#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a8z s ASP 4 N 0.00 6.68 -0.13 -1.43 2.15 -0.15 -4.79 116.67 119.00 1a8z s ASP 4 Ca 0.00 1.22 0.15 0.00 0.43 0.00 0.00 52.55 54.35 1a8z s ASP 4 Cb 0.00 -2.54 0.33 0.00 -0.30 0.00 0.00 42.92 40.41 1a8z s ASP 4 CO 0.00 -1.07 1.16 0.35 -0.17 0.00 0.00 175.17 175.44 1a8z n THR 5 N 6.18 1.53 -3.70 1.71 -2.24 -1.26 -0.23 114.28 116.27 1a8z n THR 5 Ca 0.15 -2.22 -0.37 0.00 -2.27 0.00 0.00 64.05 59.34 1a8z n THR 5 Cb 0.47 0.02 -0.12 0.00 -2.10 0.00 0.00 70.33 68.59 1a8z n THR 5 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1a8z s SER 6 N -2.68 5.38 0.17 3.42 0.01 -1.26 -5.03 113.70 113.71 1a8z s SER 6 Ca 0.31 -0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.45 1a8z s SER 6 Cb 0.30 -1.98 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 1a8z s SER 6 CO -0.04 -0.07 -0.24 0.26 0.41 0.00 0.00 173.24 173.56 1a8z s TRP 7 N 1.64 2.33 0.27 2.43 0.52 -1.26 -4.62 118.94 120.25 1a8z s TRP 7 Ca 0.06 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.89 1a8z s TRP 7 Cb -0.16 -1.19 -0.06 0.00 -1.15 0.00 0.00 33.47 30.92 1a8z s TRP 7 CO 0.06 0.45 -0.04 0.15 0.02 0.00 0.00 176.95 177.58 1a8z s LYS 8 N -2.49 1.51 -0.04 4.98 -0.14 -0.44 -4.96 119.74 118.15 1a8z s LYS 8 Ca 0.19 -1.76 0.06 0.00 -1.36 0.00 0.00 55.97 53.09 1a8z s LYS 8 Cb -0.09 -1.03 -0.02 0.00 -1.68 0.00 0.00 37.83 35.02 1a8z s LYS 8 CO 0.09 0.00 -0.21 -1.21 -0.76 0.00 0.00 175.35 173.27 1a8z s GLU 9 N -3.76 2.41 0.02 1.68 0.41 -1.26 -1.03 118.70 117.17 1a8z s GLU 9 Ca 0.29 -0.82 0.03 0.00 -0.41 0.00 0.00 54.97 54.06 1a8z s GLU 9 Cb 0.04 -2.22 -0.02 0.00 -1.78 0.00 0.00 34.13 30.15 1a8z s GLU 9 CO 0.11 0.53 -0.10 0.00 -0.49 0.00 0.00 175.26 175.32 1a8z s ALA 10 N -0.52 0.78 0.69 5.21 0.00 -0.41 -4.91 121.76 122.59 1a8z s ALA 10 Ca 0.07 -0.61 -0.08 0.00 0.00 0.00 0.00 51.96 51.34 1a8z s ALA 10 Cb -0.11 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1a8z s ALA 10 CO 0.01 0.12 1.02 0.95 0.00 0.00 0.00 175.76 177.86 1a8z s THR 11 N -0.74 2.76 0.25 0.00 -4.23 -1.26 -0.71 115.64 111.70 1a8z s THR 11 Ca -0.01 -0.06 -0.03 0.00 -1.18 0.00 0.00 61.69 60.41 1a8z s THR 11 Cb -0.07 -3.18 0.22 0.00 1.34 0.00 0.00 72.50 70.82 1a8z s THR 11 CO 0.00 -0.21 1.78 0.25 -0.54 0.00 0.00 174.62 175.91 1a8z h LEU 12 N -0.56 0.57 -1.53 4.79 5.85 -1.98 -0.48 115.31 121.97 1a8z h LEU 12 Ca -0.45 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.30 1a8z h LEU 12 Cb 1.29 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 1a8z h LEU 12 CO 0.62 0.29 -0.14 1.55 -0.34 0.00 0.00 178.44 180.41 1a8z h PRO 13 N 0.68 0.13 -0.20 5.25 0.13 -1.97 -1.49 132.00 134.53 1a8z h PRO 13 Ca 0.43 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 65.46 1a8z h PRO 13 Cb 0.51 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 31.62 1a8z h PRO 13 CO -0.31 0.27 -0.15 1.96 -0.23 0.00 0.00 178.00 179.54 1a8z h GLN 14 N 0.12 0.45 -0.58 0.86 4.20 -1.49 -1.63 115.11 117.05 1a8z h GLN 14 Ca 0.03 -0.22 0.06 0.00 0.06 0.00 0.00 58.65 58.58 1a8z h GLN 14 Cb 0.33 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 1a8z h GLN 14 CO 0.02 0.78 0.27 0.28 -0.67 0.00 0.00 178.83 179.51 1a8z h VAL 15 N 0.13 0.90 -0.34 -0.54 2.07 -1.02 0.23 116.25 117.68 1a8z h VAL 15 Ca 0.04 -0.18 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 1a8z h VAL 15 Cb 0.68 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 1a8z h VAL 15 CO 0.04 0.09 -0.05 0.11 0.02 0.00 0.00 177.57 177.78 1a8z h LYS 16 N 0.51 0.54 -0.50 1.57 1.57 -1.20 -1.49 116.57 117.58 1a8z h LYS 16 Ca 0.27 -0.13 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 1a8z h LYS 16 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 1a8z h LYS 16 CO -0.21 0.61 -0.19 0.00 -0.57 0.00 0.00 179.45 179.08 1a8z h ALA 17 N 1.44 0.69 -0.41 3.86 0.00 -0.15 -3.20 119.26 121.49 1a8z h ALA 17 Ca 0.10 -0.38 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1a8z h ALA 17 Cb 0.41 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1a8z h ALA 17 CO 0.02 0.67 -0.14 0.52 0.00 0.00 0.00 179.25 180.32 1a8z h MET 18 N 0.87 0.82 -0.62 0.00 2.86 -0.62 -3.03 114.93 115.20 1a8z h MET 18 Ca 0.12 -0.33 0.15 0.00 -2.06 0.00 0.00 59.70 57.57 1a8z h MET 18 Cb 0.77 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.36 1a8z h MET 18 CO 0.06 0.96 0.43 -0.07 1.06 0.00 0.00 176.91 179.35 1a8z h LEU 19 N 0.63 0.17 -0.10 1.22 3.38 -1.28 -1.16 115.31 118.16 1a8z h LEU 19 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1a8z h LEU 19 Cb 0.68 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1a8z h LEU 19 CO 0.05 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1a8z n GLN 20 N -4.42 0.10 -0.08 1.13 6.02 -1.15 -3.56 117.38 115.44 1a8z n GLN 20 Ca 0.12 0.17 0.09 0.00 -0.01 0.00 0.00 57.00 57.37 1a8z n GLN 20 Cb 0.57 -1.64 0.36 0.00 1.02 0.00 0.00 30.24 30.55 1a8z n GLN 20 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1a8z n LYS 21 N -1.83 1.60 -2.22 -1.09 4.01 -0.44 -4.88 118.16 113.32 1a8z n LYS 21 Ca 0.05 -0.91 -0.42 0.00 -0.51 0.00 0.00 58.31 56.52 1a8z n LYS 21 Cb 0.32 -1.35 -0.03 0.00 -0.51 0.00 0.00 35.03 33.46 1a8z n LYS 21 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 1a8z s ASP 22 N -1.48 6.84 -0.02 4.39 -1.08 -1.23 -4.81 116.67 119.28 1a8z s ASP 22 Ca 0.29 2.11 0.07 0.00 -0.52 0.00 0.00 52.55 54.50 1a8z s ASP 22 Cb 0.15 -2.56 0.23 0.00 -1.46 0.00 0.00 42.92 39.29 1a8z s ASP 22 CO 0.23 -0.73 1.11 0.35 0.52 0.00 0.00 175.17 176.65 1a8z n THR 23 N 4.73 0.49 -2.45 1.71 -2.24 -0.17 -4.94 114.28 111.40 1a8z n THR 23 Ca 0.13 -0.36 -0.26 0.00 -2.27 0.00 0.00 64.05 61.29 1a8z n THR 23 Cb 0.44 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.70 1a8z n THR 23 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1a8z s GLY 24 N -0.80 1.62 -0.14 3.38 0.00 -1.26 -4.69 107.32 105.43 1a8z s GLY 24 Ca 0.17 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1a8z s GLY 24 CO 0.10 -0.50 -0.15 1.25 0.00 0.00 0.00 173.10 173.80 1a8z s LYS 25 N -4.96 3.28 0.28 2.90 2.47 -0.50 -4.89 119.74 118.32 1a8z s LYS 25 Ca 0.54 -0.73 -0.13 0.00 -1.56 0.00 0.00 55.97 54.09 1a8z s LYS 25 Cb -0.10 -2.60 -0.08 0.00 -1.46 0.00 0.00 37.83 33.58 1a8z s LYS 25 CO 0.44 0.12 0.66 0.08 0.16 0.00 0.00 175.35 176.81 1a8z s VAL 26 N 0.57 4.78 -0.29 4.02 1.01 -1.26 -0.88 120.40 128.35 1a8z s VAL 26 Ca -0.09 0.76 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1a8z s VAL 26 Cb -0.16 -3.61 0.19 0.00 0.00 0.00 0.00 36.38 32.80 1a8z s VAL 26 CO 0.03 -0.14 0.68 -0.55 0.00 0.00 0.00 175.10 175.12 1a8z s SER 27 N -2.30 -1.36 1.05 3.32 0.15 -0.39 -4.98 113.70 109.19 1a8z s SER 27 Ca 0.51 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.51 1a8z s SER 27 Cb -0.11 1.94 0.00 0.00 -1.71 0.00 0.00 66.02 66.14 1a8z s SER 27 CO 0.19 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.99 1a8z n GLY 28 N 5.39 1.70 2.54 9.45 0.00 -1.26 -2.27 105.19 120.74 1a8z n GLY 28 Ca 0.03 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 1a8z n GLY 28 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a8z n ASP 29 N 4.70 6.23 -3.95 1.61 -0.08 -1.26 -4.93 116.55 118.87 1a8z n ASP 29 Ca 0.00 -3.78 -0.19 0.00 -1.51 0.00 0.00 54.79 49.31 1a8z n ASP 29 Cb 0.00 -0.74 -0.16 0.00 2.34 0.00 0.00 41.12 42.56 1a8z n ASP 29 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1a8z s THR 30 N -5.12 0.59 -0.19 5.18 2.01 -0.96 -1.96 115.64 115.19 1a8z s THR 30 Ca 0.53 -0.23 -0.01 0.00 0.31 0.00 0.00 61.69 62.29 1a8z s THR 30 Cb 0.43 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 72.39 1a8z s THR 30 CO -0.21 0.21 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.11 1a8z s VAL 31 N 0.41 2.67 -0.24 3.82 1.01 -0.52 -1.26 120.40 126.29 1a8z s VAL 31 Ca -0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1a8z s VAL 31 Cb -0.09 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1a8z s VAL 31 CO 0.00 0.49 0.08 -0.89 0.00 0.00 0.00 175.10 174.79 1a8z s THR 32 N 1.28 4.57 0.22 3.92 2.01 -0.06 -0.79 115.64 126.80 1a8z s THR 32 Ca 0.04 -0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.00 1a8z s THR 32 Cb -0.14 -3.12 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 1a8z s THR 32 CO -0.07 0.36 0.29 -0.31 -0.69 0.00 0.00 174.62 174.20 1a8z s TYR 33 N 1.32 3.35 0.05 4.92 1.51 -0.52 -1.41 117.35 126.57 1a8z s TYR 33 Ca 0.05 -0.02 -0.19 0.00 -1.01 0.00 0.00 57.07 55.90 1a8z s TYR 33 Cb -0.15 -1.54 0.04 0.00 -0.11 0.00 0.00 41.96 40.20 1a8z s TYR 33 CO 0.04 0.48 0.43 -1.54 -1.11 0.00 0.00 175.55 173.85 1a8z s SER 34 N -3.77 -0.31 0.00 2.29 1.04 -1.26 -4.39 113.70 107.29 1a8z s SER 34 Ca 0.34 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1a8z s SER 34 Cb -0.09 0.44 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1a8z s SER 34 CO 0.27 -0.69 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1a8z n GLY 35 N 0.42 0.90 0.16 7.32 0.00 -1.26 -4.76 105.19 107.98 1a8z n GLY 35 Ca -0.18 -2.20 -0.18 0.00 0.00 0.00 0.00 46.02 43.46 1a8z n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a8z h LYS 36 N 0.00 0.52 -4.72 1.61 1.57 -1.97 -3.43 116.57 110.16 1a8z h LYS 36 Ca 0.00 -0.52 -0.61 0.00 -1.87 0.00 0.00 60.65 57.64 1a8z h LYS 36 Cb 0.00 0.14 -0.36 0.00 0.08 0.00 0.00 32.23 32.09 1a8z h LYS 36 CO 0.00 1.16 -0.83 0.99 -0.57 0.00 0.00 179.45 180.19 1a8z s THR 37 N -3.36 1.65 0.16 -0.16 2.01 -1.26 -0.97 115.64 113.72 1a8z s THR 37 Ca -0.12 -0.72 0.06 0.00 0.31 0.00 0.00 61.69 61.21 1a8z s THR 37 Cb 0.05 -1.56 -0.04 0.00 0.01 0.00 0.00 72.50 70.96 1a8z s THR 37 CO 0.85 0.44 0.10 0.68 -0.69 0.00 0.00 174.62 176.00 1a8z s VAL 38 N 1.45 4.29 -0.21 3.82 -7.23 -0.09 -4.96 120.40 117.47 1a8z s VAL 38 Ca 0.04 -1.16 0.02 0.00 -1.81 0.00 0.00 61.98 59.07 1a8z s VAL 38 Cb -0.13 -3.18 0.04 0.00 0.56 0.00 0.00 36.38 33.67 1a8z s VAL 38 CO -0.11 -0.10 -0.14 -1.00 -0.31 0.00 0.00 175.10 173.44 1a8z s HIS 39 N -1.73 2.80 -0.22 2.82 3.76 -1.26 -1.14 115.29 120.33 1a8z s HIS 39 Ca 0.30 -1.84 -0.08 0.00 -0.15 0.00 0.00 55.06 53.30 1a8z s HIS 39 Cb -0.10 -1.82 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1a8z s HIS 39 CO 0.22 -0.81 0.08 0.08 -0.85 0.00 0.00 174.74 173.46 1a8z s VAL 40 N 1.27 4.63 -0.27 -0.90 1.01 -0.40 -1.00 120.40 124.73 1a8z s VAL 40 Ca -0.01 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.91 1a8z s VAL 40 Cb -0.16 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.16 1a8z s VAL 40 CO -0.09 0.39 -0.07 -0.69 0.00 0.00 0.00 175.10 174.64 1a8z s VAL 41 N 1.01 2.08 0.05 2.92 1.01 -1.26 -0.97 120.40 125.24 1a8z s VAL 41 Ca 0.04 -1.69 0.03 0.00 0.00 0.00 0.00 61.98 60.36 1a8z s VAL 41 Cb -0.14 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1a8z s VAL 41 CO 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 175.10 174.99 1a8z s ALA 42 N 1.12 3.29 0.03 5.51 0.00 -0.27 -4.08 121.76 127.35 1a8z s ALA 42 Ca -0.05 -1.03 0.02 0.00 0.00 0.00 0.00 51.96 50.89 1a8z s ALA 42 Cb -0.20 -1.27 -0.02 0.00 0.00 0.00 0.00 23.12 21.64 1a8z s ALA 42 CO -0.06 0.68 -0.07 0.00 0.00 0.00 0.00 175.76 176.31 1a8z s ALA 43 N -1.20 0.53 -0.34 0.00 0.00 -0.50 -1.35 121.76 118.89 1a8z s ALA 43 Ca 0.23 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.39 1a8z s ALA 43 Cb -0.12 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.00 1a8z s ALA 43 CO 0.15 0.02 0.61 0.00 0.00 0.00 0.00 175.76 176.54 1a8z s ALA 44 N -0.99 3.48 -0.37 0.00 0.00 -0.43 -0.86 121.76 122.59 1a8z s ALA 44 Ca -0.06 -0.83 -0.26 0.00 0.00 0.00 0.00 51.96 50.81 1a8z s ALA 44 Cb -0.08 -3.13 0.04 0.00 0.00 0.00 0.00 23.12 19.95 1a8z s ALA 44 CO 0.00 -1.26 0.51 0.28 0.00 0.00 0.00 175.76 175.29 1a8z n VAL 45 N 5.52 -5.81 -2.43 0.00 0.31 -0.16 -3.08 118.33 112.68 1a8z n VAL 45 Ca -0.02 0.45 -0.37 0.00 -0.01 0.00 0.00 64.34 64.39 1a8z n VAL 45 Cb 0.49 -4.55 -0.03 0.00 -0.91 0.00 0.00 33.84 28.84 1a8z n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1a8z s LEU 46 N -2.21 4.16 0.07 7.52 1.43 -1.26 -4.08 118.68 124.31 1a8z s LEU 46 Ca 0.27 2.17 -0.37 0.00 -1.03 0.00 0.00 54.13 55.18 1a8z s LEU 46 Cb -0.04 -4.11 -0.17 0.00 0.03 0.00 0.00 46.19 41.90 1a8z s LEU 46 CO 0.71 -0.58 1.35 -2.65 0.23 0.00 0.00 176.35 175.41 1a8z n PRO 47 N -0.01 1.13 0.00 1.29 -0.02 -1.26 -0.98 135.00 135.15 1a8z n PRO 47 Ca 0.05 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1a8z n PRO 47 Cb 0.48 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1a8z n PRO 47 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a8z n GLY 48 N 2.56 2.74 3.93 -1.23 0.00 -1.26 -5.06 105.19 106.87 1a8z n GLY 48 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1a8z n GLY 48 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8z s PHE 49 N -2.45 3.51 0.42 1.61 0.08 -0.15 -5.05 117.98 115.94 1a8z s PHE 49 Ca 0.00 0.55 -0.26 0.00 0.12 0.00 0.00 56.93 57.34 1a8z s PHE 49 Cb 0.00 -2.10 -0.09 0.00 -0.57 0.00 0.00 43.02 40.26 1a8z s PHE 49 CO 0.00 -0.09 1.33 -2.14 -0.10 0.00 0.00 175.22 174.22 1a8z s PRO 50 N -4.52 3.90 -0.16 0.24 0.02 -1.26 -4.81 135.00 128.41 1a8z s PRO 50 Ca 0.44 2.22 -0.12 0.00 0.02 0.00 0.00 61.00 63.56 1a8z s PRO 50 Cb -0.10 -2.73 -0.05 0.00 0.02 0.00 0.00 34.50 31.64 1a8z s PRO 50 CO 0.40 -0.57 0.23 0.12 -0.33 0.00 0.00 177.00 176.85 1a8z s PHE 51 N -1.25 3.48 -0.03 6.54 2.19 -1.26 -3.20 117.98 124.45 1a8z s PHE 51 Ca 0.58 0.53 -0.02 0.00 0.33 0.00 0.00 56.93 58.35 1a8z s PHE 51 Cb -0.39 -2.23 -0.04 0.00 -1.31 0.00 0.00 43.02 39.05 1a8z s PHE 51 CO 0.51 0.34 0.10 -1.25 1.83 0.00 0.00 175.22 176.75 1a8z s PRO 52 N 0.15 3.18 0.18 10.12 0.04 -1.26 -5.10 135.00 142.30 1a8z s PRO 52 Ca 0.14 -0.39 -0.23 0.00 0.04 0.00 0.00 61.00 60.55 1a8z s PRO 52 Cb -0.12 -2.94 0.05 0.00 0.04 0.00 0.00 34.50 31.53 1a8z s PRO 52 CO 0.03 0.68 0.76 -1.54 0.04 0.00 0.00 177.00 176.96 1a8z s SER 53 N -1.57 -0.35 0.03 6.66 1.04 -1.19 -3.94 113.70 114.38 1a8z s SER 53 Ca 0.21 -0.31 0.03 0.00 0.48 0.00 0.00 55.95 56.37 1a8z s SER 53 Cb -0.12 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1a8z s SER 53 CO 0.12 -1.05 -0.04 -0.36 0.98 0.00 0.00 173.24 172.90 1a8z s PHE 54 N -3.63 2.95 -0.09 5.02 0.08 -1.26 -0.99 117.98 120.07 1a8z s PHE 54 Ca 0.08 -0.01 0.03 0.00 0.12 0.00 0.00 56.93 57.15 1a8z s PHE 54 Cb -0.03 -1.59 0.00 0.00 -0.57 0.00 0.00 43.02 40.83 1a8z s PHE 54 CO -0.02 0.43 -0.20 -1.21 -0.10 0.00 0.00 175.22 174.12 1a8z s GLU 55 N -1.72 2.60 -0.07 0.44 8.01 -0.04 -0.11 118.70 127.81 1a8z s GLU 55 Ca 0.20 -0.72 -0.00 0.00 0.01 0.00 0.00 54.97 54.45 1a8z s GLU 55 Cb -0.11 -2.00 0.02 0.00 -4.31 0.00 0.00 34.13 27.73 1a8z s GLU 55 CO 0.11 0.13 -0.04 0.08 0.01 0.00 0.00 175.26 175.55 1a8z s VAL 56 N 0.45 0.63 -1.47 2.63 1.01 -0.65 -1.41 120.40 121.58 1a8z s VAL 56 Ca -0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 61.98 61.63 1a8z s VAL 56 Cb -0.17 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.54 1a8z s VAL 56 CO 0.07 0.28 0.78 1.57 0.00 0.00 0.00 175.10 177.80 1a8z n HIS 57 N 4.64 -2.21 -1.85 5.22 -0.00 -1.26 -2.01 115.22 117.75 1a8z n HIS 57 Ca -0.15 0.69 -0.15 0.00 -0.00 0.00 0.00 57.72 58.10 1a8z n HIS 57 Cb 0.50 -4.33 -0.04 0.00 -0.00 0.00 0.00 29.99 26.13 1a8z n HIS 57 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 1a8z n ASP 58 N -2.65 -4.70 -4.39 0.26 2.03 -1.26 -5.01 116.55 100.83 1a8z n ASP 58 Ca -0.05 0.18 -0.27 0.00 0.52 0.00 0.00 54.79 55.18 1a8z n ASP 58 Cb 0.58 -3.68 -0.12 0.00 -0.72 0.00 0.00 41.12 37.18 1a8z n ASP 58 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1a8z s LYS 59 N -4.00 1.42 -0.21 -0.67 -0.14 -0.85 -5.11 119.74 110.17 1a8z s LYS 59 Ca 0.00 -1.42 -0.20 0.00 -1.36 0.00 0.00 55.97 52.98 1a8z s LYS 59 Cb 0.00 -1.76 -0.02 0.00 -1.68 0.00 0.00 37.83 34.37 1a8z s LYS 59 CO 0.00 0.39 0.61 0.21 -0.76 0.00 0.00 175.35 175.80 1a8z s LYS 60 N -2.43 4.18 -1.42 1.68 2.20 -1.26 -1.64 119.74 121.05 1a8z s LYS 60 Ca 0.17 0.57 -0.11 0.00 -0.36 0.00 0.00 55.97 56.23 1a8z s LYS 60 Cb -0.08 -3.60 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1a8z s LYS 60 CO 0.08 -0.27 0.28 0.09 -0.36 0.00 0.00 175.35 175.17 1a8z n ASN 61 N 5.19 -0.93 -4.83 1.43 3.02 0.84 -4.92 115.26 115.06 1a8z n ASN 61 Ca -0.02 -1.25 -0.31 0.00 -0.03 0.00 0.00 54.58 52.98 1a8z n ASN 61 Cb 0.50 -1.85 0.06 0.00 -0.61 0.00 0.00 39.78 37.87 1a8z n ASN 61 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1a8z s PRO 62 N -7.26 2.78 -0.10 3.52 0.04 -1.26 -4.72 135.00 128.00 1a8z s PRO 62 Ca 0.17 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 61.72 1a8z s PRO 62 Cb -0.09 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1a8z s PRO 62 CO 0.97 -1.17 0.92 0.99 0.04 0.00 0.00 177.00 178.75 1a8z s THR 63 N -3.13 4.86 -0.18 1.26 2.01 -0.83 -4.10 115.64 115.53 1a8z s THR 63 Ca 0.58 1.86 -0.14 0.00 0.31 0.00 0.00 61.69 64.30 1a8z s THR 63 Cb -0.13 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1a8z s THR 63 CO 0.54 0.07 0.32 -0.76 -0.69 0.00 0.00 174.62 174.11 1a8z s LEU 64 N 1.69 4.20 -0.37 4.42 1.43 0.46 -1.44 118.68 129.07 1a8z s LEU 64 Ca 0.45 0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 53.93 1a8z s LEU 64 Cb -0.18 -2.40 0.04 0.00 0.03 0.00 0.00 46.19 43.68 1a8z s LEU 64 CO 0.18 0.03 0.19 -1.81 0.23 0.00 0.00 176.35 175.18 1a8z s ASP 65 N 0.74 5.61 -0.08 2.29 1.11 0.03 -0.38 116.67 125.99 1a8z s ASP 65 Ca 0.17 -1.14 -0.00 0.00 0.18 0.00 0.00 52.55 51.76 1a8z s ASP 65 Cb -0.14 -1.98 -0.03 0.00 1.07 0.00 0.00 42.92 41.85 1a8z s ASP 65 CO 0.05 -0.40 -0.05 -0.63 1.18 0.00 0.00 175.17 175.32 1a8z s ILE 66 N 1.49 3.84 0.18 0.77 -1.09 -0.19 -1.44 121.20 124.76 1a8z s ILE 66 Ca 0.01 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 57.71 1a8z s ILE 66 Cb -0.20 -2.59 -0.08 0.00 -1.58 0.00 0.00 42.46 38.01 1a8z s ILE 66 CO 0.05 0.59 1.07 -2.16 -1.23 0.00 0.00 174.94 173.26 1a8z s PRO 67 N -0.70 4.63 0.30 2.79 0.04 -1.26 -1.89 135.00 138.91 1a8z s PRO 67 Ca 0.11 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 1a8z s PRO 67 Cb -0.11 -3.29 -0.11 0.00 0.04 0.00 0.00 34.50 31.03 1a8z s PRO 67 CO 0.02 0.13 1.56 0.00 0.04 0.00 0.00 177.00 178.75 1a8z s ALA 68 N -0.31 3.70 0.00 8.56 0.00 -1.26 -2.47 121.76 129.98 1a8z s ALA 68 Ca 0.48 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.98 1a8z s ALA 68 Cb -0.28 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1a8z s ALA 68 CO 0.34 -0.96 0.00 0.41 0.00 0.00 0.00 175.76 175.55 1a8z n GLY 69 N 1.89 2.15 3.79 0.00 0.00 -1.26 -5.01 105.19 106.74 1a8z n GLY 69 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1a8z n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a8z s ALA 70 N -2.44 3.04 -0.11 4.61 0.00 -1.03 -5.01 121.76 120.81 1a8z s ALA 70 Ca 0.00 0.65 -0.25 0.00 0.00 0.00 0.00 51.96 52.36 1a8z s ALA 70 Cb 0.00 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.84 1a8z s ALA 70 CO 0.00 -0.20 0.81 0.99 0.00 0.00 0.00 175.76 177.36 1a8z s THR 71 N -1.76 4.93 -0.38 0.00 2.01 -0.15 -4.48 115.64 115.81 1a8z s THR 71 Ca 0.60 1.63 -0.10 0.00 0.31 0.00 0.00 61.69 64.13 1a8z s THR 71 Cb -0.20 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.22 1a8z s THR 71 CO 0.25 0.12 0.21 -0.69 -0.69 0.00 0.00 174.62 173.82 1a8z s VAL 72 N 1.54 4.44 -0.33 3.82 1.01 0.24 -0.92 120.40 130.21 1a8z s VAL 72 Ca 0.40 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.18 1a8z s VAL 72 Cb -0.18 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1a8z s VAL 72 CO 0.16 -0.30 0.51 -1.81 0.00 0.00 0.00 175.10 173.66 1a8z s ASP 73 N 1.69 6.34 -0.13 3.32 1.01 -0.29 -0.70 116.67 127.90 1a8z s ASP 73 Ca 0.02 0.11 -0.02 0.00 0.71 0.00 0.00 52.55 53.36 1a8z s ASP 73 Cb -0.20 -2.27 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1a8z s ASP 73 CO 0.05 -0.42 -0.05 -0.69 0.21 0.00 0.00 175.17 174.27 1a8z s VAL 74 N 2.37 3.80 -0.14 -1.27 1.01 -0.01 -1.28 120.40 124.87 1a8z s VAL 74 Ca 0.19 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.78 1a8z s VAL 74 Cb -0.15 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.59 1a8z s VAL 74 CO 0.12 0.52 -0.18 -0.89 0.00 0.00 0.00 175.10 174.67 1a8z s THR 75 N 0.10 2.42 -0.08 3.92 2.01 -0.14 -0.88 115.64 122.99 1a8z s THR 75 Ca -0.01 -0.86 0.05 0.00 0.31 0.00 0.00 61.69 61.17 1a8z s THR 75 Cb -0.14 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.37 1a8z s THR 75 CO 0.03 0.53 -0.24 0.12 -0.69 0.00 0.00 174.62 174.37 1a8z s PHE 76 N 0.73 2.52 -0.06 4.92 5.36 -0.14 -1.12 117.98 130.19 1a8z s PHE 76 Ca -0.08 -0.89 0.04 0.00 -0.96 0.00 0.00 56.93 55.04 1a8z s PHE 76 Cb -0.16 -1.67 0.00 0.00 -0.34 0.00 0.00 43.02 40.86 1a8z s PHE 76 CO 0.01 -0.32 -0.18 0.42 -1.46 0.00 0.00 175.22 173.69 1a8z s ILE 77 N 0.12 1.55 -0.46 3.12 1.01 -0.45 -0.95 121.20 125.15 1a8z s ILE 77 Ca -0.12 -0.75 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1a8z s ILE 77 Cb -0.16 -1.35 0.07 0.00 0.01 0.00 0.00 42.46 41.03 1a8z s ILE 77 CO 0.07 0.45 0.36 0.21 0.00 0.00 0.00 174.94 176.02 1a8z s ASN 78 N 0.26 6.03 0.00 3.58 3.04 -0.59 -1.32 114.94 125.95 1a8z s ASN 78 Ca -0.10 -1.32 0.20 0.00 0.04 0.00 0.00 52.86 51.67 1a8z s ASN 78 Cb -0.14 -2.14 0.47 0.00 -1.54 0.00 0.00 41.25 37.89 1a8z s ASN 78 CO 0.04 -0.61 1.39 0.35 -3.04 0.00 0.00 177.10 175.24 1a8z n THR 79 N 5.14 0.75 -3.25 -5.21 -2.24 -1.18 -4.13 114.28 104.16 1a8z n THR 79 Ca -0.12 -0.87 -0.43 0.00 -2.27 0.00 0.00 64.05 60.35 1a8z n THR 79 Cb 0.44 0.73 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 1a8z n THR 79 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1a8z s ASN 80 N -1.18 6.21 0.19 3.42 2.47 -1.19 -4.83 114.94 120.03 1a8z s ASN 80 Ca 0.38 -0.83 -0.33 0.00 0.42 0.00 0.00 52.86 52.50 1a8z s ASN 80 Cb 0.21 -2.25 -0.13 0.00 -1.45 0.00 0.00 41.25 37.63 1a8z s ASN 80 CO 0.28 -0.72 1.58 0.29 -3.72 0.00 0.00 177.10 174.81 1a8z n LYS 81 N 5.80 2.27 0.00 0.43 4.76 -1.26 -3.00 118.16 127.16 1a8z n LYS 81 Ca -0.07 0.82 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 1a8z n LYS 81 Cb 0.46 -2.58 0.00 0.00 -1.84 0.00 0.00 35.03 31.07 1a8z n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1a8z n GLY 82 N 3.22 1.97 3.10 0.72 0.00 -1.26 -5.01 105.19 107.93 1a8z n GLY 82 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1a8z n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8z s PHE 83 N -2.33 1.12 -0.90 1.61 0.40 -1.16 -5.04 117.98 111.69 1a8z s PHE 83 Ca 0.00 -0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1a8z s PHE 83 Cb 0.00 -0.71 0.28 0.00 0.51 0.00 0.00 43.02 43.11 1a8z s PHE 83 CO 0.00 -0.00 1.15 0.41 0.70 0.00 0.00 175.22 177.48 1a8z n GLY 84 N 2.50 4.98 3.56 4.36 0.00 -1.26 -4.57 105.19 114.76 1a8z n GLY 84 Ca -0.15 -2.71 -0.29 0.00 0.00 0.00 0.00 46.02 42.86 1a8z n GLY 84 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1a8z s HIS 85 N -2.60 1.44 0.22 1.61 3.76 -1.26 -3.28 115.29 115.17 1a8z s HIS 85 Ca 0.34 1.46 0.08 0.00 -0.15 0.00 0.00 55.06 56.79 1a8z s HIS 85 Cb 0.08 -3.20 -0.05 0.00 1.11 0.00 0.00 32.58 30.52 1a8z s HIS 85 CO 0.05 -3.45 -0.14 -1.54 -0.85 0.00 0.00 174.74 168.80 1a8z s SER 86 N -2.56 2.69 -0.26 1.40 1.04 -1.26 -1.43 113.70 113.32 1a8z s SER 86 Ca 0.68 -1.04 0.01 0.00 0.48 0.00 0.00 55.95 56.08 1a8z s SER 86 Cb -0.24 -0.15 0.07 0.00 0.10 0.00 0.00 66.02 65.80 1a8z s SER 86 CO 0.62 -0.16 -0.01 0.12 0.98 0.00 0.00 173.24 174.79 1a8z s PHE 87 N -2.93 2.38 -0.02 5.02 5.36 -1.26 -4.06 117.98 122.47 1a8z s PHE 87 Ca 0.24 -1.88 0.03 0.00 -0.96 0.00 0.00 56.93 54.36 1a8z s PHE 87 Cb -0.01 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.91 1a8z s PHE 87 CO 0.08 -0.81 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.42 1a8z s ASP 88 N 1.39 1.28 -0.17 6.13 1.01 -0.08 -1.30 116.67 124.94 1a8z s ASP 88 Ca -0.00 -0.20 -0.12 0.00 0.71 0.00 0.00 52.55 52.94 1a8z s ASP 88 Cb -0.18 -0.32 -0.05 0.00 1.01 0.00 0.00 42.92 43.38 1a8z s ASP 88 CO -0.10 0.08 0.22 -0.63 0.21 0.00 0.00 175.17 174.95 1a8z s ILE 89 N 0.12 5.35 0.14 0.77 1.01 -0.26 -0.04 121.20 128.30 1a8z s ILE 89 Ca -0.02 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.99 1a8z s ILE 89 Cb -0.08 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.80 1a8z s ILE 89 CO 0.00 0.43 0.11 0.28 0.00 0.00 0.00 174.94 175.77 1a8z s THR 90 N 0.25 0.09 -2.48 2.92 -1.32 -0.40 -1.79 115.64 112.91 1a8z s THR 90 Ca 0.13 -1.78 0.21 0.00 -1.21 0.00 0.00 61.69 59.04 1a8z s THR 90 Cb -0.12 -1.99 0.13 0.00 -1.51 0.00 0.00 72.50 69.01 1a8z s THR 90 CO 0.02 -0.43 1.14 0.00 -2.21 0.00 0.00 174.62 173.14 1a8z n GLN 91 N -0.12 1.83 -2.28 7.08 6.02 -1.26 -0.69 117.38 127.96 1a8z n GLN 91 Ca -0.06 -1.59 -0.39 0.00 -0.01 0.00 0.00 57.00 54.95 1a8z n GLN 91 Cb 0.63 -1.40 -0.02 0.00 1.02 0.00 0.00 30.24 30.47 1a8z n GLN 91 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1a8z s LYS 92 N -1.86 4.16 0.24 -1.09 -0.14 -1.26 -4.89 119.74 114.89 1a8z s LYS 92 Ca 0.23 1.90 0.07 0.00 -1.36 0.00 0.00 55.97 56.81 1a8z s LYS 92 Cb 0.17 -2.79 -0.04 0.00 -1.68 0.00 0.00 37.83 33.50 1a8z s LYS 92 CO 0.31 -0.25 0.19 -0.08 -0.76 0.00 0.00 175.35 174.76 1a8z s THR 93 N -1.34 4.45 0.80 2.17 -1.32 -1.26 -4.65 115.64 114.48 1a8z s THR 93 Ca 0.55 -1.37 -0.12 0.00 -1.21 0.00 0.00 61.69 59.54 1a8z s THR 93 Cb -0.32 -3.38 0.07 0.00 -1.51 0.00 0.00 72.50 67.36 1a8z s THR 93 CO 0.41 -0.32 1.10 -2.16 -2.21 0.00 0.00 174.62 171.45 1a8z s PRO 94 N -3.74 2.03 0.35 7.08 0.04 -1.26 -4.55 135.00 134.94 1a8z s PRO 94 Ca 0.33 0.58 -0.27 0.00 0.04 0.00 0.00 61.00 61.68 1a8z s PRO 94 Cb -0.08 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 1a8z s PRO 94 CO 0.25 -1.65 1.14 -1.25 0.04 0.00 0.00 177.00 175.53 1a8z s PRO 95 N -5.19 4.32 0.06 0.56 0.04 -1.26 -5.15 135.00 128.38 1a8z s PRO 95 Ca 0.61 1.83 -0.16 0.00 0.04 0.00 0.00 61.00 63.32 1a8z s PRO 95 Cb -0.14 -2.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.44 1a8z s PRO 95 CO 0.54 -0.08 0.50 -0.06 0.04 0.00 0.00 177.00 177.94 1a8z s PHE 96 N -1.32 3.73 0.88 0.56 0.08 -1.26 -5.08 117.98 115.57 1a8z s PHE 96 Ca 0.51 1.11 -0.12 0.00 0.12 0.00 0.00 56.93 58.56 1a8z s PHE 96 Cb -0.31 -2.38 0.12 0.00 -0.57 0.00 0.00 43.02 39.88 1a8z s PHE 96 CO 0.40 0.57 1.12 0.00 -0.10 0.00 0.00 175.22 177.21 1a8z s ALA 97 N -1.18 1.82 0.24 5.36 0.00 -1.26 -4.07 121.76 122.66 1a8z s ALA 97 Ca 0.29 -0.37 -0.05 0.00 0.00 0.00 0.00 51.96 51.84 1a8z s ALA 97 Cb -0.17 -3.08 0.37 0.00 0.00 0.00 0.00 23.12 20.24 1a8z s ALA 97 CO 0.17 -2.17 1.83 0.28 0.00 0.00 0.00 175.76 175.87 1a8z h VAL 98 N -1.41 0.97 -3.26 0.00 2.07 -1.98 -2.58 116.25 110.06 1a8z h VAL 98 Ca -0.50 -0.30 -0.67 0.00 0.82 0.00 0.00 66.70 66.05 1a8z h VAL 98 Cb 1.31 0.01 -0.38 0.00 -1.52 0.00 0.00 31.29 30.71 1a8z h VAL 98 CO 0.60 0.16 -0.32 -0.04 0.02 0.00 0.00 177.57 177.99 1a8z s MET 99 N -6.04 2.84 0.30 1.57 -1.94 -1.26 -0.50 119.30 114.28 1a8z s MET 99 Ca -0.12 -3.19 -0.29 0.00 -1.71 0.00 0.00 55.69 50.37 1a8z s MET 99 Cb 0.19 -3.71 -0.10 0.00 2.01 0.00 0.00 34.83 33.22 1a8z s MET 99 CO 0.79 -1.25 1.40 -1.25 -0.01 0.00 0.00 175.02 174.69 1a8z s PRO 100 N -1.20 4.28 -0.44 2.03 0.04 -0.97 -4.99 135.00 133.74 1a8z s PRO 100 Ca 0.25 2.32 -0.21 0.00 0.04 0.00 0.00 61.00 63.40 1a8z s PRO 100 Cb -0.09 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.41 1a8z s PRO 100 CO -0.12 -0.35 0.65 0.08 0.04 0.00 0.00 177.00 177.30 1a8z s VAL 101 N -0.65 4.82 0.00 -0.36 1.01 -1.26 -4.86 120.40 119.10 1a8z s VAL 101 Ca 0.54 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1a8z s VAL 101 Cb -0.42 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 31.75 1a8z s VAL 101 CO 0.50 -0.61 0.77 2.30 0.00 0.00 0.00 175.10 178.07 1a8z n ILE 102 N 5.87 0.58 -2.38 2.22 -5.35 -1.26 -4.91 119.36 114.12 1a8z n ILE 102 Ca -0.01 -0.61 -0.40 0.00 -0.27 0.00 0.00 62.75 61.46 1a8z n ILE 102 Cb 0.48 0.75 -0.04 0.00 -1.74 0.00 0.00 39.64 39.09 1a8z n ILE 102 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1a8z s ASP 103 N -0.58 7.08 0.25 7.28 1.01 -1.26 -3.70 116.67 126.75 1a8z s ASP 103 Ca 0.00 2.36 -0.18 0.00 0.71 0.00 0.00 52.55 55.44 1a8z s ASP 103 Cb 0.00 -2.63 -0.08 0.00 1.01 0.00 0.00 42.92 41.22 1a8z s ASP 103 CO 0.00 -0.28 0.72 -2.16 0.21 0.00 0.00 175.17 173.66 1a8z s PRO 104 N -1.62 4.17 -0.30 8.23 0.04 -1.26 -4.94 135.00 139.31 1a8z s PRO 104 Ca 0.47 0.80 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 1a8z s PRO 104 Cb -0.33 -2.76 -0.00 0.00 0.04 0.00 0.00 34.50 31.45 1a8z s PRO 104 CO 0.43 0.33 0.72 0.42 0.04 0.00 0.00 177.00 178.95 1a8z s ILE 105 N -1.65 4.86 0.15 0.56 1.01 -1.24 -4.51 121.20 120.37 1a8z s ILE 105 Ca 0.46 1.08 0.14 0.00 0.00 0.00 0.00 60.65 62.33 1a8z s ILE 105 Cb -0.15 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.28 1a8z s ILE 105 CO 0.20 -0.19 1.61 -0.37 0.00 0.00 0.00 174.94 176.19 1a8z h VAL 106 N 5.56 1.14 -1.61 2.92 -1.51 -1.69 -3.46 116.25 117.61 1a8z h VAL 106 Ca -0.25 -2.00 0.06 0.00 -1.23 0.00 0.00 66.70 63.29 1a8z h VAL 106 Cb 1.11 2.15 -0.24 0.00 -2.13 0.00 0.00 31.29 32.18 1a8z h VAL 106 CO 0.85 0.52 0.49 0.00 -1.23 0.00 0.00 177.57 178.20 1a8z s ALA 107 N -3.43 -1.93 0.00 5.19 0.00 -1.25 -5.05 121.76 115.28 1a8z s ALA 107 Ca 0.00 1.66 0.00 0.00 0.00 0.00 0.00 51.96 53.63 1a8z s ALA 107 Cb 0.11 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1a8z s ALA 107 CO 0.73 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1a8z n GLY 108 N 1.22 -1.59 3.43 0.00 0.00 -1.26 -1.10 105.19 105.89 1a8z n GLY 108 Ca -0.12 -1.07 -0.27 0.00 0.00 0.00 0.00 46.02 44.56 1a8z n GLY 108 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a8z s THR 109 N -2.59 2.40 0.00 2.61 2.01 -0.42 -0.98 115.64 118.66 1a8z s THR 109 Ca 0.00 -2.04 0.00 0.00 0.31 0.00 0.00 61.69 59.96 1a8z s THR 109 Cb 0.00 -2.16 0.00 0.00 0.01 0.00 0.00 72.50 70.35 1a8z s THR 109 CO 0.00 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 1a8z n GLY 110 N 0.21 -0.57 3.72 4.40 0.00 0.68 -4.44 105.19 109.18 1a8z n GLY 110 Ca -0.12 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.75 1a8z n GLY 110 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a8z s PHE 111 N -0.47 3.44 0.65 1.61 0.08 -1.26 -4.50 117.98 117.53 1a8z s PHE 111 Ca 0.00 1.33 -0.11 0.00 0.12 0.00 0.00 56.93 58.27 1a8z s PHE 111 Cb 0.00 -3.42 -0.02 0.00 -0.57 0.00 0.00 43.02 39.01 1a8z s PHE 111 CO 0.00 -1.27 1.04 -1.54 -0.10 0.00 0.00 175.22 173.36 1a8z s SER 112 N 0.76 5.80 0.51 1.36 1.04 -0.51 -4.98 113.70 117.69 1a8z s SER 112 Ca 0.57 1.54 -0.20 0.00 0.48 0.00 0.00 55.95 58.34 1a8z s SER 112 Cb -0.31 -2.49 -0.07 0.00 0.10 0.00 0.00 66.02 63.26 1a8z s SER 112 CO 0.31 -1.16 1.07 -2.16 0.98 0.00 0.00 173.24 172.29 1a8z s PRO 113 N -5.02 3.60 0.46 4.02 0.04 -1.26 -4.30 135.00 132.54 1a8z s PRO 113 Ca 0.57 1.43 -0.21 0.00 0.04 0.00 0.00 61.00 62.84 1a8z s PRO 113 Cb -0.13 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.26 1a8z s PRO 113 CO 0.53 -0.61 1.01 0.14 0.04 0.00 0.00 177.00 178.11 1a8z s VAL 114 N -1.95 3.95 0.37 -0.36 -7.23 -1.26 -4.49 120.40 109.43 1a8z s VAL 114 Ca 0.69 1.24 -0.27 0.00 -1.81 0.00 0.00 61.98 61.82 1a8z s VAL 114 Cb -0.19 -3.51 -0.11 0.00 0.56 0.00 0.00 36.38 33.13 1a8z s VAL 114 CO 0.24 -0.24 1.26 -2.65 -0.31 0.00 0.00 175.10 173.40 1a8z n PRO 115 N -0.81 2.00 -3.55 4.82 -0.02 -1.26 -4.77 135.00 131.42 1a8z n PRO 115 Ca 0.08 0.71 -0.15 0.00 -2.02 0.00 0.00 63.50 62.12 1a8z n PRO 115 Cb 0.53 -2.32 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 1a8z n PRO 115 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1a8z s LYS 116 N -1.98 0.89 -1.41 -0.52 2.20 -0.51 -4.79 119.74 113.63 1a8z s LYS 116 Ca 0.58 0.29 -0.06 0.00 -0.36 0.00 0.00 55.97 56.41 1a8z s LYS 116 Cb -0.55 0.42 0.03 0.00 -1.51 0.00 0.00 37.83 36.22 1a8z s LYS 116 CO 0.61 -0.26 0.50 -0.25 -0.36 0.00 0.00 175.35 175.58 1a8z n ASP 117 N 1.01 -4.91 -0.39 1.43 8.00 -1.26 -1.34 116.55 119.09 1a8z n ASP 117 Ca -0.16 -0.29 -0.05 0.00 0.71 0.00 0.00 54.79 55.00 1a8z n ASP 117 Cb 0.57 -4.02 -0.02 0.00 -0.02 0.00 0.00 41.12 37.63 1a8z n ASP 117 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a8z n GLY 118 N -1.31 0.77 3.37 0.44 0.00 -1.26 -5.03 105.19 102.17 1a8z n GLY 118 Ca -0.08 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.08 1a8z n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a8z s LYS 119 N -2.23 1.43 -0.01 1.61 1.02 -0.45 -4.37 119.74 116.74 1a8z s LYS 119 Ca 0.00 -1.74 0.03 0.00 0.02 0.00 0.00 55.97 54.28 1a8z s LYS 119 Cb 0.00 -0.76 -0.00 0.00 -0.52 0.00 0.00 37.83 36.55 1a8z s LYS 119 CO 0.00 -0.09 -0.09 -0.06 -0.92 0.00 0.00 175.35 174.19 1a8z s PHE 120 N -3.33 0.82 0.24 3.18 0.40 0.11 -1.42 117.98 117.99 1a8z s PHE 120 Ca 0.30 -0.17 -0.26 0.00 -0.60 0.00 0.00 56.93 56.20 1a8z s PHE 120 Cb 0.06 -0.56 -0.09 0.00 0.51 0.00 0.00 43.02 42.94 1a8z s PHE 120 CO 0.11 -0.04 0.87 0.20 0.70 0.00 0.00 175.22 177.05 1a8z s GLY 121 N -0.04 2.91 0.11 4.36 0.00 -1.26 -1.29 107.32 112.11 1a8z s GLY 121 Ca 0.01 0.47 -0.09 0.00 0.00 0.00 0.00 44.72 45.11 1a8z s GLY 121 CO -0.00 0.95 0.22 -2.52 0.00 0.00 0.00 173.10 171.75 1a8z s TYR 122 N -1.34 0.21 0.11 1.90 1.13 -0.20 -1.54 117.35 117.63 1a8z s TYR 122 Ca 0.42 -0.62 -0.11 0.00 -1.41 0.00 0.00 57.07 55.35 1a8z s TYR 122 Cb -0.22 -0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.60 1a8z s TYR 122 CO 0.27 -0.59 0.28 -0.08 -2.51 0.00 0.00 175.55 172.92 1a8z s THR 123 N -3.89 0.10 -0.03 -3.49 -1.32 -0.12 -1.33 115.64 105.56 1a8z s THR 123 Ca 0.08 -0.99 0.06 0.00 -1.21 0.00 0.00 61.69 59.63 1a8z s THR 123 Cb 0.04 -1.35 -0.01 0.00 -1.51 0.00 0.00 72.50 69.67 1a8z s THR 123 CO -0.08 -0.48 -0.20 0.20 -2.21 0.00 0.00 174.62 171.85 1a8z s ASN 124 N -2.86 2.42 0.03 8.08 -0.87 -1.26 -0.97 114.94 119.52 1a8z s ASN 124 Ca 0.06 -0.38 -0.07 0.00 -1.57 0.00 0.00 52.86 50.89 1a8z s ASN 124 Cb 0.03 -0.43 -0.00 0.00 -0.02 0.00 0.00 41.25 40.83 1a8z s ASN 124 CO -0.10 0.22 0.14 0.72 -2.57 0.00 0.00 177.10 175.52 1a8z s PHE 125 N -0.30 0.11 0.07 2.20 -0.12 -0.06 -5.00 117.98 114.89 1a8z s PHE 125 Ca 0.03 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 1a8z s PHE 125 Cb -0.10 -0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1a8z s PHE 125 CO 0.01 -0.37 0.10 -0.08 -0.05 0.00 0.00 175.22 174.82 1a8z s THR 126 N -2.33 4.66 -0.04 -4.49 -1.32 -1.26 -0.83 115.64 110.02 1a8z s THR 126 Ca -0.07 -0.69 -0.04 0.00 -1.21 0.00 0.00 61.69 59.68 1a8z s THR 126 Cb -0.02 -3.24 0.01 0.00 -1.51 0.00 0.00 72.50 67.74 1a8z s THR 126 CO -0.03 0.15 0.12 0.86 -2.21 0.00 0.00 174.62 173.50 1a8z s TRP 127 N -1.39 -0.13 -0.54 9.09 -0.00 0.12 -4.98 118.94 121.11 1a8z s TRP 127 Ca 0.29 0.32 0.04 0.00 -0.00 0.00 0.00 56.10 56.75 1a8z s TRP 127 Cb -0.12 0.03 0.15 0.00 -0.00 0.00 0.00 33.47 33.53 1a8z s TRP 127 CO 0.22 -0.07 0.35 -1.01 -0.00 0.00 0.00 176.95 176.44 1a8z s HIS 128 N 0.16 2.62 0.62 5.86 3.76 -1.26 -0.59 115.29 126.45 1a8z s HIS 128 Ca -0.01 -2.87 -0.14 0.00 -0.15 0.00 0.00 55.06 51.90 1a8z s HIS 128 Cb -0.02 -2.19 -0.03 0.00 1.11 0.00 0.00 32.58 31.45 1a8z s HIS 128 CO -0.00 -0.70 1.04 -1.25 -0.85 0.00 0.00 174.74 172.98 1a8z s PRO 129 N -0.44 3.32 0.06 8.40 0.04 -1.26 -5.07 135.00 140.05 1a8z s PRO 129 Ca 0.22 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.30 1a8z s PRO 129 Cb -0.13 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 1a8z s PRO 129 CO -0.09 -0.80 0.14 0.99 0.04 0.00 0.00 177.00 177.29 1a8z s THR 130 N -2.77 5.00 0.66 1.26 2.01 -1.26 -4.23 115.64 116.31 1a8z s THR 130 Ca 0.60 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 1a8z s THR 130 Cb -0.14 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 68.89 1a8z s THR 130 CO 0.44 0.17 0.29 0.00 -0.69 0.00 0.00 174.62 174.83 1a8z n ALA 131 N 0.48 -2.06 0.00 7.40 0.00 -1.26 -4.84 120.51 120.23 1a8z n ALA 131 Ca -0.08 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1a8z n ALA 131 Cb 0.51 -1.70 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1a8z n ALA 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a8z n GLY 132 N 2.00 0.89 3.53 0.00 0.00 0.75 -4.96 105.19 107.40 1a8z n GLY 132 Ca 0.09 -2.09 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1a8z n GLY 132 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a8z s THR 133 N -1.06 3.37 0.45 2.61 -4.23 -1.26 -0.80 115.64 114.71 1a8z s THR 133 Ca 0.00 -0.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1a8z s THR 133 Cb 0.00 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.47 1a8z s THR 133 CO 0.00 0.59 0.10 -0.31 -0.54 0.00 0.00 174.62 174.46 1a8z s TYR 134 N -0.77 1.79 -0.03 3.99 1.51 0.18 -4.77 117.35 119.24 1a8z s TYR 134 Ca 0.12 -1.23 -0.02 0.00 -1.01 0.00 0.00 57.07 54.94 1a8z s TYR 134 Cb -0.11 -1.28 0.02 0.00 -0.11 0.00 0.00 41.96 40.48 1a8z s TYR 134 CO 0.01 -0.18 0.07 0.71 -1.11 0.00 0.00 175.55 175.06 1a8z s TYR 135 N -3.10 -0.07 -0.15 2.71 2.02 0.13 -1.28 117.35 117.62 1a8z s TYR 135 Ca 0.17 0.24 -0.09 0.00 -0.37 0.00 0.00 57.07 57.02 1a8z s TYR 135 Cb 0.01 -0.08 -0.05 0.00 -0.40 0.00 0.00 41.96 41.45 1a8z s TYR 135 CO 0.11 -0.08 0.16 1.52 -1.57 0.00 0.00 175.55 175.68 1a8z s TYR 136 N 0.61 3.51 0.13 2.71 1.13 -0.59 -1.28 117.35 123.58 1a8z s TYR 136 Ca -0.05 0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 56.05 1a8z s TYR 136 Cb -0.07 -2.07 -0.03 0.00 -1.10 0.00 0.00 41.96 38.69 1a8z s TYR 136 CO -0.02 0.51 0.09 0.14 -2.51 0.00 0.00 175.55 173.76 1a8z s VAL 137 N -0.34 0.10 -0.11 -3.49 -7.23 0.95 -1.69 120.40 108.59 1a8z s VAL 137 Ca 0.12 -1.81 -0.04 0.00 -1.81 0.00 0.00 61.98 58.44 1a8z s VAL 137 Cb -0.12 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1a8z s VAL 137 CO 0.02 -0.47 0.05 0.00 -0.31 0.00 0.00 175.10 174.38 1a8z n GLN 139 N 2.32 1.04 -1.98 0.00 6.02 -1.26 -4.02 117.38 119.49 1a8z n GLN 139 Ca -0.19 -0.55 -0.42 0.00 -0.01 0.00 0.00 57.00 55.83 1a8z n GLN 139 Cb 0.54 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 30.28 1a8z n GLN 139 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1a8z s ILE 140 N -2.34 3.05 -0.26 5.09 1.01 -1.26 -4.85 121.20 121.64 1a8z s ILE 140 Ca 0.30 0.59 -0.43 0.00 0.00 0.00 0.00 60.65 61.11 1a8z s ILE 140 Cb 0.20 -3.38 -0.19 0.00 0.01 0.00 0.00 42.46 39.11 1a8z s ILE 140 CO 0.46 0.01 1.47 -2.65 0.00 0.00 0.00 174.94 174.23 1a8z n PRO 141 N 5.11 0.39 0.00 2.79 -0.02 -1.26 -1.31 135.00 140.70 1a8z n PRO 141 Ca 0.15 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1a8z n PRO 141 Cb 0.41 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 1a8z n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a8z n GLY 142 N 3.26 3.09 0.13 -1.23 0.00 0.35 -4.92 105.19 105.86 1a8z n GLY 142 Ca 0.26 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 1a8z n GLY 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1a8z h HIS 143 N 0.00 0.39 -0.40 1.61 3.86 -1.48 -1.99 115.15 117.13 1a8z h HIS 143 Ca 0.00 -0.10 -0.10 0.00 -1.16 0.00 0.00 60.37 59.01 1a8z h HIS 143 Cb 0.00 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.37 1a8z h HIS 143 CO 0.00 0.68 -0.15 0.00 0.86 0.00 0.00 177.93 179.32 1a8z h ALA 144 N 0.65 0.98 -0.29 2.45 0.00 -1.75 0.60 119.26 121.88 1a8z h ALA 144 Ca 0.03 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1a8z h ALA 144 Cb 0.59 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1a8z h ALA 144 CO 0.03 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.93 1a8z h ALA 145 N 1.16 1.55 -0.47 0.00 0.00 -1.69 -0.85 119.26 118.95 1a8z h ALA 145 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a8z h ALA 145 Cb 0.63 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1a8z h ALA 145 CO 0.04 0.34 0.00 0.25 0.00 0.00 0.00 179.25 179.88 1a8z n THR 146 N -4.35 1.36 0.00 0.00 -2.24 -0.75 -4.87 114.28 103.42 1a8z n THR 146 Ca 0.01 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 1a8z n THR 146 Cb 0.18 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.41 1a8z n THR 146 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1a8z n GLY 147 N 0.88 0.72 3.24 3.38 0.00 -0.32 -4.75 105.19 108.34 1a8z n GLY 147 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1a8z n GLY 147 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a8z n MET 148 N -1.09 3.19 -3.49 1.61 0.00 0.16 -4.84 117.12 112.66 1a8z n MET 148 Ca 0.00 -3.24 -0.10 0.00 0.00 0.00 0.00 57.70 54.36 1a8z n MET 148 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 33.22 29.91 1a8z n MET 148 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1a8z s PHE 149 N 2.98 -0.43 0.19 1.12 -0.71 -1.26 -2.98 117.98 116.90 1a8z s PHE 149 Ca 0.48 0.36 -0.04 0.00 -1.04 0.00 0.00 56.93 56.69 1a8z s PHE 149 Cb 0.06 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1a8z s PHE 149 CO 0.01 -0.62 0.20 0.20 -1.34 0.00 0.00 175.22 173.68 1a8z s GLY 150 N -2.32 1.04 0.04 1.99 0.00 -0.68 -4.84 107.32 102.54 1a8z s GLY 150 Ca 0.02 -1.38 0.00 0.00 0.00 0.00 0.00 44.72 43.36 1a8z s GLY 150 CO -0.08 -1.16 0.13 1.25 0.00 0.00 0.00 173.10 173.24 1a8z s LYS 151 N -4.08 3.17 -0.10 2.90 2.20 -1.26 -1.55 119.74 121.02 1a8z s LYS 151 Ca 0.30 -0.51 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1a8z s LYS 151 Cb 0.05 -2.91 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 1a8z s LYS 151 CO 0.08 0.62 -0.13 0.42 -0.36 0.00 0.00 175.35 175.97 1a8z s ILE 152 N -1.36 1.35 -0.28 5.43 1.01 -0.40 -0.40 121.20 126.55 1a8z s ILE 152 Ca 0.29 -0.55 -0.03 0.00 0.00 0.00 0.00 60.65 60.36 1a8z s ILE 152 Cb -0.12 -1.25 0.03 0.00 0.01 0.00 0.00 42.46 41.12 1a8z s ILE 152 CO 0.21 0.41 -0.00 -0.69 0.00 0.00 0.00 174.94 174.86 1a8z s VAL 153 N 1.06 3.21 -0.36 2.92 1.01 0.48 -0.65 120.40 128.07 1a8z s VAL 153 Ca -0.06 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1a8z s VAL 153 Cb -0.15 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.55 1a8z s VAL 153 CO -0.02 0.08 0.22 -0.69 0.00 0.00 0.00 175.10 174.69 1a8z s VAL 154 N 1.35 4.88 0.00 2.92 1.01 0.02 -1.02 120.40 129.57 1a8z s VAL 154 Ca -0.01 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1a8z s VAL 154 Cb -0.18 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.58 1a8z s VAL 154 CO -0.02 -0.14 0.01 0.29 0.00 0.00 0.00 175.10 175.24