#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 6.77 -0.49 1.61 0.15 -1.26 -4.97 113.70 115.51 1wyl s SER 2 Ca 0.00 2.57 -0.20 0.00 0.70 0.00 0.00 55.95 59.02 1wyl s SER 2 Cb 0.00 -2.62 0.04 0.00 -1.71 0.00 0.00 66.02 61.73 1wyl s SER 2 CO 0.00 -0.60 0.67 -0.55 1.20 0.00 0.00 173.24 173.96 1wyl s SER 3 N 0.19 6.27 0.00 5.45 0.15 -1.26 -4.79 113.70 119.72 1wyl s SER 3 Ca 0.56 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1wyl s SER 3 Cb -0.39 -2.32 0.00 0.00 -1.71 0.00 0.00 66.02 61.60 1wyl s SER 3 CO 0.43 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.59 1wyl n GLY 4 N 5.11 -0.47 3.38 9.45 0.00 -1.26 -5.17 105.19 116.23 1wyl n GLY 4 Ca -0.04 0.34 -0.31 0.00 0.00 0.00 0.00 46.02 46.01 1wyl n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wyl s SER 5 N 0.00 3.42 0.16 1.61 0.15 -1.26 -5.13 113.70 112.65 1wyl s SER 5 Ca 0.00 -0.41 -0.07 0.00 0.70 0.00 0.00 55.95 56.17 1wyl s SER 5 Cb 0.00 -0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.79 1wyl s SER 5 CO 0.00 0.31 0.23 -0.44 1.20 0.00 0.00 173.24 174.54 1wyl s SER 6 N -0.83 0.10 0.00 5.45 0.01 -1.26 -5.14 113.70 112.03 1wyl s SER 6 Ca 0.11 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.40 1wyl s SER 6 Cb -0.10 0.41 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1wyl s SER 6 CO 0.01 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.40 1wyl n GLY 7 N -0.20 0.75 3.28 3.44 0.00 -1.26 -5.11 105.19 106.10 1wyl n GLY 7 Ca -0.06 -1.72 -0.34 0.00 0.00 0.00 0.00 46.02 43.90 1wyl n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1wyl n THR 8 N 8.01 0.00 0.29 2.61 5.66 -1.26 -4.83 114.28 124.76 1wyl n THR 8 Ca 0.00 -0.28 -0.00 0.00 -3.05 0.00 0.00 64.05 60.72 1wyl n THR 8 Cb 0.00 -0.43 0.12 0.00 -1.55 0.00 0.00 70.33 68.47 1wyl n THR 8 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wyl n GLN 9 N -0.47 2.16 0.07 1.09 10.64 -1.26 -4.25 117.38 125.35 1wyl n GLN 9 Ca 0.04 -1.12 -0.13 0.00 -1.83 0.00 0.00 57.00 53.96 1wyl n GLN 9 Cb 0.56 -1.69 -0.09 0.00 -0.86 0.00 0.00 30.24 28.16 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 1.16 -0.16 -0.48 2.61 4.81 -1.99 -1.13 114.58 119.39 1wyl h GLU 10 Ca 0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1wyl h GLU 10 Cb 1.20 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.58 1wyl h GLU 10 CO 0.23 0.17 0.28 1.49 -0.73 0.00 0.00 179.01 180.45 1wyl h GLU 11 N -0.51 0.54 -0.12 1.92 4.57 -1.97 -1.53 114.58 117.48 1wyl h GLU 11 Ca -0.02 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1wyl h GLU 11 Cb 0.41 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.87 1wyl h GLU 11 CO 0.03 0.36 0.08 1.25 -1.18 0.00 0.00 179.01 179.54 1wyl h LEU 12 N 0.56 0.14 -0.35 1.64 5.85 -1.83 -0.02 115.31 121.30 1wyl h LEU 12 Ca 0.19 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1wyl h LEU 12 Cb 0.03 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 1wyl h LEU 12 CO -0.10 0.13 0.03 0.25 -0.34 0.00 0.00 178.44 178.41 1wyl h LEU 13 N 0.15 -0.07 0.19 2.25 5.85 -0.91 -0.55 115.31 122.22 1wyl h LEU 13 Ca 0.04 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1wyl h LEU 13 Cb 0.01 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.15 1wyl h LEU 13 CO -0.01 -0.00 -0.09 0.03 -0.34 0.00 0.00 178.44 178.03 1wyl h ARG 14 N 0.14 -0.25 -0.99 1.25 3.08 -1.08 0.80 114.38 117.32 1wyl h ARG 14 Ca 0.17 0.02 0.18 0.00 0.07 0.00 0.00 59.98 60.41 1wyl h ARG 14 Cb 0.21 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.23 1wyl h ARG 14 CO -0.25 -0.09 0.61 2.35 -1.07 0.00 0.00 179.97 181.52 1wyl h TRP 15 N -0.36 0.99 -0.03 3.04 7.01 -0.69 0.19 115.95 126.10 1wyl h TRP 15 Ca -0.03 0.03 -0.22 0.00 2.11 0.00 0.00 58.89 60.79 1wyl h TRP 15 Cb 0.28 -0.30 0.00 0.00 -2.10 0.00 0.00 29.16 27.04 1wyl h TRP 15 CO -0.03 0.26 -0.88 0.00 -2.79 0.00 0.00 178.44 175.00 1wyl h GLN 17 N 0.27 1.18 -0.50 0.00 4.20 0.12 0.14 115.11 120.53 1wyl h GLN 17 Ca -0.07 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.49 1wyl h GLN 17 Cb 1.50 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 1wyl h GLN 17 CO 0.15 0.78 -0.01 0.93 -0.67 0.00 0.00 178.83 180.02 1wyl h GLU 18 N 1.22 0.89 0.10 1.46 4.39 -1.37 -0.14 114.58 121.12 1wyl h GLU 18 Ca 0.41 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1wyl h GLU 18 Cb 0.08 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1wyl h GLU 18 CO -0.14 0.92 -0.05 1.96 -1.16 0.00 0.00 179.01 180.54 1wyl h GLN 19 N 0.75 -0.12 0.00 2.33 1.08 -1.35 -2.92 115.11 114.87 1wyl h GLN 19 Ca 0.14 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1wyl h GLN 19 Cb 0.53 0.03 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1wyl h GLN 19 CO 0.03 0.26 0.00 0.25 -0.95 0.00 0.00 178.83 178.42 1wyl n THR 20 N -4.96 0.91 0.11 -0.54 -2.24 0.45 -2.38 114.28 105.62 1wyl n THR 20 Ca -0.09 0.36 0.04 0.00 -2.27 0.00 0.00 64.05 62.10 1wyl n THR 20 Cb 0.23 -1.30 0.22 0.00 -2.10 0.00 0.00 70.33 67.38 1wyl n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wyl n ALA 21 N -1.76 1.09 -2.25 6.98 0.00 -0.07 -2.73 120.51 121.78 1wyl n ALA 21 Ca 0.01 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.14 1wyl n ALA 21 Cb 0.18 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.26 5.75 3.63 0.00 0.00 -1.00 -4.92 105.19 107.40 1wyl n GLY 22 Ca -0.00 -2.58 -0.05 0.00 0.00 0.00 0.00 46.02 43.39 1wyl n GLY 22 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1wyl s TYR 23 N -4.00 -0.99 0.08 1.61 6.14 -1.11 -4.96 117.35 114.12 1wyl s TYR 23 Ca 0.48 1.94 -0.31 0.00 0.64 0.00 0.00 57.07 59.82 1wyl s TYR 23 Cb 0.37 0.60 -0.07 0.00 0.42 0.00 0.00 41.96 43.27 1wyl s TYR 23 CO -0.30 -0.49 1.39 -1.25 0.64 0.00 0.00 175.55 175.54 1wyl s PRO 24 N 1.77 4.32 0.00 4.97 0.04 -1.26 -2.81 135.00 142.03 1wyl s PRO 24 Ca -0.09 2.03 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1wyl s PRO 24 Cb -0.06 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1wyl s PRO 24 CO -0.19 -0.47 0.00 0.41 0.04 0.00 0.00 177.00 176.79 1wyl n GLY 25 N 3.53 2.98 3.61 0.56 0.00 -1.26 -5.00 105.19 109.60 1wyl n GLY 25 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.13 4.24 -0.56 1.61 1.01 -1.12 -4.94 120.40 118.50 1wyl s VAL 26 Ca 0.00 1.30 0.06 0.00 0.00 0.00 0.00 61.98 63.34 1wyl s VAL 26 Cb 0.00 -4.56 0.22 0.00 0.00 0.00 0.00 36.38 32.04 1wyl s VAL 26 CO 0.00 -0.92 0.59 0.00 0.00 0.00 0.00 175.10 174.77 1wyl n HIS 27 N 7.73 1.93 -1.86 5.22 1.44 -1.26 -4.79 115.22 123.63 1wyl n HIS 27 Ca 0.12 -3.92 -0.38 0.00 -2.01 0.00 0.00 57.72 51.53 1wyl n HIS 27 Cb 0.49 -0.41 -0.03 0.00 0.12 0.00 0.00 29.99 30.16 1wyl n HIS 27 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1wyl s VAL 28 N -1.62 3.24 -1.15 0.61 1.01 -1.26 -4.74 120.40 116.49 1wyl s VAL 28 Ca 0.35 0.16 0.13 0.00 0.00 0.00 0.00 61.98 62.62 1wyl s VAL 28 Cb 0.10 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 1wyl s VAL 28 CO -0.09 -0.52 0.73 -1.54 0.00 0.00 0.00 175.10 173.67 1wyl n SER 29 N 13.55 1.32 -2.48 3.32 3.41 -1.26 -4.80 113.62 126.69 1wyl n SER 29 Ca 0.26 -1.16 -0.02 0.00 -0.26 0.00 0.00 58.87 57.70 1wyl n SER 29 Cb 0.52 0.55 0.01 0.00 -0.26 0.00 0.00 64.21 65.04 1wyl n SER 29 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1wyl n ASP 30 N -0.35 -1.09 -0.79 4.04 5.68 -1.26 -5.04 116.55 117.73 1wyl n ASP 30 Ca 0.05 -1.56 0.02 0.00 -0.50 0.00 0.00 54.79 52.80 1wyl n ASP 30 Cb 0.27 1.77 0.20 0.00 -1.14 0.00 0.00 41.12 42.23 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 3.33 0.00 -2.12 4.32 -1.26 -4.42 117.00 116.85 1wyl n LEU 31 Ca -0.01 -3.70 0.00 0.00 -0.02 0.00 0.00 56.01 52.28 1wyl n LEU 31 Cb 0.37 -0.56 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 1wyl n LEU 31 CO 0.13 1.22 0.00 -0.24 -1.22 0.00 0.00 177.39 177.28 1wyl n SER 32 N -1.12 0.00 -0.01 -1.43 2.88 -1.26 -4.67 113.62 108.02 1wyl n SER 32 Ca 0.25 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.78 1wyl n SER 32 Cb 0.84 -0.45 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 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 -2.43 4.23 -0.17 -3.46 2.88 -1.26 -4.46 113.62 108.94 1wyl n SER 33 Ca 0.00 0.00 0.27 0.00 -1.33 0.00 0.00 58.87 57.81 1wyl n SER 33 Cb 0.00 0.73 0.46 0.00 -0.75 0.00 0.00 64.21 64.65 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 -1.91 1.82 113.55 110.02 1wyl h SER 34 Ca -0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.63 1wyl h SER 34 Cb 0.92 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.41 1wyl h SER 34 CO 0.00 0.00 -2.19 0.79 -1.14 0.00 0.00 176.83 174.29 1wyl n TRP 35 N -3.27 0.00 -0.38 3.45 7.02 -1.26 -4.54 117.44 118.46 1wyl n TRP 35 Ca 0.21 0.00 -0.02 0.00 -1.02 0.00 0.00 57.50 56.67 1wyl n TRP 35 Cb 1.44 -0.80 0.02 0.00 -2.42 0.00 0.00 31.31 29.54 1wyl n TRP 35 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1wyl n ALA 36 N -2.56 -0.20 -0.27 6.99 0.00 0.62 0.35 120.51 125.43 1wyl n ALA 36 Ca -0.23 0.94 0.15 0.00 0.00 0.00 0.00 53.44 54.29 1wyl n ALA 36 Cb 0.96 -0.38 0.29 0.00 0.00 0.00 0.00 19.45 20.31 1wyl n ALA 36 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1wyl n ASP 37 N -5.39 -0.02 0.00 0.00 8.00 -1.21 -3.92 116.55 114.01 1wyl n ASP 37 Ca 0.09 1.36 0.00 0.00 0.71 0.00 0.00 54.79 56.95 1wyl n ASP 37 Cb 0.37 -0.53 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wyl n GLY 38 N -1.36 2.72 0.19 0.44 0.00 0.15 -4.34 105.19 102.99 1wyl n GLY 38 Ca 0.21 -0.86 -0.07 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.45 -0.55 0.99 3.38 -1.85 -2.77 115.31 114.07 1wyl h LEU 39 Ca 0.00 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.13 1wyl h LEU 39 Cb 0.00 0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.94 1wyl h LEU 39 CO 0.00 -0.17 -0.32 0.00 0.09 0.00 0.00 178.44 178.04 1wyl n ALA 40 N -2.68 -0.35 -0.30 1.53 0.00 -1.26 0.20 120.51 117.65 1wyl n ALA 40 Ca 0.00 0.46 0.10 0.00 0.00 0.00 0.00 53.44 54.00 1wyl n ALA 40 Cb 0.22 0.01 0.32 0.00 0.00 0.00 0.00 19.45 20.00 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 0.77 -0.04 0.00 3.38 -1.78 -1.69 115.31 115.95 1wyl h LEU 41 Ca 0.09 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.11 1wyl h LEU 41 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1wyl h LEU 41 CO -0.51 0.41 -0.02 0.00 0.09 0.00 0.00 178.44 178.40 1wyl h ALA 43 N 1.02 0.09 -0.80 0.00 0.00 -0.16 0.27 119.26 119.68 1wyl h ALA 43 Ca 0.03 0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.05 1wyl h ALA 43 Cb 0.06 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 1wyl h ALA 43 CO -0.06 -0.45 0.45 1.25 0.00 0.00 0.00 179.25 180.45 1wyl h LEU 44 N 0.06 0.64 0.41 0.00 5.85 -1.18 0.16 115.31 121.25 1wyl h LEU 44 Ca 0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 1wyl h LEU 44 Cb 0.03 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1wyl h LEU 44 CO -0.05 0.36 -0.20 0.58 -0.34 0.00 0.00 178.44 178.79 1wyl h VAL 45 N 0.76 0.00 -0.47 1.05 2.07 -0.79 -2.20 116.25 116.66 1wyl h VAL 45 Ca 0.39 -0.51 0.09 0.00 0.82 0.00 0.00 66.70 67.49 1wyl h VAL 45 Cb 0.36 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.03 1wyl h VAL 45 CO -0.25 0.00 -0.29 1.88 0.02 0.00 0.00 177.57 178.93 1wyl h TYR 46 N -1.06 -0.78 0.31 1.57 0.05 -0.38 -2.35 116.97 114.32 1wyl h TYR 46 Ca -0.06 0.06 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1wyl h TYR 46 Cb 0.42 0.41 -0.01 0.00 1.01 0.00 0.00 36.73 38.56 1wyl h TYR 46 CO 0.01 -0.36 -0.30 -0.09 -1.05 0.00 0.00 178.16 176.37 1wyl h ARG 47 N -0.19 -0.58 -0.72 4.88 9.65 -0.79 -2.42 114.38 124.21 1wyl h ARG 47 Ca 0.21 0.04 0.24 0.00 -1.10 0.00 0.00 59.98 59.37 1wyl h ARG 47 Cb 0.52 0.13 -0.13 0.00 -1.39 0.00 0.00 29.97 29.10 1wyl h ARG 47 CO -0.58 -0.39 0.18 1.28 2.80 0.00 0.00 179.97 183.27 1wyl n LEU 48 N -4.18 0.07 -3.82 3.80 4.77 -0.83 -3.04 117.00 113.77 1wyl n LEU 48 Ca -0.07 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 56.82 1wyl n LEU 48 Cb 0.27 -0.51 -0.15 0.00 -2.33 0.00 0.00 43.42 40.71 1wyl n LEU 48 CO 0.16 -1.28 -0.33 -1.10 -1.33 0.00 0.00 177.39 173.51 1wyl s GLN 49 N -5.39 0.96 0.47 3.23 -0.21 -0.92 -4.97 119.66 112.83 1wyl s GLN 49 Ca -0.08 -1.34 0.31 0.00 0.02 0.00 0.00 55.36 54.27 1wyl s GLN 49 Cb 0.23 -2.37 1.29 0.00 1.00 0.00 0.00 33.01 33.16 1wyl s GLN 49 CO 0.56 -0.98 1.91 -1.00 -2.12 0.00 0.00 175.29 173.67 1wyl h PRO 50 N 7.91 0.00 -0.48 2.91 0.13 -1.45 -3.08 132.00 137.93 1wyl h PRO 50 Ca -0.10 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.90 1wyl h PRO 50 Cb 1.01 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.13 1wyl h PRO 50 CO 0.49 0.00 -0.18 0.78 -0.23 0.00 0.00 178.00 178.85 1wyl h GLY 51 N 2.03 1.06 -1.88 1.56 0.00 -1.91 -3.45 103.07 100.49 1wyl h GLY 51 Ca 0.00 -0.92 -0.54 0.00 0.00 0.00 0.00 47.33 45.86 1wyl h GLY 51 CO 0.00 0.84 0.03 1.04 0.00 0.00 0.00 176.54 178.45 1wyl n LEU 52 N -4.15 2.88 0.00 3.11 4.77 -1.16 -4.96 117.00 117.50 1wyl n LEU 52 Ca 0.00 0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 56.38 1wyl n LEU 52 Cb 0.44 -1.40 0.14 0.00 -2.33 0.00 0.00 43.42 40.27 1wyl n LEU 52 CO 0.46 -2.32 0.16 0.00 -1.33 0.00 0.00 177.39 174.36 1wyl n LEU 53 N -2.34 0.00 -4.67 2.23 -0.00 -1.26 -5.01 117.00 105.95 1wyl n LEU 53 Ca 0.12 -0.41 -0.24 0.00 -0.00 0.00 0.00 56.01 55.48 1wyl n LEU 53 Cb 0.51 -0.73 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 1wyl n LEU 53 CO 0.49 -2.41 -0.31 -1.61 -0.00 0.00 0.00 177.39 173.56 1wyl s GLU 54 N -3.44 2.41 0.00 1.47 8.01 -1.26 -4.97 118.70 120.92 1wyl s GLU 54 Ca 0.31 -1.30 0.04 0.00 0.01 0.00 0.00 54.97 54.04 1wyl s GLU 54 Cb -0.06 -2.26 0.25 0.00 -4.31 0.00 0.00 34.13 27.75 1wyl s GLU 54 CO 0.26 0.39 0.71 -0.35 0.01 0.00 0.00 175.26 176.29 1wyl n PRO 55 N -0.77 0.48 -0.29 0.39 -0.04 -1.26 -4.15 135.00 129.37 1wyl n PRO 55 Ca -0.07 0.00 0.25 0.00 -0.04 0.00 0.00 63.50 63.63 1wyl n PRO 55 Cb 0.58 -1.13 0.42 0.00 -0.04 0.00 0.00 33.50 33.33 1wyl n PRO 55 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1wyl n SER 56 N -0.63 0.13 0.01 3.54 3.41 -1.26 0.25 113.62 119.06 1wyl n SER 56 Ca 0.03 0.87 -0.22 0.00 -0.26 0.00 0.00 58.87 59.29 1wyl n SER 56 Cb 0.01 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.40 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1wyl h GLU 57 N 0.00 0.25 -0.38 4.33 5.08 -2.00 -3.34 114.58 118.52 1wyl h GLU 57 Ca 0.55 -0.42 0.11 0.00 -1.00 0.00 0.00 59.36 58.60 1wyl h GLU 57 Cb 1.75 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.14 1wyl h GLU 57 CO -0.30 1.20 0.39 -0.07 -1.00 0.00 0.00 179.01 179.23 1wyl h LEU 58 N -0.24 0.00 -0.89 1.33 4.07 0.29 -0.91 115.31 118.96 1wyl h LEU 58 Ca -0.34 0.00 0.15 0.00 0.08 0.00 0.00 57.88 57.77 1wyl h LEU 58 Cb 1.82 0.00 -0.09 0.00 1.08 0.00 0.00 40.66 43.46 1wyl h LEU 58 CO 0.06 0.00 0.49 1.56 -1.08 0.00 0.00 178.44 179.47 1wyl h GLN 59 N 0.00 0.68 -1.35 1.13 4.20 -1.14 -1.94 115.11 116.69 1wyl h GLN 59 Ca 0.18 -0.04 -0.65 0.00 0.06 0.00 0.00 58.65 58.20 1wyl h GLN 59 Cb 0.96 -0.15 -0.35 0.00 0.30 0.00 0.00 27.48 28.24 1wyl h GLN 59 CO -0.00 0.45 0.14 0.41 -0.67 0.00 0.00 178.83 179.16 1wyl n GLY 60 N -1.33 5.93 3.42 3.46 0.00 -0.35 -5.00 105.19 111.33 1wyl n GLY 60 Ca 0.18 -2.55 -0.24 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.77 2.52 0.84 0.99 1.43 -0.73 -5.10 118.68 114.86 1wyl s LEU 61 Ca 0.54 -0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 52.58 1wyl s LEU 61 Cb 0.44 -1.03 0.10 0.00 0.03 0.00 0.00 46.19 45.73 1wyl s LEU 61 CO -0.16 0.03 1.11 -0.83 0.23 0.00 0.00 176.35 176.73 1wyl s GLY 62 N -3.11 1.67 0.51 -3.19 0.00 -1.26 -4.79 107.32 97.15 1wyl s GLY 62 Ca 0.24 0.31 0.32 0.00 0.00 0.00 0.00 44.72 45.58 1wyl s GLY 62 CO 0.11 0.70 1.81 0.00 0.00 0.00 0.00 173.10 175.73 1wyl h ALA 63 N -1.45 2.88 0.00 3.20 0.00 -1.96 -1.78 119.26 120.15 1wyl h ALA 63 Ca -0.45 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 1wyl h ALA 63 Cb 1.25 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1wyl h ALA 63 CO 0.49 -1.22 -0.53 1.25 0.00 0.00 0.00 179.25 179.24 1wyl h LEU 64 N 0.09 0.00 -1.76 0.00 5.85 -1.90 -3.34 115.31 114.26 1wyl h LEU 64 Ca 0.55 -0.49 0.53 0.00 0.84 0.00 0.00 57.88 59.31 1wyl h LEU 64 Cb 2.00 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.93 1wyl h LEU 64 CO -0.07 1.05 1.23 -0.62 -0.34 0.00 0.00 178.44 179.68 1wyl n GLU 65 N -4.58 -0.01 0.00 1.25 -0.58 -0.71 -1.27 120.64 114.74 1wyl n GLU 65 Ca -0.16 1.12 0.00 0.00 -0.42 0.00 0.00 57.16 57.70 1wyl n GLU 65 Cb 0.43 -2.45 0.00 0.00 -0.57 0.00 0.00 31.44 28.85 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 -2.78 -0.24 -0.48 0.62 0.00 -0.94 -3.47 120.51 113.21 1wyl n ALA 66 Ca 0.43 0.00 0.40 0.00 0.00 0.00 0.00 53.44 54.26 1wyl n ALA 66 Cb 1.84 0.00 0.68 0.00 0.00 0.00 0.00 19.45 21.97 1wyl n ALA 66 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1wyl h THR 67 N 0.00 0.06 -0.21 0.00 2.02 -1.30 0.35 112.91 113.83 1wyl h THR 67 Ca 0.00 -0.01 0.06 0.00 0.77 0.00 0.00 66.41 67.22 1wyl h THR 67 Cb 0.00 0.02 -0.06 0.00 -1.74 0.00 0.00 68.15 66.36 1wyl h THR 67 CO 0.00 0.01 -0.21 0.00 0.37 0.00 0.00 175.52 175.68 1wyl h ALA 68 N 1.56 -0.11 0.47 6.16 0.00 -1.37 -1.35 119.26 124.62 1wyl h ALA 68 Ca 0.86 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.82 1wyl h ALA 68 Cb 2.79 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 21.02 1wyl h ALA 68 CO -0.42 -0.65 -0.26 2.35 0.00 0.00 0.00 179.25 180.27 1wyl h TRP 69 N -0.23 -0.69 -0.62 0.00 7.01 -0.33 -2.61 115.95 118.48 1wyl h TRP 69 Ca 0.12 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.20 1wyl h TRP 69 Cb 0.42 0.24 -0.11 0.00 -2.10 0.00 0.00 29.16 27.62 1wyl h TRP 69 CO -0.36 -0.41 -0.48 0.00 -2.79 0.00 0.00 178.44 174.40 1wyl h ALA 70 N -0.18 -0.43 -0.40 2.65 0.00 -1.34 0.92 119.26 120.47 1wyl h ALA 70 Ca -0.06 0.09 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1wyl h ALA 70 Cb 0.55 1.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1wyl h ALA 70 CO 0.07 -0.89 0.40 -0.07 0.00 0.00 0.00 179.25 178.76 1wyl h LEU 71 N -0.23 0.00 0.00 0.00 3.38 -1.17 0.21 115.31 117.50 1wyl h LEU 71 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1wyl h LEU 71 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1wyl h LEU 71 CO -0.72 0.00 -0.01 0.50 0.09 0.00 0.00 178.44 178.31 1wyl h LYS 72 N 0.00 0.00 0.00 1.13 3.64 0.11 -2.50 116.57 118.95 1wyl h LYS 72 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1wyl h LYS 72 Cb 0.98 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.80 1wyl h LYS 72 CO -0.00 0.00 0.29 0.28 -2.27 0.00 0.00 179.45 177.75 1wyl h VAL 73 N -0.16 0.00 0.11 2.00 2.07 -0.46 0.27 116.25 120.08 1wyl h VAL 73 Ca 0.00 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.19 1wyl h VAL 73 Cb 0.01 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1wyl h VAL 73 CO 0.00 0.00 -1.73 0.00 0.02 0.00 0.00 177.57 175.86 1wyl h ALA 74 N 1.35 0.40 0.00 1.67 0.00 -0.70 -2.55 119.26 119.43 1wyl h ALA 74 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.64 1wyl h ALA 74 Cb 0.58 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1wyl h ALA 74 CO 0.00 1.26 -0.28 1.49 0.00 0.00 0.00 179.25 181.73 1wyl h GLU 75 N 0.06 0.00 0.00 0.00 4.22 -0.14 0.93 114.58 119.65 1wyl h GLU 75 Ca -0.32 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.12 1wyl h GLU 75 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 1wyl h GLU 75 CO 0.13 0.00 -0.29 0.09 -2.18 0.00 0.00 179.01 176.76 1wyl n ASN 76 N -2.59 0.77 0.09 1.04 3.02 0.48 -3.65 115.26 114.41 1wyl n ASN 76 Ca 0.04 0.30 -0.04 0.00 -0.03 0.00 0.00 54.58 54.85 1wyl n ASN 76 Cb 0.49 -0.63 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 -0.41 -0.25 0.00 3.52 4.39 -1.65 -3.28 114.58 116.90 1wyl h GLU 77 Ca 0.00 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1wyl h GLU 77 Cb 0.29 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1wyl h GLU 77 CO 0.00 -0.16 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.55 1wyl h LEU 78 N -0.46 0.00 0.14 1.33 3.38 -1.51 -3.46 115.31 114.74 1wyl h LEU 78 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1wyl h LEU 78 Cb 0.20 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1wyl h LEU 78 CO 0.04 0.07 -0.05 0.61 0.09 0.00 0.00 178.44 179.20 1wyl n GLY 79 N -0.42 0.47 3.56 0.83 0.00 0.25 -4.91 105.19 104.97 1wyl n GLY 79 Ca -0.01 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.66 3.62 0.10 -0.61 -1.09 0.25 -4.80 121.20 117.01 1wyl s ILE 80 Ca 0.00 -0.46 -0.35 0.00 -2.23 0.00 0.00 60.65 57.61 1wyl s ILE 80 Cb 0.00 -4.41 -0.18 0.00 -1.58 0.00 0.00 42.46 36.29 1wyl s ILE 80 CO 0.00 -1.33 1.02 0.41 -1.23 0.00 0.00 174.94 173.81 1wyl n THR 81 N 7.45 0.67 -2.06 2.92 -1.04 -1.26 -3.87 114.28 117.08 1wyl n THR 81 Ca 0.36 -0.17 -0.40 0.00 -2.04 0.00 0.00 64.05 61.80 1wyl n THR 81 Cb 0.49 -0.34 -0.03 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.26 2.86 0.14 -2.82 0.04 -1.26 -4.84 135.00 128.86 1wyl s PRO 82 Ca 0.80 0.82 0.05 0.00 0.04 0.00 0.00 61.00 62.71 1wyl s PRO 82 Cb -1.04 -4.32 -0.11 0.00 0.04 0.00 0.00 34.50 29.07 1wyl s PRO 82 CO 0.54 -2.44 1.32 -0.24 0.04 0.00 0.00 177.00 176.22 1wyl h VAL 83 N 6.83 1.62 -3.68 -0.36 3.04 -1.93 -3.45 116.25 118.33 1wyl h VAL 83 Ca -0.28 -3.09 -0.67 0.00 -1.01 0.00 0.00 66.70 61.65 1wyl h VAL 83 Cb 1.16 2.71 -0.18 0.00 -2.01 0.00 0.00 31.29 32.97 1wyl h VAL 83 CO 1.17 0.89 -0.77 -0.69 -1.01 0.00 0.00 177.57 177.15 1wyl s VAL 84 N -2.90 3.09 -0.09 1.51 1.01 -1.26 -5.02 120.40 116.73 1wyl s VAL 84 Ca -0.00 -1.35 -0.28 0.00 0.00 0.00 0.00 61.98 60.35 1wyl s VAL 84 Cb 0.10 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 34.05 1wyl s VAL 84 CO 0.82 0.14 0.93 -0.44 0.00 0.00 0.00 175.10 176.55 1wyl s SER 85 N -2.07 7.18 0.35 3.32 0.01 -1.26 -4.89 113.70 116.34 1wyl s SER 85 Ca 0.19 1.45 0.29 0.00 1.31 0.00 0.00 55.95 59.18 1wyl s SER 85 Cb -0.11 -2.52 1.16 0.00 0.21 0.00 0.00 66.02 64.76 1wyl s SER 85 CO 0.11 -0.35 1.14 0.00 0.41 0.00 0.00 173.24 174.55 1wyl n ALA 86 N 4.65 1.15 0.11 1.44 0.00 -1.26 0.16 120.51 126.75 1wyl n ALA 86 Ca 0.06 0.58 -0.13 0.00 0.00 0.00 0.00 53.44 53.95 1wyl n ALA 86 Cb 0.50 -0.80 -0.08 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.28 -0.65 0.00 -0.00 -1.97 -3.07 115.11 109.14 1wyl h GLN 87 Ca 0.66 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 59.41 1wyl h GLN 87 Cb 2.34 0.06 -0.06 0.00 0.00 0.00 0.00 27.48 29.82 1wyl h GLN 87 CO -0.22 0.06 0.33 0.00 0.00 0.00 0.00 178.83 179.00 1wyl h ALA 88 N 0.01 0.88 -0.43 3.38 0.00 0.11 0.25 119.26 123.45 1wyl h ALA 88 Ca -0.03 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.01 1wyl h ALA 88 Cb 0.47 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1wyl h ALA 88 CO 0.05 -0.05 -0.27 0.28 0.00 0.00 0.00 179.25 179.26 1wyl h VAL 89 N 0.58 0.29 0.13 0.00 2.07 -1.39 0.11 116.25 118.05 1wyl h VAL 89 Ca 0.31 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.82 1wyl h VAL 89 Cb 0.28 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1wyl h VAL 89 CO -0.23 0.00 -0.06 0.58 0.02 0.00 0.00 177.57 177.87 1wyl h VAL 90 N -0.19 0.97 0.00 2.57 2.07 -1.35 -3.11 116.25 117.21 1wyl h VAL 90 Ca 0.20 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1wyl h VAL 90 Cb 0.50 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.89 1wyl h VAL 90 CO -0.54 0.25 0.47 0.00 0.02 0.00 0.00 177.57 177.77 1wyl h ALA 91 N -0.17 1.41 -0.84 1.67 0.00 -0.29 -3.44 119.26 117.60 1wyl h ALA 91 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.67 1wyl h ALA 91 Cb 0.55 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1wyl h ALA 91 CO 0.03 -0.41 -0.20 0.41 0.00 0.00 0.00 179.25 179.08 1wyl n GLY 92 N -1.29 1.02 0.01 0.00 0.00 0.35 -4.77 105.19 100.51 1wyl n GLY 92 Ca -0.01 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1wyl n GLY 92 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wyl n SER 93 N -0.55 0.12 -3.57 1.61 7.64 -1.23 -4.40 113.62 113.24 1wyl n SER 93 Ca -0.11 0.25 -0.29 0.00 1.01 0.00 0.00 58.87 59.74 1wyl n SER 93 Cb 0.47 -0.32 -0.12 0.00 -1.01 0.00 0.00 64.21 63.24 1wyl n SER 93 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wyl s ASP 94 N -2.94 2.98 -0.02 6.43 1.11 -1.26 -4.99 116.67 117.98 1wyl s ASP 94 Ca 0.15 -2.73 -0.25 0.00 0.18 0.00 0.00 52.55 49.90 1wyl s ASP 94 Cb 0.19 -0.75 -0.20 0.00 1.07 0.00 0.00 42.92 43.23 1wyl s ASP 94 CO 0.55 -0.24 1.23 1.55 1.18 0.00 0.00 175.17 179.44 1wyl h PRO 95 N 6.40 -0.06 -0.51 8.23 0.13 -1.91 -3.20 132.00 141.09 1wyl h PRO 95 Ca 0.10 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 65.33 1wyl h PRO 95 Cb 0.92 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 31.96 1wyl h PRO 95 CO 0.41 0.41 -0.22 -0.07 -0.23 0.00 0.00 178.00 178.31 1wyl h LEU 96 N -0.55 -0.76 -0.22 1.56 4.07 -1.94 -0.76 115.31 116.72 1wyl h LEU 96 Ca -0.01 0.18 0.05 0.00 0.08 0.00 0.00 57.88 58.19 1wyl h LEU 96 Cb 0.49 0.42 -0.07 0.00 1.08 0.00 0.00 40.66 42.58 1wyl h LEU 96 CO 0.01 -0.24 -0.38 1.23 -1.08 0.00 0.00 178.44 177.97 1wyl h GLY 97 N -0.10 -0.54 0.53 0.83 0.00 -1.97 0.08 103.07 101.90 1wyl h GLY 97 Ca 0.24 0.48 0.04 0.00 0.00 0.00 0.00 47.33 48.08 1wyl h GLY 97 CO -0.57 -0.21 -0.11 -2.00 0.00 0.00 0.00 176.54 173.64 1wyl h LEU 98 N -0.40 -0.35 -0.72 3.11 5.85 -1.36 0.15 115.31 121.58 1wyl h LEU 98 Ca 0.11 0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.03 1wyl h LEU 98 Cb 0.59 0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.70 1wyl h LEU 98 CO -0.44 -0.15 0.27 0.40 -0.34 0.00 0.00 178.44 178.19 1wyl h ILE 99 N -0.12 0.67 -0.32 4.05 2.04 -0.57 -1.23 117.51 122.04 1wyl h ILE 99 Ca 0.09 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.72 1wyl h ILE 99 Cb 0.25 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1wyl h ILE 99 CO -0.22 0.08 -0.14 0.00 0.00 0.00 0.00 178.15 177.86 1wyl h ALA 100 N 1.52 0.44 -0.39 1.87 0.00 -0.31 -2.93 119.26 119.47 1wyl h ALA 100 Ca 0.39 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1wyl h ALA 100 Cb 0.57 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 1wyl h ALA 100 CO -0.39 0.34 -0.05 -0.92 0.00 0.00 0.00 179.25 178.23 1wyl h TYR 101 N 0.42 -0.11 -0.71 0.00 3.20 0.34 -0.70 116.97 119.41 1wyl h TYR 101 Ca 0.07 0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1wyl h TYR 101 Cb 0.67 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1wyl h TYR 101 CO 0.06 -0.12 0.47 -0.07 -1.64 0.00 0.00 178.16 176.86 1wyl h LEU 102 N 0.05 0.75 -1.20 2.82 3.38 -1.26 -1.84 115.31 118.01 1wyl h LEU 102 Ca 0.19 -0.01 0.19 0.00 0.09 0.00 0.00 57.88 58.33 1wyl h LEU 102 Cb 0.28 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 40.76 1wyl h LEU 102 CO -0.36 0.52 0.61 -1.28 0.09 0.00 0.00 178.44 178.02 1wyl h SER 103 N 0.87 0.66 -0.69 -0.43 0.87 -0.93 0.41 113.55 114.32 1wyl h SER 103 Ca 0.28 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.87 1wyl h SER 103 Cb 0.03 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 61.91 1wyl h SER 103 CO -0.08 0.26 0.28 0.45 -0.53 0.00 0.00 176.83 177.21 1wyl h HIS 104 N 0.66 1.04 0.01 2.24 3.86 -1.22 0.16 115.15 121.90 1wyl h HIS 104 Ca 0.53 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.66 1wyl h HIS 104 Cb 0.95 -0.31 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 1wyl h HIS 104 CO -0.00 0.81 -0.02 0.74 0.86 0.00 0.00 177.93 180.32 1wyl h PHE 105 N 0.98 -0.04 0.26 2.45 -1.00 -0.96 -2.47 116.94 116.16 1wyl h PHE 105 Ca 0.23 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.00 1wyl h PHE 105 Cb 0.20 0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1wyl h PHE 105 CO 0.01 -0.03 -0.13 1.25 -1.61 0.00 0.00 178.31 177.81 1wyl h HIS 106 N -0.03 -0.33 -1.21 -0.55 2.76 -1.31 0.18 115.15 114.67 1wyl h HIS 106 Ca 0.00 -0.01 0.39 0.00 -2.20 0.00 0.00 60.37 58.56 1wyl h HIS 106 Cb 0.04 0.11 -0.09 0.00 1.55 0.00 0.00 27.41 29.01 1wyl h HIS 106 CO -0.09 -0.20 0.82 0.43 -1.30 0.00 0.00 177.93 177.58 1wyl n SER 107 N -3.58 0.11 -0.07 3.26 7.64 0.55 0.80 113.62 122.33 1wyl n SER 107 Ca -0.04 0.97 -0.08 0.00 1.01 0.00 0.00 58.87 60.73 1wyl n SER 107 Cb 0.14 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.82 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wyl h ALA 108 N 1.08 0.05 -0.37 -0.43 0.00 -1.42 -3.37 119.26 114.80 1wyl h ALA 108 Ca 0.69 -0.56 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 1wyl h ALA 108 Cb 2.42 0.44 -0.11 0.00 0.00 0.00 0.00 17.79 20.54 1wyl h ALA 108 CO -0.25 0.43 0.32 1.19 0.00 0.00 0.00 179.25 180.94 1wyl n PHE 109 N -4.61 1.19 -1.11 0.00 3.01 0.69 -4.94 117.46 111.69 1wyl n PHE 109 Ca -0.11 -1.68 -0.29 0.00 1.01 0.00 0.00 57.45 56.38 1wyl n PHE 109 Cb 0.31 -0.82 0.17 0.00 -0.01 0.00 0.00 39.48 39.14 1wyl n PHE 109 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1wyl s LYS 110 N -1.39 0.48 -1.26 -1.08 1.02 0.24 -3.41 119.74 114.34 1wyl s LYS 110 Ca 0.24 0.63 -0.16 0.00 0.02 0.00 0.00 55.97 56.70 1wyl s LYS 110 Cb 0.19 -1.73 0.16 0.00 -0.52 0.00 0.00 37.83 35.92 1wyl s LYS 110 CO 0.00 -2.72 0.40 0.45 -0.92 0.00 0.00 175.35 172.56 1wyl n SER 111 N -4.19 -1.48 -2.71 2.83 2.88 -1.26 -4.88 113.62 104.81 1wyl n SER 111 Ca 0.05 -0.71 0.00 0.00 -1.33 0.00 0.00 58.87 56.89 1wyl n SER 111 Cb 0.56 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 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 -0.86 -0.52 3.55 0.46 0.00 -1.22 -4.92 105.19 101.68 1wyl n GLY 112 Ca 0.08 -1.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.08 1wyl n GLY 112 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wyl s PRO 113 N 0.17 2.60 -0.39 1.61 0.04 -1.26 -4.94 135.00 132.83 1wyl s PRO 113 Ca 0.00 0.37 -0.03 0.00 0.04 0.00 0.00 61.00 61.38 1wyl s PRO 113 Cb 0.00 -4.57 0.10 0.00 0.04 0.00 0.00 34.50 30.07 1wyl s PRO 113 CO 0.00 -2.91 0.18 0.45 0.04 0.00 0.00 177.00 174.75 1wyl s SER 114 N 8.10 5.23 0.00 6.66 0.15 -1.26 -4.98 113.70 127.60 1wyl s SER 114 Ca 0.68 -1.88 -0.30 0.00 0.70 0.00 0.00 55.95 55.15 1wyl s SER 114 Cb -0.11 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.34 1wyl s SER 114 CO 0.15 -0.50 1.14 -0.94 1.20 0.00 0.00 173.24 174.29 1wyl s SER 115 N 1.75 7.15 0.00 5.45 1.04 -1.26 -5.23 113.70 122.59 1wyl s SER 115 Ca 0.06 1.84 0.22 0.00 0.48 0.00 0.00 55.95 58.55 1wyl s SER 115 Cb -0.22 -2.57 1.31 0.00 0.10 0.00 0.00 66.02 64.64 1wyl s SER 115 CO -0.03 -0.46 1.69 0.61 0.98 0.00 0.00 173.24 176.03