#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh8 s SER 2 N 0.00 0.43 0.35 1.61 1.04 -1.26 -5.20 113.70 110.67 1wh8 s SER 2 Ca 0.00 -1.27 -0.10 0.00 0.48 0.00 0.00 55.95 55.06 1wh8 s SER 2 Cb 0.00 0.74 0.02 0.00 0.10 0.00 0.00 66.02 66.89 1wh8 s SER 2 CO 0.00 -1.46 0.62 -0.55 0.98 0.00 0.00 173.24 172.83 1wh8 s SER 3 N -3.14 0.40 0.00 7.02 0.15 -1.26 -5.17 113.70 111.70 1wh8 s SER 3 Ca 0.23 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.62 1wh8 s SER 3 Cb -0.03 0.74 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1wh8 s SER 3 CO 0.15 -1.45 0.00 0.61 1.20 0.00 0.00 173.24 173.75 1wh8 n GLY 4 N -0.53 3.00 3.83 9.45 0.00 -1.26 -5.18 105.19 114.51 1wh8 n GLY 4 Ca -0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 46.02 44.38 1wh8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh8 s SER 5 N 0.00 -0.20 0.15 1.61 0.15 -1.26 -5.20 113.70 108.95 1wh8 s SER 5 Ca 0.00 -0.64 -0.12 0.00 0.70 0.00 0.00 55.95 55.89 1wh8 s SER 5 Cb 0.00 0.69 0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1wh8 s SER 5 CO 0.00 -1.28 0.60 -0.24 1.20 0.00 0.00 173.24 173.51 1wh8 n SER 6 N -0.61 -1.18 0.00 5.45 2.88 -1.26 -5.17 113.62 113.73 1wh8 n SER 6 Ca -0.05 -1.69 0.00 0.00 -1.33 0.00 0.00 58.87 55.80 1wh8 n SER 6 Cb 0.59 1.93 0.00 0.00 -0.75 0.00 0.00 64.21 65.98 1wh8 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh8 n GLY 7 N -0.41 -1.36 3.05 0.46 0.00 -1.26 -5.04 105.19 100.63 1wh8 n GLY 7 Ca -0.03 -1.70 -0.14 0.00 0.00 0.00 0.00 46.02 44.16 1wh8 n GLY 7 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1wh8 n TYR 8 N 0.00 -2.03 0.00 1.61 4.02 -1.26 -5.01 117.16 114.49 1wh8 n TYR 8 Ca 0.00 0.77 0.00 0.00 -0.01 0.00 0.00 57.90 58.66 1wh8 n TYR 8 Cb 0.00 -4.22 0.00 0.00 -0.02 0.00 0.00 39.34 35.10 1wh8 n TYR 8 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1wh8 n SER 9 N -2.93 0.00 0.00 7.72 7.64 -1.26 -4.99 113.62 119.80 1wh8 n SER 9 Ca -0.14 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.43 1wh8 n SER 9 Cb 0.62 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 1wh8 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh8 n GLY 10 N 0.53 1.11 4.56 0.23 0.00 -1.26 -5.06 105.19 105.31 1wh8 n GLY 10 Ca 0.00 -0.76 0.08 0.00 0.00 0.00 0.00 46.02 45.34 1wh8 n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh8 n SER 11 N 3.38 -6.58 -1.29 1.61 7.64 -1.26 -5.06 113.62 112.06 1wh8 n SER 11 Ca 0.00 0.63 0.16 0.00 1.01 0.00 0.00 58.87 60.67 1wh8 n SER 11 Cb 0.00 -1.78 -0.08 0.00 -1.01 0.00 0.00 64.21 61.35 1wh8 n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh8 n GLN 12 N -2.76 -2.92 -3.87 1.43 1.13 -1.26 -5.07 117.38 104.06 1wh8 n GLN 12 Ca 0.00 2.32 -0.11 0.00 -1.94 0.00 0.00 57.00 57.27 1wh8 n GLN 12 Cb 0.27 -3.43 -0.09 0.00 0.11 0.00 0.00 30.24 27.09 1wh8 n GLN 12 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1wh8 s ALA 13 N -3.79 -0.31 -0.14 -1.58 0.00 -1.26 -5.07 121.76 109.61 1wh8 s ALA 13 Ca 0.00 -0.23 0.16 0.00 0.00 0.00 0.00 51.96 51.90 1wh8 s ALA 13 Cb 0.00 0.17 0.16 0.00 0.00 0.00 0.00 23.12 23.45 1wh8 s ALA 13 CO 0.00 -0.27 1.49 -1.00 0.00 0.00 0.00 175.76 175.98 1wh8 h PRO 14 N 3.95 0.00 -4.80 0.00 0.13 -2.07 -3.49 132.00 125.72 1wh8 h PRO 14 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wh8 h PRO 14 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wh8 h PRO 14 CO 0.44 0.45 -0.44 0.41 -0.23 0.00 0.00 178.00 178.63 1wh8 n GLY 15 N 1.12 -1.49 3.61 1.56 0.00 -1.26 -4.90 105.19 103.82 1wh8 n GLY 15 Ca 0.02 0.92 -0.51 0.00 0.00 0.00 0.00 46.02 46.45 1wh8 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh8 n GLY 16 N -0.25 0.62 0.38 -0.02 0.00 -1.26 -4.75 105.19 99.91 1wh8 n GLY 16 Ca 0.09 0.70 0.16 0.00 0.00 0.00 0.00 46.02 46.97 1wh8 n GLY 16 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1wh8 h ILE 17 N 3.48 0.69 -0.90 -0.61 6.09 -2.00 -0.66 117.51 123.60 1wh8 h ILE 17 Ca -0.47 -0.21 0.15 0.00 -1.37 0.00 0.00 64.86 62.96 1wh8 h ILE 17 Cb 1.32 0.03 -0.09 0.00 0.47 0.00 0.00 36.82 38.54 1wh8 h ILE 17 CO 0.81 0.11 0.50 1.56 -3.07 0.00 0.00 178.15 178.05 1wh8 h GLN 18 N 0.61 0.68 0.28 2.19 4.20 -1.96 -0.50 115.11 120.60 1wh8 h GLN 18 Ca 0.54 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.19 1wh8 h GLN 18 Cb 1.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.68 1wh8 h GLN 18 CO -0.29 0.45 -0.13 1.49 -0.67 0.00 0.00 178.83 179.67 1wh8 h GLU 19 N 0.70 -0.36 -0.60 1.46 4.81 -1.45 -1.04 114.58 118.09 1wh8 h GLU 19 Ca 0.49 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.77 1wh8 h GLU 19 Cb 0.67 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.10 1wh8 h GLU 19 CO -0.35 -0.08 0.40 0.82 -0.73 0.00 0.00 179.01 179.07 1wh8 h ILE 20 N -0.64 1.10 -0.24 2.32 1.08 -1.54 0.75 117.51 120.34 1wh8 h ILE 20 Ca -0.04 -0.25 -0.10 0.00 -0.39 0.00 0.00 64.86 64.08 1wh8 h ILE 20 Cb 0.45 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.49 1wh8 h ILE 20 CO 0.06 0.13 -0.27 0.58 -0.69 0.00 0.00 178.15 177.97 1wh8 h VAL 21 N 0.74 1.27 -0.42 1.67 2.07 -0.99 -0.90 116.25 119.68 1wh8 h VAL 21 Ca 0.24 -1.29 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 1wh8 h VAL 21 Cb 0.04 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1wh8 h VAL 21 CO -0.06 0.41 0.10 0.00 0.02 0.00 0.00 177.57 178.03 1wh8 h ALA 22 N 1.32 0.56 0.00 1.67 0.00 0.49 -2.57 119.26 120.72 1wh8 h ALA 22 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wh8 h ALA 22 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1wh8 h ALA 22 CO 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 179.25 179.52 1wh8 n MET 23 N -4.53 0.11 -2.13 0.00 3.85 -0.70 -4.93 117.12 108.78 1wh8 n MET 23 Ca 0.00 0.09 -0.41 0.00 -1.00 0.00 0.00 57.70 56.38 1wh8 n MET 23 Cb 0.21 -1.63 -0.02 0.00 -1.05 0.00 0.00 33.22 30.73 1wh8 n MET 23 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1wh8 s SER 24 N -3.65 6.80 1.33 3.17 0.01 -0.35 -5.02 113.70 115.99 1wh8 s SER 24 Ca 0.12 2.62 -0.21 0.00 1.31 0.00 0.00 55.95 59.79 1wh8 s SER 24 Cb 0.16 -2.64 0.33 0.00 0.21 0.00 0.00 66.02 64.09 1wh8 s SER 24 CO 0.56 -0.54 1.00 -2.16 0.41 0.00 0.00 173.24 172.52 1wh8 s PRO 25 N -1.24 -2.24 -1.07 12.44 0.04 -1.26 -4.86 135.00 136.80 1wh8 s PRO 25 Ca 0.52 0.07 -0.24 0.00 0.04 0.00 0.00 61.00 61.39 1wh8 s PRO 25 Cb -0.39 -1.46 -0.10 0.00 0.04 0.00 0.00 34.50 32.59 1wh8 s PRO 25 CO 0.48 -4.41 1.99 -2.00 0.04 0.00 0.00 177.00 173.10 1wh8 s GLU 26 N -5.19 2.29 0.27 4.56 2.12 -1.26 -4.94 118.70 116.55 1wh8 s GLU 26 Ca 0.70 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.98 1wh8 s GLU 26 Cb -0.12 -5.13 -0.11 0.00 0.26 0.00 0.00 34.13 29.03 1wh8 s GLU 26 CO 0.57 -4.05 1.52 -0.51 -0.54 0.00 0.00 175.26 172.26 1wh8 s LEU 27 N 11.77 4.36 -1.04 2.70 1.02 -1.26 -4.89 118.68 131.34 1wh8 s LEU 27 Ca 0.72 2.82 -0.23 0.00 0.02 0.00 0.00 54.13 57.46 1wh8 s LEU 27 Cb -0.04 -3.63 0.01 0.00 0.02 0.00 0.00 46.19 42.56 1wh8 s LEU 27 CO 0.10 -0.82 1.69 -1.81 0.02 0.00 0.00 176.35 175.53 1wh8 s ASP 28 N 0.44 6.01 0.18 2.29 1.11 -1.26 -4.50 116.67 120.93 1wh8 s ASP 28 Ca 0.61 -1.39 -0.16 0.00 0.18 0.00 0.00 52.55 51.80 1wh8 s ASP 28 Cb -0.45 -2.57 0.14 0.00 1.07 0.00 0.00 42.92 41.11 1wh8 s ASP 28 CO 0.46 -1.98 1.67 0.71 1.18 0.00 0.00 175.17 177.21 1wh8 h THR 29 N 6.69 0.59 0.18 -1.27 1.35 -1.90 0.68 112.91 119.23 1wh8 h THR 29 Ca 0.21 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1wh8 h THR 29 Cb 0.98 0.54 -0.03 0.00 -1.73 0.00 0.00 68.15 67.92 1wh8 h THR 29 CO 1.35 0.01 -0.36 0.22 -0.25 0.00 0.00 175.52 176.48 1wh8 h TYR 30 N 0.04 -1.03 -0.46 4.73 3.20 -1.87 0.24 116.97 121.81 1wh8 h TYR 30 Ca 0.22 0.02 0.09 0.00 3.14 0.00 0.00 58.73 62.20 1wh8 h TYR 30 Cb 0.34 0.43 -0.10 0.00 1.54 0.00 0.00 36.73 38.93 1wh8 h TYR 30 CO -0.35 -0.43 -0.26 1.03 -1.64 0.00 0.00 178.16 176.50 1wh8 h SER 31 N -0.59 -0.89 -0.26 -2.11 0.87 -1.85 -1.35 113.55 107.37 1wh8 h SER 31 Ca -0.02 0.19 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1wh8 h SER 31 Cb 0.56 0.46 -0.05 0.00 -0.44 0.00 0.00 62.40 62.92 1wh8 h SER 31 CO -0.14 -0.28 -0.07 0.40 -0.53 0.00 0.00 176.83 176.21 1wh8 h ILE 32 N -0.17 0.74 -0.97 2.23 2.04 -0.69 0.21 117.51 120.91 1wh8 h ILE 32 Ca 0.21 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.13 1wh8 h ILE 32 Cb 0.50 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.25 1wh8 h ILE 32 CO -0.56 0.00 0.62 0.71 0.00 0.00 0.00 178.15 178.92 1wh8 h THR 33 N -0.00 1.08 0.58 -0.27 1.35 0.11 0.19 112.91 115.95 1wh8 h THR 33 Ca 0.12 -0.39 -0.03 0.00 -0.55 0.00 0.00 66.41 65.57 1wh8 h THR 33 Cb 0.19 -0.15 0.01 0.00 -1.73 0.00 0.00 68.15 66.47 1wh8 h THR 33 CO -0.27 0.21 -0.28 0.11 -0.25 0.00 0.00 175.52 175.04 1wh8 h LYS 34 N 1.13 -0.75 -0.99 4.72 1.57 -0.45 -0.30 116.57 121.50 1wh8 h LYS 34 Ca 0.41 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.41 1wh8 h LYS 34 Cb 0.15 0.17 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 1wh8 h LYS 34 CO -0.17 -0.44 0.62 -0.09 -0.57 0.00 0.00 179.45 178.80 1wh8 h ARG 35 N -0.99 0.78 0.83 3.15 1.12 -0.12 0.74 114.38 119.89 1wh8 h ARG 35 Ca -0.08 -0.05 -0.04 0.00 -1.11 0.00 0.00 59.98 58.70 1wh8 h ARG 35 Cb 0.66 -0.18 0.01 0.00 -0.01 0.00 0.00 29.97 30.45 1wh8 h ARG 35 CO 0.13 0.52 -0.40 0.28 -3.11 0.00 0.00 179.97 177.39 1wh8 h VAL 36 N 0.80 0.00 -0.60 0.20 2.07 -0.63 -3.00 116.25 115.09 1wh8 h VAL 36 Ca 0.53 -0.17 0.11 0.00 0.82 0.00 0.00 66.70 67.99 1wh8 h VAL 36 Cb 0.77 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.46 1wh8 h VAL 36 CO -0.31 0.00 0.16 0.11 0.02 0.00 0.00 177.57 177.56 1wh8 h LYS 37 N -1.28 0.30 -0.21 1.57 1.57 0.67 -0.33 116.57 118.85 1wh8 h LYS 37 Ca -0.11 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1wh8 h LYS 37 Cb 0.85 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 1wh8 h LYS 37 CO 0.19 0.20 -0.01 0.93 -0.57 0.00 0.00 179.45 180.19 1wh8 h GLU 38 N 0.31 0.05 -0.75 3.15 4.39 -1.02 0.69 114.58 121.41 1wh8 h GLU 38 Ca 0.31 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.99 1wh8 h GLU 38 Cb 0.44 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1wh8 h GLU 38 CO -0.37 0.04 0.40 0.28 -1.16 0.00 0.00 179.01 178.20 1wh8 h VAL 39 N 0.06 1.23 -0.30 3.13 2.07 -1.17 0.02 116.25 121.29 1wh8 h VAL 39 Ca 0.10 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1wh8 h VAL 39 Cb 0.13 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1wh8 h VAL 39 CO -0.17 0.25 0.16 -0.07 0.02 0.00 0.00 177.57 177.76 1wh8 h LEU 40 N 1.03 0.37 0.10 2.57 3.38 -0.56 -2.37 115.31 119.83 1wh8 h LEU 40 Ca 0.26 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wh8 h LEU 40 Cb 0.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1wh8 h LEU 40 CO -0.04 0.36 -0.05 0.74 0.09 0.00 0.00 178.44 179.54 1wh8 h THR 41 N 0.36 0.92 -0.45 0.22 2.02 -0.58 0.58 112.91 115.98 1wh8 h THR 41 Ca 0.10 -0.08 0.09 0.00 0.77 0.00 0.00 66.41 67.29 1wh8 h THR 41 Cb 0.07 0.97 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 1wh8 h THR 41 CO -0.02 0.02 -0.06 0.44 0.37 0.00 0.00 175.52 176.27 1wh8 h ASP 42 N -0.17 -0.32 -0.28 4.18 3.32 -0.93 -1.92 116.42 120.30 1wh8 h ASP 42 Ca -0.01 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1wh8 h ASP 42 Cb 0.14 0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1wh8 h ASP 42 CO 0.02 -0.11 0.00 0.59 -1.72 0.00 0.00 179.24 178.02 1wh8 n ASN 43 N -5.28 1.84 -4.08 6.45 3.02 -0.90 -4.92 115.26 111.38 1wh8 n ASN 43 Ca 0.04 -1.87 -0.32 0.00 -0.03 0.00 0.00 54.58 52.39 1wh8 n ASN 43 Cb 0.24 -0.18 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 1wh8 n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wh8 n ASN 44 N 0.47 -3.11 -4.72 6.41 3.02 -0.72 -4.96 115.26 111.66 1wh8 n ASN 44 Ca 0.14 -0.95 -0.40 0.00 -0.03 0.00 0.00 54.58 53.35 1wh8 n ASN 44 Cb 0.32 -3.14 -0.05 0.00 -0.61 0.00 0.00 39.78 36.31 1wh8 n ASN 44 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1wh8 s LEU 45 N -7.21 4.33 0.09 3.41 1.43 0.11 -5.03 118.68 115.81 1wh8 s LEU 45 Ca 0.57 1.23 -0.31 0.00 -1.03 0.00 0.00 54.13 54.59 1wh8 s LEU 45 Cb -0.30 -3.12 -0.09 0.00 0.03 0.00 0.00 46.19 42.71 1wh8 s LEU 45 CO 0.89 -0.12 1.73 -0.83 0.23 0.00 0.00 176.35 178.26 1wh8 s GLY 46 N 0.78 1.47 0.29 -3.19 0.00 -1.26 -4.66 107.32 100.74 1wh8 s GLY 46 Ca 0.39 1.30 0.04 0.00 0.00 0.00 0.00 44.72 46.44 1wh8 s GLY 46 CO 0.19 3.02 1.75 1.46 0.00 0.00 0.00 173.10 179.52 1wh8 h GLN 47 N 8.55 0.61 -0.50 2.90 4.20 -1.96 -1.98 115.11 126.94 1wh8 h GLN 47 Ca -0.44 -0.04 0.09 0.00 0.06 0.00 0.00 58.65 58.32 1wh8 h GLN 47 Cb 1.21 -0.14 -0.08 0.00 0.30 0.00 0.00 27.48 28.77 1wh8 h GLN 47 CO 0.94 0.41 0.06 -0.09 -0.67 0.00 0.00 178.83 179.47 1wh8 h ARG 48 N 0.63 0.18 0.28 1.46 2.43 -1.90 -2.48 114.38 114.98 1wh8 h ARG 48 Ca 0.55 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.70 1wh8 h ARG 48 Cb 0.88 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.39 1wh8 h ARG 48 CO -0.41 0.12 -0.19 1.25 -1.51 0.00 0.00 179.97 179.22 1wh8 h LEU 49 N 0.18 -0.49 -0.97 3.80 6.46 -1.72 0.16 115.31 122.73 1wh8 h LEU 49 Ca 0.25 0.04 0.22 0.00 -0.12 0.00 0.00 57.88 58.27 1wh8 h LEU 49 Cb 0.36 0.15 -0.12 0.00 -0.73 0.00 0.00 40.66 40.33 1wh8 h LEU 49 CO -0.37 -0.31 0.54 0.15 -0.62 0.00 0.00 178.44 177.84 1wh8 h PHE 50 N -0.47 0.93 0.50 1.25 3.57 -1.55 0.18 116.94 121.36 1wh8 h PHE 50 Ca -0.02 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1wh8 h PHE 50 Cb 0.40 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.88 1wh8 h PHE 50 CO -0.11 0.09 -0.24 0.78 -2.23 0.00 0.00 178.31 176.60 1wh8 h GLY 51 N 0.59 -0.70 -0.30 2.40 0.00 -0.78 -2.07 103.07 102.21 1wh8 h GLY 51 Ca 0.60 0.26 0.07 0.00 0.00 0.00 0.00 47.33 48.26 1wh8 h GLY 51 CO -0.46 -0.25 -0.41 0.83 0.00 0.00 0.00 176.54 176.25 1wh8 h GLU 52 N -0.78 -0.29 0.00 4.80 4.39 0.08 0.49 114.58 123.27 1wh8 h GLU 52 Ca -0.07 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1wh8 h GLU 52 Cb 0.51 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1wh8 h GLU 52 CO 0.11 -0.19 -0.00 1.03 -1.16 0.00 0.00 179.01 178.79 1wh8 h SER 53 N -0.30 -0.01 0.00 1.42 0.87 -0.80 -3.14 113.55 111.59 1wh8 h SER 53 Ca 0.15 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.56 1wh8 h SER 53 Cb 0.57 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.52 1wh8 h SER 53 CO -0.58 -0.01 -0.85 0.40 -0.53 0.00 0.00 176.83 175.26 1wh8 h ILE 54 N -0.01 1.06 0.00 2.23 1.08 -1.20 -3.40 117.51 117.27 1wh8 h ILE 54 Ca -0.00 -2.11 0.00 0.00 -0.39 0.00 0.00 64.86 62.36 1wh8 h ILE 54 Cb 0.01 2.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.07 1wh8 h ILE 54 CO -0.00 0.36 -1.27 0.18 -0.69 0.00 0.00 178.15 176.73 1wh8 n LEU 55 N -4.50 0.60 -3.50 1.44 4.77 0.80 -5.00 117.00 111.60 1wh8 n LEU 55 Ca -0.24 0.21 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1wh8 n LEU 55 Cb 0.58 -0.05 0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1wh8 n LEU 55 CO 0.22 -0.12 -0.00 0.61 -1.33 0.00 0.00 177.39 176.76 1wh8 n GLY 56 N 1.22 -1.10 3.14 -0.72 0.00 0.14 -4.96 105.19 102.91 1wh8 n GLY 56 Ca -0.01 0.50 -0.18 0.00 0.00 0.00 0.00 46.02 46.33 1wh8 n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh8 s LEU 57 N -5.77 2.24 1.02 0.99 1.43 -1.15 -4.90 118.68 112.54 1wh8 s LEU 57 Ca 0.38 -0.55 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 1wh8 s LEU 57 Cb -0.11 -0.48 0.20 0.00 0.03 0.00 0.00 46.19 45.84 1wh8 s LEU 57 CO 0.82 -0.06 1.08 0.42 0.23 0.00 0.00 176.35 178.83 1wh8 s THR 58 N -1.15 2.22 0.11 5.49 -4.23 -1.26 -2.60 115.64 114.22 1wh8 s THR 58 Ca -0.02 0.07 -0.25 0.00 -1.18 0.00 0.00 61.69 60.31 1wh8 s THR 58 Cb -0.09 -2.30 -0.07 0.00 1.34 0.00 0.00 72.50 71.37 1wh8 s THR 58 CO 0.02 -0.10 1.66 -0.61 -0.54 0.00 0.00 174.62 175.05 1wh8 h GLN 59 N -2.09 -0.34 -0.85 3.99 4.15 -1.92 -0.25 115.11 117.79 1wh8 h GLN 59 Ca -0.54 0.02 0.06 0.00 0.77 0.00 0.00 58.65 58.96 1wh8 h GLN 59 Cb 1.31 0.08 -0.06 0.00 0.21 0.00 0.00 27.48 29.01 1wh8 h GLN 59 CO 0.51 -0.22 0.53 0.78 -1.93 0.00 0.00 178.83 178.49 1wh8 h GLY 60 N -0.35 1.28 0.96 2.39 0.00 -1.98 0.17 103.07 105.53 1wh8 h GLY 60 Ca 0.04 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.84 1wh8 h GLY 60 CO -0.15 0.27 -0.44 1.76 0.00 0.00 0.00 176.54 177.98 1wh8 h SER 61 N 0.97 0.72 -0.15 0.19 0.02 -1.88 -1.95 113.55 111.47 1wh8 h SER 61 Ca 0.37 -0.57 -0.15 0.00 -0.84 0.00 0.00 61.79 60.60 1wh8 h SER 61 Cb 0.15 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1wh8 h SER 61 CO -0.17 1.15 -0.45 1.62 -1.14 0.00 0.00 176.83 177.85 1wh8 h VAL 62 N 0.31 1.29 -0.53 2.27 3.04 -0.63 -2.46 116.25 119.55 1wh8 h VAL 62 Ca -0.00 -1.64 -0.09 0.00 -1.01 0.00 0.00 66.70 63.96 1wh8 h VAL 62 Cb 1.05 1.56 -0.02 0.00 -2.01 0.00 0.00 31.29 31.88 1wh8 h VAL 62 CO 0.10 0.53 -0.04 0.28 -1.01 0.00 0.00 177.57 177.43 1wh8 h SER 63 N 0.57 0.91 -0.45 3.17 0.02 -0.69 -0.93 113.55 116.15 1wh8 h SER 63 Ca 0.04 -0.26 0.07 0.00 -0.84 0.00 0.00 61.79 60.79 1wh8 h SER 63 Cb 1.00 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.24 1wh8 h SER 63 CO 0.09 1.00 0.13 -0.78 -1.14 0.00 0.00 176.83 176.13 1wh8 h ASP 64 N 0.85 0.09 -0.52 3.07 1.82 -1.26 0.21 116.42 120.69 1wh8 h ASP 64 Ca 0.15 0.06 0.03 0.00 -0.39 0.00 0.00 57.03 56.89 1wh8 h ASP 64 Cb 0.56 0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 1wh8 h ASP 64 CO 0.03 0.08 0.29 0.25 -1.61 0.00 0.00 179.24 178.28 1wh8 h LEU 65 N 0.28 0.44 0.00 2.28 5.85 -0.85 -1.03 115.31 122.28 1wh8 h LEU 65 Ca 0.22 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.81 1wh8 h LEU 65 Cb 0.25 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1wh8 h LEU 65 CO -0.25 0.30 -0.82 -0.07 -0.34 0.00 0.00 178.44 177.26 1wh8 h LEU 66 N 0.56 0.00 0.52 2.25 3.38 -0.98 -2.71 115.31 118.32 1wh8 h LEU 66 Ca 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1wh8 h LEU 66 Cb 0.08 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 1wh8 h LEU 66 CO -0.13 0.65 -0.25 -1.28 0.09 0.00 0.00 178.44 177.52 1wh8 h SER 67 N 0.00 -0.59 -2.09 -0.43 0.87 -0.29 -3.43 113.55 107.59 1wh8 h SER 67 Ca -0.04 0.02 -0.57 0.00 -1.23 0.00 0.00 61.79 59.97 1wh8 h SER 67 Cb 1.53 0.15 -0.39 0.00 -0.44 0.00 0.00 62.40 63.26 1wh8 h SER 67 CO 0.08 -0.28 -1.05 0.54 -0.53 0.00 0.00 176.83 175.59 1wh8 n ARG 68 N -4.66 0.74 -1.88 2.24 1.74 -0.42 -5.08 116.66 109.34 1wh8 n ARG 68 Ca -0.09 -3.32 -0.37 0.00 -0.77 0.00 0.00 57.85 53.31 1wh8 n ARG 68 Cb 0.28 -1.37 0.05 0.00 -1.02 0.00 0.00 32.46 30.39 1wh8 n ARG 68 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wh8 s PRO 69 N -1.03 2.88 0.51 5.56 0.04 -1.02 -4.81 135.00 137.11 1wh8 s PRO 69 Ca 0.35 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 63.29 1wh8 s PRO 69 Cb 0.14 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 1wh8 s PRO 69 CO -0.12 -1.32 0.87 0.15 0.04 0.00 0.00 177.00 176.62 1wh8 s LYS 70 N -3.24 3.66 0.82 4.56 3.01 -1.26 -4.91 119.74 122.38 1wh8 s LYS 70 Ca 0.78 0.50 -0.11 0.00 -1.01 0.00 0.00 55.97 56.13 1wh8 s LYS 70 Cb -0.35 -2.27 0.09 0.00 -1.01 0.00 0.00 37.83 34.29 1wh8 s LYS 70 CO 0.38 -0.28 1.10 -1.25 0.51 0.00 0.00 175.35 175.82 1wh8 s PRO 71 N -4.58 1.83 0.28 -1.68 0.04 -1.26 -4.72 135.00 124.90 1wh8 s PRO 71 Ca 0.52 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1wh8 s PRO 71 Cb -0.10 -1.85 0.54 0.00 0.04 0.00 0.00 34.50 33.13 1wh8 s PRO 71 CO 0.43 -1.95 1.82 2.35 0.04 0.00 0.00 177.00 179.69 1wh8 h TRP 72 N -1.36 1.07 -0.71 0.56 2.91 -1.92 -1.55 115.95 114.95 1wh8 h TRP 72 Ca -0.44 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 59.56 1wh8 h TRP 72 Cb 1.25 -0.33 -0.03 0.00 -0.51 0.00 0.00 29.16 29.53 1wh8 h TRP 72 CO 0.54 0.40 0.25 1.12 -1.03 0.00 0.00 178.44 179.71 1wh8 h HIS 73 N 0.92 1.13 0.00 2.65 2.07 -1.94 -2.63 115.15 117.34 1wh8 h HIS 73 Ca 0.48 -0.10 0.00 0.00 -2.85 0.00 0.00 60.37 57.90 1wh8 h HIS 73 Cb 0.51 -0.33 0.00 0.00 2.57 0.00 0.00 27.41 30.16 1wh8 h HIS 73 CO -0.02 0.89 0.00 1.63 -3.07 0.00 0.00 177.93 177.36 1wh8 n LYS 74 N -4.31 0.16 -3.74 5.12 4.76 -0.60 -4.53 118.16 115.02 1wh8 n LYS 74 Ca 0.05 0.46 -0.36 0.00 -2.87 0.00 0.00 58.31 55.60 1wh8 n LYS 74 Cb 0.21 -1.85 -0.10 0.00 -1.84 0.00 0.00 35.03 31.45 1wh8 n LYS 74 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wh8 s LEU 75 N -4.34 4.00 1.26 -0.35 1.43 -0.99 -4.97 118.68 114.72 1wh8 s LEU 75 Ca 0.03 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.00 1wh8 s LEU 75 Cb 0.08 -2.06 0.31 0.00 0.03 0.00 0.00 46.19 44.55 1wh8 s LEU 75 CO 0.33 0.08 1.08 -0.44 0.23 0.00 0.00 176.35 177.63 1wh8 s SER 76 N 0.94 0.41 0.23 2.29 0.01 -1.26 -4.69 113.70 111.63 1wh8 s SER 76 Ca 0.07 0.60 -0.07 0.00 1.31 0.00 0.00 55.95 57.86 1wh8 s SER 76 Cb -0.13 -0.81 0.35 0.00 0.21 0.00 0.00 66.02 65.63 1wh8 s SER 76 CO 0.03 -4.43 1.77 -0.07 0.41 0.00 0.00 173.24 170.95 1wh8 h LEU 77 N -2.79 0.44 -2.41 2.44 3.38 -1.96 0.26 115.31 114.67 1wh8 h LEU 77 Ca -0.43 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1wh8 h LEU 77 Cb 1.30 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.04 1wh8 h LEU 77 CO 0.30 0.24 -0.02 0.07 0.09 0.00 0.00 178.44 179.13 1wh8 h LYS 78 N 0.58 0.00 0.04 1.13 -0.00 -1.98 -0.61 116.57 115.73 1wh8 h LYS 78 Ca 0.35 0.00 -0.22 0.00 -0.00 0.00 0.00 60.65 60.78 1wh8 h LYS 78 Cb 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.61 1wh8 h LYS 78 CO -0.28 0.02 -1.00 0.78 -0.00 0.00 0.00 179.45 178.97 1wh8 h GLY 79 N 0.16 0.19 1.24 0.07 0.00 -0.87 -3.35 103.07 100.51 1wh8 h GLY 79 Ca -0.00 -0.40 -0.10 0.00 0.00 0.00 0.00 47.33 46.83 1wh8 h GLY 79 CO 0.00 0.35 -1.05 3.21 0.00 0.00 0.00 176.54 179.05 1wh8 h ARG 80 N 0.07 0.00 -0.73 4.80 3.08 -0.02 -3.39 114.38 118.19 1wh8 h ARG 80 Ca -0.06 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.10 1wh8 h ARG 80 Cb 1.69 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 31.63 1wh8 h ARG 80 CO 0.15 0.23 -0.30 -1.91 -1.07 0.00 0.00 179.97 177.08 1wh8 n GLU 81 N -2.91 -0.18 -0.03 0.04 2.13 -0.34 -1.37 120.64 117.98 1wh8 n GLU 81 Ca -0.04 1.12 -0.13 0.00 0.66 0.00 0.00 57.16 58.77 1wh8 n GLU 81 Cb 0.73 -1.66 -0.09 0.00 0.27 0.00 0.00 31.44 30.68 1wh8 n GLU 81 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1wh8 h PRO 82 N 0.00 0.12 -0.11 5.31 0.13 -1.83 -3.11 132.00 132.51 1wh8 h PRO 82 Ca 0.24 -0.07 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1wh8 h PRO 82 Cb 0.42 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1wh8 h PRO 82 CO -0.72 0.60 0.06 0.74 -0.23 0.00 0.00 178.00 178.45 1wh8 h PHE 83 N -0.36 0.14 0.30 1.56 -1.00 -1.47 0.11 116.94 116.22 1wh8 h PHE 83 Ca 0.01 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1wh8 h PHE 83 Cb 0.58 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 40.10 1wh8 h PHE 83 CO 0.10 0.10 -0.15 0.28 -1.61 0.00 0.00 178.31 177.04 1wh8 h VAL 84 N 0.15 0.73 -0.38 -0.55 2.07 -1.27 -0.51 116.25 116.48 1wh8 h VAL 84 Ca 0.04 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.30 1wh8 h VAL 84 Cb 0.01 0.88 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1wh8 h VAL 84 CO -0.01 0.06 0.25 0.03 0.02 0.00 0.00 177.57 177.92 1wh8 h ARG 85 N -0.55 0.48 -0.04 1.57 3.08 -1.09 -0.44 114.38 117.40 1wh8 h ARG 85 Ca -0.04 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1wh8 h ARG 85 Cb 0.41 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1wh8 h ARG 85 CO 0.07 0.32 0.02 0.52 -1.07 0.00 0.00 179.97 179.83 1wh8 h MET 86 N 0.50 0.06 0.13 0.04 2.86 -0.64 0.17 114.93 118.05 1wh8 h MET 86 Ca 0.14 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 1wh8 h MET 86 Cb -0.03 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 1wh8 h MET 86 CO -0.03 0.12 -0.24 0.37 1.06 0.00 0.00 176.91 178.18 1wh8 h GLN 87 N -0.02 -0.43 -0.15 1.72 5.75 -0.26 -1.07 115.11 120.64 1wh8 h GLN 87 Ca 0.01 0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.43 1wh8 h GLN 87 Cb 0.08 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1wh8 h GLN 87 CO -0.00 -0.29 -0.39 -0.07 -2.65 0.00 0.00 178.83 175.42 1wh8 h LEU 88 N -0.45 0.35 -0.56 -2.39 -0.00 -1.04 -2.63 115.31 108.59 1wh8 h LEU 88 Ca 0.03 -0.15 -0.05 0.00 -0.00 0.00 0.00 57.88 57.71 1wh8 h LEU 88 Cb 0.47 -0.10 -0.02 0.00 -0.00 0.00 0.00 40.66 41.01 1wh8 h LEU 88 CO -0.13 0.72 0.17 -0.25 -0.00 0.00 0.00 178.44 178.94 1wh8 h TRP 89 N 0.28 0.91 0.00 1.13 7.01 -0.47 -0.16 115.95 124.66 1wh8 h TRP 89 Ca 0.03 -0.10 0.00 0.00 2.11 0.00 0.00 58.89 60.93 1wh8 h TRP 89 Cb 0.82 -0.26 0.00 0.00 -2.10 0.00 0.00 29.16 27.62 1wh8 h TRP 89 CO 0.02 0.77 0.00 -0.07 -2.79 0.00 0.00 178.44 176.37 1wh8 h LEU 90 N 0.79 0.00 0.00 0.65 3.38 -0.95 -2.80 115.31 116.38 1wh8 h LEU 90 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1wh8 h LEU 90 Cb 0.30 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1wh8 h LEU 90 CO -0.00 0.00 -1.79 -3.20 0.09 0.00 0.00 178.44 173.54 1wh8 n ASN 91 N -2.84 0.18 -4.78 -0.43 5.15 -0.20 -4.91 115.26 107.44 1wh8 n ASN 91 Ca -0.02 0.07 -0.36 0.00 -0.60 0.00 0.00 54.58 53.67 1wh8 n ASN 91 Cb 0.09 1.66 -0.01 0.00 -0.53 0.00 0.00 39.78 40.99 1wh8 n ASN 91 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 1wh8 s ASP 92 N -4.71 6.20 -0.11 1.20 1.01 -0.43 -5.01 116.67 114.82 1wh8 s ASP 92 Ca -0.06 2.20 -0.15 0.00 0.71 0.00 0.00 52.55 55.24 1wh8 s ASP 92 Cb 0.13 -2.59 -0.27 0.00 1.01 0.00 0.00 42.92 41.20 1wh8 s ASP 92 CO 0.88 -0.89 0.53 1.55 0.21 0.00 0.00 175.17 177.46 1wh8 h PRO 93 N 1.91 0.24 -0.94 8.23 0.13 -1.91 -3.33 132.00 136.33 1wh8 h PRO 93 Ca -0.49 -0.41 -0.14 0.00 -0.87 0.00 0.00 66.00 64.10 1wh8 h PRO 93 Cb 1.24 0.15 -0.08 0.00 0.13 0.00 0.00 31.00 32.44 1wh8 h PRO 93 CO 0.60 1.19 0.17 0.72 -0.23 0.00 0.00 178.00 180.46 1wh8 n HIS 94 N -3.91 1.13 -0.05 1.56 8.25 -1.26 -4.47 115.22 116.47 1wh8 n HIS 94 Ca -0.26 -0.78 -0.11 0.00 -0.26 0.00 0.00 57.72 56.32 1wh8 n HIS 94 Cb 0.90 -0.44 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 1wh8 n HIS 94 CO 0.00 0.00 0.00 -2.95 0.64 0.00 0.00 176.34 174.03 1wh8 h ASN 95 N 0.87 0.25 -0.41 0.41 -1.07 -1.83 0.02 115.58 113.81 1wh8 h ASN 95 Ca 0.17 -0.12 -0.10 0.00 0.07 0.00 0.00 56.30 56.32 1wh8 h ASN 95 Cb 1.54 -0.06 -0.01 0.00 -2.07 0.00 0.00 38.32 37.71 1wh8 h ASN 95 CO 0.37 0.30 -0.13 0.58 0.07 0.00 0.00 177.43 178.61 1wh8 h VAL 96 N 0.18 1.28 0.13 6.14 2.07 -1.89 -2.52 116.25 121.63 1wh8 h VAL 96 Ca 0.06 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.33 1wh8 h VAL 96 Cb 0.12 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1wh8 h VAL 96 CO -0.01 0.42 -0.06 -0.33 0.02 0.00 0.00 177.57 177.61 1wh8 h GLU 97 N 0.64 -0.16 -1.00 1.57 3.07 -1.82 0.20 114.58 117.07 1wh8 h GLU 97 Ca 0.10 0.01 0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1wh8 h GLU 97 Cb 0.67 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.56 1wh8 h GLU 97 CO 0.05 -0.08 0.66 0.87 -1.40 0.00 0.00 179.01 179.11 1wh8 h LYS 98 N -0.21 1.27 -0.07 2.33 6.56 -1.05 0.19 116.57 125.60 1wh8 h LYS 98 Ca -0.02 -0.08 -0.06 0.00 -1.06 0.00 0.00 60.65 59.44 1wh8 h LYS 98 Cb 0.16 -0.29 -0.01 0.00 -0.57 0.00 0.00 32.23 31.53 1wh8 h LYS 98 CO 0.03 0.84 -0.24 1.25 -2.06 0.00 0.00 179.45 179.27 1wh8 h LEU 99 N 1.31 0.11 0.10 2.94 5.85 -0.93 -2.22 115.31 122.47 1wh8 h LEU 99 Ca 0.38 -0.03 -0.27 0.00 0.84 0.00 0.00 57.88 58.81 1wh8 h LEU 99 Cb -0.07 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1wh8 h LEU 99 CO -0.10 0.35 -1.29 0.03 -0.34 0.00 0.00 178.44 177.09 1wh8 h ARG 100 N 0.10 0.20 -0.80 1.25 3.08 0.15 -3.31 114.38 115.06 1wh8 h ARG 100 Ca 0.02 -0.35 0.05 0.00 0.07 0.00 0.00 59.98 59.77 1wh8 h ARG 100 Cb 0.48 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 1wh8 h ARG 100 CO 0.03 1.12 0.52 0.22 -1.07 0.00 0.00 179.97 180.80 1wh8 h ASP 101 N 0.06 0.80 -0.89 7.04 1.82 -0.22 0.82 116.42 125.83 1wh8 h ASP 101 Ca -0.14 -0.00 0.14 0.00 -0.39 0.00 0.00 57.03 56.63 1wh8 h ASP 101 Cb 1.95 -0.18 -0.07 0.00 0.68 0.00 0.00 39.33 41.71 1wh8 h ASP 101 CO 0.18 0.53 0.58 0.24 -1.61 0.00 0.00 179.24 179.16 1wh8 h MET 102 N 0.92 0.70 0.00 0.28 2.86 -1.50 -3.10 114.93 115.09 1wh8 h MET 102 Ca 0.33 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1wh8 h MET 102 Cb 0.14 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1wh8 h MET 102 CO -0.11 0.46 -0.62 -0.22 1.06 0.00 0.00 176.91 177.48 1wh8 h LYS 103 N 0.72 0.00 0.00 1.72 3.64 -1.06 -3.50 116.57 118.08 1wh8 h LYS 103 Ca 0.45 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 1wh8 h LYS 103 Cb 0.69 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1wh8 h LYS 103 CO -0.21 1.00 0.00 0.36 -2.27 0.00 0.00 179.45 178.33 1wh8 n LYS 104 N -4.52 0.00 -4.02 1.90 0.00 -0.10 -4.87 118.16 106.55 1wh8 n LYS 104 Ca -0.21 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.74 1wh8 n LYS 104 Cb 0.58 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.61 1wh8 n LYS 104 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1wh8 n LEU 105 N 0.00 -0.22 0.00 -5.58 4.77 -1.26 -4.80 117.00 109.91 1wh8 n LEU 105 Ca 0.00 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1wh8 n LEU 105 Cb 0.00 -1.29 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 1wh8 n LEU 105 CO 0.00 0.62 0.00 -1.54 -1.33 0.00 0.00 177.39 175.14 1wh8 n SER 106 N -1.72 0.00 0.00 -1.43 3.41 -1.26 -5.18 113.62 107.45 1wh8 n SER 106 Ca -0.13 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1wh8 n SER 106 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 1wh8 n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh8 n GLY 107 N 0.00 -1.17 3.59 5.00 0.00 -1.26 -5.10 105.19 106.26 1wh8 n GLY 107 Ca 0.00 -1.20 -0.46 0.00 0.00 0.00 0.00 46.02 44.36 1wh8 n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh8 n PRO 108 N 0.00 1.92 -3.93 1.61 -0.04 -1.26 -4.92 135.00 128.39 1wh8 n PRO 108 Ca 0.00 0.61 -0.09 0.00 -0.04 0.00 0.00 63.50 63.98 1wh8 n PRO 108 Cb 0.00 -2.87 -0.09 0.00 -0.04 0.00 0.00 33.50 30.50 1wh8 n PRO 108 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wh8 s SER 109 N 6.50 0.21 0.61 3.54 1.04 -1.26 -5.02 113.70 119.31 1wh8 s SER 109 Ca 0.99 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1wh8 s SER 109 Cb -0.57 0.27 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1wh8 s SER 109 CO 0.44 -0.61 0.00 -1.20 0.98 0.00 0.00 173.24 172.84 1wh8 n SER 110 N 0.32 -1.99 0.00 7.02 7.64 -1.26 -5.20 113.62 120.14 1wh8 n SER 110 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1wh8 n SER 110 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1wh8 n SER 110 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64