#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.66 118.16 117.29 2wrl n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wrl n LYS 2 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 2wrl n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrl n GLY 3 N 1.29 1.51 3.49 0.72 0.00 -1.26 -3.08 105.19 107.86 2wrl n GLY 3 Ca 0.05 0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 2wrl n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wrl s ILE 4 N -1.12 0.02 0.21 -0.61 2.07 -0.34 -5.01 121.20 116.42 2wrl s ILE 4 Ca 0.00 -1.37 0.04 0.00 -1.41 0.00 0.00 60.65 57.92 2wrl s ILE 4 Cb 0.00 -2.05 -0.03 0.00 0.13 0.00 0.00 42.46 40.51 2wrl s ILE 4 CO 0.00 -0.09 0.32 -0.76 -1.91 0.00 0.00 174.94 172.50 2wrl s LEU 5 N -3.00 4.28 0.00 8.50 1.43 -1.26 -1.72 118.68 126.91 2wrl s LEU 5 Ca 0.21 0.07 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 2wrl s LEU 5 Cb 0.01 -2.83 0.05 0.00 0.03 0.00 0.00 46.19 43.46 2wrl s LEU 5 CO 0.05 -0.03 0.74 0.61 0.23 0.00 0.00 176.35 177.95 2wrl n GLY 6 N -1.10 0.93 2.74 -3.19 0.00 -0.10 -4.36 105.19 100.10 2wrl n GLY 6 Ca -0.08 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.60 2wrl n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s VAL 7 N -2.22 -0.19 -0.30 1.61 0.11 -0.11 -0.53 120.40 118.76 2wrl s VAL 7 Ca 0.16 0.27 -0.35 0.00 -2.93 0.00 0.00 61.98 59.13 2wrl s VAL 7 Cb -0.03 -0.32 -0.12 0.00 -1.53 0.00 0.00 36.38 34.39 2wrl s VAL 7 CO 0.06 0.07 2.10 1.17 -3.33 0.00 0.00 175.10 175.18 2wrl n LYS 8 N 5.31 1.26 -0.08 1.54 4.81 -0.61 -1.21 118.16 129.17 2wrl n LYS 8 Ca -0.04 0.38 -0.12 0.00 -0.87 0.00 0.00 58.31 57.65 2wrl n LYS 8 Cb 0.50 -2.47 -0.08 0.00 0.02 0.00 0.00 35.03 33.00 2wrl n LYS 8 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2wrl h VAL 9 N 6.68 0.76 0.00 3.15 -1.51 -0.48 3.68 116.25 128.52 2wrl h VAL 9 Ca -0.33 -1.75 0.00 0.00 -1.23 0.00 0.00 66.70 63.39 2wrl h VAL 9 Cb 1.31 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 32.09 2wrl h VAL 9 CO 1.00 0.26 0.00 0.61 -1.23 0.00 0.00 177.57 178.21 2wrl n GLY 10 N 1.57 -0.94 3.06 5.19 0.00 -1.23 -4.22 105.19 108.62 2wrl n GLY 10 Ca -0.16 -1.16 -0.08 0.00 0.00 0.00 0.00 46.02 44.62 2wrl n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wrl s MET 11 N -2.00 0.49 0.18 1.61 0.23 -1.26 -0.44 119.30 118.11 2wrl s MET 11 Ca 0.00 -0.87 -0.05 0.00 -1.03 0.00 0.00 55.69 53.73 2wrl s MET 11 Cb 0.00 0.18 0.02 0.00 -1.53 0.00 0.00 34.83 33.50 2wrl s MET 11 CO 0.00 -0.10 0.33 0.25 -2.03 0.00 0.00 175.02 173.47 2wrl n THR 12 N 0.83 0.00 -4.56 3.16 -2.24 0.18 -4.96 114.28 106.69 2wrl n THR 12 Ca -0.19 -0.55 -0.26 0.00 -2.27 0.00 0.00 64.05 60.77 2wrl n THR 12 Cb 0.58 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 69.17 2wrl n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrl s ARG 13 N -2.13 1.85 0.00 -0.78 1.70 -1.26 0.26 118.95 118.59 2wrl s ARG 13 Ca 0.09 -1.97 0.00 0.00 -0.47 0.00 0.00 55.73 53.38 2wrl s ARG 13 Cb -0.02 -1.68 0.00 0.00 -0.57 0.00 0.00 34.95 32.68 2wrl s ARG 13 CO 0.07 0.10 0.00 0.44 -1.08 0.00 0.00 175.30 174.82 2wrl n ILE 14 N -0.83 0.00 -3.49 4.99 -5.35 0.95 -4.90 119.36 110.74 2wrl n ILE 14 Ca -0.05 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.18 2wrl n ILE 14 Cb 0.64 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 38.41 2wrl n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wrl s PHE 15 N 0.92 0.12 -0.19 4.28 0.08 -1.26 -2.74 117.98 119.19 2wrl s PHE 15 Ca 0.00 -0.76 -0.15 0.00 0.12 0.00 0.00 56.93 56.14 2wrl s PHE 15 Cb 0.00 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.65 2wrl s PHE 15 CO 0.00 -0.86 0.37 1.03 -0.10 0.00 0.00 175.22 175.66 2wrl s ARG 16 N 2.04 4.19 2.08 0.44 0.52 -0.77 -4.79 118.95 122.67 2wrl s ARG 16 Ca 0.10 0.17 0.00 0.00 -0.52 0.00 0.00 55.73 55.48 2wrl s ARG 16 Cb -0.16 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2wrl s ARG 16 CO -0.31 0.02 0.00 -3.47 0.02 0.00 0.00 175.30 171.57 2wrl n ASP 17 N 4.27 0.00 0.00 0.23 4.64 -1.26 -1.06 116.55 123.37 2wrl n ASP 17 Ca -0.09 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.32 2wrl n ASP 17 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 2wrl n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2wrl n ASP 18 N 3.28 0.00 -4.86 1.67 8.00 -1.26 -5.11 116.55 118.27 2wrl n ASP 18 Ca 0.00 -1.00 -0.24 0.00 0.71 0.00 0.00 54.79 54.26 2wrl n ASP 18 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2wrl n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrl s ARG 19 N 0.00 2.34 -0.27 -1.24 1.70 -0.22 -5.12 118.95 116.14 2wrl s ARG 19 Ca 0.00 -1.83 -0.06 0.00 -0.47 0.00 0.00 55.73 53.37 2wrl s ARG 19 Cb 0.00 -2.16 -0.01 0.00 -0.57 0.00 0.00 34.95 32.21 2wrl s ARG 19 CO 0.00 -0.38 0.05 0.00 -1.08 0.00 0.00 175.30 173.90 2wrl s ALA 20 N -2.64 3.05 -0.17 7.88 0.00 -1.26 -1.84 121.76 126.78 2wrl s ALA 20 Ca 0.40 -1.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.02 2wrl s ALA 20 Cb -0.01 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.04 2wrl s ALA 20 CO 0.24 -0.69 -0.02 0.14 0.00 0.00 0.00 175.76 175.43 2wrl s VAL 21 N 1.53 4.00 0.44 0.00 -7.23 -1.11 -4.90 120.40 113.14 2wrl s VAL 21 Ca 0.04 -0.32 -0.21 0.00 -1.81 0.00 0.00 61.98 59.69 2wrl s VAL 21 Cb -0.16 -2.77 -0.11 0.00 0.56 0.00 0.00 36.38 33.91 2wrl s VAL 21 CO 0.02 0.48 0.96 -2.16 -0.31 0.00 0.00 175.10 174.09 2wrl s PRO 22 N 0.46 4.19 -0.02 4.82 0.04 -1.26 -0.03 135.00 143.20 2wrl s PRO 22 Ca -0.02 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 2wrl s PRO 22 Cb -0.14 -2.17 0.03 0.00 0.04 0.00 0.00 34.50 32.26 2wrl s PRO 22 CO 0.02 -0.07 0.38 0.14 0.04 0.00 0.00 177.00 177.51 2wrl s VAL 23 N -2.16 0.05 0.01 -0.36 -7.23 0.72 -2.94 120.40 108.49 2wrl s VAL 23 Ca 0.62 -0.39 0.05 0.00 -1.81 0.00 0.00 61.98 60.46 2wrl s VAL 23 Cb -0.10 -0.68 -0.03 0.00 0.56 0.00 0.00 36.38 36.13 2wrl s VAL 23 CO 0.14 -0.21 -0.15 0.28 -0.31 0.00 0.00 175.10 174.84 2wrl s THR 24 N -1.28 2.97 0.05 5.32 -1.32 -0.46 0.49 115.64 121.40 2wrl s THR 24 Ca -0.13 -0.98 0.05 0.00 -1.21 0.00 0.00 61.69 59.42 2wrl s THR 24 Cb -0.04 -2.22 -0.04 0.00 -1.51 0.00 0.00 72.50 68.69 2wrl s THR 24 CO 0.05 0.43 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.13 2wrl s VAL 25 N -0.87 3.55 -0.01 5.08 1.01 0.41 -1.85 120.40 127.73 2wrl s VAL 25 Ca 0.14 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2wrl s VAL 25 Cb -0.11 -2.59 0.00 0.00 0.00 0.00 0.00 36.38 33.68 2wrl s VAL 25 CO 0.04 0.28 -0.03 0.27 0.00 0.00 0.00 175.10 175.65 2wrl s ILE 26 N -1.09 0.28 -0.28 2.22 -4.36 -0.94 0.32 121.20 117.35 2wrl s ILE 26 Ca 0.19 -0.13 -0.23 0.00 -0.26 0.00 0.00 60.65 60.22 2wrl s ILE 26 Cb -0.11 -0.25 -0.00 0.00 1.25 0.00 0.00 42.46 43.34 2wrl s ILE 26 CO 0.10 0.09 0.77 -0.22 0.24 0.00 0.00 174.94 175.93 2wrl s LEU 27 N 0.05 4.08 -0.78 0.37 2.96 -0.35 -0.94 118.68 124.07 2wrl s LEU 27 Ca -0.00 0.79 -0.02 0.00 -0.22 0.00 0.00 54.13 54.68 2wrl s LEU 27 Cb -0.03 -3.07 0.39 0.00 0.50 0.00 0.00 46.19 43.98 2wrl s LEU 27 CO -0.00 -0.54 2.02 0.00 -1.32 0.00 0.00 176.35 176.51 2wrl n ALA 28 N 6.05 6.45 -0.99 5.97 0.00 -0.69 -0.94 120.51 136.37 2wrl n ALA 28 Ca 0.04 -3.88 -0.34 0.00 0.00 0.00 0.00 53.44 49.25 2wrl n ALA 28 Cb 0.48 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2wrl n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 29 N -0.68 -1.15 3.41 0.00 0.00 -1.26 -4.53 105.19 100.98 2wrl n GLY 29 Ca 0.57 0.26 -0.58 0.00 0.00 0.00 0.00 46.02 46.27 2wrl n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wrl n PRO 30 N 0.73 0.41 -3.42 1.61 -0.02 -1.26 -4.86 135.00 128.19 2wrl n PRO 30 Ca 0.13 0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 61.30 2wrl n PRO 30 Cb 0.17 -1.82 -0.10 0.00 -0.02 0.00 0.00 33.50 31.73 2wrl n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrl s PRO 32 N 1.84 4.14 0.59 0.00 0.02 -1.23 0.19 135.00 140.55 2wrl s PRO 32 Ca 0.08 2.06 -0.20 0.00 0.02 0.00 0.00 61.00 62.96 2wrl s PRO 32 Cb -0.18 -3.96 -0.03 0.00 0.02 0.00 0.00 34.50 30.35 2wrl s PRO 32 CO 0.11 -0.88 1.26 0.54 -0.33 0.00 0.00 177.00 177.71 2wrl s VAL 33 N 4.10 2.36 0.00 3.83 0.11 -1.26 -2.05 120.40 127.49 2wrl s VAL 33 Ca 0.71 0.24 0.07 0.00 -2.93 0.00 0.00 61.98 60.06 2wrl s VAL 33 Cb -0.31 -3.10 0.11 0.00 -1.53 0.00 0.00 36.38 31.55 2wrl s VAL 33 CO 0.27 -0.04 0.93 0.55 -3.33 0.00 0.00 175.10 173.48 2wrl n VAL 34 N -1.47 0.00 0.00 2.04 3.14 -0.70 -4.66 118.33 116.67 2wrl n VAL 34 Ca 0.13 -0.25 0.00 0.00 -2.96 0.00 0.00 64.34 61.26 2wrl n VAL 34 Cb 0.48 0.51 0.00 0.00 -1.06 0.00 0.00 33.84 33.77 2wrl n VAL 34 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2wrl n GLN 35 N 0.13 0.00 -1.93 1.45 7.27 -1.26 -4.92 117.38 118.12 2wrl n GLN 35 Ca -0.08 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 56.89 2wrl n GLN 35 Cb 0.77 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.45 2wrl n GLN 35 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wrl n ARG 36 N -0.49 0.79 -3.30 3.69 3.00 -1.26 -2.82 116.66 116.27 2wrl n ARG 36 Ca 0.00 -1.48 -0.25 0.00 -0.01 0.00 0.00 57.85 56.11 2wrl n ARG 36 Cb 0.00 -0.12 -0.09 0.00 0.00 0.00 0.00 32.46 32.25 2wrl n ARG 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wrl n ARG 37 N -1.61 0.37 -1.46 5.56 5.12 -0.65 -4.96 116.66 119.03 2wrl n ARG 37 Ca 0.08 -3.14 -0.50 0.00 -1.93 0.00 0.00 57.85 52.36 2wrl n ARG 37 Cb 0.29 -1.51 -0.04 0.00 -1.16 0.00 0.00 32.46 30.03 2wrl n ARG 37 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2wrl n THR 38 N 2.36 1.50 1.01 0.55 -1.04 -1.26 -0.23 114.28 117.18 2wrl n THR 38 Ca 0.27 -0.38 0.09 0.00 -2.04 0.00 0.00 64.05 61.99 2wrl n THR 38 Cb 0.50 -0.18 0.49 0.00 -1.82 0.00 0.00 70.33 69.32 2wrl n THR 38 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wrl n PRO 39 N 1.14 0.47 -0.07 -2.82 -0.04 -1.26 -0.95 135.00 131.47 2wrl n PRO 39 Ca 0.17 0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.56 2wrl n PRO 39 Cb 0.22 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.15 2wrl n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrl n GLU 40 N -1.07 0.41 -0.14 0.54 1.02 -1.26 -3.07 120.64 117.06 2wrl n GLU 40 Ca 0.12 0.17 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 2wrl n GLU 40 Cb 0.08 -1.21 0.12 0.00 -0.02 0.00 0.00 31.44 30.41 2wrl n GLU 40 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2wrl n LYS 41 N -4.15 1.65 0.00 3.49 2.85 -1.20 -3.81 118.16 116.98 2wrl n LYS 41 Ca -0.18 -0.98 0.00 0.00 -1.05 0.00 0.00 58.31 56.09 2wrl n LYS 41 Cb 0.49 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.65 2wrl n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2wrl n ASP 42 N 0.30 0.00 -0.32 -5.58 8.00 -0.12 -4.87 116.55 113.96 2wrl n ASP 42 Ca 0.09 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 2wrl n ASP 42 Cb 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2wrl n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wrl n GLY 43 N 0.11 0.70 0.00 0.44 0.00 -0.76 -4.87 105.19 100.81 2wrl n GLY 43 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2wrl n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wrl n TYR 44 N -2.84 0.00 -0.96 1.61 4.11 -1.23 -4.90 117.16 112.95 2wrl n TYR 44 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 2wrl n TYR 44 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.50 2wrl n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wrl n THR 45 N 0.00 -3.55 0.00 -3.48 -1.04 0.69 -4.73 114.28 102.17 2wrl n THR 45 Ca 0.00 1.42 0.00 0.00 -2.04 0.00 0.00 64.05 63.43 2wrl n THR 45 Cb 0.00 -2.06 0.00 0.00 -1.82 0.00 0.00 70.33 66.45 2wrl n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wrl n ALA 46 N -0.63 0.00 -3.14 2.41 0.00 -1.24 -3.86 120.51 114.04 2wrl n ALA 46 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2wrl n ALA 46 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2wrl n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrl n VAL 47 N -1.13 0.00 -3.16 0.00 0.31 -1.19 -1.63 118.33 111.53 2wrl n VAL 47 Ca 0.00 -0.43 0.04 0.00 -0.01 0.00 0.00 64.34 63.94 2wrl n VAL 47 Cb 0.00 -0.78 -0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2wrl n VAL 47 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2wrl s GLN 48 N -2.54 0.58 0.18 5.55 0.74 -1.13 -3.31 119.66 119.73 2wrl s GLN 48 Ca 0.12 0.38 -0.04 0.00 0.05 0.00 0.00 55.36 55.86 2wrl s GLN 48 Cb -0.01 0.21 -0.05 0.00 1.10 0.00 0.00 33.01 34.26 2wrl s GLN 48 CO 0.07 -1.03 0.41 -0.51 -0.55 0.00 0.00 175.29 173.69 2wrl s LEU 49 N 2.66 4.23 0.25 3.68 2.01 -0.74 -1.73 118.68 129.05 2wrl s LEU 49 Ca 0.12 0.60 0.09 0.00 0.01 0.00 0.00 54.13 54.94 2wrl s LEU 49 Cb -0.08 -3.34 -0.04 0.00 0.01 0.00 0.00 46.19 42.73 2wrl s LEU 49 CO -0.22 -0.00 0.04 -0.83 1.01 0.00 0.00 176.35 176.34 2wrl s GLY 50 N -2.64 1.61 0.00 -3.19 0.00 -0.87 -1.97 107.32 100.26 2wrl s GLY 50 Ca 0.41 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.56 2wrl s GLY 50 CO 0.26 -1.63 0.00 0.33 0.00 0.00 0.00 173.10 172.06 2wrl n PHE 51 N -0.87 0.00 -1.38 1.90 -0.00 -1.16 -3.53 117.46 112.41 2wrl n PHE 51 Ca -0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 57.45 57.12 2wrl n PHE 51 Cb 0.58 0.00 -0.19 0.00 -0.00 0.00 0.00 39.48 39.87 2wrl n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2wrl n LEU 52 N 0.00 -0.88 0.00 -2.13 4.32 -1.26 -4.60 117.00 112.45 2wrl n LEU 52 Ca 0.00 -0.31 0.00 0.00 -0.02 0.00 0.00 56.01 55.68 2wrl n LEU 52 Cb 0.00 -0.60 0.00 0.00 -1.62 0.00 0.00 43.42 41.20 2wrl n LEU 52 CO 0.00 -1.13 0.11 -2.65 -1.22 0.00 0.00 177.39 172.50 2wrl n PRO 53 N 5.89 0.00 0.00 3.23 -0.02 -1.26 0.10 135.00 142.94 2wrl n PRO 53 Ca 0.62 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 2wrl n PRO 53 Cb 0.10 -0.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.94 2wrl n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrl n GLN 54 N -0.46 0.00 0.00 -0.52 10.64 -1.26 -3.86 117.38 121.91 2wrl n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wrl n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2wrl n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wrl n ASN 55 N 0.00 0.00 -2.26 2.61 5.03 -1.26 -3.58 115.26 115.79 2wrl n ASN 55 Ca 0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 2wrl n ASN 55 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2wrl n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2wrl n PRO 56 N 0.00 0.37 -2.31 3.52 -0.02 -1.26 -4.61 135.00 130.68 2wrl n PRO 56 Ca 0.00 -0.16 -0.00 0.00 -2.02 0.00 0.00 63.50 61.32 2wrl n PRO 56 Cb 0.00 -1.55 -0.00 0.00 -0.02 0.00 0.00 33.50 31.93 2wrl n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrl n LYS 57 N 2.63 -4.09 0.00 -0.52 3.00 -1.26 -4.97 118.16 112.95 2wrl n LYS 57 Ca 0.07 2.97 0.00 0.00 -0.00 0.00 0.00 58.31 61.35 2wrl n LYS 57 Cb 0.17 -3.86 0.00 0.00 0.00 0.00 0.00 35.03 31.35 2wrl n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wrl n ARG 58 N 1.89 0.00 -0.08 1.64 1.74 -1.26 -4.93 116.66 115.66 2wrl n ARG 58 Ca -0.02 -0.09 0.23 0.00 -0.77 0.00 0.00 57.85 57.19 2wrl n ARG 58 Cb 0.04 -0.24 0.68 0.00 -1.02 0.00 0.00 32.46 31.91 2wrl n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wrl h VAL 59 N 1.75 0.68 0.00 1.55 3.04 -1.93 -3.47 116.25 117.87 2wrl h VAL 59 Ca 0.00 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2wrl h VAL 59 Cb 0.69 0.62 0.00 0.00 -2.01 0.00 0.00 31.29 30.59 2wrl h VAL 59 CO 0.00 0.01 0.00 -0.46 -1.01 0.00 0.00 177.57 176.11 2wrl n ASN 60 N -4.35 0.00 -0.13 3.17 0.23 -1.26 -3.41 115.26 109.50 2wrl n ASN 60 Ca 0.13 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.15 2wrl n ASN 60 Cb 0.72 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.39 2wrl n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wrl n ARG 61 N 0.94 -0.14 -2.21 -3.83 0.63 -1.26 -2.50 116.66 108.30 2wrl n ARG 61 Ca 0.00 0.62 -0.43 0.00 -0.92 0.00 0.00 57.85 57.12 2wrl n ARG 61 Cb 0.00 -0.91 0.00 0.00 0.45 0.00 0.00 32.46 32.00 2wrl n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2wrl n PRO 62 N -3.90 3.12 0.22 -0.14 -0.04 -1.22 -4.57 135.00 128.47 2wrl n PRO 62 Ca 0.01 -3.07 0.10 0.00 -0.04 0.00 0.00 63.50 60.49 2wrl n PRO 62 Cb 0.08 -3.28 0.39 0.00 -0.04 0.00 0.00 33.50 30.65 2wrl n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wrl h LEU 63 N 10.49 0.00 -2.96 1.53 6.46 -1.68 -3.47 115.31 125.67 2wrl h LEU 63 Ca 0.48 0.00 -0.07 0.00 -0.12 0.00 0.00 57.88 58.17 2wrl h LEU 63 Cb 0.73 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.66 2wrl h LEU 63 CO 1.65 0.21 -0.14 1.17 -0.62 0.00 0.00 178.44 180.71 2wrl n LYS 64 N -3.30 -0.63 -0.09 1.25 4.81 -1.26 -4.62 118.16 114.32 2wrl n LYS 64 Ca 0.01 -0.22 0.03 0.00 -0.87 0.00 0.00 58.31 57.26 2wrl n LYS 64 Cb 0.47 0.16 0.07 0.00 0.02 0.00 0.00 35.03 35.76 2wrl n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wrl n GLY 65 N -0.90 -0.14 0.00 3.14 0.00 -1.26 -4.36 105.19 101.68 2wrl n GLY 65 Ca -0.03 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2wrl n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wrl n HIS 66 N -0.01 0.00 -3.80 1.61 -0.00 -1.26 -4.33 115.22 107.43 2wrl n HIS 66 Ca 0.06 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 2wrl n HIS 66 Cb 0.15 -0.03 -0.11 0.00 -0.00 0.00 0.00 29.99 30.00 2wrl n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wrl s PHE 67 N -1.88 -0.20 0.00 1.57 5.99 -1.26 -5.08 117.98 117.12 2wrl s PHE 67 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 56.93 57.39 2wrl s PHE 67 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 43.02 43.09 2wrl s PHE 67 CO 0.00 -0.17 0.62 0.00 -0.00 0.00 0.00 175.22 175.67 2wrl n ALA 68 N 2.57 0.00 0.00 11.12 0.00 -1.26 0.20 120.51 133.14 2wrl n ALA 68 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2wrl n ALA 68 Cb 0.58 0.31 0.00 0.00 0.00 0.00 0.00 19.45 20.34 2wrl n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wrl n LYS 69 N -2.31 0.00 -0.22 0.00 4.01 -1.26 -3.29 118.16 115.09 2wrl n LYS 69 Ca 0.00 0.12 0.21 0.00 -0.51 0.00 0.00 58.31 58.13 2wrl n LYS 69 Cb 0.00 -1.71 0.37 0.00 -0.51 0.00 0.00 35.03 33.18 2wrl n LYS 69 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wrl n ALA 70 N -1.01 0.69 -0.44 7.82 0.00 0.13 -4.61 120.51 123.09 2wrl n ALA 70 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 53.44 54.01 2wrl n ALA 70 Cb 0.21 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2wrl n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 71 N -1.21 0.00 3.17 0.00 0.00 -1.21 -1.83 105.19 104.12 2wrl n GLY 71 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.25 2wrl n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrl n VAL 72 N -0.07 -2.02 -0.85 1.61 0.31 -1.26 -4.78 118.33 111.28 2wrl n VAL 72 Ca 0.00 0.46 -0.28 0.00 -0.01 0.00 0.00 64.34 64.52 2wrl n VAL 72 Cb 0.00 -2.99 0.02 0.00 -0.91 0.00 0.00 33.84 29.95 2wrl n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wrl n GLU 73 N 1.42 0.00 -2.79 5.55 4.71 -0.76 -4.75 120.64 124.01 2wrl n GLU 73 Ca -0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 2wrl n GLU 73 Cb 0.44 -0.74 -0.07 0.00 -1.01 0.00 0.00 31.44 30.07 2wrl n GLU 73 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2wrl s PRO 74 N -1.01 4.46 0.00 3.49 0.04 -1.25 -4.58 135.00 136.15 2wrl s PRO 74 Ca 0.37 1.26 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 2wrl s PRO 74 Cb -0.28 -2.59 -0.00 0.00 0.04 0.00 0.00 34.50 31.67 2wrl s PRO 74 CO 0.53 0.18 1.01 0.28 0.04 0.00 0.00 177.00 179.04 2wrl h VAL 75 N 2.37 0.00 -0.84 -0.36 2.07 0.65 -3.24 116.25 116.90 2wrl h VAL 75 Ca -0.48 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 66.75 2wrl h VAL 75 Cb 1.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2wrl h VAL 75 CO 0.64 0.00 0.76 -0.60 0.02 0.00 0.00 177.57 178.39 2wrl s ARG 76 N -3.04 2.50 0.00 1.57 3.52 -1.26 -4.91 118.95 117.33 2wrl s ARG 76 Ca -0.00 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.47 2wrl s ARG 76 Cb 0.00 -4.97 0.00 0.00 -1.56 0.00 0.00 34.95 28.42 2wrl s ARG 76 CO 0.01 -3.38 0.00 -0.89 -0.81 0.00 0.00 175.30 170.23 2wrl n ILE 77 N 7.86 0.00 -3.64 4.11 2.08 -1.23 -3.10 119.36 125.45 2wrl n ILE 77 Ca 0.38 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.67 2wrl n ILE 77 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 2wrl n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2wrl s LEU 78 N 0.00 -0.05 0.22 1.39 0.05 -1.26 -3.00 118.68 116.03 2wrl s LEU 78 Ca 0.00 0.06 0.04 0.00 0.05 0.00 0.00 54.13 54.28 2wrl s LEU 78 Cb 0.00 1.13 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 2wrl s LEU 78 CO 0.00 -0.05 -0.03 -0.13 -0.55 0.00 0.00 176.35 175.59 2wrl s ARG 79 N -0.97 1.32 0.75 1.48 3.00 -0.83 -4.93 118.95 118.76 2wrl s ARG 79 Ca 0.08 -1.65 -0.03 0.00 0.00 0.00 0.00 55.73 54.14 2wrl s ARG 79 Cb -0.01 -0.70 0.13 0.00 0.00 0.00 0.00 34.95 34.37 2wrl s ARG 79 CO -0.08 -0.04 1.03 -1.21 0.00 0.00 0.00 175.30 175.00 2wrl s GLU 80 N -3.82 1.57 -0.03 3.54 2.02 -1.26 -1.78 118.70 118.95 2wrl s GLU 80 Ca 0.26 -1.01 0.04 0.00 0.02 0.00 0.00 54.97 54.29 2wrl s GLU 80 Cb 0.05 -2.27 0.06 0.00 0.10 0.00 0.00 34.13 32.07 2wrl s GLU 80 CO 0.08 -1.55 0.88 -0.89 0.02 0.00 0.00 175.26 173.80 2wrl n ILE 81 N -2.94 0.62 -1.60 -1.63 2.08 -1.21 -4.91 119.36 109.77 2wrl n ILE 81 Ca 0.15 -0.70 0.00 0.00 0.56 0.00 0.00 62.75 62.75 2wrl n ILE 81 Cb 0.60 0.49 0.00 0.00 -0.75 0.00 0.00 39.64 39.99 2wrl n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2wrl n ARG 82 N -0.41 0.00 -1.13 0.38 3.00 -1.26 -4.31 116.66 112.92 2wrl n ARG 82 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.58 2wrl n ARG 82 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.87 2wrl n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wrl n ASP 83 N -3.68 0.17 0.00 6.15 10.43 -1.25 -3.76 116.55 124.61 2wrl n ASP 83 Ca 0.00 0.11 0.00 0.00 2.57 0.00 0.00 54.79 57.47 2wrl n ASP 83 Cb 0.00 -0.68 0.00 0.00 1.84 0.00 0.00 41.12 42.28 2wrl n ASP 83 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 2wrl n PHE 84 N 7.79 0.00 -3.15 1.24 -0.00 -1.26 -1.62 117.46 120.45 2wrl n PHE 84 Ca 0.50 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.98 2wrl n PHE 84 Cb 0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.50 2wrl n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2wrl s ASN 85 N 0.00 -1.40 0.00 -2.13 3.84 -1.26 -3.18 114.94 110.81 2wrl s ASN 85 Ca 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 52.86 52.98 2wrl s ASN 85 Cb 0.00 1.85 0.00 0.00 -0.55 0.00 0.00 41.25 42.55 2wrl s ASN 85 CO 0.00 -0.23 0.00 -0.81 -2.79 0.00 0.00 177.10 173.27 2wrl n PRO 86 N 5.04 2.24 -2.91 0.43 -0.04 -1.26 -4.95 135.00 133.55 2wrl n PRO 86 Ca 0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 2wrl n PRO 86 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2wrl n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wrl n GLU 87 N 0.00 3.67 -0.52 0.54 0.28 -1.26 -4.98 120.64 118.37 2wrl n GLU 87 Ca 0.00 -4.81 0.00 0.00 -0.16 0.00 0.00 57.16 52.19 2wrl n GLU 87 Cb 0.00 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.58 2wrl n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wrl n GLY 88 N -0.11 0.00 2.64 -1.84 0.00 -1.26 -4.65 105.19 99.97 2wrl n GLY 88 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 2wrl n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wrl n ASP 89 N 0.12 -1.84 -1.87 1.61 2.03 -1.26 -4.98 116.55 110.36 2wrl n ASP 89 Ca 0.00 -3.56 0.00 0.00 0.52 0.00 0.00 54.79 51.75 2wrl n ASP 89 Cb 0.00 1.49 0.00 0.00 -0.72 0.00 0.00 41.12 41.89 2wrl n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wrl n THR 90 N 0.44 -7.99 -2.93 5.18 -1.04 -1.26 -4.88 114.28 101.80 2wrl n THR 90 Ca 0.09 2.13 -0.40 0.00 -2.04 0.00 0.00 64.05 63.83 2wrl n THR 90 Cb 0.69 -3.49 -0.05 0.00 -1.82 0.00 0.00 70.33 65.67 2wrl n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wrl s VAL 91 N -0.50 4.80 0.00 12.58 1.01 0.50 -4.84 120.40 133.95 2wrl s VAL 91 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.68 2wrl s VAL 91 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 36.38 32.23 2wrl s VAL 91 CO 0.00 0.30 0.00 0.35 0.00 0.00 0.00 175.10 175.75 2wrl n THR 92 N 3.20 0.00 0.00 3.92 -2.24 -1.26 -0.59 114.28 117.31 2wrl n THR 92 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2wrl n THR 92 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 2wrl n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wrl n VAL 93 N 0.00 0.00 0.20 2.28 0.31 -1.26 -4.67 118.33 115.19 2wrl n VAL 93 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.39 2wrl n VAL 93 Cb 0.00 -0.23 0.33 0.00 -0.91 0.00 0.00 33.84 33.04 2wrl n VAL 93 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrl h GLU 94 N 0.00 0.00 -0.80 5.55 3.07 -1.98 0.33 114.58 120.75 2wrl h GLU 94 Ca 0.00 0.00 0.08 0.00 -0.50 0.00 0.00 59.36 58.94 2wrl h GLU 94 Cb 0.37 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.21 2wrl h GLU 94 CO 0.00 0.00 0.46 0.82 -1.40 0.00 0.00 179.01 178.89 2wrl h ILE 95 N 0.00 0.94 -3.48 3.13 1.08 -2.00 -3.38 117.51 113.79 2wrl h ILE 95 Ca 0.00 -0.27 -0.72 0.00 -0.39 0.00 0.00 64.86 63.48 2wrl h ILE 95 Cb 0.89 0.07 -0.21 0.00 -3.07 0.00 0.00 36.82 34.51 2wrl h ILE 95 CO 0.00 0.15 -0.38 -0.36 -0.69 0.00 0.00 178.15 176.86 2wrl s PHE 96 N -6.05 3.23 0.11 1.37 0.08 0.11 -5.07 117.98 111.77 2wrl s PHE 96 Ca -0.12 -0.60 -0.25 0.00 0.12 0.00 0.00 56.93 56.08 2wrl s PHE 96 Cb 0.19 -2.71 -0.07 0.00 -0.57 0.00 0.00 43.02 39.86 2wrl s PHE 96 CO 0.78 -0.63 0.75 0.15 -0.10 0.00 0.00 175.22 176.17 2wrl s LYS 97 N 1.75 4.51 -0.43 0.44 1.02 -1.26 -4.78 119.74 120.99 2wrl s LYS 97 Ca 0.06 1.08 -0.32 0.00 0.02 0.00 0.00 55.97 56.81 2wrl s LYS 97 Cb -0.19 -3.30 -0.11 0.00 -0.52 0.00 0.00 37.83 33.71 2wrl s LYS 97 CO 0.10 0.46 2.29 -2.30 -0.92 0.00 0.00 175.35 174.98 2wrl n PRO 98 N 2.09 1.05 0.00 -1.68 -0.02 -1.26 -2.58 135.00 132.60 2wrl n PRO 98 Ca -0.05 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 2wrl n PRO 98 Cb 0.49 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.36 2wrl n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrl n GLY 99 N 6.37 3.54 3.52 -1.23 0.00 -0.58 -4.98 105.19 111.83 2wrl n GLY 99 Ca 0.42 -0.52 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 2wrl n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrl n GLU 100 N 0.00 -0.33 -4.14 1.61 1.02 -1.06 -4.51 120.64 113.23 2wrl n GLU 100 Ca 0.00 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 2wrl n GLU 100 Cb 0.00 -2.07 -0.09 0.00 -0.02 0.00 0.00 31.44 29.26 2wrl n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wrl s ARG 101 N -4.01 3.47 0.20 3.49 1.81 -1.26 -2.62 118.95 120.02 2wrl s ARG 101 Ca 0.61 -0.33 0.07 0.00 -1.72 0.00 0.00 55.73 54.36 2wrl s ARG 101 Cb -0.22 -3.04 -0.05 0.00 -0.45 0.00 0.00 34.95 31.19 2wrl s ARG 101 CO 0.63 0.55 -0.12 0.14 -0.68 0.00 0.00 175.30 175.82 2wrl s VAL 102 N -0.42 1.56 -0.27 3.52 -7.23 0.21 -1.68 120.40 116.09 2wrl s VAL 102 Ca 0.09 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.11 2wrl s VAL 102 Cb -0.12 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2wrl s VAL 102 CO 0.02 -0.60 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.32 2wrl s ASP 103 N -3.29 4.49 -0.26 4.85 1.01 0.15 0.04 116.67 123.65 2wrl s ASP 103 Ca 0.22 -1.27 -0.11 0.00 0.71 0.00 0.00 52.55 52.10 2wrl s ASP 103 Cb 0.01 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 2wrl s ASP 103 CO 0.06 -0.19 0.17 -0.69 0.21 0.00 0.00 175.17 174.73 2wrl s VAL 104 N 1.18 5.31 0.07 -1.27 1.01 -0.90 -2.31 120.40 123.49 2wrl s VAL 104 Ca -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 2wrl s VAL 104 Cb -0.19 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2wrl s VAL 104 CO -0.04 0.29 0.23 -0.89 0.00 0.00 0.00 175.10 174.69 2wrl s THR 105 N 1.45 5.36 0.05 3.92 2.01 -0.70 -2.92 115.64 124.81 2wrl s THR 105 Ca 0.07 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 2wrl s THR 105 Cb -0.15 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.75 2wrl s THR 105 CO 0.08 0.14 0.13 0.61 -0.69 0.00 0.00 174.62 174.89 2wrl n GLY 106 N 0.29 1.61 3.13 4.40 0.00 -0.23 -2.16 105.19 112.23 2wrl n GLY 106 Ca -0.05 -1.02 -0.35 0.00 0.00 0.00 0.00 46.02 44.60 2wrl n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wrl s THR 107 N -2.73 3.08 -0.01 2.61 2.01 -1.25 -1.72 115.64 117.63 2wrl s THR 107 Ca 0.03 -1.81 -0.38 0.00 0.31 0.00 0.00 61.69 59.84 2wrl s THR 107 Cb -0.01 -2.99 -0.17 0.00 0.01 0.00 0.00 72.50 69.34 2wrl s THR 107 CO 0.01 -0.45 1.40 -1.54 -0.69 0.00 0.00 174.62 173.36 2wrl n SER 108 N 4.57 1.60 -4.54 3.53 3.41 -0.28 -2.68 113.62 119.23 2wrl n SER 108 Ca -0.06 1.12 -0.52 0.00 -0.26 0.00 0.00 58.87 59.14 2wrl n SER 108 Cb 0.42 -1.14 -0.06 0.00 -0.26 0.00 0.00 64.21 63.17 2wrl n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrl n LYS 109 N 3.03 0.73 -2.68 4.33 5.02 -1.26 0.81 118.16 128.15 2wrl n LYS 109 Ca 0.21 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.33 2wrl n LYS 109 Cb 0.16 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.39 2wrl n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wrl s GLY 110 N 0.04 1.46 0.00 0.72 0.00 -1.26 -2.82 107.32 105.45 2wrl s GLY 110 Ca 0.80 -0.35 0.29 0.00 0.00 0.00 0.00 44.72 45.47 2wrl s GLY 110 CO 0.52 2.25 1.91 0.54 0.00 0.00 0.00 173.10 178.33 2wrl n ARG 111 N 7.22 0.43 0.00 2.90 1.74 -0.37 -4.79 116.66 123.78 2wrl n ARG 111 Ca 0.10 -0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2wrl n ARG 111 Cb 0.48 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2wrl n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 112 N 1.33 -1.45 3.56 -0.13 0.00 -1.18 -4.41 105.19 102.91 2wrl n GLY 112 Ca 0.13 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 2wrl n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wrl s PHE 113 N 0.00 1.88 -0.08 1.61 5.99 -1.26 -1.32 117.98 124.80 2wrl s PHE 113 Ca 0.00 0.47 -0.13 0.00 0.00 0.00 0.00 56.93 57.27 2wrl s PHE 113 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 43.02 38.84 2wrl s PHE 113 CO 0.00 -1.83 0.33 0.00 -0.00 0.00 0.00 175.22 173.71 2wrl s ALA 114 N 9.32 3.68 0.62 11.12 0.00 -0.78 -4.90 121.76 140.83 2wrl s ALA 114 Ca 0.66 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 52.15 2wrl s ALA 114 Cb -0.07 -2.33 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 2wrl s ALA 114 CO 0.01 0.35 1.03 0.20 0.00 0.00 0.00 175.76 177.35 2wrl s GLY 115 N -0.45 1.66 0.58 0.00 0.00 -1.26 -2.16 107.32 105.69 2wrl s GLY 115 Ca 0.20 -0.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.63 2wrl s GLY 115 CO 0.08 0.17 0.93 1.55 0.00 0.00 0.00 173.10 175.83 2wrl n VAL 116 N -2.76 3.46 -1.98 1.40 3.14 -1.26 -1.56 118.33 118.77 2wrl n VAL 116 Ca 0.06 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2wrl n VAL 116 Cb 0.54 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.21 2wrl n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2wrl n MET 117 N -0.82 0.00 0.00 1.45 0.00 -1.26 -4.60 117.12 111.88 2wrl n MET 117 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.83 2wrl n MET 117 Cb 0.47 -2.01 0.00 0.00 0.00 0.00 0.00 33.22 31.68 2wrl n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wrl n LYS 118 N -0.43 0.00 0.08 2.12 0.00 -1.12 -4.57 118.16 114.24 2wrl n LYS 118 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.16 2wrl n LYS 118 Cb 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.29 2wrl n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wrl h ARG 119 N 0.00 0.24 0.00 1.64 1.12 -1.54 -3.38 114.38 112.46 2wrl h ARG 119 Ca 0.00 -0.40 0.00 0.00 -1.11 0.00 0.00 59.98 58.47 2wrl h ARG 119 Cb 0.00 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.11 2wrl h ARG 119 CO 0.00 1.15 -0.27 0.91 -3.11 0.00 0.00 179.97 178.65 2wrl n TRP 120 N -3.48 0.00 -3.58 2.20 7.02 -1.26 -5.01 117.44 113.33 2wrl n TRP 120 Ca -0.10 -0.07 -0.29 0.00 -1.02 0.00 0.00 57.50 56.02 2wrl n TRP 120 Cb 1.02 -0.04 0.02 0.00 -2.42 0.00 0.00 31.31 29.90 2wrl n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2wrl n ASN 121 N -0.09 -5.46 -4.45 -0.99 4.13 -1.26 -4.63 115.26 102.51 2wrl n ASN 121 Ca 0.01 -0.48 -0.21 0.00 1.68 0.00 0.00 54.58 55.58 2wrl n ASN 121 Cb 0.60 -2.04 0.10 0.00 -1.54 0.00 0.00 39.78 36.91 2wrl n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wrl n PHE 122 N -1.35 -2.87 -0.07 3.10 3.01 -1.26 -4.77 117.46 113.24 2wrl n PHE 122 Ca -0.18 -1.70 -0.20 0.00 1.01 0.00 0.00 57.45 56.38 2wrl n PHE 122 Cb 0.67 -0.66 -0.12 0.00 -0.01 0.00 0.00 39.48 39.36 2wrl n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wrl h ALA 123 N -0.49 0.18 -0.24 4.37 0.00 -1.92 -3.44 119.26 117.71 2wrl h ALA 123 Ca -0.30 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.60 2wrl h ALA 123 Cb 1.15 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.44 2wrl h ALA 123 CO 0.34 0.55 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2wrl n GLY 124 N 1.55 0.63 3.67 0.00 0.00 -1.26 -4.91 105.19 104.88 2wrl n GLY 124 Ca -0.25 -0.86 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 2wrl n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrl s GLY 125 N -0.33 2.92 0.21 -0.02 0.00 -0.55 -4.90 107.32 104.64 2wrl s GLY 125 Ca 0.00 -0.60 -0.30 0.00 0.00 0.00 0.00 44.72 43.82 2wrl s GLY 125 CO 0.00 -2.06 1.01 2.56 0.00 0.00 0.00 173.10 174.60 2wrl s PRO 126 N -3.81 4.73 0.58 2.90 0.04 -1.26 -4.87 135.00 133.31 2wrl s PRO 126 Ca 0.11 1.58 0.27 0.00 0.04 0.00 0.00 61.00 63.01 2wrl s PRO 126 Cb 0.01 -3.29 1.62 0.00 0.04 0.00 0.00 34.50 32.89 2wrl s PRO 126 CO 0.07 0.31 2.12 -0.44 0.04 0.00 0.00 177.00 179.10 2wrl h ASP 127 N 4.61 0.00 0.00 6.66 5.19 -1.94 -3.45 116.42 127.48 2wrl h ASP 127 Ca -0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.96 2wrl h ASP 127 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2wrl h ASP 127 CO 0.70 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.28 2wrl n SER 128 N -3.94 0.00 0.00 6.45 3.41 -1.26 -5.01 113.62 113.27 2wrl n SER 128 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2wrl n SER 128 Cb 0.28 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 2wrl n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wrl n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.57 115.22 124.97 2wrl n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wrl n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wrl n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrl n GLY 130 N 0.00 -2.13 3.49 -1.41 0.00 -1.26 -4.97 105.19 98.91 2wrl n GLY 130 Ca 0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2wrl n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl s ALA 131 N -2.65 -0.55 0.00 4.61 0.00 -1.26 -4.97 121.76 116.94 2wrl s ALA 131 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 51.96 51.80 2wrl s ALA 131 Cb 0.00 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 19.88 2wrl s ALA 131 CO 0.00 -3.89 0.78 1.58 0.00 0.00 0.00 175.76 174.23 2wrl n HIS 132 N -4.95 0.00 -2.48 0.00 -0.00 -1.26 -4.76 115.22 101.77 2wrl n HIS 132 Ca 0.03 -0.30 -0.25 0.00 0.46 0.00 0.00 57.72 57.66 2wrl n HIS 132 Cb 0.54 -0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2wrl n HIS 132 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2wrl n LYS 133 N -0.30 3.18 -0.70 1.57 4.81 -1.26 -4.56 118.16 120.90 2wrl n LYS 133 Ca 0.00 -4.35 -0.03 0.00 -0.87 0.00 0.00 58.31 53.06 2wrl n LYS 133 Cb 0.21 -2.14 -0.03 0.00 0.02 0.00 0.00 35.03 33.09 2wrl n LYS 133 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2wrl n ILE 134 N -0.45 0.00 -0.30 3.15 -6.64 -1.26 -5.01 119.36 108.85 2wrl n ILE 134 Ca 0.36 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 61.29 2wrl n ILE 134 Cb 0.69 0.24 0.07 0.00 -1.44 0.00 0.00 39.64 39.20 2wrl n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 2wrl h HIS 135 N 0.00 1.14 0.00 4.28 3.86 -1.87 -3.16 115.15 119.40 2wrl h HIS 135 Ca -0.27 -0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.90 2wrl h HIS 135 Cb 1.05 -0.36 -0.00 0.00 1.06 0.00 0.00 27.41 29.16 2wrl h HIS 135 CO -0.18 0.80 -0.14 0.54 0.86 0.00 0.00 177.93 179.81 2wrl n ARG 136 N -4.38 1.37 -2.32 2.45 1.74 -1.26 -1.49 116.66 112.76 2wrl n ARG 136 Ca 0.08 -2.78 -0.32 0.00 -0.77 0.00 0.00 57.85 54.05 2wrl n ARG 136 Cb 0.10 -1.53 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 2wrl n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wrl s HIS 137 N -2.98 3.37 0.23 -1.55 3.76 -1.19 -4.82 115.29 112.11 2wrl s HIS 137 Ca 0.34 1.47 -0.00 0.00 -0.15 0.00 0.00 55.06 56.72 2wrl s HIS 137 Cb 0.31 -2.83 0.24 0.00 1.11 0.00 0.00 32.58 31.41 2wrl s HIS 137 CO 0.00 -0.51 1.60 -1.00 -0.85 0.00 0.00 174.74 173.98 2wrl h PRO 138 N 0.81 0.51 0.00 8.40 0.13 -1.94 -3.36 132.00 136.54 2wrl h PRO 138 Ca -0.47 -0.26 0.00 0.00 -0.87 0.00 0.00 66.00 64.40 2wrl h PRO 138 Cb 1.19 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wrl h PRO 138 CO 0.61 0.84 0.00 0.41 -0.23 0.00 0.00 178.00 179.62 2wrl n GLY 139 N -0.01 0.58 3.79 1.56 0.00 -1.26 -4.87 105.19 104.98 2wrl n GLY 139 Ca -0.02 -1.08 -0.33 0.00 0.00 0.00 0.00 46.02 44.60 2wrl n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wrl s SER 140 N -4.00 5.49 0.00 1.61 0.15 -1.26 -4.98 113.70 110.71 2wrl s SER 140 Ca 0.00 1.88 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2wrl s SER 140 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2wrl s SER 140 CO 0.00 -1.37 0.88 2.30 1.20 0.00 0.00 173.24 176.25 2wrl n ILE 141 N -2.23 0.00 -3.09 6.45 -5.35 -1.26 -5.14 119.36 108.74 2wrl n ILE 141 Ca 0.09 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.57 2wrl n ILE 141 Cb 0.52 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 2wrl n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrl n GLY 142 N 0.00 -0.66 1.15 3.28 0.00 -1.26 -4.68 105.19 103.01 2wrl n GLY 142 Ca -0.00 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.25 2wrl n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wrl n ASN 143 N 0.04 2.15 0.00 1.61 5.03 -1.26 -5.15 115.26 117.68 2wrl n ASN 143 Ca 0.00 -1.71 0.00 0.00 0.87 0.00 0.00 54.58 53.74 2wrl n ASN 143 Cb 0.00 0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 2wrl n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wrl n ARG 144 N -0.38 0.04 0.00 3.52 5.12 -1.26 -4.83 116.66 118.87 2wrl n ARG 144 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2wrl n ARG 144 Cb 0.20 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.50 2wrl n ARG 144 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wrl n LYS 145 N 0.00 0.00 -1.65 5.56 4.76 -1.26 -3.95 118.16 121.62 2wrl n LYS 145 Ca 0.00 0.00 -0.62 0.00 -2.87 0.00 0.00 58.31 54.82 2wrl n LYS 145 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2wrl n LYS 145 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wrl n THR 146 N 0.00 0.05 -0.05 -0.18 -2.24 -1.26 0.24 114.28 110.85 2wrl n THR 146 Ca 0.00 -0.01 -0.08 0.00 -2.27 0.00 0.00 64.05 61.69 2wrl n THR 146 Cb 0.00 -0.49 0.08 0.00 -2.10 0.00 0.00 70.33 67.82 2wrl n THR 146 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wrl h PRO 147 N 4.68 0.68 0.00 -0.78 0.13 -1.91 -3.46 132.00 131.33 2wrl h PRO 147 Ca -0.47 -0.32 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2wrl h PRO 147 Cb 1.38 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2wrl h PRO 147 CO 0.85 0.93 0.00 0.41 -0.23 0.00 0.00 178.00 179.96 2wrl n GLY 148 N -0.06 0.16 0.00 1.56 0.00 0.67 -5.03 105.19 102.50 2wrl n GLY 148 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wrl n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrl n ARG 149 N -1.97 3.68 -4.46 1.61 1.85 -1.26 -5.04 116.66 111.06 2wrl n ARG 149 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 2wrl n ARG 149 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 2wrl n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wrl s VAL 150 N 1.28 0.89 0.26 8.89 1.01 -1.26 -4.72 120.40 126.75 2wrl s VAL 150 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 2wrl s VAL 150 Cb 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 36.38 35.47 2wrl s VAL 150 CO 0.00 0.27 1.38 -1.22 0.00 0.00 0.00 175.10 175.54 2wrl n TYR 151 N 3.26 2.20 -1.18 5.22 4.01 -1.26 -4.95 117.16 124.46 2wrl n TYR 151 Ca -0.18 0.45 -0.30 0.00 -0.16 0.00 0.00 57.90 57.71 2wrl n TYR 151 Cb 0.54 -2.45 0.13 0.00 -0.31 0.00 0.00 39.34 37.24 2wrl n TYR 151 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wrl s LYS 152 N -0.75 1.54 -1.18 -0.72 2.47 -1.26 -3.46 119.74 116.38 2wrl s LYS 152 Ca 0.65 0.99 -0.18 0.00 -1.56 0.00 0.00 55.97 55.86 2wrl s LYS 152 Cb -0.63 -1.83 -0.00 0.00 -1.46 0.00 0.00 37.83 33.91 2wrl s LYS 152 CO 0.52 -2.09 0.74 0.41 0.16 0.00 0.00 175.35 175.09 2wrl n GLY 153 N -1.03 -0.86 3.90 5.54 0.00 -1.26 -4.95 105.19 106.54 2wrl n GLY 153 Ca 0.08 0.40 -0.32 0.00 0.00 0.00 0.00 46.02 46.18 2wrl n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrl s LYS 154 N -6.14 3.57 -0.45 1.61 2.47 -1.22 -5.03 119.74 114.54 2wrl s LYS 154 Ca 0.40 -0.18 -0.28 0.00 -1.56 0.00 0.00 55.97 54.35 2wrl s LYS 154 Cb -0.15 -2.93 0.03 0.00 -1.46 0.00 0.00 37.83 33.32 2wrl s LYS 154 CO 0.87 0.53 1.10 0.15 0.16 0.00 0.00 175.35 178.16 2wrl s LYS 155 N -2.50 3.75 0.28 4.03 1.02 -1.26 -4.98 119.74 120.08 2wrl s LYS 155 Ca 0.38 0.58 0.03 0.00 0.02 0.00 0.00 55.97 56.97 2wrl s LYS 155 Cb -0.13 -3.89 -0.04 0.00 -0.52 0.00 0.00 37.83 33.26 2wrl s LYS 155 CO 0.24 -1.29 0.19 -1.64 -0.92 0.00 0.00 175.35 171.93 2wrl s MET 156 N 4.24 1.52 0.51 1.68 -1.94 -1.26 -5.07 119.30 118.98 2wrl s MET 156 Ca 0.46 -1.86 -0.22 0.00 -1.71 0.00 0.00 55.69 52.36 2wrl s MET 156 Cb -0.08 0.16 -0.06 0.00 2.01 0.00 0.00 34.83 36.85 2wrl s MET 156 CO 0.29 -0.50 1.20 0.00 -0.01 0.00 0.00 175.02 176.00 2wrl s ALA 157 N -3.73 2.85 0.00 3.03 0.00 -1.26 -4.68 121.76 117.97 2wrl s ALA 157 Ca 0.38 1.01 0.00 0.00 0.00 0.00 0.00 51.96 53.35 2wrl s ALA 157 Cb 0.05 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2wrl s ALA 157 CO 0.19 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2wrl n GLY 158 N 0.47 -0.29 3.65 0.00 0.00 -0.92 -4.95 105.19 103.16 2wrl n GLY 158 Ca 0.09 -1.12 -0.45 0.00 0.00 0.00 0.00 46.02 44.54 2wrl n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wrl n HIS 159 N -0.56 1.95 -3.70 1.61 -0.00 -1.26 -1.86 115.22 111.40 2wrl n HIS 159 Ca 0.00 0.52 -0.13 0.00 -0.00 0.00 0.00 57.72 58.11 2wrl n HIS 159 Cb 0.00 -2.40 -0.13 0.00 -0.00 0.00 0.00 29.99 27.45 2wrl n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2wrl s TYR 160 N -0.32 -0.35 0.00 1.57 6.14 -0.43 -4.82 117.35 119.14 2wrl s TYR 160 Ca 0.66 0.83 0.00 0.00 0.64 0.00 0.00 57.07 59.20 2wrl s TYR 160 Cb -0.68 0.00 0.00 0.00 0.42 0.00 0.00 41.96 41.70 2wrl s TYR 160 CO 0.53 -0.27 0.00 0.41 0.64 0.00 0.00 175.55 176.85 2wrl n GLY 161 N 4.66 0.25 3.30 8.97 0.00 -1.26 -1.24 105.19 119.87 2wrl n GLY 161 Ca -0.18 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.50 2wrl n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl n ALA 162 N -0.88 -2.15 -3.50 4.61 0.00 0.24 -4.82 120.51 114.01 2wrl n ALA 162 Ca 0.00 -0.16 0.01 0.00 0.00 0.00 0.00 53.44 53.29 2wrl n ALA 162 Cb 0.00 -0.48 0.02 0.00 0.00 0.00 0.00 19.45 18.98 2wrl n ALA 162 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wrl n GLU 163 N -1.79 0.60 -2.39 0.00 0.28 -1.22 -4.86 120.64 111.26 2wrl n GLU 163 Ca -0.20 -1.21 -0.43 0.00 -0.16 0.00 0.00 57.16 55.16 2wrl n GLU 163 Cb 0.45 1.54 -0.02 0.00 1.43 0.00 0.00 31.44 34.84 2wrl n GLU 163 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2wrl s ARG 164 N -2.05 3.50 0.06 3.44 3.52 -1.26 -1.13 118.95 125.04 2wrl s ARG 164 Ca 0.11 0.74 0.09 0.00 -0.13 0.00 0.00 55.73 56.54 2wrl s ARG 164 Cb -0.03 -4.04 -0.03 0.00 -1.56 0.00 0.00 34.95 29.29 2wrl s ARG 164 CO 0.06 -1.67 -0.24 0.08 -0.81 0.00 0.00 175.30 172.72 2wrl s VAL 165 N 5.53 1.97 -0.47 7.11 1.01 -0.70 -4.99 120.40 129.87 2wrl s VAL 165 Ca 0.57 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 61.25 2wrl s VAL 165 Cb -0.12 -1.70 0.27 0.00 0.00 0.00 0.00 36.38 34.83 2wrl s VAL 165 CO 0.30 0.26 0.64 0.41 0.00 0.00 0.00 175.10 176.71 2wrl n THR 166 N 1.66 0.48 -1.65 3.92 -1.04 -1.26 -1.07 114.28 115.32 2wrl n THR 166 Ca -0.17 -4.53 -0.50 0.00 -2.04 0.00 0.00 64.05 56.81 2wrl n THR 166 Cb 0.53 -1.76 -0.05 0.00 -1.82 0.00 0.00 70.33 67.23 2wrl n THR 166 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2wrl n VAL 167 N 1.01 0.12 -3.65 12.58 3.14 -1.15 -4.78 118.33 125.59 2wrl n VAL 167 Ca 0.25 -0.02 -0.20 0.00 -2.96 0.00 0.00 64.34 61.40 2wrl n VAL 167 Cb 0.50 -1.29 -0.03 0.00 -1.06 0.00 0.00 33.84 31.96 2wrl n VAL 167 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 2wrl s MET 168 N 1.50 2.73 -1.38 1.45 1.00 -1.26 -2.12 119.30 121.23 2wrl s MET 168 Ca 0.85 -1.32 0.00 0.00 0.00 0.00 0.00 55.69 55.22 2wrl s MET 168 Cb -0.82 -2.51 0.00 0.00 0.00 0.00 0.00 34.83 31.49 2wrl s MET 168 CO 0.46 -0.01 0.00 -1.71 0.00 0.00 0.00 175.02 173.76 2wrl n ASN 169 N -1.48 -3.66 -4.72 3.03 5.15 -0.68 -4.92 115.26 107.99 2wrl n ASN 169 Ca 0.00 0.30 -0.36 0.00 -0.60 0.00 0.00 54.58 53.93 2wrl n ASN 169 Cb 0.60 -3.35 0.09 0.00 -0.53 0.00 0.00 39.78 36.59 2wrl n ASN 169 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wrl s LEU 170 N -4.14 3.40 -0.11 1.20 1.02 0.11 -4.46 118.68 115.70 2wrl s LEU 170 Ca 0.00 2.52 -0.12 0.00 0.02 0.00 0.00 54.13 56.55 2wrl s LEU 170 Cb 0.00 -4.61 -0.05 0.00 0.02 0.00 0.00 46.19 41.56 2wrl s LEU 170 CO 0.00 -2.26 0.26 -0.70 0.02 0.00 0.00 176.35 173.67 2wrl s GLU 171 N -3.68 3.91 -0.40 1.70 2.12 -1.26 -0.62 118.70 120.47 2wrl s GLU 171 Ca 0.79 0.09 -0.28 0.00 0.36 0.00 0.00 54.97 55.93 2wrl s GLU 171 Cb -0.34 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.77 2wrl s GLU 171 CO 0.44 0.53 1.04 0.08 -0.54 0.00 0.00 175.26 176.81 2wrl s VAL 172 N -0.41 4.43 0.04 3.70 1.01 -1.08 -2.12 120.40 125.97 2wrl s VAL 172 Ca 0.17 1.33 -0.15 0.00 0.00 0.00 0.00 61.98 63.33 2wrl s VAL 172 Cb -0.14 -4.45 -0.35 0.00 0.00 0.00 0.00 36.38 31.44 2wrl s VAL 172 CO 0.06 -0.69 1.02 0.58 0.00 0.00 0.00 175.10 176.07 2wrl h VAL 173 N 5.94 1.29 -1.51 2.92 2.07 -1.57 -1.54 116.25 123.86 2wrl h VAL 173 Ca -0.22 -2.68 0.08 0.00 0.82 0.00 0.00 66.70 64.70 2wrl h VAL 173 Cb 1.07 2.99 -0.27 0.00 -1.52 0.00 0.00 31.29 33.56 2wrl h VAL 173 CO 1.05 0.80 0.53 -0.62 0.02 0.00 0.00 177.57 179.36 2wrl s ASP 174 N -7.56 -0.38 -0.12 0.57 3.68 -1.25 -4.82 116.67 106.79 2wrl s ASP 174 Ca -0.09 0.70 0.02 0.00 2.13 0.00 0.00 52.55 55.31 2wrl s ASP 174 Cb 0.04 0.70 0.01 0.00 -1.45 0.00 0.00 42.92 42.22 2wrl s ASP 174 CO 0.95 -0.15 -0.20 0.54 0.13 0.00 0.00 175.17 176.44 2wrl s VAL 175 N 0.05 1.88 -0.73 1.11 0.11 -1.26 -1.35 120.40 120.22 2wrl s VAL 175 Ca 0.03 -0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 58.17 2wrl s VAL 175 Cb -0.05 -1.67 0.18 0.00 -1.53 0.00 0.00 36.38 33.31 2wrl s VAL 175 CO -0.07 0.52 0.57 -0.63 -3.33 0.00 0.00 175.10 172.16 2wrl s ILE 176 N 0.80 4.01 0.28 7.04 1.01 -0.54 -4.90 121.20 128.90 2wrl s ILE 176 Ca -0.08 -3.27 0.01 0.00 0.00 0.00 0.00 60.65 57.31 2wrl s ILE 176 Cb -0.16 -3.56 0.27 0.00 0.01 0.00 0.00 42.46 39.03 2wrl s ILE 176 CO -0.00 -0.96 1.81 1.55 0.00 0.00 0.00 174.94 177.34 2wrl h PRO 177 N 6.69 0.84 -0.37 2.79 0.13 -1.95 -0.18 132.00 139.94 2wrl h PRO 177 Ca 0.05 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.20 2wrl h PRO 177 Cb 0.91 -0.19 -0.06 0.00 0.13 0.00 0.00 31.00 31.78 2wrl h PRO 177 CO 0.76 0.56 -0.12 -1.91 -0.23 0.00 0.00 178.00 177.05 2wrl n GLU 178 N -4.70 -0.07 0.00 0.86 4.07 -1.26 -0.80 120.64 118.74 2wrl n GLU 178 Ca 0.19 0.58 0.02 0.00 -0.06 0.00 0.00 57.16 57.88 2wrl n GLU 178 Cb 0.40 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 30.93 2wrl n GLU 178 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2wrl n GLU 179 N -4.57 1.55 -2.39 5.31 4.07 -0.64 -5.02 120.64 118.94 2wrl n GLU 179 Ca 0.05 -0.48 0.00 0.00 -0.06 0.00 0.00 57.16 56.67 2wrl n GLU 179 Cb 0.16 -0.93 0.00 0.00 -0.06 0.00 0.00 31.44 30.62 2wrl n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2wrl n ASN 180 N -0.21 -1.91 -4.61 4.31 3.02 0.02 -4.98 115.26 110.90 2wrl n ASN 180 Ca 0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 2wrl n ASN 180 Cb 0.07 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.66 2wrl n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wrl s LEU 181 N -0.97 3.37 -0.23 3.41 2.01 -0.95 -1.70 118.68 123.63 2wrl s LEU 181 Ca 0.00 0.03 0.02 0.00 0.01 0.00 0.00 54.13 54.19 2wrl s LEU 181 Cb 0.00 -1.77 0.05 0.00 0.01 0.00 0.00 46.19 44.48 2wrl s LEU 181 CO 0.00 0.32 -0.12 -0.22 1.01 0.00 0.00 176.35 177.34 2wrl s LEU 182 N -0.56 2.91 -0.20 1.79 2.96 -0.11 -1.47 118.68 124.00 2wrl s LEU 182 Ca 0.09 -1.15 -0.14 0.00 -0.22 0.00 0.00 54.13 52.71 2wrl s LEU 182 Cb -0.12 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 2wrl s LEU 182 CO 0.02 -0.15 0.32 -0.76 -1.32 0.00 0.00 176.35 174.46 2wrl s LEU 183 N 1.22 4.16 0.24 -0.68 1.02 -0.45 -2.21 118.68 121.97 2wrl s LEU 183 Ca -0.05 0.42 0.11 0.00 0.02 0.00 0.00 54.13 54.63 2wrl s LEU 183 Cb -0.18 -2.39 -0.05 0.00 0.02 0.00 0.00 46.19 43.59 2wrl s LEU 183 CO -0.07 -0.01 -0.21 0.68 0.02 0.00 0.00 176.35 176.76 2wrl s VAL 184 N 1.11 2.31 0.00 -1.59 -7.23 -0.77 -1.38 120.40 112.84 2wrl s VAL 184 Ca 0.16 -2.23 0.00 0.00 -1.81 0.00 0.00 61.98 58.10 2wrl s VAL 184 Cb -0.14 -2.18 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2wrl s VAL 184 CO 0.06 -0.33 0.41 0.29 -0.31 0.00 0.00 175.10 175.23 2wrl n LYS 185 N -0.25 0.00 -0.71 4.82 4.76 -0.90 -1.35 118.16 124.53 2wrl n LYS 185 Ca -0.08 -0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2wrl n LYS 185 Cb 0.59 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 2wrl n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrl n GLY 186 N 2.73 -0.59 2.69 0.72 0.00 -1.15 -4.79 105.19 104.81 2wrl n GLY 186 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 2wrl n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrl n ALA 187 N -2.31 -3.53 -2.80 4.61 0.00 -1.26 -4.79 120.51 110.42 2wrl n ALA 187 Ca -0.01 1.10 -0.20 0.00 0.00 0.00 0.00 53.44 54.33 2wrl n ALA 187 Cb 0.54 -2.17 -0.15 0.00 0.00 0.00 0.00 19.45 17.66 2wrl n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrl s VAL 188 N -1.33 0.84 0.88 0.00 0.11 -1.26 -4.98 120.40 114.66 2wrl s VAL 188 Ca -0.09 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.42 2wrl s VAL 188 Cb 0.01 -0.72 0.11 0.00 -1.53 0.00 0.00 36.38 34.25 2wrl s VAL 188 CO 0.78 0.25 0.17 -0.81 -3.33 0.00 0.00 175.10 172.16 2wrl n PRO 189 N 3.01 -1.62 -0.95 1.54 -0.04 -1.26 -4.85 135.00 130.83 2wrl n PRO 189 Ca -0.16 -0.48 0.12 0.00 -0.04 0.00 0.00 63.50 62.94 2wrl n PRO 189 Cb 0.55 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.63 2wrl n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrl n GLY 190 N 2.62 -2.75 3.94 0.55 0.00 -1.09 -4.59 105.19 103.87 2wrl n GLY 190 Ca 0.04 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.58 2wrl n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wrl s PRO 191 N -3.31 1.45 0.60 1.61 0.04 -1.22 -4.66 135.00 129.51 2wrl s PRO 191 Ca 0.00 -0.52 -0.18 0.00 0.04 0.00 0.00 61.00 60.34 2wrl s PRO 191 Cb 0.00 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2wrl s PRO 191 CO 0.00 -1.77 1.18 -0.80 0.04 0.00 0.00 177.00 175.66 2wrl s ASN 192 N -4.72 5.20 -2.10 6.66 0.02 -1.26 -2.08 114.94 116.66 2wrl s ASN 192 Ca 0.67 2.31 0.00 0.00 -1.02 0.00 0.00 52.86 54.82 2wrl s ASN 192 Cb -0.07 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.61 2wrl s ASN 192 CO 0.48 -1.58 0.00 0.61 0.02 0.00 0.00 177.10 176.63 2wrl n GLY 193 N 0.34 1.30 3.92 0.66 0.00 1.22 -4.95 105.19 107.67 2wrl n GLY 193 Ca 0.13 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 2wrl n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrl s GLY 194 N -2.58 1.42 -0.27 -0.02 0.00 -0.88 -4.78 107.32 100.21 2wrl s GLY 194 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 2wrl s GLY 194 CO 0.00 -0.60 1.15 -2.27 0.00 0.00 0.00 173.10 171.38 2wrl s LEU 195 N -4.54 3.99 0.34 0.66 2.96 -1.26 -1.58 118.68 119.25 2wrl s LEU 195 Ca 0.44 1.25 0.08 0.00 -0.22 0.00 0.00 54.13 55.69 2wrl s LEU 195 Cb -0.10 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 2wrl s LEU 195 CO 0.40 -0.87 -0.07 0.68 -1.32 0.00 0.00 176.35 175.18 2wrl s VAL 196 N 3.70 2.07 -0.08 1.68 -7.23 0.31 -4.40 120.40 116.44 2wrl s VAL 196 Ca 0.49 -2.16 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 2wrl s VAL 196 Cb -0.15 -2.65 0.05 0.00 0.56 0.00 0.00 36.38 34.18 2wrl s VAL 196 CO 0.15 -0.19 0.16 0.27 -0.31 0.00 0.00 175.10 175.18 2wrl s ILE 197 N -2.72 -0.22 -0.17 -0.62 -4.36 -0.92 -0.93 121.20 111.26 2wrl s ILE 197 Ca 0.32 0.31 -0.10 0.00 -0.26 0.00 0.00 60.65 60.93 2wrl s ILE 197 Cb 0.04 -0.29 -0.05 0.00 1.25 0.00 0.00 42.46 43.41 2wrl s ILE 197 CO 0.16 0.13 0.16 -0.69 0.24 0.00 0.00 174.94 174.94 2wrl s VAL 198 N 2.06 5.41 0.19 8.37 1.01 -0.70 -1.73 120.40 135.02 2wrl s VAL 198 Ca 0.00 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2wrl s VAL 198 Cb -0.12 -3.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 2wrl s VAL 198 CO -0.06 0.49 0.06 -0.13 0.00 0.00 0.00 175.10 175.46 2wrl s ARG 199 N -0.08 1.16 0.62 2.72 0.52 -0.98 -1.20 118.95 121.72 2wrl s ARG 199 Ca 0.12 -1.59 -0.18 0.00 -0.52 0.00 0.00 55.73 53.56 2wrl s ARG 199 Cb -0.12 -0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.26 2wrl s ARG 199 CO 0.01 -0.24 1.25 -1.83 0.02 0.00 0.00 175.30 174.51 2wrl s GLU 200 N -4.01 2.76 0.00 3.54 1.03 -1.18 -0.68 118.70 120.16 2wrl s GLU 200 Ca 0.30 1.95 0.00 0.00 0.03 0.00 0.00 54.97 57.24 2wrl s GLU 200 Cb 0.07 -1.89 0.00 0.00 -0.80 0.00 0.00 34.13 31.51 2wrl s GLU 200 CO 0.07 -1.40 0.00 -2.37 -1.33 0.00 0.00 175.26 170.23 2wrl n THR 201 N -1.75 0.00 -3.14 1.83 5.66 -0.67 -4.26 114.28 111.94 2wrl n THR 201 Ca 0.15 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.94 2wrl n THR 201 Cb 0.49 -1.58 -0.04 0.00 -1.55 0.00 0.00 70.33 67.64 2wrl n THR 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wrl n LYS 202 N -0.20 0.81 -0.06 1.09 4.01 -1.26 -4.96 118.16 117.59 2wrl n LYS 202 Ca 0.00 -3.12 -0.18 0.00 -0.51 0.00 0.00 58.31 54.50 2wrl n LYS 202 Cb 0.00 -1.39 -0.13 0.00 -0.51 0.00 0.00 35.03 33.01 2wrl n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2wrl h LYS 203 N 3.63 0.06 0.00 1.97 5.09 -1.97 -3.47 116.57 121.88 2wrl h LYS 203 Ca 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 60.65 60.69 2wrl h LYS 203 Cb 0.93 0.04 0.00 0.00 0.10 0.00 0.00 32.23 33.30 2wrl h LYS 203 CO 0.45 1.05 -0.07 0.00 -2.09 0.00 0.00 179.45 178.80 2wrl n ALA 204 N -2.94 3.00 0.00 0.07 0.00 -1.26 -5.28 120.51 114.10 2wrl n ALA 204 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 2wrl n ALA 204 Cb 0.64 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.13 2wrl n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50