#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrj n LYS 2 N 0.00 0.00 0.00 0.03 5.02 -1.26 -4.66 118.16 117.29 2wrj n LYS 2 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wrj n LYS 2 Cb 0.00 -0.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.47 2wrj n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wrj n GLY 3 N 1.34 1.69 3.46 0.72 0.00 -1.26 -3.11 105.19 108.03 2wrj n GLY 3 Ca 0.04 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2wrj n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2wrj s ILE 4 N -1.11 0.03 0.22 -0.61 2.07 -0.37 -5.01 121.20 116.42 2wrj s ILE 4 Ca 0.00 -1.31 0.03 0.00 -1.41 0.00 0.00 60.65 57.96 2wrj s ILE 4 Cb 0.00 -1.96 -0.03 0.00 0.13 0.00 0.00 42.46 40.60 2wrj s ILE 4 CO 0.00 -0.14 0.36 -0.76 -1.91 0.00 0.00 174.94 172.49 2wrj s LEU 5 N -2.98 4.28 0.00 8.50 1.43 -1.26 -1.69 118.68 126.96 2wrj s LEU 5 Ca 0.19 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.32 2wrj s LEU 5 Cb 0.01 -2.95 0.05 0.00 0.03 0.00 0.00 46.19 43.33 2wrj s LEU 5 CO 0.03 -0.06 0.70 0.61 0.23 0.00 0.00 176.35 177.87 2wrj n GLY 6 N -1.14 0.97 2.76 -3.19 0.00 -0.11 -4.35 105.19 100.13 2wrj n GLY 6 Ca -0.08 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.61 2wrj n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrj s VAL 7 N -2.24 -0.21 -0.28 1.61 0.11 -0.27 -0.71 120.40 118.41 2wrj s VAL 7 Ca 0.15 0.28 -0.35 0.00 -2.93 0.00 0.00 61.98 59.13 2wrj s VAL 7 Cb -0.03 -0.31 -0.12 0.00 -1.53 0.00 0.00 36.38 34.39 2wrj s VAL 7 CO 0.06 0.08 2.08 1.17 -3.33 0.00 0.00 175.10 175.16 2wrj n LYS 8 N 5.31 1.35 -0.08 1.54 4.81 -0.55 -1.22 118.16 129.32 2wrj n LYS 8 Ca -0.04 0.42 -0.14 0.00 -0.87 0.00 0.00 58.31 57.68 2wrj n LYS 8 Cb 0.50 -2.50 -0.08 0.00 0.02 0.00 0.00 35.03 32.96 2wrj n LYS 8 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 2wrj h VAL 9 N 6.55 0.82 0.00 3.15 -1.51 -0.25 3.84 116.25 128.85 2wrj h VAL 9 Ca -0.35 -1.82 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 2wrj h VAL 9 Cb 1.31 1.75 0.00 0.00 -2.13 0.00 0.00 31.29 32.22 2wrj h VAL 9 CO 0.99 0.28 0.00 0.61 -1.23 0.00 0.00 177.57 178.22 2wrj n GLY 10 N 1.56 -0.84 3.06 5.19 0.00 -1.22 -4.21 105.19 108.72 2wrj n GLY 10 Ca -0.17 -1.17 -0.08 0.00 0.00 0.00 0.00 46.02 44.60 2wrj n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wrj s MET 11 N -2.00 0.50 0.16 1.61 0.23 -1.26 -0.41 119.30 118.13 2wrj s MET 11 Ca 0.00 -0.92 -0.05 0.00 -1.03 0.00 0.00 55.69 53.69 2wrj s MET 11 Cb 0.00 0.18 0.02 0.00 -1.53 0.00 0.00 34.83 33.50 2wrj s MET 11 CO 0.00 -0.10 0.30 0.25 -2.03 0.00 0.00 175.02 173.44 2wrj n THR 12 N 0.75 0.00 -4.55 3.16 -2.24 0.18 -4.96 114.28 106.61 2wrj n THR 12 Ca -0.18 -0.49 -0.26 0.00 -2.27 0.00 0.00 64.05 60.85 2wrj n THR 12 Cb 0.58 0.42 -0.11 0.00 -2.10 0.00 0.00 70.33 69.13 2wrj n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wrj s ARG 13 N -2.11 1.82 0.00 -0.78 1.70 -1.26 0.24 118.95 118.57 2wrj s ARG 13 Ca 0.08 -1.96 0.00 0.00 -0.47 0.00 0.00 55.73 53.38 2wrj s ARG 13 Cb -0.02 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.72 2wrj s ARG 13 CO 0.06 0.10 0.00 0.44 -1.08 0.00 0.00 175.30 174.81 2wrj n ILE 14 N -0.81 0.00 -3.48 4.99 -5.35 0.11 -4.90 119.36 109.92 2wrj n ILE 14 Ca -0.05 0.00 -0.25 0.00 -0.27 0.00 0.00 62.75 62.18 2wrj n ILE 14 Cb 0.64 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 38.41 2wrj n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wrj s PHE 15 N 1.03 0.09 -0.20 4.28 0.08 -1.26 -2.83 117.98 119.17 2wrj s PHE 15 Ca 0.00 -0.73 -0.15 0.00 0.12 0.00 0.00 56.93 56.18 2wrj s PHE 15 Cb 0.00 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.66 2wrj s PHE 15 CO 0.00 -0.86 0.35 1.03 -0.10 0.00 0.00 175.22 175.64 2wrj s ARG 16 N 2.06 4.18 2.03 0.44 0.52 -0.78 -4.79 118.95 122.62 2wrj s ARG 16 Ca 0.10 0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 2wrj s ARG 16 Cb -0.16 -3.51 0.00 0.00 0.52 0.00 0.00 34.95 31.80 2wrj s ARG 16 CO -0.31 0.03 0.00 -3.47 0.02 0.00 0.00 175.30 171.57 2wrj n ASP 17 N 4.26 0.00 0.00 0.23 4.64 -1.26 -1.07 116.55 123.35 2wrj n ASP 17 Ca -0.10 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.31 2wrj n ASP 17 Cb 0.51 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.59 2wrj n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2wrj n ASP 18 N 3.12 0.00 -4.86 1.67 8.00 -1.26 -5.11 116.55 118.11 2wrj n ASP 18 Ca 0.00 -1.00 -0.24 0.00 0.71 0.00 0.00 54.79 54.26 2wrj n ASP 18 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2wrj n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wrj s ARG 19 N 0.00 2.32 -0.25 -1.24 1.70 -0.23 -5.12 118.95 116.13 2wrj s ARG 19 Ca 0.00 -1.86 -0.05 0.00 -0.47 0.00 0.00 55.73 53.35 2wrj s ARG 19 Cb 0.00 -2.15 -0.01 0.00 -0.57 0.00 0.00 34.95 32.22 2wrj s ARG 19 CO 0.00 -0.41 0.01 0.00 -1.08 0.00 0.00 175.30 173.82 2wrj s ALA 20 N -2.66 2.95 -0.16 7.88 0.00 -1.26 -1.86 121.76 126.65 2wrj s ALA 20 Ca 0.39 -1.24 -0.04 0.00 0.00 0.00 0.00 51.96 51.07 2wrj s ALA 20 Cb -0.01 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 2wrj s ALA 20 CO 0.23 -0.58 -0.02 0.14 0.00 0.00 0.00 175.76 175.53 2wrj s VAL 21 N 1.51 4.00 0.39 0.00 -7.23 -1.13 -4.90 120.40 113.05 2wrj s VAL 21 Ca 0.05 -0.32 -0.22 0.00 -1.81 0.00 0.00 61.98 59.68 2wrj s VAL 21 Cb -0.15 -2.76 -0.11 0.00 0.56 0.00 0.00 36.38 33.92 2wrj s VAL 21 CO -0.00 0.49 0.93 -2.16 -0.31 0.00 0.00 175.10 174.04 2wrj s PRO 22 N 0.40 4.29 -0.02 4.82 0.04 -1.26 0.07 135.00 143.35 2wrj s PRO 22 Ca -0.03 1.12 -0.15 0.00 0.04 0.00 0.00 61.00 61.98 2wrj s PRO 22 Cb -0.14 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.07 2wrj s PRO 22 CO 0.03 0.07 0.32 0.14 0.04 0.00 0.00 177.00 177.60 2wrj s VAL 23 N -2.02 0.05 0.00 -0.36 -7.23 0.67 -2.90 120.40 108.62 2wrj s VAL 23 Ca 0.58 -0.45 0.05 0.00 -1.81 0.00 0.00 61.98 60.35 2wrj s VAL 23 Cb -0.11 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.17 2wrj s VAL 23 CO 0.16 -0.25 -0.15 0.28 -0.31 0.00 0.00 175.10 174.83 2wrj s THR 24 N -1.32 2.98 0.04 5.32 -1.32 -0.45 0.47 115.64 121.36 2wrj s THR 24 Ca -0.13 -0.96 0.05 0.00 -1.21 0.00 0.00 61.69 59.43 2wrj s THR 24 Cb -0.05 -2.23 -0.04 0.00 -1.51 0.00 0.00 72.50 68.68 2wrj s THR 24 CO 0.04 0.44 -0.08 -0.69 -2.21 0.00 0.00 174.62 172.12 2wrj s VAL 25 N -0.86 3.51 -0.01 5.08 1.01 0.45 -1.88 120.40 127.71 2wrj s VAL 25 Ca 0.14 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.18 2wrj s VAL 25 Cb -0.11 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.72 2wrj s VAL 25 CO 0.04 0.31 -0.03 0.27 0.00 0.00 0.00 175.10 175.68 2wrj s ILE 26 N -1.05 0.29 -0.27 2.22 -4.36 -0.92 0.54 121.20 117.65 2wrj s ILE 26 Ca 0.18 -0.14 -0.23 0.00 -0.26 0.00 0.00 60.65 60.20 2wrj s ILE 26 Cb -0.11 -0.27 -0.00 0.00 1.25 0.00 0.00 42.46 43.33 2wrj s ILE 26 CO 0.09 0.09 0.78 -0.22 0.24 0.00 0.00 174.94 175.93 2wrj s LEU 27 N 0.05 4.08 -0.78 0.37 2.96 -0.36 -1.11 118.68 123.89 2wrj s LEU 27 Ca -0.00 0.82 -0.02 0.00 -0.22 0.00 0.00 54.13 54.71 2wrj s LEU 27 Cb -0.03 -3.09 0.38 0.00 0.50 0.00 0.00 46.19 43.95 2wrj s LEU 27 CO -0.00 -0.54 2.01 0.00 -1.32 0.00 0.00 176.35 176.49 2wrj n ALA 28 N 6.07 6.44 -0.99 5.97 0.00 -0.69 -1.11 120.51 136.20 2wrj n ALA 28 Ca 0.04 -3.92 -0.34 0.00 0.00 0.00 0.00 53.44 49.22 2wrj n ALA 28 Cb 0.48 -1.90 -0.02 0.00 0.00 0.00 0.00 19.45 18.01 2wrj n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 29 N -0.66 -1.21 3.44 0.00 0.00 -1.26 -4.53 105.19 100.97 2wrj n GLY 29 Ca 0.56 0.25 -0.58 0.00 0.00 0.00 0.00 46.02 46.25 2wrj n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wrj n PRO 30 N 0.72 0.44 -3.44 1.61 -0.02 -1.26 -4.85 135.00 128.19 2wrj n PRO 30 Ca 0.13 0.14 -0.43 0.00 -2.02 0.00 0.00 63.50 61.31 2wrj n PRO 30 Cb 0.17 -1.84 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 2wrj n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrj s PRO 32 N 1.74 4.02 0.62 0.00 0.02 -1.23 0.18 135.00 140.35 2wrj s PRO 32 Ca 0.06 1.96 -0.19 0.00 0.02 0.00 0.00 61.00 62.85 2wrj s PRO 32 Cb -0.19 -4.00 -0.02 0.00 0.02 0.00 0.00 34.50 30.31 2wrj s PRO 32 CO 0.10 -1.03 1.29 0.54 -0.33 0.00 0.00 177.00 177.57 2wrj s VAL 33 N 4.53 2.16 0.00 3.83 0.11 -1.26 -2.20 120.40 127.56 2wrj s VAL 33 Ca 0.72 0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.93 2wrj s VAL 33 Cb -0.29 -3.04 0.10 0.00 -1.53 0.00 0.00 36.38 31.61 2wrj s VAL 33 CO 0.28 -0.02 0.90 0.55 -3.33 0.00 0.00 175.10 173.49 2wrj n VAL 34 N -1.68 0.00 0.00 2.04 3.14 -0.75 -4.66 118.33 116.42 2wrj n VAL 34 Ca 0.14 -0.22 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2wrj n VAL 34 Cb 0.48 0.47 0.00 0.00 -1.06 0.00 0.00 33.84 33.73 2wrj n VAL 34 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 2wrj n GLN 35 N 0.11 0.00 -1.69 1.45 7.27 -1.26 -4.92 117.38 118.34 2wrj n GLN 35 Ca -0.06 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 56.94 2wrj n GLN 35 Cb 0.75 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.42 2wrj n GLN 35 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2wrj n ARG 36 N -0.54 0.83 -3.28 3.69 3.00 -1.26 -2.86 116.66 116.24 2wrj n ARG 36 Ca 0.00 -1.12 -0.24 0.00 -0.01 0.00 0.00 57.85 56.48 2wrj n ARG 36 Cb 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 32.46 32.28 2wrj n ARG 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wrj n ARG 37 N -1.47 0.37 -1.45 5.56 5.12 -0.65 -4.95 116.66 119.19 2wrj n ARG 37 Ca 0.06 -3.08 -0.50 0.00 -1.93 0.00 0.00 57.85 52.40 2wrj n ARG 37 Cb 0.22 -1.52 -0.04 0.00 -1.16 0.00 0.00 32.46 29.95 2wrj n ARG 37 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2wrj n THR 38 N 2.41 1.52 1.07 0.55 -1.04 -1.26 -0.21 114.28 117.31 2wrj n THR 38 Ca 0.26 -0.38 0.09 0.00 -2.04 0.00 0.00 64.05 61.98 2wrj n THR 38 Cb 0.50 -0.15 0.51 0.00 -1.82 0.00 0.00 70.33 69.38 2wrj n THR 38 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wrj n PRO 39 N 1.13 0.50 -0.06 -2.82 -0.04 -1.26 -0.99 135.00 131.47 2wrj n PRO 39 Ca 0.17 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.56 2wrj n PRO 39 Cb 0.22 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 2wrj n PRO 39 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2wrj n GLU 40 N -1.05 0.39 -0.14 0.54 1.02 -1.26 -3.08 120.64 117.05 2wrj n GLU 40 Ca 0.13 0.16 0.04 0.00 -0.02 0.00 0.00 57.16 57.47 2wrj n GLU 40 Cb 0.08 -1.18 0.12 0.00 -0.02 0.00 0.00 31.44 30.44 2wrj n GLU 40 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2wrj n LYS 41 N -4.12 1.64 0.00 3.49 2.85 -1.20 -3.83 118.16 116.98 2wrj n LYS 41 Ca -0.17 -0.96 0.00 0.00 -1.05 0.00 0.00 58.31 56.13 2wrj n LYS 41 Cb 0.47 -1.22 0.00 0.00 -0.65 0.00 0.00 35.03 33.62 2wrj n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2wrj n ASP 42 N 0.28 0.00 -0.28 -5.58 8.00 -0.16 -4.87 116.55 113.94 2wrj n ASP 42 Ca 0.09 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.55 2wrj n ASP 42 Cb 0.24 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2wrj n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wrj n GLY 43 N 0.13 0.67 0.00 0.44 0.00 -0.70 -4.87 105.19 100.85 2wrj n GLY 43 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2wrj n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wrj n TYR 44 N -2.85 0.00 -0.91 1.61 4.11 -1.23 -4.90 117.16 112.99 2wrj n TYR 44 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.86 2wrj n TYR 44 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.48 2wrj n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wrj n THR 45 N 0.00 -3.41 0.00 -3.48 -1.04 0.70 -4.74 114.28 102.32 2wrj n THR 45 Ca 0.00 1.34 0.00 0.00 -2.04 0.00 0.00 64.05 63.35 2wrj n THR 45 Cb 0.00 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 66.51 2wrj n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wrj n ALA 46 N -0.55 0.00 -3.15 2.41 0.00 -1.25 -3.83 120.51 114.14 2wrj n ALA 46 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.39 2wrj n ALA 46 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2wrj n ALA 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wrj n VAL 47 N -1.14 0.00 -3.16 0.00 0.31 -1.19 -1.64 118.33 111.51 2wrj n VAL 47 Ca 0.00 -0.41 0.04 0.00 -0.01 0.00 0.00 64.34 63.95 2wrj n VAL 47 Cb 0.00 -0.77 -0.00 0.00 -0.91 0.00 0.00 33.84 32.16 2wrj n VAL 47 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 2wrj s GLN 48 N -2.53 0.59 0.18 5.55 0.74 -1.13 -3.22 119.66 119.84 2wrj s GLN 48 Ca 0.11 0.40 -0.04 0.00 0.05 0.00 0.00 55.36 55.89 2wrj s GLN 48 Cb -0.01 0.22 -0.05 0.00 1.10 0.00 0.00 33.01 34.27 2wrj s GLN 48 CO 0.07 -1.05 0.41 -0.51 -0.55 0.00 0.00 175.29 173.66 2wrj s LEU 49 N 2.67 4.22 0.24 3.68 2.01 -0.67 -1.82 118.68 129.02 2wrj s LEU 49 Ca 0.12 0.56 0.09 0.00 0.01 0.00 0.00 54.13 54.90 2wrj s LEU 49 Cb -0.09 -3.31 -0.04 0.00 0.01 0.00 0.00 46.19 42.76 2wrj s LEU 49 CO -0.23 -0.01 0.03 -0.83 1.01 0.00 0.00 176.35 176.32 2wrj s GLY 50 N -2.75 1.62 0.00 -3.19 0.00 -0.94 -1.86 107.32 100.21 2wrj s GLY 50 Ca 0.41 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.59 2wrj s GLY 50 CO 0.27 -1.59 0.00 0.33 0.00 0.00 0.00 173.10 172.11 2wrj n PHE 51 N -0.76 0.00 -1.36 1.90 -0.00 -1.17 -3.54 117.46 112.53 2wrj n PHE 51 Ca -0.07 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.13 2wrj n PHE 51 Cb 0.58 0.00 -0.19 0.00 -0.00 0.00 0.00 39.48 39.87 2wrj n PHE 51 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2wrj n LEU 52 N 0.00 -0.96 0.00 -2.13 4.32 -1.26 -4.59 117.00 112.37 2wrj n LEU 52 Ca 0.00 -0.34 0.00 0.00 -0.02 0.00 0.00 56.01 55.65 2wrj n LEU 52 Cb 0.00 -0.57 0.00 0.00 -1.62 0.00 0.00 43.42 41.23 2wrj n LEU 52 CO 0.00 -1.15 0.09 -2.65 -1.22 0.00 0.00 177.39 172.46 2wrj n PRO 53 N 5.65 0.00 0.00 3.23 -0.02 -1.26 1.00 135.00 143.60 2wrj n PRO 53 Ca 0.61 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 62.28 2wrj n PRO 53 Cb 0.10 -0.61 0.00 0.00 -0.02 0.00 0.00 33.50 32.98 2wrj n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wrj n GLN 54 N -0.41 0.00 0.00 -0.52 10.64 -1.26 -3.89 117.38 121.93 2wrj n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2wrj n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 2wrj n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 2wrj n ASN 55 N 0.00 0.00 -2.26 2.61 5.03 -1.26 -3.61 115.26 115.76 2wrj n ASN 55 Ca 0.00 0.00 -0.02 0.00 0.87 0.00 0.00 54.58 55.43 2wrj n ASN 55 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 38.73 2wrj n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 2wrj n PRO 56 N 0.00 0.39 -2.32 3.52 -0.02 -1.26 -4.62 135.00 130.70 2wrj n PRO 56 Ca 0.00 -0.17 -0.00 0.00 -2.02 0.00 0.00 63.50 61.31 2wrj n PRO 56 Cb 0.00 -1.56 -0.00 0.00 -0.02 0.00 0.00 33.50 31.92 2wrj n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2wrj n LYS 57 N 2.64 -4.05 0.00 -0.52 3.00 -1.26 -4.98 118.16 112.99 2wrj n LYS 57 Ca 0.07 2.94 0.00 0.00 -0.00 0.00 0.00 58.31 61.33 2wrj n LYS 57 Cb 0.18 -3.83 0.00 0.00 0.00 0.00 0.00 35.03 31.39 2wrj n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2wrj n ARG 58 N 1.89 0.00 -0.08 1.64 1.74 -1.26 -4.93 116.66 115.67 2wrj n ARG 58 Ca -0.03 -0.10 0.21 0.00 -0.77 0.00 0.00 57.85 57.16 2wrj n ARG 58 Cb 0.04 -0.25 0.66 0.00 -1.02 0.00 0.00 32.46 31.89 2wrj n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wrj h VAL 59 N 1.84 0.70 0.00 1.55 3.04 -1.93 -3.47 116.25 117.98 2wrj h VAL 59 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 2wrj h VAL 59 Cb 0.71 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.60 2wrj h VAL 59 CO 0.00 0.02 0.00 -0.46 -1.01 0.00 0.00 177.57 176.12 2wrj n ASN 60 N -4.38 0.00 -0.13 3.17 0.23 -1.26 -3.42 115.26 109.48 2wrj n ASN 60 Ca 0.13 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.15 2wrj n ASN 60 Cb 0.68 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.35 2wrj n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wrj n ARG 61 N 0.76 -0.13 -2.22 -3.83 0.63 -1.26 -2.50 116.66 108.10 2wrj n ARG 61 Ca 0.00 0.61 -0.43 0.00 -0.92 0.00 0.00 57.85 57.11 2wrj n ARG 61 Cb 0.00 -0.90 0.00 0.00 0.45 0.00 0.00 32.46 32.01 2wrj n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2wrj n PRO 62 N -3.87 3.12 0.23 -0.14 -0.04 -1.22 -4.58 135.00 128.50 2wrj n PRO 62 Ca 0.01 -3.07 0.11 0.00 -0.04 0.00 0.00 63.50 60.51 2wrj n PRO 62 Cb 0.08 -3.29 0.41 0.00 -0.04 0.00 0.00 33.50 30.66 2wrj n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wrj h LEU 63 N 10.57 0.00 -3.02 1.53 6.46 -1.69 -3.47 115.31 125.70 2wrj h LEU 63 Ca 0.48 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 58.18 2wrj h LEU 63 Cb 0.74 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.67 2wrj h LEU 63 CO 1.65 0.15 -0.12 1.17 -0.62 0.00 0.00 178.44 180.67 2wrj n LYS 64 N -3.23 -0.67 -0.08 1.25 4.81 -1.26 -4.62 118.16 114.35 2wrj n LYS 64 Ca 0.01 -0.26 0.02 0.00 -0.87 0.00 0.00 58.31 57.22 2wrj n LYS 64 Cb 0.45 0.27 0.07 0.00 0.02 0.00 0.00 35.03 35.84 2wrj n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wrj n GLY 65 N -0.90 -0.18 0.00 3.14 0.00 -1.26 -4.36 105.19 101.64 2wrj n GLY 65 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wrj n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wrj n HIS 66 N -0.03 0.00 -3.81 1.61 -0.00 -1.26 -4.34 115.22 107.39 2wrj n HIS 66 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 2wrj n HIS 66 Cb 0.15 -0.05 -0.11 0.00 -0.00 0.00 0.00 29.99 29.98 2wrj n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wrj s PHE 67 N -1.91 -0.18 0.00 1.57 5.99 -1.26 -5.08 117.98 117.11 2wrj s PHE 67 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 56.93 57.35 2wrj s PHE 67 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 43.02 43.08 2wrj s PHE 67 CO 0.00 -0.17 0.63 0.00 -0.00 0.00 0.00 175.22 175.68 2wrj n ALA 68 N 2.52 0.00 0.00 11.12 0.00 -1.26 0.13 120.51 133.02 2wrj n ALA 68 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2wrj n ALA 68 Cb 0.58 0.32 0.00 0.00 0.00 0.00 0.00 19.45 20.34 2wrj n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wrj n LYS 69 N -2.33 0.00 -0.20 0.00 4.01 -1.26 -3.31 118.16 115.06 2wrj n LYS 69 Ca 0.00 0.12 0.19 0.00 -0.51 0.00 0.00 58.31 58.11 2wrj n LYS 69 Cb 0.00 -1.72 0.35 0.00 -0.51 0.00 0.00 35.03 33.15 2wrj n LYS 69 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2wrj n ALA 70 N -1.02 0.63 -0.48 7.82 0.00 0.12 -4.61 120.51 122.97 2wrj n ALA 70 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2wrj n ALA 70 Cb 0.22 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.08 2wrj n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrj n GLY 71 N -1.18 0.00 3.16 0.00 0.00 -1.21 -1.80 105.19 104.16 2wrj n GLY 71 Ca 0.22 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.24 2wrj n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wrj n VAL 72 N -0.08 -2.21 -0.83 1.61 0.31 -1.26 -4.78 118.33 111.09 2wrj n VAL 72 Ca 0.00 0.49 -0.27 0.00 -0.01 0.00 0.00 64.34 64.55 2wrj n VAL 72 Cb 0.00 -3.07 0.02 0.00 -0.91 0.00 0.00 33.84 29.88 2wrj n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wrj n GLU 73 N 1.42 0.00 -2.80 5.55 4.71 -0.75 -4.76 120.64 124.01 2wrj n GLU 73 Ca -0.00 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.79 2wrj n GLU 73 Cb 0.43 -0.72 -0.07 0.00 -1.01 0.00 0.00 31.44 30.08 2wrj n GLU 73 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2wrj s PRO 74 N -0.99 4.45 0.01 3.49 0.04 -1.25 -4.59 135.00 136.16 2wrj s PRO 74 Ca 0.36 1.24 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 2wrj s PRO 74 Cb -0.27 -2.56 -0.01 0.00 0.04 0.00 0.00 34.50 31.70 2wrj s PRO 74 CO 0.52 0.16 1.04 0.28 0.04 0.00 0.00 177.00 179.04 2wrj h VAL 75 N 2.34 0.00 -0.88 -0.36 2.07 0.58 -3.24 116.25 116.76 2wrj h VAL 75 Ca -0.48 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 66.73 2wrj h VAL 75 Cb 1.19 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2wrj h VAL 75 CO 0.63 0.00 0.79 -0.60 0.02 0.00 0.00 177.57 178.42 2wrj s ARG 76 N -3.18 2.52 0.00 1.57 3.52 -1.26 -4.91 118.95 117.21 2wrj s ARG 76 Ca -0.01 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.46 2wrj s ARG 76 Cb 0.01 -4.96 0.00 0.00 -1.56 0.00 0.00 34.95 28.44 2wrj s ARG 76 CO 0.04 -3.33 0.00 -0.89 -0.81 0.00 0.00 175.30 170.31 2wrj n ILE 77 N 7.83 0.00 -3.64 4.11 2.08 -1.23 -3.16 119.36 125.35 2wrj n ILE 77 Ca 0.38 0.00 -0.02 0.00 0.56 0.00 0.00 62.75 63.66 2wrj n ILE 77 Cb 0.47 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.32 2wrj n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2wrj s LEU 78 N 0.00 -0.05 0.22 1.39 0.05 -1.26 -3.07 118.68 115.96 2wrj s LEU 78 Ca 0.00 0.06 0.04 0.00 0.05 0.00 0.00 54.13 54.28 2wrj s LEU 78 Cb 0.00 1.12 -0.05 0.00 -2.05 0.00 0.00 46.19 45.21 2wrj s LEU 78 CO 0.00 -0.05 -0.04 -0.13 -0.55 0.00 0.00 176.35 175.58 2wrj s ARG 79 N -0.99 1.30 0.75 1.48 3.00 -0.78 -4.93 118.95 118.78 2wrj s ARG 79 Ca 0.08 -1.63 -0.03 0.00 0.00 0.00 0.00 55.73 54.15 2wrj s ARG 79 Cb -0.01 -0.70 0.13 0.00 0.00 0.00 0.00 34.95 34.37 2wrj s ARG 79 CO -0.08 -0.03 1.03 -1.21 0.00 0.00 0.00 175.30 175.02 2wrj s GLU 80 N -3.81 1.58 -0.03 3.54 2.02 -1.26 -1.67 118.70 119.06 2wrj s GLU 80 Ca 0.26 -0.97 0.05 0.00 0.02 0.00 0.00 54.97 54.32 2wrj s GLU 80 Cb 0.04 -2.26 0.07 0.00 0.10 0.00 0.00 34.13 32.09 2wrj s GLU 80 CO 0.07 -1.55 0.93 -0.89 0.02 0.00 0.00 175.26 173.84 2wrj n ILE 81 N -2.95 0.62 -1.21 -1.63 2.08 -1.20 -4.90 119.36 110.16 2wrj n ILE 81 Ca 0.15 -0.71 0.00 0.00 0.56 0.00 0.00 62.75 62.74 2wrj n ILE 81 Cb 0.60 0.42 0.00 0.00 -0.75 0.00 0.00 39.64 39.91 2wrj n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2wrj n ARG 82 N -0.44 0.00 -1.16 0.38 3.00 -1.26 -4.26 116.66 112.93 2wrj n ARG 82 Ca 0.04 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.56 2wrj n ARG 82 Cb 0.58 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.93 2wrj n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2wrj n ASP 83 N -3.76 0.26 0.00 6.15 10.43 -1.25 -3.73 116.55 124.65 2wrj n ASP 83 Ca 0.00 0.17 0.00 0.00 2.57 0.00 0.00 54.79 57.53 2wrj n ASP 83 Cb 0.00 -0.72 0.00 0.00 1.84 0.00 0.00 41.12 42.24 2wrj n ASP 83 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 2wrj n PHE 84 N 8.02 0.00 -3.14 1.24 -0.00 -1.26 -1.93 117.46 120.39 2wrj n PHE 84 Ca 0.51 0.00 0.03 0.00 -0.00 0.00 0.00 57.45 57.99 2wrj n PHE 84 Cb 0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 39.50 2wrj n PHE 84 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.76 177.97 2wrj s ASN 85 N 0.00 -1.35 0.00 -2.13 3.84 -1.26 -3.18 114.94 110.86 2wrj s ASN 85 Ca 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 52.86 52.95 2wrj s ASN 85 Cb 0.00 1.80 0.00 0.00 -0.55 0.00 0.00 41.25 42.50 2wrj s ASN 85 CO 0.00 -0.22 0.00 -0.81 -2.79 0.00 0.00 177.10 173.28 2wrj n PRO 86 N 4.98 2.26 -2.93 0.43 -0.04 -1.26 -4.95 135.00 133.50 2wrj n PRO 86 Ca 0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.23 2wrj n PRO 86 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 2wrj n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wrj n GLU 87 N 0.00 3.64 -0.56 0.54 0.28 -1.26 -4.97 120.64 118.31 2wrj n GLU 87 Ca 0.00 -4.81 0.00 0.00 -0.16 0.00 0.00 57.16 52.19 2wrj n GLU 87 Cb 0.00 -2.29 0.00 0.00 1.43 0.00 0.00 31.44 30.58 2wrj n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wrj n GLY 88 N -0.08 0.00 2.64 -1.84 0.00 -1.26 -4.64 105.19 100.00 2wrj n GLY 88 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.25 2wrj n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wrj n ASP 89 N 0.13 -1.90 -1.84 1.61 2.03 -1.26 -4.99 116.55 110.34 2wrj n ASP 89 Ca 0.00 -3.52 0.00 0.00 0.52 0.00 0.00 54.79 51.79 2wrj n ASP 89 Cb 0.00 1.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.88 2wrj n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wrj n THR 90 N 0.57 -6.97 -2.98 5.18 -1.04 -1.26 -4.88 114.28 102.90 2wrj n THR 90 Ca 0.10 1.94 -0.40 0.00 -2.04 0.00 0.00 64.05 63.65 2wrj n THR 90 Cb 0.68 -3.13 -0.05 0.00 -1.82 0.00 0.00 70.33 66.01 2wrj n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wrj s VAL 91 N -0.62 4.85 0.00 12.58 1.01 0.49 -4.85 120.40 133.86 2wrj s VAL 91 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 61.98 63.58 2wrj s VAL 91 Cb 0.00 -4.10 0.00 0.00 0.00 0.00 0.00 36.38 32.28 2wrj s VAL 91 CO 0.00 0.31 0.00 0.35 0.00 0.00 0.00 175.10 175.76 2wrj n THR 92 N 3.21 0.00 0.00 3.92 -2.24 -1.26 -0.58 114.28 117.33 2wrj n THR 92 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2wrj n THR 92 Cb 0.51 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 2wrj n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wrj n VAL 93 N 0.00 0.00 0.19 2.28 0.31 -1.26 -4.67 118.33 115.18 2wrj n VAL 93 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2wrj n VAL 93 Cb 0.00 -0.32 0.28 0.00 -0.91 0.00 0.00 33.84 32.89 2wrj n VAL 93 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2wrj h GLU 94 N 0.00 0.00 -0.84 5.55 3.07 -1.98 0.49 114.58 120.87 2wrj h GLU 94 Ca 0.00 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 58.93 2wrj h GLU 94 Cb 0.44 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 2wrj h GLU 94 CO 0.00 0.00 0.51 0.82 -1.40 0.00 0.00 179.01 178.94 2wrj h ILE 95 N 0.00 1.01 -3.50 3.13 1.08 -2.00 -3.38 117.51 113.85 2wrj h ILE 95 Ca 0.00 -0.32 -0.72 0.00 -0.39 0.00 0.00 64.86 63.43 2wrj h ILE 95 Cb 0.93 0.01 -0.21 0.00 -3.07 0.00 0.00 36.82 34.47 2wrj h ILE 95 CO 0.00 0.17 -0.43 -0.36 -0.69 0.00 0.00 178.15 176.84 2wrj s PHE 96 N -6.06 3.24 0.10 1.37 0.08 0.17 -5.07 117.98 111.81 2wrj s PHE 96 Ca -0.13 -0.60 -0.25 0.00 0.12 0.00 0.00 56.93 56.07 2wrj s PHE 96 Cb 0.18 -2.60 -0.07 0.00 -0.57 0.00 0.00 43.02 39.97 2wrj s PHE 96 CO 0.79 -0.60 0.76 0.15 -0.10 0.00 0.00 175.22 176.23 2wrj s LYS 97 N 1.68 4.51 -0.44 0.44 1.02 -1.26 -4.78 119.74 120.91 2wrj s LYS 97 Ca 0.05 1.09 -0.32 0.00 0.02 0.00 0.00 55.97 56.81 2wrj s LYS 97 Cb -0.19 -3.32 -0.11 0.00 -0.52 0.00 0.00 37.83 33.69 2wrj s LYS 97 CO 0.10 0.42 2.30 -2.30 -0.92 0.00 0.00 175.35 174.94 2wrj n PRO 98 N 2.25 1.01 0.00 -1.68 -0.02 -1.26 -2.61 135.00 132.69 2wrj n PRO 98 Ca -0.04 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2wrj n PRO 98 Cb 0.50 -2.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 2wrj n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wrj n GLY 99 N 6.39 3.63 3.54 -1.23 0.00 -0.64 -4.98 105.19 111.90 2wrj n GLY 99 Ca 0.43 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2wrj n GLY 99 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wrj n GLU 100 N 0.00 -0.32 -4.15 1.61 1.02 -1.07 -4.51 120.64 113.22 2wrj n GLU 100 Ca 0.00 -0.04 -0.35 0.00 -0.02 0.00 0.00 57.16 56.75 2wrj n GLU 100 Cb 0.00 -2.11 -0.09 0.00 -0.02 0.00 0.00 31.44 29.23 2wrj n GLU 100 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2wrj s ARG 101 N -4.06 3.43 0.20 3.49 1.81 -1.26 -2.67 118.95 119.89 2wrj s ARG 101 Ca 0.62 -0.33 0.07 0.00 -1.72 0.00 0.00 55.73 54.37 2wrj s ARG 101 Cb -0.23 -3.02 -0.05 0.00 -0.45 0.00 0.00 34.95 31.20 2wrj s ARG 101 CO 0.62 0.57 -0.12 0.14 -0.68 0.00 0.00 175.30 175.83 2wrj s VAL 102 N -0.47 1.55 -0.26 3.52 -7.23 0.15 -1.67 120.40 115.99 2wrj s VAL 102 Ca 0.10 -2.16 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 2wrj s VAL 102 Cb -0.12 -2.04 0.05 0.00 0.56 0.00 0.00 36.38 34.83 2wrj s VAL 102 CO 0.02 -0.60 -0.08 -1.81 -0.31 0.00 0.00 175.10 172.32 2wrj s ASP 103 N -3.29 4.46 -0.26 4.85 1.01 0.25 -0.04 116.67 123.65 2wrj s ASP 103 Ca 0.22 -1.25 -0.11 0.00 0.71 0.00 0.00 52.55 52.12 2wrj s ASP 103 Cb 0.01 -1.60 -0.05 0.00 1.01 0.00 0.00 42.92 42.28 2wrj s ASP 103 CO 0.06 -0.19 0.18 -0.69 0.21 0.00 0.00 175.17 174.74 2wrj s VAL 104 N 1.18 5.33 0.10 -1.27 1.01 -0.94 -2.34 120.40 123.47 2wrj s VAL 104 Ca -0.06 0.18 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 2wrj s VAL 104 Cb -0.19 -3.52 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2wrj s VAL 104 CO -0.04 0.29 0.27 -0.89 0.00 0.00 0.00 175.10 174.72 2wrj s THR 105 N 1.45 5.32 0.04 3.92 2.01 -0.80 -2.89 115.64 124.69 2wrj s THR 105 Ca 0.07 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.72 2wrj s THR 105 Cb -0.15 -3.65 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2wrj s THR 105 CO 0.08 0.07 0.13 0.61 -0.69 0.00 0.00 174.62 174.82 2wrj n GLY 106 N 0.08 1.42 3.14 4.40 0.00 -0.18 -2.29 105.19 111.76 2wrj n GLY 106 Ca -0.05 -0.98 -0.35 0.00 0.00 0.00 0.00 46.02 44.64 2wrj n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wrj s THR 107 N -2.63 3.12 -0.02 2.61 2.01 -1.25 -1.65 115.64 117.83 2wrj s THR 107 Ca 0.03 -1.79 -0.38 0.00 0.31 0.00 0.00 61.69 59.86 2wrj s THR 107 Cb -0.00 -3.01 -0.17 0.00 0.01 0.00 0.00 72.50 69.33 2wrj s THR 107 CO 0.01 -0.44 1.40 -1.54 -0.69 0.00 0.00 174.62 173.36 2wrj n SER 108 N 4.59 1.60 -4.54 3.53 3.41 -0.39 -2.82 113.62 119.00 2wrj n SER 108 Ca -0.06 1.12 -0.52 0.00 -0.26 0.00 0.00 58.87 59.14 2wrj n SER 108 Cb 0.42 -1.14 -0.05 0.00 -0.26 0.00 0.00 64.21 63.18 2wrj n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2wrj n LYS 109 N 3.04 0.73 -2.69 4.33 5.02 -1.26 0.60 118.16 127.93 2wrj n LYS 109 Ca 0.21 0.26 -0.43 0.00 -2.02 0.00 0.00 58.31 56.33 2wrj n LYS 109 Cb 0.16 -1.75 -0.03 0.00 -0.02 0.00 0.00 35.03 33.40 2wrj n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wrj s GLY 110 N 0.01 1.50 0.00 0.72 0.00 -1.26 -2.84 107.32 105.45 2wrj s GLY 110 Ca 0.80 -0.30 0.29 0.00 0.00 0.00 0.00 44.72 45.50 2wrj s GLY 110 CO 0.53 2.21 1.88 0.54 0.00 0.00 0.00 173.10 178.26 2wrj n ARG 111 N 7.07 0.49 0.00 2.90 1.74 -0.46 -4.79 116.66 123.61 2wrj n ARG 111 Ca 0.10 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 57.05 2wrj n ARG 111 Cb 0.48 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2wrj n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrj n GLY 112 N 1.32 -1.52 3.56 -0.13 0.00 -1.19 -4.40 105.19 102.82 2wrj n GLY 112 Ca 0.13 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 2wrj n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2wrj s PHE 113 N 0.00 1.85 -0.09 1.61 5.99 -1.26 -1.39 117.98 124.69 2wrj s PHE 113 Ca 0.00 0.52 -0.13 0.00 0.00 0.00 0.00 56.93 57.32 2wrj s PHE 113 Cb 0.00 -4.13 -0.05 0.00 0.00 0.00 0.00 43.02 38.84 2wrj s PHE 113 CO 0.00 -1.89 0.31 0.00 -0.00 0.00 0.00 175.22 173.64 2wrj s ALA 114 N 9.30 3.68 0.66 11.12 0.00 -0.66 -4.90 121.76 140.97 2wrj s ALA 114 Ca 0.66 -0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.12 2wrj s ALA 114 Cb -0.07 -2.32 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 2wrj s ALA 114 CO 0.03 0.34 1.06 0.20 0.00 0.00 0.00 175.76 177.39 2wrj s GLY 115 N -0.39 1.65 0.58 0.00 0.00 -1.26 -2.22 107.32 105.67 2wrj s GLY 115 Ca 0.19 -0.18 -0.19 0.00 0.00 0.00 0.00 44.72 44.54 2wrj s GLY 115 CO 0.08 0.14 1.03 1.55 0.00 0.00 0.00 173.10 175.90 2wrj n VAL 116 N -2.88 3.68 -1.84 1.40 3.14 -1.26 -1.29 118.33 119.27 2wrj n VAL 116 Ca 0.06 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2wrj n VAL 116 Cb 0.55 -1.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.10 2wrj n VAL 116 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2wrj n MET 117 N -0.96 0.00 0.00 1.45 0.00 -1.26 -4.60 117.12 111.74 2wrj n MET 117 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.83 2wrj n MET 117 Cb 0.46 -1.87 0.00 0.00 0.00 0.00 0.00 33.22 31.82 2wrj n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wrj n LYS 118 N -0.38 0.00 0.09 2.12 0.00 -1.10 -4.58 118.16 114.30 2wrj n LYS 118 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.16 2wrj n LYS 118 Cb 0.37 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.26 2wrj n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wrj h ARG 119 N 0.00 0.22 0.00 1.64 1.12 -1.45 -3.38 114.38 112.54 2wrj h ARG 119 Ca 0.00 -0.38 0.00 0.00 -1.11 0.00 0.00 59.98 58.49 2wrj h ARG 119 Cb 0.00 0.14 0.00 0.00 -0.01 0.00 0.00 29.97 30.10 2wrj h ARG 119 CO 0.00 1.16 -0.31 0.91 -3.11 0.00 0.00 179.97 178.62 2wrj n TRP 120 N -3.48 0.00 -3.58 2.20 7.02 -1.26 -5.01 117.44 113.32 2wrj n TRP 120 Ca -0.09 -0.06 -0.32 0.00 -1.02 0.00 0.00 57.50 56.01 2wrj n TRP 120 Cb 1.02 -0.04 0.02 0.00 -2.42 0.00 0.00 31.31 29.89 2wrj n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2wrj n ASN 121 N -0.08 -5.39 -4.19 -0.99 4.13 -1.26 -4.64 115.26 102.83 2wrj n ASN 121 Ca 0.01 -0.42 -0.17 0.00 1.68 0.00 0.00 54.58 55.68 2wrj n ASN 121 Cb 0.62 -1.85 0.08 0.00 -1.54 0.00 0.00 39.78 37.09 2wrj n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2wrj n PHE 122 N -1.08 -2.75 -0.08 3.10 3.01 -1.26 -4.78 117.46 113.62 2wrj n PHE 122 Ca -0.16 -1.55 -0.20 0.00 1.01 0.00 0.00 57.45 56.55 2wrj n PHE 122 Cb 0.68 -0.52 -0.12 0.00 -0.01 0.00 0.00 39.48 39.51 2wrj n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wrj h ALA 123 N -0.22 0.21 -0.26 4.37 0.00 -1.92 -3.44 119.26 118.00 2wrj h ALA 123 Ca -0.24 -1.06 0.00 0.00 0.00 0.00 0.00 54.91 53.61 2wrj h ALA 123 Cb 0.99 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2wrj h ALA 123 CO 0.30 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.55 2wrj n GLY 124 N 1.51 0.59 3.57 0.00 0.00 -1.26 -4.91 105.19 104.69 2wrj n GLY 124 Ca -0.27 -0.87 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 2wrj n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wrj n GLY 125 N 0.00 3.41 3.74 -0.02 0.00 -0.61 -4.90 105.19 106.82 2wrj n GLY 125 Ca 0.00 -2.27 -0.41 0.00 0.00 0.00 0.00 46.02 43.35 2wrj n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wrj s PRO 126 N -3.74 4.72 0.55 1.61 0.04 -1.26 -4.87 135.00 132.05 2wrj s PRO 126 Ca 0.09 1.57 0.25 0.00 0.04 0.00 0.00 61.00 62.95 2wrj s PRO 126 Cb 0.00 -3.30 1.46 0.00 0.04 0.00 0.00 34.50 32.70 2wrj s PRO 126 CO 0.06 0.28 2.05 -0.44 0.04 0.00 0.00 177.00 179.00 2wrj h ASP 127 N 4.80 0.00 0.00 6.66 5.19 -1.94 -3.45 116.42 127.68 2wrj h ASP 127 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 2wrj h ASP 127 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 2wrj h ASP 127 CO 0.70 0.00 0.00 -1.54 -3.12 0.00 0.00 179.24 175.28 2wrj n SER 128 N -4.20 0.00 0.00 6.45 3.41 -1.26 -5.00 113.62 113.02 2wrj n SER 128 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2wrj n SER 128 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2wrj n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wrj n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.56 115.22 124.98 2wrj n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wrj n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wrj n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wrj n GLY 130 N 0.00 -2.19 3.49 -1.41 0.00 -1.26 -4.97 105.19 98.85 2wrj n GLY 130 Ca 0.00 -1.02 -0.28 0.00 0.00 0.00 0.00 46.02 44.72 2wrj n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj s ALA 131 N -2.61 -0.55 0.00 4.61 0.00 -1.26 -4.96 121.76 116.99 2wrj s ALA 131 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 51.78 2wrj s ALA 131 Cb 0.00 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.89 2wrj s ALA 131 CO 0.00 -3.89 0.76 1.58 0.00 0.00 0.00 175.76 174.21 2wrj n HIS 132 N -4.94 0.00 -2.40 0.00 -0.00 -1.26 -4.76 115.22 101.85 2wrj n HIS 132 Ca 0.03 -0.28 -0.25 0.00 0.46 0.00 0.00 57.72 57.67 2wrj n HIS 132 Cb 0.54 -0.03 0.01 0.00 -0.12 0.00 0.00 29.99 30.39 2wrj n HIS 132 CO 0.00 0.00 0.00 1.17 0.46 0.00 0.00 176.34 177.97 2wrj n LYS 133 N -0.28 3.36 -0.72 1.57 4.81 -1.26 -4.53 118.16 121.10 2wrj n LYS 133 Ca 0.00 -4.38 -0.03 0.00 -0.87 0.00 0.00 58.31 53.02 2wrj n LYS 133 Cb 0.18 -2.21 -0.03 0.00 0.02 0.00 0.00 35.03 32.98 2wrj n LYS 133 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 2wrj n ILE 134 N -0.51 0.00 -0.32 3.15 -6.64 -1.26 -5.01 119.36 108.77 2wrj n ILE 134 Ca 0.38 0.00 -0.04 0.00 -1.77 0.00 0.00 62.75 61.33 2wrj n ILE 134 Cb 0.73 0.25 0.08 0.00 -1.44 0.00 0.00 39.64 39.26 2wrj n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 2wrj h HIS 135 N 0.00 1.11 -0.03 4.28 3.86 -1.87 -3.17 115.15 119.33 2wrj h HIS 135 Ca -0.28 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 58.93 2wrj h HIS 135 Cb 1.10 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 2wrj h HIS 135 CO -0.20 0.73 -0.10 0.54 0.86 0.00 0.00 177.93 179.77 2wrj n ARG 136 N -4.44 1.46 -2.42 2.45 1.74 -1.26 -1.57 116.66 112.61 2wrj n ARG 136 Ca 0.09 -2.75 -0.32 0.00 -0.77 0.00 0.00 57.85 54.10 2wrj n ARG 136 Cb 0.04 -1.55 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 2wrj n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wrj s HIS 137 N -2.95 3.33 0.26 -1.55 3.76 -1.20 -4.82 115.29 112.12 2wrj s HIS 137 Ca 0.34 1.50 0.04 0.00 -0.15 0.00 0.00 55.06 56.79 2wrj s HIS 137 Cb 0.30 -2.85 0.35 0.00 1.11 0.00 0.00 32.58 31.49 2wrj s HIS 137 CO 0.01 -0.47 1.65 -1.00 -0.85 0.00 0.00 174.74 174.08 2wrj h PRO 138 N 1.04 0.35 0.00 8.40 0.13 -1.94 -3.36 132.00 136.63 2wrj h PRO 138 Ca -0.47 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 2wrj h PRO 138 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wrj h PRO 138 CO 0.61 0.72 0.00 0.41 -0.23 0.00 0.00 178.00 179.50 2wrj n GLY 139 N -0.08 0.53 3.77 1.56 0.00 -1.26 -4.87 105.19 104.84 2wrj n GLY 139 Ca -0.02 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.61 2wrj n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wrj s SER 140 N -4.00 4.98 0.00 1.61 0.15 -1.26 -4.98 113.70 110.20 2wrj s SER 140 Ca 0.00 2.02 0.00 0.00 0.70 0.00 0.00 55.95 58.67 2wrj s SER 140 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2wrj s SER 140 CO 0.00 -1.72 0.89 2.30 1.20 0.00 0.00 173.24 175.91 2wrj n ILE 141 N -2.53 0.00 -2.66 6.45 -5.35 -1.26 -5.14 119.36 108.87 2wrj n ILE 141 Ca 0.11 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.58 2wrj n ILE 141 Cb 0.52 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.81 2wrj n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wrj n GLY 142 N 0.00 -0.58 0.68 3.28 0.00 -1.26 -4.68 105.19 102.63 2wrj n GLY 142 Ca -0.00 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.35 2wrj n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wrj n ASN 143 N 0.00 1.80 0.00 1.61 5.03 -1.26 -5.15 115.26 117.29 2wrj n ASN 143 Ca 0.00 -1.42 0.00 0.00 0.87 0.00 0.00 54.58 54.03 2wrj n ASN 143 Cb 0.00 0.12 0.00 0.00 -1.02 0.00 0.00 39.78 38.88 2wrj n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wrj n ARG 144 N -0.22 0.00 0.00 3.52 5.12 -1.26 -4.83 116.66 119.00 2wrj n ARG 144 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2wrj n ARG 144 Cb 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.42 2wrj n ARG 144 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2wrj n LYS 145 N 0.00 0.00 -1.64 5.56 4.76 -1.26 -3.91 118.16 121.67 2wrj n LYS 145 Ca 0.00 0.00 -0.63 0.00 -2.87 0.00 0.00 58.31 54.81 2wrj n LYS 145 Cb 0.00 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.10 2wrj n LYS 145 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2wrj n THR 146 N 0.00 0.02 -0.06 -0.18 -2.24 -1.26 0.21 114.28 110.77 2wrj n THR 146 Ca 0.00 -0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.68 2wrj n THR 146 Cb 0.00 -0.36 0.06 0.00 -2.10 0.00 0.00 70.33 67.93 2wrj n THR 146 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2wrj h PRO 147 N 4.32 0.74 0.00 -0.78 0.13 -1.91 -3.46 132.00 131.03 2wrj h PRO 147 Ca -0.47 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 2wrj h PRO 147 Cb 1.39 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 2wrj h PRO 147 CO 0.84 0.98 0.00 0.41 -0.23 0.00 0.00 178.00 180.00 2wrj n GLY 148 N -0.01 0.03 0.00 1.56 0.00 0.58 -5.03 105.19 102.30 2wrj n GLY 148 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wrj n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wrj n ARG 149 N -1.99 3.41 -4.50 1.61 1.85 -1.26 -5.04 116.66 110.74 2wrj n ARG 149 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 57.85 56.63 2wrj n ARG 149 Cb 0.00 0.00 -0.16 0.00 -1.05 0.00 0.00 32.46 31.25 2wrj n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wrj s VAL 150 N 1.04 0.94 0.28 8.89 1.01 -1.26 -4.72 120.40 126.58 2wrj s VAL 150 Ca 0.00 -0.45 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2wrj s VAL 150 Cb 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 36.38 35.43 2wrj s VAL 150 CO 0.00 0.29 1.39 -1.22 0.00 0.00 0.00 175.10 175.55 2wrj n TYR 151 N 3.25 2.28 -1.24 5.22 4.01 -1.26 -4.95 117.16 124.47 2wrj n TYR 151 Ca -0.18 0.45 -0.31 0.00 -0.16 0.00 0.00 57.90 57.70 2wrj n TYR 151 Cb 0.54 -2.46 0.10 0.00 -0.31 0.00 0.00 39.34 37.21 2wrj n TYR 151 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 2wrj s LYS 152 N -0.91 1.99 -1.17 -0.72 2.47 -1.26 -3.47 119.74 116.66 2wrj s LYS 152 Ca 0.63 1.08 -0.18 0.00 -1.56 0.00 0.00 55.97 55.94 2wrj s LYS 152 Cb -0.60 -1.87 -0.01 0.00 -1.46 0.00 0.00 37.83 33.88 2wrj s LYS 152 CO 0.54 -1.81 0.76 0.41 0.16 0.00 0.00 175.35 175.41 2wrj n GLY 153 N -1.18 -0.89 3.91 5.54 0.00 -1.26 -4.95 105.19 106.35 2wrj n GLY 153 Ca 0.09 0.42 -0.32 0.00 0.00 0.00 0.00 46.02 46.20 2wrj n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wrj s LYS 154 N -6.01 3.53 -0.47 1.61 2.47 -1.23 -5.04 119.74 114.60 2wrj s LYS 154 Ca 0.41 -0.25 -0.29 0.00 -1.56 0.00 0.00 55.97 54.28 2wrj s LYS 154 Cb -0.15 -2.97 0.03 0.00 -1.46 0.00 0.00 37.83 33.29 2wrj s LYS 154 CO 0.86 0.56 1.11 0.15 0.16 0.00 0.00 175.35 178.19 2wrj s LYS 155 N -2.47 3.72 0.30 4.03 1.02 -1.26 -4.98 119.74 120.10 2wrj s LYS 155 Ca 0.36 0.55 0.04 0.00 0.02 0.00 0.00 55.97 56.94 2wrj s LYS 155 Cb -0.13 -3.90 -0.04 0.00 -0.52 0.00 0.00 37.83 33.25 2wrj s LYS 155 CO 0.25 -1.34 0.18 -1.64 -0.92 0.00 0.00 175.35 171.88 2wrj s MET 156 N 4.35 1.60 0.52 1.68 -1.94 -1.26 -5.07 119.30 119.18 2wrj s MET 156 Ca 0.47 -1.92 -0.21 0.00 -1.71 0.00 0.00 55.69 52.32 2wrj s MET 156 Cb -0.08 0.03 -0.06 0.00 2.01 0.00 0.00 34.83 36.74 2wrj s MET 156 CO 0.30 -0.50 1.17 0.00 -0.01 0.00 0.00 175.02 175.99 2wrj s ALA 157 N -3.62 2.79 0.00 3.03 0.00 -1.26 -4.67 121.76 118.03 2wrj s ALA 157 Ca 0.37 0.93 0.00 0.00 0.00 0.00 0.00 51.96 53.25 2wrj s ALA 157 Cb 0.04 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2wrj s ALA 157 CO 0.19 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.54 2wrj n GLY 158 N 0.36 -0.69 3.68 0.00 0.00 -0.94 -4.95 105.19 102.64 2wrj n GLY 158 Ca 0.10 -1.16 -0.44 0.00 0.00 0.00 0.00 46.02 44.52 2wrj n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wrj n HIS 159 N -0.55 2.21 -3.70 1.61 -0.00 -1.26 -1.65 115.22 111.88 2wrj n HIS 159 Ca 0.00 0.46 -0.13 0.00 -0.00 0.00 0.00 57.72 58.04 2wrj n HIS 159 Cb 0.00 -2.45 -0.13 0.00 -0.00 0.00 0.00 29.99 27.40 2wrj n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 2wrj s TYR 160 N -0.32 -0.33 0.00 1.57 6.14 -0.48 -4.82 117.35 119.11 2wrj s TYR 160 Ca 0.65 0.80 0.00 0.00 0.64 0.00 0.00 57.07 59.15 2wrj s TYR 160 Cb -0.62 -0.02 0.00 0.00 0.42 0.00 0.00 41.96 41.74 2wrj s TYR 160 CO 0.53 -0.27 0.00 0.41 0.64 0.00 0.00 175.55 176.86 2wrj n GLY 161 N 4.66 0.25 3.24 8.97 0.00 -1.26 -1.36 105.19 119.69 2wrj n GLY 161 Ca -0.18 -2.17 -0.17 0.00 0.00 0.00 0.00 46.02 43.50 2wrj n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n ALA 162 N -0.88 -2.10 -3.46 4.61 0.00 0.20 -4.83 120.51 114.05 2wrj n ALA 162 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2wrj n ALA 162 Cb 0.00 -0.54 0.02 0.00 0.00 0.00 0.00 19.45 18.93 2wrj n ALA 162 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2wrj n GLU 163 N -1.65 0.55 -2.45 0.00 0.28 -1.22 -4.86 120.64 111.29 2wrj n GLU 163 Ca -0.19 -1.11 -0.43 0.00 -0.16 0.00 0.00 57.16 55.27 2wrj n GLU 163 Cb 0.44 1.42 -0.02 0.00 1.43 0.00 0.00 31.44 34.70 2wrj n GLU 163 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2wrj s ARG 164 N -2.04 3.61 0.08 3.44 3.52 -1.26 -1.26 118.95 125.03 2wrj s ARG 164 Ca 0.10 0.76 0.09 0.00 -0.13 0.00 0.00 55.73 56.54 2wrj s ARG 164 Cb -0.02 -3.99 -0.03 0.00 -1.56 0.00 0.00 34.95 29.35 2wrj s ARG 164 CO 0.06 -1.53 -0.23 0.08 -0.81 0.00 0.00 175.30 172.86 2wrj s VAL 165 N 5.12 1.92 -0.45 7.11 1.01 -0.66 -4.98 120.40 129.46 2wrj s VAL 165 Ca 0.56 -1.44 0.08 0.00 0.00 0.00 0.00 61.98 61.17 2wrj s VAL 165 Cb -0.11 -1.68 0.27 0.00 0.00 0.00 0.00 36.38 34.86 2wrj s VAL 165 CO 0.32 0.16 0.62 0.41 0.00 0.00 0.00 175.10 176.61 2wrj n THR 166 N 1.46 0.23 -1.64 3.92 -1.04 -1.26 -1.02 114.28 114.93 2wrj n THR 166 Ca -0.18 -4.43 -0.50 0.00 -2.04 0.00 0.00 64.05 56.90 2wrj n THR 166 Cb 0.53 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.27 2wrj n THR 166 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2wrj n VAL 167 N 1.04 0.08 -3.74 12.58 3.14 -1.14 -4.78 118.33 125.51 2wrj n VAL 167 Ca 0.24 -0.01 -0.21 0.00 -2.96 0.00 0.00 64.34 61.40 2wrj n VAL 167 Cb 0.52 -1.20 -0.03 0.00 -1.06 0.00 0.00 33.84 32.07 2wrj n VAL 167 CO 0.00 0.00 0.00 -0.04 -6.46 0.00 0.00 176.83 170.33 2wrj s MET 168 N 1.22 2.73 -1.64 1.45 1.00 -1.26 -2.23 119.30 120.57 2wrj s MET 168 Ca 0.84 -1.31 0.00 0.00 0.00 0.00 0.00 55.69 55.23 2wrj s MET 168 Cb -0.85 -2.49 0.00 0.00 0.00 0.00 0.00 34.83 31.49 2wrj s MET 168 CO 0.46 0.05 0.00 -1.71 0.00 0.00 0.00 175.02 173.81 2wrj n ASN 169 N -1.43 -4.14 -4.69 3.03 5.15 -0.68 -4.92 115.26 107.58 2wrj n ASN 169 Ca -0.01 0.37 -0.35 0.00 -0.60 0.00 0.00 54.58 54.00 2wrj n ASN 169 Cb 0.60 -3.77 0.10 0.00 -0.53 0.00 0.00 39.78 36.18 2wrj n ASN 169 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wrj n LEU 170 N -2.08 4.79 -4.82 1.20 4.32 0.94 -4.45 117.00 116.91 2wrj n LEU 170 Ca -0.16 0.67 -0.37 0.00 -0.02 0.00 0.00 56.01 56.14 2wrj n LEU 170 Cb 0.52 -1.51 -0.07 0.00 -1.62 0.00 0.00 43.42 40.75 2wrj n LEU 170 CO 0.24 -1.53 -0.12 -0.70 -1.22 0.00 0.00 177.39 174.06 2wrj s GLU 171 N -3.77 3.79 -0.37 3.23 2.12 -1.26 -0.67 118.70 121.77 2wrj s GLU 171 Ca 0.76 -0.05 -0.27 0.00 0.36 0.00 0.00 54.97 55.77 2wrj s GLU 171 Cb -0.33 -3.28 0.02 0.00 0.26 0.00 0.00 34.13 30.80 2wrj s GLU 171 CO 0.47 0.58 1.00 0.08 -0.54 0.00 0.00 175.26 176.86 2wrj s VAL 172 N -0.50 4.50 0.01 3.70 1.01 -1.09 -2.13 120.40 125.90 2wrj s VAL 172 Ca 0.15 1.36 -0.16 0.00 0.00 0.00 0.00 61.98 63.32 2wrj s VAL 172 Cb -0.12 -4.40 -0.35 0.00 0.00 0.00 0.00 36.38 31.51 2wrj s VAL 172 CO 0.04 -0.59 0.95 0.58 0.00 0.00 0.00 175.10 176.08 2wrj h VAL 173 N 5.86 1.28 -1.57 2.92 2.07 -1.56 -1.69 116.25 123.55 2wrj h VAL 173 Ca -0.22 -2.66 0.07 0.00 0.82 0.00 0.00 66.70 64.71 2wrj h VAL 173 Cb 1.07 3.04 -0.26 0.00 -1.52 0.00 0.00 31.29 33.62 2wrj h VAL 173 CO 1.02 0.80 0.48 -0.62 0.02 0.00 0.00 177.57 179.27 2wrj s ASP 174 N -7.47 -0.42 -0.13 0.57 3.68 -1.25 -4.82 116.67 106.83 2wrj s ASP 174 Ca -0.10 0.80 0.02 0.00 2.13 0.00 0.00 52.55 55.39 2wrj s ASP 174 Cb 0.04 0.80 0.01 0.00 -1.45 0.00 0.00 42.92 42.31 2wrj s ASP 174 CO 0.92 -0.16 -0.20 0.54 0.13 0.00 0.00 175.17 176.40 2wrj s VAL 175 N 0.11 1.89 -0.74 1.11 0.11 -1.26 -1.45 120.40 120.17 2wrj s VAL 175 Ca 0.03 -0.88 -0.04 0.00 -2.93 0.00 0.00 61.98 58.16 2wrj s VAL 175 Cb -0.05 -1.68 0.19 0.00 -1.53 0.00 0.00 36.38 33.31 2wrj s VAL 175 CO -0.06 0.52 0.59 -0.63 -3.33 0.00 0.00 175.10 172.19 2wrj s ILE 176 N 0.83 4.12 0.27 7.04 1.01 -0.39 -4.89 121.20 129.17 2wrj s ILE 176 Ca -0.08 -3.24 -0.01 0.00 0.00 0.00 0.00 60.65 57.33 2wrj s ILE 176 Cb -0.16 -3.62 0.25 0.00 0.01 0.00 0.00 42.46 38.94 2wrj s ILE 176 CO -0.01 -0.97 1.78 1.55 0.00 0.00 0.00 174.94 177.29 2wrj h PRO 177 N 6.74 0.67 -0.33 2.79 0.13 -1.95 -0.19 132.00 139.85 2wrj h PRO 177 Ca 0.06 -0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.21 2wrj h PRO 177 Cb 0.91 -0.15 -0.06 0.00 0.13 0.00 0.00 31.00 31.83 2wrj h PRO 177 CO 0.76 0.44 -0.11 -1.91 -0.23 0.00 0.00 178.00 176.96 2wrj n GLU 178 N -4.82 -0.05 0.00 0.86 4.07 -1.26 -0.79 120.64 118.65 2wrj n GLU 178 Ca 0.17 0.52 0.01 0.00 -0.06 0.00 0.00 57.16 57.80 2wrj n GLU 178 Cb 0.42 -0.77 0.00 0.00 -0.06 0.00 0.00 31.44 31.03 2wrj n GLU 178 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2wrj n GLU 179 N -4.52 1.79 -2.35 5.31 4.07 -0.60 -5.02 120.64 119.31 2wrj n GLU 179 Ca 0.04 -0.43 0.00 0.00 -0.06 0.00 0.00 57.16 56.72 2wrj n GLU 179 Cb 0.15 -0.90 0.00 0.00 -0.06 0.00 0.00 31.44 30.64 2wrj n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2wrj n ASN 180 N -0.27 -1.91 -4.58 4.31 3.02 0.03 -4.98 115.26 110.88 2wrj n ASN 180 Ca 0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 2wrj n ASN 180 Cb 0.06 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 38.64 2wrj n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2wrj s LEU 181 N -1.04 3.22 -0.21 3.41 2.01 -0.98 -1.70 118.68 123.39 2wrj s LEU 181 Ca 0.00 -0.02 0.01 0.00 0.01 0.00 0.00 54.13 54.13 2wrj s LEU 181 Cb 0.00 -1.72 0.05 0.00 0.01 0.00 0.00 46.19 44.53 2wrj s LEU 181 CO 0.00 0.34 -0.11 -0.22 1.01 0.00 0.00 176.35 177.37 2wrj s LEU 182 N -0.65 2.52 -0.22 1.79 2.96 -0.27 -1.27 118.68 123.54 2wrj s LEU 182 Ca 0.10 -1.00 -0.14 0.00 -0.22 0.00 0.00 54.13 52.88 2wrj s LEU 182 Cb -0.12 -1.31 -0.04 0.00 0.50 0.00 0.00 46.19 45.22 2wrj s LEU 182 CO 0.02 -0.15 0.31 -0.76 -1.32 0.00 0.00 176.35 174.44 2wrj s LEU 183 N 1.33 4.14 0.24 -0.68 1.02 -0.53 -2.16 118.68 122.04 2wrj s LEU 183 Ca -0.03 0.36 0.11 0.00 0.02 0.00 0.00 54.13 54.60 2wrj s LEU 183 Cb -0.17 -2.36 -0.05 0.00 0.02 0.00 0.00 46.19 43.64 2wrj s LEU 183 CO -0.08 -0.02 -0.21 0.68 0.02 0.00 0.00 176.35 176.74 2wrj s VAL 184 N 1.20 2.36 0.00 -1.59 -7.23 -0.79 -1.36 120.40 113.00 2wrj s VAL 184 Ca 0.15 -2.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.08 2wrj s VAL 184 Cb -0.14 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.60 2wrj s VAL 184 CO 0.06 -0.31 0.41 0.29 -0.31 0.00 0.00 175.10 175.25 2wrj n LYS 185 N -0.25 0.00 -0.71 4.82 4.76 -0.91 -1.34 118.16 124.53 2wrj n LYS 185 Ca -0.08 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.40 2wrj n LYS 185 Cb 0.58 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.42 2wrj n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wrj n GLY 186 N 2.75 -0.58 2.69 0.72 0.00 -1.14 -4.79 105.19 104.83 2wrj n GLY 186 Ca 0.00 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 2wrj n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrj n ALA 187 N -2.30 -3.54 -2.96 4.61 0.00 -1.26 -4.80 120.51 110.26 2wrj n ALA 187 Ca -0.01 1.16 -0.20 0.00 0.00 0.00 0.00 53.44 54.39 2wrj n ALA 187 Cb 0.54 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.54 2wrj n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wrj s VAL 188 N -1.29 0.80 0.82 0.00 0.11 -1.26 -4.98 120.40 114.60 2wrj s VAL 188 Ca -0.10 -0.38 -0.09 0.00 -2.93 0.00 0.00 61.98 58.48 2wrj s VAL 188 Cb 0.01 -0.70 0.09 0.00 -1.53 0.00 0.00 36.38 34.25 2wrj s VAL 188 CO 0.78 0.25 0.13 -0.81 -3.33 0.00 0.00 175.10 172.11 2wrj n PRO 189 N 3.21 -1.37 -0.92 1.54 -0.04 -1.26 -4.84 135.00 131.31 2wrj n PRO 189 Ca -0.17 -0.41 0.11 0.00 -0.04 0.00 0.00 63.50 62.99 2wrj n PRO 189 Cb 0.55 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.67 2wrj n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wrj n GLY 190 N 2.69 -2.77 3.94 0.55 0.00 -1.13 -4.61 105.19 103.87 2wrj n GLY 190 Ca 0.03 -1.22 -0.27 0.00 0.00 0.00 0.00 46.02 44.57 2wrj n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wrj s PRO 191 N -3.34 1.49 0.61 1.61 0.04 -1.23 -4.67 135.00 129.52 2wrj s PRO 191 Ca 0.00 -0.49 -0.18 0.00 0.04 0.00 0.00 61.00 60.37 2wrj s PRO 191 Cb 0.00 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2wrj s PRO 191 CO 0.00 -1.74 1.19 -0.80 0.04 0.00 0.00 177.00 175.69 2wrj s ASN 192 N -4.71 5.15 -2.12 6.66 0.02 -1.26 -2.12 114.94 116.56 2wrj s ASN 192 Ca 0.67 2.32 0.00 0.00 -1.02 0.00 0.00 52.86 54.83 2wrj s ASN 192 Cb -0.07 -2.59 0.00 0.00 0.02 0.00 0.00 41.25 38.61 2wrj s ASN 192 CO 0.48 -1.62 0.00 0.61 0.02 0.00 0.00 177.10 176.59 2wrj n GLY 193 N 0.36 1.42 3.93 0.66 0.00 1.27 -4.95 105.19 107.87 2wrj n GLY 193 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 2wrj n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wrj s GLY 194 N -2.61 1.45 -0.33 -0.02 0.00 -0.90 -4.77 107.32 100.14 2wrj s GLY 194 Ca 0.00 -0.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.67 2wrj s GLY 194 CO 0.00 -0.63 1.12 -2.27 0.00 0.00 0.00 173.10 171.33 2wrj s LEU 195 N -4.56 3.90 0.35 0.66 2.96 -1.26 -1.48 118.68 119.25 2wrj s LEU 195 Ca 0.45 1.03 0.09 0.00 -0.22 0.00 0.00 54.13 55.48 2wrj s LEU 195 Cb -0.10 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 2wrj s LEU 195 CO 0.40 -0.95 -0.08 0.68 -1.32 0.00 0.00 176.35 175.08 2wrj s VAL 196 N 3.85 2.19 -0.10 1.68 -7.23 0.11 -4.40 120.40 116.51 2wrj s VAL 196 Ca 0.48 -2.18 -0.04 0.00 -1.81 0.00 0.00 61.98 58.43 2wrj s VAL 196 Cb -0.13 -2.69 0.05 0.00 0.56 0.00 0.00 36.38 34.18 2wrj s VAL 196 CO 0.18 -0.18 0.20 0.27 -0.31 0.00 0.00 175.10 175.26 2wrj s ILE 197 N -2.63 -0.30 -0.14 -0.62 -4.36 -0.97 -0.94 121.20 111.24 2wrj s ILE 197 Ca 0.33 0.32 -0.11 0.00 -0.26 0.00 0.00 60.65 60.93 2wrj s ILE 197 Cb 0.03 -0.34 -0.05 0.00 1.25 0.00 0.00 42.46 43.35 2wrj s ILE 197 CO 0.17 0.13 0.22 -0.69 0.24 0.00 0.00 174.94 175.01 2wrj s VAL 198 N 2.27 5.36 0.17 8.37 1.01 -0.68 -1.90 120.40 135.00 2wrj s VAL 198 Ca 0.02 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.39 2wrj s VAL 198 Cb -0.12 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 2wrj s VAL 198 CO -0.07 0.49 0.05 -0.13 0.00 0.00 0.00 175.10 175.44 2wrj s ARG 199 N -0.15 1.09 0.64 2.72 0.52 -0.99 -1.23 118.95 121.56 2wrj s ARG 199 Ca 0.15 -1.54 -0.18 0.00 -0.52 0.00 0.00 55.73 53.64 2wrj s ARG 199 Cb -0.13 -0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.32 2wrj s ARG 199 CO 0.03 -0.23 1.25 -1.83 0.02 0.00 0.00 175.30 174.55 2wrj s GLU 200 N -4.01 2.64 0.00 3.54 1.03 -1.18 -0.58 118.70 120.14 2wrj s GLU 200 Ca 0.28 1.94 0.00 0.00 0.03 0.00 0.00 54.97 57.22 2wrj s GLU 200 Cb 0.07 -1.87 0.00 0.00 -0.80 0.00 0.00 34.13 31.53 2wrj s GLU 200 CO 0.05 -1.50 0.00 -2.37 -1.33 0.00 0.00 175.26 170.12 2wrj n THR 201 N -1.91 0.00 -3.15 1.83 5.66 -0.67 -4.25 114.28 111.79 2wrj n THR 201 Ca 0.15 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.95 2wrj n THR 201 Cb 0.49 -1.55 -0.04 0.00 -1.55 0.00 0.00 70.33 67.68 2wrj n THR 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wrj n LYS 202 N -0.17 0.83 -0.06 1.09 4.01 -1.26 -4.96 118.16 117.63 2wrj n LYS 202 Ca 0.00 -3.16 -0.18 0.00 -0.51 0.00 0.00 58.31 54.46 2wrj n LYS 202 Cb 0.00 -1.42 -0.13 0.00 -0.51 0.00 0.00 35.03 32.98 2wrj n LYS 202 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2wrj h LYS 203 N 3.56 0.05 0.00 1.97 1.63 -1.97 -3.47 116.57 118.33 2wrj h LYS 203 Ca 0.06 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2wrj h LYS 203 Cb 0.93 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.59 2wrj h LYS 203 CO 0.46 1.04 -0.07 0.00 -3.45 0.00 0.00 179.45 177.43 2wrj n ALA 204 N -2.91 3.00 0.00 5.00 0.00 -1.26 -5.28 120.51 119.07 2wrj n ALA 204 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wrj n ALA 204 Cb 0.61 0.04 0.00 0.00 0.00 0.00 0.00 19.45 20.10 2wrj n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50