#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 -0.59 0.04 1.61 0.01 -1.26 -5.07 113.70 108.44 1wyl s SER 2 Ca 0.00 1.03 -0.32 0.00 1.31 0.00 0.00 55.95 57.97 1wyl s SER 2 Cb 0.00 0.94 -0.18 0.00 0.21 0.00 0.00 66.02 66.99 1wyl s SER 2 CO 0.00 -0.20 1.42 -1.28 0.41 0.00 0.00 173.24 173.59 1wyl h SER 3 N 6.65 -0.88 0.00 2.44 0.87 -2.06 -3.49 113.55 117.08 1wyl h SER 3 Ca -0.33 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 1wyl h SER 3 Cb 1.19 0.23 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 1wyl h SER 3 CO 0.25 -0.56 0.00 0.61 -0.53 0.00 0.00 176.83 176.59 1wyl n GLY 4 N -1.20 1.44 4.13 5.77 0.00 -1.26 -4.98 105.19 109.09 1wyl n GLY 4 Ca -0.14 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 1wyl n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wyl n SER 5 N 0.00 -2.62 -4.92 1.61 7.64 -1.26 -4.95 113.62 109.12 1wyl n SER 5 Ca 0.00 -0.99 -0.20 0.00 1.01 0.00 0.00 58.87 58.69 1wyl n SER 5 Cb 0.00 -2.92 -0.02 0.00 -1.01 0.00 0.00 64.21 60.27 1wyl n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1wyl s SER 6 N -3.59 5.18 -0.40 6.43 0.01 -1.26 -5.02 113.70 115.06 1wyl s SER 6 Ca 0.54 -0.69 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 1wyl s SER 6 Cb -0.29 -0.51 0.01 0.00 0.21 0.00 0.00 66.02 65.44 1wyl s SER 6 CO 0.91 -0.73 2.91 0.61 0.41 0.00 0.00 173.24 177.35 1wyl n GLY 7 N -1.66 4.14 3.22 3.44 0.00 -1.26 -4.89 105.19 108.19 1wyl n GLY 7 Ca 0.05 -1.78 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1wyl n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1wyl s THR 8 N -1.70 0.39 -0.33 2.61 -1.32 -1.26 -5.04 115.64 108.98 1wyl s THR 8 Ca 0.60 -1.96 0.09 0.00 -1.21 0.00 0.00 61.69 59.21 1wyl s THR 8 Cb 0.37 -2.24 0.72 0.00 -1.51 0.00 0.00 72.50 69.84 1wyl s THR 8 CO -0.19 -0.32 1.80 0.00 -2.21 0.00 0.00 174.62 173.70 1wyl n GLN 9 N -0.24 3.46 -0.09 7.08 3.00 -1.26 -4.52 117.38 124.81 1wyl n GLN 9 Ca -0.04 -3.09 -0.11 0.00 -0.01 0.00 0.00 57.00 53.75 1wyl n GLN 9 Cb 0.64 -2.19 -0.04 0.00 0.00 0.00 0.00 30.24 28.65 1wyl n GLN 9 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 1wyl h GLU 10 N 2.38 0.48 0.00 -1.09 4.81 -1.96 0.16 114.58 119.36 1wyl h GLU 10 Ca 0.30 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1wyl h GLU 10 Cb 2.35 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 31.68 1wyl h GLU 10 CO 0.75 0.68 -0.48 1.05 -0.73 0.00 0.00 179.01 180.28 1wyl h GLU 11 N 0.24 0.00 0.04 1.92 9.09 -1.99 -2.48 114.58 121.40 1wyl h GLU 11 Ca 0.07 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.48 1wyl h GLU 11 Cb 0.48 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.58 1wyl h GLU 11 CO 0.02 0.48 -0.02 1.25 0.05 0.00 0.00 179.01 180.79 1wyl h LEU 12 N 0.00 -0.05 0.49 3.06 5.85 -1.81 -2.80 115.31 120.04 1wyl h LEU 12 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.10 1wyl h LEU 12 Cb 0.94 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1wyl h LEU 12 CO 0.06 0.69 -0.47 0.25 -0.34 0.00 0.00 178.44 178.64 1wyl h LEU 13 N -0.91 -1.27 -0.26 2.25 5.85 -0.73 -1.14 115.31 119.10 1wyl h LEU 13 Ca -0.01 0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1wyl h LEU 13 Cb 0.65 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 42.02 1wyl h LEU 13 CO 0.01 -0.63 -0.28 0.03 -0.34 0.00 0.00 178.44 177.22 1wyl h ARG 14 N -0.96 -0.27 -0.52 1.25 3.08 -1.61 0.12 114.38 115.47 1wyl h ARG 14 Ca -0.05 0.02 0.10 0.00 0.07 0.00 0.00 59.98 60.12 1wyl h ARG 14 Cb 0.83 0.06 -0.10 0.00 0.08 0.00 0.00 29.97 30.84 1wyl h ARG 14 CO -0.05 -0.18 -0.16 2.35 -1.07 0.00 0.00 179.97 180.86 1wyl h TRP 15 N -0.28 -0.36 -0.65 3.04 7.01 -1.32 -0.44 115.95 122.95 1wyl h TRP 15 Ca 0.14 0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1wyl h TRP 15 Cb 0.50 0.24 -0.03 0.00 -2.10 0.00 0.00 29.16 27.77 1wyl h TRP 15 CO -0.44 -0.25 0.35 0.00 -2.79 0.00 0.00 178.44 175.31 1wyl h GLN 17 N 0.89 0.42 -0.64 0.00 4.20 0.81 0.24 115.11 121.03 1wyl h GLN 17 Ca 0.23 -0.03 -0.09 0.00 0.06 0.00 0.00 58.65 58.82 1wyl h GLN 17 Cb 0.05 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1wyl h GLN 17 CO -0.04 0.28 0.05 0.93 -0.67 0.00 0.00 178.83 179.38 1wyl h GLU 18 N 0.44 1.10 0.61 1.46 4.39 -0.98 0.14 114.58 121.74 1wyl h GLU 18 Ca 0.35 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1wyl h GLU 18 Cb 0.46 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1wyl h GLU 18 CO -0.34 1.04 -0.29 1.96 -1.16 0.00 0.00 179.01 180.21 1wyl h GLN 19 N 1.01 -0.79 -0.80 2.33 1.08 -0.68 -3.24 115.11 114.03 1wyl h GLN 19 Ca 0.19 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1wyl h GLN 19 Cb 0.51 0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 28.08 1wyl h GLN 19 CO 0.02 -0.48 0.53 1.79 -0.95 0.00 0.00 178.83 179.74 1wyl h THR 20 N -1.11 1.20 -0.79 -0.54 1.35 -0.62 -3.45 112.91 108.96 1wyl h THR 20 Ca -0.08 -0.37 -0.57 0.00 -0.55 0.00 0.00 66.41 64.84 1wyl h THR 20 Cb 0.67 0.03 0.07 0.00 -1.73 0.00 0.00 68.15 67.19 1wyl h THR 20 CO 0.14 0.20 -0.25 0.00 -0.25 0.00 0.00 175.52 175.36 1wyl n ALA 21 N -2.32 -2.68 0.00 6.62 0.00 0.50 -1.96 120.51 120.67 1wyl n ALA 21 Ca 0.08 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1wyl n ALA 21 Cb 0.01 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.15 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 1.43 2.95 3.52 0.00 0.00 -1.26 -4.99 105.19 106.85 1wyl n GLY 22 Ca 0.15 -0.77 -0.53 0.00 0.00 0.00 0.00 46.02 44.86 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 0.81 -2.04 1.61 4.19 -0.83 -4.79 117.16 116.12 1wyl n TYR 23 Ca 0.00 0.86 -0.37 0.00 3.31 0.00 0.00 57.90 61.70 1wyl n TYR 23 Cb 0.00 -2.17 -0.03 0.00 0.49 0.00 0.00 39.34 37.63 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 -0.19 2.61 0.00 2.98 0.04 -1.26 -2.95 135.00 136.24 1wyl s PRO 24 Ca 0.80 0.52 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1wyl s PRO 24 Cb -1.04 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.04 1wyl s PRO 24 CO 0.54 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.18 1wyl n GLY 25 N 5.82 0.98 2.90 0.56 0.00 -1.26 -5.11 105.19 109.08 1wyl n GLY 25 Ca 0.23 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.95 -0.49 -0.51 1.61 1.01 -1.15 -4.80 120.40 114.11 1wyl s VAL 26 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.01 1wyl s VAL 26 Cb 0.00 -0.71 0.19 0.00 0.00 0.00 0.00 36.38 35.86 1wyl s VAL 26 CO 0.00 -0.10 0.45 1.57 0.00 0.00 0.00 175.10 177.02 1wyl n HIS 27 N 5.35 0.79 -1.81 5.22 -0.00 -1.26 -4.68 115.22 118.82 1wyl n HIS 27 Ca -0.05 -3.71 -0.27 0.00 0.46 0.00 0.00 57.72 54.15 1wyl n HIS 27 Cb 0.50 -0.16 -0.05 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 0.46 0.00 0.00 176.34 176.88 1wyl s VAL 28 N -0.81 3.22 -0.37 3.57 1.01 -1.26 -4.72 120.40 121.03 1wyl s VAL 28 Ca 0.32 -0.08 0.23 0.00 0.00 0.00 0.00 61.98 62.45 1wyl s VAL 28 Cb 0.05 -3.51 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 1wyl s VAL 28 CO -0.16 -0.49 1.06 -0.24 0.00 0.00 0.00 175.10 175.27 1wyl n SER 29 N 15.52 0.72 -3.60 3.32 2.88 -1.26 -4.76 113.62 126.44 1wyl n SER 29 Ca 0.38 0.17 -0.05 0.00 -1.33 0.00 0.00 58.87 58.04 1wyl n SER 29 Cb 0.48 0.55 -0.03 0.00 -0.75 0.00 0.00 64.21 64.47 1wyl n SER 29 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1wyl s ASP 30 N -4.81 -0.15 -0.11 -3.46 1.47 -1.26 -5.01 116.67 103.34 1wyl s ASP 30 Ca 0.01 0.05 0.00 0.00 1.18 0.00 0.00 52.55 53.80 1wyl s ASP 30 Cb 0.11 0.15 0.11 0.00 -0.34 0.00 0.00 42.92 42.95 1wyl s ASP 30 CO 0.79 -0.22 1.53 0.18 0.68 0.00 0.00 175.17 178.13 1wyl n LEU 31 N 0.11 4.61 0.00 2.11 4.77 -1.26 -3.84 117.00 123.50 1wyl n LEU 31 Ca -0.01 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 1wyl n LEU 31 Cb 0.58 -0.79 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1wyl n LEU 31 CO 0.09 0.81 0.00 -1.20 -1.33 0.00 0.00 177.39 175.77 1wyl n SER 32 N 0.53 0.00 0.00 -1.43 7.64 -1.26 -4.83 113.62 114.26 1wyl n SER 32 Ca 0.12 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1wyl n SER 32 Cb 0.65 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 1wyl n SER 32 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wyl n SER 33 N -1.76 4.96 -0.37 6.43 7.64 -1.26 -4.56 113.62 124.71 1wyl n SER 33 Ca 0.00 0.00 0.38 0.00 1.01 0.00 0.00 58.87 60.26 1wyl n SER 33 Cb 0.00 0.61 0.73 0.00 -1.01 0.00 0.00 64.21 64.54 1wyl n SER 33 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1wyl h SER 34 N 0.00 0.00 0.64 6.43 0.02 -1.92 1.56 113.55 120.28 1wyl h SER 34 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1wyl h SER 34 Cb 0.77 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 1wyl h SER 34 CO 0.00 0.00 -1.43 0.79 -1.14 0.00 0.00 176.83 175.05 1wyl n TRP 35 N -3.94 0.75 -0.63 3.45 7.02 -1.26 -4.26 117.44 118.58 1wyl n TRP 35 Ca 0.29 0.24 -0.03 0.00 -1.02 0.00 0.00 57.50 56.97 1wyl n TRP 35 Cb 1.43 -0.94 -0.05 0.00 -2.42 0.00 0.00 31.31 29.34 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 -2.32 4.60 0.00 6.99 0.00 0.53 -3.27 120.51 127.04 1wyl n ALA 36 Ca -0.07 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.88 1wyl n ALA 36 Cb 0.71 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.80 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 1.78 3.83 0.00 0.00 8.00 -1.24 -4.59 116.55 124.34 1wyl n ASP 37 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1wyl n ASP 37 Cb 0.61 0.47 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 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 2.30 2.74 0.17 0.44 0.00 -1.20 -4.46 105.19 105.18 1wyl n GLY 38 Ca 0.00 -0.77 -0.05 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 -0.39 -0.39 0.99 3.38 -1.88 -2.62 115.31 114.40 1wyl h LEU 39 Ca 0.00 0.12 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1wyl h LEU 39 Cb 0.00 0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 1wyl h LEU 39 CO 0.00 -0.14 -0.23 0.00 0.09 0.00 0.00 178.44 178.16 1wyl n ALA 40 N -2.69 -0.25 -0.17 1.53 0.00 -1.26 0.17 120.51 117.84 1wyl n ALA 40 Ca 0.02 0.33 0.05 0.00 0.00 0.00 0.00 53.44 53.84 1wyl n ALA 40 Cb 0.22 0.10 0.33 0.00 0.00 0.00 0.00 19.45 20.11 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 0.69 0.18 0.00 3.38 -1.76 -2.50 115.31 115.31 1wyl h LEU 41 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1wyl h LEU 41 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1wyl h LEU 41 CO -0.37 0.46 -0.16 0.00 0.09 0.00 0.00 178.44 178.47 1wyl h ALA 43 N 0.43 0.11 -0.36 0.00 0.00 -0.22 0.12 119.26 119.34 1wyl h ALA 43 Ca -0.00 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1wyl h ALA 43 Cb 0.33 0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 1wyl h ALA 43 CO -0.02 -0.49 -0.05 1.25 0.00 0.00 0.00 179.25 179.94 1wyl h LEU 44 N -0.03 -0.24 0.37 0.00 5.85 -1.28 0.18 115.31 120.16 1wyl h LEU 44 Ca 0.10 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 1wyl h LEU 44 Cb 0.18 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.40 1wyl h LEU 44 CO -0.23 -0.08 -0.18 0.58 -0.34 0.00 0.00 178.44 178.19 1wyl h VAL 45 N 0.05 0.00 -0.59 1.05 2.07 -0.80 -2.28 116.25 115.74 1wyl h VAL 45 Ca 0.17 -0.08 0.08 0.00 0.82 0.00 0.00 66.70 67.70 1wyl h VAL 45 Cb 0.26 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.92 1wyl h VAL 45 CO -0.33 0.00 -0.46 1.88 0.02 0.00 0.00 177.57 178.67 1wyl h TYR 46 N -0.58 -1.39 -0.37 1.57 0.05 -0.72 -1.72 116.97 113.81 1wyl h TYR 46 Ca -0.05 0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.86 1wyl h TYR 46 Cb 0.38 0.69 -0.08 0.00 1.01 0.00 0.00 36.73 38.73 1wyl h TYR 46 CO 0.10 -0.43 -0.56 -0.09 -1.05 0.00 0.00 178.16 176.14 1wyl h ARG 47 N -0.23 -0.41 -0.79 4.88 9.65 -0.71 -2.07 114.38 124.70 1wyl h ARG 47 Ca 0.17 0.03 0.07 0.00 -1.10 0.00 0.00 59.98 59.14 1wyl h ARG 47 Cb 0.56 0.09 -0.09 0.00 -1.39 0.00 0.00 29.97 29.14 1wyl h ARG 47 CO -0.70 -0.27 -0.46 1.28 2.80 0.00 0.00 179.97 182.62 1wyl n LEU 48 N -5.37 -0.84 -4.08 3.80 4.77 -0.67 -3.66 117.00 110.97 1wyl n LEU 48 Ca -0.04 1.43 -0.33 0.00 -0.03 0.00 0.00 56.01 57.05 1wyl n LEU 48 Cb 0.34 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.10 1wyl n LEU 48 CO 0.02 -1.16 -0.36 -1.58 -1.33 0.00 0.00 177.39 172.97 1wyl s GLN 49 N -5.33 1.99 0.38 3.23 -0.44 -0.78 -4.97 119.66 113.75 1wyl s GLN 49 Ca -0.09 -1.57 0.17 0.00 -2.50 0.00 0.00 55.36 51.37 1wyl s GLN 49 Cb 0.09 -3.13 0.76 0.00 -1.64 0.00 0.00 33.01 29.09 1wyl s GLN 49 CO 0.49 -0.76 1.79 -1.00 0.50 0.00 0.00 175.29 176.31 1wyl h PRO 50 N 7.79 0.00 -0.91 1.67 0.13 -1.61 -3.12 132.00 135.95 1wyl h PRO 50 Ca -0.14 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 65.09 1wyl h PRO 50 Cb 1.04 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.10 1wyl h PRO 50 CO 0.52 0.37 0.59 0.78 -0.23 0.00 0.00 178.00 180.02 1wyl h GLY 51 N 1.59 1.34 -1.72 1.56 0.00 -1.93 -3.43 103.07 100.48 1wyl h GLY 51 Ca -0.00 -0.38 -0.54 0.00 0.00 0.00 0.00 47.33 46.40 1wyl h GLY 51 CO 0.05 0.22 0.38 1.08 0.00 0.00 0.00 176.54 178.27 1wyl s LEU 52 N -9.98 3.25 0.96 3.11 1.43 -1.18 -4.96 118.68 111.30 1wyl s LEU 52 Ca -0.11 2.39 -0.14 0.00 -1.03 0.00 0.00 54.13 55.24 1wyl s LEU 52 Cb 0.21 -4.59 0.09 0.00 0.03 0.00 0.00 46.19 41.93 1wyl s LEU 52 CO 0.80 -2.45 -0.00 0.00 0.23 0.00 0.00 176.35 174.92 1wyl n LEU 53 N -2.95 -1.80 -4.67 1.79 -0.00 -1.26 -5.01 117.00 103.11 1wyl n LEU 53 Ca 0.14 -0.25 -0.23 0.00 -0.00 0.00 0.00 56.01 55.67 1wyl n LEU 53 Cb 0.50 -0.73 -0.07 0.00 -0.00 0.00 0.00 43.42 43.12 1wyl n LEU 53 CO 0.48 -2.96 -0.31 -1.61 -0.00 0.00 0.00 177.39 172.99 1wyl s GLU 54 N -3.09 2.37 0.00 1.47 0.41 -1.26 -4.96 118.70 113.65 1wyl s GLU 54 Ca 0.34 -1.35 0.04 0.00 -0.41 0.00 0.00 54.97 53.59 1wyl s GLU 54 Cb -0.04 -2.22 0.22 0.00 -1.78 0.00 0.00 34.13 30.31 1wyl s GLU 54 CO 0.38 0.38 0.69 -0.35 -0.49 0.00 0.00 175.26 175.87 1wyl n PRO 55 N -0.87 0.49 -0.35 0.39 -0.04 -1.26 -4.13 135.00 129.22 1wyl n PRO 55 Ca -0.07 0.00 0.29 0.00 -0.04 0.00 0.00 63.50 63.68 1wyl n PRO 55 Cb 0.59 -1.12 0.48 0.00 -0.04 0.00 0.00 33.50 33.40 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 -0.62 0.11 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 63.39 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 0.26 -0.66 4.33 5.08 -2.00 -3.35 114.58 118.24 1wyl h GLU 57 Ca 0.60 -0.45 0.16 0.00 -1.00 0.00 0.00 59.36 58.67 1wyl h GLU 57 Cb 2.04 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 31.42 1wyl h GLU 57 CO -0.25 1.21 0.46 -0.07 -1.00 0.00 0.00 179.01 179.36 1wyl h LEU 58 N -0.14 0.16 -0.96 1.33 4.07 0.30 -1.01 115.31 119.06 1wyl h LEU 58 Ca -0.37 0.01 0.22 0.00 0.08 0.00 0.00 57.88 57.82 1wyl h LEU 58 Cb 1.90 -0.02 -0.12 0.00 1.08 0.00 0.00 40.66 43.50 1wyl h LEU 58 CO 0.07 0.08 0.54 0.06 -1.08 0.00 0.00 178.44 178.11 1wyl h GLN 59 N 0.17 0.57 -0.82 1.13 3.07 -1.17 0.46 115.11 118.53 1wyl h GLN 59 Ca 0.32 -0.03 -0.54 0.00 0.09 0.00 0.00 58.65 58.49 1wyl h GLN 59 Cb 1.01 -0.13 -0.29 0.00 0.08 0.00 0.00 27.48 28.14 1wyl h GLN 59 CO -0.05 0.38 0.27 0.41 0.09 0.00 0.00 178.83 179.93 1wyl n GLY 60 N -1.32 5.62 3.55 0.06 0.00 -0.39 -4.99 105.19 107.72 1wyl n GLY 60 Ca 0.24 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 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 -3.59 2.87 0.79 0.99 1.43 0.15 -5.10 118.68 116.22 1wyl s LEU 61 Ca 0.57 -0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 52.79 1wyl s LEU 61 Cb 0.46 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 45.30 1wyl s LEU 61 CO 0.02 0.06 1.16 -0.83 0.23 0.00 0.00 176.35 176.99 1wyl s GLY 62 N -3.25 1.98 0.33 -3.19 0.00 -1.26 -4.74 107.32 97.20 1wyl s GLY 62 Ca 0.28 0.64 0.12 0.00 0.00 0.00 0.00 44.72 45.76 1wyl s GLY 62 CO 0.16 1.04 1.67 0.00 0.00 0.00 0.00 173.10 175.97 1wyl h ALA 63 N -0.96 1.85 0.02 3.20 0.00 -1.97 -1.10 119.26 120.31 1wyl h ALA 63 Ca -0.45 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1wyl h ALA 63 Cb 1.27 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.21 1wyl h ALA 63 CO 0.48 -0.51 -0.32 1.25 0.00 0.00 0.00 179.25 180.14 1wyl h LEU 64 N 0.35 0.08 -0.95 0.00 5.85 -1.90 -3.29 115.31 115.45 1wyl h LEU 64 Ca 0.70 -0.93 0.36 0.00 0.84 0.00 0.00 57.88 58.85 1wyl h LEU 64 Cb 1.54 -0.03 -0.17 0.00 0.37 0.00 0.00 40.66 42.37 1wyl h LEU 64 CO -0.59 1.14 0.38 -0.62 -0.34 0.00 0.00 178.44 178.40 1wyl n GLU 65 N -4.49 -0.06 0.09 1.25 -0.58 -0.48 0.44 120.64 116.81 1wyl n GLU 65 Ca -0.14 1.34 -0.13 0.00 -0.42 0.00 0.00 57.16 57.81 1wyl n GLU 65 Cb 0.57 -2.33 -0.08 0.00 -0.57 0.00 0.00 31.44 29.03 1wyl n GLU 65 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wyl h ALA 66 N 1.90 -0.23 -0.84 0.62 0.00 -1.50 -3.11 119.26 116.11 1wyl h ALA 66 Ca 0.74 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.69 1wyl h ALA 66 Cb 1.87 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.64 1wyl h ALA 66 CO -0.78 -0.49 0.34 1.15 0.00 0.00 0.00 179.25 179.48 1wyl h THR 67 N -0.50 0.54 -0.53 0.00 2.02 -0.09 -1.17 112.91 113.18 1wyl h THR 67 Ca -0.02 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.12 1wyl h THR 67 Cb 0.38 0.09 -0.11 0.00 -1.74 0.00 0.00 68.15 66.78 1wyl h THR 67 CO 0.04 0.08 -0.28 0.00 0.37 0.00 0.00 175.52 175.72 1wyl h ALA 68 N 1.65 0.04 0.38 6.16 0.00 -1.24 -2.09 119.26 124.15 1wyl h ALA 68 Ca 0.50 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 1wyl h ALA 68 Cb 0.88 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 1wyl h ALA 68 CO -0.49 -0.62 -0.43 2.35 0.00 0.00 0.00 179.25 180.06 1wyl h TRP 69 N -0.15 -1.19 -0.81 0.00 7.01 -1.26 -1.97 115.95 117.57 1wyl h TRP 69 Ca 0.23 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.32 1wyl h TRP 69 Cb 0.52 0.47 -0.10 0.00 -2.10 0.00 0.00 29.16 27.95 1wyl h TRP 69 CO -0.56 -0.56 -0.48 0.00 -2.79 0.00 0.00 178.44 174.05 1wyl n ALA 70 N -2.74 -0.52 -0.05 2.65 0.00 -0.92 0.22 120.51 119.15 1wyl n ALA 70 Ca -0.10 0.69 0.23 0.00 0.00 0.00 0.00 53.44 54.26 1wyl n ALA 70 Cb 0.38 -0.07 0.70 0.00 0.00 0.00 0.00 19.45 20.46 1wyl n ALA 70 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1wyl h LEU 71 N 0.00 0.00 0.06 0.00 3.38 -1.26 0.30 115.31 117.79 1wyl h LEU 71 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1wyl h LEU 71 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wyl h LEU 71 CO -0.76 0.00 -0.03 0.50 0.09 0.00 0.00 178.44 178.24 1wyl h LYS 72 N 0.00 -0.07 -0.05 1.13 3.64 0.34 -2.14 116.57 119.42 1wyl h LYS 72 Ca 0.30 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.70 1wyl h LYS 72 Cb 1.21 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1wyl h LYS 72 CO -0.00 -0.05 0.27 0.28 -2.27 0.00 0.00 179.45 177.68 1wyl h VAL 73 N -0.30 0.07 0.00 2.00 2.07 -0.28 0.41 116.25 120.22 1wyl h VAL 73 Ca -0.01 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 1wyl h VAL 73 Cb 0.06 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1wyl h VAL 73 CO 0.01 0.00 -1.20 0.00 0.02 0.00 0.00 177.57 176.41 1wyl h ALA 74 N 1.50 0.60 0.00 1.67 0.00 -0.48 -2.55 119.26 120.00 1wyl h ALA 74 Ca 0.02 -0.96 -0.04 0.00 0.00 0.00 0.00 54.91 53.93 1wyl h ALA 74 Cb 0.56 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1wyl h ALA 74 CO -0.00 1.14 -1.29 -1.91 0.00 0.00 0.00 179.25 177.19 1wyl n GLU 75 N -3.13 0.62 -0.04 0.00 0.00 0.11 0.21 120.64 118.40 1wyl n GLU 75 Ca -0.07 0.09 -0.03 0.00 0.00 0.00 0.00 57.16 57.15 1wyl n GLU 75 Cb 0.91 -1.76 -0.01 0.00 0.00 0.00 0.00 31.44 30.57 1wyl n GLU 75 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1wyl h ASN 76 N 0.00 0.00 0.00 4.31 2.35 -0.54 -3.32 115.58 118.38 1wyl h ASN 76 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1wyl h ASN 76 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 1wyl h ASN 76 CO 0.01 0.46 0.00 -0.62 -1.65 0.00 0.00 177.43 175.63 1wyl n GLU 77 N -3.77 0.00 0.00 0.81 -0.58 -0.97 -3.98 120.64 112.15 1wyl n GLU 77 Ca -0.04 0.34 0.22 0.00 -0.42 0.00 0.00 57.16 57.26 1wyl n GLU 77 Cb 0.15 -0.92 0.72 0.00 -0.57 0.00 0.00 31.44 30.83 1wyl n GLU 77 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wyl h LEU 78 N 0.00 0.00 0.00 -4.62 3.38 -1.59 -3.45 115.31 109.03 1wyl h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wyl h LEU 78 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wyl h LEU 78 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 1wyl n GLY 79 N -1.59 0.62 3.56 0.83 0.00 0.91 -4.94 105.19 104.59 1wyl n GLY 79 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.73 3.47 0.20 -0.61 -1.09 0.55 -4.78 121.20 116.21 1wyl s ILE 80 Ca 0.00 -0.17 -0.31 0.00 -2.23 0.00 0.00 60.65 57.94 1wyl s ILE 80 Cb 0.00 -4.11 -0.16 0.00 -1.58 0.00 0.00 42.46 36.62 1wyl s ILE 80 CO 0.00 -1.05 1.01 0.41 -1.23 0.00 0.00 174.94 174.08 1wyl n THR 81 N 7.51 1.36 -2.05 2.92 -1.04 -1.26 -3.74 114.28 117.98 1wyl n THR 81 Ca 0.31 -0.34 -0.32 0.00 -2.04 0.00 0.00 64.05 61.67 1wyl n THR 81 Cb 0.49 -0.72 -0.04 0.00 -1.82 0.00 0.00 70.33 68.24 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 -0.82 2.58 0.50 -2.82 0.04 -1.26 -4.80 135.00 128.43 1wyl s PRO 82 Ca 0.68 0.08 0.29 0.00 0.04 0.00 0.00 61.00 62.09 1wyl s PRO 82 Cb -0.84 -4.79 1.25 0.00 0.04 0.00 0.00 34.50 30.16 1wyl s PRO 82 CO 0.55 -3.11 1.95 -0.24 0.04 0.00 0.00 177.00 176.20 1wyl h VAL 83 N 7.11 0.36 -4.18 -0.36 3.04 -1.93 -3.43 116.25 116.86 1wyl h VAL 83 Ca -0.05 -0.76 -0.49 0.00 -1.01 0.00 0.00 66.70 64.39 1wyl h VAL 83 Cb 1.07 1.56 -0.28 0.00 -2.01 0.00 0.00 31.29 31.63 1wyl h VAL 83 CO 1.21 0.12 -0.81 -0.69 -1.01 0.00 0.00 177.57 176.39 1wyl s VAL 84 N -3.79 1.21 0.48 1.51 1.01 -1.26 -4.99 120.40 114.57 1wyl s VAL 84 Ca -0.00 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1wyl s VAL 84 Cb 0.11 -1.04 -0.07 0.00 0.00 0.00 0.00 36.38 35.38 1wyl s VAL 84 CO 0.59 0.23 1.14 -0.55 0.00 0.00 0.00 175.10 176.51 1wyl s SER 85 N -0.64 6.06 0.31 3.32 0.15 -1.26 -4.85 113.70 116.79 1wyl s SER 85 Ca 0.05 2.23 0.07 0.00 0.70 0.00 0.00 55.95 59.00 1wyl s SER 85 Cb -0.07 -2.59 0.77 0.00 -1.71 0.00 0.00 66.02 62.42 1wyl s SER 85 CO 0.00 -0.99 1.78 0.00 1.20 0.00 0.00 173.24 175.23 1wyl h ALA 86 N 1.78 1.72 0.20 5.45 0.00 -1.98 -0.63 119.26 125.80 1wyl h ALA 86 Ca -0.50 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1wyl h ALA 86 Cb 1.25 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wyl h ALA 86 CO 0.59 -0.09 -0.10 0.37 0.00 0.00 0.00 179.25 180.02 1wyl h GLN 87 N 0.73 -0.26 -0.98 0.00 -0.00 -1.96 -2.88 115.11 109.76 1wyl h GLN 87 Ca 0.58 0.02 0.18 0.00 -0.00 0.00 0.00 58.65 59.43 1wyl h GLN 87 Cb 0.95 0.06 -0.10 0.00 0.00 0.00 0.00 27.48 28.38 1wyl h GLN 87 CO -0.38 0.09 0.59 0.00 0.00 0.00 0.00 178.83 179.14 1wyl h ALA 88 N 0.01 1.60 0.41 3.38 0.00 -1.72 0.95 119.26 123.89 1wyl h ALA 88 Ca -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wyl h ALA 88 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wyl h ALA 88 CO 0.05 -0.02 -0.23 0.28 0.00 0.00 0.00 179.25 179.33 1wyl h VAL 89 N 0.77 0.00 0.55 0.00 2.07 -1.10 -1.52 116.25 117.02 1wyl h VAL 89 Ca 0.56 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.05 1wyl h VAL 89 Cb 0.82 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1wyl h VAL 89 CO -0.37 0.00 -0.26 0.58 0.02 0.00 0.00 177.57 177.54 1wyl h VAL 90 N -0.59 0.28 -1.00 2.57 2.07 -1.26 -3.13 116.25 115.19 1wyl h VAL 90 Ca -0.06 -0.40 0.36 0.00 0.82 0.00 0.00 66.70 67.43 1wyl h VAL 90 Cb 0.47 0.39 -0.18 0.00 -1.52 0.00 0.00 31.29 30.44 1wyl h VAL 90 CO 0.07 0.04 0.34 0.00 0.02 0.00 0.00 177.57 178.05 1wyl n ALA 91 N -2.61 0.83 -1.38 1.67 0.00 0.33 -4.76 120.51 114.59 1wyl n ALA 91 Ca -0.11 1.04 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1wyl n ALA 91 Cb 0.33 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1wyl n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wyl n GLY 92 N -1.35 0.97 0.13 0.00 0.00 -0.59 -5.00 105.19 99.35 1wyl n GLY 92 Ca 0.32 -0.51 -0.22 0.00 0.00 0.00 0.00 46.02 45.61 1wyl n GLY 92 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1wyl h SER 93 N 0.00 0.40 -4.19 1.61 0.87 -1.80 -3.42 113.55 107.02 1wyl h SER 93 Ca 0.00 -0.86 -0.69 0.00 -1.23 0.00 0.00 61.79 59.01 1wyl h SER 93 Cb 0.63 -0.13 -0.36 0.00 -0.44 0.00 0.00 62.40 62.10 1wyl h SER 93 CO 0.00 1.69 -0.40 -1.81 -0.53 0.00 0.00 176.83 175.79 1wyl s ASP 94 N -7.06 5.09 0.37 6.23 1.01 -1.25 -4.92 116.67 116.14 1wyl s ASP 94 Ca -0.21 -2.94 0.16 0.00 0.71 0.00 0.00 52.55 50.28 1wyl s ASP 94 Cb 0.05 -1.82 0.72 0.00 1.01 0.00 0.00 42.92 42.89 1wyl s ASP 94 CO 0.77 -0.33 1.78 1.55 0.21 0.00 0.00 175.17 179.15 1wyl h PRO 95 N 6.86 0.00 0.04 8.23 0.13 -1.88 -3.21 132.00 142.16 1wyl h PRO 95 Ca -0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.11 1wyl h PRO 95 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1wyl h PRO 95 CO 0.71 0.39 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.78 1wyl h LEU 96 N 0.00 -0.04 -0.63 1.56 4.07 -1.96 -3.24 115.31 115.07 1wyl h LEU 96 Ca -0.00 -0.52 0.13 0.00 0.08 0.00 0.00 57.88 57.57 1wyl h LEU 96 Cb 0.79 0.01 -0.11 0.00 1.08 0.00 0.00 40.66 42.43 1wyl h LEU 96 CO 0.05 0.51 -0.04 1.23 -1.08 0.00 0.00 178.44 179.11 1wyl h GLY 97 N -0.61 0.61 -0.04 0.83 0.00 -1.94 -1.56 103.07 100.36 1wyl h GLY 97 Ca -0.00 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.52 1wyl h GLY 97 CO 0.01 -0.22 -0.31 -2.00 0.00 0.00 0.00 176.54 174.02 1wyl h LEU 98 N 0.08 -1.00 -0.21 3.11 5.85 -1.62 0.24 115.31 121.76 1wyl h LEU 98 Ca 0.32 0.17 0.06 0.00 0.84 0.00 0.00 57.88 59.27 1wyl h LEU 98 Cb 0.52 0.46 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1wyl h LEU 98 CO -0.57 -0.32 -0.22 0.40 -0.34 0.00 0.00 178.44 177.39 1wyl h ILE 99 N -0.28 0.44 -0.73 4.05 2.04 -1.33 -0.86 117.51 120.83 1wyl h ILE 99 Ca 0.15 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1wyl h ILE 99 Cb 0.53 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1wyl h ILE 99 CO -0.47 0.00 0.48 0.00 0.00 0.00 0.00 178.15 178.16 1wyl h ALA 100 N 0.81 1.57 -0.17 1.87 0.00 -0.78 -2.19 119.26 120.37 1wyl h ALA 100 Ca 0.13 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wyl h ALA 100 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1wyl h ALA 100 CO -0.35 0.36 0.08 -0.92 0.00 0.00 0.00 179.25 178.41 1wyl h TYR 101 N 0.89 0.14 0.01 0.00 3.20 0.82 -2.95 116.97 119.09 1wyl h TYR 101 Ca 0.29 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.17 1wyl h TYR 101 Cb 0.05 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.28 1wyl h TYR 101 CO -0.00 0.08 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.52 1wyl h LEU 102 N 0.17 -0.02 -1.14 2.82 3.38 -0.87 -2.59 115.31 117.06 1wyl h LEU 102 Ca 0.07 -0.04 0.43 0.00 0.09 0.00 0.00 57.88 58.43 1wyl h LEU 102 Cb 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.61 1wyl h LEU 102 CO -0.05 0.03 0.66 0.77 0.09 0.00 0.00 178.44 179.94 1wyl h SER 103 N -0.06 0.30 -0.57 -0.43 4.64 -1.24 1.07 113.55 117.25 1wyl h SER 103 Ca -0.00 0.22 0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1wyl h SER 103 Cb 0.05 0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 1wyl h SER 103 CO 0.00 -0.34 0.37 0.45 -0.87 0.00 0.00 176.83 176.44 1wyl h HIS 104 N 0.04 0.69 -0.12 4.77 3.86 -1.37 0.45 115.15 123.46 1wyl h HIS 104 Ca 0.85 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 60.07 1wyl h HIS 104 Cb 2.39 -0.23 -0.01 0.00 1.06 0.00 0.00 27.41 30.62 1wyl h HIS 104 CO -0.01 0.42 0.07 0.74 0.86 0.00 0.00 177.93 180.01 1wyl h PHE 105 N 0.74 0.17 0.43 2.45 -1.00 0.11 -2.83 116.94 117.00 1wyl h PHE 105 Ca 0.22 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.98 1wyl h PHE 105 Cb -0.04 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 39.47 1wyl h PHE 105 CO -0.04 0.16 -0.20 1.25 -1.61 0.00 0.00 178.31 177.86 1wyl h HIS 106 N 0.12 -0.53 -1.14 -0.55 2.76 -1.19 0.31 115.15 114.93 1wyl h HIS 106 Ca 0.04 -0.01 0.38 0.00 -2.20 0.00 0.00 60.37 58.58 1wyl h HIS 106 Cb 0.05 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.09 1wyl h HIS 106 CO -0.05 -0.33 0.76 0.45 -1.30 0.00 0.00 177.93 177.46 1wyl n SER 107 N -4.35 0.12 -0.08 3.26 2.88 0.16 0.85 113.62 116.46 1wyl n SER 107 Ca -0.07 0.97 -0.22 0.00 -1.33 0.00 0.00 58.87 58.22 1wyl n SER 107 Cb 0.23 -0.48 -0.12 0.00 -0.75 0.00 0.00 64.21 63.09 1wyl n SER 107 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wyl n ALA 108 N -2.58 0.86 -1.35 -1.46 0.00 -1.07 -4.32 120.51 110.59 1wyl n ALA 108 Ca 0.31 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 1wyl n ALA 108 Cb 1.25 -0.52 0.04 0.00 0.00 0.00 0.00 19.45 20.22 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 -4.15 2.54 -4.83 0.00 3.01 0.25 -4.92 117.46 109.35 1wyl n PHE 109 Ca -0.34 -2.49 -0.33 0.00 1.01 0.00 0.00 57.45 55.30 1wyl n PHE 109 Cb 0.80 -1.27 -0.14 0.00 -0.01 0.00 0.00 39.48 38.86 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 -3.08 2.93 -0.61 -1.08 -2.85 0.22 -4.77 119.74 110.51 1wyl s LYS 110 Ca 0.53 -0.69 0.04 0.00 -1.00 0.00 0.00 55.97 54.86 1wyl s LYS 110 Cb 0.41 -2.50 0.15 0.00 -2.06 0.00 0.00 37.83 33.83 1wyl s LYS 110 CO -0.11 0.43 0.38 0.45 0.10 0.00 0.00 175.35 176.59 1wyl s SER 111 N -0.21 4.55 0.00 0.03 0.15 -1.26 -5.01 113.70 111.95 1wyl s SER 111 Ca 0.00 -3.43 0.00 0.00 0.70 0.00 0.00 55.95 53.22 1wyl s SER 111 Cb -0.13 -1.62 0.00 0.00 -1.71 0.00 0.00 66.02 62.55 1wyl s SER 111 CO 0.03 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.92 1wyl n GLY 112 N 2.54 1.73 3.12 9.45 0.00 -1.26 -5.11 105.19 115.66 1wyl n GLY 112 Ca 0.12 -1.98 -0.27 0.00 0.00 0.00 0.00 46.02 43.90 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 0.00 -2.91 0.00 1.61 -0.04 -1.26 -5.05 135.00 127.36 1wyl n PRO 113 Ca 0.00 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 1wyl n PRO 113 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1wyl n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyl n SER 114 N -4.66 0.12 0.11 3.54 2.88 -1.26 -4.83 113.62 109.51 1wyl n SER 114 Ca 0.14 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1wyl n SER 114 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 1wyl n SER 114 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1wyl h SER 115 N 0.00 -0.88 0.00 -3.46 0.02 -2.08 -3.57 113.55 103.57 1wyl h SER 115 Ca 0.00 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1wyl h SER 115 Cb 0.85 0.34 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1wyl h SER 115 CO 0.00 -0.39 0.00 0.61 -1.14 0.00 0.00 176.83 175.91