#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nxt s LYS 3 N 0.00 3.71 -0.15 1.97 2.20 -1.26 -0.77 119.74 125.44 1nxt s LYS 3 Ca 0.00 -0.46 -0.04 0.00 -0.36 0.00 0.00 55.97 55.11 1nxt s LYS 3 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1nxt s LYS 3 CO 0.00 -0.08 -0.02 0.42 -0.36 0.00 0.00 175.35 175.31 1nxt s ILE 4 N 1.32 4.07 -0.28 5.43 1.01 0.17 -1.02 121.20 131.90 1nxt s ILE 4 Ca 0.05 -0.30 -0.10 0.00 0.00 0.00 0.00 60.65 60.30 1nxt s ILE 4 Cb -0.15 -2.78 -0.03 0.00 0.01 0.00 0.00 42.46 39.51 1nxt s ILE 4 CO 0.03 0.50 0.16 -0.22 0.00 0.00 0.00 174.94 175.41 1nxt s LEU 5 N 0.19 3.93 -0.32 2.97 2.96 -0.81 -1.07 118.68 126.53 1nxt s LEU 5 Ca -0.01 -0.18 -0.10 0.00 -0.22 0.00 0.00 54.13 53.62 1nxt s LEU 5 Cb -0.13 -2.05 -0.01 0.00 0.50 0.00 0.00 46.19 44.50 1nxt s LEU 5 CO 0.02 -0.09 0.18 -0.63 -1.32 0.00 0.00 176.35 174.51 1nxt s ILE 6 N 1.70 4.75 -0.44 6.68 1.01 -0.36 -1.69 121.20 132.85 1nxt s ILE 6 Ca 0.06 -0.42 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 1nxt s ILE 6 Cb -0.16 -3.45 0.08 0.00 0.01 0.00 0.00 42.46 38.95 1nxt s ILE 6 CO 0.08 0.02 0.30 -0.69 0.00 0.00 0.00 174.94 174.66 1nxt s VAL 7 N 1.63 4.43 -0.20 2.92 1.01 -0.05 -1.37 120.40 128.78 1nxt s VAL 7 Ca 0.05 -1.39 -0.10 0.00 0.00 0.00 0.00 61.98 60.53 1nxt s VAL 7 Cb -0.17 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1nxt s VAL 7 CO 0.07 -0.56 0.47 -0.62 0.00 0.00 0.00 175.10 174.46 1nxt s ASP 8 N 2.32 -0.60 0.00 3.32 3.68 -0.47 -4.36 116.67 120.56 1nxt s ASP 8 Ca 0.04 1.04 0.28 0.00 2.13 0.00 0.00 52.55 56.03 1nxt s ASP 8 Cb -0.24 0.97 1.06 0.00 -1.45 0.00 0.00 42.92 43.26 1nxt s ASP 8 CO 0.03 -0.21 1.75 -0.90 0.13 0.00 0.00 175.17 175.97 1nxt n ASP 9 N 4.38 1.17 -4.38 -0.34 5.75 -1.26 -4.18 116.55 117.68 1nxt n ASP 9 Ca -0.21 -1.22 -0.39 0.00 -0.01 0.00 0.00 54.79 52.96 1nxt n ASP 9 Cb 0.55 0.03 -0.12 0.00 -1.03 0.00 0.00 41.12 40.55 1nxt n ASP 9 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 1nxt s GLU 10 N -2.17 3.07 0.33 0.11 8.01 -1.26 -4.99 118.70 121.80 1nxt s GLU 10 Ca 0.34 -0.89 0.02 0.00 0.01 0.00 0.00 54.97 54.45 1nxt s GLU 10 Cb 0.21 -3.56 0.59 0.00 -4.31 0.00 0.00 34.13 27.06 1nxt s GLU 10 CO 0.40 -0.52 1.97 -0.22 0.01 0.00 0.00 175.26 176.90 1nxt h LYS 11 N 8.34 0.91 -0.71 1.61 1.63 -1.99 -0.54 116.57 125.82 1nxt h LYS 11 Ca -0.29 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1nxt h LYS 11 Cb 1.12 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 1nxt h LYS 11 CO 0.63 0.60 0.45 -1.35 -3.45 0.00 0.00 179.45 176.33 1nxt h PRO 12 N 0.94 0.95 -0.13 1.90 0.11 -1.98 -0.81 132.00 132.98 1nxt h PRO 12 Ca 0.29 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 66.15 1nxt h PRO 12 Cb 0.01 -0.21 0.01 0.00 0.11 0.00 0.00 31.00 30.93 1nxt h PRO 12 CO -0.08 0.65 -0.63 0.82 -0.21 0.00 0.00 178.00 178.55 1nxt h ILE 13 N 0.97 1.32 -0.34 4.15 1.08 -1.83 -2.56 117.51 120.29 1nxt h ILE 13 Ca 0.26 -1.89 0.06 0.00 -0.39 0.00 0.00 64.86 62.90 1nxt h ILE 13 Cb -0.07 2.10 -0.06 0.00 -3.07 0.00 0.00 36.82 35.72 1nxt h ILE 13 CO -0.05 0.58 -0.02 -1.28 -0.69 0.00 0.00 178.15 176.69 1nxt h SER 14 N 0.31 -0.18 -0.59 1.72 0.87 -1.10 -1.53 113.55 113.05 1nxt h SER 14 Ca -0.04 0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1nxt h SER 14 Cb 1.27 0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 63.36 1nxt h SER 14 CO 0.13 -0.05 0.33 0.44 -0.53 0.00 0.00 176.83 177.15 1nxt h ASP 15 N 0.07 0.75 -0.22 6.23 3.45 -1.11 -0.16 116.42 125.43 1nxt h ASP 15 Ca 0.17 -0.06 -0.02 0.00 0.43 0.00 0.00 57.03 57.55 1nxt h ASP 15 Cb 0.24 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.81 1nxt h ASP 15 CO -0.30 0.61 0.04 0.40 -1.57 0.00 0.00 179.24 178.42 1nxt h ILE 16 N 0.85 1.22 -0.43 0.35 2.04 -0.94 -0.13 117.51 120.47 1nxt h ILE 16 Ca 0.22 -0.72 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1nxt h ILE 16 Cb 0.03 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1nxt h ILE 16 CO -0.03 0.23 0.10 0.40 0.00 0.00 0.00 178.15 178.84 1nxt h ILE 17 N 0.16 1.23 0.03 -0.67 2.04 -1.15 -1.90 117.51 117.26 1nxt h ILE 17 Ca 0.07 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.12 1nxt h ILE 17 Cb 0.30 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 1nxt h ILE 17 CO 0.00 0.29 -0.13 0.50 0.00 0.00 0.00 178.15 178.82 1nxt h LYS 18 N 0.56 -0.22 -0.60 2.37 3.64 -0.89 0.10 116.57 121.54 1nxt h LYS 18 Ca 0.13 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 1nxt h LYS 18 Cb 0.33 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.14 1nxt h LYS 18 CO 0.00 -0.15 0.28 0.35 -2.27 0.00 0.00 179.45 177.67 1nxt h PHE 19 N -0.23 0.50 -0.23 1.91 3.57 -0.91 0.69 116.94 122.23 1nxt h PHE 19 Ca 0.03 0.03 -0.18 0.00 3.53 0.00 0.00 57.97 61.38 1nxt h PHE 19 Cb 0.27 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 38.87 1nxt h PHE 19 CO -0.17 0.20 -0.54 -0.91 -2.23 0.00 0.00 178.31 174.66 1nxt h ASN 20 N 0.51 0.88 -0.17 0.41 -0.26 -1.07 -2.17 115.58 113.71 1nxt h ASN 20 Ca 0.28 -0.56 -0.11 0.00 -0.56 0.00 0.00 56.30 55.36 1nxt h ASN 20 Cb 0.26 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.26 1nxt h ASN 20 CO -0.23 1.28 -0.25 0.24 -1.06 0.00 0.00 177.43 177.41 1nxt h MET 21 N 0.52 0.64 -0.61 0.81 2.86 -0.70 -2.66 114.93 115.79 1nxt h MET 21 Ca -0.00 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 1nxt h MET 21 Cb 1.16 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 1nxt h MET 21 CO 0.12 0.83 0.22 1.15 1.06 0.00 0.00 176.91 180.29 1nxt h THR 22 N 0.56 1.24 -0.15 2.22 2.02 -0.81 -1.54 112.91 116.44 1nxt h THR 22 Ca 0.08 -0.77 0.03 0.00 0.77 0.00 0.00 66.41 66.52 1nxt h THR 22 Cb 0.72 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1nxt h THR 22 CO 0.06 0.30 0.11 0.11 0.37 0.00 0.00 175.52 176.46 1nxt h LYS 23 N 0.86 0.06 -0.00 6.66 1.57 -1.30 0.36 116.57 124.78 1nxt h LYS 23 Ca 0.20 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1nxt h LYS 23 Cb 0.24 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1nxt h LYS 23 CO -0.01 0.04 -0.05 0.39 -0.57 0.00 0.00 179.45 179.25 1nxt n GLU 24 N -4.50 0.88 -0.39 3.15 -0.58 -1.01 -4.92 120.64 113.27 1nxt n GLU 24 Ca 0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 57.16 56.50 1nxt n GLU 24 Cb 0.19 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 1nxt n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1nxt n GLY 25 N 1.19 0.79 3.81 0.62 0.00 0.12 -5.08 105.19 106.64 1nxt n GLY 25 Ca 0.18 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1nxt n GLY 25 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nxt s TYR 26 N -2.00 3.55 0.03 1.61 1.51 -0.61 -4.52 117.35 116.92 1nxt s TYR 26 Ca 0.00 1.55 -0.30 0.00 -1.01 0.00 0.00 57.07 57.31 1nxt s TYR 26 Cb 0.00 -2.76 -0.04 0.00 -0.11 0.00 0.00 41.96 39.05 1nxt s TYR 26 CO 0.00 0.16 0.97 -2.00 -1.11 0.00 0.00 175.55 173.57 1nxt s GLU 27 N -2.41 4.60 -0.14 -0.62 2.12 0.05 -4.23 118.70 118.07 1nxt s GLU 27 Ca 0.51 1.43 -0.02 0.00 0.36 0.00 0.00 54.97 57.25 1nxt s GLU 27 Cb -0.15 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 1nxt s GLU 27 CO 0.20 0.03 -0.09 0.08 -0.54 0.00 0.00 175.26 174.94 1nxt s VAL 28 N 0.70 3.38 0.10 3.70 1.01 -1.26 -0.66 120.40 127.37 1nxt s VAL 28 Ca 0.50 -0.54 0.08 0.00 0.00 0.00 0.00 61.98 62.03 1nxt s VAL 28 Cb -0.22 -2.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.67 1nxt s VAL 28 CO 0.29 0.51 -0.18 0.68 0.00 0.00 0.00 175.10 176.40 1nxt s VAL 29 N 0.42 2.85 0.23 2.92 -7.23 -0.23 -4.99 120.40 114.37 1nxt s VAL 29 Ca -0.07 -1.41 0.10 0.00 -1.81 0.00 0.00 61.98 58.79 1nxt s VAL 29 Cb -0.15 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.46 1nxt s VAL 29 CO 0.04 0.16 -0.19 0.42 -0.31 0.00 0.00 175.10 175.22 1nxt s THR 30 N -1.09 2.20 -0.11 5.32 -4.23 -1.26 -1.23 115.64 115.24 1nxt s THR 30 Ca 0.17 -2.21 -0.20 0.00 -1.18 0.00 0.00 61.69 58.28 1nxt s THR 30 Cb -0.11 -2.13 0.05 0.00 1.34 0.00 0.00 72.50 71.65 1nxt s THR 30 CO 0.09 -0.37 0.48 0.00 -0.54 0.00 0.00 174.62 174.29 1nxt s ALA 31 N -2.35 -1.22 -0.34 3.99 0.00 -0.47 -4.90 121.76 116.47 1nxt s ALA 31 Ca 0.24 1.07 0.03 0.00 0.00 0.00 0.00 51.96 53.30 1nxt s ALA 31 Cb -0.05 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.74 1nxt s ALA 31 CO 0.11 -0.27 0.73 1.19 0.00 0.00 0.00 175.76 177.52 1nxt n PHE 32 N 1.93 0.04 -3.88 0.00 3.01 -1.26 -1.37 117.46 115.92 1nxt n PHE 32 Ca -0.17 -0.14 -0.10 0.00 1.01 0.00 0.00 57.45 58.05 1nxt n PHE 32 Cb 0.56 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 40.02 1nxt n PHE 32 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1nxt s ASN 33 N -0.47 0.13 0.22 4.37 2.20 -1.26 -4.08 114.94 116.06 1nxt s ASN 33 Ca 0.04 -1.12 -0.03 0.00 -0.94 0.00 0.00 52.86 50.81 1nxt s ASN 33 Cb 0.03 0.78 0.22 0.00 -2.00 0.00 0.00 41.25 40.28 1nxt s ASN 33 CO 0.04 -1.53 1.64 1.23 -2.94 0.00 0.00 177.10 175.54 1nxt h GLY 34 N 2.04 0.78 0.68 0.45 0.00 -1.91 -1.24 103.07 103.86 1nxt h GLY 34 Ca -0.29 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 1nxt h GLY 34 CO 0.37 0.60 -0.01 -0.09 0.00 0.00 0.00 176.54 177.42 1nxt h ARG 35 N 0.63 0.08 -0.87 4.80 2.43 -1.98 -2.45 114.38 117.01 1nxt h ARG 35 Ca 0.09 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1nxt h ARG 35 Cb 0.73 -0.01 -0.06 0.00 -0.42 0.00 0.00 29.97 30.22 1nxt h ARG 35 CO 0.06 0.40 0.57 0.93 -1.51 0.00 0.00 179.97 180.42 1nxt h GLU 36 N -0.26 0.93 -0.22 0.20 5.08 -1.96 -1.79 114.58 116.56 1nxt h GLU 36 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nxt h GLU 36 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1nxt h GLU 36 CO 0.00 0.62 0.13 0.00 -1.00 0.00 0.00 179.01 178.76 1nxt h ALA 37 N 1.53 0.28 -0.53 3.43 0.00 -1.14 0.08 119.26 122.92 1nxt h ALA 37 Ca 0.38 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 1nxt h ALA 37 Cb 0.24 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nxt h ALA 37 CO -0.14 -0.21 0.11 -0.07 0.00 0.00 0.00 179.25 178.94 1nxt h LEU 38 N 0.27 0.76 -0.18 0.00 3.38 -1.09 0.40 115.31 118.86 1nxt h LEU 38 Ca 0.08 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.77 1nxt h LEU 38 Cb 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1nxt h LEU 38 CO -0.02 0.76 -0.43 -0.33 0.09 0.00 0.00 178.44 178.51 1nxt h GLU 39 N 0.78 0.60 -0.24 1.13 5.08 -1.04 -2.33 114.58 118.58 1nxt h GLU 39 Ca 0.17 -0.41 -0.05 0.00 -1.00 0.00 0.00 59.36 58.07 1nxt h GLU 39 Cb 0.31 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1nxt h GLU 39 CO 0.00 1.03 -0.05 1.96 -1.00 0.00 0.00 179.01 180.96 1nxt h GLN 40 N 0.27 0.45 -0.62 2.33 1.08 -0.89 -1.68 115.11 116.04 1nxt h GLN 40 Ca -0.00 -0.17 0.12 0.00 -1.45 0.00 0.00 58.65 57.15 1nxt h GLN 40 Cb 1.04 -0.03 -0.12 0.00 -0.05 0.00 0.00 27.48 28.33 1nxt h GLN 40 CO 0.09 0.67 -0.23 0.35 -0.95 0.00 0.00 178.83 178.76 1nxt h PHE 41 N 0.19 -0.58 -0.14 2.96 3.57 -0.89 0.29 116.94 122.34 1nxt h PHE 41 Ca 0.06 0.06 -0.18 0.00 3.53 0.00 0.00 57.97 61.45 1nxt h PHE 41 Cb 0.50 0.35 0.01 0.00 2.79 0.00 0.00 35.95 39.60 1nxt h PHE 41 CO 0.05 -0.33 -0.60 0.93 -2.23 0.00 0.00 178.31 176.13 1nxt h GLU 42 N -0.07 0.66 0.04 1.11 5.08 -1.24 -1.66 114.58 118.51 1nxt h GLU 42 Ca 0.28 -0.52 -0.25 0.00 -1.00 0.00 0.00 59.36 57.87 1nxt h GLU 42 Cb 0.51 0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.87 1nxt h GLU 42 CO -0.68 1.14 -1.05 0.00 -1.00 0.00 0.00 179.01 177.43 1nxt h ALA 43 N 0.53 0.26 0.00 3.43 0.00 -1.11 -3.37 119.26 119.00 1nxt h ALA 43 Ca -0.03 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1nxt h ALA 43 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1nxt h ALA 43 CO 0.13 0.83 -1.73 0.39 0.00 0.00 0.00 179.25 178.87 1nxt n GLU 44 N -3.71 0.58 -3.88 0.00 -0.58 0.10 -5.03 120.64 108.12 1nxt n GLU 44 Ca -0.08 -0.15 -0.36 0.00 -0.42 0.00 0.00 57.16 56.16 1nxt n GLU 44 Cb 0.90 -1.48 0.02 0.00 -0.57 0.00 0.00 31.44 30.30 1nxt n GLU 44 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1nxt n GLN 45 N -2.06 -0.84 -1.41 3.49 6.02 -0.62 -4.90 117.38 117.05 1nxt n GLN 45 Ca -0.02 0.41 -0.34 0.00 -0.01 0.00 0.00 57.00 57.04 1nxt n GLN 45 Cb 0.49 -2.82 0.09 0.00 1.02 0.00 0.00 30.24 29.02 1nxt n GLN 45 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1nxt s PRO 46 N -6.24 2.15 0.35 -1.09 0.04 -1.26 -4.93 135.00 124.02 1nxt s PRO 46 Ca 0.32 1.65 0.19 0.00 0.04 0.00 0.00 61.00 63.20 1nxt s PRO 46 Cb -0.16 -1.85 0.45 0.00 0.04 0.00 0.00 34.50 32.98 1nxt s PRO 46 CO 0.92 -1.81 1.62 -0.44 0.04 0.00 0.00 177.00 177.34 1nxt h ASP 47 N -0.43 0.00 -5.01 6.66 5.19 -1.42 -3.47 116.42 117.94 1nxt h ASP 47 Ca -0.47 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 55.85 1nxt h ASP 47 Cb 1.28 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.61 1nxt h ASP 47 CO 0.50 0.37 -0.09 -0.51 -3.12 0.00 0.00 179.24 176.38 1nxt s ILE 48 N -3.30 0.04 -0.09 0.35 2.07 -1.15 -4.12 121.20 115.01 1nxt s ILE 48 Ca 0.02 -0.35 0.02 0.00 -1.41 0.00 0.00 60.65 58.94 1nxt s ILE 48 Cb 0.09 -0.84 0.01 0.00 0.13 0.00 0.00 42.46 41.85 1nxt s ILE 48 CO 0.70 -0.19 -0.14 -0.63 -1.91 0.00 0.00 174.94 172.77 1nxt s ILE 49 N -1.77 1.34 -0.30 2.00 1.01 -0.68 -1.93 121.20 120.88 1nxt s ILE 49 Ca -0.10 -0.57 -0.11 0.00 0.00 0.00 0.00 60.65 59.87 1nxt s ILE 49 Cb -0.02 -1.23 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1nxt s ILE 49 CO 0.03 0.41 0.20 -0.63 0.00 0.00 0.00 174.94 174.94 1nxt s ILE 50 N 0.84 5.23 0.00 2.92 1.01 -0.68 -0.47 121.20 130.05 1nxt s ILE 50 Ca -0.10 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1nxt s ILE 50 Cb -0.15 -3.56 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1nxt s ILE 50 CO 0.01 0.17 0.00 -0.11 0.00 0.00 0.00 174.94 175.01 1nxt n LEU 51 N 5.07 0.00 0.00 2.97 7.94 -0.24 -0.88 117.00 131.86 1nxt n LEU 51 Ca -0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.76 1nxt n LEU 51 Cb 0.51 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.46 1nxt n LEU 51 CO 0.34 0.00 -0.47 -0.11 -1.11 0.00 0.00 177.39 176.04 1nxt n LEU 53 N 0.00 0.00 -4.20 -1.96 7.94 -1.12 -2.20 117.00 115.46 1nxt n LEU 53 Ca 0.00 0.00 -0.35 0.00 -1.11 0.00 0.00 56.01 54.55 1nxt n LEU 53 Cb 0.00 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 43.82 1nxt n LEU 53 CO 0.00 0.00 -0.34 -0.04 -1.11 0.00 0.00 177.39 175.90 1nxt s MET 54 N -1.92 2.55 0.01 1.96 1.00 -1.26 -1.04 119.30 120.59 1nxt s MET 54 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 55.69 54.51 1nxt s MET 54 Cb 0.00 -3.21 -0.01 0.00 0.00 0.00 0.00 34.83 31.61 1nxt s MET 54 CO 0.00 -0.59 -0.05 -0.51 0.00 0.00 0.00 175.02 173.87 1nxt s LEU 55 N 1.30 2.07 0.00 -0.03 1.43 -1.26 -4.65 118.68 117.53 1nxt s LEU 55 Ca -0.04 -0.19 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 1nxt s LEU 55 Cb -0.19 -0.20 0.00 0.00 0.03 0.00 0.00 46.19 45.83 1nxt s LEU 55 CO -0.01 -0.01 0.00 -2.65 0.23 0.00 0.00 176.35 173.91 1nxt n PRO 56 N 2.60 0.00 -4.44 1.29 -0.02 -1.26 -4.79 135.00 128.38 1nxt n PRO 56 Ca -0.15 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.07 1nxt n PRO 56 Cb 0.58 -1.04 -0.10 0.00 -0.02 0.00 0.00 33.50 32.92 1nxt n PRO 56 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 1nxt s ASP 59 N 0.61 3.98 0.33 2.55 1.47 -1.26 -4.93 116.67 119.42 1nxt s ASP 59 Ca 0.00 -1.13 0.12 0.00 1.18 0.00 0.00 52.55 52.72 1nxt s ASP 59 Cb 0.00 -0.44 0.95 0.00 -0.34 0.00 0.00 42.92 43.09 1nxt s ASP 59 CO 0.00 -0.27 1.72 1.23 0.68 0.00 0.00 175.17 178.53 1nxt h GLY 60 N 1.87 1.86 0.88 2.12 0.00 -1.41 -0.50 103.07 107.89 1nxt h GLY 60 Ca -0.43 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 46.61 1nxt h GLY 60 CO 0.70 -0.27 0.05 1.41 0.00 0.00 0.00 176.54 178.42 1nxt h LEU 61 N 0.52 0.15 -0.64 3.11 3.38 -1.98 -1.82 115.31 118.02 1nxt h LEU 61 Ca 0.66 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.51 1nxt h LEU 61 Cb 1.35 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 42.01 1nxt h LEU 61 CO -0.48 0.26 0.38 -0.08 0.09 0.00 0.00 178.44 178.61 1nxt h GLU 62 N 0.03 0.72 -0.48 1.13 4.57 -1.83 -1.38 114.58 117.34 1nxt h GLU 62 Ca 0.04 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1nxt h GLU 62 Cb 0.15 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1nxt h GLU 62 CO -0.00 0.48 0.30 0.28 -1.18 0.00 0.00 179.01 178.89 1nxt h VAL 63 N 0.74 1.14 -0.32 0.32 2.07 -0.90 -1.97 116.25 117.33 1nxt h VAL 63 Ca 0.27 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 67.39 1nxt h VAL 63 Cb 0.07 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1nxt h VAL 63 CO -0.12 0.14 -0.24 0.00 0.02 0.00 0.00 177.57 177.36 1nxt h ALA 64 N 1.15 0.46 -0.54 1.67 0.00 -1.19 -1.29 119.26 119.52 1nxt h ALA 64 Ca 0.17 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 54.81 1nxt h ALA 64 Cb -0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.55 1nxt h ALA 64 CO -0.03 0.44 -0.09 -0.22 0.00 0.00 0.00 179.25 179.34 1nxt h LYS 65 N 0.49 0.03 0.00 0.00 3.64 -1.15 -1.96 116.57 117.61 1nxt h LYS 65 Ca 0.06 -0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.21 1nxt h LYS 65 Cb 0.80 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1nxt h LYS 65 CO 0.06 0.02 -0.96 1.79 -2.27 0.00 0.00 179.45 178.10 1nxt h THR 66 N 0.03 1.39 -0.42 1.00 1.35 -1.08 -2.93 112.91 112.25 1nxt h THR 66 Ca 0.26 -2.43 0.09 0.00 -0.55 0.00 0.00 66.41 63.78 1nxt h THR 66 Cb 0.41 2.42 -0.08 0.00 -1.73 0.00 0.00 68.15 69.16 1nxt h THR 66 CO -0.53 0.73 -0.11 0.40 -0.25 0.00 0.00 175.52 175.76 1nxt h ILE 67 N 0.25 0.57 0.00 6.82 2.04 -1.14 -2.29 117.51 123.76 1nxt h ILE 67 Ca -0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 1nxt h ILE 67 Cb 1.60 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1nxt h ILE 67 CO 0.17 0.00 -0.01 0.03 0.00 0.00 0.00 178.15 178.34 1nxt h ARG 68 N -0.00 0.00 -0.89 2.37 2.47 -1.18 -1.38 114.38 115.76 1nxt h ARG 68 Ca 0.20 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 59.08 1nxt h ARG 68 Cb 0.31 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.56 1nxt h ARG 68 CO -0.44 0.01 0.58 0.87 0.56 0.00 0.00 179.97 181.55 1nxt h LYS 69 N 0.00 0.62 0.00 0.04 1.57 -1.24 -3.33 116.57 114.22 1nxt h LYS 69 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1nxt h LYS 69 Cb 0.13 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nxt h LYS 69 CO 0.00 0.41 -0.64 0.25 -0.57 0.00 0.00 179.45 178.90 1nxt n THR 70 N -4.56 0.00 -3.89 -0.16 -2.24 -0.62 -5.09 114.28 97.72 1nxt n THR 70 Ca 0.18 -0.20 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 1nxt n THR 70 Cb 0.52 0.69 -0.12 0.00 -2.10 0.00 0.00 70.33 69.31 1nxt n THR 70 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nxt s SER 71 N -1.68 0.03 -0.14 3.42 0.15 -0.62 -5.02 113.70 109.83 1nxt s SER 71 Ca -0.00 -0.09 0.14 0.00 0.70 0.00 0.00 55.95 56.70 1nxt s SER 71 Cb 0.00 0.11 0.64 0.00 -1.71 0.00 0.00 66.02 65.07 1nxt s SER 71 CO 0.03 -0.13 1.51 -1.54 1.20 0.00 0.00 173.24 174.31 1nxt n SER 72 N 2.50 4.47 -4.66 5.45 3.41 -1.26 -4.18 113.62 119.35 1nxt n SER 72 Ca -0.16 -2.56 -0.47 0.00 -0.26 0.00 0.00 58.87 55.42 1nxt n SER 72 Cb 0.58 -0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 63.90 1nxt n SER 72 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1nxt n VAL 73 N 0.73 0.03 -1.71 -3.33 3.14 -1.26 -4.85 118.33 111.08 1nxt n VAL 73 Ca 0.22 -0.01 -0.43 0.00 -2.96 0.00 0.00 64.34 61.16 1nxt n VAL 73 Cb 0.89 -1.50 -0.03 0.00 -1.06 0.00 0.00 33.84 32.15 1nxt n VAL 73 CO 0.00 0.00 0.00 -0.81 -6.46 0.00 0.00 176.83 169.56 1nxt n PRO 74 N 3.50 2.44 -4.74 1.45 -0.04 -1.26 -4.90 135.00 131.45 1nxt n PRO 74 Ca 0.17 0.87 -0.32 0.00 -0.04 0.00 0.00 63.50 64.18 1nxt n PRO 74 Cb 0.28 -2.63 -0.17 0.00 -0.04 0.00 0.00 33.50 30.95 1nxt n PRO 74 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1nxt s ILE 75 N 0.31 2.04 -0.32 0.52 1.01 -1.26 -1.68 121.20 121.82 1nxt s ILE 75 Ca 0.69 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 1nxt s ILE 75 Cb -0.57 -1.79 0.04 0.00 0.01 0.00 0.00 42.46 40.15 1nxt s ILE 75 CO 0.44 0.55 0.06 -0.22 0.00 0.00 0.00 174.94 175.77 1nxt s LEU 76 N 0.75 4.12 0.14 2.97 0.20 0.38 -0.93 118.68 126.31 1nxt s LEU 76 Ca -0.09 -1.17 -0.30 0.00 0.69 0.00 0.00 54.13 53.26 1nxt s LEU 76 Cb -0.16 -1.80 -0.06 0.00 -0.43 0.00 0.00 46.19 43.73 1nxt s LEU 76 CO -0.00 -0.29 0.96 -0.32 -0.29 0.00 0.00 176.35 176.41 1nxt s MET 77 N 1.35 4.72 -0.09 1.98 -2.45 0.61 -1.08 119.30 124.35 1nxt s MET 77 Ca -0.03 1.47 0.03 0.00 -1.25 0.00 0.00 55.69 55.91 1nxt s MET 77 Cb -0.19 -3.36 0.01 0.00 1.25 0.00 0.00 34.83 32.54 1nxt s MET 77 CO 0.01 0.26 -0.18 -0.51 1.05 0.00 0.00 175.02 175.66 1nxt s LEU 78 N -0.22 1.85 -0.17 4.11 1.43 -0.94 -0.06 118.68 124.69 1nxt s LEU 78 Ca 0.46 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.85 1nxt s LEU 78 Cb -0.24 -1.12 0.09 0.00 0.03 0.00 0.00 46.19 44.95 1nxt s LEU 78 CO 0.30 0.09 0.81 -0.55 0.23 0.00 0.00 176.35 177.23 1nxt s SER 79 N 0.57 -0.60 0.49 2.29 0.15 -0.69 -2.80 113.70 113.12 1nxt s SER 79 Ca -0.15 0.88 0.14 0.00 0.70 0.00 0.00 55.95 57.52 1nxt s SER 79 Cb -0.17 0.80 1.17 0.00 -1.71 0.00 0.00 66.02 66.12 1nxt s SER 79 CO 0.05 -0.39 2.12 0.00 1.20 0.00 0.00 173.24 176.23 1nxt h ALA 80 N 3.65 1.94 -2.39 5.45 0.00 -1.88 0.16 119.26 126.19 1nxt h ALA 80 Ca -0.26 -0.01 -0.54 0.00 0.00 0.00 0.00 54.91 54.10 1nxt h ALA 80 Cb 1.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nxt h ALA 80 CO 0.24 0.05 0.83 0.15 0.00 0.00 0.00 179.25 180.52 1nxt s LYS 81 N -5.17 4.28 -0.07 0.00 1.02 -1.26 -4.71 119.74 113.83 1nxt s LYS 81 Ca -0.06 1.98 0.11 0.00 0.02 0.00 0.00 55.97 58.02 1nxt s LYS 81 Cb 0.17 -3.55 0.18 0.00 -0.52 0.00 0.00 37.83 34.11 1nxt s LYS 81 CO 0.69 -0.57 1.09 -0.40 -0.92 0.00 0.00 175.35 175.24 1nxt n ASP 82 N 5.28 1.22 -4.92 2.83 5.75 -1.26 -4.83 116.55 120.62 1nxt n ASP 82 Ca 0.13 -2.60 -0.26 0.00 -0.01 0.00 0.00 54.79 52.05 1nxt n ASP 82 Cb 0.43 -0.33 0.02 0.00 -1.03 0.00 0.00 41.12 40.22 1nxt n ASP 82 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1nxt s SER 83 N -2.03 5.73 0.20 -1.12 1.04 -1.26 -4.95 113.70 111.31 1nxt s SER 83 Ca 0.18 0.64 -0.11 0.00 0.48 0.00 0.00 55.95 57.15 1nxt s SER 83 Cb 0.17 -1.73 0.22 0.00 0.10 0.00 0.00 66.02 64.78 1nxt s SER 83 CO 0.00 -0.92 1.77 -0.08 0.98 0.00 0.00 173.24 174.99 1nxt h GLU 84 N 0.00 0.48 -0.78 4.02 4.81 -1.99 -1.55 114.58 119.57 1nxt h GLU 84 Ca -0.46 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.73 1nxt h GLU 84 Cb 1.25 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.48 1nxt h GLU 84 CO 0.60 0.31 0.44 0.35 -0.73 0.00 0.00 179.01 179.98 1nxt h PHE 85 N 0.49 1.05 -0.25 0.92 3.57 -1.99 -0.33 116.94 120.41 1nxt h PHE 85 Ca 0.28 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1nxt h PHE 85 Cb 0.26 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1nxt h PHE 85 CO -0.13 0.72 -0.03 -0.44 -2.23 0.00 0.00 178.31 176.20 1nxt h ASP 86 N 1.09 0.46 -0.24 0.41 5.19 -1.68 -2.02 116.42 119.63 1nxt h ASP 86 Ca 0.28 -0.34 -0.06 0.00 -0.62 0.00 0.00 57.03 56.29 1nxt h ASP 86 Cb 0.01 -0.13 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1nxt h ASP 86 CO -0.05 0.70 -0.08 0.11 -3.12 0.00 0.00 179.24 176.80 1nxt h LYS 87 N 0.22 0.48 -0.39 3.56 1.57 -1.24 -0.86 116.57 119.92 1nxt h LYS 87 Ca 0.07 -0.19 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 1nxt h LYS 87 Cb 0.48 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1nxt h LYS 87 CO 0.02 0.72 0.00 0.28 -0.57 0.00 0.00 179.45 179.90 1nxt h VAL 88 N 0.21 1.26 -0.06 0.50 2.07 -1.09 -0.70 116.25 118.44 1nxt h VAL 88 Ca 0.06 -1.00 -0.17 0.00 0.82 0.00 0.00 66.70 66.41 1nxt h VAL 88 Cb 0.56 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1nxt h VAL 88 CO 0.03 0.34 -0.70 -0.29 0.02 0.00 0.00 177.57 176.96 1nxt h ILE 89 N 0.51 1.40 -0.32 4.57 2.10 -1.29 -0.38 117.51 124.10 1nxt h ILE 89 Ca 0.11 -2.16 0.04 0.00 1.08 0.00 0.00 64.86 63.93 1nxt h ILE 89 Cb 0.47 2.13 -0.04 0.00 -1.09 0.00 0.00 36.82 38.29 1nxt h ILE 89 CO 0.02 0.64 0.11 1.23 -1.08 0.00 0.00 178.15 179.07 1nxt h GLY 90 N 1.46 0.40 1.12 8.18 0.00 -1.05 -0.41 103.07 112.78 1nxt h GLY 90 Ca -0.02 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 1nxt h GLY 90 CO 0.11 0.03 0.11 1.41 0.00 0.00 0.00 176.54 178.20 1nxt h LEU 91 N 0.25 1.03 -0.71 3.11 3.38 -0.91 -1.86 115.31 119.60 1nxt h LEU 91 Ca 0.15 -0.24 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 1nxt h LEU 91 Cb 0.12 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1nxt h LEU 91 CO -0.15 1.02 -0.61 -0.33 0.09 0.00 0.00 178.44 178.45 1nxt h GLU 92 N 1.01 0.00 -0.03 1.13 4.39 -1.00 -2.49 114.58 117.59 1nxt h GLU 92 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1nxt h GLU 92 Cb 0.43 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1nxt h GLU 92 CO 0.01 0.61 0.00 1.28 -1.16 0.00 0.00 179.01 179.75 1nxt n LEU 93 N -3.71 0.38 0.00 1.33 7.99 -0.17 -4.90 117.00 117.91 1nxt n LEU 93 Ca -0.01 -0.15 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 1nxt n LEU 93 Cb 0.63 -0.02 0.00 0.00 -0.11 0.00 0.00 43.42 43.92 1nxt n LEU 93 CO 0.42 0.07 0.00 0.61 -1.51 0.00 0.00 177.39 176.98 1nxt n GLY 94 N 0.92 1.71 3.60 -0.72 0.00 -0.94 -3.88 105.19 105.88 1nxt n GLY 94 Ca 0.17 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 1nxt n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nxt n ALA 95 N 0.00 -0.24 0.19 4.61 0.00 -0.72 -4.77 120.51 119.58 1nxt n ALA 95 Ca 0.00 0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.98 1nxt n ALA 95 Cb 0.00 -2.06 0.11 0.00 0.00 0.00 0.00 19.45 17.50 1nxt n ALA 95 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nxt h ASP 96 N 2.78 0.00 -4.69 0.00 5.19 -1.35 -3.41 116.42 114.94 1nxt h ASP 96 Ca -0.42 -0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.07 1nxt h ASP 96 Cb 1.33 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.69 1nxt h ASP 96 CO 0.66 0.00 0.43 -0.62 -3.12 0.00 0.00 179.24 176.59 1nxt s ASP 97 N -5.82 -0.41 -0.20 6.45 -1.08 -1.18 -5.02 116.67 109.40 1nxt s ASP 97 Ca 0.04 0.04 -0.04 0.00 -0.52 0.00 0.00 52.55 52.07 1nxt s ASP 97 Cb 0.07 0.43 0.10 0.00 -1.46 0.00 0.00 42.92 42.05 1nxt s ASP 97 CO 0.72 -0.67 0.26 -0.47 0.52 0.00 0.00 175.17 175.52 1nxt s TYR 98 N -3.09 -0.41 -0.00 -5.34 6.14 -1.25 -0.28 117.35 113.11 1nxt s TYR 98 Ca 0.03 0.47 0.06 0.00 0.64 0.00 0.00 57.07 58.27 1nxt s TYR 98 Cb -0.01 -0.23 -0.03 0.00 0.42 0.00 0.00 41.96 42.11 1nxt s TYR 98 CO -0.09 -0.58 -0.19 0.08 0.64 0.00 0.00 175.55 175.41 1nxt s VAL 99 N 2.38 2.68 0.14 3.14 1.01 0.91 -4.97 120.40 125.71 1nxt s VAL 99 Ca 0.07 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.06 1nxt s VAL 99 Cb -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1nxt s VAL 99 CO -0.12 0.48 0.27 0.42 0.00 0.00 0.00 175.10 176.16 1nxt s THR 100 N -0.78 5.31 -0.12 3.92 -4.23 -1.26 -1.70 115.64 116.78 1nxt s THR 100 Ca 0.12 -0.67 -0.06 0.00 -1.18 0.00 0.00 61.69 59.90 1nxt s THR 100 Cb -0.10 -3.72 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1nxt s THR 100 CO 0.02 -0.07 0.09 -0.54 -0.54 0.00 0.00 174.62 173.58 1nxt s LYS 101 N -3.17 3.40 0.43 3.99 1.02 0.56 -3.20 119.74 122.77 1nxt s LYS 101 Ca 0.34 -0.24 -0.20 0.00 0.02 0.00 0.00 55.97 55.90 1nxt s LYS 101 Cb -0.11 -3.09 -0.10 0.00 -0.52 0.00 0.00 37.83 34.01 1nxt s LYS 101 CO 0.28 0.68 0.93 -1.25 -0.92 0.00 0.00 175.35 175.07 1nxt s PRO 102 N -0.76 4.17 0.40 -1.68 0.04 -1.26 -4.39 135.00 131.52 1nxt s PRO 102 Ca 0.13 1.04 0.08 0.00 0.04 0.00 0.00 61.00 62.28 1nxt s PRO 102 Cb -0.12 -2.21 -0.04 0.00 0.04 0.00 0.00 34.50 32.17 1nxt s PRO 102 CO 0.03 -0.03 0.21 -0.59 0.04 0.00 0.00 177.00 176.66 1nxt s PHE 103 N -2.21 2.64 -0.18 0.56 -0.12 -1.19 -5.10 117.98 112.38 1nxt s PHE 103 Ca 0.61 -0.54 -0.17 0.00 -0.05 0.00 0.00 56.93 56.77 1nxt s PHE 103 Cb -0.09 -1.96 -0.04 0.00 -0.63 0.00 0.00 43.02 40.30 1nxt s PHE 103 CO 0.16 0.15 0.46 0.45 -0.05 0.00 0.00 175.22 176.39 1nxt s SER 104 N -3.94 6.55 0.19 1.98 0.15 -1.26 -4.98 113.70 112.39 1nxt s SER 104 Ca 0.42 0.66 -0.16 0.00 0.70 0.00 0.00 55.95 57.57 1nxt s SER 104 Cb 0.02 -2.27 0.15 0.00 -1.71 0.00 0.00 66.02 62.21 1nxt s SER 104 CO 0.24 -0.09 1.65 0.78 1.20 0.00 0.00 173.24 177.01 1nxt h ASN 105 N 7.22 -0.51 -0.73 5.45 -0.26 -1.99 -1.34 115.58 123.42 1nxt h ASN 105 Ca -0.36 0.15 -0.04 0.00 -0.56 0.00 0.00 56.30 55.49 1nxt h ASN 105 Cb 1.16 0.33 -0.03 0.00 -1.06 0.00 0.00 38.32 38.71 1nxt h ASN 105 CO 0.74 -0.18 0.33 0.03 -1.06 0.00 0.00 177.43 177.29 1nxt h ARG 106 N -0.02 1.08 -0.35 0.81 3.08 -1.99 -1.78 114.38 115.22 1nxt h ARG 106 Ca 0.24 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1nxt h ARG 106 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1nxt h ARG 106 CO -0.52 0.86 0.10 1.49 -1.07 0.00 0.00 179.97 180.83 1nxt h GLU 107 N 1.07 0.55 -0.30 0.04 4.81 -1.91 -0.77 114.58 118.07 1nxt h GLU 107 Ca 0.25 -0.13 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1nxt h GLU 107 Cb 0.16 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 1nxt h GLU 107 CO -0.03 0.59 -0.10 1.25 -0.73 0.00 0.00 179.01 179.99 1nxt h LEU 108 N 0.42 -0.35 -0.74 1.64 6.46 -1.01 -0.32 115.31 121.41 1nxt h LEU 108 Ca 0.11 0.10 -0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1nxt h LEU 108 Cb 0.27 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.38 1nxt h LEU 108 CO -0.00 -0.13 0.44 1.56 -0.62 0.00 0.00 178.44 179.69 1nxt h GLN 109 N -0.04 1.01 -0.49 1.25 4.20 -1.20 -0.11 115.11 119.73 1nxt h GLN 109 Ca 0.15 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 1nxt h GLN 109 Cb 0.26 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 1nxt h GLN 109 CO -0.33 0.72 0.08 0.00 -0.67 0.00 0.00 178.83 178.63 1nxt h ALA 110 N 1.23 1.22 -0.01 3.87 0.00 -0.50 -2.14 119.26 122.93 1nxt h ALA 110 Ca 0.26 -0.21 -0.26 0.00 0.00 0.00 0.00 54.91 54.70 1nxt h ALA 110 Cb -0.02 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.59 1nxt h ALA 110 CO -0.05 0.53 -1.00 0.00 0.00 0.00 0.00 179.25 178.73 1nxt h ARG 111 N 0.74 0.70 -0.19 0.00 3.08 -0.44 -1.21 114.38 117.05 1nxt h ARG 111 Ca 0.16 -0.73 0.05 0.00 0.07 0.00 0.00 59.98 59.52 1nxt h ARG 111 Cb 0.33 0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.54 1nxt h ARG 111 CO 0.00 1.31 -0.10 0.28 -1.07 0.00 0.00 179.97 180.40 1nxt h VAL 112 N 0.38 0.69 -0.65 2.04 2.07 -0.94 -0.35 116.25 119.48 1nxt h VAL 112 Ca -0.12 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1nxt h VAL 112 Cb 1.65 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1nxt h VAL 112 CO 0.20 0.00 0.43 0.50 0.02 0.00 0.00 177.57 178.72 1nxt h LYS 113 N -0.08 0.84 -0.28 1.57 3.64 -1.30 -1.55 116.57 119.41 1nxt h LYS 113 Ca 0.11 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 59.28 1nxt h LYS 113 Cb 0.24 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 1nxt h LYS 113 CO -0.24 0.56 -0.47 0.00 -2.27 0.00 0.00 179.45 177.03 1nxt h ALA 114 N 1.60 0.65 -0.70 5.00 0.00 -0.82 -0.01 119.26 124.98 1nxt h ALA 114 Ca 0.24 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1nxt h ALA 114 Cb -0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1nxt h ALA 114 CO -0.06 0.67 0.45 -0.07 0.00 0.00 0.00 179.25 180.25 1nxt h LEU 115 N 0.59 0.82 -0.32 0.00 3.38 -0.56 -2.71 115.31 116.51 1nxt h LEU 115 Ca 0.03 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.77 1nxt h LEU 115 Cb 1.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1nxt h LEU 115 CO 0.10 0.61 -0.69 -0.07 0.09 0.00 0.00 178.44 178.47 1nxt h LEU 116 N 0.95 0.75 -0.74 1.67 3.38 -0.92 -2.77 115.31 117.63 1nxt h LEU 116 Ca 0.26 -0.46 0.12 0.00 0.09 0.00 0.00 57.88 57.88 1nxt h LEU 116 Cb -0.08 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 40.37 1nxt h LEU 116 CO -0.05 1.23 0.35 -0.09 0.09 0.00 0.00 178.44 179.97 1nxt h ARG 117 N 0.46 0.54 -3.49 1.13 2.43 -0.98 -3.21 114.38 111.26 1nxt h ARG 117 Ca -0.03 -0.03 -0.77 0.00 -0.81 0.00 0.00 59.98 58.34 1nxt h ARG 117 Cb 1.29 -0.12 -0.30 0.00 -0.42 0.00 0.00 29.97 30.42 1nxt h ARG 117 CO 0.13 0.36 0.30 0.50 -1.51 0.00 0.00 179.97 179.75 1nxt s ARG 118 N -6.03 3.95 0.00 0.20 3.52 -1.03 -5.10 118.95 114.46 1nxt s ARG 118 Ca -0.12 -3.24 0.00 0.00 -0.13 0.00 0.00 55.73 52.23 1nxt s ARG 118 Cb 0.19 -4.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.19 1nxt s ARG 118 CO 0.77 -1.25 0.00 0.45 -0.81 0.00 0.00 175.30 174.46