#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wql n GLN 4 N 0.00 2.13 -4.06 0.00 7.27 -1.25 -4.82 117.38 116.65 2wql n GLN 4 Ca 0.00 0.75 -0.09 0.00 0.07 0.00 0.00 57.00 57.74 2wql n GLN 4 Cb 0.00 -2.41 -0.09 0.00 2.41 0.00 0.00 30.24 30.15 2wql n GLN 4 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2wql s SER 5 N 0.17 0.28 -0.14 1.69 1.04 -1.26 -1.11 113.70 114.37 2wql s SER 5 Ca 0.65 -1.01 -0.21 0.00 0.48 0.00 0.00 55.95 55.86 2wql s SER 5 Cb -0.61 0.30 0.05 0.00 0.10 0.00 0.00 66.02 65.86 2wql s SER 5 CO 0.52 -0.73 0.53 -2.28 0.98 0.00 0.00 173.24 172.27 2wql s HIS 6 N -3.97 -0.54 0.07 5.02 5.04 -0.22 -5.00 115.29 115.69 2wql s HIS 6 Ca 0.16 1.20 0.07 0.00 -1.54 0.00 0.00 55.06 54.95 2wql s HIS 6 Cb 0.06 0.23 -0.03 0.00 0.04 0.00 0.00 32.58 32.88 2wql s HIS 6 CO -0.03 -0.37 -0.19 -1.54 -2.34 0.00 0.00 174.74 170.26 2wql s SER 7 N -0.27 2.34 -0.06 9.88 1.04 -1.26 -0.40 113.70 124.96 2wql s SER 7 Ca -0.04 -0.59 0.02 0.00 0.48 0.00 0.00 55.95 55.81 2wql s SER 7 Cb -0.03 -0.15 0.01 0.00 0.10 0.00 0.00 66.02 65.95 2wql s SER 7 CO 0.03 0.08 -0.11 -0.22 0.98 0.00 0.00 173.24 174.00 2wql s LEU 8 N -1.54 1.62 -0.10 2.42 2.96 0.08 -4.99 118.68 119.13 2wql s LEU 8 Ca 0.05 -0.28 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2wql s LEU 8 Cb -0.09 -0.78 -0.01 0.00 0.50 0.00 0.00 46.19 45.80 2wql s LEU 8 CO 0.03 0.03 -0.18 -1.61 -1.32 0.00 0.00 176.35 173.30 2wql s GLU 9 N 0.68 3.02 -0.12 1.98 8.01 -1.26 -0.79 118.70 130.22 2wql s GLU 9 Ca -0.14 -0.77 0.02 0.00 0.01 0.00 0.00 54.97 54.09 2wql s GLU 9 Cb -0.16 -2.44 0.01 0.00 -4.31 0.00 0.00 34.13 27.24 2wql s GLU 9 CO 0.03 0.31 -0.16 0.42 0.01 0.00 0.00 175.26 175.87 2wql s ILE 10 N 0.07 1.55 0.16 -1.63 1.01 -0.43 -4.96 121.20 116.97 2wql s ILE 10 Ca -0.07 -0.67 -0.14 0.00 0.00 0.00 0.00 60.65 59.77 2wql s ILE 10 Cb -0.15 -1.42 -0.07 0.00 0.01 0.00 0.00 42.46 40.83 2wql s ILE 10 CO 0.05 0.45 0.56 -0.89 0.00 0.00 0.00 174.94 175.11 2wql s THR 11 N 1.02 4.85 0.01 2.92 2.01 -1.26 -0.94 115.64 124.25 2wql s THR 11 Ca -0.05 0.81 -0.09 0.00 0.31 0.00 0.00 61.69 62.66 2wql s THR 11 Cb -0.15 -3.72 0.01 0.00 0.01 0.00 0.00 72.50 68.65 2wql s THR 11 CO -0.03 0.20 0.19 -0.55 -0.69 0.00 0.00 174.62 173.74 2wql s SER 12 N -1.80 -0.02 0.13 3.53 0.15 -0.51 -4.99 113.70 110.18 2wql s SER 12 Ca 0.39 -0.18 0.26 0.00 0.70 0.00 0.00 55.95 57.12 2wql s SER 12 Cb -0.15 0.25 0.70 0.00 -1.71 0.00 0.00 66.02 65.11 2wql s SER 12 CO 0.19 -0.43 1.62 -1.54 1.20 0.00 0.00 173.24 174.28 2wql n SER 13 N 1.22 0.62 -4.79 5.45 3.41 -1.26 -1.40 113.62 116.87 2wql n SER 13 Ca -0.22 0.34 -0.35 0.00 -0.26 0.00 0.00 58.87 58.38 2wql n SER 13 Cb 0.56 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.13 2wql n SER 13 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2wql s VAL 14 N -3.10 3.89 0.77 -3.33 1.01 -1.26 -4.01 120.40 114.37 2wql s VAL 14 Ca 0.10 1.32 -0.12 0.00 0.00 0.00 0.00 61.98 63.28 2wql s VAL 14 Cb 0.14 -3.62 0.06 0.00 0.00 0.00 0.00 36.38 32.96 2wql s VAL 14 CO 0.64 -0.11 1.12 -0.94 0.00 0.00 0.00 175.10 175.80 2wql s SER 15 N -1.80 4.30 0.13 3.32 1.04 -1.24 -3.02 113.70 116.42 2wql s SER 15 Ca 0.61 2.00 -0.19 0.00 0.48 0.00 0.00 55.95 58.85 2wql s SER 15 Cb -0.18 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 2wql s SER 15 CO 0.22 -2.18 1.77 0.00 0.98 0.00 0.00 173.24 174.04 2wql h ALA 16 N -0.90 0.29 -0.60 5.32 0.00 -1.82 -1.33 119.26 120.22 2wql h ALA 16 Ca -0.45 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.53 2wql h ALA 16 Cb 1.25 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 2wql h ALA 16 CO 0.50 -0.26 0.28 0.93 0.00 0.00 0.00 179.25 180.70 2wql h GLU 17 N 0.28 0.50 -0.22 0.00 5.08 -1.92 -1.35 114.58 116.94 2wql h GLU 17 Ca 0.09 -0.03 -0.19 0.00 -1.00 0.00 0.00 59.36 58.24 2wql h GLU 17 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2wql h GLU 17 CO -0.05 0.33 -0.59 -0.22 -1.00 0.00 0.00 179.01 177.47 2wql h LYS 18 N 0.51 0.78 -0.31 2.33 3.64 -1.86 -2.08 116.57 119.58 2wql h LYS 18 Ca 0.29 -0.56 -0.02 0.00 -1.27 0.00 0.00 60.65 59.10 2wql h LYS 18 Cb 0.27 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 2wql h LYS 18 CO -0.24 1.18 0.13 0.82 -2.27 0.00 0.00 179.45 179.07 2wql h ILE 19 N 0.53 1.17 -0.90 2.00 1.08 -1.09 -2.11 117.51 118.19 2wql h ILE 19 Ca -0.01 -0.52 0.02 0.00 -0.39 0.00 0.00 64.86 63.96 2wql h ILE 19 Cb 1.21 0.94 -0.05 0.00 -3.07 0.00 0.00 36.82 35.86 2wql h ILE 19 CO 0.13 0.18 0.59 0.15 -0.69 0.00 0.00 178.15 178.51 2wql h PHE 20 N 0.36 1.10 -0.08 1.37 3.57 -1.21 0.31 116.94 122.36 2wql h PHE 20 Ca 0.11 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.54 2wql h PHE 20 Cb 0.17 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.52 2wql h PHE 20 CO -0.01 0.66 -0.36 0.66 -2.23 0.00 0.00 178.31 177.03 2wql h SER 21 N 1.16 0.17 0.11 0.41 4.64 -1.02 -1.40 113.55 117.63 2wql h SER 21 Ca 0.35 -0.06 -0.20 0.00 -0.47 0.00 0.00 61.79 61.41 2wql h SER 21 Cb -0.05 -0.05 0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2wql h SER 21 CO -0.09 0.52 -0.85 1.23 -0.87 0.00 0.00 176.83 176.77 2wql h GLY 22 N 1.14 0.43 0.20 -0.77 0.00 -0.62 0.20 103.07 103.65 2wql h GLY 22 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.38 2wql h GLY 22 CO 0.05 0.85 -0.54 0.29 0.00 0.00 0.00 176.54 177.19 2wql n ILE 23 N -4.09 0.00 0.03 2.60 -5.35 0.00 -3.54 119.36 109.01 2wql n ILE 23 Ca -0.13 -0.08 0.00 0.00 -0.27 0.00 0.00 62.75 62.27 2wql n ILE 23 Cb 0.82 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 2wql n ILE 23 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 2wql n VAL 24 N -0.99 0.27 -0.13 7.28 0.31 -0.55 -4.76 118.33 119.76 2wql n VAL 24 Ca 0.08 0.09 -0.09 0.00 -0.01 0.00 0.00 64.34 64.40 2wql n VAL 24 Cb 0.36 -0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 32.47 2wql n VAL 24 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wql h LEU 25 N 0.00 0.56 -3.07 7.52 3.38 -1.44 -3.17 115.31 119.08 2wql h LEU 25 Ca 0.00 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2wql h LEU 25 Cb 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2wql h LEU 25 CO 0.00 0.61 0.00 0.47 0.09 0.00 0.00 178.44 179.61 2wql n ASP 26 N -4.62 3.57 -0.33 -0.43 8.00 0.71 -4.75 116.55 118.69 2wql n ASP 26 Ca -0.01 -2.47 0.15 0.00 0.71 0.00 0.00 54.79 53.17 2wql n ASP 26 Cb 0.17 -0.40 0.37 0.00 -0.02 0.00 0.00 41.12 41.24 2wql n ASP 26 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2wql h VAL 27 N 2.21 0.69 -0.06 2.53 3.04 -1.59 -0.96 116.25 122.10 2wql h VAL 27 Ca 0.00 -0.23 -0.08 0.00 -1.01 0.00 0.00 66.70 65.38 2wql h VAL 27 Cb 1.12 -0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.34 2wql h VAL 27 CO 0.12 0.12 -0.34 0.44 -1.01 0.00 0.00 177.57 176.91 2wql h ASP 28 N 0.68 0.12 0.42 3.17 3.32 -1.86 -1.33 116.42 120.95 2wql h ASP 28 Ca 0.56 -0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.50 2wql h ASP 28 Cb 0.99 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 2wql h ASP 28 CO -0.34 0.46 -1.64 0.35 -1.72 0.00 0.00 179.24 176.35 2wql n THR 29 N -4.11 0.55 -0.03 0.35 -2.24 -0.86 -4.47 114.28 103.47 2wql n THR 29 Ca -0.02 -0.59 -0.15 0.00 -2.27 0.00 0.00 64.05 61.03 2wql n THR 29 Cb 0.40 -0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 68.23 2wql n THR 29 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2wql h VAL 30 N 0.00 1.56 -0.78 2.28 2.07 -1.01 -3.34 116.25 117.03 2wql h VAL 30 Ca -0.09 -1.97 0.07 0.00 0.82 0.00 0.00 66.70 65.53 2wql h VAL 30 Cb 1.24 2.82 -0.06 0.00 -1.52 0.00 0.00 31.29 33.77 2wql h VAL 30 CO 0.01 0.54 0.45 0.40 0.02 0.00 0.00 177.57 178.99 2wql h ILE 31 N -0.55 0.98 0.00 4.57 2.04 -1.47 0.22 117.51 123.30 2wql h ILE 31 Ca -0.03 -0.28 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2wql h ILE 31 Cb 1.00 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2wql h ILE 31 CO 0.05 0.15 -0.12 -0.65 0.00 0.00 0.00 178.15 177.57 2wql h PRO 32 N 0.81 0.00 0.05 2.37 0.11 -1.78 0.11 132.00 133.66 2wql h PRO 32 Ca 0.35 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.18 2wql h PRO 32 Cb 0.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2wql h PRO 32 CO -0.20 0.12 -1.46 0.87 -0.21 0.00 0.00 178.00 177.12 2wql h LYS 33 N 0.00 0.10 0.13 1.05 1.57 -1.35 -3.37 116.57 114.70 2wql h LYS 33 Ca -0.00 -0.17 -0.35 0.00 -1.87 0.00 0.00 60.65 58.26 2wql h LYS 33 Cb 0.24 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2wql h LYS 33 CO 0.02 0.88 -1.90 0.00 -0.57 0.00 0.00 179.45 177.88 2wql h ALA 34 N 0.78 0.38 -2.35 3.86 0.00 -0.28 -3.41 119.26 118.23 2wql h ALA 34 Ca -0.20 -1.34 -0.59 0.00 0.00 0.00 0.00 54.91 52.78 2wql h ALA 34 Cb 1.95 0.67 -0.41 0.00 0.00 0.00 0.00 17.79 20.00 2wql h ALA 34 CO 0.12 1.22 -0.76 0.00 0.00 0.00 0.00 179.25 179.84 2wql n ALA 35 N -3.01 3.40 -0.33 0.00 0.00 0.35 -4.77 120.51 116.14 2wql n ALA 35 Ca -0.31 -4.20 0.06 0.00 0.00 0.00 0.00 53.44 48.99 2wql n ALA 35 Cb 1.02 -0.89 0.22 0.00 0.00 0.00 0.00 19.45 19.80 2wql n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wql h THR 36 N 3.31 0.90 -0.02 0.00 1.03 -1.72 -2.11 112.91 114.30 2wql h THR 36 Ca 0.17 -0.31 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 2wql h THR 36 Cb 0.76 -0.08 0.00 0.00 -1.07 0.00 0.00 68.15 67.76 2wql h THR 36 CO 0.67 0.16 -0.13 0.61 -0.01 0.00 0.00 175.52 176.82 2wql n GLY 37 N -1.34 0.34 0.21 2.99 0.00 -1.26 -4.65 105.19 101.49 2wql n GLY 37 Ca 0.17 -0.55 -0.01 0.00 0.00 0.00 0.00 46.02 45.64 2wql n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql h ALA 38 N 3.60 0.60 -2.78 4.61 0.00 -1.75 -3.41 119.26 120.13 2wql h ALA 38 Ca 0.00 0.14 -0.66 0.00 0.00 0.00 0.00 54.91 54.38 2wql h ALA 38 Cb 0.75 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.67 2wql h ALA 38 CO 0.00 -0.34 -0.50 0.71 0.00 0.00 0.00 179.25 179.11 2wql s TYR 39 N -6.14 3.52 -0.01 0.00 2.02 -1.26 -4.56 117.35 110.92 2wql s TYR 39 Ca -0.13 0.43 -0.20 0.00 -0.37 0.00 0.00 57.07 56.81 2wql s TYR 39 Cb 0.17 -1.89 -0.32 0.00 -0.40 0.00 0.00 41.96 39.53 2wql s TYR 39 CO 0.73 0.68 0.96 -0.22 -1.57 0.00 0.00 175.55 176.13 2wql h LYS 40 N 4.67 0.40 -2.59 -0.62 3.64 -0.80 -3.47 116.57 117.80 2wql h LYS 40 Ca -0.53 -0.64 0.00 0.00 -1.27 0.00 0.00 60.65 58.21 2wql h LYS 40 Cb 1.21 0.23 -0.15 0.00 -0.41 0.00 0.00 32.23 33.12 2wql h LYS 40 CO 0.60 1.30 0.28 -1.54 -2.27 0.00 0.00 179.45 177.82 2wql s SER 41 N -7.15 -0.54 -0.06 4.20 1.04 -0.99 -5.02 113.70 105.19 2wql s SER 41 Ca -0.12 0.17 -0.02 0.00 0.48 0.00 0.00 55.95 56.46 2wql s SER 41 Cb 0.02 0.53 0.03 0.00 0.10 0.00 0.00 66.02 66.71 2wql s SER 41 CO 0.87 -0.80 0.04 -0.69 0.98 0.00 0.00 173.24 173.64 2wql s VAL 42 N -2.98 0.07 -0.27 5.02 1.01 -1.26 -1.87 120.40 120.11 2wql s VAL 42 Ca -0.01 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.15 2wql s VAL 42 Cb -0.01 -0.31 -0.05 0.00 0.00 0.00 0.00 36.38 36.01 2wql s VAL 42 CO -0.07 0.19 0.20 -1.61 0.00 0.00 0.00 175.10 173.81 2wql s GLU 43 N 2.09 3.97 -0.23 2.72 2.02 -0.46 -4.97 118.70 123.84 2wql s GLU 43 Ca 0.05 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.71 2wql s GLU 43 Cb -0.12 -3.64 -0.02 0.00 0.10 0.00 0.00 34.13 30.45 2wql s GLU 43 CO -0.04 -0.16 0.01 0.08 0.02 0.00 0.00 175.26 175.18 2wql s VAL 44 N 1.69 3.81 -0.41 2.63 1.01 -1.26 -0.73 120.40 127.13 2wql s VAL 44 Ca 0.08 -0.35 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 2wql s VAL 44 Cb -0.16 -2.76 0.11 0.00 0.00 0.00 0.00 36.38 33.57 2wql s VAL 44 CO 0.10 0.38 0.21 -0.54 0.00 0.00 0.00 175.10 175.25 2wql s LYS 45 N 1.54 2.08 0.00 2.72 1.02 -0.39 -5.01 119.74 121.70 2wql s LYS 45 Ca 0.06 -1.78 0.00 0.00 0.02 0.00 0.00 55.97 54.27 2wql s LYS 45 Cb -0.15 -3.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2wql s LYS 45 CO -0.00 -1.07 0.00 0.41 -0.92 0.00 0.00 175.35 173.77 2wql n GLY 46 N 4.64 1.38 0.72 -3.33 0.00 -1.26 -1.74 105.19 105.60 2wql n GLY 46 Ca -0.03 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 43.87 2wql n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 47 N 0.00 2.28 0.00 1.61 5.68 -1.26 -4.93 116.55 119.93 2wql n ASP 47 Ca 0.00 -1.75 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 2wql n ASP 47 Cb 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 2wql n ASP 47 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 48 N 1.27 1.79 0.62 6.12 0.00 -1.26 -5.08 105.19 108.66 2wql n GLY 48 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2wql n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 49 N -1.49 -0.11 3.61 -0.02 0.00 -1.26 -4.90 105.19 101.02 2wql n GLY 49 Ca 0.00 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 2wql n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wql n ALA 50 N -3.05 -0.00 0.00 4.61 0.00 -1.26 -2.03 120.51 118.77 2wql n ALA 50 Ca -0.03 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.81 2wql n ALA 50 Cb 0.09 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2wql n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wql n GLY 51 N 1.39 1.67 3.76 0.00 0.00 0.05 -4.99 105.19 107.07 2wql n GLY 51 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 2wql n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wql s THR 52 N -2.33 2.59 -0.08 2.61 2.01 -0.86 -4.82 115.64 114.77 2wql s THR 52 Ca 0.00 0.56 0.01 0.00 0.31 0.00 0.00 61.69 62.58 2wql s THR 52 Cb 0.00 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.17 2wql s THR 52 CO 0.00 0.12 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.26 2wql s VAL 53 N -0.77 1.01 -0.16 3.82 1.01 -0.71 -0.43 120.40 124.17 2wql s VAL 53 Ca 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 2wql s VAL 53 Cb -0.41 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2wql s VAL 53 CO 0.51 0.34 -0.10 -0.13 0.00 0.00 0.00 175.10 175.72 2wql s ARG 54 N 0.99 3.40 -0.42 2.72 0.52 0.30 -1.26 118.95 125.19 2wql s ARG 54 Ca -0.09 -0.66 -0.15 0.00 -0.52 0.00 0.00 55.73 54.32 2wql s ARG 54 Cb -0.15 -2.77 0.04 0.00 0.52 0.00 0.00 34.95 32.59 2wql s ARG 54 CO -0.00 0.09 0.32 0.42 0.02 0.00 0.00 175.30 176.14 2wql s ILE 55 N 0.70 5.18 -0.10 1.52 1.01 0.09 -0.90 121.20 128.70 2wql s ILE 55 Ca -0.05 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 2wql s ILE 55 Cb -0.15 -3.95 -0.03 0.00 0.01 0.00 0.00 42.46 38.34 2wql s ILE 55 CO 0.02 -0.38 -0.00 -0.63 0.00 0.00 0.00 174.94 173.95 2wql s ILE 56 N 1.66 4.28 -0.09 2.92 1.01 0.48 -1.36 121.20 130.09 2wql s ILE 56 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 60.65 60.46 2wql s ILE 56 Cb -0.21 -2.82 0.02 0.00 0.01 0.00 0.00 42.46 39.47 2wql s ILE 56 CO 0.09 0.58 -0.11 -0.89 0.00 0.00 0.00 174.94 174.61 2wql s THR 57 N -0.63 1.17 0.43 2.92 2.01 -0.78 -1.46 115.64 119.30 2wql s THR 57 Ca 0.10 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.70 2wql s THR 57 Cb -0.12 -1.11 0.01 0.00 0.01 0.00 0.00 72.50 71.29 2wql s THR 57 CO 0.02 0.38 0.61 -0.76 -0.69 0.00 0.00 174.62 174.18 2wql s LEU 58 N 1.13 3.66 0.93 4.42 1.02 0.18 -0.17 118.68 129.85 2wql s LEU 58 Ca -0.05 -0.08 -0.11 0.00 0.02 0.00 0.00 54.13 53.91 2wql s LEU 58 Cb -0.14 -2.86 0.11 0.00 0.02 0.00 0.00 46.19 43.31 2wql s LEU 58 CO -0.02 -0.74 0.88 -2.65 0.02 0.00 0.00 176.35 173.84 2wql n PRO 59 N -1.96 -0.39 -0.18 1.29 -0.02 -1.26 -4.67 135.00 127.80 2wql n PRO 59 Ca 0.04 -0.06 -0.03 0.00 -2.02 0.00 0.00 63.50 61.44 2wql n PRO 59 Cb 0.59 -2.19 0.04 0.00 -0.02 0.00 0.00 33.50 31.92 2wql n PRO 59 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2wql h GLU 60 N -1.77 -0.05 0.00 -0.52 5.08 -1.98 -2.28 114.58 113.07 2wql h GLU 60 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 2wql h GLU 60 Cb 1.27 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2wql h GLU 60 CO 0.39 -0.03 0.00 0.78 -1.00 0.00 0.00 179.01 179.14 2wql h GLY 61 N -0.05 0.00 -2.61 -3.84 0.00 -1.98 -3.48 103.07 91.10 2wql h GLY 61 Ca 0.26 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.02 2wql h GLY 61 CO -0.59 0.00 -0.08 1.44 0.00 0.00 0.00 176.54 177.30 2wql n SER 62 N -3.05 -0.04 -0.26 0.19 7.64 -0.86 -4.89 113.62 112.36 2wql n SER 62 Ca 0.02 0.72 -0.03 0.00 1.01 0.00 0.00 58.87 60.59 2wql n SER 62 Cb 0.37 -1.32 0.15 0.00 -1.01 0.00 0.00 64.21 62.40 2wql n SER 62 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 2wql h PRO 63 N 0.10 1.11 -4.98 1.43 0.11 -1.93 -3.36 132.00 124.48 2wql h PRO 63 Ca -0.47 -0.13 -0.65 0.00 0.11 0.00 0.00 66.00 64.85 2wql h PRO 63 Cb 1.36 -0.22 -0.26 0.00 0.11 0.00 0.00 31.00 32.00 2wql h PRO 63 CO 0.48 0.82 -0.68 0.42 -0.21 0.00 0.00 178.00 178.83 2wql s ILE 64 N -5.71 3.75 -0.15 4.15 1.01 -1.26 -4.97 121.20 118.02 2wql s ILE 64 Ca -0.12 -0.36 0.18 0.00 0.00 0.00 0.00 60.65 60.35 2wql s ILE 64 Cb 0.17 -2.73 -0.25 0.00 0.01 0.00 0.00 42.46 39.65 2wql s ILE 64 CO 0.81 0.39 0.25 0.35 0.00 0.00 0.00 174.94 176.74 2wql n THR 65 N 4.85 1.16 -3.80 2.92 -2.24 -1.26 -4.62 114.28 111.28 2wql n THR 65 Ca -0.17 -0.78 -0.13 0.00 -2.27 0.00 0.00 64.05 60.70 2wql n THR 65 Cb 0.51 -0.45 -0.13 0.00 -2.10 0.00 0.00 70.33 68.16 2wql n THR 65 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2wql s THR 66 N -2.71 -0.01 -0.07 4.28 -4.23 -1.26 -0.65 115.64 111.00 2wql s THR 66 Ca -0.09 0.04 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 2wql s THR 66 Cb 0.08 -0.23 0.02 0.00 1.34 0.00 0.00 72.50 73.70 2wql s THR 66 CO 0.84 0.02 0.23 0.00 -0.54 0.00 0.00 174.62 175.16 2wql s MET 67 N 0.33 0.33 -0.18 3.99 0.00 -0.53 -2.09 119.30 121.14 2wql s MET 67 Ca -0.02 0.18 -0.02 0.00 0.00 0.00 0.00 55.69 55.84 2wql s MET 67 Cb -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 34.83 34.95 2wql s MET 67 CO -0.01 -0.06 -0.11 0.99 0.00 0.00 0.00 175.02 175.83 2wql s THR 68 N -0.20 2.95 -0.10 3.16 2.01 -0.32 -0.39 115.64 122.75 2wql s THR 68 Ca -0.03 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.34 2wql s THR 68 Cb -0.03 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.20 2wql s THR 68 CO 0.01 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.55 2wql s VAL 69 N 1.12 1.66 -0.15 3.82 1.01 -0.08 -1.12 120.40 126.66 2wql s VAL 69 Ca 0.01 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2wql s VAL 69 Cb -0.14 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 2wql s VAL 69 CO -0.03 0.47 0.09 -0.60 0.00 0.00 0.00 175.10 175.03 2wql s ARG 70 N 0.72 3.69 -0.20 2.72 3.52 0.35 -0.54 118.95 129.21 2wql s ARG 70 Ca -0.12 -0.26 -0.26 0.00 -0.13 0.00 0.00 55.73 54.97 2wql s ARG 70 Cb -0.16 -3.18 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 2wql s ARG 70 CO 0.02 0.51 0.86 0.99 -0.81 0.00 0.00 175.30 176.87 2wql s THR 71 N -0.29 4.84 -0.09 4.11 2.01 0.43 -0.61 115.64 126.05 2wql s THR 71 Ca 0.10 1.66 0.05 0.00 0.31 0.00 0.00 61.69 63.81 2wql s THR 71 Cb -0.12 -4.15 -0.24 0.00 0.01 0.00 0.00 72.50 68.00 2wql s THR 71 CO 0.01 -0.03 0.49 0.47 -0.69 0.00 0.00 174.62 174.87 2wql n ASP 72 N 5.60 1.35 -3.63 3.53 8.00 0.06 -0.77 116.55 130.69 2wql n ASP 72 Ca 0.06 0.30 -0.11 0.00 0.71 0.00 0.00 54.79 55.75 2wql n ASP 72 Cb 0.48 -0.33 -0.07 0.00 -0.02 0.00 0.00 41.12 41.18 2wql n ASP 72 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 73 N -2.57 -1.92 -0.03 2.24 0.00 -1.03 -4.68 121.76 113.77 2wql s ALA 73 Ca -0.13 1.86 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2wql s ALA 73 Cb 0.07 -1.25 -0.00 0.00 0.00 0.00 0.00 23.12 21.94 2wql s ALA 73 CO 0.80 -0.27 -0.12 0.08 0.00 0.00 0.00 175.76 176.24 2wql s VAL 74 N 0.08 1.04 -0.33 0.00 1.01 -1.26 -1.05 120.40 119.89 2wql s VAL 74 Ca 0.01 -0.52 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2wql s VAL 74 Cb -0.04 -0.90 0.10 0.00 0.00 0.00 0.00 36.38 35.54 2wql s VAL 74 CO -0.03 0.31 0.11 0.21 0.00 0.00 0.00 175.10 175.69 2wql s ASN 75 N 0.03 4.11 0.43 3.32 3.84 -0.60 -4.98 114.94 121.10 2wql s ASN 75 Ca -0.01 -1.84 0.12 0.00 0.21 0.00 0.00 52.86 51.34 2wql s ASN 75 Cb -0.09 -1.01 0.96 0.00 -0.55 0.00 0.00 41.25 40.56 2wql s ASN 75 CO 0.01 -0.39 1.99 0.11 -2.79 0.00 0.00 177.10 176.03 2wql h LYS 76 N 7.85 0.12 0.06 0.43 1.57 -1.98 -0.59 116.57 124.03 2wql h LYS 76 Ca -0.11 -0.02 -0.29 0.00 -1.87 0.00 0.00 60.65 58.37 2wql h LYS 76 Cb 1.00 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 2wql h LYS 76 CO 0.48 0.23 -1.51 0.93 -0.57 0.00 0.00 179.45 179.02 2wql h GLU 77 N 0.12 0.13 -0.01 3.15 5.08 -1.95 -3.28 114.58 117.81 2wql h GLU 77 Ca 0.03 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 2wql h GLU 77 Cb 0.27 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2wql h GLU 77 CO 0.02 0.92 -0.23 0.00 -1.00 0.00 0.00 179.01 178.71 2wql n ALA 78 N -2.59 3.01 -3.69 3.43 0.00 -1.12 -4.96 120.51 114.60 2wql n ALA 78 Ca -0.14 -0.35 -0.24 0.00 0.00 0.00 0.00 53.44 52.71 2wql n ALA 78 Cb 1.03 -1.20 0.05 0.00 0.00 0.00 0.00 19.45 19.33 2wql n ALA 78 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wql n LEU 79 N -0.85 -3.20 -4.46 0.00 4.77 -0.26 -4.68 117.00 108.32 2wql n LEU 79 Ca 0.12 -0.70 -0.28 0.00 -0.03 0.00 0.00 56.01 55.13 2wql n LEU 79 Cb 0.33 -2.82 -0.11 0.00 -2.33 0.00 0.00 43.42 38.48 2wql n LEU 79 CO 0.26 0.49 -0.51 -0.94 -1.33 0.00 0.00 177.39 175.36 2wql s SER 80 N -3.79 3.65 -0.12 -1.43 1.04 -1.03 -1.39 113.70 110.63 2wql s SER 80 Ca 0.35 -0.74 -0.06 0.00 0.48 0.00 0.00 55.95 55.98 2wql s SER 80 Cb -0.16 -0.39 0.05 0.00 0.10 0.00 0.00 66.02 65.62 2wql s SER 80 CO 0.78 0.14 0.28 -0.47 0.98 0.00 0.00 173.24 174.95 2wql s TYR 81 N -1.47 -0.41 -0.07 5.02 5.04 -0.00 -1.55 117.35 123.90 2wql s TYR 81 Ca 0.20 0.94 0.05 0.00 -2.44 0.00 0.00 57.07 55.81 2wql s TYR 81 Cb -0.09 0.08 -0.01 0.00 0.35 0.00 0.00 41.96 42.29 2wql s TYR 81 CO 0.10 -0.29 -0.23 -0.51 -1.34 0.00 0.00 175.55 173.29 2wql s ASP 82 N 1.58 3.24 0.06 4.32 1.01 -0.22 0.17 116.67 126.85 2wql s ASP 82 Ca -0.07 -0.48 -0.18 0.00 0.71 0.00 0.00 52.55 52.53 2wql s ASP 82 Cb -0.10 -1.05 0.04 0.00 1.01 0.00 0.00 42.92 42.82 2wql s ASP 82 CO -0.09 0.23 0.42 -0.94 0.21 0.00 0.00 175.17 175.00 2wql s SER 83 N -0.04 -0.29 -0.05 0.27 1.04 -0.65 -0.76 113.70 113.22 2wql s SER 83 Ca -0.07 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.35 2wql s SER 83 Cb -0.15 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.42 2wql s SER 83 CO 0.05 -0.72 -0.16 -0.89 0.98 0.00 0.00 173.24 172.50 2wql s THR 84 N -2.80 1.33 -0.24 2.02 2.01 0.22 -0.22 115.64 117.97 2wql s THR 84 Ca -0.03 -0.65 -0.23 0.00 0.31 0.00 0.00 61.69 61.09 2wql s THR 84 Cb -0.00 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 71.34 2wql s THR 84 CO -0.05 0.39 0.76 -0.69 -0.69 0.00 0.00 174.62 174.34 2wql s VAL 85 N 0.16 4.90 -0.15 3.82 1.01 -0.04 -0.49 120.40 129.60 2wql s VAL 85 Ca -0.06 1.42 0.03 0.00 0.00 0.00 0.00 61.98 63.38 2wql s VAL 85 Cb -0.12 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2wql s VAL 85 CO 0.02 -0.02 0.14 2.30 0.00 0.00 0.00 175.10 177.54 2wql n ILE 86 N 5.14 0.00 -3.59 2.22 -5.35 -0.27 -1.83 119.36 115.68 2wql n ILE 86 Ca 0.03 -0.40 -0.10 0.00 -0.27 0.00 0.00 62.75 62.01 2wql n ILE 86 Cb 0.48 0.96 -0.03 0.00 -1.74 0.00 0.00 39.64 39.32 2wql n ILE 86 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2wql s ASP 87 N -1.39 -0.42 0.00 7.28 2.15 -1.22 -4.92 116.67 118.15 2wql s ASP 87 Ca 0.01 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.75 2wql s ASP 87 Cb 0.03 0.61 0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2wql s ASP 87 CO 0.14 -1.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.70 2wql n GLY 88 N -0.37 2.81 0.00 2.66 0.00 -1.26 -1.18 105.19 107.85 2wql n GLY 88 Ca -0.13 -2.05 0.08 0.00 0.00 0.00 0.00 46.02 43.91 2wql n GLY 88 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wql n ASP 89 N 0.00 0.00 0.13 1.61 5.68 -0.89 -1.74 116.55 121.34 2wql n ASP 89 Ca 0.00 0.45 0.16 0.00 -0.50 0.00 0.00 54.79 54.90 2wql n ASP 89 Cb 0.00 -0.48 0.72 0.00 -1.14 0.00 0.00 41.12 40.22 2wql n ASP 89 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wql h ILE 90 N 0.00 0.73 0.00 2.12 2.10 -1.85 -1.26 117.51 119.35 2wql h ILE 90 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 2wql h ILE 90 Cb 0.26 0.84 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 2wql h ILE 90 CO 0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 2wql n LEU 91 N -4.26 0.00 0.00 2.19 4.77 -0.71 -5.00 117.00 114.00 2wql n LEU 91 Ca 0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 2wql n LEU 91 Cb 0.39 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 2wql n LEU 91 CO 0.33 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.57 2wql n LEU 92 N -0.92 0.00 0.01 2.23 4.77 -0.48 -1.60 117.00 121.01 2wql n LEU 92 Ca 0.18 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.28 2wql n LEU 92 Cb 0.08 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.47 2wql n LEU 92 CO 0.13 0.00 0.52 0.61 -1.33 0.00 0.00 177.39 177.32 2wql n GLY 93 N 0.00 -1.32 0.00 -0.72 0.00 -1.26 -4.69 105.19 97.20 2wql n GLY 93 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2wql n GLY 93 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wql n PHE 94 N -1.61 0.00 -2.79 1.61 1.16 -1.06 -5.04 117.46 109.74 2wql n PHE 94 Ca 0.05 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.21 2wql n PHE 94 Cb 0.35 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.19 2wql n PHE 94 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wql s ILE 95 N 0.00 4.82 -0.01 1.97 1.01 -0.63 -3.16 121.20 125.20 2wql s ILE 95 Ca 0.00 1.82 -0.23 0.00 0.00 0.00 0.00 60.65 62.25 2wql s ILE 95 Cb 0.00 -4.22 -0.19 0.00 0.01 0.00 0.00 42.46 38.06 2wql s ILE 95 CO 0.00 -0.01 1.19 -0.33 0.00 0.00 0.00 174.94 175.80 2wql h GLU 96 N 7.26 0.24 -2.25 2.79 5.08 -0.80 -3.46 114.58 123.44 2wql h GLU 96 Ca -0.29 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 2wql h GLU 96 Cb 1.13 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.24 2wql h GLU 96 CO 0.86 0.81 0.26 -1.54 -1.00 0.00 0.00 179.01 178.39 2wql s SER 97 N -6.19 -0.58 -0.37 1.42 1.04 -1.13 -4.82 113.70 103.06 2wql s SER 97 Ca -0.15 0.43 -0.03 0.00 0.48 0.00 0.00 55.95 56.68 2wql s SER 97 Cb 0.03 0.52 0.09 0.00 0.10 0.00 0.00 66.02 66.76 2wql s SER 97 CO 0.74 -0.68 0.14 -0.63 0.98 0.00 0.00 173.24 173.79 2wql s ILE 98 N -2.04 3.29 -0.16 -1.02 1.01 -0.76 -1.36 121.20 120.16 2wql s ILE 98 Ca -0.05 -1.77 -0.23 0.00 0.00 0.00 0.00 60.65 58.59 2wql s ILE 98 Cb -0.00 -3.12 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2wql s ILE 98 CO 0.01 -0.49 0.73 -0.70 0.00 0.00 0.00 174.94 174.49 2wql s GLU 99 N 1.21 4.29 0.08 2.79 2.12 -0.14 -0.86 118.70 128.19 2wql s GLU 99 Ca 0.04 0.83 0.08 0.00 0.36 0.00 0.00 54.97 56.28 2wql s GLU 99 Cb -0.22 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2wql s GLU 99 CO -0.02 -0.21 -0.21 0.95 -0.54 0.00 0.00 175.26 175.23 2wql s THR 100 N 1.77 1.72 -0.06 -1.70 -4.23 0.70 0.16 115.64 113.99 2wql s THR 100 Ca 0.34 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.40 2wql s THR 100 Cb -0.16 -1.54 0.03 0.00 1.34 0.00 0.00 72.50 72.17 2wql s THR 100 CO 0.13 0.03 0.01 -1.00 -0.54 0.00 0.00 174.62 173.25 2wql s HIS 101 N -1.04 0.51 0.01 3.99 3.76 -0.02 -1.63 115.29 120.86 2wql s HIS 101 Ca 0.07 -0.07 0.08 0.00 -0.15 0.00 0.00 55.06 54.99 2wql s HIS 101 Cb -0.10 -0.69 -0.02 0.00 1.11 0.00 0.00 32.58 32.89 2wql s HIS 101 CO 0.03 -0.27 -0.24 1.41 -0.85 0.00 0.00 174.74 174.83 2wql s MET 102 N 1.84 1.81 0.00 1.40 1.75 0.13 -0.96 119.30 125.27 2wql s MET 102 Ca 0.02 -0.92 0.01 0.00 -1.25 0.00 0.00 55.69 53.56 2wql s MET 102 Cb -0.12 -1.83 -0.01 0.00 2.84 0.00 0.00 34.83 35.71 2wql s MET 102 CO -0.04 0.49 -0.04 0.54 -0.65 0.00 0.00 175.02 175.32 2wql s VAL 103 N -0.65 0.32 -0.30 10.11 0.11 -0.39 -0.82 120.40 128.79 2wql s VAL 103 Ca 0.09 -0.32 -0.06 0.00 -2.93 0.00 0.00 61.98 58.77 2wql s VAL 103 Cb -0.09 -0.30 0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2wql s VAL 103 CO 0.00 -0.00 0.07 -0.69 -3.33 0.00 0.00 175.10 171.15 2wql s VAL 104 N -0.32 3.76 -0.07 2.04 1.01 -0.48 -0.89 120.40 125.45 2wql s VAL 104 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.13 2wql s VAL 104 Cb -0.03 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2wql s VAL 104 CO -0.00 0.03 -0.06 0.68 0.00 0.00 0.00 175.10 175.75 2wql s VAL 105 N 1.45 3.74 0.64 2.92 -7.23 0.13 -4.82 120.40 117.23 2wql s VAL 105 Ca 0.01 -0.46 -0.13 0.00 -1.81 0.00 0.00 61.98 59.59 2wql s VAL 105 Cb -0.18 -2.53 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 2wql s VAL 105 CO 0.02 0.60 1.05 -2.16 -0.31 0.00 0.00 175.10 174.30 2wql s PRO 106 N -0.81 3.18 0.19 4.82 0.04 -1.26 -0.97 135.00 140.19 2wql s PRO 106 Ca 0.12 1.02 0.11 0.00 0.04 0.00 0.00 61.00 62.29 2wql s PRO 106 Cb -0.11 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2wql s PRO 106 CO 0.01 -0.91 -0.24 0.99 0.04 0.00 0.00 177.00 176.90 2wql s THR 107 N -2.84 2.39 0.47 1.26 2.01 -0.54 -4.81 115.64 113.58 2wql s THR 107 Ca 0.60 -1.98 0.25 0.00 0.31 0.00 0.00 61.69 60.86 2wql s THR 107 Cb -0.14 -2.14 0.44 0.00 0.01 0.00 0.00 72.50 70.67 2wql s THR 107 CO 0.47 -0.09 1.85 0.00 -0.69 0.00 0.00 174.62 176.16 2wql h ALA 108 N 3.26 2.54 0.00 7.40 0.00 -1.98 -0.68 119.26 129.80 2wql h ALA 108 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2wql h ALA 108 Cb 1.20 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2wql h ALA 108 CO 0.47 -0.84 0.00 -0.40 0.00 0.00 0.00 179.25 178.48 2wql n ASP 109 N -4.41 0.00 0.00 0.00 5.68 -1.26 -4.87 116.55 111.70 2wql n ASP 109 Ca 0.20 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.25 2wql n ASP 109 Cb 0.88 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.86 2wql n ASP 109 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wql n GLY 110 N 0.86 0.83 0.00 6.12 0.00 -0.26 -5.04 105.19 107.70 2wql n GLY 110 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2wql n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wql n GLY 111 N -2.00 1.33 3.39 -0.02 0.00 -1.25 -3.65 105.19 102.99 2wql n GLY 111 Ca 0.00 -1.80 -0.11 0.00 0.00 0.00 0.00 46.02 44.11 2wql n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wql s SER 112 N -1.00 -0.32 -0.12 1.61 1.04 -0.49 -1.47 113.70 112.95 2wql s SER 112 Ca 0.00 -0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.16 2wql s SER 112 Cb 0.00 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2wql s SER 112 CO 0.00 -0.93 -0.18 -0.63 0.98 0.00 0.00 173.24 172.48 2wql s ILE 113 N -3.81 1.73 -0.37 -1.02 1.01 -0.14 -1.43 121.20 117.17 2wql s ILE 113 Ca 0.04 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.79 2wql s ILE 113 Cb 0.00 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.94 2wql s ILE 113 CO -0.10 0.49 0.22 -0.89 0.00 0.00 0.00 174.94 174.65 2wql s THR 114 N 0.89 4.75 -0.11 2.92 2.01 -0.12 -0.69 115.64 125.29 2wql s THR 114 Ca -0.07 -0.70 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 2wql s THR 114 Cb -0.15 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2wql s THR 114 CO -0.01 -0.18 0.07 -0.75 -0.69 0.00 0.00 174.62 173.06 2wql s LYS 115 N 1.60 3.30 -0.05 4.92 2.20 -0.07 -1.31 119.74 130.33 2wql s LYS 115 Ca 0.03 -0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.38 2wql s LYS 115 Cb -0.19 -3.02 0.02 0.00 -1.51 0.00 0.00 37.83 33.14 2wql s LYS 115 CO 0.07 0.68 -0.06 0.99 -0.36 0.00 0.00 175.35 176.68 2wql s THR 116 N -0.79 0.62 -0.17 3.43 2.01 0.03 -1.26 115.64 119.51 2wql s THR 116 Ca 0.13 -0.17 -0.04 0.00 0.31 0.00 0.00 61.69 61.91 2wql s THR 116 Cb -0.12 -0.63 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 2wql s THR 116 CO 0.03 0.24 -0.02 -0.89 -0.69 0.00 0.00 174.62 173.29 2wql s THR 117 N 0.87 3.98 -0.10 -0.82 2.01 -0.13 -0.74 115.64 120.71 2wql s THR 117 Ca -0.12 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2wql s THR 117 Cb -0.15 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 2wql s THR 117 CO 0.01 0.48 -0.12 0.00 -0.69 0.00 0.00 174.62 174.29 2wql s ALA 118 N 0.51 2.70 -0.17 7.40 0.00 0.46 -0.85 121.76 131.81 2wql s ALA 118 Ca -0.02 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2wql s ALA 118 Cb -0.14 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.85 2wql s ALA 118 CO 0.02 0.39 -0.19 0.42 0.00 0.00 0.00 175.76 176.41 2wql s ILE 119 N -0.17 1.98 -0.36 0.00 1.01 0.12 -1.05 121.20 122.73 2wql s ILE 119 Ca 0.00 -0.89 -0.15 0.00 0.00 0.00 0.00 60.65 59.61 2wql s ILE 119 Cb -0.13 -1.79 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 2wql s ILE 119 CO 0.03 0.53 0.36 -0.36 0.00 0.00 0.00 174.94 175.50 2wql s PHE 120 N 1.31 3.21 -0.35 3.97 0.40 -0.26 -0.97 117.98 125.29 2wql s PHE 120 Ca 0.05 -0.11 -0.18 0.00 -0.60 0.00 0.00 56.93 56.09 2wql s PHE 120 Cb -0.13 -2.68 -0.00 0.00 0.51 0.00 0.00 43.02 40.72 2wql s PHE 120 CO -0.12 -0.47 0.49 -1.01 0.70 0.00 0.00 175.22 174.80 2wql s HIS 121 N 1.99 3.19 0.21 0.36 3.76 -0.47 -3.94 115.29 120.39 2wql s HIS 121 Ca 0.11 0.14 0.10 0.00 -0.15 0.00 0.00 55.06 55.26 2wql s HIS 121 Cb -0.17 -2.88 -0.05 0.00 1.11 0.00 0.00 32.58 30.60 2wql s HIS 121 CO 0.12 -0.52 -0.20 0.95 -0.85 0.00 0.00 174.74 174.24 2wql s THR 122 N 2.33 2.15 0.01 1.30 -4.23 -1.26 -0.06 115.64 115.88 2wql s THR 122 Ca 0.17 -2.12 -0.30 0.00 -1.18 0.00 0.00 61.69 58.26 2wql s THR 122 Cb -0.16 -2.08 -0.05 0.00 1.34 0.00 0.00 72.50 71.55 2wql s THR 122 CO 0.13 -0.31 1.28 -0.54 -0.54 0.00 0.00 174.62 174.63 2wql s LYS 123 N -3.06 4.35 5.20 3.99 1.02 -1.19 -4.82 119.74 125.23 2wql s LYS 123 Ca 0.22 1.83 0.00 0.00 0.02 0.00 0.00 55.97 58.04 2wql s LYS 123 Cb -0.06 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.78 2wql s LYS 123 CO 0.10 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.51 2wql n GLY 124 N 3.42 1.99 1.48 -3.33 0.00 -1.26 -3.04 105.19 104.45 2wql n GLY 124 Ca 0.11 -0.57 0.06 0.00 0.00 0.00 0.00 46.02 45.61 2wql n GLY 124 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wql n ASP 125 N 1.79 4.37 -4.74 1.61 8.00 -1.26 -4.99 116.55 121.32 2wql n ASP 125 Ca 0.00 -2.60 -0.42 0.00 0.71 0.00 0.00 54.79 52.49 2wql n ASP 125 Cb 0.00 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.12 40.48 2wql n ASP 125 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wql s ALA 126 N -2.17 3.71 -0.10 2.24 0.00 -1.17 -5.00 121.76 119.28 2wql s ALA 126 Ca 0.41 1.43 -0.01 0.00 0.00 0.00 0.00 51.96 53.79 2wql s ALA 126 Cb 0.30 -3.61 -0.03 0.00 0.00 0.00 0.00 23.12 19.78 2wql s ALA 126 CO 0.14 -0.84 -0.05 0.08 0.00 0.00 0.00 175.76 175.10 2wql s VAL 127 N 0.27 3.84 -0.22 0.00 1.01 -1.26 -4.79 120.40 119.25 2wql s VAL 127 Ca 0.63 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 2wql s VAL 127 Cb -0.45 -2.61 0.01 0.00 0.00 0.00 0.00 36.38 33.33 2wql s VAL 127 CO 0.42 0.57 1.06 -0.69 0.00 0.00 0.00 175.10 176.45 2wql s VAL 128 N -0.43 4.65 0.65 2.92 1.01 -1.26 -5.01 120.40 122.93 2wql s VAL 128 Ca 0.07 1.99 -0.17 0.00 0.00 0.00 0.00 61.98 63.87 2wql s VAL 128 Cb -0.12 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.97 2wql s VAL 128 CO 0.02 -0.17 1.21 -2.84 0.00 0.00 0.00 175.10 173.33 2wql s PRO 129 N 3.15 2.65 0.35 2.72 0.02 -1.26 -4.90 135.00 137.73 2wql s PRO 129 Ca 0.45 1.80 0.04 0.00 0.02 0.00 0.00 61.00 63.31 2wql s PRO 129 Cb -0.16 -1.89 0.68 0.00 0.02 0.00 0.00 34.50 33.15 2wql s PRO 129 CO 0.07 -1.45 1.96 1.49 -0.33 0.00 0.00 177.00 178.75 2wql h GLU 130 N 0.41 0.80 -0.96 5.54 4.57 -2.00 -2.53 114.58 120.42 2wql h GLU 130 Ca -0.49 -0.05 0.02 0.00 -1.18 0.00 0.00 59.36 57.66 2wql h GLU 130 Cb 1.30 -0.18 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 2wql h GLU 130 CO 0.53 0.53 0.63 1.05 -1.18 0.00 0.00 179.01 180.57 2wql h GLU 131 N 0.82 1.21 -0.02 1.92 4.11 -2.00 -0.95 114.58 119.68 2wql h GLU 131 Ca 0.31 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 59.55 2wql h GLU 131 Cb 0.17 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2wql h GLU 131 CO -0.10 0.80 -0.53 -0.91 0.07 0.00 0.00 179.01 178.34 2wql h ASN 132 N 1.25 0.07 -0.10 3.06 4.21 -1.82 -1.63 115.58 120.62 2wql h ASN 132 Ca 0.37 -0.04 -0.08 0.00 1.21 0.00 0.00 56.30 57.76 2wql h ASN 132 Cb -0.07 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.11 2wql h ASN 132 CO -0.10 0.59 -0.25 0.40 -1.29 0.00 0.00 177.43 176.78 2wql h ILE 133 N 0.05 1.40 -0.92 2.81 2.04 -1.37 -2.71 117.51 118.81 2wql h ILE 133 Ca -0.00 -1.57 0.05 0.00 1.00 0.00 0.00 64.86 64.34 2wql h ILE 133 Cb 0.96 2.16 -0.06 0.00 -0.74 0.00 0.00 36.82 39.14 2wql h ILE 133 CO 0.07 0.45 0.59 0.11 0.00 0.00 0.00 178.15 179.37 2wql h LYS 134 N -0.10 1.06 0.04 2.37 1.57 -1.07 -1.49 116.57 118.95 2wql h LYS 134 Ca -0.00 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2wql h LYS 134 Cb 0.86 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2wql h LYS 134 CO 0.05 0.70 -0.08 0.35 -0.57 0.00 0.00 179.45 179.90 2wql h PHE 135 N 1.09 -0.21 -0.59 -1.35 3.57 -1.30 -0.89 116.94 117.25 2wql h PHE 135 Ca 0.39 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.96 2wql h PHE 135 Cb 0.11 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.89 2wql h PHE 135 CO -0.02 -0.13 0.29 0.00 -2.23 0.00 0.00 178.31 176.22 2wql h ALA 136 N 0.78 0.78 -0.67 2.41 0.00 -1.14 -1.57 119.26 119.84 2wql h ALA 136 Ca 0.02 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.99 2wql h ALA 136 Cb 0.19 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2wql h ALA 136 CO -0.06 -0.08 0.43 -0.44 0.00 0.00 0.00 179.25 179.10 2wql h ASP 137 N 0.53 0.71 -0.31 0.00 3.32 -0.81 0.06 116.42 119.91 2wql h ASP 137 Ca 0.28 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.32 2wql h ASP 137 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2wql h ASP 137 CO -0.22 0.50 0.17 0.00 -1.72 0.00 0.00 179.24 177.97 2wql h ALA 138 N 1.28 0.40 -0.12 3.45 0.00 -0.75 -1.31 119.26 122.21 2wql h ALA 138 Ca 0.26 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.90 2wql h ALA 138 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wql h ALA 138 CO -0.09 -0.07 -0.74 0.37 0.00 0.00 0.00 179.25 178.72 2wql h GLN 139 N 0.38 0.58 -0.33 0.00 4.15 -0.93 0.58 115.11 119.54 2wql h GLN 139 Ca 0.11 -0.46 -0.12 0.00 0.77 0.00 0.00 58.65 58.95 2wql h GLN 139 Cb 0.07 0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2wql h GLN 139 CO -0.02 1.09 -0.27 -0.91 -1.93 0.00 0.00 178.83 176.79 2wql h ASN 140 N 0.40 0.68 -0.35 -0.69 2.35 -0.99 -2.05 115.58 114.93 2wql h ASN 140 Ca -0.04 -0.26 -0.12 0.00 -0.55 0.00 0.00 56.30 55.33 2wql h ASN 140 Cb 1.33 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 39.51 2wql h ASN 140 CO 0.14 0.93 -0.25 0.74 -1.65 0.00 0.00 177.43 177.33 2wql h THR 141 N 0.58 1.29 -0.45 2.81 2.02 -0.99 -0.34 112.91 117.82 2wql h THR 141 Ca 0.07 -1.41 0.08 0.00 0.77 0.00 0.00 66.41 65.92 2wql h THR 141 Cb 0.76 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 2wql h THR 141 CO 0.06 0.46 0.07 0.00 0.37 0.00 0.00 175.52 176.49 2wql h ALA 142 N 0.76 0.49 -0.26 6.16 0.00 -0.72 -0.18 119.26 125.51 2wql h ALA 142 Ca 0.07 0.10 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2wql h ALA 142 Cb 0.82 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wql h ALA 142 CO 0.07 -0.33 -0.19 1.25 0.00 0.00 0.00 179.25 180.05 2wql h LEU 143 N 0.20 0.62 -0.44 0.00 5.85 -1.30 -1.92 115.31 118.34 2wql h LEU 143 Ca 0.22 -0.44 0.09 0.00 0.84 0.00 0.00 57.88 58.59 2wql h LEU 143 Cb 0.29 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 2wql h LEU 143 CO -0.31 0.93 -0.09 0.15 -0.34 0.00 0.00 178.44 178.78 2wql h PHE 144 N 0.32 -0.20 -0.01 1.25 3.57 -0.66 -1.67 116.94 119.53 2wql h PHE 144 Ca 0.05 0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.45 2wql h PHE 144 Cb 0.73 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.61 2wql h PHE 144 CO 0.07 -0.17 -0.63 0.87 -2.23 0.00 0.00 178.31 176.22 2wql h LYS 145 N 0.02 0.03 -0.67 1.11 1.79 -0.95 0.81 116.57 118.71 2wql h LYS 145 Ca 0.21 -0.02 -0.03 0.00 -2.18 0.00 0.00 60.65 58.62 2wql h LYS 145 Cb 0.32 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.95 2wql h LYS 145 CO -0.44 0.65 0.29 0.00 -1.08 0.00 0.00 179.45 178.87 2wql h ALA 146 N 1.35 0.86 -0.26 3.86 0.00 -0.97 -1.19 119.26 122.90 2wql h ALA 146 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 2wql h ALA 146 Cb 1.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wql h ALA 146 CO 0.08 0.46 -0.07 0.82 0.00 0.00 0.00 179.25 180.54 2wql h ILE 147 N 0.94 1.29 -0.84 0.00 2.04 -0.76 -2.44 117.51 117.73 2wql h ILE 147 Ca 0.22 -1.10 0.15 0.00 1.00 0.00 0.00 64.86 65.14 2wql h ILE 147 Cb 0.17 1.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.62 2wql h ILE 147 CO -0.02 0.35 0.41 -0.08 0.00 0.00 0.00 178.15 178.81 2wql h GLU 148 N 0.26 0.56 -0.48 2.37 4.81 -0.74 -0.50 114.58 120.87 2wql h GLU 148 Ca 0.07 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2wql h GLU 148 Cb 0.55 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2wql h GLU 148 CO 0.03 0.37 0.29 0.00 -0.73 0.00 0.00 179.01 178.97 2wql h ALA 149 N 1.57 0.61 -0.67 2.92 0.00 -0.98 -1.33 119.26 121.37 2wql h ALA 149 Ca 0.46 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 2wql h ALA 149 Cb 0.69 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2wql h ALA 149 CO -0.38 0.09 0.30 -0.92 0.00 0.00 0.00 179.25 178.33 2wql h TYR 150 N 0.64 1.00 -0.64 0.00 3.20 -0.81 -2.73 116.97 117.62 2wql h TYR 150 Ca 0.17 -0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 2wql h TYR 150 Cb -0.02 -0.30 -0.03 0.00 1.54 0.00 0.00 36.73 37.92 2wql h TYR 150 CO -0.03 0.76 0.15 -0.07 -1.64 0.00 0.00 178.16 177.33 2wql h LEU 151 N 0.94 0.95 -1.32 2.82 3.38 -0.84 -1.25 115.31 119.99 2wql h LEU 151 Ca 0.23 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 2wql h LEU 151 Cb 0.16 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2wql h LEU 151 CO -0.02 0.92 -0.27 0.40 0.09 0.00 0.00 178.44 179.56 2wql h ILE 152 N 0.96 1.22 0.00 1.22 2.04 -1.08 -3.11 117.51 118.77 2wql h ILE 152 Ca 0.20 -1.04 0.00 0.00 1.00 0.00 0.00 64.86 65.02 2wql h ILE 152 Cb 0.35 1.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2wql h ILE 152 CO 0.00 0.31 -1.09 0.00 0.00 0.00 0.00 178.15 177.37 2wql n ALA 153 N -2.48 2.62 -0.52 1.87 0.00 -1.04 -5.12 120.51 115.84 2wql n ALA 153 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2wql n ALA 153 Cb 0.34 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.73 2wql n ALA 153 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59