#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wou s GLU 5 N 0.00 3.17 0.01 -3.48 -1.05 -1.10 -5.01 118.70 111.24 1wou s GLU 5 Ca 0.00 -0.67 -0.01 0.00 -0.15 0.00 0.00 54.97 54.14 1wou s GLU 5 Cb 0.00 -2.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.06 1wou s GLU 5 CO 0.00 0.34 0.15 -2.00 0.95 0.00 0.00 175.26 174.70 1wou s GLU 6 N 0.04 3.30 -0.04 -4.83 2.12 -1.26 -1.61 118.70 116.42 1wou s GLU 6 Ca -0.04 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.89 1wou s GLU 6 Cb -0.14 -3.00 0.02 0.00 0.26 0.00 0.00 34.13 31.27 1wou s GLU 6 CO 0.04 0.65 -0.03 0.08 -0.54 0.00 0.00 175.26 175.46 1wou s VAL 7 N -1.32 0.43 -0.19 3.70 1.01 0.08 -4.95 120.40 119.15 1wou s VAL 7 Ca 0.27 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.14 1wou s VAL 7 Cb -0.12 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 1wou s VAL 7 CO 0.19 0.20 -0.04 -0.55 0.00 0.00 0.00 175.10 174.90 1wou s SER 8 N 0.87 4.51 0.17 3.32 0.15 -1.26 -0.13 113.70 121.32 1wou s SER 8 Ca -0.11 -0.29 0.03 0.00 0.70 0.00 0.00 55.95 56.29 1wou s SER 8 Cb -0.14 -1.76 -0.05 0.00 -1.71 0.00 0.00 66.02 62.37 1wou s SER 8 CO -0.00 0.05 -0.05 0.68 1.20 0.00 0.00 173.24 175.13 1wou s VAL 9 N 1.05 0.95 -0.08 4.45 -7.23 0.19 -4.97 120.40 114.76 1wou s VAL 9 Ca 0.01 -2.02 -0.01 0.00 -1.81 0.00 0.00 61.98 58.15 1wou s VAL 9 Cb -0.15 -2.03 0.03 0.00 0.56 0.00 0.00 36.38 34.80 1wou s VAL 9 CO 0.00 -0.58 0.00 -0.55 -0.31 0.00 0.00 175.10 173.66 1wou s SER 10 N -3.19 1.68 0.00 4.85 0.15 -1.26 -1.31 113.70 114.62 1wou s SER 10 Ca 0.21 -0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.73 1wou s SER 10 Cb 0.05 -0.46 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1wou s SER 10 CO 0.03 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1wou n GLY 11 N 5.14 0.94 0.27 9.45 0.00 -0.33 -4.38 105.19 116.28 1wou n GLY 11 Ca -0.07 -1.79 -0.08 0.00 0.00 0.00 0.00 46.02 44.07 1wou n GLY 11 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1wou h PHE 12 N 0.00 0.94 -0.07 1.61 3.57 -1.88 -2.71 116.94 118.40 1wou h PHE 12 Ca 0.00 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.30 1wou h PHE 12 Cb 0.00 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1wou h PHE 12 CO 0.00 0.96 0.01 1.49 -2.23 0.00 0.00 178.31 178.54 1wou h GLU 13 N 0.72 0.04 -0.69 1.11 4.57 -2.00 -0.54 114.58 117.79 1wou h GLU 13 Ca 0.10 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.22 1wou h GLU 13 Cb 0.73 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 1wou h GLU 13 CO 0.06 0.03 0.21 0.93 -1.18 0.00 0.00 179.01 179.06 1wou h GLU 14 N 0.04 1.06 0.32 1.92 5.08 -1.76 -2.20 114.58 119.04 1wou h GLU 14 Ca 0.03 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1wou h GLU 14 Cb 0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1wou h GLU 14 CO -0.05 0.90 -0.15 0.35 -1.00 0.00 0.00 179.01 179.07 1wou h PHE 15 N 1.02 -0.40 -0.96 4.33 3.57 -1.13 -0.83 116.94 122.54 1wou h PHE 15 Ca 0.22 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.82 1wou h PHE 15 Cb 0.29 0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1wou h PHE 15 CO 0.02 -0.23 0.61 1.25 -2.23 0.00 0.00 178.31 177.74 1wou h HIS 16 N -0.46 1.07 -0.41 0.41 2.76 -1.02 -1.11 115.15 116.39 1wou h HIS 16 Ca -0.04 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.11 1wou h HIS 16 Cb 0.35 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 1wou h HIS 16 CO -0.05 0.46 0.07 -0.09 -1.30 0.00 0.00 177.93 177.02 1wou h ARG 17 N 0.97 0.68 -0.79 5.26 2.43 -1.09 -2.39 114.38 119.45 1wou h ARG 17 Ca 0.46 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.42 1wou h ARG 17 Cb 0.44 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.87 1wou h ARG 17 CO -0.22 0.72 0.40 0.00 -1.51 0.00 0.00 179.97 179.36 1wou h ALA 18 N 0.93 1.01 -0.12 2.80 0.00 0.02 -2.61 119.26 121.29 1wou h ALA 18 Ca 0.12 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1wou h ALA 18 Cb 0.37 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wou h ALA 18 CO 0.01 0.56 -0.48 -0.39 0.00 0.00 0.00 179.25 178.95 1wou h VAL 19 N 1.11 1.33 -0.32 0.00 -1.51 -1.18 -2.98 116.25 112.71 1wou h VAL 19 Ca 0.27 -1.70 -0.08 0.00 -1.23 0.00 0.00 66.70 63.97 1wou h VAL 19 Cb 0.09 1.77 -0.02 0.00 -2.13 0.00 0.00 31.29 31.01 1wou h VAL 19 CO -0.04 0.51 -0.13 -0.33 -1.23 0.00 0.00 177.57 176.36 1wou h GLU 20 N 0.25 0.54 0.00 5.19 4.39 -1.17 -0.71 114.58 123.08 1wou h GLU 20 Ca 0.01 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1wou h GLU 20 Cb 0.94 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 1wou h GLU 20 CO 0.08 0.66 0.00 1.04 -1.16 0.00 0.00 179.01 179.63 1wou n GLN 21 N -4.19 0.05 -0.27 2.33 6.02 -1.01 -3.11 117.38 117.20 1wou n GLN 21 Ca 0.01 0.08 0.06 0.00 -0.01 0.00 0.00 57.00 57.14 1wou n GLN 21 Cb 0.33 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.18 1wou n GLN 21 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1wou n HIS 22 N -1.47 0.00 -0.65 1.08 8.25 -0.87 -4.88 115.22 116.67 1wou n HIS 22 Ca 0.07 -0.65 0.51 0.00 -0.26 0.00 0.00 57.72 57.38 1wou n HIS 22 Cb 0.27 -0.12 0.78 0.00 1.12 0.00 0.00 29.99 32.04 1wou n HIS 22 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 1wou h ASN 23 N 0.06 0.00 -0.69 0.41 -0.73 -1.08 0.41 115.58 113.96 1wou h ASN 23 Ca -0.01 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.84 1wou h ASN 23 Cb 1.16 0.00 -0.19 0.00 0.27 0.00 0.00 38.32 39.56 1wou h ASN 23 CO 0.00 0.00 0.30 0.61 -0.37 0.00 0.00 177.43 177.97 1wou n GLY 24 N -1.90 4.48 3.18 1.57 0.00 -1.26 -4.97 105.19 106.28 1wou n GLY 24 Ca 0.42 -1.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 1wou n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wou s LYS 25 N -3.21 0.84 0.01 1.61 1.02 0.13 -5.10 119.74 115.04 1wou s LYS 25 Ca 0.51 -1.09 -0.30 0.00 0.02 0.00 0.00 55.97 55.11 1wou s LYS 25 Cb 0.44 -0.64 -0.06 0.00 -0.52 0.00 0.00 37.83 37.04 1wou s LYS 25 CO 0.07 0.12 1.50 0.99 -0.92 0.00 0.00 175.35 177.11 1wou s THR 26 N -2.02 3.51 -0.10 2.17 2.01 -1.26 -4.90 115.64 115.05 1wou s THR 26 Ca 0.03 0.88 0.02 0.00 0.31 0.00 0.00 61.69 62.93 1wou s THR 26 Cb -0.06 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.87 1wou s THR 26 CO 0.01 -0.01 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.13 1wou s ILE 27 N 2.65 2.76 -0.11 1.82 1.01 -1.26 -0.55 121.20 127.51 1wou s ILE 27 Ca 0.68 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.56 1wou s ILE 27 Cb -0.34 -2.11 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1wou s ILE 27 CO 0.28 0.55 -0.19 -0.36 0.00 0.00 0.00 174.94 175.22 1wou s PHE 28 N 0.11 2.68 -0.03 3.97 0.40 0.29 -0.67 117.98 124.72 1wou s PHE 28 Ca -0.08 -0.83 0.06 0.00 -0.60 0.00 0.00 56.93 55.48 1wou s PHE 28 Cb -0.15 -1.77 -0.01 0.00 0.51 0.00 0.00 43.02 41.60 1wou s PHE 28 CO 0.05 -0.30 -0.20 0.00 0.70 0.00 0.00 175.22 175.47 1wou s ALA 29 N 0.32 1.72 -0.21 5.36 0.00 0.88 -0.38 121.76 129.45 1wou s ALA 29 Ca -0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 1wou s ALA 29 Cb -0.17 -0.50 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 1wou s ALA 29 CO 0.07 0.37 -0.07 -0.47 0.00 0.00 0.00 175.76 175.65 1wou s TYR 30 N -0.23 2.93 -0.24 0.00 5.04 -0.01 -0.40 117.35 124.44 1wou s TYR 30 Ca 0.01 -1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 53.47 1wou s TYR 30 Cb -0.10 -2.07 -0.04 0.00 0.35 0.00 0.00 41.96 40.09 1wou s TYR 30 CO 0.01 -0.60 0.13 -0.06 -1.34 0.00 0.00 175.55 173.69 1wou s PHE 31 N 1.44 3.23 0.14 4.97 0.08 0.40 -0.57 117.98 127.66 1wou s PHE 31 Ca 0.06 0.04 -0.03 0.00 0.12 0.00 0.00 56.93 57.11 1wou s PHE 31 Cb -0.14 -2.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.04 1wou s PHE 31 CO -0.05 -0.05 0.11 -0.08 -0.10 0.00 0.00 175.22 175.06 1wou s THR 32 N 1.16 0.10 0.46 0.64 -1.32 -0.43 -2.25 115.64 114.00 1wou s THR 32 Ca 0.06 -1.76 -0.21 0.00 -1.21 0.00 0.00 61.69 58.57 1wou s THR 32 Cb -0.14 -1.96 -0.09 0.00 -1.51 0.00 0.00 72.50 68.80 1wou s THR 32 CO 0.05 -0.44 1.03 -0.83 -2.21 0.00 0.00 174.62 172.21 1wou s GLY 33 N -3.02 2.54 0.58 6.08 0.00 -1.26 -0.73 107.32 111.50 1wou s GLY 33 Ca 0.21 0.60 -0.15 0.00 0.00 0.00 0.00 44.72 45.38 1wou s GLY 33 CO 0.01 0.93 1.03 -0.56 0.00 0.00 0.00 173.10 174.51 1wou s SER 34 N -1.93 6.05 -0.10 1.64 0.01 -0.84 -4.78 113.70 113.75 1wou s SER 34 Ca 0.65 1.70 -0.04 0.00 1.31 0.00 0.00 55.95 59.57 1wou s SER 34 Cb -0.16 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 1wou s SER 34 CO 0.20 -0.98 0.04 -0.54 0.41 0.00 0.00 173.24 172.37 1wou s LYS 35 N -4.20 3.15 0.64 12.44 1.02 -1.26 -4.17 119.74 127.37 1wou s LYS 35 Ca 0.61 -0.32 -0.11 0.00 0.02 0.00 0.00 55.97 56.17 1wou s LYS 35 Cb -0.14 -2.92 0.16 0.00 -0.52 0.00 0.00 37.83 34.40 1wou s LYS 35 CO 0.37 0.71 0.69 -0.40 -0.92 0.00 0.00 175.35 175.80 1wou n ASP 36 N 2.15 -0.89 -0.07 2.83 5.68 -0.55 -4.79 116.55 120.91 1wou n ASP 36 Ca -0.19 -1.06 0.06 0.00 -0.50 0.00 0.00 54.79 53.11 1wou n ASP 36 Cb 0.54 -0.58 0.42 0.00 -1.14 0.00 0.00 41.12 40.36 1wou n ASP 36 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1wou h ALA 37 N -2.19 1.77 0.00 2.12 0.00 -1.99 -0.11 119.26 118.86 1wou h ALA 37 Ca -0.24 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1wou h ALA 37 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wou h ALA 37 CO 0.16 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1wou n GLY 38 N -1.48 -1.37 0.70 0.00 0.00 -1.26 -4.89 105.19 96.90 1wou n GLY 38 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1wou n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wou n GLY 39 N 0.84 0.81 3.76 -0.02 0.00 -0.05 -5.07 105.19 105.45 1wou n GLY 39 Ca 0.05 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 1wou n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wou s LYS 40 N -0.67 4.37 -0.13 1.61 1.02 -1.26 -4.74 119.74 119.93 1wou s LYS 40 Ca 0.00 0.82 -0.05 0.00 0.02 0.00 0.00 55.97 56.76 1wou s LYS 40 Cb 0.00 -3.35 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 1wou s LYS 40 CO 0.00 0.34 0.06 -1.12 -0.92 0.00 0.00 175.35 173.70 1wou s SER 41 N -0.12 5.67 0.00 2.83 0.01 -1.26 -1.48 113.70 119.35 1wou s SER 41 Ca 0.33 0.19 0.25 0.00 1.31 0.00 0.00 55.95 58.03 1wou s SER 41 Cb -0.19 -1.82 0.53 0.00 0.21 0.00 0.00 66.02 64.75 1wou s SER 41 CO 0.19 0.30 1.43 -2.67 0.41 0.00 0.00 173.24 172.89 1wou n TRP 42 N 2.70 0.00 -3.71 2.43 4.27 -1.26 -4.68 117.44 117.19 1wou n TRP 42 Ca -0.18 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.06 1wou n TRP 42 Cb 0.53 -0.22 -0.10 0.00 -1.36 0.00 0.00 31.31 30.17 1wou n TRP 42 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1wou h PRO 44 N 7.66 0.39 0.00 0.00 0.11 -1.98 -1.95 132.00 136.22 1wou h PRO 44 Ca -0.09 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 1wou h PRO 44 Cb 1.01 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.03 1wou h PRO 44 CO 0.73 0.26 -0.15 -0.44 -0.21 0.00 0.00 178.00 178.18 1wou h ASP 45 N 0.40 0.00 -0.36 -2.05 5.19 -1.93 -2.10 116.42 115.56 1wou h ASP 45 Ca 0.26 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.52 1wou h ASP 45 Cb 0.27 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1wou h ASP 45 CO -0.25 0.15 -0.34 0.00 -3.12 0.00 0.00 179.24 175.69 1wou h VAL 47 N 0.75 1.24 0.00 0.00 2.07 -1.09 -1.90 116.25 117.32 1wou h VAL 47 Ca 0.07 -0.87 -0.12 0.00 0.82 0.00 0.00 66.70 66.60 1wou h VAL 47 Cb 0.91 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 1wou h VAL 47 CO 0.08 0.32 -0.59 1.56 0.02 0.00 0.00 177.57 178.96 1wou h GLN 48 N 0.74 0.00 0.00 1.57 1.08 -1.38 -3.30 115.11 113.82 1wou h GLN 48 Ca 0.17 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.19 1wou h GLN 48 Cb 0.34 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 1wou h GLN 48 CO 0.00 0.59 -1.20 0.00 -0.95 0.00 0.00 178.83 177.27 1wou h ALA 49 N 1.41 0.65 -0.51 3.87 0.00 -1.11 -3.39 119.26 120.18 1wou h ALA 49 Ca -0.01 -0.84 0.08 0.00 0.00 0.00 0.00 54.91 54.15 1wou h ALA 49 Cb 1.04 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 1wou h ALA 49 CO 0.08 0.96 0.14 1.49 0.00 0.00 0.00 179.25 181.92 1wou h GLU 50 N 0.00 0.29 -0.29 0.00 4.81 -1.42 -1.20 114.58 116.77 1wou h GLU 50 Ca -0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1wou h GLU 50 Cb 1.61 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.91 1wou h GLU 50 CO 0.06 0.19 0.12 -1.35 -0.73 0.00 0.00 179.01 177.30 1wou h PRO 51 N 0.30 0.39 -0.19 0.92 0.11 -1.77 -0.49 132.00 131.26 1wou h PRO 51 Ca 0.25 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.24 1wou h PRO 51 Cb 0.31 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.33 1wou h PRO 51 CO -0.29 0.33 -0.18 0.28 -0.21 0.00 0.00 178.00 177.93 1wou h VAL 52 N 0.40 1.33 -0.46 3.15 2.07 -1.51 -1.69 116.25 119.54 1wou h VAL 52 Ca 0.10 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.27 1wou h VAL 52 Cb 0.08 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1wou h VAL 52 CO -0.01 0.40 0.21 0.58 0.02 0.00 0.00 177.57 178.77 1wou h VAL 53 N 0.13 1.19 -0.12 2.57 2.07 -0.85 -1.98 116.25 119.26 1wou h VAL 53 Ca 0.03 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1wou h VAL 53 Cb 0.72 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1wou h VAL 53 CO 0.05 0.21 -0.24 0.03 0.02 0.00 0.00 177.57 177.64 1wou h ARG 54 N 0.60 0.21 -0.21 1.57 3.08 -1.09 -1.56 114.38 116.98 1wou h ARG 54 Ca 0.16 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 1wou h ARG 54 Cb 0.14 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1wou h ARG 54 CO -0.02 0.44 -0.30 1.49 -1.07 0.00 0.00 179.97 180.52 1wou h GLU 55 N 0.20 0.43 0.00 0.04 4.57 -1.01 -2.29 114.58 116.51 1wou h GLU 55 Ca 0.03 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 1wou h GLU 55 Cb 0.53 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1wou h GLU 55 CO 0.04 0.69 -0.04 0.78 -1.18 0.00 0.00 179.01 179.29 1wou h GLY 56 N 1.06 0.00 2.00 1.92 0.00 -0.52 -2.80 103.07 104.73 1wou h GLY 56 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1wou h GLY 56 CO 0.06 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.01 1wou h LEU 57 N 0.00 0.00 -0.35 3.11 3.38 -1.09 -0.64 115.31 119.72 1wou h LEU 57 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wou h LEU 57 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1wou h LEU 57 CO 0.01 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.83 1wou n LYS 58 N -2.75 0.11 0.00 1.13 5.02 -1.05 -2.54 118.16 118.07 1wou n LYS 58 Ca -0.02 0.33 0.09 0.00 -2.02 0.00 0.00 58.31 56.69 1wou n LYS 58 Cb 0.11 -1.69 0.02 0.00 -0.02 0.00 0.00 35.03 33.44 1wou n LYS 58 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1wou n HIS 59 N -1.89 0.00 -1.90 2.13 8.25 -0.25 -5.01 115.22 116.55 1wou n HIS 59 Ca 0.03 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.10 1wou n HIS 59 Cb 0.21 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.33 1wou n HIS 59 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1wou s ILE 60 N -1.89 2.29 0.22 1.59 1.01 -1.05 -4.23 121.20 119.15 1wou s ILE 60 Ca 0.16 0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.78 1wou s ILE 60 Cb 0.14 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 1wou s ILE 60 CO 0.38 0.03 0.89 -0.94 0.00 0.00 0.00 174.94 175.30 1wou s SER 61 N -0.69 7.57 0.58 3.58 1.04 -1.24 -4.97 113.70 119.57 1wou s SER 61 Ca 0.61 1.86 -0.18 0.00 0.48 0.00 0.00 55.95 58.72 1wou s SER 61 Cb -0.41 -2.58 -0.07 0.00 0.10 0.00 0.00 66.02 63.06 1wou s SER 61 CO 0.52 0.17 0.66 -0.62 0.98 0.00 0.00 173.24 174.95 1wou n GLU 62 N 1.49 0.63 -0.84 4.02 1.02 -1.26 -3.34 120.64 122.35 1wou n GLU 62 Ca -0.03 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1wou n GLU 62 Cb 0.48 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 1wou n GLU 62 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wou n GLY 63 N 1.63 0.53 3.86 0.62 0.00 -1.26 -5.02 105.19 105.54 1wou n GLY 63 Ca 0.12 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1wou n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wou s VAL 65 N -2.24 1.84 -0.19 0.00 1.01 0.29 -2.70 120.40 118.41 1wou s VAL 65 Ca 0.39 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1wou s VAL 65 Cb -0.07 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.77 1wou s VAL 65 CO 0.27 0.52 -0.15 0.12 0.00 0.00 0.00 175.10 175.86 1wou s PHE 66 N -0.19 2.84 -0.26 5.22 5.36 -0.63 -0.55 117.98 129.77 1wou s PHE 66 Ca -0.01 -1.39 -0.06 0.00 -0.96 0.00 0.00 56.93 54.51 1wou s PHE 66 Cb -0.12 -1.98 -0.01 0.00 -0.34 0.00 0.00 43.02 40.57 1wou s PHE 66 CO 0.02 -0.71 0.05 0.42 -1.46 0.00 0.00 175.22 173.55 1wou s ILE 67 N 1.33 4.01 -0.34 3.12 1.01 0.49 -0.75 121.20 130.08 1wou s ILE 67 Ca 0.05 -0.41 -0.19 0.00 0.00 0.00 0.00 60.65 60.10 1wou s ILE 67 Cb -0.14 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.40 1wou s ILE 67 CO -0.09 0.27 0.55 -0.47 0.00 0.00 0.00 174.94 175.19 1wou s TYR 68 N 1.55 3.18 -0.21 3.97 5.04 0.82 -0.83 117.35 130.87 1wou s TYR 68 Ca 0.05 0.28 0.02 0.00 -2.44 0.00 0.00 57.07 54.98 1wou s TYR 68 Cb -0.16 -2.96 0.04 0.00 0.35 0.00 0.00 41.96 39.24 1wou s TYR 68 CO 0.02 -0.53 -0.14 0.00 -1.34 0.00 0.00 175.55 173.56 1wou s GLN 70 N 1.26 4.05 0.45 0.00 -0.21 -0.43 -1.32 119.66 123.47 1wou s GLN 70 Ca -0.01 0.66 0.25 0.00 0.02 0.00 0.00 55.36 56.28 1wou s GLN 70 Cb -0.16 -3.69 0.64 0.00 1.00 0.00 0.00 33.01 30.80 1wou s GLN 70 CO -0.09 -0.57 1.71 -0.39 -2.12 0.00 0.00 175.29 173.83 1wou h VAL 71 N 5.51 0.16 0.00 1.09 -1.51 -1.24 -0.86 116.25 119.40 1wou h VAL 71 Ca -0.25 -1.02 0.00 0.00 -1.23 0.00 0.00 66.70 64.20 1wou h VAL 71 Cb 1.10 1.89 0.00 0.00 -2.13 0.00 0.00 31.29 32.16 1wou h VAL 71 CO 0.85 0.08 0.00 0.61 -1.23 0.00 0.00 177.57 177.88 1wou n GLY 72 N 0.73 0.71 3.86 5.19 0.00 -1.26 -4.52 105.19 109.91 1wou n GLY 72 Ca 0.02 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 1wou n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wou s GLU 73 N -1.27 2.71 0.19 1.61 0.41 -1.26 -1.98 118.70 119.11 1wou s GLU 73 Ca 0.00 0.55 -0.12 0.00 -0.41 0.00 0.00 54.97 54.99 1wou s GLU 73 Cb 0.00 -2.00 0.23 0.00 -1.78 0.00 0.00 34.13 30.58 1wou s GLU 73 CO 0.00 -1.16 1.70 -0.22 -0.49 0.00 0.00 175.26 175.09 1wou h LYS 74 N -0.75 0.19 -0.50 1.61 3.64 -1.96 -1.50 116.57 117.29 1wou h LYS 74 Ca -0.45 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 58.95 1wou h LYS 74 Cb 1.25 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.00 1wou h LYS 74 CO 0.62 0.12 0.34 -1.35 -2.27 0.00 0.00 179.45 176.91 1wou h PRO 75 N 0.19 0.54 -0.15 1.90 0.11 -1.99 -0.28 132.00 132.33 1wou h PRO 75 Ca 0.27 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.18 1wou h PRO 75 Cb 0.40 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.39 1wou h PRO 75 CO -0.39 0.36 -0.57 -0.92 -0.21 0.00 0.00 178.00 176.27 1wou h TYR 76 N 0.56 0.85 -0.50 0.65 5.03 -1.71 -2.95 116.97 118.90 1wou h TYR 76 Ca 0.20 -0.36 -0.05 0.00 2.58 0.00 0.00 58.73 61.10 1wou h TYR 76 Cb 0.12 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.24 1wou h TYR 76 CO -0.00 1.16 0.10 2.35 -1.32 0.00 0.00 178.16 180.44 1wou h TRP 77 N 0.31 0.79 0.00 -3.82 2.91 -0.68 -2.59 115.95 112.87 1wou h TRP 77 Ca -0.03 -0.07 -0.03 0.00 1.13 0.00 0.00 58.89 59.89 1wou h TRP 77 Cb 1.20 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.62 1wou h TRP 77 CO 0.10 0.68 -0.13 0.87 -1.03 0.00 0.00 178.44 178.93 1wou h LYS 78 N 0.73 0.00 -6.30 2.65 1.57 -1.03 -3.43 116.57 110.76 1wou h LYS 78 Ca 0.16 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.40 1wou h LYS 78 Cb 0.30 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.63 1wou h LYS 78 CO 0.00 0.13 1.26 0.34 -0.57 0.00 0.00 179.45 180.61 1wou s ASP 79 N -6.01 6.33 0.29 0.86 -1.08 -0.98 -4.86 116.67 111.23 1wou s ASP 79 Ca -0.01 2.50 0.23 0.00 -0.52 0.00 0.00 52.55 54.76 1wou s ASP 79 Cb 0.11 -2.53 1.08 0.00 -1.46 0.00 0.00 42.92 40.12 1wou s ASP 79 CO 0.59 -1.17 1.71 -0.81 0.52 0.00 0.00 175.17 176.00 1wou n PRO 80 N 7.68 0.18 -0.25 4.34 -0.04 -1.26 -2.27 135.00 143.38 1wou n PRO 80 Ca 0.21 0.51 0.11 0.00 -0.04 0.00 0.00 63.50 64.29 1wou n PRO 80 Cb 0.42 -1.92 0.27 0.00 -0.04 0.00 0.00 33.50 32.22 1wou n PRO 80 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1wou n ASN 81 N -2.28 3.32 -4.75 3.54 3.02 -1.26 -4.68 115.26 112.16 1wou n ASN 81 Ca 0.01 -1.97 -0.35 0.00 -0.03 0.00 0.00 54.58 52.23 1wou n ASN 81 Cb 0.16 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 39.04 1wou n ASN 81 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1wou s ASN 82 N -1.25 5.09 0.48 6.41 2.20 -0.96 -4.78 114.94 122.12 1wou s ASN 82 Ca 0.41 2.29 0.20 0.00 -0.94 0.00 0.00 52.86 54.82 1wou s ASN 82 Cb 0.22 -2.59 1.21 0.00 -2.00 0.00 0.00 41.25 38.09 1wou s ASN 82 CO 0.30 -1.66 1.97 0.44 -2.94 0.00 0.00 177.10 175.21 1wou h ASP 83 N 0.60 0.20 -0.36 3.54 3.32 -1.94 -2.20 116.42 119.59 1wou h ASP 83 Ca -0.49 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.51 1wou h ASP 83 Cb 1.28 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.79 1wou h ASP 83 CO 0.54 0.11 -0.01 -0.26 -1.72 0.00 0.00 179.24 177.90 1wou h PHE 84 N 0.22 0.70 -0.04 4.55 0.04 -1.90 0.17 116.94 120.67 1wou h PHE 84 Ca 0.30 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 1wou h PHE 84 Cb 0.87 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1wou h PHE 84 CO -0.00 0.75 -0.01 0.00 -0.60 0.00 0.00 178.31 178.45 1wou h ARG 85 N 0.45 0.08 -0.06 1.51 3.08 -1.47 -2.09 114.38 115.88 1wou h ARG 85 Ca 0.10 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.90 1wou h ARG 85 Cb 0.48 -0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.53 1wou h ARG 85 CO 0.02 0.42 -0.87 1.57 -1.07 0.00 0.00 179.97 180.04 1wou h LYS 86 N -0.26 0.56 0.08 0.04 2.10 -1.45 -2.72 116.57 114.92 1wou h LYS 86 Ca 0.01 -0.53 -0.36 0.00 -2.00 0.00 0.00 60.65 57.78 1wou h LYS 86 Cb 0.39 0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 1wou h LYS 86 CO 0.00 1.15 -2.03 0.09 -2.00 0.00 0.00 179.45 176.67 1wou n ASN 87 N -3.84 1.81 -0.21 7.07 5.03 0.04 -4.52 115.26 120.65 1wou n ASN 87 Ca -0.07 0.19 0.07 0.00 0.87 0.00 0.00 54.58 55.64 1wou n ASN 87 Cb 0.79 -0.59 -0.03 0.00 -1.02 0.00 0.00 39.78 38.93 1wou n ASN 87 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1wou n LEU 88 N -3.35 1.19 -2.52 3.41 4.77 -0.88 -4.99 117.00 114.63 1wou n LEU 88 Ca -0.31 -0.66 -0.20 0.00 -0.03 0.00 0.00 56.01 54.80 1wou n LEU 88 Cb 1.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 42.15 1wou n LEU 88 CO 0.41 0.25 -0.12 0.29 -1.33 0.00 0.00 177.39 176.88 1wou n LYS 89 N -0.60 -3.11 -3.20 3.23 5.02 -0.84 -4.95 118.16 113.70 1wou n LYS 89 Ca 0.05 0.90 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 1wou n LYS 89 Cb 0.27 -5.55 -0.08 0.00 -0.02 0.00 0.00 35.03 29.65 1wou n LYS 89 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1wou s VAL 90 N -3.06 4.96 -0.65 -0.18 1.01 -0.97 -4.91 120.40 116.60 1wou s VAL 90 Ca 0.15 0.19 0.07 0.00 0.00 0.00 0.00 61.98 62.39 1wou s VAL 90 Cb -0.06 -4.06 0.20 0.00 0.00 0.00 0.00 36.38 32.46 1wou s VAL 90 CO 0.18 -0.37 1.15 0.35 0.00 0.00 0.00 175.10 176.41 1wou n THR 91 N 5.57 0.94 -3.57 3.92 -2.24 -1.26 -3.58 114.28 114.06 1wou n THR 91 Ca -0.04 -0.97 -0.16 0.00 -2.27 0.00 0.00 64.05 60.61 1wou n THR 91 Cb 0.48 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.19 1wou n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wou s ALA 92 N -0.98 -1.50 -0.00 6.98 0.00 -1.26 -5.12 121.76 119.87 1wou s ALA 92 Ca 0.15 0.97 0.05 0.00 0.00 0.00 0.00 51.96 53.13 1wou s ALA 92 Cb 0.08 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1wou s ALA 92 CO 0.11 -0.39 -0.15 0.14 0.00 0.00 0.00 175.76 175.47 1wou s VAL 93 N -1.56 1.16 0.54 0.00 -7.23 -1.26 -3.92 120.40 108.13 1wou s VAL 93 Ca -0.10 -0.69 -0.17 0.00 -1.81 0.00 0.00 61.98 59.21 1wou s VAL 93 Cb -0.01 -0.98 -0.06 0.00 0.56 0.00 0.00 36.38 35.88 1wou s VAL 93 CO 0.06 0.28 1.03 -2.16 -0.31 0.00 0.00 175.10 173.99 1wou s PRO 94 N -0.47 3.65 -0.02 4.82 0.04 -1.26 -4.75 135.00 137.01 1wou s PRO 94 Ca 0.05 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.26 1wou s PRO 94 Cb -0.06 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.41 1wou s PRO 94 CO -0.00 -0.53 -0.00 0.99 0.04 0.00 0.00 177.00 177.49 1wou s THR 95 N -2.38 0.14 -0.24 1.26 2.01 -0.95 -0.96 115.64 114.51 1wou s THR 95 Ca 0.63 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.66 1wou s THR 95 Cb -0.14 -0.19 0.03 0.00 0.01 0.00 0.00 72.50 72.21 1wou s THR 95 CO 0.30 0.10 -0.09 -0.22 -0.69 0.00 0.00 174.62 174.02 1wou s LEU 96 N 0.60 3.05 0.02 4.42 2.96 -0.05 -0.46 118.68 129.21 1wou s LEU 96 Ca -0.06 -0.91 0.08 0.00 -0.22 0.00 0.00 54.13 53.03 1wou s LEU 96 Cb -0.08 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 1wou s LEU 96 CO -0.01 -0.11 -0.25 -0.22 -1.32 0.00 0.00 176.35 174.44 1wou s LEU 97 N 1.29 2.12 -0.54 -0.68 2.96 0.47 -0.24 118.68 124.04 1wou s LEU 97 Ca -0.00 -0.52 -0.17 0.00 -0.22 0.00 0.00 54.13 53.22 1wou s LEU 97 Cb -0.16 -1.23 0.11 0.00 0.50 0.00 0.00 46.19 45.40 1wou s LEU 97 CO -0.06 0.26 0.55 -0.75 -1.32 0.00 0.00 176.35 175.04 1wou s LYS 98 N -0.94 3.02 0.16 1.98 2.20 -0.60 -0.09 119.74 125.46 1wou s LYS 98 Ca 0.10 -1.46 -0.34 0.00 -0.36 0.00 0.00 55.97 53.92 1wou s LYS 98 Cb -0.10 -4.24 -0.15 0.00 -1.51 0.00 0.00 37.83 31.83 1wou s LYS 98 CO 0.01 -1.33 1.27 0.98 -0.36 0.00 0.00 175.35 175.91 1wou n TYR 99 N 5.65 1.53 -0.39 4.03 9.36 0.15 -1.79 117.16 135.70 1wou n TYR 99 Ca -0.12 0.61 0.00 0.00 3.32 0.00 0.00 57.90 61.71 1wou n TYR 99 Cb 0.42 -2.33 0.00 0.00 -0.63 0.00 0.00 39.34 36.79 1wou n TYR 99 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wou n GLY 100 N 2.25 1.84 3.67 2.98 0.00 -1.26 -4.69 105.19 109.98 1wou n GLY 100 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1wou n GLY 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wou s THR 101 N -3.25 1.21 -0.19 2.61 -4.23 -0.74 -5.06 115.64 105.99 1wou s THR 101 Ca 0.00 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 1wou s THR 101 Cb 0.00 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.48 1wou s THR 101 CO 0.00 0.00 1.20 1.55 -0.54 0.00 0.00 174.62 176.83 1wou h PRO 102 N 1.55 0.00 -6.13 3.99 0.13 -1.95 -3.45 132.00 126.13 1wou h PRO 102 Ca -0.42 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 1wou h PRO 102 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1wou h PRO 102 CO 0.72 0.30 1.28 1.04 -0.23 0.00 0.00 178.00 181.11 1wou n GLN 103 N -3.02 1.87 -3.64 0.86 3.00 -1.26 -4.94 117.38 110.24 1wou n GLN 103 Ca -0.02 0.62 -0.15 0.00 -0.01 0.00 0.00 57.00 57.43 1wou n GLN 103 Cb 0.72 -2.75 -0.08 0.00 0.00 0.00 0.00 30.24 28.13 1wou n GLN 103 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1wou s LYS 104 N 5.19 0.82 -0.04 -1.09 -2.85 -1.26 -1.56 119.74 118.95 1wou s LYS 104 Ca 0.99 0.23 0.07 0.00 -1.00 0.00 0.00 55.97 56.26 1wou s LYS 104 Cb -0.64 0.38 -0.02 0.00 -2.06 0.00 0.00 37.83 35.49 1wou s LYS 104 CO 0.47 -0.22 -0.24 -0.51 0.10 0.00 0.00 175.35 174.95 1wou s LEU 105 N -0.87 2.15 0.02 2.77 1.43 0.66 -4.97 118.68 119.88 1wou s LEU 105 Ca -0.09 -0.44 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 1wou s LEU 105 Cb -0.03 -1.38 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1wou s LEU 105 CO 0.06 0.30 -0.14 -0.69 0.23 0.00 0.00 176.35 176.11 1wou s VAL 106 N -0.49 1.12 0.00 -1.59 1.01 -1.26 -0.88 120.40 118.31 1wou s VAL 106 Ca 0.06 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1wou s VAL 106 Cb -0.11 -0.98 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1wou s VAL 106 CO 0.01 0.11 0.00 -0.62 0.00 0.00 0.00 175.10 174.59 1wou n GLU 107 N 2.17 0.00 0.28 2.72 1.02 -0.13 -1.33 120.64 125.37 1wou n GLU 107 Ca -0.17 0.00 0.19 0.00 -0.02 0.00 0.00 57.16 57.16 1wou n GLU 107 Cb 0.55 0.00 1.00 0.00 -0.02 0.00 0.00 31.44 32.97 1wou n GLU 107 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1wou h SER 108 N 0.00 0.00 0.27 1.62 0.02 -1.97 -0.87 113.55 112.62 1wou h SER 108 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1wou h SER 108 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1wou h SER 108 CO 0.00 0.00 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.18 1wou h GLU 109 N 0.00 0.00 0.00 3.45 5.08 -1.58 -1.96 114.58 119.57 1wou h GLU 109 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1wou h GLU 109 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1wou h GLU 109 CO 0.00 0.18 0.00 0.00 -1.00 0.00 0.00 179.01 178.19 1wou n LEU 111 N -1.40 1.49 -4.45 0.00 4.77 -0.74 -4.46 117.00 112.22 1wou n LEU 111 Ca 0.07 -0.52 -0.43 0.00 -0.03 0.00 0.00 56.01 55.10 1wou n LEU 111 Cb 0.19 -0.06 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 1wou n LEU 111 CO 0.17 0.29 0.03 -1.10 -1.33 0.00 0.00 177.39 175.44 1wou s GLN 112 N -2.57 3.01 0.28 3.23 -1.52 -1.07 -4.96 119.66 116.07 1wou s GLN 112 Ca 0.19 -1.03 0.02 0.00 -1.95 0.00 0.00 55.36 52.59 1wou s GLN 112 Cb 0.18 -4.02 0.60 0.00 -0.22 0.00 0.00 33.01 29.55 1wou s GLN 112 CO 0.59 -0.88 1.80 0.00 -0.25 0.00 0.00 175.29 176.55 1wou h ALA 113 N 8.71 1.50 -0.31 6.09 0.00 -1.88 -1.92 119.26 131.46 1wou h ALA 113 Ca -0.27 0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1wou h ALA 113 Cb 1.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1wou h ALA 113 CO 0.80 0.06 0.12 -2.95 0.00 0.00 0.00 179.25 177.28 1wou h ASN 114 N 0.83 0.15 -0.49 0.00 -1.07 -1.95 0.15 115.58 113.19 1wou h ASN 114 Ca 0.51 0.03 -0.06 0.00 0.07 0.00 0.00 56.30 56.85 1wou h ASN 114 Cb 0.65 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.89 1wou h ASN 114 CO -0.32 0.12 0.08 -0.07 0.07 0.00 0.00 177.43 177.31 1wou h LEU 115 N 0.27 0.79 -0.42 6.14 4.07 -1.72 -1.76 115.31 122.67 1wou h LEU 115 Ca 0.13 -0.26 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1wou h LEU 115 Cb 0.09 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 41.60 1wou h LEU 115 CO -0.12 0.85 0.21 0.58 -1.08 0.00 0.00 178.44 178.87 1wou h VAL 116 N 0.69 1.17 -0.59 1.22 2.07 -1.06 -2.28 116.25 117.48 1wou h VAL 116 Ca 0.15 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 1wou h VAL 116 Cb 0.39 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1wou h VAL 116 CO 0.01 0.19 0.33 -0.33 0.02 0.00 0.00 177.57 177.79 1wou h GLU 117 N 0.55 0.81 0.00 1.57 5.08 -0.60 -2.07 114.58 119.92 1wou h GLU 117 Ca 0.15 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1wou h GLU 117 Cb 0.11 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.19 1wou h GLU 117 CO -0.02 0.61 -0.13 1.98 -1.00 0.00 0.00 179.01 180.45 1wou h MET 118 N 0.79 0.00 0.22 2.33 4.05 -1.09 0.21 114.93 121.44 1wou h MET 118 Ca 0.21 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.31 1wou h MET 118 Cb 0.03 0.00 0.04 0.00 -0.80 0.00 0.00 31.60 30.86 1wou h MET 118 CO -0.03 0.13 -1.37 1.25 0.23 0.00 0.00 176.91 177.12 1wou h LEU 119 N 0.00 0.82 -0.29 3.39 5.85 -0.93 -3.33 115.31 120.83 1wou h LEU 119 Ca -0.00 -0.91 -0.13 0.00 0.84 0.00 0.00 57.88 57.68 1wou h LEU 119 Cb 0.28 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1wou h LEU 119 CO 0.02 1.66 -0.63 -0.26 -0.34 0.00 0.00 178.44 178.89 1wou h PHE 120 N 0.11 0.00 0.00 1.25 0.04 -1.02 -3.39 116.94 113.93 1wou h PHE 120 Ca -0.23 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1wou h PHE 120 Cb 2.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.22 1wou h PHE 120 CO 0.14 0.63 0.00 0.43 -0.60 0.00 0.00 178.31 178.90 1wou n SER 121 N -3.39 0.00 -0.09 2.17 7.64 0.71 -3.65 113.62 117.01 1wou n SER 121 Ca 0.01 0.00 0.16 0.00 1.01 0.00 0.00 58.87 60.04 1wou n SER 121 Cb 0.73 0.00 0.87 0.00 -1.01 0.00 0.00 64.21 64.80 1wou n SER 121 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24