#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wyl s SER 2 N 0.00 2.87 0.44 1.61 0.15 -1.26 -5.09 113.70 112.42 1wyl s SER 2 Ca 0.00 0.89 0.03 0.00 0.70 0.00 0.00 55.95 57.57 1wyl s SER 2 Cb 0.00 -1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 62.90 1wyl s SER 2 CO 0.00 -2.94 0.05 -0.55 1.20 0.00 0.00 173.24 171.00 1wyl s SER 3 N -3.97 3.41 0.27 5.45 0.15 -1.26 -5.17 113.70 112.58 1wyl s SER 3 Ca 0.66 -1.58 -0.21 0.00 0.70 0.00 0.00 55.95 55.52 1wyl s SER 3 Cb -0.14 0.31 0.04 0.00 -1.71 0.00 0.00 66.02 64.52 1wyl s SER 3 CO 0.55 -0.79 0.82 -0.83 1.20 0.00 0.00 173.24 174.18 1wyl s GLY 4 N -3.71 0.01 0.21 9.45 0.00 -1.26 -5.14 107.32 106.87 1wyl s GLY 4 Ca 0.20 -0.32 -0.31 0.00 0.00 0.00 0.00 44.72 44.29 1wyl s GLY 4 CO 0.11 0.09 1.48 -0.56 0.00 0.00 0.00 173.10 174.22 1wyl s SER 5 N -3.00 6.64 -0.20 1.64 0.01 -1.26 -4.99 113.70 112.54 1wyl s SER 5 Ca 0.13 2.62 -0.11 0.00 1.31 0.00 0.00 55.95 59.91 1wyl s SER 5 Cb -0.04 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.53 1wyl s SER 5 CO 0.07 -0.74 0.17 -0.94 0.41 0.00 0.00 173.24 172.20 1wyl s SER 6 N 0.71 6.25 0.00 2.44 1.04 -1.26 -4.49 113.70 118.39 1wyl s SER 6 Ca 0.64 0.28 0.00 0.00 0.48 0.00 0.00 55.95 57.35 1wyl s SER 6 Cb -0.42 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1wyl s SER 6 CO 0.38 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.36 1wyl n GLY 7 N 3.55 0.59 3.22 7.32 0.00 -1.26 -5.09 105.19 113.51 1wyl n GLY 7 Ca -0.15 -0.41 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wyl s THR 8 N -2.88 0.01 -0.32 2.61 2.01 -1.26 -5.04 115.64 110.78 1wyl s THR 8 Ca 0.00 -0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1wyl s THR 8 Cb 0.00 -0.49 0.16 0.00 0.01 0.00 0.00 72.50 72.18 1wyl s THR 8 CO 0.00 -0.07 2.23 0.00 -0.69 0.00 0.00 174.62 176.09 1wyl n GLN 9 N 2.51 1.89 -0.07 4.92 10.64 -1.26 -4.37 117.38 131.64 1wyl n GLN 9 Ca -0.15 -1.63 -0.09 0.00 -1.83 0.00 0.00 57.00 53.30 1wyl n GLN 9 Cb 0.57 -1.71 -0.05 0.00 -0.86 0.00 0.00 30.24 28.19 1wyl n GLN 9 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1wyl h GLU 10 N 1.82 0.00 -0.16 2.61 4.81 -1.96 -3.14 114.58 118.55 1wyl h GLU 10 Ca 0.29 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1wyl h GLU 10 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1wyl h GLU 10 CO 0.73 0.40 0.02 1.49 -0.73 0.00 0.00 179.01 180.91 1wyl h GLU 11 N -1.00 0.22 -0.19 1.92 4.57 -1.97 -2.60 114.58 115.53 1wyl h GLU 11 Ca -0.09 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1wyl h GLU 11 Cb 0.66 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1wyl h GLU 11 CO -0.05 0.24 -0.10 1.25 -1.18 0.00 0.00 179.01 179.17 1wyl h LEU 12 N 0.22 0.42 0.00 1.64 5.85 -1.84 -2.70 115.31 118.90 1wyl h LEU 12 Ca 0.06 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1wyl h LEU 12 Cb 0.13 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1wyl h LEU 12 CO 0.00 0.74 0.00 -0.11 -0.34 0.00 0.00 178.44 178.73 1wyl n LEU 13 N -4.57 0.00 -0.36 2.25 7.94 -1.00 -1.18 117.00 120.09 1wyl n LEU 13 Ca -0.05 0.79 0.08 0.00 -1.11 0.00 0.00 56.01 55.72 1wyl n LEU 13 Cb 0.32 -0.29 0.17 0.00 0.53 0.00 0.00 43.42 44.15 1wyl n LEU 13 CO 0.39 -0.29 0.68 0.54 -1.11 0.00 0.00 177.39 177.60 1wyl n ARG 14 N -1.56 -0.09 -0.16 1.96 1.74 -1.12 0.63 116.66 118.07 1wyl n ARG 14 Ca 0.00 1.54 -0.02 0.00 -0.77 0.00 0.00 57.85 58.60 1wyl n ARG 14 Cb 0.00 -2.33 0.07 0.00 -1.02 0.00 0.00 32.46 29.18 1wyl n ARG 14 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1wyl h TRP 15 N 0.00 0.07 -0.62 -1.55 7.01 -1.34 -1.37 115.95 118.15 1wyl h TRP 15 Ca 0.50 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.52 1wyl h TRP 15 Cb 0.83 0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.91 1wyl h TRP 15 CO -0.72 -0.06 0.33 0.00 -2.79 0.00 0.00 178.44 175.20 1wyl h GLN 17 N 0.85 0.41 -0.60 0.00 4.20 -0.07 0.23 115.11 120.13 1wyl h GLN 17 Ca 0.22 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.82 1wyl h GLN 17 Cb 0.06 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1wyl h GLN 17 CO -0.03 0.27 0.04 0.93 -0.67 0.00 0.00 178.83 179.37 1wyl h GLU 18 N 0.43 1.02 0.60 1.46 4.39 -1.10 0.73 114.58 122.10 1wyl h GLU 18 Ca 0.41 -0.29 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 1wyl h GLU 18 Cb 0.63 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.17 1wyl h GLU 18 CO -0.41 0.97 -0.29 1.96 -1.16 0.00 0.00 179.01 180.08 1wyl h GLN 19 N 0.94 -0.78 -0.84 2.33 1.08 -0.68 -3.23 115.11 113.93 1wyl h GLN 19 Ca 0.18 0.05 0.07 0.00 -1.45 0.00 0.00 58.65 57.50 1wyl h GLN 19 Cb 0.49 0.18 -0.05 0.00 -0.05 0.00 0.00 27.48 28.04 1wyl h GLN 19 CO 0.02 -0.52 0.55 1.79 -0.95 0.00 0.00 178.83 179.72 1wyl h THR 20 N -1.13 1.04 -1.19 -0.54 1.35 -0.69 -3.44 112.91 108.30 1wyl h THR 20 Ca -0.08 -0.32 -0.56 0.00 -0.55 0.00 0.00 66.41 64.90 1wyl h THR 20 Cb 0.62 0.04 0.12 0.00 -1.73 0.00 0.00 68.15 67.19 1wyl h THR 20 CO 0.14 0.17 -0.66 0.00 -0.25 0.00 0.00 175.52 174.91 1wyl n ALA 21 N -2.42 -2.72 0.00 6.62 0.00 0.25 -2.40 120.51 119.85 1wyl n ALA 21 Ca 0.13 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1wyl n ALA 21 Cb 0.22 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1wyl n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyl n GLY 22 N 1.90 2.92 3.65 0.00 0.00 -1.26 -5.00 105.19 107.39 1wyl n GLY 22 Ca 0.12 -0.75 -0.50 0.00 0.00 0.00 0.00 46.02 44.89 1wyl n GLY 22 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wyl n TYR 23 N 0.00 2.01 -2.08 1.61 4.19 -1.01 -4.86 117.16 117.03 1wyl n TYR 23 Ca 0.00 0.37 -0.42 0.00 3.31 0.00 0.00 57.90 61.16 1wyl n TYR 23 Cb 0.00 -2.49 -0.03 0.00 0.49 0.00 0.00 39.34 37.32 1wyl n TYR 23 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 1wyl s PRO 24 N 1.71 3.27 0.00 2.98 0.04 -1.26 -2.67 135.00 139.07 1wyl s PRO 24 Ca 0.86 1.19 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1wyl s PRO 24 Cb -0.82 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 29.53 1wyl s PRO 24 CO 0.47 -1.94 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1wyl n GLY 25 N 5.39 1.67 2.85 0.56 0.00 -1.26 -5.09 105.19 109.31 1wyl n GLY 25 Ca 0.21 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1wyl n GLY 25 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wyl s VAL 26 N -2.00 0.94 -0.34 1.61 1.01 -1.09 -4.94 120.40 115.58 1wyl s VAL 26 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.38 1wyl s VAL 26 Cb 0.00 -1.21 0.11 0.00 0.00 0.00 0.00 36.38 35.28 1wyl s VAL 26 CO 0.00 0.03 0.13 -2.28 0.00 0.00 0.00 175.10 172.98 1wyl s HIS 27 N 1.69 1.88 -0.97 5.22 2.46 -1.26 -4.79 115.29 119.53 1wyl s HIS 27 Ca -0.00 -1.98 -0.18 0.00 0.47 0.00 0.00 55.06 53.37 1wyl s HIS 27 Cb -0.16 -1.82 0.13 0.00 -0.13 0.00 0.00 32.58 30.60 1wyl s HIS 27 CO -0.07 -0.86 1.19 0.08 -2.47 0.00 0.00 174.74 172.61 1wyl s VAL 28 N 1.26 4.70 -0.71 0.89 1.01 -1.26 -4.77 120.40 121.52 1wyl s VAL 28 Ca 0.12 -1.64 0.24 0.00 0.00 0.00 0.00 61.98 60.70 1wyl s VAL 28 Cb -0.19 -4.82 -0.04 0.00 0.00 0.00 0.00 36.38 31.33 1wyl s VAL 28 CO -0.17 -1.56 1.20 -0.24 0.00 0.00 0.00 175.10 174.33 1wyl n SER 29 N 6.63 0.63 -2.11 3.32 2.88 -1.26 -4.70 113.62 119.02 1wyl n SER 29 Ca 0.26 -0.13 -0.03 0.00 -1.33 0.00 0.00 58.87 57.64 1wyl n SER 29 Cb 0.49 0.47 0.01 0.00 -0.75 0.00 0.00 64.21 64.43 1wyl n SER 29 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1wyl n ASP 30 N -1.91 -1.07 -0.60 -3.46 5.68 -1.26 -5.05 116.55 108.88 1wyl n ASP 30 Ca 0.03 -1.66 0.05 0.00 -0.50 0.00 0.00 54.79 52.72 1wyl n ASP 30 Cb 0.41 1.76 0.19 0.00 -1.14 0.00 0.00 41.12 42.35 1wyl n ASP 30 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1wyl n LEU 31 N 0.00 3.02 -0.06 -2.12 4.32 -1.26 -4.31 117.00 116.59 1wyl n LEU 31 Ca -0.03 -3.59 -0.06 0.00 -0.02 0.00 0.00 56.01 52.32 1wyl n LEU 31 Cb 0.32 -0.53 -0.02 0.00 -1.62 0.00 0.00 43.42 41.57 1wyl n LEU 31 CO 0.13 1.13 -0.45 -0.24 -1.22 0.00 0.00 177.39 176.74 1wyl n SER 32 N -1.15 1.29 0.00 -1.43 2.88 -1.26 -4.66 113.62 109.28 1wyl n SER 32 Ca 0.21 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1wyl n SER 32 Cb 0.77 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.58 1wyl n SER 32 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wyl n SER 33 N -3.80 4.01 0.20 -3.46 2.88 -1.26 -4.54 113.62 107.66 1wyl n SER 33 Ca -0.09 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.61 1wyl n SER 33 Cb 0.34 0.75 0.66 0.00 -0.75 0.00 0.00 64.21 65.21 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wyl h SER 34 N 0.00 0.00 0.00 -3.46 0.02 -1.89 0.37 113.55 108.59 1wyl h SER 34 Ca 0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.76 1wyl h SER 34 Cb 0.10 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1wyl h SER 34 CO 0.00 0.00 -2.05 0.79 -1.14 0.00 0.00 176.83 174.43 1wyl n TRP 35 N -3.15 0.00 -0.33 3.45 7.02 -1.26 -4.50 117.44 118.67 1wyl n TRP 35 Ca 0.04 0.00 0.14 0.00 -1.02 0.00 0.00 57.50 56.66 1wyl n TRP 35 Cb 0.64 -0.68 0.29 0.00 -2.42 0.00 0.00 31.31 29.13 1wyl n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wyl h ALA 36 N 1.22 1.17 -1.00 6.99 0.00 -0.42 0.33 119.26 127.55 1wyl h ALA 36 Ca -0.28 0.31 0.31 0.00 0.00 0.00 0.00 54.91 55.26 1wyl h ALA 36 Cb 1.57 0.53 -0.18 0.00 0.00 0.00 0.00 17.79 19.71 1wyl h ALA 36 CO 0.02 -0.56 0.14 -0.44 0.00 0.00 0.00 179.25 178.41 1wyl h ASP 37 N 0.04 -0.31 0.00 0.00 3.32 -1.79 -3.35 116.42 114.34 1wyl h ASP 37 Ca 0.58 0.28 0.00 0.00 0.02 0.00 0.00 57.03 57.91 1wyl h ASP 37 Cb 1.20 0.45 0.00 0.00 0.22 0.00 0.00 39.33 41.19 1wyl h ASP 37 CO -0.86 -0.38 0.00 0.61 -1.72 0.00 0.00 179.24 176.89 1wyl n GLY 38 N -1.45 3.12 0.19 2.75 0.00 0.12 -4.20 105.19 105.73 1wyl n GLY 38 Ca 0.27 -1.06 -0.04 0.00 0.00 0.00 0.00 46.02 45.19 1wyl n GLY 38 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wyl h LEU 39 N 0.00 0.17 -0.64 0.99 3.38 -1.84 -2.90 115.31 114.47 1wyl h LEU 39 Ca 0.00 0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1wyl h LEU 39 Cb 0.00 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.72 1wyl h LEU 39 CO 0.00 0.13 -0.38 0.00 0.09 0.00 0.00 178.44 178.28 1wyl n ALA 40 N -2.41 -0.41 -0.36 1.53 0.00 -1.26 0.19 120.51 117.79 1wyl n ALA 40 Ca 0.05 0.54 0.05 0.00 0.00 0.00 0.00 53.44 54.08 1wyl n ALA 40 Cb 0.19 -0.06 0.21 0.00 0.00 0.00 0.00 19.45 19.78 1wyl n ALA 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyl h LEU 41 N 0.00 0.96 0.53 0.00 3.38 -1.79 -1.57 115.31 116.83 1wyl h LEU 41 Ca 0.10 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1wyl h LEU 41 Cb 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1wyl h LEU 41 CO -0.60 0.56 -0.26 0.00 0.09 0.00 0.00 178.44 178.23 1wyl h ALA 43 N -0.25 1.26 -0.67 0.00 0.00 -0.34 0.31 119.26 119.57 1wyl h ALA 43 Ca -0.07 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1wyl h ALA 43 Cb 0.56 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 1wyl h ALA 43 CO 0.12 0.05 0.32 1.25 0.00 0.00 0.00 179.25 180.98 1wyl h LEU 44 N 0.76 0.89 0.39 0.00 5.85 -1.05 -0.23 115.31 121.91 1wyl h LEU 44 Ca 0.44 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 59.00 1wyl h LEU 44 Cb 0.49 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1wyl h LEU 44 CO -0.29 0.77 -0.19 0.58 -0.34 0.00 0.00 178.44 178.98 1wyl h VAL 45 N 0.94 0.00 -0.76 1.05 2.07 0.02 -1.08 116.25 118.49 1wyl h VAL 45 Ca 0.23 -0.54 0.17 0.00 0.82 0.00 0.00 66.70 67.38 1wyl h VAL 45 Cb 0.13 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.78 1wyl h VAL 45 CO -0.03 0.00 0.19 1.88 0.02 0.00 0.00 177.57 179.63 1wyl h TYR 46 N -1.06 0.30 0.72 1.57 0.05 -0.48 -2.20 116.97 115.86 1wyl h TYR 46 Ca -0.05 0.04 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 1wyl h TYR 46 Cb 0.40 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 38.13 1wyl h TYR 46 CO 0.01 -0.09 -0.34 -0.09 -1.05 0.00 0.00 178.16 176.59 1wyl h ARG 47 N 0.27 -0.93 -0.79 4.88 9.65 -1.12 -3.18 114.38 123.17 1wyl h ARG 47 Ca 0.43 0.06 0.18 0.00 -1.10 0.00 0.00 59.98 59.55 1wyl h ARG 47 Cb 0.75 0.21 -0.15 0.00 -1.39 0.00 0.00 29.97 29.39 1wyl h ARG 47 CO -0.52 -0.62 -0.13 1.28 2.80 0.00 0.00 179.97 182.78 1wyl n LEU 48 N -5.28 -0.22 -3.91 3.80 4.77 -0.41 -3.23 117.00 112.51 1wyl n LEU 48 Ca -0.12 1.35 -0.31 0.00 -0.03 0.00 0.00 56.01 56.91 1wyl n LEU 48 Cb 0.38 -0.43 -0.15 0.00 -2.33 0.00 0.00 43.42 40.88 1wyl n LEU 48 CO 0.29 -1.32 -0.33 -1.58 -1.33 0.00 0.00 177.39 173.12 1wyl s GLN 49 N -5.91 1.19 0.00 3.23 0.74 -0.87 -4.96 119.66 113.08 1wyl s GLN 49 Ca -0.11 -1.57 0.14 0.00 0.05 0.00 0.00 55.36 53.87 1wyl s GLN 49 Cb 0.22 -2.74 0.68 0.00 1.10 0.00 0.00 33.01 32.27 1wyl s GLN 49 CO 0.61 -0.96 1.42 -0.35 -0.55 0.00 0.00 175.29 175.47 1wyl n PRO 50 N 4.48 0.12 0.09 1.67 -0.04 -1.20 -2.71 135.00 137.41 1wyl n PRO 50 Ca 0.02 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.60 1wyl n PRO 50 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 1wyl n PRO 50 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 1wyl h GLY 51 N 2.42 0.09 -1.91 0.55 0.00 -1.92 -3.46 103.07 98.86 1wyl h GLY 51 Ca 0.00 -0.17 -0.50 0.00 0.00 0.00 0.00 47.33 46.66 1wyl h GLY 51 CO 0.00 0.15 0.40 1.08 0.00 0.00 0.00 176.54 178.17 1wyl s LEU 52 N -7.19 3.60 1.05 3.11 1.43 -1.10 -4.99 118.68 114.58 1wyl s LEU 52 Ca -0.01 2.06 -0.24 0.00 -1.03 0.00 0.00 54.13 54.91 1wyl s LEU 52 Cb 0.11 -4.56 -0.08 0.00 0.03 0.00 0.00 46.19 41.69 1wyl s LEU 52 CO 0.81 -1.35 -0.92 0.00 0.23 0.00 0.00 176.35 175.12 1wyl n LEU 53 N -1.77 -2.77 -4.70 1.79 -0.00 -1.26 -4.99 117.00 103.30 1wyl n LEU 53 Ca 0.11 -0.05 -0.26 0.00 -0.00 0.00 0.00 56.01 55.80 1wyl n LEU 53 Cb 0.52 -0.69 -0.07 0.00 -0.00 0.00 0.00 43.42 43.18 1wyl n LEU 53 CO 0.45 -2.79 -0.30 -1.83 -0.00 0.00 0.00 177.39 172.92 1wyl s GLU 54 N -2.58 2.55 -0.93 1.47 -1.05 -1.26 -4.93 118.70 111.96 1wyl s GLU 54 Ca 0.44 -1.04 -0.24 0.00 -0.15 0.00 0.00 54.97 53.98 1wyl s GLU 54 Cb 0.01 -2.44 -0.05 0.00 -0.44 0.00 0.00 34.13 31.21 1wyl s GLU 54 CO 0.66 0.46 1.94 -1.25 0.95 0.00 0.00 175.26 178.03 1wyl s PRO 55 N -3.00 2.55 -0.09 -4.83 0.04 -1.26 -4.71 135.00 123.71 1wyl s PRO 55 Ca 0.29 -0.38 0.12 0.00 0.04 0.00 0.00 61.00 61.07 1wyl s PRO 55 Cb -0.09 -5.08 -0.24 0.00 0.04 0.00 0.00 34.50 29.13 1wyl s PRO 55 CO 0.20 -3.43 0.48 0.45 0.04 0.00 0.00 177.00 174.74 1wyl n SER 56 N 14.00 0.79 -0.12 6.66 2.88 -1.26 -4.24 113.62 132.32 1wyl n SER 56 Ca 0.41 0.29 -0.16 0.00 -1.33 0.00 0.00 58.87 58.08 1wyl n SER 56 Cb 0.47 0.12 -0.13 0.00 -0.75 0.00 0.00 64.21 63.92 1wyl n SER 56 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wyl n GLU 57 N -3.01 0.67 0.02 -1.46 -0.58 -1.26 -4.33 120.64 110.69 1wyl n GLU 57 Ca -0.22 0.11 0.22 0.00 -0.42 0.00 0.00 57.16 56.84 1wyl n GLU 57 Cb 1.08 -1.51 0.72 0.00 -0.57 0.00 0.00 31.44 31.15 1wyl n GLU 57 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyl h LEU 58 N 0.00 0.00 -1.22 -4.62 4.07 -1.94 -0.71 115.31 110.89 1wyl h LEU 58 Ca -0.56 0.00 0.30 0.00 0.08 0.00 0.00 57.88 57.70 1wyl h LEU 58 Cb 1.98 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.60 1wyl h LEU 58 CO -0.06 0.00 0.66 1.56 -1.08 0.00 0.00 178.44 179.53 1wyl h GLN 59 N 0.00 0.36 -1.35 1.13 4.20 -1.75 -2.34 115.11 115.36 1wyl h GLN 59 Ca 0.25 -0.02 -0.47 0.00 0.06 0.00 0.00 58.65 58.48 1wyl h GLN 59 Cb 1.31 -0.08 -0.41 0.00 0.30 0.00 0.00 27.48 28.60 1wyl h GLN 59 CO -0.00 0.24 -1.00 0.41 -0.67 0.00 0.00 178.83 177.80 1wyl n GLY 60 N -1.41 3.54 3.77 3.46 0.00 -0.28 -5.09 105.19 109.19 1wyl n GLY 60 Ca 0.29 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 1wyl n GLY 60 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wyl s LEU 61 N -3.23 3.35 0.45 0.99 1.43 -0.88 -5.10 118.68 115.69 1wyl s LEU 61 Ca 0.37 -0.70 -0.24 0.00 -1.03 0.00 0.00 54.13 52.54 1wyl s LEU 61 Cb 0.42 -1.87 -0.07 0.00 0.03 0.00 0.00 46.19 44.69 1wyl s LEU 61 CO -0.06 -0.32 1.19 -0.83 0.23 0.00 0.00 176.35 176.56 1wyl s GLY 62 N -3.89 2.82 0.53 -3.19 0.00 -1.26 -4.80 107.32 97.53 1wyl s GLY 62 Ca 0.39 1.00 0.48 0.00 0.00 0.00 0.00 44.72 46.58 1wyl s GLY 62 CO 0.24 1.48 1.47 0.00 0.00 0.00 0.00 173.10 176.29 1wyl n ALA 63 N -0.37 1.79 -0.08 3.20 0.00 -1.26 -0.31 120.51 123.48 1wyl n ALA 63 Ca 0.07 0.61 -0.11 0.00 0.00 0.00 0.00 53.44 54.01 1wyl n ALA 63 Cb 0.47 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.79 1wyl n ALA 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wyl h LEU 64 N 0.00 0.00 -0.78 0.00 5.85 -1.89 -3.33 115.31 115.16 1wyl h LEU 64 Ca 0.89 -0.26 0.28 0.00 0.84 0.00 0.00 57.88 59.63 1wyl h LEU 64 Cb 3.58 0.00 -0.14 0.00 0.37 0.00 0.00 40.66 44.46 1wyl h LEU 64 CO -0.01 1.01 0.24 -0.62 -0.34 0.00 0.00 178.44 178.72 1wyl n GLU 65 N -4.57 -0.05 0.00 1.25 -0.58 0.57 -1.05 120.64 116.22 1wyl n GLU 65 Ca -0.16 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.71 1wyl n GLU 65 Cb 0.40 -1.91 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 1wyl n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyl n ALA 66 N -2.80 -0.43 -0.44 0.62 0.00 -0.88 -2.74 120.51 113.84 1wyl n ALA 66 Ca 0.25 0.00 0.38 0.00 0.00 0.00 0.00 53.44 54.06 1wyl n ALA 66 Cb 0.83 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.91 1wyl n ALA 66 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1wyl n THR 67 N -1.81 -0.24 0.00 0.00 -1.04 -0.21 0.26 114.28 111.24 1wyl n THR 67 Ca 0.00 1.71 -0.11 0.00 -2.04 0.00 0.00 64.05 63.62 1wyl n THR 67 Cb 0.00 -2.80 -0.04 0.00 -1.82 0.00 0.00 70.33 65.67 1wyl n THR 67 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1wyl h ALA 68 N 1.52 -0.37 0.67 2.41 0.00 -1.13 -0.81 119.26 121.55 1wyl h ALA 68 Ca 0.83 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.73 1wyl h ALA 68 Cb 2.66 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 21.04 1wyl h ALA 68 CO -0.45 -0.79 -0.38 2.35 0.00 0.00 0.00 179.25 179.98 1wyl h TRP 69 N -0.39 -1.00 -0.67 0.00 7.01 -0.17 -2.45 115.95 118.29 1wyl h TRP 69 Ca 0.09 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.15 1wyl h TRP 69 Cb 0.54 0.35 -0.10 0.00 -2.10 0.00 0.00 29.16 27.85 1wyl h TRP 69 CO -0.40 -0.59 -0.54 0.00 -2.79 0.00 0.00 178.44 174.12 1wyl h ALA 70 N -0.70 -0.64 -0.10 2.65 0.00 -1.35 1.25 119.26 120.37 1wyl h ALA 70 Ca -0.09 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1wyl h ALA 70 Cb 0.78 1.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.80 1wyl h ALA 70 CO 0.11 -0.96 0.32 -0.07 0.00 0.00 0.00 179.25 178.64 1wyl h LEU 71 N -0.19 0.00 0.00 0.00 3.38 -1.11 0.73 115.31 118.12 1wyl h LEU 71 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1wyl h LEU 71 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1wyl h LEU 71 CO -0.73 0.00 -0.04 0.50 0.09 0.00 0.00 178.44 178.27 1wyl h LYS 72 N 0.00 0.00 -0.99 1.13 3.64 0.19 -2.91 116.57 117.63 1wyl h LYS 72 Ca 0.05 0.00 0.28 0.00 -1.27 0.00 0.00 60.65 59.71 1wyl h LYS 72 Cb 0.69 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 1wyl h LYS 72 CO -0.00 0.00 0.70 0.28 -2.27 0.00 0.00 179.45 178.16 1wyl h VAL 73 N -0.18 0.52 -0.04 2.00 2.07 -0.35 0.47 116.25 120.74 1wyl h VAL 73 Ca 0.00 -0.02 -0.23 0.00 0.82 0.00 0.00 66.70 67.27 1wyl h VAL 73 Cb 0.04 0.46 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1wyl h VAL 73 CO 0.00 0.01 -0.90 0.00 0.02 0.00 0.00 177.57 176.70 1wyl h ALA 74 N 1.52 0.35 0.00 1.67 0.00 -1.01 0.11 119.26 121.90 1wyl h ALA 74 Ca 0.48 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wyl h ALA 74 Cb 1.81 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1wyl h ALA 74 CO -0.04 0.76 -0.18 1.49 0.00 0.00 0.00 179.25 181.28 1wyl h GLU 75 N 0.32 0.00 0.00 0.00 4.22 -0.18 2.06 114.58 120.99 1wyl h GLU 75 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.36 1wyl h GLU 75 Cb 1.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.78 1wyl h GLU 75 CO 0.16 0.00 -0.48 0.09 -2.18 0.00 0.00 179.01 176.60 1wyl n ASN 76 N -2.71 1.23 0.03 1.04 3.02 0.12 -3.77 115.26 114.23 1wyl n ASN 76 Ca 0.04 0.38 -0.01 0.00 -0.03 0.00 0.00 54.58 54.95 1wyl n ASN 76 Cb 0.49 -0.71 -0.01 0.00 -0.61 0.00 0.00 39.78 38.95 1wyl n ASN 76 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 1wyl h GLU 77 N -0.66 -0.09 0.00 3.52 4.39 -0.97 -3.33 114.58 117.44 1wyl h GLU 77 Ca 0.00 0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1wyl h GLU 77 Cb 0.48 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1wyl h GLU 77 CO 0.00 -0.06 -0.16 -0.07 -1.16 0.00 0.00 179.01 177.56 1wyl h LEU 78 N -0.23 0.00 0.14 1.33 3.38 -1.41 -3.46 115.31 115.05 1wyl h LEU 78 Ca -0.01 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1wyl h LEU 78 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1wyl h LEU 78 CO 0.02 0.16 -0.05 0.61 0.09 0.00 0.00 178.44 179.26 1wyl n GLY 79 N -0.98 0.58 3.57 0.83 0.00 0.64 -4.93 105.19 104.90 1wyl n GLY 79 Ca -0.02 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 1wyl n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wyl s ILE 80 N -1.94 3.78 0.02 -0.61 -1.09 0.22 -4.81 121.20 116.78 1wyl s ILE 80 Ca 0.00 -1.13 -0.26 0.00 -2.23 0.00 0.00 60.65 57.02 1wyl s ILE 80 Cb 0.00 -4.77 -0.13 0.00 -1.58 0.00 0.00 42.46 35.98 1wyl s ILE 80 CO 0.00 -1.49 0.68 0.41 -1.23 0.00 0.00 174.94 173.31 1wyl n THR 81 N 7.20 0.20 -2.04 2.92 -1.04 -1.26 -4.17 114.28 116.08 1wyl n THR 81 Ca 0.43 -0.05 -0.33 0.00 -2.04 0.00 0.00 64.05 62.07 1wyl n THR 81 Cb 0.47 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.94 1wyl n THR 81 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1wyl s PRO 82 N -0.10 2.59 0.16 -2.82 0.04 -1.26 -4.82 135.00 128.78 1wyl s PRO 82 Ca 0.60 0.17 -0.11 0.00 0.04 0.00 0.00 61.00 61.71 1wyl s PRO 82 Cb -0.84 -4.72 0.03 0.00 0.04 0.00 0.00 34.50 29.02 1wyl s PRO 82 CO 0.39 -3.05 1.60 -0.24 0.04 0.00 0.00 177.00 175.74 1wyl h VAL 83 N 7.07 1.27 -2.67 -0.36 3.04 -1.94 -3.44 116.25 119.22 1wyl h VAL 83 Ca -0.09 -1.20 -0.57 0.00 -1.01 0.00 0.00 66.70 63.84 1wyl h VAL 83 Cb 1.09 0.96 -0.06 0.00 -2.01 0.00 0.00 31.29 31.26 1wyl h VAL 83 CO 1.21 0.42 -0.55 -0.69 -1.01 0.00 0.00 177.57 176.96 1wyl s VAL 84 N -4.91 4.58 -0.02 1.51 1.01 -1.26 -5.04 120.40 116.26 1wyl s VAL 84 Ca -0.12 -1.05 -0.24 0.00 0.00 0.00 0.00 61.98 60.58 1wyl s VAL 84 Cb 0.12 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.11 1wyl s VAL 84 CO 0.85 -0.12 0.71 -0.44 0.00 0.00 0.00 175.10 176.10 1wyl s SER 85 N -3.15 7.06 0.33 3.32 0.01 -1.26 -4.93 113.70 115.08 1wyl s SER 85 Ca 0.31 1.27 0.19 0.00 1.31 0.00 0.00 55.95 59.03 1wyl s SER 85 Cb -0.10 -2.42 1.19 0.00 0.21 0.00 0.00 66.02 64.90 1wyl s SER 85 CO 0.24 -0.04 1.39 0.00 0.41 0.00 0.00 173.24 175.24 1wyl n ALA 86 N 3.31 0.91 0.18 1.44 0.00 -1.26 0.52 120.51 125.61 1wyl n ALA 86 Ca -0.02 0.90 -0.14 0.00 0.00 0.00 0.00 53.44 54.17 1wyl n ALA 86 Cb 0.51 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 1wyl n ALA 86 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wyl h GLN 87 N 0.00 -0.45 -0.64 0.00 4.15 -1.96 -2.99 115.11 113.22 1wyl h GLN 87 Ca 0.75 0.03 0.12 0.00 0.77 0.00 0.00 58.65 60.32 1wyl h GLN 87 Cb 1.99 0.10 -0.09 0.00 0.21 0.00 0.00 27.48 29.69 1wyl h GLN 87 CO -0.68 -0.16 0.17 0.00 -1.93 0.00 0.00 178.83 176.23 1wyl h ALA 88 N -0.15 0.80 -0.20 3.38 0.00 -0.31 0.30 119.26 123.08 1wyl h ALA 88 Ca -0.05 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.04 1wyl h ALA 88 Cb 0.49 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1wyl h ALA 88 CO 0.08 -0.29 -0.41 0.28 0.00 0.00 0.00 179.25 178.91 1wyl h VAL 89 N 0.30 0.16 0.54 0.00 2.07 -1.22 0.15 116.25 118.25 1wyl h VAL 89 Ca 0.34 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.84 1wyl h VAL 89 Cb 0.52 0.16 0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1wyl h VAL 89 CO -0.41 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.50 1wyl h VAL 90 N -0.44 0.00 -0.18 2.57 2.07 -1.25 -3.02 116.25 115.99 1wyl h VAL 90 Ca 0.09 -0.39 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1wyl h VAL 90 Cb 0.61 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 1wyl h VAL 90 CO -0.43 0.00 0.78 0.00 0.02 0.00 0.00 177.57 177.93 1wyl h ALA 91 N -1.27 1.94 -1.49 1.67 0.00 -0.37 -3.44 119.26 116.29 1wyl h ALA 91 Ca -0.07 -0.01 -0.42 0.00 0.00 0.00 0.00 54.91 54.41 1wyl h ALA 91 Cb 0.55 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.22 1wyl h ALA 91 CO 0.12 -0.87 -0.41 0.41 0.00 0.00 0.00 179.25 178.50 1wyl n GLY 92 N -1.44 1.38 0.21 0.00 0.00 0.53 -4.86 105.19 101.01 1wyl n GLY 92 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 1wyl n GLY 92 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1wyl h SER 93 N 0.00 0.85 -3.90 1.61 4.64 -1.83 -3.38 113.55 111.54 1wyl h SER 93 Ca -0.43 -0.64 -0.71 0.00 -0.47 0.00 0.00 61.79 59.54 1wyl h SER 93 Cb 1.34 -0.25 -0.34 0.00 -0.31 0.00 0.00 62.40 62.84 1wyl h SER 93 CO 0.60 1.35 -0.22 -1.81 -0.87 0.00 0.00 176.83 175.89 1wyl s ASP 94 N -6.99 5.67 0.45 4.97 1.01 -1.26 -4.90 116.67 115.62 1wyl s ASP 94 Ca -0.11 -3.10 0.24 0.00 0.71 0.00 0.00 52.55 50.29 1wyl s ASP 94 Cb 0.08 -1.92 1.02 0.00 1.01 0.00 0.00 42.92 43.11 1wyl s ASP 94 CO 0.88 -0.34 1.88 1.55 0.21 0.00 0.00 175.17 179.35 1wyl h PRO 95 N 6.82 0.00 -0.00 8.23 0.13 -1.91 -3.18 132.00 142.09 1wyl h PRO 95 Ca 0.05 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.18 1wyl h PRO 95 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1wyl h PRO 95 CO 0.76 0.22 -0.00 -0.07 -0.23 0.00 0.00 178.00 178.68 1wyl h LEU 96 N 0.00 0.00 -0.28 1.56 4.07 -1.94 -2.95 115.31 115.77 1wyl h LEU 96 Ca -0.00 -0.55 0.07 0.00 0.08 0.00 0.00 57.88 57.48 1wyl h LEU 96 Cb 0.66 -0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.32 1wyl h LEU 96 CO 0.03 0.55 -0.25 1.23 -1.08 0.00 0.00 178.44 178.92 1wyl h GLY 97 N -0.54 -0.15 0.36 0.83 0.00 -1.97 -1.14 103.07 100.46 1wyl h GLY 97 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 47.33 47.66 1wyl h GLY 97 CO 0.00 -0.20 -0.39 -2.00 0.00 0.00 0.00 176.54 173.95 1wyl h LEU 98 N -0.24 -1.13 -0.59 3.11 5.85 -1.64 0.30 115.31 120.97 1wyl h LEU 98 Ca 0.15 0.12 0.12 0.00 0.84 0.00 0.00 57.88 59.11 1wyl h LEU 98 Cb 0.47 0.42 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 1wyl h LEU 98 CO -0.42 -0.48 -0.19 0.40 -0.34 0.00 0.00 178.44 177.42 1wyl h ILE 99 N -0.65 0.35 -0.74 4.05 2.04 -1.28 0.61 117.51 121.89 1wyl h ILE 99 Ca 0.02 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 1wyl h ILE 99 Cb 0.66 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1wyl h ILE 99 CO -0.21 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.19 1wyl h ALA 100 N 1.48 1.04 0.29 1.87 0.00 -0.76 -3.03 119.26 120.15 1wyl h ALA 100 Ca 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wyl h ALA 100 Cb 0.47 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1wyl h ALA 100 CO -0.63 0.65 -0.50 -0.92 0.00 0.00 0.00 179.25 177.86 1wyl h TYR 101 N 1.09 -1.41 -0.86 0.00 3.20 0.18 -2.08 116.97 117.09 1wyl h TYR 101 Ca 0.24 0.02 0.20 0.00 3.14 0.00 0.00 58.73 62.34 1wyl h TYR 101 Cb 0.28 0.58 -0.12 0.00 1.54 0.00 0.00 36.73 39.00 1wyl h TYR 101 CO 0.02 -0.62 0.35 -0.07 -1.64 0.00 0.00 178.16 176.21 1wyl h LEU 102 N -0.85 0.28 -0.99 2.82 3.38 -1.29 0.16 115.31 118.82 1wyl h LEU 102 Ca -0.03 0.15 0.35 0.00 0.09 0.00 0.00 57.88 58.44 1wyl h LEU 102 Cb 0.80 0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 1wyl h LEU 102 CO -0.18 0.01 0.34 -1.28 0.09 0.00 0.00 178.44 177.42 1wyl h SER 103 N 0.39 0.03 -0.48 -0.43 0.87 -1.25 0.88 113.55 113.56 1wyl h SER 103 Ca 0.52 0.26 -0.00 0.00 -1.23 0.00 0.00 61.79 61.34 1wyl h SER 103 Cb 0.96 0.34 -0.02 0.00 -0.44 0.00 0.00 62.40 63.24 1wyl h SER 103 CO -0.52 -0.37 0.30 0.45 -0.53 0.00 0.00 176.83 176.17 1wyl h HIS 104 N 0.04 0.62 -0.07 2.24 3.86 -0.97 0.27 115.15 121.14 1wyl h HIS 104 Ca 0.73 0.00 0.02 0.00 -1.16 0.00 0.00 60.37 59.96 1wyl h HIS 104 Cb 1.77 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 30.01 1wyl h HIS 104 CO -0.20 0.42 -0.04 0.74 0.86 0.00 0.00 177.93 179.71 1wyl h PHE 105 N 0.64 -0.10 0.39 2.45 -1.00 0.70 -2.27 116.94 117.76 1wyl h PHE 105 Ca 0.17 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1wyl h PHE 105 Cb -0.03 0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.59 1wyl h PHE 105 CO -0.03 -0.07 -0.19 1.25 -1.61 0.00 0.00 178.31 177.66 1wyl h HIS 106 N -0.04 -0.49 -1.68 -0.55 2.76 -1.17 0.32 115.15 114.30 1wyl h HIS 106 Ca 0.04 -0.01 0.49 0.00 -2.20 0.00 0.00 60.37 58.69 1wyl h HIS 106 Cb 0.10 0.16 -0.07 0.00 1.55 0.00 0.00 27.41 29.16 1wyl h HIS 106 CO -0.15 -0.30 1.28 0.43 -1.30 0.00 0.00 177.93 177.89 1wyl n SER 107 N -4.04 0.00 -0.05 3.26 7.64 0.93 0.19 113.62 121.56 1wyl n SER 107 Ca -0.06 0.87 -0.17 0.00 1.01 0.00 0.00 58.87 60.52 1wyl n SER 107 Cb 0.21 -0.42 -0.14 0.00 -1.01 0.00 0.00 64.21 62.85 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyl n ALA 108 N -2.74 1.20 -1.69 -0.43 0.00 -0.86 -4.37 120.51 111.63 1wyl n ALA 108 Ca 0.38 -0.83 -0.30 0.00 0.00 0.00 0.00 53.44 52.68 1wyl n ALA 108 Cb 1.78 -0.50 0.05 0.00 0.00 0.00 0.00 19.45 20.78 1wyl n ALA 108 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1wyl n PHE 109 N -3.28 3.02 -4.53 0.00 3.01 0.52 -4.91 117.46 111.30 1wyl n PHE 109 Ca -0.33 -2.66 -0.34 0.00 1.01 0.00 0.00 57.45 55.13 1wyl n PHE 109 Cb 1.04 -0.92 -0.11 0.00 -0.01 0.00 0.00 39.48 39.49 1wyl n PHE 109 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1wyl s LYS 110 N -3.73 2.82 -1.39 -1.08 -2.85 0.34 -4.53 119.74 109.32 1wyl s LYS 110 Ca 0.58 -0.51 -0.08 0.00 -1.00 0.00 0.00 55.97 54.96 1wyl s LYS 110 Cb 0.46 -2.66 0.01 0.00 -2.06 0.00 0.00 37.83 33.58 1wyl s LYS 110 CO -0.01 0.67 1.06 0.45 0.10 0.00 0.00 175.35 177.62 1wyl n SER 111 N 2.15 -6.31 -1.01 0.03 2.88 -1.26 -4.72 113.62 105.38 1wyl n SER 111 Ca -0.18 -0.48 0.14 0.00 -1.33 0.00 0.00 58.87 57.01 1wyl n SER 111 Cb 0.53 -4.98 -0.04 0.00 -0.75 0.00 0.00 64.21 58.98 1wyl n SER 111 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyl n GLY 112 N -1.90 -1.81 0.00 0.46 0.00 -1.26 -3.95 105.19 96.73 1wyl n GLY 112 Ca -0.02 -1.27 0.07 0.00 0.00 0.00 0.00 46.02 44.81 1wyl n GLY 112 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wyl n PRO 113 N -3.33 0.19 -3.96 1.61 -0.04 -1.26 -4.41 135.00 123.80 1wyl n PRO 113 Ca 0.00 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.29 1wyl n PRO 113 Cb 0.46 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.28 1wyl n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyl s SER 114 N -2.62 4.82 0.11 3.54 0.15 -1.25 -5.10 113.70 113.36 1wyl s SER 114 Ca 0.13 -1.74 -0.21 0.00 0.70 0.00 0.00 55.95 54.83 1wyl s SER 114 Cb 0.10 -1.67 -0.07 0.00 -1.71 0.00 0.00 66.02 62.67 1wyl s SER 114 CO 0.23 -0.34 0.64 -0.94 1.20 0.00 0.00 173.24 174.03 1wyl s SER 115 N 1.22 7.15 0.00 5.45 1.04 -1.26 -4.93 113.70 122.36 1wyl s SER 115 Ca 0.02 1.37 0.00 0.00 0.48 0.00 0.00 55.95 57.82 1wyl s SER 115 Cb -0.20 -2.40 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1wyl s SER 115 CO -0.05 0.23 0.00 0.61 0.98 0.00 0.00 173.24 175.01