#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 6.24 -0.09 1.61 1.04 -1.26 -5.04 113.70 116.21 1wyl s SER 2 Ca 0.00 -2.33 -0.38 0.00 0.48 0.00 0.00 55.95 53.72 1wyl s SER 2 Cb 0.00 -2.13 -0.16 0.00 0.10 0.00 0.00 66.02 63.83 1wyl s SER 2 CO 0.00 -0.65 1.54 -0.24 0.98 0.00 0.00 173.24 174.88 1wyl n SER 3 N 4.43 2.05 -2.67 7.02 2.88 -1.26 -4.80 113.62 121.28 1wyl n SER 3 Ca 0.02 1.09 -0.25 0.00 -1.33 0.00 0.00 58.87 58.40 1wyl n SER 3 Cb 0.43 -1.17 -0.10 0.00 -0.75 0.00 0.00 64.21 62.62 1wyl n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wyl n GLY 4 N 3.36 3.57 3.28 0.46 0.00 -1.26 -4.78 105.19 109.82 1wyl n GLY 4 Ca 0.22 -1.32 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 1wyl n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wyl s SER 5 N 2.14 -0.47 0.12 1.61 0.01 -1.26 -5.17 113.70 110.68 1wyl s SER 5 Ca 0.67 0.85 -0.13 0.00 1.31 0.00 0.00 55.95 58.65 1wyl s SER 5 Cb 0.24 0.80 0.02 0.00 0.21 0.00 0.00 66.02 67.29 1wyl s SER 5 CO -0.03 -0.17 0.33 -0.55 0.41 0.00 0.00 173.24 173.23 1wyl s SER 6 N 0.81 -0.09 0.00 2.44 0.15 -1.26 -5.10 113.70 110.66 1wyl s SER 6 Ca -0.05 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.11 1wyl s SER 6 Cb -0.06 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.68 1wyl s SER 6 CO -0.06 -0.83 0.00 0.61 1.20 0.00 0.00 173.24 174.16 1wyl n GLY 7 N -0.18 0.54 2.94 9.45 0.00 -1.26 -5.17 105.19 111.51 1wyl n GLY 7 Ca -0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 0.18 0.41 2.61 2.01 -1.26 -5.01 115.64 114.58 1wyl s THR 8 Ca 0.00 -0.43 0.33 0.00 0.31 0.00 0.00 61.69 61.90 1wyl s THR 8 Cb 0.00 -0.22 0.50 0.00 0.01 0.00 0.00 72.50 72.79 1wyl s THR 8 CO 0.00 -0.16 1.31 0.00 -0.69 0.00 0.00 174.62 175.08 1wyl n GLN 9 N 2.45 -0.02 -0.31 4.92 3.00 -1.26 -0.44 117.38 125.73 1wyl n GLN 9 Ca -0.17 1.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.72 1wyl n GLN 9 Cb 0.58 -2.09 -0.07 0.00 0.00 0.00 0.00 30.24 28.66 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 0.00 -0.14 -1.23 -1.09 4.57 -1.98 0.76 114.58 115.48 1wyl h GLU 10 Ca 0.76 0.01 0.38 0.00 -1.18 0.00 0.00 59.36 59.33 1wyl h GLU 10 Cb 2.69 0.03 -0.12 0.00 -0.16 0.00 0.00 28.75 31.20 1wyl h GLU 10 CO -0.24 -0.09 0.79 1.05 -1.18 0.00 0.00 179.01 179.34 1wyl h GLU 11 N -0.14 0.17 0.01 1.92 4.11 -1.12 0.57 114.58 120.09 1wyl h GLU 11 Ca 0.16 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.58 1wyl h GLU 11 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1wyl h GLU 11 CO -0.82 0.11 -0.00 1.25 0.07 0.00 0.00 179.01 179.62 1wyl h LEU 12 N 0.18 -0.01 -0.02 3.06 5.85 0.23 -3.12 115.31 121.48 1wyl h LEU 12 Ca 0.75 -0.82 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1wyl h LEU 12 Cb 2.24 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 43.24 1wyl h LEU 12 CO -0.38 0.88 -0.32 0.25 -0.34 0.00 0.00 178.44 178.53 1wyl h LEU 13 N -0.97 -1.01 -0.60 2.25 5.85 0.15 0.48 115.31 121.46 1wyl h LEU 13 Ca -0.00 0.11 0.12 0.00 0.84 0.00 0.00 57.88 58.95 1wyl h LEU 13 Cb 0.82 0.38 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 1wyl h LEU 13 CO 0.00 -0.31 -0.23 0.03 -0.34 0.00 0.00 178.44 177.60 1wyl h ARG 14 N -0.39 -0.07 -0.68 1.25 3.08 -1.27 0.15 114.38 116.45 1wyl h ARG 14 Ca 0.01 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.18 1wyl h ARG 14 Cb 0.43 0.02 -0.08 0.00 0.08 0.00 0.00 29.97 30.41 1wyl h ARG 14 CO -0.23 -0.05 0.26 2.35 -1.07 0.00 0.00 179.97 181.23 1wyl h TRP 15 N -0.08 0.45 -0.26 3.04 7.01 -1.35 -1.70 115.95 123.06 1wyl h TRP 15 Ca 0.27 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.28 1wyl h TRP 15 Cb 0.50 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.46 1wyl h TRP 15 CO -0.56 0.08 0.06 0.00 -2.79 0.00 0.00 178.44 175.24 1wyl h GLN 17 N 0.24 0.29 -0.47 0.00 4.20 0.06 0.29 115.11 119.71 1wyl h GLN 17 Ca 0.08 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 1wyl h GLN 17 Cb 0.29 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 1wyl h GLN 17 CO 0.00 0.19 0.26 0.93 -0.67 0.00 0.00 178.83 179.54 1wyl h GLU 18 N 0.29 0.66 0.69 1.46 4.39 -1.27 0.28 114.58 121.09 1wyl h GLU 18 Ca 0.43 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 60.01 1wyl h GLU 18 Cb 0.72 -0.13 0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1wyl h GLU 18 CO -0.50 0.52 -0.33 1.96 -1.16 0.00 0.00 179.01 179.50 1wyl h GLN 19 N 0.63 -0.89 -0.17 2.33 1.08 -0.79 -3.06 115.11 114.24 1wyl h GLN 19 Ca 0.17 0.06 0.05 0.00 -1.45 0.00 0.00 58.65 57.48 1wyl h GLN 19 Cb 0.05 0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 1wyl h GLN 19 CO -0.03 -0.59 0.14 1.79 -0.95 0.00 0.00 178.83 179.19 1wyl h THR 20 N -1.16 0.70 -2.87 -0.54 1.35 -0.55 -3.44 112.91 106.41 1wyl h THR 20 Ca -0.09 0.00 -0.59 0.00 -0.55 0.00 0.00 66.41 65.18 1wyl h THR 20 Cb 0.71 0.89 0.15 0.00 -1.73 0.00 0.00 68.15 68.18 1wyl h THR 20 CO 0.16 0.00 -0.23 0.00 -0.25 0.00 0.00 175.52 175.20 1wyl n ALA 21 N -2.46 -0.84 0.00 6.62 0.00 0.99 -2.48 120.51 122.35 1wyl n ALA 21 Ca 0.01 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1wyl n ALA 21 Cb 0.27 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.61 2.66 3.65 0.00 0.00 -1.26 -5.00 105.19 106.85 1wyl n GLY 22 Ca 0.11 -0.64 -0.51 0.00 0.00 0.00 0.00 46.02 44.99 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 1.98 -2.08 1.61 4.19 -1.03 -4.85 117.16 116.97 1wyl n TYR 23 Ca 0.00 0.40 -0.42 0.00 3.31 0.00 0.00 57.90 61.19 1wyl n TYR 23 Cb 0.00 -2.47 -0.03 0.00 0.49 0.00 0.00 39.34 37.33 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 1.83 3.24 0.00 2.98 0.04 -1.26 -2.68 135.00 139.15 1wyl s PRO 24 Ca 0.87 1.15 0.00 0.00 0.04 0.00 0.00 61.00 63.06 1wyl s PRO 24 Cb -0.85 -4.20 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1wyl s PRO 24 CO 0.49 -1.98 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1wyl n GLY 25 N 5.41 1.68 2.83 0.56 0.00 -1.26 -5.09 105.19 109.32 1wyl n GLY 25 Ca 0.21 0.00 -0.29 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 1.00 -0.61 1.61 1.01 -1.09 -4.87 120.40 115.45 1wyl s VAL 26 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1wyl s VAL 26 Cb 0.00 -1.40 0.16 0.00 0.00 0.00 0.00 36.38 35.14 1wyl s VAL 26 CO 0.00 -0.16 0.40 -2.28 0.00 0.00 0.00 175.10 173.05 1wyl s HIS 27 N 1.64 3.20 -1.19 5.22 2.46 -1.26 -4.84 115.29 120.51 1wyl s HIS 27 Ca -0.03 -3.17 -0.18 0.00 0.47 0.00 0.00 55.06 52.15 1wyl s HIS 27 Cb -0.18 -2.58 0.10 0.00 -0.13 0.00 0.00 32.58 29.79 1wyl s HIS 27 CO -0.07 -0.64 1.55 0.08 -2.47 0.00 0.00 174.74 173.19 1wyl s VAL 28 N -0.90 4.37 -0.70 0.89 1.01 -1.26 -4.72 120.40 119.09 1wyl s VAL 28 Ca 0.22 -1.85 0.25 0.00 0.00 0.00 0.00 61.98 60.60 1wyl s VAL 28 Cb -0.12 -5.06 0.17 0.00 0.00 0.00 0.00 36.38 31.38 1wyl s VAL 28 CO -0.11 -1.86 1.56 -1.54 0.00 0.00 0.00 175.10 173.16 1wyl n SER 29 N 7.61 0.75 -2.85 3.32 3.41 -1.26 -4.76 113.62 119.85 1wyl n SER 29 Ca 0.40 0.36 -0.03 0.00 -0.26 0.00 0.00 58.87 59.34 1wyl n SER 29 Cb 0.46 -0.34 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 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 -2.18 -1.47 -1.41 4.04 5.68 -1.26 -5.04 116.55 114.90 1wyl n ASP 30 Ca 0.05 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.44 1wyl n ASP 30 Cb 0.43 2.40 0.17 0.00 -1.14 0.00 0.00 41.12 42.99 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 4.65 0.00 -2.12 4.77 -1.26 -4.27 117.00 118.76 1wyl n LEU 31 Ca -0.02 -3.91 0.00 0.00 -0.03 0.00 0.00 56.01 52.05 1wyl n LEU 31 Cb 0.48 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1wyl n LEU 31 CO 0.18 1.36 0.00 -1.20 -1.33 0.00 0.00 177.39 176.40 1wyl n SER 32 N -1.08 0.00 -2.06 -1.43 7.64 -1.26 -4.59 113.62 110.84 1wyl n SER 32 Ca 0.38 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 60.03 1wyl n SER 32 Cb 1.06 -0.08 0.02 0.00 -1.01 0.00 0.00 64.21 64.20 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 -2.00 4.86 0.00 6.43 7.64 -1.26 -4.60 113.62 124.69 1wyl n SER 33 Ca 0.00 -3.72 0.00 0.00 1.01 0.00 0.00 58.87 56.16 1wyl n SER 33 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1wyl n SER 33 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wyl n SER 34 N -0.70 2.35 -0.01 6.43 7.64 -1.26 -4.67 113.62 123.41 1wyl n SER 34 Ca 0.43 -0.23 0.09 0.00 1.01 0.00 0.00 58.87 60.17 1wyl n SER 34 Cb 0.95 0.94 -0.13 0.00 -1.01 0.00 0.00 64.21 64.96 1wyl n SER 34 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1wyl n TRP 35 N -1.17 0.00 -0.30 1.43 7.02 -1.26 -4.54 117.44 118.62 1wyl n TRP 35 Ca 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 57.50 56.50 1wyl n TRP 35 Cb 0.00 -0.33 0.09 0.00 -2.42 0.00 0.00 31.31 28.65 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 1.82 0.44 -1.12 6.99 0.00 -1.83 0.35 119.26 125.91 1wyl h ALA 36 Ca 0.00 0.30 0.39 0.00 0.00 0.00 0.00 54.91 55.60 1wyl h ALA 36 Cb 0.74 0.70 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 1wyl h ALA 36 CO 0.00 -0.46 0.72 -0.40 0.00 0.00 0.00 179.25 179.11 1wyl n ASP 37 N -5.53 0.17 0.00 0.00 5.68 -1.26 -4.04 116.55 111.58 1wyl n ASP 37 Ca 0.11 1.14 0.00 0.00 -0.50 0.00 0.00 54.79 55.54 1wyl n ASP 37 Cb 0.42 -0.56 0.00 0.00 -1.14 0.00 0.00 41.12 39.84 1wyl n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1wyl n GLY 38 N -1.42 3.09 0.24 6.12 0.00 0.12 -4.45 105.19 108.89 1wyl n GLY 38 Ca 0.33 -0.89 0.01 0.00 0.00 0.00 0.00 46.02 45.47 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 0.14 -0.31 0.99 3.38 -1.83 -2.86 115.31 114.82 1wyl h LEU 39 Ca 0.00 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.09 1wyl h LEU 39 Cb 0.00 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1wyl h LEU 39 CO 0.00 0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.43 1wyl n ALA 40 N -2.52 -0.20 -0.22 1.53 0.00 -1.26 0.15 120.51 117.99 1wyl n ALA 40 Ca 0.09 0.26 0.19 0.00 0.00 0.00 0.00 53.44 53.99 1wyl n ALA 40 Cb 0.31 0.22 0.52 0.00 0.00 0.00 0.00 19.45 20.50 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 0.38 -0.12 0.00 3.38 -1.78 -0.68 115.31 116.49 1wyl h LEU 41 Ca 0.05 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1wyl h LEU 41 Cb 0.13 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1wyl h LEU 41 CO -0.29 0.16 0.01 0.00 0.09 0.00 0.00 178.44 178.40 1wyl h ALA 43 N 0.76 1.18 -0.29 0.00 0.00 0.11 -0.47 119.26 120.55 1wyl h ALA 43 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wyl h ALA 43 Cb 0.34 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wyl h ALA 43 CO 0.00 0.52 0.13 1.25 0.00 0.00 0.00 179.25 181.16 1wyl h LEU 44 N 1.21 0.38 0.58 0.00 5.85 -1.22 -1.53 115.31 120.59 1wyl h LEU 44 Ca 0.35 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1wyl h LEU 44 Cb -0.09 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 40.85 1wyl h LEU 44 CO -0.09 0.41 -0.28 0.58 -0.34 0.00 0.00 178.44 178.72 1wyl h VAL 45 N 0.33 0.00 -0.78 1.05 2.07 -1.00 -0.75 116.25 117.17 1wyl h VAL 45 Ca 0.10 -0.13 0.17 0.00 0.82 0.00 0.00 66.70 67.65 1wyl h VAL 45 Cb 0.14 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.76 1wyl h VAL 45 CO -0.01 0.00 -0.11 1.88 0.02 0.00 0.00 177.57 179.35 1wyl h TYR 46 N -0.92 -0.26 0.71 1.57 0.05 -1.15 -1.96 116.97 115.02 1wyl h TYR 46 Ca -0.08 0.06 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1wyl h TYR 46 Cb 0.60 0.24 0.01 0.00 1.01 0.00 0.00 36.73 38.58 1wyl h TYR 46 CO 0.05 -0.31 -0.35 0.00 -1.05 0.00 0.00 178.16 176.51 1wyl h ARG 47 N 0.04 -0.93 -0.79 4.88 2.47 -1.27 -2.77 114.38 116.02 1wyl h ARG 47 Ca 0.40 0.06 0.32 0.00 -1.26 0.00 0.00 59.98 59.51 1wyl h ARG 47 Cb 0.67 0.21 -0.14 0.00 -1.65 0.00 0.00 29.97 29.06 1wyl h ARG 47 CO -0.76 -0.62 0.40 1.28 0.56 0.00 0.00 179.97 180.84 1wyl n LEU 48 N -4.60 0.26 -3.74 3.04 4.77 -0.29 -3.09 117.00 113.34 1wyl n LEU 48 Ca -0.12 1.31 -0.30 0.00 -0.03 0.00 0.00 56.01 56.87 1wyl n LEU 48 Cb 0.38 -0.63 -0.15 0.00 -2.33 0.00 0.00 43.42 40.69 1wyl n LEU 48 CO 0.29 -1.46 -0.33 -1.10 -1.33 0.00 0.00 177.39 173.46 1wyl s GLN 49 N -5.22 0.75 0.00 3.23 -0.21 -0.87 -4.97 119.66 112.37 1wyl s GLN 49 Ca -0.07 -1.12 0.15 0.00 0.02 0.00 0.00 55.36 54.34 1wyl s GLN 49 Cb 0.27 -2.04 0.79 0.00 1.00 0.00 0.00 33.01 33.03 1wyl s GLN 49 CO 0.61 -0.99 1.40 -0.35 -2.12 0.00 0.00 175.29 173.84 1wyl n PRO 50 N 4.80 0.27 0.08 2.91 -0.04 -1.17 -2.96 135.00 138.88 1wyl n PRO 50 Ca -0.01 0.12 -0.22 0.00 -0.04 0.00 0.00 63.50 63.34 1wyl n PRO 50 Cb 0.42 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.45 0.44 -2.02 0.55 0.00 -1.91 -3.47 103.07 99.11 1wyl h GLY 51 Ca 0.00 -1.12 -0.55 0.00 0.00 0.00 0.00 47.33 45.66 1wyl h GLY 51 CO 0.00 0.98 0.13 1.04 0.00 0.00 0.00 176.54 178.69 1wyl n LEU 52 N -3.91 3.58 -4.04 3.11 4.77 -1.15 -4.94 117.00 114.41 1wyl n LEU 52 Ca -0.18 0.63 -0.25 0.00 -0.03 0.00 0.00 56.01 56.19 1wyl n LEU 52 Cb 0.95 -1.42 0.10 0.00 -2.33 0.00 0.00 43.42 40.72 1wyl n LEU 52 CO 0.52 -2.02 -0.72 0.00 -1.33 0.00 0.00 177.39 173.83 1wyl n LEU 53 N -2.07 -2.16 -4.75 2.23 -0.00 -1.26 -5.00 117.00 103.99 1wyl n LEU 53 Ca 0.13 -0.16 -0.23 0.00 -0.00 0.00 0.00 56.01 55.74 1wyl n LEU 53 Cb 0.50 -0.70 -0.06 0.00 -0.00 0.00 0.00 43.42 43.16 1wyl n LEU 53 CO 0.49 -2.82 -0.24 -1.61 -0.00 0.00 0.00 177.39 173.21 1wyl s GLU 54 N -2.85 2.68 0.00 1.47 0.41 -1.26 -4.93 118.70 114.22 1wyl s GLU 54 Ca 0.36 -1.14 0.03 0.00 -0.41 0.00 0.00 54.97 53.81 1wyl s GLU 54 Cb -0.02 -2.43 0.15 0.00 -1.78 0.00 0.00 34.13 30.05 1wyl s GLU 54 CO 0.46 0.41 0.63 -0.35 -0.49 0.00 0.00 175.26 175.91 1wyl n PRO 55 N -0.86 0.49 -0.31 0.39 -0.04 -1.26 -4.16 135.00 129.25 1wyl n PRO 55 Ca -0.08 0.00 0.26 0.00 -0.04 0.00 0.00 63.50 63.64 1wyl n PRO 55 Cb 0.57 -1.08 0.43 0.00 -0.04 0.00 0.00 33.50 33.38 1wyl n PRO 55 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wyl n SER 56 N -0.58 0.13 0.01 3.54 2.88 -1.26 0.25 113.62 118.58 1wyl n SER 56 Ca 0.02 0.86 -0.22 0.00 -1.33 0.00 0.00 58.87 58.20 1wyl n SER 56 Cb 0.01 -0.42 -0.14 0.00 -0.75 0.00 0.00 64.21 62.91 1wyl n SER 56 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1wyl h GLU 57 N 0.00 0.25 -0.40 -1.46 5.08 -2.00 -3.33 114.58 112.72 1wyl h GLU 57 Ca 0.56 -0.43 0.12 0.00 -1.00 0.00 0.00 59.36 58.60 1wyl h GLU 57 Cb 1.82 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 31.21 1wyl h GLU 57 CO -0.28 1.20 0.42 -0.07 -1.00 0.00 0.00 179.01 179.29 1wyl h LEU 58 N -0.24 0.00 -0.93 1.33 4.07 0.29 -1.18 115.31 118.65 1wyl h LEU 58 Ca -0.33 0.00 0.22 0.00 0.08 0.00 0.00 57.88 57.85 1wyl h LEU 58 Cb 1.82 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 43.44 1wyl h LEU 58 CO 0.06 0.00 0.47 0.06 -1.08 0.00 0.00 178.44 177.95 1wyl h GLN 59 N 0.00 0.47 -1.65 1.13 3.07 -1.23 -1.66 115.11 115.24 1wyl h GLN 59 Ca 0.19 -0.03 -0.63 0.00 0.09 0.00 0.00 58.65 58.27 1wyl h GLN 59 Cb 1.03 -0.11 -0.38 0.00 0.08 0.00 0.00 27.48 28.10 1wyl h GLN 59 CO -0.00 0.31 -0.29 0.41 0.09 0.00 0.00 178.83 179.35 1wyl n GLY 60 N -1.33 5.89 3.47 0.06 0.00 -0.45 -5.03 105.19 107.81 1wyl n GLY 60 Ca 0.24 -2.70 -0.24 0.00 0.00 0.00 0.00 46.02 43.32 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 -3.67 2.60 0.55 0.99 1.43 -0.63 -5.10 118.68 114.85 1wyl s LEU 61 Ca 0.49 -1.05 -0.20 0.00 -1.03 0.00 0.00 54.13 52.35 1wyl s LEU 61 Cb 0.41 -1.06 -0.05 0.00 0.03 0.00 0.00 46.19 45.51 1wyl s LEU 61 CO -0.24 -0.00 1.15 -0.83 0.23 0.00 0.00 176.35 176.66 1wyl s GLY 62 N -3.51 2.67 0.56 -3.19 0.00 -1.26 -4.81 107.32 97.79 1wyl s GLY 62 Ca 0.30 0.88 0.45 0.00 0.00 0.00 0.00 44.72 46.34 1wyl s GLY 62 CO 0.15 1.25 1.61 0.00 0.00 0.00 0.00 173.10 176.10 1wyl h ALA 63 N 1.20 3.59 0.00 3.20 0.00 -1.96 -0.07 119.26 125.22 1wyl h ALA 63 Ca -0.50 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 1wyl h ALA 63 Cb 1.27 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1wyl h ALA 63 CO 0.57 -2.12 -0.48 1.25 0.00 0.00 0.00 179.25 178.47 1wyl h LEU 64 N 0.00 0.00 -1.34 0.00 5.85 -1.89 -3.34 115.31 114.59 1wyl h LEU 64 Ca 0.80 -0.21 0.44 0.00 0.84 0.00 0.00 57.88 59.75 1wyl h LEU 64 Cb 3.31 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 44.22 1wyl h LEU 64 CO -0.01 0.87 0.89 -0.62 -0.34 0.00 0.00 178.44 179.22 1wyl n GLU 65 N -4.62 -0.03 0.09 1.25 -0.58 -0.10 -0.72 120.64 115.94 1wyl n GLU 65 Ca -0.11 1.09 -0.04 0.00 -0.42 0.00 0.00 57.16 57.69 1wyl n GLU 65 Cb 0.31 -2.21 -0.02 0.00 -0.57 0.00 0.00 31.44 28.95 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 1.32 -0.84 -1.23 0.62 0.00 -1.54 -3.11 119.26 114.46 1wyl h ALA 66 Ca 0.80 -0.05 0.40 0.00 0.00 0.00 0.00 54.91 56.05 1wyl h ALA 66 Cb 2.70 0.09 -0.12 0.00 0.00 0.00 0.00 17.79 20.46 1wyl h ALA 66 CO -0.34 -0.83 0.79 1.15 0.00 0.00 0.00 179.25 180.03 1wyl h THR 67 N -0.29 0.20 -0.17 0.00 2.02 -1.04 0.15 112.91 113.79 1wyl h THR 67 Ca -0.02 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.16 1wyl h THR 67 Cb 0.18 0.04 -0.06 0.00 -1.74 0.00 0.00 68.15 66.57 1wyl h THR 67 CO 0.04 0.03 -0.26 0.00 0.37 0.00 0.00 175.52 175.70 1wyl h ALA 68 N 1.63 -0.22 0.54 6.16 0.00 -1.32 -1.88 119.26 124.17 1wyl h ALA 68 Ca 0.77 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.71 1wyl h ALA 68 Cb 2.30 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.59 1wyl h ALA 68 CO -0.42 -0.71 -0.43 2.35 0.00 0.00 0.00 179.25 180.04 1wyl h TRP 69 N -0.31 -1.17 -0.94 0.00 7.01 -0.67 -2.19 115.95 117.68 1wyl h TRP 69 Ca 0.11 0.00 0.08 0.00 2.11 0.00 0.00 58.89 61.20 1wyl h TRP 69 Cb 0.48 0.44 -0.11 0.00 -2.10 0.00 0.00 29.16 27.87 1wyl h TRP 69 CO -0.38 -0.60 -0.55 0.00 -2.79 0.00 0.00 178.44 174.12 1wyl n ALA 70 N -2.69 -0.60 -0.07 2.65 0.00 -1.12 0.20 120.51 118.87 1wyl n ALA 70 Ca -0.11 0.80 0.24 0.00 0.00 0.00 0.00 53.44 54.36 1wyl n ALA 70 Cb 0.41 -0.12 0.71 0.00 0.00 0.00 0.00 19.45 20.44 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 0.01 0.00 3.38 -1.25 0.18 115.31 117.63 1wyl h LEU 71 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1wyl h LEU 71 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1wyl h LEU 71 CO -0.88 0.00 -0.00 0.50 0.09 0.00 0.00 178.44 178.15 1wyl h LYS 72 N 0.00 -0.01 -0.16 1.13 3.64 0.29 -2.12 116.57 119.34 1wyl h LYS 72 Ca 0.32 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 1wyl h LYS 72 Cb 1.32 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1wyl h LYS 72 CO -0.00 -0.01 0.49 0.28 -2.27 0.00 0.00 179.45 177.95 1wyl h VAL 73 N -0.04 0.09 0.22 2.00 2.07 -0.49 0.35 116.25 120.45 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 0.54 0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1wyl h VAL 73 CO 0.00 0.00 -1.56 0.00 0.02 0.00 0.00 177.57 176.03 1wyl h ALA 74 N 1.16 -0.01 0.00 1.67 0.00 -0.73 -1.95 119.26 119.40 1wyl h ALA 74 Ca 0.08 -0.98 -0.03 0.00 0.00 0.00 0.00 54.91 53.97 1wyl h ALA 74 Cb 1.06 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 19.16 1wyl h ALA 74 CO -0.00 0.82 -0.15 1.49 0.00 0.00 0.00 179.25 181.41 1wyl h GLU 75 N 0.08 0.00 0.00 0.00 4.22 0.21 2.07 114.58 121.16 1wyl h GLU 75 Ca -0.29 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.15 1wyl h GLU 75 Cb 2.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1wyl h GLU 75 CO 0.22 0.15 -0.24 -0.91 -2.18 0.00 0.00 179.01 176.05 1wyl h ASN 76 N 0.00 0.00 0.00 1.04 2.35 -0.60 -3.31 115.58 115.05 1wyl h ASN 76 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wyl h ASN 76 Cb 1.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.46 1wyl h ASN 76 CO 0.02 0.40 0.00 -0.62 -1.65 0.00 0.00 177.43 175.58 1wyl n GLU 77 N -3.59 0.00 0.22 0.81 -0.58 -0.74 -3.94 120.64 112.82 1wyl n GLU 77 Ca -0.03 0.39 0.18 0.00 -0.42 0.00 0.00 57.16 57.28 1wyl n GLU 77 Cb 0.12 -0.97 0.85 0.00 -0.57 0.00 0.00 31.44 30.88 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 0.39 -4.62 3.38 -1.40 -3.45 115.31 109.60 1wyl h LEU 78 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1wyl h LEU 78 Cb 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 1wyl h LEU 78 CO 0.00 0.00 -0.15 0.61 0.09 0.00 0.00 178.44 178.99 1wyl n GLY 79 N -1.35 0.91 3.57 0.83 0.00 0.64 -4.90 105.19 104.89 1wyl n GLY 79 Ca 0.01 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.02 3.84 0.00 -0.61 -1.09 0.22 -4.82 121.20 116.72 1wyl s ILE 80 Ca 0.00 -1.06 -0.33 0.00 -2.23 0.00 0.00 60.65 57.02 1wyl s ILE 80 Cb 0.00 -4.85 -0.17 0.00 -1.58 0.00 0.00 42.46 35.87 1wyl s ILE 80 CO 0.00 -1.66 0.89 0.41 -1.23 0.00 0.00 174.94 173.35 1wyl n THR 81 N 7.05 0.01 -2.04 2.92 -1.04 -1.26 -4.08 114.28 115.84 1wyl n THR 81 Ca 0.41 -0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 62.04 1wyl n THR 81 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 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 -0.01 2.62 0.28 -2.82 0.04 -1.26 -4.82 135.00 129.03 1wyl s PRO 82 Ca 0.76 0.56 0.13 0.00 0.04 0.00 0.00 61.00 62.49 1wyl s PRO 82 Cb -1.06 -4.42 0.30 0.00 0.04 0.00 0.00 34.50 29.37 1wyl s PRO 82 CO 0.47 -2.77 1.56 -0.24 0.04 0.00 0.00 177.00 176.07 1wyl h VAL 83 N 6.91 1.23 -3.66 -0.36 3.04 -1.94 -3.45 116.25 118.02 1wyl h VAL 83 Ca -0.24 -2.21 -0.65 0.00 -1.01 0.00 0.00 66.70 62.59 1wyl h VAL 83 Cb 1.15 2.26 -0.21 0.00 -2.01 0.00 0.00 31.29 32.49 1wyl h VAL 83 CO 1.22 0.59 -0.84 -0.69 -1.01 0.00 0.00 177.57 176.83 1wyl s VAL 84 N -3.33 2.17 0.37 1.51 1.01 -1.26 -5.02 120.40 115.85 1wyl s VAL 84 Ca 0.00 -1.82 -0.21 0.00 0.00 0.00 0.00 61.98 59.95 1wyl s VAL 84 Cb 0.11 -1.96 -0.10 0.00 0.00 0.00 0.00 36.38 34.43 1wyl s VAL 84 CO 0.75 -0.02 0.90 -0.55 0.00 0.00 0.00 175.10 176.17 1wyl s SER 85 N -2.26 7.04 0.43 3.32 0.15 -1.26 -4.94 113.70 116.19 1wyl s SER 85 Ca 0.15 1.65 0.13 0.00 0.70 0.00 0.00 55.95 58.58 1wyl s SER 85 Cb -0.09 -2.52 1.01 0.00 -1.71 0.00 0.00 66.02 62.71 1wyl s SER 85 CO 0.07 -0.22 2.00 0.00 1.20 0.00 0.00 173.24 176.29 1wyl h ALA 86 N 2.45 1.97 0.00 5.45 0.00 -1.98 0.20 119.26 127.36 1wyl h ALA 86 Ca -0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 1wyl h ALA 86 Cb 1.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1wyl h ALA 86 CO 0.63 -0.08 -0.53 0.37 0.00 0.00 0.00 179.25 179.64 1wyl h GLN 87 N 0.42 0.00 -0.08 0.00 4.15 -1.96 -3.03 115.11 114.61 1wyl h GLN 87 Ca 0.24 0.00 -0.14 0.00 0.77 0.00 0.00 58.65 59.53 1wyl h GLN 87 Cb 0.42 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.12 1wyl h GLN 87 CO -0.06 0.53 -0.49 0.00 -1.93 0.00 0.00 178.83 176.88 1wyl h ALA 88 N 1.47 0.16 0.77 3.38 0.00 -1.37 -1.20 119.26 122.47 1wyl h ALA 88 Ca -0.01 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1wyl h ALA 88 Cb 1.20 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1wyl h ALA 88 CO 0.07 0.34 -0.37 0.28 0.00 0.00 0.00 179.25 179.57 1wyl h VAL 89 N 0.02 0.23 -0.08 0.00 2.07 -1.36 0.28 116.25 117.41 1wyl h VAL 89 Ca -0.04 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1wyl h VAL 89 Cb 1.15 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1wyl h VAL 89 CO 0.10 0.00 0.05 0.58 0.02 0.00 0.00 177.57 178.32 1wyl h VAL 90 N -1.06 1.07 0.00 2.57 2.07 -1.65 -1.51 116.25 117.74 1wyl h VAL 90 Ca -0.11 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1wyl h VAL 90 Cb 0.80 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1wyl h VAL 90 CO 0.17 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.83 1wyl n ALA 91 N -2.15 2.25 -1.06 1.67 0.00 -0.45 -4.76 120.51 116.00 1wyl n ALA 91 Ca -0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 53.44 53.21 1wyl n ALA 91 Cb 0.06 -1.27 -0.03 0.00 0.00 0.00 0.00 19.45 18.21 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 0.27 0.68 0.31 0.00 0.00 0.82 -4.74 105.19 102.53 1wyl n GLY 92 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.29 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 0.00 -2.96 1.61 4.64 -1.33 -3.29 113.55 112.22 1wyl h SER 93 Ca -0.15 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.58 1wyl h SER 93 Cb 0.59 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.29 1wyl h SER 93 CO 0.21 0.00 -0.80 -1.81 -0.87 0.00 0.00 176.83 173.56 1wyl s ASP 94 N -6.41 3.08 0.48 4.97 1.01 -1.22 -4.96 116.67 113.62 1wyl s ASP 94 Ca -0.05 -2.73 0.26 0.00 0.71 0.00 0.00 52.55 50.75 1wyl s ASP 94 Cb 0.17 -0.79 1.12 0.00 1.01 0.00 0.00 42.92 44.43 1wyl s ASP 94 CO 0.64 -0.24 1.91 1.55 0.21 0.00 0.00 175.17 179.24 1wyl h PRO 95 N 6.43 0.00 0.11 8.23 0.13 -1.88 -3.11 132.00 141.92 1wyl h PRO 95 Ca 0.09 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.06 1wyl h PRO 95 Cb 0.92 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.07 1wyl h PRO 95 CO 0.42 0.17 -0.67 -0.07 -0.23 0.00 0.00 178.00 177.62 1wyl h LEU 96 N 0.00 0.39 -0.34 1.56 4.07 -1.93 -3.30 115.31 115.76 1wyl h LEU 96 Ca -0.00 -0.96 0.06 0.00 0.08 0.00 0.00 57.88 57.06 1wyl h LEU 96 Cb 0.62 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 1wyl h LEU 96 CO 0.02 1.32 -0.00 1.23 -1.08 0.00 0.00 178.44 179.93 1wyl h GLY 97 N -0.47 0.33 0.02 0.83 0.00 -1.95 -2.40 103.07 99.43 1wyl h GLY 97 Ca -0.12 0.04 0.08 0.00 0.00 0.00 0.00 47.33 47.34 1wyl h GLY 97 CO 0.13 -0.08 -0.19 -2.00 0.00 0.00 0.00 176.54 174.39 1wyl h LEU 98 N 0.09 -0.66 -0.06 3.11 5.85 -1.68 0.25 115.31 122.22 1wyl h LEU 98 Ca 0.17 0.15 0.04 0.00 0.84 0.00 0.00 57.88 59.08 1wyl h LEU 98 Cb 0.23 0.36 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1wyl h LEU 98 CO -0.28 -0.23 -0.29 0.40 -0.34 0.00 0.00 178.44 177.71 1wyl h ILE 99 N -0.12 0.35 0.00 4.05 2.04 -1.53 -0.09 117.51 122.21 1wyl h ILE 99 Ca 0.20 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 1wyl h ILE 99 Cb 0.42 0.35 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1wyl h ILE 99 CO -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 177.62 1wyl h ALA 100 N 0.42 1.70 0.09 1.87 0.00 -0.91 -2.23 119.26 120.21 1wyl h ALA 100 Ca 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wyl h ALA 100 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1wyl h ALA 100 CO -0.28 0.07 -0.04 -0.92 0.00 0.00 0.00 179.25 178.07 1wyl h TYR 101 N 0.00 -0.11 -0.86 0.00 3.20 0.12 -3.18 116.97 116.14 1wyl h TYR 101 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1wyl h TYR 101 Cb 0.11 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.37 1wyl h TYR 101 CO 0.00 0.27 0.54 -0.07 -1.64 0.00 0.00 178.16 177.27 1wyl h LEU 102 N -0.53 1.01 -1.05 2.82 3.38 -0.86 -2.32 115.31 117.76 1wyl h LEU 102 Ca -0.01 -0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.18 1wyl h LEU 102 Cb 0.44 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 40.81 1wyl h LEU 102 CO 0.02 0.76 0.60 -1.28 0.09 0.00 0.00 178.44 178.63 1wyl h SER 103 N 1.18 0.61 -0.67 -0.43 0.87 -1.39 0.56 113.55 114.27 1wyl h SER 103 Ca 0.31 0.14 0.05 0.00 -1.23 0.00 0.00 61.79 61.07 1wyl h SER 103 Cb -0.09 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1wyl h SER 103 CO -0.06 0.04 0.45 0.45 -0.53 0.00 0.00 176.83 177.18 1wyl h HIS 104 N 0.49 0.72 0.33 2.24 3.86 -1.45 0.16 115.15 121.50 1wyl h HIS 104 Ca 0.66 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.88 1wyl h HIS 104 Cb 1.39 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.62 1wyl h HIS 104 CO -0.01 0.39 -0.16 0.74 0.86 0.00 0.00 177.93 179.76 1wyl h PHE 105 N 0.72 -0.41 0.87 2.45 -1.00 0.02 -2.83 116.94 116.76 1wyl h PHE 105 Ca 0.29 -0.01 -0.04 0.00 2.81 0.00 0.00 57.97 61.01 1wyl h PHE 105 Cb 0.21 0.14 0.01 0.00 3.61 0.00 0.00 35.95 39.91 1wyl h PHE 105 CO -0.00 -0.08 -0.42 1.25 -1.61 0.00 0.00 178.31 177.45 1wyl h HIS 106 N -0.77 -1.09 -0.51 -0.55 2.76 -1.22 0.74 115.15 114.51 1wyl h HIS 106 Ca -0.05 -0.03 0.15 0.00 -2.20 0.00 0.00 60.37 58.25 1wyl h HIS 106 Cb 0.51 0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 1wyl h HIS 106 CO 0.02 -0.68 0.90 1.03 -1.30 0.00 0.00 177.93 177.90 1wyl h SER 107 N -1.28 0.00 0.00 3.26 0.87 -0.81 1.28 113.55 116.87 1wyl h SER 107 Ca -0.12 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.13 1wyl h SER 107 Cb 0.90 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.80 1wyl h SER 107 CO 0.20 0.00 -2.26 0.00 -0.53 0.00 0.00 176.83 174.23 1wyl n ALA 108 N -2.02 1.66 -2.03 6.23 0.00 -0.94 -4.50 120.51 118.91 1wyl n ALA 108 Ca 0.11 -1.17 -0.27 0.00 0.00 0.00 0.00 53.44 52.10 1wyl n ALA 108 Cb 1.07 -0.21 0.02 0.00 0.00 0.00 0.00 19.45 20.33 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 -2.65 3.00 -3.16 0.00 3.01 0.39 -4.85 117.46 113.20 1wyl n PHE 109 Ca -0.28 -2.57 -0.33 0.00 1.01 0.00 0.00 57.45 55.28 1wyl n PHE 109 Cb 1.06 -0.49 -0.04 0.00 -0.01 0.00 0.00 39.48 40.00 1wyl n PHE 109 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 1wyl n LYS 110 N -0.67 3.48 -0.04 -1.08 2.85 0.17 -4.79 118.16 118.09 1wyl n LYS 110 Ca 0.46 -4.67 -0.04 0.00 -1.05 0.00 0.00 58.31 53.01 1wyl n LYS 110 Cb 0.80 -2.35 -0.01 0.00 -0.65 0.00 0.00 35.03 32.82 1wyl n LYS 110 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1wyl n SER 111 N 0.75 0.95 -4.47 -5.58 7.64 -1.26 -5.03 113.62 106.61 1wyl n SER 111 Ca 0.30 0.16 -0.28 0.00 1.01 0.00 0.00 58.87 60.06 1wyl n SER 111 Cb 0.37 -0.55 0.26 0.00 -1.01 0.00 0.00 64.21 63.28 1wyl n SER 111 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wyl s GLY 112 N -3.92 1.54 -0.79 0.23 0.00 -1.26 -4.84 107.32 98.28 1wyl s GLY 112 Ca -0.13 -0.15 -0.25 0.00 0.00 0.00 0.00 44.72 44.19 1wyl s GLY 112 CO 0.19 0.59 1.91 2.56 0.00 0.00 0.00 173.10 178.36 1wyl s PRO 113 N -4.43 2.58 -0.41 2.90 0.04 -1.26 -4.80 135.00 129.61 1wyl s PRO 113 Ca 0.69 0.07 0.05 0.00 0.04 0.00 0.00 61.00 61.85 1wyl s PRO 113 Cb -0.25 -4.79 0.44 0.00 0.04 0.00 0.00 34.50 29.94 1wyl s PRO 113 CO 0.65 -3.12 1.32 -1.13 0.04 0.00 0.00 177.00 174.76 1wyl n SER 114 N 13.50 5.36 -3.98 6.66 3.41 -1.26 -4.92 113.62 132.40 1wyl n SER 114 Ca 0.32 -3.75 -0.32 0.00 -0.26 0.00 0.00 58.87 54.87 1wyl n SER 114 Cb 0.49 -0.49 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 1wyl n SER 114 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wyl s SER 115 N -3.22 4.60 0.00 4.04 0.01 -1.26 -4.62 113.70 113.26 1wyl s SER 115 Ca 0.52 -3.07 0.00 0.00 1.31 0.00 0.00 55.95 54.71 1wyl s SER 115 Cb 0.42 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.95 1wyl s SER 115 CO -0.06 -0.25 0.00 0.61 0.41 0.00 0.00 173.24 173.95