#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w01 n PRO 4 N 0.00 1.45 -1.73 1.96 -0.02 -1.26 -4.90 135.00 130.49 1w01 n PRO 4 Ca 0.00 0.51 -0.29 0.00 -2.02 0.00 0.00 63.50 61.70 1w01 n PRO 4 Cb 0.00 -1.96 0.13 0.00 -0.02 0.00 0.00 33.50 31.65 1w01 n PRO 4 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1w01 s THR 5 N -0.73 1.98 0.22 3.45 -4.23 -1.26 -3.94 115.64 111.13 1w01 s THR 5 Ca 0.63 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.06 1w01 s THR 5 Cb -0.72 -2.88 0.17 0.00 1.34 0.00 0.00 72.50 70.41 1w01 s THR 5 CO 0.57 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.46 1w01 h ALA 6 N -1.40 0.98 -0.32 3.99 0.00 -1.93 -1.10 119.26 119.49 1w01 h ALA 6 Ca -0.47 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.36 1w01 h ALA 6 Cb 1.31 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1w01 h ALA 6 CO 0.58 0.06 -0.21 1.96 0.00 0.00 0.00 179.25 181.65 1w01 h GLN 7 N 0.71 0.61 -0.17 0.00 4.20 -1.93 -2.33 115.11 116.21 1w01 h GLN 7 Ca 0.33 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1w01 h GLN 7 Cb 0.25 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 1w01 h GLN 7 CO -0.21 0.77 -0.40 0.93 -0.67 0.00 0.00 178.83 179.25 1w01 h GLU 8 N 0.54 0.38 -0.28 1.46 5.08 -1.75 -2.19 114.58 117.82 1w01 h GLU 8 Ca 0.08 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 1w01 h GLU 8 Cb 0.65 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1w01 h GLU 8 CO 0.05 0.72 0.05 0.28 -1.00 0.00 0.00 179.01 179.11 1w01 h VAL 9 N 0.32 1.23 -0.98 3.13 2.07 -0.97 0.14 116.25 121.18 1w01 h VAL 9 Ca 0.03 -0.78 0.08 0.00 0.82 0.00 0.00 66.70 66.84 1w01 h VAL 9 Cb 0.85 1.20 -0.07 0.00 -1.52 0.00 0.00 31.29 31.75 1w01 h VAL 9 CO 0.07 0.25 0.63 1.56 0.02 0.00 0.00 177.57 180.10 1w01 h GLN 10 N 0.29 1.07 0.01 1.57 4.20 -1.20 -0.23 115.11 120.82 1w01 h GLN 10 Ca 0.09 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 1w01 h GLN 10 Cb 0.33 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1w01 h GLN 10 CO 0.00 0.71 -0.01 0.78 -0.67 0.00 0.00 178.83 179.65 1w01 h GLY 11 N 1.11 -0.01 0.74 3.46 0.00 -0.93 -2.08 103.07 105.35 1w01 h GLY 11 Ca 0.43 0.01 0.05 0.00 0.00 0.00 0.00 47.33 47.82 1w01 h GLY 11 CO -0.18 -0.01 0.42 1.41 0.00 0.00 0.00 176.54 178.18 1w01 h LEU 12 N -0.49 0.65 -0.39 3.11 3.38 -0.44 -1.92 115.31 119.21 1w01 h LEU 12 Ca -0.00 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.82 1w01 h LEU 12 Cb 0.48 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1w01 h LEU 12 CO 0.00 0.43 -0.43 0.24 0.09 0.00 0.00 178.44 178.77 1w01 h MET 13 N 0.78 0.89 -0.54 1.13 2.86 -1.08 -2.41 114.93 116.57 1w01 h MET 13 Ca 0.31 -0.49 -0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1w01 h MET 13 Cb 0.14 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 1w01 h MET 13 CO -0.16 1.14 0.33 0.00 1.06 0.00 0.00 176.91 179.28 1w01 h ALA 14 N 0.78 0.69 -0.69 6.32 0.00 -1.18 -1.96 119.26 123.23 1w01 h ALA 14 Ca 0.05 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w01 h ALA 14 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1w01 h ALA 14 CO 0.10 0.18 0.45 -0.09 0.00 0.00 0.00 179.25 179.89 1w01 h ARG 15 N 0.73 0.88 -0.42 0.00 2.43 -1.27 -2.67 114.38 114.06 1w01 h ARG 15 Ca 0.19 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1w01 h ARG 15 Cb -0.01 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.30 1w01 h ARG 15 CO -0.04 0.58 0.22 -0.92 -1.51 0.00 0.00 179.97 178.30 1w01 h TYR 16 N 0.91 0.40 -0.32 2.20 3.20 -0.84 0.40 116.97 122.91 1w01 h TYR 16 Ca 0.26 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 1w01 h TYR 16 Cb -0.07 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.07 1w01 h TYR 16 CO -0.00 0.21 -0.00 0.82 -1.64 0.00 0.00 178.16 177.55 1w01 h ILE 17 N 0.43 1.19 -0.49 1.81 5.03 -1.23 -1.17 117.51 123.09 1w01 h ILE 17 Ca 0.18 -0.76 -0.05 0.00 -0.12 0.00 0.00 64.86 64.11 1w01 h ILE 17 Cb 0.08 0.95 -0.02 0.00 -3.03 0.00 0.00 36.82 34.80 1w01 h ILE 17 CO -0.12 0.26 0.13 -0.08 -0.68 0.00 0.00 178.15 177.66 1w01 h GLU 18 N 0.48 0.78 -0.55 2.37 4.57 -1.02 0.83 114.58 122.04 1w01 h GLU 18 Ca 0.10 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.03 1w01 h GLU 18 Cb 0.32 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 1w01 h GLU 18 CO 0.01 0.75 0.05 -0.07 -1.18 0.00 0.00 179.01 178.57 1w01 h LEU 19 N 0.66 0.86 -0.26 1.64 3.38 -0.20 -1.75 115.31 119.64 1w01 h LEU 19 Ca 0.15 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 1w01 h LEU 19 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1w01 h LEU 19 CO 0.00 0.89 -0.07 0.58 0.09 0.00 0.00 178.44 179.93 1w01 h VAL 20 N 0.85 1.29 -0.90 1.22 2.07 -0.93 0.17 116.25 120.02 1w01 h VAL 20 Ca 0.17 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.63 1w01 h VAL 20 Cb 0.43 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1w01 h VAL 20 CO 0.01 0.34 0.58 -0.78 0.02 0.00 0.00 177.57 177.75 1w01 h ASP 21 N 0.25 0.95 1.68 0.57 3.58 -0.61 -2.41 116.42 120.42 1w01 h ASP 21 Ca 0.06 -0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.51 1w01 h ASP 21 Cb 0.55 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.39 1w01 h ASP 21 CO 0.03 0.64 -0.32 1.62 -2.88 0.00 0.00 179.24 178.33 1w01 h VAL 22 N 1.11 0.01 -0.35 2.25 3.04 -1.25 -3.43 116.25 117.62 1w01 h VAL 22 Ca 0.36 -1.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.02 1w01 h VAL 22 Cb 0.04 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1w01 h VAL 22 CO -0.13 0.01 -0.01 0.61 -1.01 0.00 0.00 177.57 177.03 1w01 n GLY 23 N 1.13 0.50 3.47 3.17 0.00 0.02 -4.98 105.19 108.50 1w01 n GLY 23 Ca 0.03 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1w01 n GLY 23 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1w01 s ASP 24 N -2.98 6.69 0.20 1.61 -1.08 -1.03 -4.87 116.67 115.20 1w01 s ASP 24 Ca 0.00 -2.12 -0.11 0.00 -0.52 0.00 0.00 52.55 49.81 1w01 s ASP 24 Cb -0.00 -2.43 0.20 0.00 -1.46 0.00 0.00 42.92 39.23 1w01 s ASP 24 CO 0.00 -1.09 1.79 0.40 0.52 0.00 0.00 175.17 176.80 1w01 h ILE 25 N 5.79 0.95 -0.33 4.11 2.04 -1.94 -2.19 117.51 125.94 1w01 h ILE 25 Ca 0.20 -0.20 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 1w01 h ILE 25 Cb 0.99 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 1w01 h ILE 25 CO 1.19 0.11 -0.11 -0.33 0.00 0.00 0.00 178.15 179.01 1w01 h GLU 26 N 0.59 0.57 -0.04 2.37 5.08 -1.99 -1.55 114.58 119.61 1w01 h GLU 26 Ca 0.27 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1w01 h GLU 26 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1w01 h GLU 26 CO -0.18 0.67 -0.67 0.00 -1.00 0.00 0.00 179.01 177.83 1w01 h ALA 27 N 1.36 0.79 -0.07 3.43 0.00 -1.92 -2.61 119.26 120.24 1w01 h ALA 27 Ca 0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1w01 h ALA 27 Cb 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1w01 h ALA 27 CO 0.03 0.79 0.01 0.82 0.00 0.00 0.00 179.25 180.90 1w01 h ILE 28 N 0.12 1.21 -0.30 0.00 2.04 -0.97 -2.99 117.51 116.62 1w01 h ILE 28 Ca -0.01 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.21 1w01 h ILE 28 Cb 1.20 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 1w01 h ILE 28 CO 0.10 0.18 0.18 0.58 0.00 0.00 0.00 178.15 179.18 1w01 h VAL 29 N -0.11 1.09 0.00 1.67 2.07 -1.26 -1.42 116.25 118.30 1w01 h VAL 29 Ca 0.02 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.33 1w01 h VAL 29 Cb 0.27 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1w01 h VAL 29 CO 0.00 0.09 0.00 1.56 0.02 0.00 0.00 177.57 179.25 1w01 h GLN 30 N 0.41 0.00 0.00 1.57 1.08 -1.34 -2.51 115.11 114.32 1w01 h GLN 30 Ca 0.11 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.26 1w01 h GLN 30 Cb -0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 1w01 h GLN 30 CO -0.02 0.00 -0.23 0.52 -0.95 0.00 0.00 178.83 178.15 1w01 h MET 31 N 0.00 0.00 -6.89 1.46 2.86 -1.12 -3.45 114.93 107.79 1w01 h MET 31 Ca 0.00 0.00 -0.47 0.00 -2.06 0.00 0.00 59.70 57.17 1w01 h MET 31 Cb 0.53 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 1w01 h MET 31 CO 0.00 0.23 0.22 0.71 1.06 0.00 0.00 176.91 179.13 1w01 s TYR 32 N -3.30 3.36 0.68 -0.22 1.51 -0.95 -0.91 117.35 117.52 1w01 s TYR 32 Ca 0.04 1.43 -0.14 0.00 -1.01 0.00 0.00 57.07 57.39 1w01 s TYR 32 Cb 0.08 -2.70 0.01 0.00 -0.11 0.00 0.00 41.96 39.23 1w01 s TYR 32 CO 0.67 0.01 1.10 0.00 -1.11 0.00 0.00 175.55 176.21 1w01 s ALA 33 N -2.05 2.47 0.54 3.71 0.00 -0.37 -4.72 121.76 121.32 1w01 s ALA 33 Ca 0.58 0.44 0.25 0.00 0.00 0.00 0.00 51.96 53.23 1w01 s ALA 33 Cb -0.10 -3.29 1.42 0.00 0.00 0.00 0.00 23.12 21.15 1w01 s ALA 33 CO 0.16 -1.32 2.01 0.38 0.00 0.00 0.00 175.76 176.98 1w01 h ASP 34 N -0.21 0.00 -0.03 0.00 2.03 -1.93 -1.94 116.42 114.35 1w01 h ASP 34 Ca -0.46 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 55.83 1w01 h ASP 34 Cb 1.24 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.73 1w01 h ASP 34 CO 0.54 0.00 -0.39 -0.90 -1.03 0.00 0.00 179.24 177.46 1w01 n ASP 35 N -4.29 1.88 -4.64 4.15 5.75 -1.26 -2.57 116.55 115.56 1w01 n ASP 35 Ca 0.08 -3.78 -0.30 0.00 -0.01 0.00 0.00 54.79 50.78 1w01 n ASP 35 Cb 0.55 -0.52 0.18 0.00 -1.03 0.00 0.00 41.12 40.30 1w01 n ASP 35 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1w01 s ALA 36 N -3.19 1.10 0.02 2.12 0.00 -0.73 -4.45 121.76 116.64 1w01 s ALA 36 Ca 0.38 0.42 0.09 0.00 0.00 0.00 0.00 51.96 52.84 1w01 s ALA 36 Cb 0.36 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 20.06 1w01 s ALA 36 CO -0.05 -2.94 -0.26 0.99 0.00 0.00 0.00 175.76 173.50 1w01 s THR 37 N -2.63 2.07 -0.07 0.00 2.01 -0.49 -1.92 115.64 114.61 1w01 s THR 37 Ca 0.67 -1.28 0.01 0.00 0.31 0.00 0.00 61.69 61.40 1w01 s THR 37 Cb -0.23 -1.75 0.02 0.00 0.01 0.00 0.00 72.50 70.55 1w01 s THR 37 CO 0.59 0.43 -0.09 -0.69 -0.69 0.00 0.00 174.62 174.17 1w01 s VAL 38 N -0.73 0.93 -0.37 3.82 1.01 -0.75 -1.36 120.40 122.94 1w01 s VAL 38 Ca 0.11 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.79 1w01 s VAL 38 Cb -0.10 -0.89 0.11 0.00 0.00 0.00 0.00 36.38 35.50 1w01 s VAL 38 CO 0.01 0.32 0.12 -1.61 0.00 0.00 0.00 175.10 173.94 1w01 s GLU 39 N 0.96 1.33 -0.24 2.72 2.02 -0.28 -0.36 118.70 124.85 1w01 s GLU 39 Ca -0.10 -1.80 -0.03 0.00 0.02 0.00 0.00 54.97 53.06 1w01 s GLU 39 Cb -0.15 -2.81 0.10 0.00 0.10 0.00 0.00 34.13 31.38 1w01 s GLU 39 CO 0.00 -1.00 0.20 0.34 0.02 0.00 0.00 175.26 174.82 1w01 s ASP 40 N 0.84 2.08 0.50 -0.19 -1.08 -1.26 -1.57 116.67 115.99 1w01 s ASP 40 Ca 0.12 -0.67 -0.19 0.00 -0.52 0.00 0.00 52.55 51.30 1w01 s ASP 40 Cb -0.20 0.17 -0.08 0.00 -1.46 0.00 0.00 42.92 41.35 1w01 s ASP 40 CO -0.10 -0.37 1.02 -2.16 0.52 0.00 0.00 175.17 174.08 1w01 s PRO 41 N 2.26 3.80 0.25 4.34 0.05 -1.26 -5.02 135.00 139.42 1w01 s PRO 41 Ca 0.07 1.25 -0.31 0.00 0.05 0.00 0.00 61.00 62.07 1w01 s PRO 41 Cb -0.15 -2.10 -0.12 0.00 0.05 0.00 0.00 34.50 32.18 1w01 s PRO 41 CO -0.23 -0.42 1.66 0.12 0.05 0.00 0.00 177.00 178.18 1w01 s PHE 42 N -2.16 2.83 0.00 0.56 5.36 0.34 -2.08 117.98 122.83 1w01 s PHE 42 Ca 0.65 0.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.17 1w01 s PHE 42 Cb -0.14 -4.11 0.00 0.00 -0.34 0.00 0.00 43.02 38.43 1w01 s PHE 42 CO 0.23 -3.98 0.00 0.41 -1.46 0.00 0.00 175.22 170.41 1w01 n GLY 43 N 3.10 1.55 3.96 13.12 0.00 -1.26 -4.91 105.19 120.76 1w01 n GLY 43 Ca 0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1w01 n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1w01 s GLN 44 N 0.00 3.21 0.22 1.61 -0.21 -0.88 -5.05 119.66 118.57 1w01 s GLN 44 Ca 0.00 -0.93 -0.32 0.00 0.02 0.00 0.00 55.36 54.13 1w01 s GLN 44 Cb 0.00 -2.81 -0.13 0.00 1.00 0.00 0.00 33.01 31.07 1w01 s GLN 44 CO 0.00 0.24 1.55 -0.35 -2.12 0.00 0.00 175.29 174.60 1w01 n PRO 45 N -1.50 2.32 -1.87 2.91 -0.04 -1.26 -4.81 135.00 130.75 1w01 n PRO 45 Ca -0.04 0.83 -0.36 0.00 -0.04 0.00 0.00 63.50 63.89 1w01 n PRO 45 Cb 0.58 -2.58 0.05 0.00 -0.04 0.00 0.00 33.50 31.51 1w01 n PRO 45 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1w01 s PRO 46 N 0.20 2.77 -0.07 0.54 0.04 -1.26 -4.86 135.00 132.36 1w01 s PRO 46 Ca 0.71 1.81 -0.09 0.00 0.04 0.00 0.00 61.00 63.48 1w01 s PRO 46 Cb -0.60 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 31.99 1w01 s PRO 46 CO 0.43 -1.36 0.22 0.42 0.04 0.00 0.00 177.00 176.76 1w01 s ILE 47 N -1.68 5.36 -0.06 0.56 1.01 0.51 -4.92 121.20 121.98 1w01 s ILE 47 Ca 0.77 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.80 1w01 s ILE 47 Cb -0.30 -3.50 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1w01 s ILE 47 CO 0.36 0.56 -0.19 -2.28 0.00 0.00 0.00 174.94 173.40 1w01 s HIS 48 N -1.09 1.92 0.00 3.97 2.46 -1.26 -1.81 115.29 119.47 1w01 s HIS 48 Ca 0.19 -0.62 0.00 0.00 0.47 0.00 0.00 55.06 55.10 1w01 s HIS 48 Cb -0.13 -1.30 0.00 0.00 -0.13 0.00 0.00 32.58 31.02 1w01 s HIS 48 CO 0.08 -0.23 0.00 0.41 -2.47 0.00 0.00 174.74 172.54 1w01 n GLY 49 N 3.27 -1.50 0.37 1.59 0.00 -0.81 -4.19 105.19 103.92 1w01 n GLY 49 Ca -0.19 -1.42 0.03 0.00 0.00 0.00 0.00 46.02 44.45 1w01 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1w01 h ARG 50 N 0.00 1.08 -0.14 1.61 3.08 -1.74 0.70 114.38 118.97 1w01 h ARG 50 Ca 0.00 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1w01 h ARG 50 Cb 0.00 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1w01 h ARG 50 CO 0.00 0.72 -0.00 1.49 -1.07 0.00 0.00 179.97 181.11 1w01 h GLU 51 N 1.12 0.04 -0.42 0.04 4.81 -1.88 0.45 114.58 118.74 1w01 h GLU 51 Ca 0.42 -0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 1w01 h GLU 51 Cb 0.19 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1w01 h GLU 51 CO -0.17 0.03 -0.21 1.96 -0.73 0.00 0.00 179.01 179.89 1w01 h GLN 52 N 0.04 0.84 -0.53 1.92 4.20 -1.62 -1.78 115.11 118.19 1w01 h GLN 52 Ca 0.07 -0.34 -0.08 0.00 0.06 0.00 0.00 58.65 58.35 1w01 h GLN 52 Cb 0.08 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 1w01 h GLN 52 CO -0.11 0.98 0.02 0.82 -0.67 0.00 0.00 178.83 179.86 1w01 h ILE 53 N 0.74 1.26 -0.56 2.54 2.04 -0.44 -0.97 117.51 122.12 1w01 h ILE 53 Ca 0.10 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.88 1w01 h ILE 53 Cb 0.75 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 1w01 h ILE 53 CO 0.06 0.38 0.30 0.00 0.00 0.00 0.00 178.15 178.89 1w01 h ALA 54 N 0.95 0.72 -0.67 1.87 0.00 0.03 -0.94 119.26 121.22 1w01 h ALA 54 Ca 0.15 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1w01 h ALA 54 Cb 0.50 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1w01 h ALA 54 CO 0.02 0.24 0.26 0.00 0.00 0.00 0.00 179.25 179.77 1w01 h ALA 55 N 1.13 1.19 -0.37 0.00 0.00 -1.13 -0.05 119.26 120.04 1w01 h ALA 55 Ca 0.20 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1w01 h ALA 55 Cb 0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1w01 h ALA 55 CO -0.03 0.58 0.10 0.35 0.00 0.00 0.00 179.25 180.25 1w01 h PHE 56 N 0.97 0.62 -0.08 0.00 3.57 -0.50 -2.42 116.94 119.10 1w01 h PHE 56 Ca 0.22 -0.07 -0.18 0.00 3.53 0.00 0.00 57.97 61.47 1w01 h PHE 56 Cb 0.20 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1w01 h PHE 56 CO 0.02 0.60 -0.72 0.74 -2.23 0.00 0.00 178.31 176.71 1w01 h PHE 57 N 0.45 0.55 0.00 0.41 -1.00 -0.92 -1.76 116.94 114.68 1w01 h PHE 57 Ca 0.12 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.62 1w01 h PHE 57 Cb 0.28 -0.09 -0.01 0.00 3.61 0.00 0.00 35.95 39.75 1w01 h PHE 57 CO 0.01 0.99 -0.19 0.00 -1.61 0.00 0.00 178.31 177.51 1w01 h ARG 58 N 0.28 0.00 0.13 1.51 3.08 -0.96 0.20 114.38 118.62 1w01 h ARG 58 Ca -0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.85 1w01 h ARG 58 Cb 1.29 0.00 0.02 0.00 0.08 0.00 0.00 29.97 31.36 1w01 h ARG 58 CO 0.12 0.19 -0.76 0.37 -1.07 0.00 0.00 179.97 178.83 1w01 h GLN 59 N 0.00 0.28 0.05 0.04 4.15 -1.31 -2.88 115.11 115.43 1w01 h GLN 59 Ca -0.00 -0.48 -0.16 0.00 0.77 0.00 0.00 58.65 58.78 1w01 h GLN 59 Cb 0.35 0.18 0.02 0.00 0.21 0.00 0.00 27.48 28.23 1w01 h GLN 59 CO 0.03 1.23 -0.66 0.78 -1.93 0.00 0.00 178.83 178.27 1w01 h GLY 60 N -0.42 0.42 -2.94 2.39 0.00 -1.05 -3.29 103.07 98.17 1w01 h GLY 60 Ca -0.13 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.38 1w01 h GLY 60 CO 0.14 0.72 0.00 1.04 0.00 0.00 0.00 176.54 178.44 1w01 n LEU 61 N -4.19 4.51 -4.64 3.11 4.77 0.67 -4.70 117.00 116.53 1w01 n LEU 61 Ca -0.11 -2.28 -0.43 0.00 -0.03 0.00 0.00 56.01 53.16 1w01 n LEU 61 Cb 0.72 -0.56 -0.02 0.00 -2.33 0.00 0.00 43.42 41.22 1w01 n LEU 61 CO 0.47 0.78 0.92 -0.83 -1.33 0.00 0.00 177.39 177.40 1w01 s GLY 62 N -0.87 1.59 0.00 -0.72 0.00 -1.09 -3.90 107.32 102.33 1w01 s GLY 62 Ca 0.49 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.16 1w01 s GLY 62 CO 0.24 2.21 0.00 0.61 0.00 0.00 0.00 173.10 176.16 1w01 n GLY 63 N 3.80 0.00 0.23 0.20 0.00 -1.26 -4.77 105.19 103.39 1w01 n GLY 63 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 1w01 n GLY 63 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1w01 h GLY 64 N 0.00 0.88 -4.67 -0.02 0.00 -1.84 -3.49 103.07 93.92 1w01 h GLY 64 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 46.22 1w01 h GLY 64 CO 0.00 0.99 -0.45 0.28 0.00 0.00 0.00 176.54 177.36 1w01 n LYS 65 N -3.97 -1.96 -4.35 4.80 4.76 -1.26 -4.88 118.16 111.30 1w01 n LYS 65 Ca -0.05 1.82 -0.28 0.00 -2.87 0.00 0.00 58.31 56.93 1w01 n LYS 65 Cb 0.67 -4.55 -0.11 0.00 -1.84 0.00 0.00 35.03 29.20 1w01 n LYS 65 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1w01 s VAL 66 N -1.99 2.67 -0.04 -0.18 1.01 -1.26 -4.75 120.40 115.86 1w01 s VAL 66 Ca 0.15 -1.74 0.04 0.00 0.00 0.00 0.00 61.98 60.43 1w01 s VAL 66 Cb -0.04 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 1w01 s VAL 66 CO 0.58 -0.01 -0.16 -0.13 0.00 0.00 0.00 175.10 175.37 1w01 s ARG 67 N -2.44 2.43 -0.03 2.72 0.52 -0.34 -4.73 118.95 117.07 1w01 s ARG 67 Ca 0.20 -0.74 -0.03 0.00 -0.52 0.00 0.00 55.73 54.63 1w01 s ARG 67 Cb -0.09 -2.33 0.01 0.00 0.52 0.00 0.00 34.95 33.06 1w01 s ARG 67 CO 0.10 0.61 0.09 0.00 0.02 0.00 0.00 175.30 176.13 1w01 s ALA 68 N -0.73 -0.22 -0.07 2.13 0.00 -1.26 -0.58 121.76 121.03 1w01 s ALA 68 Ca 0.12 0.24 -0.16 0.00 0.00 0.00 0.00 51.96 52.16 1w01 s ALA 68 Cb -0.11 -0.14 0.03 0.00 0.00 0.00 0.00 23.12 22.91 1w01 s ALA 68 CO 0.01 -0.05 0.37 0.00 0.00 0.00 0.00 175.76 176.09 1w01 s LEU 70 N -0.71 4.43 -0.09 0.00 1.43 -1.26 -1.41 118.68 121.06 1w01 s LEU 70 Ca -0.08 2.57 0.12 0.00 -1.03 0.00 0.00 54.13 55.71 1w01 s LEU 70 Cb -0.04 -3.69 0.26 0.00 0.03 0.00 0.00 46.19 42.76 1w01 s LEU 70 CO 0.03 -0.48 1.18 0.35 0.23 0.00 0.00 176.35 177.66 1w01 n THR 71 N 0.79 1.60 0.00 5.49 -2.24 -0.69 -4.87 114.28 114.36 1w01 n THR 71 Ca 0.00 -1.67 0.00 0.00 -2.27 0.00 0.00 64.05 60.11 1w01 n THR 71 Cb 0.43 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 1w01 n THR 71 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1w01 n GLY 72 N -0.72 0.97 3.73 3.38 0.00 -1.25 -4.97 105.19 106.32 1w01 n GLY 72 Ca 0.12 -0.77 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1w01 n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1w01 s PRO 73 N -2.00 2.25 -0.02 1.61 0.04 -1.26 -4.57 135.00 131.05 1w01 s PRO 73 Ca 0.00 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.43 1w01 s PRO 73 Cb 0.00 -1.85 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1w01 s PRO 73 CO 0.00 -1.74 1.01 0.08 0.04 0.00 0.00 177.00 176.39 1w01 s VAL 74 N -2.05 4.77 -0.12 -0.36 1.01 -1.26 -4.59 120.40 117.80 1w01 s VAL 74 Ca 0.73 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 64.55 1w01 s VAL 74 Cb -0.28 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 31.78 1w01 s VAL 74 CO 0.45 0.12 0.39 -0.13 0.00 0.00 0.00 175.10 175.92 1w01 s ARG 75 N 1.24 4.24 0.03 2.72 3.00 0.54 -4.93 118.95 125.80 1w01 s ARG 75 Ca 0.52 0.29 0.03 0.00 0.00 0.00 0.00 55.73 56.57 1w01 s ARG 75 Cb -0.21 -3.40 -0.02 0.00 0.00 0.00 0.00 34.95 31.32 1w01 s ARG 75 CO 0.26 0.26 -0.09 0.00 0.00 0.00 0.00 175.30 175.73 1w01 s ALA 76 N 0.33 0.73 0.08 2.13 0.00 -1.26 -0.46 121.76 123.31 1w01 s ALA 76 Ca 0.22 -0.62 0.01 0.00 0.00 0.00 0.00 51.96 51.56 1w01 s ALA 76 Cb -0.14 -0.08 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1w01 s ALA 76 CO 0.08 0.10 0.09 0.43 0.00 0.00 0.00 175.76 176.45 1w01 n SER 77 N 2.06 0.88 -1.20 0.00 7.64 -0.44 -4.96 113.62 117.61 1w01 n SER 77 Ca -0.18 -1.26 0.11 0.00 1.01 0.00 0.00 58.87 58.54 1w01 n SER 77 Cb 0.56 -0.03 0.26 0.00 -1.01 0.00 0.00 64.21 63.99 1w01 n SER 77 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1w01 n HIS 78 N -0.90 0.73 -2.08 1.43 8.25 -1.26 -3.97 115.22 117.42 1w01 n HIS 78 Ca 0.01 -0.40 -0.25 0.00 -0.26 0.00 0.00 57.72 56.82 1w01 n HIS 78 Cb 0.09 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.22 1w01 n HIS 78 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 1w01 n ASN 79 N 1.47 5.00 -1.73 0.41 2.04 -1.26 -4.94 115.26 116.26 1w01 n ASN 79 Ca 0.21 -3.75 -0.17 0.00 -0.44 0.00 0.00 54.58 50.43 1w01 n ASN 79 Cb 0.59 -0.39 -0.03 0.00 -2.53 0.00 0.00 39.78 37.42 1w01 n ASN 79 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1w01 n GLY 80 N -0.67 0.32 3.38 4.83 0.00 -1.25 -4.84 105.19 106.96 1w01 n GLY 80 Ca 0.44 -0.19 -0.23 0.00 0.00 0.00 0.00 46.02 46.05 1w01 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w01 s GLY 82 N -2.98 -0.38 -0.03 0.00 0.00 -0.22 -1.32 107.32 102.39 1w01 s GLY 82 Ca 0.21 0.30 -0.06 0.00 0.00 0.00 0.00 44.72 45.17 1w01 s GLY 82 CO 0.09 0.10 0.15 0.00 0.00 0.00 0.00 173.10 173.43 1w01 s ALA 83 N -3.61 -0.36 0.01 3.20 0.00 0.39 -0.68 121.76 120.72 1w01 s ALA 83 Ca 0.06 0.15 -0.13 0.00 0.00 0.00 0.00 51.96 52.04 1w01 s ALA 83 Cb -0.02 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1w01 s ALA 83 CO -0.04 -0.14 0.27 0.00 0.00 0.00 0.00 175.76 175.84 1w01 s MET 84 N -0.66 0.69 -0.13 0.00 0.23 -0.49 -0.33 119.30 118.61 1w01 s MET 84 Ca -0.07 -0.38 -0.05 0.00 -1.03 0.00 0.00 55.69 54.15 1w01 s MET 84 Cb -0.04 0.30 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1w01 s MET 84 CO 0.01 -0.20 0.06 -1.25 -2.03 0.00 0.00 175.02 171.61 1w01 s PRO 85 N -1.90 3.49 0.21 3.16 0.04 -1.26 -1.32 135.00 137.42 1w01 s PRO 85 Ca -0.10 -0.30 -0.14 0.00 0.04 0.00 0.00 61.00 60.50 1w01 s PRO 85 Cb -0.03 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.45 1w01 s PRO 85 CO 0.00 0.57 0.46 -0.59 0.04 0.00 0.00 177.00 177.48 1w01 s PHE 86 N -0.46 0.16 -0.03 0.56 -0.12 -0.31 -1.71 117.98 116.07 1w01 s PHE 86 Ca 0.10 -0.52 0.06 0.00 -0.05 0.00 0.00 56.93 56.53 1w01 s PHE 86 Cb -0.12 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.49 1w01 s PHE 86 CO 0.02 -0.91 -0.22 0.50 -0.05 0.00 0.00 175.22 174.56 1w01 s ARG 87 N -3.94 1.87 -0.18 1.99 3.52 -0.50 -1.03 118.95 120.67 1w01 s ARG 87 Ca 0.15 -0.78 -0.02 0.00 -0.13 0.00 0.00 55.73 54.96 1w01 s ARG 87 Cb -0.00 -1.75 -0.01 0.00 -1.56 0.00 0.00 34.95 31.63 1w01 s ARG 87 CO 0.02 0.43 -0.09 0.08 -0.81 0.00 0.00 175.30 174.93 1w01 s VAL 88 N -0.40 3.10 0.00 7.11 1.01 0.57 -2.15 120.40 129.64 1w01 s VAL 88 Ca 0.05 -0.61 0.08 0.00 0.00 0.00 0.00 61.98 61.51 1w01 s VAL 88 Cb -0.09 -2.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.90 1w01 s VAL 88 CO 0.00 0.47 -0.25 -1.61 0.00 0.00 0.00 175.10 173.71 1w01 s GLU 89 N 1.07 1.91 0.06 2.72 2.02 0.26 -0.34 118.70 126.39 1w01 s GLU 89 Ca 0.00 -0.96 0.01 0.00 0.02 0.00 0.00 54.97 54.04 1w01 s GLU 89 Cb -0.15 -1.93 -0.00 0.00 0.10 0.00 0.00 34.13 32.15 1w01 s GLU 89 CO -0.02 0.52 0.05 0.00 0.02 0.00 0.00 175.26 175.83 1w01 n MET 90 N 2.22 0.08 0.07 1.61 0.00 -0.45 -1.20 117.12 119.44 1w01 n MET 90 Ca -0.16 -0.56 0.00 0.00 0.00 0.00 0.00 57.70 56.97 1w01 n MET 90 Cb 0.52 0.47 0.00 0.00 0.00 0.00 0.00 33.22 34.21 1w01 n MET 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1w01 n VAL 91 N -0.11 0.00 0.00 3.17 0.31 -1.26 -2.06 118.33 118.38 1w01 n VAL 91 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 1w01 n VAL 91 Cb 0.10 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.58 1w01 n VAL 91 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 1w01 n TRP 92 N -2.95 0.00 0.00 3.52 5.03 -1.26 -2.75 117.44 119.03 1w01 n TRP 92 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 1w01 n TRP 92 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 1w01 n TRP 92 CO 0.00 0.00 0.00 -1.71 -0.03 0.00 0.00 177.69 175.95 1w01 n ASN 93 N 0.00 0.00 0.00 -0.99 4.05 -1.26 -4.93 115.26 112.13 1w01 n ASN 93 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1w01 n ASN 93 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 1w01 n ASN 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1w01 n GLY 94 N 0.00 2.84 3.47 8.20 0.00 -1.11 -4.98 105.19 113.62 1w01 n GLY 94 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1w01 n GLY 94 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1w01 s GLN 95 N -0.11 3.70 -0.03 1.61 0.74 -1.25 -5.06 119.66 119.27 1w01 s GLN 95 Ca 0.00 -0.46 -0.36 0.00 0.05 0.00 0.00 55.36 54.59 1w01 s GLN 95 Cb 0.00 -3.33 -0.14 0.00 1.10 0.00 0.00 33.01 30.63 1w01 s GLN 95 CO 0.00 -0.14 1.63 -2.30 -0.55 0.00 0.00 175.29 173.93 1w01 n PRO 96 N 4.80 1.66 -4.96 1.67 -0.02 -1.26 -4.59 135.00 132.29 1w01 n PRO 96 Ca -0.16 0.60 -0.28 0.00 -2.02 0.00 0.00 63.50 61.64 1w01 n PRO 96 Cb 0.52 -2.34 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 1w01 n PRO 96 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1w01 s ALA 98 N 0.20 2.47 -0.05 0.00 0.00 -1.26 -1.34 121.76 121.79 1w01 s ALA 98 Ca -0.10 -1.55 -0.02 0.00 0.00 0.00 0.00 51.96 50.29 1w01 s ALA 98 Cb -0.14 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.64 1w01 s ALA 98 CO 0.04 0.49 0.07 -1.17 0.00 0.00 0.00 175.76 175.19 1w01 s LEU 99 N -2.37 0.13 -0.18 0.00 0.20 0.54 -1.69 118.68 115.31 1w01 s LEU 99 Ca 0.18 0.09 -0.15 0.00 0.69 0.00 0.00 54.13 54.94 1w01 s LEU 99 Cb -0.09 -0.11 -0.04 0.00 -0.43 0.00 0.00 46.19 45.52 1w01 s LEU 99 CO 0.08 -0.25 0.34 -1.81 -0.29 0.00 0.00 176.35 174.42 1w01 s ASP 100 N 2.18 6.43 0.09 3.68 1.01 -0.99 -0.32 116.67 128.76 1w01 s ASP 100 Ca 0.05 0.50 0.03 0.00 0.71 0.00 0.00 52.55 53.84 1w01 s ASP 100 Cb -0.12 -2.21 -0.04 0.00 1.01 0.00 0.00 42.92 41.57 1w01 s ASP 100 CO -0.03 0.01 -0.09 -0.69 0.21 0.00 0.00 175.17 174.58 1w01 s VAL 101 N 0.90 0.83 -0.08 -1.27 1.01 -0.20 -4.77 120.40 116.83 1w01 s VAL 101 Ca 0.18 -1.69 0.01 0.00 0.00 0.00 0.00 61.98 60.48 1w01 s VAL 101 Cb -0.14 -1.40 0.02 0.00 0.00 0.00 0.00 36.38 34.85 1w01 s VAL 101 CO 0.06 -0.65 -0.11 -0.63 0.00 0.00 0.00 175.10 173.77 1w01 s ILE 102 N -2.74 1.14 -0.08 2.22 1.01 -1.02 -1.16 121.20 120.56 1w01 s ILE 102 Ca 0.06 -0.44 -0.00 0.00 0.00 0.00 0.00 60.65 60.27 1w01 s ILE 102 Cb -0.01 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.37 1w01 s ILE 102 CO -0.01 0.36 -0.05 -0.22 0.00 0.00 0.00 174.94 175.02 1w01 s LEU 103 N 0.97 3.23 -0.12 2.97 2.96 -0.43 -0.65 118.68 127.62 1w01 s LEU 103 Ca -0.09 -0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.83 1w01 s LEU 103 Cb -0.15 -1.72 0.01 0.00 0.50 0.00 0.00 46.19 44.83 1w01 s LEU 103 CO -0.00 0.33 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.47 1w01 s VAL 104 N -0.64 1.87 0.07 1.68 1.01 0.04 -1.39 120.40 123.04 1w01 s VAL 104 Ca 0.10 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.25 1w01 s VAL 104 Cb -0.12 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1w01 s VAL 104 CO 0.02 0.51 -0.14 -0.04 0.00 0.00 0.00 175.10 175.45 1w01 s MET 105 N 0.71 0.80 -0.11 2.72 -1.94 0.14 -1.18 119.30 120.45 1w01 s MET 105 Ca -0.11 -0.94 0.02 0.00 -1.71 0.00 0.00 55.69 52.95 1w01 s MET 105 Cb -0.16 -0.80 0.01 0.00 2.01 0.00 0.00 34.83 35.89 1w01 s MET 105 CO 0.02 0.18 -0.17 0.50 -0.01 0.00 0.00 175.02 175.53 1w01 s ARG 106 N -1.73 2.38 0.25 2.03 3.52 -0.88 -1.05 118.95 123.46 1w01 s ARG 106 Ca -0.02 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 1w01 s ARG 106 Cb -0.10 -1.97 -0.03 0.00 -1.56 0.00 0.00 34.95 31.29 1w01 s ARG 106 CO 0.02 -0.03 0.38 -0.06 -0.81 0.00 0.00 175.30 174.80 1w01 s PHE 107 N 0.88 3.46 0.58 5.12 0.40 0.12 -0.16 117.98 128.38 1w01 s PHE 107 Ca -0.08 0.02 0.09 0.00 -0.60 0.00 0.00 56.93 56.36 1w01 s PHE 107 Cb -0.15 -1.61 0.09 0.00 0.51 0.00 0.00 43.02 41.86 1w01 s PHE 107 CO -0.00 0.41 0.74 0.16 0.70 0.00 0.00 175.22 177.23 1w01 s ASP 108 N -3.97 4.96 0.00 1.36 3.84 0.61 -4.78 116.67 118.71 1w01 s ASP 108 Ca 0.35 -0.97 0.00 0.00 -0.00 0.00 0.00 52.55 51.93 1w01 s ASP 108 Cb -0.09 0.42 0.00 0.00 -1.38 0.00 0.00 42.92 41.87 1w01 s ASP 108 CO 0.30 -1.35 0.81 -1.84 -0.00 0.00 0.00 175.17 173.08 1w01 n GLU 109 N -2.19 0.00 -0.12 2.11 0.00 -1.26 -1.21 120.64 117.97 1w01 n GLU 109 Ca 0.13 0.31 0.04 0.00 0.00 0.00 0.00 57.16 57.63 1w01 n GLU 109 Cb 0.62 -1.50 0.10 0.00 0.00 0.00 0.00 31.44 30.66 1w01 n GLU 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 1w01 n HIS 110 N -1.31 0.30 -1.04 -1.84 8.25 -1.26 -2.90 115.22 115.42 1w01 n HIS 110 Ca 0.00 -0.51 -0.01 0.00 -0.26 0.00 0.00 57.72 56.94 1w01 n HIS 110 Cb 0.00 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 1w01 n HIS 110 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w01 n GLY 111 N 0.13 0.49 3.72 -1.41 0.00 -0.35 -5.02 105.19 102.75 1w01 n GLY 111 Ca 0.08 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.81 1w01 n GLY 111 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w01 s ARG 112 N -2.07 2.64 -0.15 1.61 0.52 -1.26 -4.86 118.95 115.38 1w01 s ARG 112 Ca 0.00 -0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 54.08 1w01 s ARG 112 Cb 0.00 -2.57 -0.03 0.00 0.52 0.00 0.00 34.95 32.87 1w01 s ARG 112 CO 0.00 0.53 1.42 0.42 0.02 0.00 0.00 175.30 177.69 1w01 s ILE 113 N -1.42 4.00 -0.16 1.52 1.01 -0.09 -0.28 121.20 125.79 1w01 s ILE 113 Ca 0.27 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 61.95 1w01 s ILE 113 Cb -0.11 -3.83 -0.23 0.00 0.01 0.00 0.00 42.46 38.30 1w01 s ILE 113 CO 0.20 -0.17 0.36 -0.61 0.00 0.00 0.00 174.94 174.72 1w01 h GLN 114 N 8.99 0.13 -4.10 2.79 4.15 -0.85 -0.98 115.11 125.23 1w01 h GLN 114 Ca -0.31 -0.22 -0.24 0.00 0.77 0.00 0.00 58.65 58.66 1w01 h GLN 114 Cb 1.13 0.08 -0.24 0.00 0.21 0.00 0.00 27.48 28.66 1w01 h GLN 114 CO 0.98 1.11 -0.72 0.95 -1.93 0.00 0.00 178.83 179.21 1w01 s THR 115 N -2.44 0.23 -0.02 2.39 -4.23 -1.12 -1.39 115.64 109.06 1w01 s THR 115 Ca -0.25 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1w01 s THR 115 Cb 0.05 -0.29 0.02 0.00 1.34 0.00 0.00 72.50 73.63 1w01 s THR 115 CO 0.68 -0.24 0.00 -0.32 -0.54 0.00 0.00 174.62 174.21 1w01 s MET 116 N -0.88 0.18 -0.06 3.99 1.75 -0.47 -2.07 119.30 121.75 1w01 s MET 116 Ca -0.07 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.45 1w01 s MET 116 Cb -0.06 -0.35 0.02 0.00 2.84 0.00 0.00 34.83 37.28 1w01 s MET 116 CO -0.00 -0.11 -0.07 -0.65 -0.65 0.00 0.00 175.02 173.54 1w01 s GLN 117 N 0.81 1.15 -0.21 4.11 -0.21 -0.33 -1.13 119.66 123.86 1w01 s GLN 117 Ca -0.08 -0.19 -0.04 0.00 0.02 0.00 0.00 55.36 55.07 1w01 s GLN 117 Cb -0.11 -1.13 -0.01 0.00 1.00 0.00 0.00 33.01 32.76 1w01 s GLN 117 CO -0.02 -0.11 -0.02 0.00 -2.12 0.00 0.00 175.29 173.02 1w01 s ALA 118 N 1.09 2.90 -0.21 6.09 0.00 -0.61 -0.78 121.76 130.24 1w01 s ALA 118 Ca -0.08 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 50.66 1w01 s ALA 118 Cb -0.14 -1.74 -0.05 0.00 0.00 0.00 0.00 23.12 21.20 1w01 s ALA 118 CO -0.01 -0.33 0.23 0.71 0.00 0.00 0.00 175.76 176.36 1w01 s TYR 119 N 1.31 3.37 0.00 0.00 1.51 0.18 -0.50 117.35 123.22 1w01 s TYR 119 Ca 0.04 0.39 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 1w01 s TYR 119 Cb -0.14 -2.31 0.00 0.00 -0.11 0.00 0.00 41.96 39.40 1w01 s TYR 119 CO -0.01 0.13 0.00 -2.67 -1.11 0.00 0.00 175.55 171.90 1w01 n TRP 120 N 4.02 0.00 -3.61 2.71 4.27 -1.26 -2.44 117.44 121.13 1w01 n TRP 120 Ca -0.13 0.00 -0.06 0.00 -3.89 0.00 0.00 57.50 53.42 1w01 n TRP 120 Cb 0.52 0.00 -0.00 0.00 -1.36 0.00 0.00 31.31 30.47 1w01 n TRP 120 CO 0.00 0.00 0.00 -1.13 -2.29 0.00 0.00 177.69 174.27 1w01 n SER 121 N 0.00 -0.90 0.16 -0.67 3.41 -1.26 -4.76 113.62 109.59 1w01 n SER 121 Ca 0.00 -1.87 0.17 0.00 -0.26 0.00 0.00 58.87 56.91 1w01 n SER 121 Cb 0.00 1.58 0.78 0.00 -0.26 0.00 0.00 64.21 66.31 1w01 n SER 121 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1w01 h GLU 122 N 0.00 0.00 0.00 4.33 3.07 -2.01 -0.12 114.58 119.85 1w01 h GLU 122 Ca -0.15 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1w01 h GLU 122 Cb 0.60 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1w01 h GLU 122 CO 0.20 0.00 0.00 1.33 -1.40 0.00 0.00 179.01 179.14 1w01 n VAL 123 N -3.94 1.05 0.32 3.13 0.24 -1.26 -2.24 118.33 115.63 1w01 n VAL 123 Ca 0.03 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.72 1w01 n VAL 123 Cb 0.40 -1.08 0.25 0.00 -1.47 0.00 0.00 33.84 31.94 1w01 n VAL 123 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1w01 n ASN 124 N -1.64 3.32 -4.84 -1.34 4.13 -0.06 -4.94 115.26 109.90 1w01 n ASN 124 Ca 0.03 -1.97 -0.36 0.00 1.68 0.00 0.00 54.58 53.96 1w01 n ASN 124 Cb 0.17 -0.27 -0.06 0.00 -1.54 0.00 0.00 39.78 38.07 1w01 n ASN 124 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1w01 s LEU 125 N -1.41 4.41 0.00 3.41 1.02 -0.95 -2.34 118.68 122.82 1w01 s LEU 125 Ca 0.39 1.07 0.00 0.00 0.02 0.00 0.00 54.13 55.62 1w01 s LEU 125 Cb 0.22 -3.05 0.00 0.00 0.02 0.00 0.00 46.19 43.39 1w01 s LEU 125 CO 0.31 0.18 0.00 -1.20 0.02 0.00 0.00 176.35 175.67 1w01 n SER 126 N 1.18 2.17 0.00 2.29 7.64 -0.68 -5.01 113.62 121.21 1w01 n SER 126 Ca -0.08 -0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1w01 n SER 126 Cb 0.52 0.55 0.00 0.00 -1.01 0.00 0.00 64.21 64.26 1w01 n SER 126 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55