#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s5z n ASN 7 N 0.00 3.03 -0.96 6.55 3.02 -1.26 -3.51 115.26 122.13 1s5z n ASN 7 Ca 0.00 -2.33 0.10 0.00 -0.03 0.00 0.00 54.58 52.32 1s5z n ASN 7 Cb 0.00 -0.49 0.17 0.00 -0.61 0.00 0.00 39.78 38.85 1s5z n ASN 7 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 1s5z n LYS 8 N 0.43 2.21 -1.75 3.52 0.00 -1.26 -3.57 118.16 117.74 1s5z n LYS 8 Ca 0.14 -2.04 -0.39 0.00 0.00 0.00 0.00 58.31 56.02 1s5z n LYS 8 Cb 0.61 -1.43 0.04 0.00 0.00 0.00 0.00 35.03 34.25 1s5z n LYS 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1s5z n GLU 9 N 1.22 1.82 -4.13 1.64 2.13 -1.23 -4.70 120.64 117.39 1s5z n GLU 9 Ca 0.16 0.67 -0.15 0.00 0.66 0.00 0.00 57.16 58.50 1s5z n GLU 9 Cb 0.53 -2.60 -0.11 0.00 0.27 0.00 0.00 31.44 29.52 1s5z n GLU 9 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1s5z s ARG 10 N -2.82 0.72 0.04 5.31 0.52 -1.26 -0.51 118.95 120.95 1s5z s ARG 10 Ca 0.70 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.95 1s5z s ARG 10 Cb -0.42 -0.50 -0.03 0.00 0.52 0.00 0.00 34.95 34.52 1s5z s ARG 10 CO 0.51 0.09 -0.06 -0.08 0.02 0.00 0.00 175.30 175.78 1s5z s THR 11 N -1.82 0.42 -0.19 0.02 -1.32 -0.76 -4.71 115.64 107.29 1s5z s THR 11 Ca -0.02 -1.14 -0.12 0.00 -1.21 0.00 0.00 61.69 59.20 1s5z s THR 11 Cb -0.07 -0.64 -0.05 0.00 -1.51 0.00 0.00 72.50 70.23 1s5z s THR 11 CO 0.00 -0.49 0.22 0.12 -2.21 0.00 0.00 174.62 172.27 1s5z s PHE 12 N -1.71 3.42 0.03 9.09 5.36 -1.26 -2.41 117.98 130.50 1s5z s PHE 12 Ca -0.09 0.45 0.06 0.00 -0.96 0.00 0.00 56.93 56.39 1s5z s PHE 12 Cb -0.08 -2.27 -0.02 0.00 -0.34 0.00 0.00 43.02 40.31 1s5z s PHE 12 CO -0.01 0.23 -0.19 -0.51 -1.46 0.00 0.00 175.22 173.29 1s5z s LEU 13 N 0.52 2.15 -0.08 6.12 1.43 0.02 -1.81 118.68 127.02 1s5z s LEU 13 Ca 0.12 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1s5z s LEU 13 Cb -0.12 -0.88 0.04 0.00 0.03 0.00 0.00 46.19 45.27 1s5z s LEU 13 CO 0.02 0.14 0.17 0.00 0.23 0.00 0.00 176.35 176.91 1s5z s ALA 14 N -0.75 -0.29 -0.51 4.21 0.00 -0.47 -0.31 121.76 123.65 1s5z s ALA 14 Ca 0.06 0.70 -0.24 0.00 0.00 0.00 0.00 51.96 52.48 1s5z s ALA 14 Cb -0.08 -0.65 0.03 0.00 0.00 0.00 0.00 23.12 22.42 1s5z s ALA 14 CO 0.01 -0.35 0.91 0.08 0.00 0.00 0.00 175.76 176.41 1s5z s VAL 15 N 1.68 4.46 1.06 0.00 1.01 -0.03 -0.57 120.40 128.02 1s5z s VAL 15 Ca -0.04 0.44 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 1s5z s VAL 15 Cb -0.12 -4.47 0.23 0.00 0.00 0.00 0.00 36.38 32.02 1s5z s VAL 15 CO -0.06 -0.96 1.06 -0.54 0.00 0.00 0.00 175.10 174.60 1s5z s LYS 16 N 3.76 -0.10 0.41 2.72 1.02 -0.47 -2.14 119.74 124.94 1s5z s LYS 16 Ca 0.32 0.85 0.21 0.00 0.02 0.00 0.00 55.97 57.37 1s5z s LYS 16 Cb -0.12 -1.65 1.17 0.00 -0.52 0.00 0.00 37.83 36.71 1s5z s LYS 16 CO 0.22 -3.18 1.74 -1.35 -0.92 0.00 0.00 175.35 171.86 1s5z h PRO 17 N -2.23 0.32 -0.32 -1.68 0.11 -1.85 0.11 132.00 126.46 1s5z h PRO 17 Ca -0.56 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.38 1s5z h PRO 17 Cb 1.32 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1s5z h PRO 17 CO 0.51 0.21 -0.41 0.38 -0.21 0.00 0.00 178.00 178.48 1s5z h ASP 18 N 0.33 0.85 -0.31 -2.05 2.03 -1.88 0.38 116.42 115.77 1s5z h ASP 18 Ca 0.64 -0.39 -0.11 0.00 -0.73 0.00 0.00 57.03 56.43 1s5z h ASP 18 Cb 1.71 -0.24 -0.01 0.00 -0.83 0.00 0.00 39.33 39.96 1s5z h ASP 18 CO -0.32 1.15 -0.20 1.23 -1.03 0.00 0.00 179.24 180.06 1s5z h GLY 19 N 0.88 0.85 0.75 7.15 0.00 -1.15 -1.44 103.07 110.11 1s5z h GLY 19 Ca 0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 47.33 46.60 1s5z h GLY 19 CO 0.09 0.65 -0.15 -2.08 0.00 0.00 0.00 176.54 175.05 1s5z h VAL 20 N 0.69 1.34 -0.42 4.60 2.07 -1.22 -1.97 116.25 121.35 1s5z h VAL 20 Ca 0.10 -1.31 0.03 0.00 0.82 0.00 0.00 66.70 66.34 1s5z h VAL 20 Cb 0.71 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 1s5z h VAL 20 CO 0.05 0.39 0.28 0.00 0.02 0.00 0.00 177.57 178.31 1s5z h ALA 21 N 0.61 1.85 -0.17 1.67 0.00 -0.79 -1.18 119.26 121.24 1s5z h ALA 21 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1s5z h ALA 21 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1s5z h ALA 21 CO 0.04 0.10 0.00 0.54 0.00 0.00 0.00 179.25 179.92 1s5z n ARG 22 N -4.48 1.56 -3.30 0.00 1.74 -0.56 -4.93 116.66 106.69 1s5z n ARG 22 Ca 0.04 -0.85 -0.16 0.00 -0.77 0.00 0.00 57.85 56.11 1s5z n ARG 22 Cb 0.16 -1.31 0.08 0.00 -1.02 0.00 0.00 32.46 30.38 1s5z n ARG 22 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s5z n GLY 23 N 0.99 -0.29 0.43 -0.13 0.00 -0.45 -4.94 105.19 100.81 1s5z n GLY 23 Ca 0.13 0.05 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1s5z n GLY 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s5z n LEU 24 N -3.89 2.50 0.26 0.99 4.77 -0.75 -4.74 117.00 116.13 1s5z n LEU 24 Ca -0.21 -1.84 -0.16 0.00 -0.03 0.00 0.00 56.01 53.77 1s5z n LEU 24 Cb 0.63 -0.14 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 1s5z n LEU 24 CO 0.55 0.61 0.72 0.58 -1.33 0.00 0.00 177.39 178.52 1s5z h VAL 25 N 1.45 0.56 -0.64 4.08 2.07 -1.88 -2.10 116.25 119.79 1s5z h VAL 25 Ca 0.00 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 1s5z h VAL 25 Cb 0.61 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 1s5z h VAL 25 CO 0.00 0.00 0.39 1.23 0.02 0.00 0.00 177.57 179.21 1s5z h GLY 26 N -0.60 0.93 0.63 2.17 0.00 -1.97 -0.88 103.07 103.34 1s5z h GLY 26 Ca -0.06 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 46.94 1s5z h GLY 26 CO 0.10 0.37 0.24 -2.09 0.00 0.00 0.00 176.54 175.16 1s5z h GLU 27 N 0.87 0.45 0.07 4.80 4.57 -1.86 0.15 114.58 123.64 1s5z h GLU 27 Ca 0.23 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 1s5z h GLU 27 Cb -0.03 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1s5z h GLU 27 CO -0.04 0.30 -0.03 0.82 -1.18 0.00 0.00 179.01 178.87 1s5z h ILE 28 N 0.47 1.15 -0.52 2.32 2.04 -1.10 -2.41 117.51 119.46 1s5z h ILE 28 Ca 0.25 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.41 1s5z h ILE 28 Cb 0.20 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 1s5z h ILE 28 CO -0.20 0.19 0.18 0.40 0.00 0.00 0.00 178.15 178.72 1s5z h ILE 29 N -0.44 0.80 -0.51 -0.67 2.04 -0.92 -2.35 117.51 115.46 1s5z h ILE 29 Ca -0.01 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.80 1s5z h ILE 29 Cb 0.38 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 1s5z h ILE 29 CO 0.02 0.06 0.20 0.00 0.00 0.00 0.00 178.15 178.43 1s5z h ALA 30 N 1.36 0.63 -0.63 1.87 0.00 -0.64 -1.62 119.26 120.23 1s5z h ALA 30 Ca 0.26 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.32 1s5z h ALA 30 Cb 0.29 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1s5z h ALA 30 CO -0.27 -0.19 0.26 0.00 0.00 0.00 0.00 179.25 179.05 1s5z h ARG 31 N 0.39 0.44 -0.15 0.00 3.08 -0.90 0.14 114.38 117.38 1s5z h ARG 31 Ca 0.24 -0.03 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 1s5z h ARG 31 Cb 0.24 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1s5z h ARG 31 CO -0.23 0.29 -0.56 1.88 -1.07 0.00 0.00 179.97 180.28 1s5z h TYR 32 N 0.45 0.56 -0.22 3.04 0.05 -1.32 -1.80 116.97 117.73 1s5z h TYR 32 Ca 0.32 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.87 1s5z h TYR 32 Cb 0.38 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1s5z h TYR 32 CO -0.15 0.90 0.05 0.93 -1.05 0.00 0.00 178.16 178.84 1s5z h GLU 33 N 0.34 0.36 -0.18 4.88 5.08 -0.44 -2.41 114.58 122.21 1s5z h GLU 33 Ca 0.00 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1s5z h GLU 33 Cb 1.08 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 1s5z h GLU 33 CO 0.10 0.48 -0.08 0.87 -1.00 0.00 0.00 179.01 179.38 1s5z h LYS 34 N 0.18 0.27 0.00 2.33 1.57 -0.71 -2.06 116.57 118.15 1s5z h LYS 34 Ca 0.07 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 1s5z h LYS 34 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1s5z h LYS 34 CO 0.00 0.37 -0.26 -0.22 -0.57 0.00 0.00 179.45 178.78 1s5z h LYS 35 N 0.26 0.00 0.00 3.15 1.63 -1.09 -3.47 116.57 117.05 1s5z h LYS 35 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1s5z h LYS 35 Cb 0.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.95 1s5z h LYS 35 CO 0.02 0.26 0.00 0.41 -3.45 0.00 0.00 179.45 176.68 1s5z n GLY 36 N -0.67 0.85 3.78 5.01 0.00 -0.77 -5.10 105.19 108.30 1s5z n GLY 36 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 1s5z n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s5z s PHE 37 N -2.00 3.70 -0.15 1.61 0.08 -0.93 -4.97 117.98 115.31 1s5z s PHE 37 Ca 0.00 1.74 -0.15 0.00 0.12 0.00 0.00 56.93 58.64 1s5z s PHE 37 Cb 0.00 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.52 1s5z s PHE 37 CO 0.00 0.23 0.36 0.08 -0.10 0.00 0.00 175.22 175.80 1s5z s VAL 38 N -1.59 5.26 -0.33 -0.44 1.01 -0.39 -4.39 120.40 119.53 1s5z s VAL 38 Ca 0.49 0.70 -0.29 0.00 0.00 0.00 0.00 61.98 62.88 1s5z s VAL 38 Cb -0.19 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.50 1s5z s VAL 38 CO 0.24 0.36 1.28 -0.22 0.00 0.00 0.00 175.10 176.75 1s5z s LEU 39 N 0.57 3.84 0.00 3.92 2.96 -1.26 -0.24 118.68 128.47 1s5z s LEU 39 Ca 0.20 1.10 0.13 0.00 -0.22 0.00 0.00 54.13 55.34 1s5z s LEU 39 Cb -0.14 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 1s5z s LEU 39 CO 0.06 -1.11 0.68 1.33 -1.32 0.00 0.00 176.35 176.00 1s5z n VAL 40 N 6.31 0.00 -3.65 1.68 0.24 0.41 -4.94 118.33 118.38 1s5z n VAL 40 Ca 0.14 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1s5z n VAL 40 Cb 0.47 1.10 -0.08 0.00 -1.47 0.00 0.00 33.84 33.86 1s5z n VAL 40 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1s5z s GLY 41 N -1.89 -0.48 -0.28 7.63 0.00 -1.13 -1.19 107.32 109.98 1s5z s GLY 41 Ca 0.09 1.75 -0.24 0.00 0.00 0.00 0.00 44.72 46.32 1s5z s GLY 41 CO 0.41 1.49 0.86 -2.27 0.00 0.00 0.00 173.10 173.60 1s5z s LEU 42 N 0.20 -0.63 -0.27 0.66 2.96 -1.26 -1.24 118.68 119.09 1s5z s LEU 42 Ca -0.01 1.18 -0.29 0.00 -0.22 0.00 0.00 54.13 54.79 1s5z s LEU 42 Cb -0.04 2.18 0.19 0.00 0.50 0.00 0.00 46.19 49.01 1s5z s LEU 42 CO 0.02 -0.20 1.33 -1.59 -1.32 0.00 0.00 176.35 174.58 1s5z s LYS 43 N 0.51 0.11 -0.07 1.98 -2.85 -0.70 -5.02 119.74 113.71 1s5z s LYS 43 Ca -0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 55.97 54.97 1s5z s LYS 43 Cb -0.05 0.05 -0.04 0.00 -2.06 0.00 0.00 37.83 35.74 1s5z s LYS 43 CO -0.05 -0.03 0.08 -1.14 0.10 0.00 0.00 175.35 174.30 1s5z s GLN 44 N -0.96 3.17 0.19 1.78 0.74 -1.26 -0.94 119.66 122.37 1s5z s GLN 44 Ca 0.08 -0.35 -0.23 0.00 0.05 0.00 0.00 55.36 54.92 1s5z s GLN 44 Cb -0.01 -2.95 0.05 0.00 1.10 0.00 0.00 33.01 31.21 1s5z s GLN 44 CO -0.07 0.71 0.66 -0.48 -0.55 0.00 0.00 175.29 175.55 1s5z s LEU 45 N -1.25 -0.46 -0.41 3.68 2.34 -0.14 -4.96 118.68 117.48 1s5z s LEU 45 Ca 0.18 -0.20 -0.10 0.00 0.06 0.00 0.00 54.13 54.06 1s5z s LEU 45 Cb -0.12 2.61 0.07 0.00 -0.56 0.00 0.00 46.19 48.19 1s5z s LEU 45 CO 0.07 -1.08 0.25 -0.69 -1.06 0.00 0.00 176.35 173.85 1s5z s VAL 46 N -3.77 4.35 0.52 1.48 1.01 -1.26 -0.35 120.40 122.37 1s5z s VAL 46 Ca 0.05 -1.27 -0.21 0.00 0.00 0.00 0.00 61.98 60.55 1s5z s VAL 46 Cb -0.03 -3.61 -0.08 0.00 0.00 0.00 0.00 36.38 32.66 1s5z s VAL 46 CO -0.06 -0.45 0.88 -2.65 0.00 0.00 0.00 175.10 172.82 1s5z n PRO 47 N 4.95 0.99 -3.41 2.72 -0.02 -1.26 -5.01 135.00 133.96 1s5z n PRO 47 Ca -0.11 0.37 -0.25 0.00 -2.02 0.00 0.00 63.50 61.50 1s5z n PRO 47 Cb 0.44 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1s5z n PRO 47 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1s5z s THR 48 N -1.46 5.11 0.20 3.45 -1.32 -1.26 -4.57 115.64 115.78 1s5z s THR 48 Ca 0.69 -0.41 -0.11 0.00 -1.21 0.00 0.00 61.69 60.65 1s5z s THR 48 Cb -0.48 -3.84 0.12 0.00 -1.51 0.00 0.00 72.50 66.79 1s5z s THR 48 CO 0.53 -0.51 1.77 0.50 -2.21 0.00 0.00 174.62 174.70 1s5z h LYS 49 N 0.94 0.48 -0.59 7.08 3.64 -1.95 -1.15 116.57 125.02 1s5z h LYS 49 Ca -0.49 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.79 1s5z h LYS 49 Cb 1.21 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1s5z h LYS 49 CO 0.62 0.31 0.10 -0.44 -2.27 0.00 0.00 179.45 177.78 1s5z h ASP 50 N 0.49 0.89 -0.34 4.20 5.19 -1.99 -0.61 116.42 124.25 1s5z h ASP 50 Ca 0.28 -0.19 -0.05 0.00 -0.62 0.00 0.00 57.03 56.45 1s5z h ASP 50 Cb 0.26 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 1s5z h ASP 50 CO -0.23 0.90 0.03 0.25 -3.12 0.00 0.00 179.24 177.07 1s5z h LEU 51 N 0.89 0.56 -0.61 1.55 5.85 -1.86 -2.65 115.31 119.04 1s5z h LEU 51 Ca 0.18 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 1s5z h LEU 51 Cb 0.38 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 1s5z h LEU 51 CO 0.01 0.70 0.35 0.00 -0.34 0.00 0.00 178.44 179.16 1s5z h ALA 52 N 0.88 0.77 -0.58 1.25 0.00 -0.90 0.06 119.26 120.74 1s5z h ALA 52 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1s5z h ALA 52 Cb 0.39 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1s5z h ALA 52 CO 0.01 0.27 0.07 0.93 0.00 0.00 0.00 179.25 180.53 1s5z h GLU 53 N 0.82 0.95 -0.25 0.00 5.08 -1.09 -0.52 114.58 119.58 1s5z h GLU 53 Ca 0.22 -0.24 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1s5z h GLU 53 Cb 0.00 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 1s5z h GLU 53 CO -0.04 0.89 -0.19 1.03 -1.00 0.00 0.00 179.01 179.70 1s5z h SER 54 N 0.89 0.60 -0.50 1.42 0.87 -1.24 -1.97 113.55 113.62 1s5z h SER 54 Ca 0.18 -0.45 0.08 0.00 -1.23 0.00 0.00 61.79 60.36 1s5z h SER 54 Cb 0.42 -0.17 -0.06 0.00 -0.44 0.00 0.00 62.40 62.15 1s5z h SER 54 CO 0.01 0.92 0.15 -0.74 -0.53 0.00 0.00 176.83 176.64 1s5z h HIS 55 N 0.28 0.25 -0.76 2.24 -0.00 -0.59 -1.92 115.15 114.65 1s5z h HIS 55 Ca 0.05 0.03 -0.37 0.00 -0.00 0.00 0.00 60.37 60.07 1s5z h HIS 55 Cb 0.73 -0.04 -0.22 0.00 -0.00 0.00 0.00 27.41 27.89 1s5z h HIS 55 CO 0.07 0.05 0.47 0.66 -0.00 0.00 0.00 177.93 179.19 1s5z n TYR 56 N -5.05 2.38 -0.33 5.26 4.01 -0.24 -4.67 117.16 118.52 1s5z n TYR 56 Ca 0.06 -1.48 0.16 0.00 -0.16 0.00 0.00 57.90 56.48 1s5z n TYR 56 Cb 0.23 -0.77 0.39 0.00 -0.31 0.00 0.00 39.34 38.87 1s5z n TYR 56 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s5z h ALA 57 N 1.44 1.87 0.00 -0.72 0.00 -0.54 -0.76 119.26 120.54 1s5z h ALA 57 Ca 0.46 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1s5z h ALA 57 Cb 2.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 20.16 1s5z h ALA 57 CO 0.84 -0.24 0.02 1.05 0.00 0.00 0.00 179.25 180.92 1s5z h GLU 58 N 0.63 0.00 -0.19 0.00 4.11 -1.85 -1.72 114.58 115.56 1s5z h GLU 58 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.99 1s5z h GLU 58 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1s5z h GLU 58 CO -0.33 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.47 1s5z n HIS 59 N -2.69 0.25 0.17 2.06 8.25 -0.30 -4.71 115.22 118.25 1s5z n HIS 59 Ca -0.02 -0.25 0.18 0.00 -0.26 0.00 0.00 57.72 57.36 1s5z n HIS 59 Cb 0.07 -0.01 0.69 0.00 1.12 0.00 0.00 29.99 31.86 1s5z n HIS 59 CO 0.00 0.00 0.00 1.57 0.64 0.00 0.00 176.34 178.55 1s5z h LYS 60 N 2.22 0.00 -0.02 -0.41 2.10 -1.31 0.24 116.57 119.38 1s5z h LYS 60 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1s5z h LYS 60 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 1s5z h LYS 60 CO 0.00 0.00 -0.05 -1.91 -2.00 0.00 0.00 179.45 175.49 1s5z n GLU 61 N -3.28 1.98 -3.76 0.07 4.07 -1.26 -4.95 120.64 113.50 1s5z n GLU 61 Ca 0.05 -1.50 -0.27 0.00 -0.06 0.00 0.00 57.16 55.37 1s5z n GLU 61 Cb 0.65 -1.47 -0.03 0.00 -0.06 0.00 0.00 31.44 30.53 1s5z n GLU 61 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1s5z s ARG 62 N -2.06 3.50 0.55 5.31 0.52 0.83 -5.01 118.95 122.59 1s5z s ARG 62 Ca 0.30 -0.39 0.33 0.00 -0.52 0.00 0.00 55.73 55.45 1s5z s ARG 62 Cb 0.20 -2.88 1.53 0.00 0.52 0.00 0.00 34.95 34.32 1s5z s ARG 62 CO 0.34 0.44 2.06 -1.00 0.02 0.00 0.00 175.30 177.16 1s5z h PRO 63 N 2.14 0.00 -0.25 3.54 0.13 -1.92 -2.79 132.00 132.84 1s5z h PRO 63 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1s5z h PRO 63 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1s5z h PRO 63 CO 0.69 0.07 0.00 1.97 -0.23 0.00 0.00 178.00 180.49 1s5z n PHE 64 N -3.28 0.32 0.14 1.56 1.16 -1.26 -4.27 117.46 111.84 1s5z n PHE 64 Ca -0.01 -0.16 -0.14 0.00 -1.87 0.00 0.00 57.45 55.27 1s5z n PHE 64 Cb 0.26 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.05 1s5z n PHE 64 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s5z h PHE 65 N 2.92 -0.29 -0.71 2.97 3.57 -1.70 -2.17 116.94 121.54 1s5z h PHE 65 Ca 0.00 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.61 1s5z h PHE 65 Cb 0.64 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.40 1s5z h PHE 65 CO 0.16 -0.10 0.31 0.78 -2.23 0.00 0.00 178.31 177.23 1s5z h GLY 66 N -0.43 1.05 0.96 2.40 0.00 -1.80 -1.13 103.07 104.13 1s5z h GLY 66 Ca -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 1s5z h GLY 66 CO 0.05 -0.02 0.14 -1.33 0.00 0.00 0.00 176.54 175.39 1s5z h GLY 67 N 0.50 0.77 1.01 4.60 0.00 -1.79 0.77 103.07 108.92 1s5z h GLY 67 Ca 0.37 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1s5z h GLY 67 CO -0.33 0.43 0.47 1.41 0.00 0.00 0.00 176.54 178.52 1s5z h LEU 68 N 0.61 0.88 -0.18 3.11 3.38 -0.81 0.16 115.31 122.46 1s5z h LEU 68 Ca 0.15 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1s5z h LEU 68 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1s5z h LEU 68 CO -0.00 0.66 0.03 0.58 0.09 0.00 0.00 178.44 179.79 1s5z h VAL 69 N 1.01 1.22 -0.45 1.22 2.07 -0.98 -2.28 116.25 118.07 1s5z h VAL 69 Ca 0.27 -0.73 0.03 0.00 0.82 0.00 0.00 66.70 67.09 1s5z h VAL 69 Cb -0.08 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1s5z h VAL 69 CO -0.05 0.22 0.24 0.28 0.02 0.00 0.00 177.57 178.28 1s5z h SER 70 N 0.08 0.37 -0.14 0.57 0.02 -0.50 -2.75 113.55 111.20 1s5z h SER 70 Ca 0.05 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.00 1s5z h SER 70 Cb 0.31 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1s5z h SER 70 CO 0.00 0.26 -0.00 0.15 -1.14 0.00 0.00 176.83 176.11 1s5z h PHE 71 N 0.49 0.28 0.00 3.45 3.57 -0.91 -2.24 116.94 121.58 1s5z h PHE 71 Ca 0.19 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 1s5z h PHE 71 Cb 0.07 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1s5z h PHE 71 CO -0.09 0.48 -0.01 0.97 -2.23 0.00 0.00 178.31 177.44 1s5z h ILE 72 N -0.01 0.05 -0.42 1.41 2.10 -1.38 -0.95 117.51 118.31 1s5z h ILE 72 Ca 0.04 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.74 1s5z h ILE 72 Cb 0.38 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1s5z h ILE 72 CO 0.01 0.01 0.00 0.35 -1.08 0.00 0.00 178.15 177.44 1s5z n THR 73 N -3.13 0.54 0.54 2.19 -2.24 -1.04 -4.31 114.28 106.82 1s5z n THR 73 Ca -0.01 -0.77 0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1s5z n THR 73 Cb 0.18 0.96 0.27 0.00 -2.10 0.00 0.00 70.33 69.63 1s5z n THR 73 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1s5z h SER 74 N 4.51 0.00 -1.80 3.42 4.64 -0.54 -3.45 113.55 120.32 1s5z h SER 74 Ca 0.00 -0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1s5z h SER 74 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1s5z h SER 74 CO 0.00 0.04 0.28 0.61 -0.87 0.00 0.00 176.83 176.89 1s5z n GLY 75 N 1.29 1.05 3.74 -0.77 0.00 -1.26 -5.11 105.19 104.12 1s5z n GLY 75 Ca 0.04 -1.08 -0.42 0.00 0.00 0.00 0.00 46.02 44.57 1s5z n GLY 75 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1s5z n PRO 76 N -0.38 2.38 -4.57 1.61 -0.04 -1.26 -4.52 135.00 128.22 1s5z n PRO 76 Ca -0.02 0.84 -0.21 0.00 -0.04 0.00 0.00 63.50 64.06 1s5z n PRO 76 Cb 0.33 -2.49 -0.15 0.00 -0.04 0.00 0.00 33.50 31.15 1s5z n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1s5z s VAL 77 N -1.11 1.04 -0.40 0.52 1.01 0.52 -3.71 120.40 118.28 1s5z s VAL 77 Ca 0.55 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.82 1s5z s VAL 77 Cb -0.52 -0.88 0.07 0.00 0.00 0.00 0.00 36.38 35.04 1s5z s VAL 77 CO 0.63 0.26 0.24 -0.69 0.00 0.00 0.00 175.10 175.53 1s5z s VAL 78 N -0.37 4.25 0.00 2.92 1.01 -0.91 -0.96 120.40 126.34 1s5z s VAL 78 Ca 0.05 -1.28 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 1s5z s VAL 78 Cb -0.05 -3.54 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1s5z s VAL 78 CO -0.00 -0.43 0.41 0.00 0.00 0.00 0.00 175.10 175.08 1s5z s ALA 79 N 1.45 3.70 0.11 5.51 0.00 -0.12 -0.85 121.76 131.56 1s5z s ALA 79 Ca 0.02 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 51.64 1s5z s ALA 79 Cb -0.22 -2.38 0.02 0.00 0.00 0.00 0.00 23.12 20.53 1s5z s ALA 79 CO 0.03 0.48 0.30 0.00 0.00 0.00 0.00 175.76 176.58 1s5z s MET 80 N -1.10 0.98 -0.07 0.00 0.23 0.58 -1.72 119.30 118.20 1s5z s MET 80 Ca 0.24 -0.84 0.01 0.00 -1.03 0.00 0.00 55.69 54.07 1s5z s MET 80 Cb -0.17 0.41 0.02 0.00 -1.53 0.00 0.00 34.83 33.56 1s5z s MET 80 CO 0.13 -0.35 -0.08 0.08 -2.03 0.00 0.00 175.02 172.77 1s5z s VAL 81 N -3.84 0.90 -0.05 5.16 1.01 -0.37 -0.80 120.40 122.41 1s5z s VAL 81 Ca 0.04 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1s5z s VAL 81 Cb 0.03 -0.88 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1s5z s VAL 81 CO -0.11 0.32 -0.19 -0.36 0.00 0.00 0.00 175.10 174.76 1s5z s PHE 82 N 1.13 2.57 -0.00 5.22 0.08 -1.01 -0.44 117.98 125.52 1s5z s PHE 82 Ca -0.06 -0.32 0.05 0.00 0.12 0.00 0.00 56.93 56.72 1s5z s PHE 82 Cb -0.14 -1.60 -0.03 0.00 -0.57 0.00 0.00 43.02 40.68 1s5z s PHE 82 CO -0.01 0.06 -0.16 -2.00 -0.10 0.00 0.00 175.22 173.01 1s5z s GLU 83 N -0.58 2.29 0.00 0.44 2.12 0.66 -1.82 118.70 121.81 1s5z s GLU 83 Ca 0.08 -0.84 0.00 0.00 0.36 0.00 0.00 54.97 54.58 1s5z s GLU 83 Cb -0.11 -2.29 0.00 0.00 0.26 0.00 0.00 34.13 31.99 1s5z s GLU 83 CO 0.01 0.58 0.00 0.41 -0.54 0.00 0.00 175.26 175.72 1s5z n GLY 84 N 1.89 2.44 3.69 -1.50 0.00 0.33 -1.26 105.19 110.78 1s5z n GLY 84 Ca -0.16 -1.00 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 1s5z n GLY 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1s5z n LYS 85 N -0.96 2.54 -2.92 1.61 4.81 -1.26 -2.14 118.16 119.85 1s5z n LYS 85 Ca 0.00 0.92 -0.17 0.00 -0.87 0.00 0.00 58.31 58.19 1s5z n LYS 85 Cb 0.00 -2.77 -0.00 0.00 0.02 0.00 0.00 35.03 32.28 1s5z n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s5z n GLY 86 N 4.00 -0.49 0.29 3.14 0.00 -1.26 -4.85 105.19 106.02 1s5z n GLY 86 Ca 0.18 0.05 0.03 0.00 0.00 0.00 0.00 46.02 46.28 1s5z n GLY 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s5z h VAL 87 N -0.51 1.13 0.53 1.61 3.04 -1.73 -1.65 116.25 118.68 1s5z h VAL 87 Ca -0.34 -0.39 -0.03 0.00 -1.01 0.00 0.00 66.70 64.93 1s5z h VAL 87 Cb 1.24 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.22 1s5z h VAL 87 CO 0.42 0.15 -0.26 0.58 -1.01 0.00 0.00 177.57 177.45 1s5z h VAL 88 N 0.50 0.47 -0.16 1.51 2.07 -1.86 0.20 116.25 118.98 1s5z h VAL 88 Ca 0.13 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.48 1s5z h VAL 88 Cb 0.08 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1s5z h VAL 88 CO -0.02 0.00 -0.57 0.00 0.02 0.00 0.00 177.57 177.00 1s5z h ALA 89 N -0.24 0.70 -0.49 1.67 0.00 -1.87 -2.83 119.26 116.19 1s5z h ALA 89 Ca -0.07 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.27 1s5z h ALA 89 Cb 0.56 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1s5z h ALA 89 CO 0.11 0.70 0.13 1.03 0.00 0.00 0.00 179.25 181.23 1s5z h SER 90 N 0.39 0.74 -0.84 0.00 0.87 -1.24 -1.64 113.55 111.83 1s5z h SER 90 Ca 0.00 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.35 1s5z h SER 90 Cb 1.12 -0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.84 1s5z h SER 90 CO 0.11 0.77 0.55 0.00 -0.53 0.00 0.00 176.83 177.73 1s5z h ALA 91 N 1.00 1.07 -0.41 6.23 0.00 -0.53 -0.53 119.26 126.10 1s5z h ALA 91 Ca 0.16 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 1s5z h ALA 91 Cb 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1s5z h ALA 91 CO -0.00 0.48 -0.24 0.00 0.00 0.00 0.00 179.25 179.48 1s5z h ARG 92 N 1.14 0.83 -0.56 0.00 3.08 -1.30 -1.73 114.38 115.85 1s5z h ARG 92 Ca 0.31 -0.35 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 1s5z h ARG 92 Cb -0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 1s5z h ARG 92 CO -0.07 0.99 0.23 1.25 -1.07 0.00 0.00 179.97 181.30 1s5z h LEU 93 N 0.72 0.73 -0.95 3.04 5.85 -0.74 -0.55 115.31 123.41 1s5z h LEU 93 Ca 0.09 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 1s5z h LEU 93 Cb 0.78 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1s5z h LEU 93 CO 0.06 0.65 -0.17 0.24 -0.34 0.00 0.00 178.44 178.88 1s5z h MET 94 N 0.79 0.00 0.12 1.25 2.86 -0.73 -3.15 114.93 116.08 1s5z h MET 94 Ca 0.19 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.63 1s5z h MET 94 Cb 0.15 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.83 1s5z h MET 94 CO -0.02 0.17 -0.85 0.82 1.06 0.00 0.00 176.91 178.09 1s5z h ILE 95 N 0.00 1.46 0.00 -1.22 1.08 -0.30 -1.34 117.51 117.18 1s5z h ILE 95 Ca -0.00 -2.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.02 1s5z h ILE 95 Cb 0.78 3.03 0.00 0.00 -3.07 0.00 0.00 36.82 37.56 1s5z h ILE 95 CO 0.02 0.70 0.00 0.61 -0.69 0.00 0.00 178.15 178.80 1s5z n GLY 96 N 1.52 0.21 3.64 5.37 0.00 -0.34 -1.48 105.19 114.11 1s5z n GLY 96 Ca -0.13 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 1s5z n GLY 96 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s5z s VAL 97 N 0.00 1.59 0.19 1.61 -7.23 -1.26 -4.66 120.40 110.63 1s5z s VAL 97 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 1s5z s VAL 97 Cb 0.00 -2.70 0.17 0.00 0.56 0.00 0.00 36.38 34.41 1s5z s VAL 97 CO 0.00 0.00 1.63 0.74 -0.31 0.00 0.00 175.10 177.16 1s5z h THR 98 N 1.69 0.39 -3.60 5.32 2.02 -1.98 -3.36 112.91 113.39 1s5z h THR 98 Ca -0.43 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.13 1s5z h THR 98 Cb 1.26 0.39 -0.12 0.00 -1.74 0.00 0.00 68.15 67.95 1s5z h THR 98 CO 0.76 0.00 0.39 0.21 0.37 0.00 0.00 175.52 177.26 1s5z s ASN 99 N -5.20 6.47 0.47 4.18 2.47 -1.26 -4.69 114.94 117.38 1s5z s ASN 99 Ca -0.14 0.07 0.20 0.00 0.42 0.00 0.00 52.86 53.41 1s5z s ASN 99 Cb 0.17 -2.40 1.20 0.00 -1.45 0.00 0.00 41.25 38.78 1s5z s ASN 99 CO 0.72 -0.87 1.95 -0.65 -3.72 0.00 0.00 177.10 174.53 1s5z h PRO 100 N 8.83 0.23 0.00 0.43 0.11 -1.84 -0.31 132.00 139.45 1s5z h PRO 100 Ca -0.25 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.78 1s5z h PRO 100 Cb 1.09 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1s5z h PRO 100 CO 0.95 0.15 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.49 1s5z h LEU 101 N 0.23 0.00 -1.40 2.35 3.38 -1.85 -2.04 115.31 115.99 1s5z h LEU 101 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1s5z h LEU 101 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1s5z h LEU 101 CO -0.07 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1s5z n ALA 102 N -2.46 2.52 -2.53 1.53 0.00 -0.18 -4.89 120.51 114.50 1s5z n ALA 102 Ca -0.02 -0.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.45 1s5z n ALA 102 Cb 0.38 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.78 1s5z n ALA 102 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1s5z s SER 103 N -1.97 7.28 0.54 0.00 0.01 -0.77 -4.85 113.70 113.94 1s5z s SER 103 Ca 0.34 1.54 -0.20 0.00 1.31 0.00 0.00 55.95 58.93 1s5z s SER 103 Cb 0.21 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.87 1s5z s SER 103 CO 0.32 -0.12 1.19 0.00 0.41 0.00 0.00 173.24 175.04 1s5z s ALA 104 N 0.47 2.74 0.43 1.44 0.00 -1.26 -4.31 121.76 121.27 1s5z s ALA 104 Ca 0.44 0.98 -0.26 0.00 0.00 0.00 0.00 51.96 53.12 1s5z s ALA 104 Cb -0.21 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.40 1s5z s ALA 104 CO 0.25 -0.93 1.43 -2.30 0.00 0.00 0.00 175.76 174.21 1s5z n PRO 105 N -1.13 2.33 0.00 0.00 -0.02 -1.26 -2.32 135.00 132.60 1s5z n PRO 105 Ca 0.11 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 1s5z n PRO 105 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 1s5z n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s5z n GLY 106 N 0.57 1.69 3.91 -1.23 0.00 -1.26 -4.96 105.19 103.91 1s5z n GLY 106 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1s5z n GLY 106 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s5z s SER 107 N -0.09 6.17 0.08 1.61 1.04 -0.98 -4.91 113.70 116.61 1s5z s SER 107 Ca 0.00 0.83 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 1s5z s SER 107 Cb 0.00 -2.13 -0.17 0.00 0.10 0.00 0.00 66.02 63.82 1s5z s SER 107 CO 0.00 -0.62 1.65 0.40 0.98 0.00 0.00 173.24 175.65 1s5z h ILE 108 N 0.23 0.48 -0.13 -1.02 2.04 -1.19 -0.11 117.51 117.80 1s5z h ILE 108 Ca -0.47 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.33 1s5z h ILE 108 Cb 1.21 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1s5z h ILE 108 CO 0.61 0.00 -0.21 0.03 0.00 0.00 0.00 178.15 178.59 1s5z h ARG 109 N -0.66 0.23 -0.69 2.37 3.08 -1.54 -0.90 114.38 116.27 1s5z h ARG 109 Ca -0.06 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.87 1s5z h ARG 109 Cb 0.53 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1s5z h ARG 109 CO 0.08 0.43 0.18 0.78 -1.07 0.00 0.00 179.97 180.37 1s5z h GLY 110 N 0.87 1.18 1.48 0.04 0.00 -1.63 -0.21 103.07 104.80 1s5z h GLY 110 Ca 0.04 -0.72 -0.14 0.00 0.00 0.00 0.00 47.33 46.50 1s5z h GLY 110 CO 0.03 0.68 -0.98 -0.55 0.00 0.00 0.00 176.54 175.72 1s5z h ASP 111 N 1.03 0.00 0.00 0.19 3.32 -0.72 -3.43 116.42 116.81 1s5z h ASP 111 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1s5z h ASP 111 Cb 0.35 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1s5z h ASP 111 CO -0.00 0.55 -0.00 0.49 -1.72 0.00 0.00 179.24 178.55 1s5z n PHE 112 N -3.05 0.00 -4.07 4.55 3.72 -0.37 -5.08 117.46 113.16 1s5z n PHE 112 Ca -0.04 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.10 1s5z n PHE 112 Cb 0.79 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.28 1s5z n PHE 112 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1s5z s GLY 113 N -0.67 1.72 0.00 1.37 0.00 -0.09 -5.01 107.32 104.63 1s5z s GLY 113 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1s5z s GLY 113 CO 0.00 -1.21 0.20 1.55 0.00 0.00 0.00 173.10 173.64 1s5z n VAL 114 N -0.34 0.00 -3.71 1.40 3.14 -1.26 -4.40 118.33 113.16 1s5z n VAL 114 Ca -0.08 0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.18 1s5z n VAL 114 Cb 0.55 1.53 -0.10 0.00 -1.06 0.00 0.00 33.84 34.75 1s5z n VAL 114 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1s5z s ASP 115 N 0.00 -0.49 0.42 6.55 2.15 -1.26 -4.73 116.67 119.30 1s5z s ASP 115 Ca 0.00 0.89 0.09 0.00 0.43 0.00 0.00 52.55 53.96 1s5z s ASP 115 Cb 0.00 0.83 0.91 0.00 -0.30 0.00 0.00 42.92 44.36 1s5z s ASP 115 CO 0.00 -0.17 2.03 1.62 -0.17 0.00 0.00 175.17 178.48 1s5z h VAL 116 N 5.05 1.04 0.00 1.11 3.04 -1.96 -1.44 116.25 123.10 1s5z h VAL 116 Ca -0.32 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1s5z h VAL 116 Cb 1.18 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1s5z h VAL 116 CO 0.27 0.09 0.00 0.61 -1.01 0.00 0.00 177.57 177.53 1s5z n GLY 117 N -1.49 -1.46 2.35 3.17 0.00 -1.26 -3.55 105.19 102.95 1s5z n GLY 117 Ca 0.05 0.03 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1s5z n GLY 117 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s5z n ARG 118 N -2.22 1.49 -0.82 1.61 5.12 -0.56 -4.95 116.66 116.33 1s5z n ARG 118 Ca 0.04 -3.76 -0.13 0.00 -1.93 0.00 0.00 57.85 52.07 1s5z n ARG 118 Cb 0.32 -1.72 0.15 0.00 -1.16 0.00 0.00 32.46 30.05 1s5z n ARG 118 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s5z n ASN 119 N 0.61 3.66 0.00 0.55 0.23 -1.11 -4.40 115.26 114.81 1s5z n ASN 119 Ca 0.25 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 51.26 1s5z n ASN 119 Cb 0.54 -0.72 0.00 0.00 -2.08 0.00 0.00 39.78 37.52 1s5z n ASN 119 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1s5z n ILE 120 N -0.46 0.00 -3.95 1.53 5.41 -1.26 -4.83 119.36 115.79 1s5z n ILE 120 Ca 0.38 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 64.05 1s5z n ILE 120 Cb 1.25 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 40.10 1s5z n ILE 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 1s5z s ILE 121 N 0.00 0.17 0.05 1.39 2.07 -1.26 -1.36 121.20 122.26 1s5z s ILE 121 Ca 0.00 -1.44 0.09 0.00 -1.41 0.00 0.00 60.65 57.89 1s5z s ILE 121 Cb 0.00 -1.42 -0.03 0.00 0.13 0.00 0.00 42.46 41.14 1s5z s ILE 121 CO 0.00 -0.78 -0.25 -2.28 -1.91 0.00 0.00 174.94 169.72 1s5z s HIS 122 N -3.89 2.21 -0.06 3.50 5.65 0.27 -4.91 115.29 118.06 1s5z s HIS 122 Ca 0.06 -0.40 -0.04 0.00 0.25 0.00 0.00 55.06 54.92 1s5z s HIS 122 Cb 0.06 -1.31 0.02 0.00 -1.18 0.00 0.00 32.58 30.17 1s5z s HIS 122 CO -0.10 0.14 0.15 0.20 -0.65 0.00 0.00 174.74 174.48 1s5z s GLY 123 N -1.31 -0.09 0.29 1.59 0.00 -1.26 -1.36 107.32 105.17 1s5z s GLY 123 Ca 0.11 0.52 -0.29 0.00 0.00 0.00 0.00 44.72 45.07 1s5z s GLY 123 CO 0.02 0.59 1.13 1.44 0.00 0.00 0.00 173.10 176.28 1s5z n SER 124 N 3.40 1.81 -0.29 1.64 7.64 -0.75 -4.88 113.62 122.19 1s5z n SER 124 Ca -0.17 1.18 0.13 0.00 1.01 0.00 0.00 58.87 61.02 1s5z n SER 124 Cb 0.57 -1.35 0.33 0.00 -1.01 0.00 0.00 64.21 62.75 1s5z n SER 124 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s5z n ASP 125 N 1.24 1.18 -3.64 6.43 5.75 -1.26 -4.80 116.55 121.46 1s5z n ASP 125 Ca 0.09 -0.99 -0.06 0.00 -0.01 0.00 0.00 54.79 53.81 1s5z n ASP 125 Cb 0.32 0.18 -0.02 0.00 -1.03 0.00 0.00 41.12 40.58 1s5z n ASP 125 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1s5z s SER 126 N -2.49 -0.29 0.30 -1.12 1.04 -1.26 -4.95 113.70 104.93 1s5z s SER 126 Ca 0.24 -0.23 -0.01 0.00 0.48 0.00 0.00 55.95 56.43 1s5z s SER 126 Cb 0.19 0.48 0.46 0.00 0.10 0.00 0.00 66.02 67.25 1s5z s SER 126 CO 0.52 -0.84 1.89 0.58 0.98 0.00 0.00 173.24 176.38 1s5z h VAL 127 N 2.00 1.21 -0.15 5.02 2.07 -1.93 0.36 116.25 124.83 1s5z h VAL 127 Ca -0.24 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1s5z h VAL 127 Cb 1.24 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1s5z h VAL 127 CO 0.28 0.25 0.05 -0.08 0.02 0.00 0.00 177.57 178.09 1s5z h GLU 128 N 0.87 0.23 -0.65 1.57 4.81 -1.97 -1.21 114.58 118.23 1s5z h GLU 128 Ca 0.21 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1s5z h GLU 128 Cb 0.13 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1s5z h GLU 128 CO -0.02 0.36 0.14 0.77 -0.73 0.00 0.00 179.01 179.52 1s5z h SER 129 N 0.06 1.00 0.27 1.04 0.02 -1.85 -2.38 113.55 111.71 1s5z h SER 129 Ca 0.05 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 1s5z h SER 129 Cb 0.22 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.47 1s5z h SER 129 CO -0.00 0.98 -0.30 0.00 -1.14 0.00 0.00 176.83 176.37 1s5z h ALA 130 N 1.05 -0.62 -0.83 3.77 0.00 -0.05 0.30 119.26 122.89 1s5z h ALA 130 Ca 0.20 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1s5z h ALA 130 Cb 0.38 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1s5z h ALA 130 CO 0.01 -0.89 0.54 -0.91 0.00 0.00 0.00 179.25 178.00 1s5z h ASN 131 N -0.62 0.82 -0.26 0.00 2.35 -1.19 0.11 115.58 116.78 1s5z h ASN 131 Ca -0.01 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1s5z h ASN 131 Cb 0.58 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 1s5z h ASN 131 CO -0.08 0.53 -0.06 -0.09 -1.65 0.00 0.00 177.43 176.08 1s5z h ARG 132 N 0.93 0.51 -0.30 0.81 2.43 -0.85 -2.73 114.38 115.18 1s5z h ARG 132 Ca 0.35 -0.19 -0.12 0.00 -0.81 0.00 0.00 59.98 59.20 1s5z h ARG 132 Cb 0.18 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1s5z h ARG 132 CO -0.12 0.72 -0.30 0.93 -1.51 0.00 0.00 179.97 179.69 1s5z h GLU 133 N 0.26 0.73 -0.87 0.20 5.08 0.11 -2.56 114.58 117.53 1s5z h GLU 133 Ca 0.07 -0.39 0.04 0.00 -1.00 0.00 0.00 59.36 58.08 1s5z h GLU 133 Cb 0.53 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.74 1s5z h GLU 133 CO 0.03 1.01 0.56 0.82 -1.00 0.00 0.00 179.01 180.42 1s5z h ILE 134 N 0.48 1.11 0.00 3.13 2.04 -0.85 -0.93 117.51 122.51 1s5z h ILE 134 Ca 0.05 -0.36 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1s5z h ILE 134 Cb 0.87 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1s5z h ILE 134 CO 0.07 0.19 -0.36 0.00 0.00 0.00 0.00 178.15 178.06 1s5z h ALA 135 N 1.37 1.26 -0.02 1.87 0.00 -1.43 -0.81 119.26 121.49 1s5z h ALA 135 Ca 0.36 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1s5z h ALA 135 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1s5z h ALA 135 CO -0.13 0.45 -0.15 -0.07 0.00 0.00 0.00 179.25 179.34 1s5z h LEU 136 N 0.00 0.18 0.00 0.00 3.38 -0.79 -3.38 115.31 114.69 1s5z h LEU 136 Ca -0.00 -0.68 -0.23 0.00 0.09 0.00 0.00 57.88 57.06 1s5z h LEU 136 Cb 0.70 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1s5z h LEU 136 CO 0.05 0.83 -1.29 -0.50 0.09 0.00 0.00 178.44 177.62 1s5z h TRP 137 N -0.46 0.00 -4.45 1.13 4.06 -1.22 -3.47 115.95 111.54 1s5z h TRP 137 Ca -0.01 0.00 -0.70 0.00 2.06 0.00 0.00 58.89 60.24 1s5z h TRP 137 Cb 0.83 0.00 -0.30 0.00 -1.00 0.00 0.00 29.16 28.69 1s5z h TRP 137 CO 0.15 0.89 -0.88 -0.06 -3.56 0.00 0.00 178.44 174.98 1s5z s PHE 138 N -2.72 2.37 0.51 0.49 0.08 -0.31 -5.10 117.98 113.29 1s5z s PHE 138 Ca -0.01 -0.49 -0.16 0.00 0.12 0.00 0.00 56.93 56.38 1s5z s PHE 138 Cb 0.09 -1.53 -0.08 0.00 -0.57 0.00 0.00 43.02 40.93 1s5z s PHE 138 CO 0.81 -0.07 0.98 0.15 -0.10 0.00 0.00 175.22 176.99 1s5z s LYS 139 N -0.51 3.94 0.39 0.44 1.02 -1.26 -4.55 119.74 119.21 1s5z s LYS 139 Ca 0.07 0.93 0.10 0.00 0.02 0.00 0.00 55.97 57.09 1s5z s LYS 139 Cb -0.11 -2.14 0.86 0.00 -0.52 0.00 0.00 37.83 35.92 1s5z s LYS 139 CO 0.00 -0.27 1.94 -1.35 -0.92 0.00 0.00 175.35 174.76 1s5z h PRO 140 N 0.91 0.60 0.00 -1.68 0.11 -1.95 -1.33 132.00 128.66 1s5z h PRO 140 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 1s5z h PRO 140 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 1s5z h PRO 140 CO 0.62 0.40 -0.07 0.93 -0.21 0.00 0.00 178.00 179.67 1s5z h GLU 141 N 0.62 0.00 -0.16 1.05 5.08 -2.02 -2.29 114.58 116.87 1s5z h GLU 141 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1s5z h GLU 141 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1s5z h GLU 141 CO -0.12 0.07 0.00 0.39 -1.00 0.00 0.00 179.01 178.35 1s5z n GLU 142 N -4.02 1.46 -5.20 2.33 1.02 -0.50 -4.82 120.64 110.91 1s5z n GLU 142 Ca -0.03 -0.71 -0.32 0.00 -0.02 0.00 0.00 57.16 56.09 1s5z n GLU 142 Cb 0.15 -1.26 -0.16 0.00 -0.02 0.00 0.00 31.44 30.15 1s5z n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1s5z s LEU 143 N -1.29 2.15 0.54 -4.62 1.43 -0.86 -4.44 118.68 111.60 1s5z s LEU 143 Ca 0.22 -0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 1s5z s LEU 143 Cb 0.11 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 1s5z s LEU 143 CO 0.17 0.21 1.28 -0.76 0.23 0.00 0.00 176.35 177.48 1s5z s LEU 144 N 0.03 3.83 -0.01 1.79 1.43 -0.33 -4.91 118.68 120.51 1s5z s LEU 144 Ca -0.09 2.57 0.07 0.00 -1.03 0.00 0.00 54.13 55.66 1s5z s LEU 144 Cb -0.15 -4.35 -0.11 0.00 0.03 0.00 0.00 46.19 41.60 1s5z s LEU 144 CO 0.06 -1.45 0.15 0.35 0.23 0.00 0.00 176.35 175.69 1s5z n THR 145 N -1.07 0.03 -3.47 5.49 -2.24 -1.26 -4.87 114.28 106.89 1s5z n THR 145 Ca 0.11 -0.18 -0.43 0.00 -2.27 0.00 0.00 64.05 61.28 1s5z n THR 145 Cb 0.47 0.25 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 1s5z n THR 145 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1s5z s GLU 146 N -2.49 2.77 -0.17 -0.78 1.03 -1.26 -4.93 118.70 112.86 1s5z s GLU 146 Ca -0.03 -1.55 -0.17 0.00 0.03 0.00 0.00 54.97 53.26 1s5z s GLU 146 Cb 0.05 -4.02 -0.06 0.00 -0.80 0.00 0.00 34.13 29.29 1s5z s GLU 146 CO 0.31 -1.11 -0.33 0.28 -1.33 0.00 0.00 175.26 173.08 1s5z n VAL 147 N 5.07 1.49 -2.01 1.83 0.31 -1.26 -5.11 118.33 118.65 1s5z n VAL 147 Ca -0.11 0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.34 1s5z n VAL 147 Cb 0.42 -2.35 -0.02 0.00 -0.91 0.00 0.00 33.84 30.97 1s5z n VAL 147 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1s5z n LYS 148 N -4.48 -2.20 -2.08 5.55 3.00 -1.26 -4.95 118.16 111.74 1s5z n LYS 148 Ca -0.13 1.92 -0.41 0.00 -0.00 0.00 0.00 58.31 59.68 1s5z n LYS 148 Cb 0.49 -2.93 -0.03 0.00 0.00 0.00 0.00 35.03 32.56 1s5z n LYS 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 1s5z s PRO 149 N -0.85 4.31 -0.18 1.64 0.04 -1.26 -4.98 135.00 133.71 1s5z s PRO 149 Ca -0.14 2.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.82 1s5z s PRO 149 Cb 0.01 -3.15 -0.00 0.00 0.04 0.00 0.00 34.50 31.40 1s5z s PRO 149 CO 0.38 -0.38 1.10 1.21 0.04 0.00 0.00 177.00 179.34 1s5z s ASN 150 N 0.44 7.08 0.66 6.66 3.04 -1.26 -4.92 114.94 126.64 1s5z s ASN 150 Ca 0.59 1.50 0.41 0.00 0.04 0.00 0.00 52.86 55.41 1s5z s ASN 150 Cb -0.40 -2.54 2.27 0.00 -1.54 0.00 0.00 41.25 39.04 1s5z s ASN 150 CO 0.40 -0.65 2.30 1.55 -3.04 0.00 0.00 177.10 177.66 1s5z h PRO 151 N 7.56 0.00 0.00 0.43 0.13 -1.94 -0.38 132.00 137.80 1s5z h PRO 151 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1s5z h PRO 151 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1s5z h PRO 151 CO 0.95 0.00 -0.27 -0.91 -0.23 0.00 0.00 178.00 177.54 1s5z h ASN 152 N 0.00 0.00 0.12 1.44 2.35 -2.02 -3.35 115.58 114.13 1s5z h ASN 152 Ca 0.00 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.39 1s5z h ASN 152 Cb 0.11 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.46 1s5z h ASN 152 CO -0.00 0.04 -2.03 0.18 -1.65 0.00 0.00 177.43 173.97 1s5z n LEU 153 N -3.01 2.63 -4.41 1.61 4.77 -0.20 -4.98 117.00 113.41 1s5z n LEU 153 Ca 0.03 0.19 -0.30 0.00 -0.03 0.00 0.00 56.01 55.90 1s5z n LEU 153 Cb 0.55 -1.08 -0.13 0.00 -2.33 0.00 0.00 43.42 40.43 1s5z n LEU 153 CO 0.36 0.85 -0.54 -0.31 -1.33 0.00 0.00 177.39 176.42 1s5z s TYR 154 N -2.56 2.41 -2.00 -1.77 2.02 -0.90 -5.07 117.35 109.48 1s5z s TYR 154 Ca -0.23 -0.34 0.32 0.00 -0.37 0.00 0.00 57.07 56.45 1s5z s TYR 154 Cb 0.07 -1.34 1.91 0.00 -0.40 0.00 0.00 41.96 42.19 1s5z s TYR 154 CO 0.76 0.29 2.23 -1.91 -1.57 0.00 0.00 175.55 175.35