0.00 0.00 58.65 57.79 1nxi h GLN 26 Cb 1.75 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 1nxi h GLN 26 CO -0.43 0.67 -0.03 0.00 -0.95 0.00 0.00 178.83 178.10 1nxi h ALA 27 N 1.18 -0.08 0.34 3.87 0.00 0.88 -0.41 119.26 125.04 1nxi h ALA 27 Ca 0.23 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nxi h ALA 27 Cb 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1nxi h ALA 27 CO -0.04 -0.42 -0.41 -0.07 0.00 0.00 0.00 179.25 178.31 1nxi h LEU 28 N -0.34 -1.16 -0.57 0.00 3.38 -1.09 0.74 115.31 116.27 1nxi h LEU 28 Ca -0.01 0.10 0.11 0.00 0.09 0.00 0.00 57.88 58.17 1nxi h LEU 28 Cb 0.30 0.39 -0.11 0.00 0.09 0.00 0.00 40.66 41.33 1nxi h LEU 28 CO 0.01 -0.52 -0.14 -0.07 0.09 0.00 0.00 178.44 177.81 1nxi h LEU 29 N -0.77 -0.53 -0.97 1.67 -0.00 -1.17 0.41 115.31 113.94 1nxi h LEU 29 Ca -0.04 0.17 0.18 0.00 -0.00 0.00 0.00 57.88 58.18 1nxi h LEU 29 Cb 0.69 0.35 -0.10 0.00 -0.00 0.00 0.00 40.66 41.60 1nxi h LEU 29 CO -0.09 -0.19 0.57 -0.08 -0.00 0.00 0.00 178.44 178.66 1nxi h GLU 30 N -0.00 0.73 -0.14 1.13 4.57 -0.46 -0.51 114.58 119.90 1nxi h GLU 30 Ca 0.27 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.41 1nxi h GLU 30 Cb 0.41 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 1nxi h GLU 30 CO -0.58 0.48 0.08 -0.44 -1.18 0.00 0.00 179.01 177.37 1nxi h ASP 31 N 0.75 0.17 0.00 1.04 3.32 0.22 -3.47 116.42 118.45 1nxi h ASP 31 Ca 0.55 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.54 1nxi h ASP 31 Cb 0.82 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1nxi h ASP 31 CO -0.37 0.19 0.00 0.61 -1.72 0.00 0.00 179.24 177.94 1nxi n GLY 32 N -0.97 0.43 3.79 2.75 0.00 -0.20 -5.11 105.19 105.89 1nxi n GLY 32 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1nxi n GLY 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nxi s SER 33 N -0.85 4.42 0.11 1.61 1.04 -1.21 -5.03 113.70 113.78 1nxi s SER 33 Ca 0.00 1.37 0.04 0.00 0.48 0.00 0.00 55.95 57.84 1nxi s SER 33 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.98 1nxi s SER 33 CO 0.00 -2.03 -0.11 -1.81 0.98 0.00 0.00 173.24 170.28 1nxi s ASP 34 N -3.81 1.58 0.00 7.02 1.01 -1.26 -4.72 116.67 116.48 1nxi s ASP 34 Ca 0.61 -0.85 0.09 0.00 0.71 0.00 0.00 52.55 53.11 1nxi s ASP 34 Cb -0.15 -0.00 0.53 0.00 1.01 0.00 0.00 42.92 44.31 1nxi s ASP 34 CO 0.55 -0.26 0.99 -0.81 0.21 0.00 0.00 175.17 175.85 1nxi n PRO 35 N 0.42 0.52 0.00 8.23 -0.04 -1.26 -2.51 135.00 140.36 1nxi n PRO 35 Ca -0.15 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 1nxi n PRO 35 Cb 0.58 -1.27 0.26 0.00 -0.04 0.00 0.00 33.50 33.03 1nxi n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1nxi n ASP 36 N -0.77 1.01 -1.41 3.54 9.92 -1.26 -3.78 116.55 123.80 1nxi n ASP 36 Ca 0.07 -0.81 0.11 0.00 -0.53 0.00 0.00 54.79 53.63 1nxi n ASP 36 Cb 0.03 0.27 0.33 0.00 -0.64 0.00 0.00 41.12 41.11 1nxi n ASP 36 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nxi n ALA 37 N -0.86 2.66 -1.18 2.24 0.00 -1.05 -5.06 120.51 117.26 1nxi n ALA 37 Ca 0.10 -1.35 0.14 0.00 0.00 0.00 0.00 53.44 52.32 1nxi n ALA 37 Cb 0.36 -0.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 1nxi n ALA 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1nxi n LEU 38 N 1.40 -0.63 -3.65 0.00 7.99 -1.25 -4.98 117.00 115.88 1nxi n LEU 38 Ca 0.24 1.43 -0.15 0.00 -0.01 0.00 0.00 56.01 57.52 1nxi n LEU 38 Cb 0.70 -3.79 -0.07 0.00 -0.11 0.00 0.00 43.42 40.15 1nxi n LEU 38 CO 0.19 -2.33 0.21 -0.31 -1.51 0.00 0.00 177.39 173.64 1nxi s TYR 39 N -3.01 -0.39 -0.26 -1.77 1.51 -0.21 -4.80 117.35 108.44 1nxi s TYR 39 Ca 0.00 0.61 -0.08 0.00 -1.01 0.00 0.00 57.07 56.59 1nxi s TYR 39 Cb 0.00 0.24 -0.03 0.00 -0.11 0.00 0.00 41.96 42.06 1nxi s TYR 39 CO 0.00 -0.50 0.10 -1.21 -1.11 0.00 0.00 175.55 172.83 1nxi s GLU 40 N -1.42 3.72 -0.18 -0.62 8.01 -1.26 -0.86 118.70 126.08 1nxi s GLU 40 Ca -0.12 -0.44 -0.06 0.00 0.01 0.00 0.00 54.97 54.36 1nxi s GLU 40 Cb -0.03 -3.41 -0.03 0.00 -4.31 0.00 0.00 34.13 26.36 1nxi s GLU 40 CO 0.06 -0.19 0.02 0.42 0.01 0.00 0.00 175.26 175.58 1nxi s ILE 41 N 1.65 4.35 -0.07 -1.63 1.09 -1.00 -3.71 121.20 121.87 1nxi s ILE 41 Ca 0.06 -0.19 0.04 0.00 -1.10 0.00 0.00 60.65 59.47 1nxi s ILE 41 Cb -0.15 -2.95 -0.02 0.00 -1.06 0.00 0.00 42.46 38.28 1nxi s ILE 41 CO 0.05 0.45 -0.19 -0.70 -0.10 0.00 0.00 174.94 174.46 1nxi s GLU 42 N 0.60 2.73 0.11 2.79 2.12 0.16 -1.15 118.70 126.05 1nxi s GLU 42 Ca 0.01 -0.79 0.09 0.00 0.36 0.00 0.00 54.97 54.64 1nxi s GLU 42 Cb -0.14 -2.34 -0.04 0.00 0.26 0.00 0.00 34.13 31.88 1nxi s GLU 42 CO 0.02 0.42 -0.20 -1.01 -0.54 0.00 0.00 175.26 173.95 1nxi s HIS 43 N -0.22 2.50 -0.10 5.30 3.76 0.49 -0.68 115.29 126.34 1nxi s HIS 43 Ca -0.01 -0.28 0.03 0.00 -0.15 0.00 0.00 55.06 54.66 1nxi s HIS 43 Cb -0.13 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.21 1nxi s HIS 43 CO 0.03 0.37 -0.21 -1.01 -0.85 0.00 0.00 174.74 173.07 1nxi s HIS 44 N -1.11 2.61 -0.04 1.40 0.09 0.47 -1.12 115.29 117.59 1nxi s HIS 44 Ca 0.17 -0.82 -0.02 0.00 -0.00 0.00 0.00 55.06 54.40 1nxi s HIS 44 Cb -0.10 -1.72 0.03 0.00 -0.00 0.00 0.00 32.58 30.78 1nxi s HIS 44 CO 0.09 -0.29 0.08 -0.51 -0.00 0.00 0.00 174.74 174.11 1nxi s LEU 45 N 0.18 1.13 0.27 0.89 1.02 -1.04 -3.66 118.68 117.46 1nxi s LEU 45 Ca -0.12 0.15 0.07 0.00 0.02 0.00 0.00 54.13 54.25 1nxi s LEU 45 Cb -0.16 0.15 -0.06 0.00 0.02 0.00 0.00 46.19 46.15 1nxi s LEU 45 CO 0.07 -0.11 -0.08 0.72 0.02 0.00 0.00 176.35 176.96 1nxi s PHE 46 N 0.84 1.93 0.19 0.29 -0.71 -1.26 -1.77 117.98 117.49 1nxi s PHE 46 Ca -0.07 -0.65 -0.11 0.00 -1.04 0.00 0.00 56.93 55.06 1nxi s PHE 46 Cb -0.09 -1.05 -0.00 0.00 -1.21 0.00 0.00 43.02 40.67 1nxi s PHE 46 CO -0.03 0.32 0.38 0.00 -1.34 0.00 0.00 175.22 174.55 1nxi s ALA 47 N -2.97 -0.21 -0.18 1.99 0.00 -0.94 -3.73 121.76 115.71 1nxi s ALA 47 Ca 0.28 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.56 1nxi s ALA 47 Cb 0.02 0.94 -0.18 0.00 0.00 0.00 0.00 23.12 23.90 1nxi s ALA 47 CO 0.11 -0.73 -0.04 0.39 0.00 0.00 0.00 175.76 175.49 1nxi n GLU 48 N -0.29 0.99 -3.44 0.00 1.02 -1.26 -3.43 120.64 114.23 1nxi n GLU 48 Ca -0.06 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1nxi n GLU 48 Cb 0.63 -1.43 -0.10 0.00 -0.02 0.00 0.00 31.44 30.52 1nxi n GLU 48 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1nxi s ASP 49 N -5.45 6.12 0.63 1.62 1.01 -1.26 -4.92 116.67 114.43 1nxi s ASP 49 Ca -0.16 -0.89 0.26 0.00 0.71 0.00 0.00 52.55 52.46 1nxi s ASP 49 Cb 0.06 -2.17 1.33 0.00 1.01 0.00 0.00 42.92 43.15 1nxi s ASP 49 CO 0.60 -0.48 1.76 -0.26 0.21 0.00 0.00 175.17 177.00 1nxi h PHE 50 N 8.65 0.00 0.27 4.23 0.04 -1.99 -2.07 116.94 126.07 1nxi h PHE 50 Ca -0.27 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.49 1nxi h PHE 50 Cb 1.12 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.27 1nxi h PHE 50 CO 0.57 0.00 -0.13 -0.44 -0.60 0.00 0.00 178.31 177.71 1nxi h ASP 51 N 0.00 -0.31 -0.21 2.17 3.32 -2.01 -2.06 116.42 117.33 1nxi h ASP 51 Ca 0.13 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1nxi h ASP 51 Cb 1.22 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.83 1nxi h ASP 51 CO -0.00 -0.22 0.11 0.07 -1.72 0.00 0.00 179.24 177.48 1nxi h LYS 52 N -0.36 0.33 -0.70 3.56 2.10 -1.85 -2.26 116.57 117.39 1nxi h LYS 52 Ca -0.04 -0.03 0.08 0.00 -2.00 0.00 0.00 60.65 58.66 1nxi h LYS 52 Cb 0.28 -0.07 -0.07 0.00 -0.90 0.00 0.00 32.23 31.47 1nxi h LYS 52 CO 0.06 0.27 0.36 1.25 -2.00 0.00 0.00 179.45 179.39 1nxi h LEU 53 N 0.34 0.50 -0.10 7.07 6.46 -1.25 0.13 115.31 128.46 1nxi h LEU 53 Ca 0.09 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.84 1nxi h LEU 53 Cb 0.05 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.94 1nxi h LEU 53 CO -0.01 0.30 -0.17 -0.08 -0.62 0.00 0.00 178.44 177.86 1nxi h GLU 54 N 0.64 0.29 -0.72 1.25 4.57 -0.79 -1.82 114.58 118.00 1nxi h GLU 54 Ca 0.33 -0.18 0.05 0.00 -1.18 0.00 0.00 59.36 58.39 1nxi h GLU 54 Cb 0.31 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.86 1nxi h GLU 54 CO -0.24 0.76 0.43 0.87 -1.18 0.00 0.00 179.01 179.66 1nxi h LYS 55 N -0.15 0.78 -0.36 1.92 1.57 -1.14 -0.09 116.57 119.10 1nxi h LYS 55 Ca 0.01 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1nxi h LYS 55 Cb 0.75 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.87 1nxi h LYS 55 CO 0.04 0.51 -0.28 0.00 -0.57 0.00 0.00 179.45 179.15 1nxi h ALA 56 N 1.35 0.82 -0.05 3.86 0.00 -0.75 -2.72 119.26 121.77 1nxi h ALA 56 Ca 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1nxi h ALA 56 Cb 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1nxi h ALA 56 CO -0.16 0.64 0.00 0.00 0.00 0.00 0.00 179.25 179.73 1nxi h ALA 57 N 1.03 0.06 0.31 0.00 0.00 -0.53 -2.17 119.26 117.97 1nxi h ALA 57 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1nxi h ALA 57 Cb 0.80 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1nxi h ALA 57 CO 0.07 -0.28 -0.43 0.28 0.00 0.00 0.00 179.25 178.89 1nxi h VAL 58 N -0.20 0.00 -0.82 0.00 2.07 -1.01 -0.43 116.25 115.86 1nxi h VAL 58 Ca 0.01 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.73 1nxi h VAL 58 Cb 0.31 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 29.95 1nxi h VAL 58 CO 0.00 0.00 0.20 -0.08 0.02 0.00 0.00 177.57 177.71 1nxi h GLU 59 N -0.77 0.23 -0.54 1.57 4.57 -1.53 0.25 114.58 118.36 1nxi h GLU 59 Ca -0.04 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 58.17 1nxi h GLU 59 Cb 0.70 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 1nxi h GLU 59 CO -0.11 0.15 0.30 0.00 -1.18 0.00 0.00 179.01 178.17 1nxi h ALA 60 N 1.71 0.70 -0.90 2.92 0.00 -0.67 0.93 119.26 123.96 1nxi h ALA 60 Ca 0.49 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.50 1nxi h ALA 60 Cb 0.92 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1nxi h ALA 60 CO -0.60 -0.02 0.55 0.35 0.00 0.00 0.00 179.25 179.53 1nxi h PHE 61 N 0.58 1.01 0.00 0.00 3.04 0.11 0.11 116.94 121.79 1nxi h PHE 61 Ca 0.23 0.03 -0.07 0.00 3.98 0.00 0.00 57.97 62.14 1nxi h PHE 61 Cb 0.10 -0.32 -0.01 0.00 2.56 0.00 0.00 35.95 38.28 1nxi h PHE 61 CO -0.08 0.45 -0.33 -0.22 -2.02 0.00 0.00 178.31 176.11 1nxi h LYS 62 N 0.94 0.00 -0.03 1.11 3.64 -0.64 -3.20 116.57 118.39 1nxi h LYS 62 Ca 0.42 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.62 1nxi h LYS 62 Cb 0.32 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 1nxi h LYS 62 CO -0.22 0.33 -0.69 0.52 -2.27 0.00 0.00 179.45 177.11 1nxi h MET 63 N 0.00 0.53 0.00 1.90 2.86 0.15 -3.48 114.93 116.89 1nxi h MET 63 Ca -0.00 -0.52 0.00 0.00 -2.06 0.00 0.00 59.70 57.11 1nxi h MET 63 Cb 0.99 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.79 1nxi h MET 63 CO 0.04 1.15 0.00 0.41 1.06 0.00 0.00 176.91 179.58 1nxi n GLY 64 N 0.97 0.25 3.15 8.32 0.00 0.08 -5.09 105.19 112.88 1nxi n GLY 64 Ca -0.10 -0.21 0.04 0.00 0.00 0.00 0.00 46.02 45.75 1nxi n GLY 64 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nxi s PHE 65 N 0.00 -1.30 -0.89 1.61 0.08 -1.21 -4.83 117.98 111.43 1nxi s PHE 65 Ca 0.00 1.28 -0.24 0.00 0.12 0.00 0.00 56.93 58.08 1nxi s PHE 65 Cb 0.00 0.42 -0.19 0.00 -0.57 0.00 0.00 43.02 42.68 1nxi s PHE 65 CO 0.00 -0.72 2.21 0.39 -0.10 0.00 0.00 175.22 176.99 1nxi n GLU 66 N 5.43 0.30 -1.82 0.44 -0.58 0.42 -4.41 120.64 120.41 1nxi n GLU 66 Ca -0.01 -1.15 -0.41 0.00 -0.42 0.00 0.00 57.16 55.17 1nxi n GLU 66 Cb 0.52 -3.55 -0.00 0.00 -0.57 0.00 0.00 31.44 27.84 1nxi n GLU 66 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1nxi s VAL 67 N 14.63 2.09 0.07 2.62 0.11 -1.26 -1.27 120.40 137.39 1nxi s VAL 67 Ca 0.86 0.09 0.10 0.00 -2.93 0.00 0.00 61.98 60.10 1nxi s VAL 67 Cb -0.12 -3.06 -0.03 0.00 -1.53 0.00 0.00 36.38 31.63 1nxi s VAL 67 CO 0.15 0.02 -0.26 -0.22 -3.33 0.00 0.00 175.10 171.46 1nxi s LEU 68 N -2.12 2.23 0.92 2.54 2.96 0.16 -4.92 118.68 120.45 1nxi s LEU 68 Ca 0.53 -0.63 -0.15 0.00 -0.22 0.00 0.00 54.13 53.66 1nxi s LEU 68 Cb -0.46 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.92 1nxi s LEU 68 CO 0.62 0.24 0.03 1.21 -1.32 0.00 0.00 176.35 177.12 1nxi n GLU 69 N 1.51 -0.12 -3.08 1.98 2.13 -1.26 -2.33 120.64 119.48 1nxi n GLU 69 Ca -0.17 -0.01 -0.17 0.00 0.66 0.00 0.00 57.16 57.47 1nxi n GLU 69 Cb 0.52 -1.56 0.01 0.00 0.27 0.00 0.00 31.44 30.68 1nxi n GLU 69 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nxi s ALA 70 N -2.20 4.48 -0.19 4.31 0.00 -1.26 -4.16 121.76 122.74 1nxi s ALA 70 Ca 0.53 -1.67 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 1nxi s ALA 70 Cb -0.23 -1.59 0.06 0.00 0.00 0.00 0.00 23.12 21.36 1nxi s ALA 70 CO 0.71 -0.26 0.05 -2.00 0.00 0.00 0.00 175.76 174.26 1nxi s GLU 71 N -4.32 0.53 -0.39 0.00 2.12 -1.21 -4.85 118.70 110.57 1nxi s GLU 71 Ca 0.54 -0.37 -0.35 0.00 0.36 0.00 0.00 54.97 55.15 1nxi s GLU 71 Cb -0.10 -2.04 -0.15 0.00 0.26 0.00 0.00 34.13 32.10 1nxi s GLU 71 CO 0.33 -0.66 1.57 -0.85 -0.54 0.00 0.00 175.26 175.10 1nxi n GLU 72 N 5.09 0.00 0.00 4.30 -0.00 -1.26 -4.48 120.64 124.29 1nxi n GLU 72 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.08 1nxi n GLU 72 Cb 0.47 -1.17 0.00 0.00 -0.00 0.00 0.00 31.44 30.75 1nxi n GLU 72 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 1nxi n THR 73 N 4.60 0.00 -3.64 3.84 5.66 -1.05 -4.92 114.28 118.77 1nxi n THR 73 Ca 0.38 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 61.34 1nxi n THR 73 Cb -0.03 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.68 1nxi n THR 73 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1nxi s GLU 74 N 4.35 0.37 0.00 1.09 -1.05 -1.23 -3.83 118.70 118.40 1nxi s GLU 74 Ca 0.00 0.52 0.00 0.00 -0.15 0.00 0.00 54.97 55.34 1nxi s GLU 74 Cb 0.00 0.13 0.00 0.00 -0.44 0.00 0.00 34.13 33.82 1nxi s GLU 74 CO 0.00 -0.06 0.00 -0.25 0.95 0.00 0.00 175.26 175.90 1nxi n ASP 75 N 2.78 0.00 -1.13 0.83 8.00 -1.26 -4.72 116.55 121.05 1nxi n ASP 75 Ca -0.15 0.00 0.02 0.00 0.71 0.00 0.00 54.79 55.37 1nxi n ASP 75 Cb 0.57 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.68 1nxi n ASP 75 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1nxi n GLU 76 N 0.00 0.00 0.02 -1.24 2.13 -1.26 -4.91 120.64 115.38 1nxi n GLU 76 Ca 0.00 -1.58 0.00 0.00 0.66 0.00 0.00 57.16 56.24 1nxi n GLU 76 Cb 0.00 -0.13 0.00 0.00 0.27 0.00 0.00 31.44 31.58 1nxi n GLU 76 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1nxi n ASP 77 N 0.30 -0.00 0.00 4.31 8.00 -1.26 -5.06 116.55 122.84 1nxi n ASP 77 Ca 0.02 0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1nxi n ASP 77 Cb 0.97 0.05 0.00 0.00 -0.02 0.00 0.00 41.12 42.12 1nxi n ASP 77 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nxi n GLY 78 N 1.72 0.00 3.96 0.44 0.00 -1.26 -5.14 105.19 104.91 1nxi n GLY 78 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1nxi n GLY 78 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1nxi s ASN 79 N 0.00 6.32 -0.46 1.61 3.04 -1.26 -5.01 114.94 119.18 1nxi s ASN 79 Ca 0.00 0.15 -0.12 0.00 0.04 0.00 0.00 52.86 52.94 1nxi s ASN 79 Cb 0.00 -1.90 0.09 0.00 -1.54 0.00 0.00 41.25 37.91 1nxi s ASN 79 CO 0.00 -0.10 0.35 -0.75 -3.04 0.00 0.00 177.10 173.56 1nxi s LYS 80 N -3.95 2.72 0.31 0.43 2.20 -1.26 -3.48 119.74 116.72 1nxi s LYS 80 Ca 0.35 -1.54 0.04 0.00 -0.36 0.00 0.00 55.97 54.46 1nxi s LYS 80 Cb -0.09 -3.97 -0.06 0.00 -1.51 0.00 0.00 37.83 32.19 1nxi s LYS 80 CO 0.30 -1.08 0.03 -0.48 -0.36 0.00 0.00 175.35 173.76 1nxi s LEU 81 N 1.49 2.25 -0.13 5.43 0.05 -1.25 -4.95 118.68 121.57 1nxi s LEU 81 Ca 0.04 -1.34 -0.06 0.00 0.05 0.00 0.00 54.13 52.82 1nxi s LEU 81 Cb -0.25 -0.43 -0.04 0.00 -2.05 0.00 0.00 46.19 43.42 1nxi s LEU 81 CO 0.03 -0.55 0.10 -0.76 -0.55 0.00 0.00 176.35 174.61 1nxi s LEU 82 N -3.47 4.15 -0.30 1.48 1.02 -1.22 -2.53 118.68 117.80 1nxi s LEU 82 Ca 0.35 0.34 -0.02 0.00 0.02 0.00 0.00 54.13 54.81 1nxi s LEU 82 Cb 0.08 -2.01 0.10 0.00 0.02 0.00 0.00 46.19 44.38 1nxi s LEU 82 CO 0.14 0.35 0.11 0.00 0.02 0.00 0.00 176.35 176.98 1nxi s PHE 84 N 1.83 3.52 0.39 0.00 -0.71 -0.73 -3.36 117.98 118.92 1nxi s PHE 84 Ca 0.10 0.55 0.08 0.00 -1.04 0.00 0.00 56.93 56.61 1nxi s PHE 84 Cb -0.17 -2.06 -0.04 0.00 -1.21 0.00 0.00 43.02 39.54 1nxi s PHE 84 CO -0.30 -0.02 0.23 -0.51 -1.34 0.00 0.00 175.22 173.27 1nxi s ASP 85 N -3.99 4.70 -0.13 1.98 1.01 -0.98 -2.49 116.67 116.77 1nxi s ASP 85 Ca 0.43 -0.88 -0.04 0.00 0.71 0.00 0.00 52.55 52.77 1nxi s ASP 85 Cb -0.10 -0.59 0.06 0.00 1.01 0.00 0.00 42.92 43.30 1nxi s ASP 85 CO 0.39 -0.49 0.14 0.00 0.21 0.00 0.00 175.17 175.42 1nxi s ALA 86 N -2.50 0.02 0.15 5.23 0.00 -0.27 0.40 121.76 124.77 1nxi s ALA 86 Ca 0.42 0.22 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1nxi s ALA 86 Cb -0.00 -0.96 -0.04 0.00 0.00 0.00 0.00 23.12 22.12 1nxi s ALA 86 CO 0.24 -0.86 0.31 0.95 0.00 0.00 0.00 175.76 176.40 1nxi s THR 87 N 2.25 5.29 -0.29 0.00 -4.23 -0.40 -0.38 115.64 117.89 1nxi s THR 87 Ca 0.04 -0.49 0.02 0.00 -1.18 0.00 0.00 61.69 60.09 1nxi s THR 87 Cb -0.14 -3.71 0.18 0.00 1.34 0.00 0.00 72.50 70.17 1nxi s THR 87 CO -0.08 -0.06 0.52 -0.32 -0.54 0.00 0.00 174.62 174.14 1nxi s MET 88 N -3.08 0.50 -0.09 3.99 0.00 -0.30 0.16 119.30 120.47 1nxi s MET 88 Ca 0.36 0.54 -0.30 0.00 0.00 0.00 0.00 55.69 56.29 1nxi s MET 88 Cb -0.11 0.08 -0.04 0.00 0.00 0.00 0.00 34.83 34.76 1nxi s MET 88 CO 0.28 -0.90 1.49 -1.14 0.00 0.00 0.00 175.02 174.75 1nxi s GLN 89 N 2.73 4.21 0.05 4.11 2.00 -1.26 -2.38 119.66 129.11 1nxi s GLN 89 Ca 0.13 1.97 -0.21 0.00 -2.00 0.00 0.00 55.36 55.25 1nxi s GLN 89 Cb -0.12 -3.87 0.05 0.00 0.80 0.00 0.00 33.01 29.86 1nxi s GLN 89 CO -0.25 -0.77 0.48 0.45 -0.50 0.00 0.00 175.29 174.70 1nxi s SER 90 N 2.71 -0.38 0.83 6.67 0.15 -0.04 -4.96 113.70 118.70 1nxi s SER 90 Ca 0.66 0.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.34 1nxi s SER 90 Cb -0.29 0.47 0.09 0.00 -1.71 0.00 0.00 66.02 64.58 1nxi s SER 90 CO 0.24 -0.71 0.20 0.00 1.20 0.00 0.00 173.24 174.16 1nxi n ALA 91 N 0.40 -1.20 -3.51 5.45 0.00 -1.26 -1.04 120.51 119.35 1nxi n ALA 91 Ca -0.18 -0.35 -0.36 0.00 0.00 0.00 0.00 53.44 52.55 1nxi n ALA 91 Cb 0.60 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.89 1nxi n ALA 91 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1nxi s LEU 92 N 0.00 4.01 -0.29 0.00 2.96 -1.26 -4.40 118.68 119.71 1nxi s LEU 92 Ca 0.15 -1.22 -0.11 0.00 -0.22 0.00 0.00 54.13 52.73 1nxi s LEU 92 Cb -0.03 -1.76 0.11 0.00 0.50 0.00 0.00 46.19 45.01 1nxi s LEU 92 CO 0.13 -0.28 0.64 -0.62 -1.32 0.00 0.00 176.35 174.90 1nxi s ASP 93 N 1.30 -1.03 0.22 3.68 2.15 -1.26 -4.78 116.67 116.95 1nxi s ASP 93 Ca -0.04 1.51 -0.07 0.00 0.43 0.00 0.00 52.55 54.38 1nxi s ASP 93 Cb -0.20 1.97 0.35 0.00 -0.30 0.00 0.00 42.92 44.75 1nxi s ASP 93 CO 0.00 -0.23 1.74 0.00 -0.17 0.00 0.00 175.17 176.51 1nxi h ALA 94 N 7.72 0.90 0.16 3.66 0.00 -1.97 -0.85 119.26 128.88 1nxi h ALA 94 Ca -0.22 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1nxi h ALA 94 Cb 1.14 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nxi h ALA 94 CO 0.12 -0.19 -0.11 -0.22 0.00 0.00 0.00 179.25 178.84 1nxi h LYS 95 N 0.43 -0.25 -0.91 0.00 1.63 -1.98 0.13 116.57 115.61 1nxi h LYS 95 Ca 0.35 0.02 0.18 0.00 -0.85 0.00 0.00 60.65 60.35 1nxi h LYS 95 Cb 0.48 0.06 -0.17 0.00 -0.60 0.00 0.00 32.23 31.99 1nxi h LYS 95 CO -0.35 -0.17 -0.24 1.25 -3.45 0.00 0.00 179.45 176.49 1nxi h LEU 96 N -0.26 -0.89 -2.51 5.20 7.12 -1.92 3.07 115.31 125.11 1nxi h LEU 96 Ca -0.02 0.27 -0.00 0.00 0.13 0.00 0.00 57.88 58.26 1nxi h LEU 96 Cb 0.21 0.58 -0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1nxi h LEU 96 CO 0.01 -0.30 -0.01 0.40 -0.13 0.00 0.00 178.44 178.41 1nxi h ILE 97 N -0.00 0.06 -0.18 4.05 2.04 -0.87 -1.52 117.51 121.08 1nxi h ILE 97 Ca 0.43 -0.17 -0.21 0.00 1.00 0.00 0.00 64.86 65.91 1nxi h ILE 97 Cb 0.66 1.15 0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1nxi h ILE 97 CO -0.94 0.01 -0.72 -0.78 0.00 0.00 0.00 178.15 175.72 1nxi h ASP 98 N 0.00 0.93 0.02 1.72 1.82 0.84 -2.28 116.42 119.46 1nxi h ASP 98 Ca -0.00 -0.58 -0.12 0.00 -0.39 0.00 0.00 57.03 55.94 1nxi h ASP 98 Cb 0.15 -0.27 0.01 0.00 0.68 0.00 0.00 39.33 39.90 1nxi h ASP 98 CO 0.00 1.38 -0.48 -0.33 -1.61 0.00 0.00 179.24 178.20 1nxi h GLU 99 N 0.56 0.29 -0.27 0.28 5.08 -0.77 -2.07 114.58 117.69 1nxi h GLU 99 Ca -0.04 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.04 1nxi h GLU 99 Cb 1.34 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.64 1nxi h GLU 99 CO 0.15 1.05 -0.09 1.96 -1.00 0.00 0.00 179.01 181.09 1nxi h GLN 100 N -0.33 -0.03 0.82 2.33 1.08 -1.38 -0.44 115.11 117.16 1nxi h GLN 100 Ca -0.07 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1nxi h GLN 100 Cb 1.24 0.01 0.01 0.00 -0.05 0.00 0.00 27.48 28.68 1nxi h GLN 100 CO 0.09 -0.02 -0.39 0.28 -0.95 0.00 0.00 178.83 177.84 1nxi h VAL 101 N -0.03 0.13 -0.99 -0.54 2.07 -1.49 -2.32 116.25 113.08 1nxi h VAL 101 Ca 0.13 -0.11 0.37 0.00 0.82 0.00 0.00 66.70 67.91 1nxi h VAL 101 Cb 0.23 0.14 -0.17 0.00 -1.52 0.00 0.00 31.29 29.97 1nxi h VAL 101 CO -0.29 0.01 0.43 -0.08 0.02 0.00 0.00 177.57 177.65 1nxi h GLU 102 N -1.19 0.06 -0.59 1.57 4.22 -1.09 1.50 114.58 119.07 1nxi h GLU 102 Ca -0.11 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.31 1nxi h GLU 102 Cb 0.85 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 1nxi h GLU 102 CO 0.18 0.04 0.30 -0.22 -2.18 0.00 0.00 179.01 177.13 1nxi h LYS 103 N 0.06 0.83 0.50 1.92 1.63 -0.60 -1.04 116.57 119.88 1nxi h LYS 103 Ca 0.77 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 60.43 1nxi h LYS 103 Cb 1.90 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.38 1nxi h LYS 103 CO -0.77 0.66 -0.24 -0.07 -3.45 0.00 0.00 179.45 175.58 1nxi h LEU 104 N 0.80 -0.57 -1.32 5.20 3.38 0.26 -1.96 115.31 121.10 1nxi h LEU 104 Ca 0.20 0.02 0.36 0.00 0.09 0.00 0.00 57.88 58.55 1nxi h LEU 104 Cb 0.09 0.15 -0.12 0.00 0.09 0.00 0.00 40.66 40.86 1nxi h LEU 104 CO -0.03 -0.34 0.74 0.58 0.09 0.00 0.00 178.44 179.47 1nxi h VAL 105 N -0.80 0.28 0.10 1.22 2.07 -1.18 0.37 116.25 118.30 1nxi h VAL 105 Ca -0.07 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1nxi h VAL 105 Cb 0.52 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.33 1nxi h VAL 105 CO 0.11 0.04 -0.05 0.78 0.02 0.00 0.00 177.57 178.48 1nxi h ASN 106 N 0.22 -0.11 0.23 0.57 2.35 -0.93 -1.78 115.58 116.14 1nxi h ASN 106 Ca 0.73 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 56.33 1nxi h ASN 106 Cb 2.07 0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.47 1nxi h ASN 106 CO -0.42 0.08 -0.11 0.25 -1.65 0.00 0.00 177.43 175.58 1nxi h LEU 107 N -0.30 -0.27 -0.90 1.61 5.85 0.35 -0.44 115.31 121.22 1nxi h LEU 107 Ca -0.01 -0.20 0.25 0.00 0.84 0.00 0.00 57.88 58.76 1nxi h LEU 107 Cb 0.25 0.07 -0.15 0.00 0.37 0.00 0.00 40.66 41.20 1nxi h LEU 107 CO 0.02 0.07 0.26 0.00 -0.34 0.00 0.00 178.44 178.45 1nxi h ALA 108 N 0.05 1.36 0.00 1.25 0.00 -0.69 1.64 119.26 122.87 1nxi h ALA 108 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nxi h ALA 108 Cb 0.45 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1nxi h ALA 108 CO 0.05 -0.50 0.00 0.93 0.00 0.00 0.00 179.25 179.74 1nxi h GLU 109 N 0.20 0.00 0.00 0.00 4.39 -1.16 -2.57 114.58 115.44 1nxi h GLU 109 Ca 0.58 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.17 1nxi h GLU 109 Cb 1.20 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1nxi h GLU 109 CO -0.67 0.00 -0.52 -0.22 -1.16 0.00 0.00 179.01 176.44 1nxi h LYS 110 N 0.00 0.00 0.00 2.33 3.11 0.41 -3.40 116.57 119.02 1nxi h LYS 110 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1nxi h LYS 110 Cb 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 1nxi h LYS 110 CO 0.00 0.52 0.00 1.19 -2.81 0.00 0.00 179.45 178.35 1nxi n PHE 111 N -3.46 0.00 0.00 1.91 3.72 -0.64 -5.05 117.46 113.94 1nxi n PHE 111 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1nxi n PHE 111 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 1nxi n PHE 111 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1nxi n ASP 112 N -1.75 0.00 -4.62 4.37 8.00 -1.10 -5.11 116.55 116.34 1nxi n ASP 112 Ca 0.00 0.00 -0.26 0.00 0.71 0.00 0.00 54.79 55.24 1nxi n ASP 112 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 1nxi n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1nxi s ILE 113 N 0.00 2.22 -0.40 0.53 -4.36 -0.99 -4.84 121.20 113.36 1nxi s ILE 113 Ca 0.00 -1.99 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 1nxi s ILE 113 Cb 0.00 -2.88 0.10 0.00 1.25 0.00 0.00 42.46 40.93 1nxi s ILE 113 CO 0.00 -0.08 0.19 -0.51 0.24 0.00 0.00 174.94 174.78 1nxi s ILE 114 N -2.63 3.33 -0.38 8.37 1.10 -1.24 -4.39 121.20 125.36 1nxi s ILE 114 Ca 0.35 -1.96 -0.20 0.00 -0.51 0.00 0.00 60.65 58.34 1nxi s ILE 114 Cb 0.05 -3.24 0.01 0.00 0.15 0.00 0.00 42.46 39.43 1nxi s ILE 114 CO 0.19 -0.63 0.61 -0.47 -2.11 0.00 0.00 174.94 172.52 1nxi s TYR 115 N 1.17 3.14 -0.51 3.50 5.04 -1.26 -4.22 117.35 124.21 1nxi s TYR 115 Ca 0.07 0.21 0.06 0.00 -2.44 0.00 0.00 57.07 54.97 1nxi s TYR 115 Cb -0.23 -3.14 0.19 0.00 0.35 0.00 0.00 41.96 39.13 1nxi s TYR 115 CO -0.04 -0.67 0.75 0.16 -1.34 0.00 0.00 175.55 174.41 1nxi s ASP 116 N 1.84 -1.39 0.00 4.32 -4.77 -1.24 -4.91 116.67 110.52 1nxi s ASP 116 Ca 0.23 -1.66 0.00 0.00 -3.30 0.00 0.00 52.55 47.81 1nxi s ASP 116 Cb -0.15 1.82 0.00 0.00 -1.09 0.00 0.00 42.92 43.51 1nxi s ASP 116 CO 0.16 -0.05 0.00 0.61 0.70 0.00 0.00 175.17 176.59 1nxi n GLY 117 N 2.93 -1.64 3.40 2.12 0.00 -1.26 -4.97 105.19 105.77 1nxi n GLY 117 Ca 0.18 0.90 -0.28 0.00 0.00 0.00 0.00 46.02 46.81 1nxi n GLY 117 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1nxi s TRP 118 N 0.00 2.31 0.06 1.61 1.48 -1.26 -0.40 118.94 122.74 1nxi s TRP 118 Ca 0.00 -0.37 -0.26 0.00 -1.06 0.00 0.00 56.10 54.40 1nxi s TRP 118 Cb 0.00 -1.22 0.09 0.00 -1.16 0.00 0.00 33.47 31.18 1nxi s TRP 118 CO 0.00 0.38 0.77 0.20 -4.06 0.00 0.00 176.95 174.24 1nxi s GLY 119 N -2.21 -0.53 0.23 3.67 0.00 0.14 -4.97 107.32 103.65 1nxi s GLY 119 Ca 0.16 0.81 0.02 0.00 0.00 0.00 0.00 44.72 45.71 1nxi s GLY 119 CO 0.07 0.27 0.04 -1.08 0.00 0.00 0.00 173.10 172.41 1nxi s THR 120 N -3.35 0.73 0.23 0.90 -1.32 -1.26 -0.67 115.64 110.91 1nxi s THR 120 Ca 0.03 -2.00 0.08 0.00 -1.21 0.00 0.00 61.69 58.59 1nxi s THR 120 Cb -0.01 -2.43 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 1nxi s THR 120 CO -0.10 -0.21 0.07 -0.31 -2.21 0.00 0.00 174.62 171.85 1nxi s TYR 121 N -3.63 2.89 1.29 9.09 1.51 -1.24 -5.03 117.35 122.24 1nxi s TYR 121 Ca 0.32 -0.15 -0.22 0.00 -1.01 0.00 0.00 57.07 56.01 1nxi s TYR 121 Cb 0.07 -1.33 0.32 0.00 -0.11 0.00 0.00 41.96 40.92 1nxi s TYR 121 CO 0.10 0.56 1.08 -0.47 -1.11 0.00 0.00 175.55 175.70 1nxi s TYR 122 N -2.07 -0.13 -0.15 2.71 5.04 -1.26 -4.60 117.35 116.89 1nxi s TYR 122 Ca 0.31 0.39 -0.07 0.00 -2.44 0.00 0.00 57.07 55.27 1nxi s TYR 122 Cb -0.08 -3.38 -0.04 0.00 0.35 0.00 0.00 41.96 38.81 1nxi s TYR 122 CO 0.21 -4.33 0.08 -1.21 -1.34 0.00 0.00 175.55 168.97 1nxi s GLU 123 N -5.45 3.65 -0.24 4.97 8.01 -1.26 -4.77 118.70 123.60 1nxi s GLU 123 Ca 0.72 -0.28 -0.07 0.00 0.01 0.00 0.00 54.97 55.35 1nxi s GLU 123 Cb -0.08 -3.15 0.03 0.00 -4.31 0.00 0.00 34.13 26.62 1nxi s GLU 123 CO 0.56 0.51 0.14 0.41 0.01 0.00 0.00 175.26 176.89 1nxi n GLY 124 N 2.79 -4.85 2.87 -1.39 0.00 -1.26 -4.99 105.19 98.37 1nxi n GLY 124 Ca -0.18 1.24 -0.30 0.00 0.00 0.00 0.00 46.02 46.77 1nxi n GLY 124 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1nxi s LEU 125 N -1.09 3.42 -0.59 0.99 2.34 -1.26 -5.06 118.68 117.43 1nxi s LEU 125 Ca -0.16 -1.86 -0.31 0.00 0.06 0.00 0.00 54.13 51.86 1nxi s LEU 125 Cb 0.01 -1.23 -0.13 0.00 -0.56 0.00 0.00 46.19 44.28 1nxi s LEU 125 CO 0.79 -0.39 2.42 -0.62 -1.06 0.00 0.00 176.35 177.49 1nxi n GLU 126 N 4.56 0.74 -0.92 1.48 -0.58 -1.26 -4.55 120.64 120.12 1nxi n GLU 126 Ca 0.00 0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.79 1nxi n GLU 126 Cb 0.42 -2.51 -0.06 0.00 -0.57 0.00 0.00 31.44 28.72 1nxi n GLU 126 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 1nxi n HIS 127 N 12.12 0.00 -3.10 -0.32 8.25 -1.26 -5.14 115.22 125.77 1nxi n HIS 127 Ca 0.47 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1nxi n HIS 127 Cb 0.28 0.46 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1nxi n HIS 127 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1nxi n HIS 128 N 0.00 -0.09 -3.95 4.41 -0.00 -1.26 -4.96 115.22 109.37 1nxi n HIS 128 Ca -0.24 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.11 1nxi n HIS 128 Cb 0.66 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.66 1nxi n HIS 128 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1nxi n HIS 129 N 0.00 -1.66 -4.01 1.57 -0.00 -1.26 -4.95 115.22 104.91 1nxi n HIS 129 Ca 0.00 0.36 -0.12 0.00 -0.00 0.00 0.00 57.72 57.97 1nxi n HIS 129 Cb 0.00 -2.83 -0.12 0.00 -0.00 0.00 0.00 29.99 27.04 1nxi n HIS 129 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1nxi s HIS 130 N -3.33 0.35 0.00 -1.40 2.46 -1.26 -5.09 115.29 107.01 1nxi s HIS 130 Ca 0.32 -0.35 0.00 0.00 0.47 0.00 0.00 55.06 55.50 1nxi s HIS 130 Cb -0.17 -0.22 0.00 0.00 -0.13 0.00 0.00 32.58 32.06 1nxi s HIS 130 CO 0.94 -0.10 0.48 0.72 -2.47 0.00 0.00 174.74 174.31 1nxi n HIS 131 N 2.07 0.00 -0.76 3.88 8.25 -1.26 -5.26 115.22 122.14 1nxi n HIS 131 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 1nxi n HIS 131 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 1nxi n HIS 131 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59