#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdn n LYS 2 N 0.00 0.00 -2.72 0.03 5.02 -1.26 -4.28 118.16 114.96 2wdn n LYS 2 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 2wdn n LYS 2 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 35.03 35.08 2wdn n LYS 2 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wdn s GLY 3 N 0.00 1.79 0.00 0.72 0.00 -1.26 -3.64 107.32 104.92 2wdn s GLY 3 Ca 0.00 -1.70 0.00 0.00 0.00 0.00 0.00 44.72 43.02 2wdn s GLY 3 CO 0.00 -1.25 0.00 4.51 0.00 0.00 0.00 173.10 176.36 2wdn n ILE 4 N -2.52 0.00 -3.55 0.90 0.13 -1.14 -4.95 119.36 108.23 2wdn n ILE 4 Ca 0.13 0.00 -0.19 0.00 -1.10 0.00 0.00 62.75 61.58 2wdn n ILE 4 Cb 0.60 0.00 -0.01 0.00 -0.84 0.00 0.00 39.64 39.39 2wdn n ILE 4 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 2wdn s LEU 5 N 0.00 3.93 0.00 9.51 1.43 -1.26 -0.91 118.68 131.37 2wdn s LEU 5 Ca 0.00 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 2wdn s LEU 5 Cb 0.00 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.55 2wdn s LEU 5 CO 0.00 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 176.79 2wdn n GLY 6 N -1.58 1.36 3.23 -3.19 0.00 -0.30 -4.11 105.19 100.59 2wdn n GLY 6 Ca -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.17 2wdn n GLY 6 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2wdn s VAL 7 N -2.36 -0.01 0.08 1.61 -7.23 -0.77 -1.92 120.40 109.79 2wdn s VAL 7 Ca 0.00 0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 59.91 2wdn s VAL 7 Cb 0.00 -0.52 -0.09 0.00 0.56 0.00 0.00 36.38 36.33 2wdn s VAL 7 CO 0.00 0.02 1.83 -0.75 -0.31 0.00 0.00 175.10 175.89 2wdn s LYS 8 N 0.71 4.15 0.00 4.82 2.20 -0.46 -1.79 119.74 129.37 2wdn s LYS 8 Ca -0.04 2.54 0.14 0.00 -0.36 0.00 0.00 55.97 58.25 2wdn s LYS 8 Cb -0.05 -3.77 0.35 0.00 -1.51 0.00 0.00 37.83 32.84 2wdn s LYS 8 CO -0.05 -0.86 1.26 1.33 -0.36 0.00 0.00 175.35 176.68 2wdn n VAL 9 N 5.00 0.79 0.00 4.02 0.24 0.15 0.73 118.33 129.25 2wdn n VAL 9 Ca 0.18 -0.89 0.00 0.00 -2.04 0.00 0.00 64.34 61.59 2wdn n VAL 9 Cb 0.40 0.67 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 2wdn n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdn n GLY 10 N 0.86 0.78 3.42 7.63 0.00 -1.24 -4.89 105.19 111.75 2wdn n GLY 10 Ca 0.14 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 2wdn n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2wdn s MET 11 N -1.15 0.93 0.00 1.61 0.23 -1.26 -0.09 119.30 119.56 2wdn s MET 11 Ca 0.00 0.10 0.00 0.00 -1.03 0.00 0.00 55.69 54.76 2wdn s MET 11 Cb 0.00 0.43 0.00 0.00 -1.53 0.00 0.00 34.83 33.73 2wdn s MET 11 CO 0.00 -0.28 0.00 0.25 -2.03 0.00 0.00 175.02 172.96 2wdn n THR 12 N 1.03 0.00 -4.59 3.16 -2.24 -0.76 -4.98 114.28 105.90 2wdn n THR 12 Ca -0.20 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.31 2wdn n THR 12 Cb 0.57 0.00 -0.10 0.00 -2.10 0.00 0.00 70.33 68.70 2wdn n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wdn s ARG 13 N -1.07 1.93 0.26 -0.78 1.70 -1.26 -0.91 118.95 118.82 2wdn s ARG 13 Ca 0.00 -2.13 0.02 0.00 -0.47 0.00 0.00 55.73 53.15 2wdn s ARG 13 Cb 0.00 -1.29 -0.01 0.00 -0.57 0.00 0.00 34.95 33.09 2wdn s ARG 13 CO 0.00 -0.21 0.29 0.44 -1.08 0.00 0.00 175.30 174.74 2wdn n ILE 14 N -0.96 0.00 -5.03 4.99 -5.35 -0.50 -4.89 119.36 107.62 2wdn n ILE 14 Ca -0.08 -1.62 -0.31 0.00 -0.27 0.00 0.00 62.75 60.48 2wdn n ILE 14 Cb 0.67 0.88 -0.15 0.00 -1.74 0.00 0.00 39.64 39.30 2wdn n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2wdn s PHE 15 N -3.20 2.39 -0.07 4.28 0.08 -1.26 0.09 117.98 120.29 2wdn s PHE 15 Ca 0.26 -0.38 -0.03 0.00 0.12 0.00 0.00 56.93 56.91 2wdn s PHE 15 Cb 0.00 -1.46 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2wdn s PHE 15 CO 0.19 0.08 0.12 1.03 -0.10 0.00 0.00 175.22 176.54 2wdn s ARG 16 N -0.98 -0.01 0.00 0.44 0.52 -0.33 -4.86 118.95 113.73 2wdn s ARG 16 Ca 0.11 0.48 0.00 0.00 -0.52 0.00 0.00 55.73 55.81 2wdn s ARG 16 Cb -0.10 -0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.01 2wdn s ARG 16 CO 0.01 -0.31 0.00 -3.47 0.02 0.00 0.00 175.30 171.55 2wdn n ASP 17 N 5.27 0.00 0.00 0.23 4.64 -1.26 -1.43 116.55 123.99 2wdn n ASP 17 Ca -0.05 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.36 2wdn n ASP 17 Cb 0.50 -0.07 0.00 0.00 -1.04 0.00 0.00 41.12 40.51 2wdn n ASP 17 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2wdn n ASP 18 N 0.15 0.00 -3.88 1.67 8.00 -1.26 -5.17 116.55 116.06 2wdn n ASP 18 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.35 2wdn n ASP 18 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 40.95 2wdn n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wdn s ARG 19 N 0.00 0.20 -0.26 -1.24 1.70 -0.52 -5.12 118.95 113.72 2wdn s ARG 19 Ca 0.00 -0.03 -0.29 0.00 -0.47 0.00 0.00 55.73 54.94 2wdn s ARG 19 Cb 0.00 -0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.12 2wdn s ARG 19 CO 0.00 -0.01 1.17 0.00 -1.08 0.00 0.00 175.30 175.38 2wdn s ALA 20 N 0.29 3.55 -0.14 7.88 0.00 -1.26 -1.18 121.76 130.90 2wdn s ALA 20 Ca -0.03 0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.04 2wdn s ALA 20 Cb -0.05 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.37 2wdn s ALA 20 CO -0.01 -1.39 0.08 0.14 0.00 0.00 0.00 175.76 174.58 2wdn s VAL 21 N 3.70 4.95 -0.12 0.00 -7.23 0.11 -4.90 120.40 116.91 2wdn s VAL 21 Ca 0.50 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 60.38 2wdn s VAL 21 Cb -0.16 -3.17 -0.01 0.00 0.56 0.00 0.00 36.38 33.60 2wdn s VAL 21 CO 0.15 0.55 1.07 -2.16 -0.31 0.00 0.00 175.10 174.41 2wdn s PRO 22 N -0.46 4.37 0.14 4.82 0.04 -1.26 -1.40 135.00 141.25 2wdn s PRO 22 Ca 0.10 1.47 0.08 0.00 0.04 0.00 0.00 61.00 62.69 2wdn s PRO 22 Cb -0.12 -3.57 -0.04 0.00 0.04 0.00 0.00 34.50 30.81 2wdn s PRO 22 CO 0.02 -0.42 -0.17 0.14 0.04 0.00 0.00 177.00 176.61 2wdn s VAL 23 N 2.33 1.63 0.04 -0.36 -7.23 -0.08 -3.81 120.40 112.92 2wdn s VAL 23 Ca 0.50 -1.79 0.08 0.00 -1.81 0.00 0.00 61.98 58.95 2wdn s VAL 23 Cb -0.19 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2wdn s VAL 23 CO 0.17 -0.31 -0.22 0.28 -0.31 0.00 0.00 175.10 174.71 2wdn s THR 24 N -1.95 1.74 -0.21 5.32 -1.32 -0.97 -1.83 115.64 116.43 2wdn s THR 24 Ca 0.12 -1.22 -0.09 0.00 -1.21 0.00 0.00 61.69 59.29 2wdn s THR 24 Cb -0.06 -1.51 -0.05 0.00 -1.51 0.00 0.00 72.50 69.37 2wdn s THR 24 CO 0.05 0.24 0.12 -0.69 -2.21 0.00 0.00 174.62 172.13 2wdn s VAL 25 N -0.79 5.20 -0.04 5.08 1.01 0.87 -2.23 120.40 129.49 2wdn s VAL 25 Ca 0.08 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.24 2wdn s VAL 25 Cb -0.09 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2wdn s VAL 25 CO 0.02 0.41 -0.24 -0.63 0.00 0.00 0.00 175.10 174.65 2wdn s ILE 26 N 0.65 2.16 -0.37 2.22 -1.09 -0.50 -0.68 121.20 123.59 2wdn s ILE 26 Ca 0.07 -1.05 -0.14 0.00 -2.23 0.00 0.00 60.65 57.30 2wdn s ILE 26 Cb -0.12 -1.78 0.00 0.00 -1.58 0.00 0.00 42.46 38.98 2wdn s ILE 26 CO 0.01 0.57 0.28 -0.22 -1.23 0.00 0.00 174.94 174.35 2wdn s LEU 27 N -0.37 4.80 -1.01 2.97 2.96 -0.74 -2.22 118.68 125.07 2wdn s LEU 27 Ca 0.03 -0.65 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2wdn s LEU 27 Cb -0.12 -2.16 0.32 0.00 0.50 0.00 0.00 46.19 44.73 2wdn s LEU 27 CO 0.02 -0.35 1.85 0.00 -1.32 0.00 0.00 176.35 176.55 2wdn n ALA 28 N 5.15 6.13 -1.08 5.97 0.00 -1.01 -1.85 120.51 133.81 2wdn n ALA 28 Ca -0.12 -4.56 -0.34 0.00 0.00 0.00 0.00 53.44 48.43 2wdn n ALA 28 Cb 0.48 -2.17 0.01 0.00 0.00 0.00 0.00 19.45 17.77 2wdn n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdn n GLY 29 N -0.10 -2.85 3.54 0.00 0.00 -1.26 -4.60 105.19 99.92 2wdn n GLY 29 Ca 0.48 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 46.03 2wdn n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wdn n PRO 30 N 1.34 0.59 -2.74 1.61 -0.02 -1.26 -4.84 135.00 129.68 2wdn n PRO 30 Ca 0.07 -0.23 -0.43 0.00 -2.02 0.00 0.00 63.50 60.89 2wdn n PRO 30 Cb 0.41 -2.86 -0.03 0.00 -0.02 0.00 0.00 33.50 31.00 2wdn n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdn s PRO 32 N 3.96 3.82 0.32 0.00 0.02 -1.16 -1.11 135.00 140.85 2wdn s PRO 32 Ca 0.41 0.62 -0.29 0.00 0.02 0.00 0.00 61.00 61.76 2wdn s PRO 32 Cb -0.09 -3.83 -0.12 0.00 0.02 0.00 0.00 34.50 30.48 2wdn s PRO 32 CO 0.27 -1.06 1.41 1.55 -0.33 0.00 0.00 177.00 178.84 2wdn n VAL 33 N 6.19 1.60 0.02 3.83 3.14 -1.26 -2.43 118.33 129.43 2wdn n VAL 33 Ca 0.09 -0.40 0.01 0.00 -2.96 0.00 0.00 64.34 61.07 2wdn n VAL 33 Cb 0.48 -1.71 -0.01 0.00 -1.06 0.00 0.00 33.84 31.54 2wdn n VAL 33 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2wdn n VAL 34 N 1.02 0.00 -3.63 1.55 3.14 -0.04 -4.82 118.33 115.54 2wdn n VAL 34 Ca 0.06 -0.20 -0.12 0.00 -2.96 0.00 0.00 64.34 61.12 2wdn n VAL 34 Cb 0.36 0.68 -0.07 0.00 -1.06 0.00 0.00 33.84 33.75 2wdn n VAL 34 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 2wdn s GLN 35 N -1.71 0.71 0.13 1.45 0.74 -1.19 -4.76 119.66 115.03 2wdn s GLN 35 Ca -0.00 0.88 0.03 0.00 0.05 0.00 0.00 55.36 56.32 2wdn s GLN 35 Cb 0.01 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.41 2wdn s GLN 35 CO 0.05 -0.09 0.20 0.50 -0.55 0.00 0.00 175.29 175.40 2wdn s ARG 36 N 0.46 3.21 -0.31 1.67 6.06 -1.26 -0.19 118.95 128.59 2wdn s ARG 36 Ca -0.00 -0.66 0.07 0.00 -2.50 0.00 0.00 55.73 52.65 2wdn s ARG 36 Cb -0.05 -2.86 0.46 0.00 0.06 0.00 0.00 34.95 32.56 2wdn s ARG 36 CO -0.03 0.53 1.33 0.54 -2.50 0.00 0.00 175.30 175.17 2wdn n ARG 37 N -0.19 2.72 -1.53 5.12 5.12 0.14 -4.95 116.66 123.09 2wdn n ARG 37 Ca -0.07 -3.70 -0.51 0.00 -1.93 0.00 0.00 57.85 51.64 2wdn n ARG 37 Cb 0.53 -2.04 -0.05 0.00 -1.16 0.00 0.00 32.46 29.75 2wdn n ARG 37 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 2wdn n THR 38 N -0.90 0.92 0.00 0.55 -2.24 -1.26 -0.52 114.28 110.82 2wdn n THR 38 Ca 0.38 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2wdn n THR 38 Cb 0.89 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2wdn n THR 38 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2wdn n PRO 39 N 1.56 0.00 -0.05 -0.78 -0.02 -1.26 -1.74 135.00 132.71 2wdn n PRO 39 Ca 0.16 0.25 0.04 0.00 -2.02 0.00 0.00 63.50 61.94 2wdn n PRO 39 Cb 0.21 -0.57 0.08 0.00 -0.02 0.00 0.00 33.50 33.20 2wdn n PRO 39 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2wdn n GLU 40 N -0.64 -0.01 -0.12 -0.52 0.00 -1.26 0.20 120.64 118.29 2wdn n GLU 40 Ca 0.00 0.16 -0.25 0.00 0.00 0.00 0.00 57.16 57.07 2wdn n GLU 40 Cb 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 31.44 31.05 2wdn n GLU 40 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2wdn n LYS 41 N -3.08 0.57 -0.09 3.44 5.02 -0.72 -4.77 118.16 118.53 2wdn n LYS 41 Ca 0.05 0.32 -0.22 0.00 -2.02 0.00 0.00 58.31 56.44 2wdn n LYS 41 Cb 0.17 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 2wdn n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wdn n ASP 42 N -4.33 2.00 0.00 4.39 8.00 0.18 -5.04 116.55 121.75 2wdn n ASP 42 Ca -0.44 0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.20 2wdn n ASP 42 Cb 0.78 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2wdn n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wdn n GLY 43 N 1.86 1.35 0.00 0.44 0.00 0.55 -4.96 105.19 104.43 2wdn n GLY 43 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.59 2wdn n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2wdn n TYR 44 N -0.93 0.00 -0.32 1.61 4.11 -1.24 -4.79 117.16 115.60 2wdn n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2wdn n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 2wdn n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 2wdn n THR 45 N -0.97 -0.83 -3.61 -3.48 -1.04 0.32 -4.67 114.28 100.00 2wdn n THR 45 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2wdn n THR 45 Cb 0.00 -1.06 -0.03 0.00 -1.82 0.00 0.00 70.33 67.42 2wdn n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wdn s ALA 46 N 0.00 -2.09 -0.23 2.41 0.00 -1.26 0.01 121.76 120.61 2wdn s ALA 46 Ca 0.00 1.73 0.02 0.00 0.00 0.00 0.00 51.96 53.71 2wdn s ALA 46 Cb 0.00 -0.62 0.05 0.00 0.00 0.00 0.00 23.12 22.55 2wdn s ALA 46 CO 0.00 -0.46 -0.14 0.08 0.00 0.00 0.00 175.76 175.24 2wdn s VAL 47 N -1.83 2.10 -1.13 0.00 1.01 -1.24 0.27 120.40 119.57 2wdn s VAL 47 Ca 0.08 -1.36 -0.21 0.00 0.00 0.00 0.00 61.98 60.49 2wdn s VAL 47 Cb -0.01 -2.10 0.06 0.00 0.00 0.00 0.00 36.38 34.33 2wdn s VAL 47 CO -0.05 0.17 1.57 -1.58 0.00 0.00 0.00 175.10 175.22 2wdn s GLN 48 N 1.18 3.73 0.26 2.72 0.74 0.74 -2.27 119.66 126.77 2wdn s GLN 48 Ca -0.04 -1.46 -0.04 0.00 0.05 0.00 0.00 55.36 53.86 2wdn s GLN 48 Cb -0.17 -5.43 0.07 0.00 1.10 0.00 0.00 33.01 28.57 2wdn s GLN 48 CO -0.08 -2.25 0.18 1.28 -0.55 0.00 0.00 175.29 173.87 2wdn n LEU 49 N 8.77 0.00 -3.74 3.68 4.32 -1.13 -0.86 117.00 128.05 2wdn n LEU 49 Ca 0.40 -0.19 -0.13 0.00 -0.02 0.00 0.00 56.01 56.07 2wdn n LEU 49 Cb 0.49 -0.19 -0.08 0.00 -1.62 0.00 0.00 43.42 42.02 2wdn n LEU 49 CO 0.70 -1.55 0.05 -0.83 -1.22 0.00 0.00 177.39 174.55 2wdn s GLY 50 N -2.47 -0.17 -0.01 -0.72 0.00 -1.02 -3.78 107.32 99.15 2wdn s GLY 50 Ca 0.13 0.22 -0.17 0.00 0.00 0.00 0.00 44.72 44.91 2wdn s GLY 50 CO 0.11 -0.00 0.36 -0.12 0.00 0.00 0.00 173.10 173.44 2wdn s PHE 51 N -1.96 -0.23 -0.17 1.90 2.19 -0.87 -3.00 117.98 115.84 2wdn s PHE 51 Ca -0.09 0.35 -0.01 0.00 0.33 0.00 0.00 56.93 57.51 2wdn s PHE 51 Cb -0.03 0.14 0.00 0.00 -1.31 0.00 0.00 43.02 41.82 2wdn s PHE 51 CO 0.01 -0.43 0.04 -0.11 1.83 0.00 0.00 175.22 176.55 2wdn n LEU 52 N 1.16 -5.15 0.00 6.12 7.94 -1.26 -3.21 117.00 122.59 2wdn n LEU 52 Ca -0.21 0.70 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 2wdn n LEU 52 Cb 0.56 -2.24 0.00 0.00 0.53 0.00 0.00 43.42 42.28 2wdn n LEU 52 CO 0.22 -1.64 0.00 -2.65 -1.11 0.00 0.00 177.39 172.21 2wdn n PRO 53 N 0.28 3.13 -0.15 1.96 -0.02 -1.26 0.08 135.00 139.03 2wdn n PRO 53 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2wdn n PRO 53 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.51 2wdn n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wdn n GLN 54 N 0.00 0.00 -3.46 -0.52 10.64 -1.26 -3.16 117.38 119.62 2wdn n GLN 54 Ca 0.00 0.00 0.01 0.00 -1.83 0.00 0.00 57.00 55.18 2wdn n GLN 54 Cb 0.00 -0.06 -0.05 0.00 -0.86 0.00 0.00 30.24 29.27 2wdn n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.83 0.00 0.00 177.06 174.43 2wdn s ASN 55 N -0.31 -0.46 -0.12 2.61 0.02 -1.26 -4.28 114.94 111.13 2wdn s ASN 55 Ca 0.00 0.66 -0.02 0.00 -1.02 0.00 0.00 52.86 52.49 2wdn s ASN 55 Cb 0.00 1.42 -0.02 0.00 0.02 0.00 0.00 41.25 42.67 2wdn s ASN 55 CO 0.00 -0.10 1.17 -2.65 0.02 0.00 0.00 177.10 175.54 2wdn n PRO 56 N 4.42 0.28 -2.40 -0.60 -0.02 -1.26 -4.37 135.00 131.06 2wdn n PRO 56 Ca -0.12 -0.65 -0.12 0.00 -2.02 0.00 0.00 63.50 60.60 2wdn n PRO 56 Cb 0.55 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.93 2wdn n PRO 56 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2wdn n LYS 57 N 4.99 -1.52 0.00 -0.52 5.02 -1.26 -4.63 118.16 120.24 2wdn n LYS 57 Ca 0.07 0.04 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 2wdn n LYS 57 Cb 0.03 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.42 2wdn n LYS 57 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2wdn n ARG 58 N -1.95 0.62 0.28 1.97 1.74 -1.26 -3.89 116.66 114.18 2wdn n ARG 58 Ca 0.03 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.29 2wdn n ARG 58 Cb 0.27 -1.19 0.75 0.00 -1.02 0.00 0.00 32.46 31.27 2wdn n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 2wdn h VAL 59 N 0.37 0.02 0.00 1.55 3.04 -1.92 -3.48 116.25 115.83 2wdn h VAL 59 Ca 0.00 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2wdn h VAL 59 Cb 0.62 1.46 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 2wdn h VAL 59 CO 0.00 0.01 0.00 -0.46 -1.01 0.00 0.00 177.57 176.11 2wdn n ASN 60 N -3.11 0.00 -0.09 3.17 0.23 -1.25 -3.46 115.26 110.75 2wdn n ASN 60 Ca 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.03 2wdn n ASN 60 Cb 0.28 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.96 2wdn n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 2wdn n ARG 61 N 0.00 -0.09 -1.52 -3.83 0.63 -1.26 -2.74 116.66 107.86 2wdn n ARG 61 Ca 0.00 1.08 -0.42 0.00 -0.92 0.00 0.00 57.85 57.58 2wdn n ARG 61 Cb 0.00 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 31.28 2wdn n ARG 61 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 2wdn n PRO 62 N -3.45 2.25 0.00 -0.14 -0.04 -1.24 -4.61 135.00 127.78 2wdn n PRO 62 Ca 0.00 -2.30 -0.13 0.00 -0.04 0.00 0.00 63.50 61.04 2wdn n PRO 62 Cb 0.05 -3.15 -0.10 0.00 -0.04 0.00 0.00 33.50 30.27 2wdn n PRO 62 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wdn h LEU 63 N 11.90 -0.06 -3.31 1.53 6.46 -1.54 -3.48 115.31 126.81 2wdn h LEU 63 Ca 0.49 -0.50 -0.40 0.00 -0.12 0.00 0.00 57.88 57.35 2wdn h LEU 63 Cb 0.67 0.02 0.04 0.00 -0.73 0.00 0.00 40.66 40.65 2wdn h LEU 63 CO 1.89 0.50 -0.84 1.17 -0.62 0.00 0.00 178.44 180.54 2wdn n LYS 64 N -4.86 -1.19 -1.02 1.25 4.81 -1.26 -4.80 118.16 111.09 2wdn n LYS 64 Ca -0.09 0.65 -0.05 0.00 -0.87 0.00 0.00 58.31 57.96 2wdn n LYS 64 Cb 0.28 -3.72 0.32 0.00 0.02 0.00 0.00 35.03 31.93 2wdn n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdn n GLY 65 N -1.74 3.55 0.05 3.14 0.00 -1.26 -4.50 105.19 104.43 2wdn n GLY 65 Ca -0.14 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2wdn n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2wdn n HIS 66 N -0.04 0.00 -3.78 1.61 -0.00 -1.26 -4.51 115.22 107.24 2wdn n HIS 66 Ca 0.40 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.99 2wdn n HIS 66 Cb 1.37 -0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 31.26 2wdn n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wdn s PHE 67 N -1.90 -0.26 0.00 1.57 5.99 -1.26 -5.09 117.98 117.04 2wdn s PHE 67 Ca 0.00 0.59 0.00 0.00 0.00 0.00 0.00 56.93 57.52 2wdn s PHE 67 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 43.02 43.11 2wdn s PHE 67 CO 0.00 -0.23 0.69 0.00 -0.00 0.00 0.00 175.22 175.68 2wdn n ALA 68 N 2.39 0.00 0.00 11.12 0.00 -1.26 -0.85 120.51 131.91 2wdn n ALA 68 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wdn n ALA 68 Cb 0.57 0.35 0.00 0.00 0.00 0.00 0.00 19.45 20.37 2wdn n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wdn n LYS 69 N -1.79 0.00 0.11 0.00 5.02 -1.26 -2.89 118.16 117.36 2wdn n LYS 69 Ca 0.00 0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.46 2wdn n LYS 69 Cb 0.00 -1.45 0.49 0.00 -0.02 0.00 0.00 35.03 34.05 2wdn n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdn h ALA 70 N 1.18 2.16 0.00 7.82 0.00 -1.32 -3.42 119.26 125.69 2wdn h ALA 70 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wdn h ALA 70 Cb 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2wdn h ALA 70 CO 0.00 -0.99 0.00 0.41 0.00 0.00 0.00 179.25 178.67 2wdn n GLY 71 N -1.50 0.00 2.52 0.00 0.00 -1.14 -2.08 105.19 102.99 2wdn n GLY 71 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.07 2wdn n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdn n VAL 72 N 0.00-12.55 -0.74 1.61 0.31 -1.26 -4.86 118.33 100.84 2wdn n VAL 72 Ca 0.00 2.81 -0.33 0.00 -0.01 0.00 0.00 64.34 66.81 2wdn n VAL 72 Cb 0.00 -6.18 0.15 0.00 -0.91 0.00 0.00 33.84 26.89 2wdn n VAL 72 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2wdn n GLU 73 N 1.81 -1.03 -3.98 5.55 4.07 -0.89 -4.57 120.64 121.61 2wdn n GLU 73 Ca -0.26 -0.27 -0.36 0.00 -0.06 0.00 0.00 57.16 56.20 2wdn n GLU 73 Cb 0.40 -1.72 -0.07 0.00 -0.06 0.00 0.00 31.44 29.99 2wdn n GLU 73 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wdn s PRO 74 N -3.45 3.37 0.00 5.31 0.04 -1.26 -4.32 135.00 134.69 2wdn s PRO 74 Ca 0.55 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.40 2wdn s PRO 74 Cb -0.15 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2wdn s PRO 74 CO 0.67 0.75 0.92 0.28 0.04 0.00 0.00 177.00 179.65 2wdn n VAL 75 N 2.07 0.00 -0.06 -0.36 0.31 0.11 -2.39 118.33 118.01 2wdn n VAL 75 Ca -0.20 1.42 -0.01 0.00 -0.01 0.00 0.00 64.34 65.54 2wdn n VAL 75 Cb 0.55 -2.20 -0.01 0.00 -0.91 0.00 0.00 33.84 31.26 2wdn n VAL 75 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2wdn n ARG 76 N -2.13 0.13 0.00 5.55 3.00 -1.20 -4.84 116.66 117.17 2wdn n ARG 76 Ca 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 57.85 57.69 2wdn n ARG 76 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 30.83 2wdn n ARG 76 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2wdn n ILE 77 N 3.35 0.00 -4.36 5.15 2.08 -1.01 -4.17 119.36 120.40 2wdn n ILE 77 Ca 0.03 0.00 -0.18 0.00 0.56 0.00 0.00 62.75 63.15 2wdn n ILE 77 Cb 0.04 0.00 -0.15 0.00 -0.75 0.00 0.00 39.64 38.79 2wdn n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 2wdn s LEU 78 N 0.00 2.02 -0.01 1.39 2.34 -1.26 -2.04 118.68 121.11 2wdn s LEU 78 Ca 0.00 -0.16 0.02 0.00 0.06 0.00 0.00 54.13 54.05 2wdn s LEU 78 Cb 0.00 -0.46 -0.00 0.00 -0.56 0.00 0.00 46.19 45.17 2wdn s LEU 78 CO 0.00 0.11 -0.05 -0.13 -1.06 0.00 0.00 176.35 175.22 2wdn s ARG 79 N -0.21 0.49 0.12 1.48 3.00 -1.25 -4.98 118.95 117.60 2wdn s ARG 79 Ca 0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 55.73 55.57 2wdn s ARG 79 Cb -0.03 -0.48 0.03 0.00 0.00 0.00 0.00 34.95 34.46 2wdn s ARG 79 CO -0.00 0.09 0.10 0.39 0.00 0.00 0.00 175.30 175.87 2wdn n GLU 80 N 3.11 -1.46 0.00 3.54 1.02 -1.26 -2.82 120.64 122.77 2wdn n GLU 80 Ca -0.15 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 56.83 2wdn n GLU 80 Cb 0.57 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2wdn n GLU 80 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 2wdn n ILE 81 N -2.85 0.00 -0.68 -3.67 2.08 -0.96 -4.76 119.36 108.52 2wdn n ILE 81 Ca 0.01 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.32 2wdn n ILE 81 Cb 0.06 0.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.97 2wdn n ILE 81 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2wdn n ARG 82 N -0.17 -0.62 -4.34 0.38 5.12 -1.26 -4.72 116.66 111.04 2wdn n ARG 82 Ca 0.00 0.89 -0.39 0.00 -1.93 0.00 0.00 57.85 56.42 2wdn n ARG 82 Cb 0.00 -0.48 -0.05 0.00 -1.16 0.00 0.00 32.46 30.78 2wdn n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2wdn n ASP 83 N 0.21 -2.68 -3.67 0.55 8.00 0.10 -4.46 116.55 114.60 2wdn n ASP 83 Ca 0.00 -1.10 -0.28 0.00 0.71 0.00 0.00 54.79 54.12 2wdn n ASP 83 Cb 0.00 -2.33 -0.16 0.00 -0.02 0.00 0.00 41.12 38.61 2wdn n ASP 83 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2wdn s PHE 84 N -3.30 0.92 -0.33 1.24 2.19 -1.26 -2.35 117.98 115.09 2wdn s PHE 84 Ca 0.76 -1.03 0.02 0.00 0.33 0.00 0.00 56.93 57.00 2wdn s PHE 84 Cb -0.42 -1.13 0.10 0.00 -1.31 0.00 0.00 43.02 40.25 2wdn s PHE 84 CO 0.97 -0.73 0.09 1.21 1.83 0.00 0.00 175.22 178.59 2wdn s ASN 85 N 1.89 4.35 0.13 6.13 3.84 -1.26 -3.62 114.94 126.40 2wdn s ASN 85 Ca 0.05 -1.95 0.00 0.00 0.21 0.00 0.00 52.86 51.17 2wdn s ASN 85 Cb -0.17 -1.23 0.00 0.00 -0.55 0.00 0.00 41.25 39.30 2wdn s ASN 85 CO -0.20 -0.39 0.00 -0.81 -2.79 0.00 0.00 177.10 172.91 2wdn n PRO 86 N 4.48 1.68 -1.11 0.43 -0.04 -1.26 -4.85 135.00 134.33 2wdn n PRO 86 Ca 0.01 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.13 2wdn n PRO 86 Cb 0.41 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.85 2wdn n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wdn n GLU 87 N -0.29 2.34 -0.48 0.54 0.28 -1.26 -4.82 120.64 116.95 2wdn n GLU 87 Ca 0.00 -1.88 -0.00 0.00 -0.16 0.00 0.00 57.16 55.12 2wdn n GLU 87 Cb 0.00 -2.78 -0.00 0.00 1.43 0.00 0.00 31.44 30.09 2wdn n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdn n GLY 88 N 4.00 -0.01 2.47 -1.84 0.00 -1.26 -4.46 105.19 104.08 2wdn n GLY 88 Ca 0.53 -0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.52 2wdn n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wdn n ASP 89 N 2.15 -1.20 0.00 1.61 2.03 -1.26 -4.98 116.55 114.90 2wdn n ASP 89 Ca 0.01 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.47 2wdn n ASP 89 Cb 0.23 0.78 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 2wdn n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 2wdn n THR 90 N -0.63 0.00 -2.97 5.18 -1.04 -1.26 -4.91 114.28 108.65 2wdn n THR 90 Ca -0.14 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.47 2wdn n THR 90 Cb 0.72 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 69.17 2wdn n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2wdn s VAL 91 N 0.00 4.47 0.00 12.58 1.01 -0.27 -4.93 120.40 133.25 2wdn s VAL 91 Ca 0.00 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.69 2wdn s VAL 91 Cb 0.00 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2wdn s VAL 91 CO 0.00 0.47 0.00 0.35 0.00 0.00 0.00 175.10 175.92 2wdn n THR 92 N 1.97 0.00 -0.00 3.92 -2.24 -1.26 -1.86 114.28 114.81 2wdn n THR 92 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2wdn n THR 92 Cb 0.49 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.72 2wdn n THR 92 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2wdn n VAL 93 N 0.00 0.00 0.66 2.28 0.31 -1.26 -4.76 118.33 115.56 2wdn n VAL 93 Ca 0.00 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.38 2wdn n VAL 93 Cb 0.00 0.10 0.29 0.00 -0.91 0.00 0.00 33.84 33.32 2wdn n VAL 93 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2wdn n GLU 94 N 0.00 0.33 -0.19 5.55 1.02 -1.26 -1.37 120.64 124.73 2wdn n GLU 94 Ca 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.05 2wdn n GLU 94 Cb 0.00 -1.46 0.04 0.00 -0.02 0.00 0.00 31.44 30.00 2wdn n GLU 94 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 2wdn h ILE 95 N 0.00 1.26 -3.46 -3.67 5.03 -1.98 -3.41 117.51 111.29 2wdn h ILE 95 Ca 0.00 -1.18 -0.61 0.00 -0.12 0.00 0.00 64.86 62.96 2wdn h ILE 95 Cb 0.00 0.86 -0.13 0.00 -3.03 0.00 0.00 36.82 34.52 2wdn h ILE 95 CO 0.00 0.42 -0.41 -0.36 -0.68 0.00 0.00 178.15 177.13 2wdn s PHE 96 N -4.96 3.37 -0.03 1.37 0.08 -0.47 -5.08 117.98 112.26 2wdn s PHE 96 Ca -0.11 0.39 -0.02 0.00 0.12 0.00 0.00 56.93 57.31 2wdn s PHE 96 Cb 0.14 -2.32 -0.04 0.00 -0.57 0.00 0.00 43.02 40.23 2wdn s PHE 96 CO 0.85 0.11 0.11 0.15 -0.10 0.00 0.00 175.22 176.35 2wdn s LYS 97 N 0.90 3.21 0.60 0.44 1.02 -1.26 -4.87 119.74 119.77 2wdn s LYS 97 Ca 0.12 -0.39 -0.18 0.00 0.02 0.00 0.00 55.97 55.54 2wdn s LYS 97 Cb -0.13 -2.96 -0.07 0.00 -0.52 0.00 0.00 37.83 34.14 2wdn s LYS 97 CO 0.04 0.68 0.59 -2.30 -0.92 0.00 0.00 175.35 173.44 2wdn n PRO 98 N 1.30 0.54 -0.85 -1.68 -0.02 -1.26 -2.53 135.00 130.49 2wdn n PRO 98 Ca -0.14 0.21 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wdn n PRO 98 Cb 0.53 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 2wdn n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wdn n GLY 99 N 1.69 0.86 3.86 -1.23 0.00 0.35 -5.00 105.19 105.72 2wdn n GLY 99 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wdn n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wdn s GLU 100 N -0.15 3.85 -0.24 1.61 2.02 -1.05 -4.77 118.70 119.97 2wdn s GLU 100 Ca 0.00 0.30 -0.20 0.00 0.02 0.00 0.00 54.97 55.09 2wdn s GLU 100 Cb 0.00 -2.94 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2wdn s GLU 100 CO 0.00 0.51 0.59 1.03 0.02 0.00 0.00 175.26 177.41 2wdn s ARG 101 N -2.02 4.13 0.52 1.61 1.81 -1.26 -1.45 118.95 122.29 2wdn s ARG 101 Ca 0.36 0.50 0.02 0.00 -1.72 0.00 0.00 55.73 54.89 2wdn s ARG 101 Cb -0.14 -3.63 0.00 0.00 -0.45 0.00 0.00 34.95 30.73 2wdn s ARG 101 CO 0.19 -0.33 0.12 0.14 -0.68 0.00 0.00 175.30 174.73 2wdn s VAL 102 N 2.24 1.32 -0.03 3.52 -7.23 -0.85 0.53 120.40 119.90 2wdn s VAL 102 Ca 0.25 -1.85 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 2wdn s VAL 102 Cb -0.16 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.62 2wdn s VAL 102 CO 0.09 0.00 -0.11 -1.81 -0.31 0.00 0.00 175.10 172.96 2wdn s ASP 103 N -3.99 1.44 -0.15 4.85 1.01 0.10 -0.19 116.67 119.74 2wdn s ASP 103 Ca 0.14 -0.23 -0.01 0.00 0.71 0.00 0.00 52.55 53.17 2wdn s ASP 103 Cb 0.01 -0.41 -0.01 0.00 1.01 0.00 0.00 42.92 43.52 2wdn s ASP 103 CO 0.08 0.08 -0.11 -0.69 0.21 0.00 0.00 175.17 174.74 2wdn s VAL 104 N 0.19 3.08 -0.10 -1.27 1.01 -0.95 -1.42 120.40 120.94 2wdn s VAL 104 Ca -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2wdn s VAL 104 Cb -0.10 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2wdn s VAL 104 CO 0.01 0.50 -0.02 -0.89 0.00 0.00 0.00 175.10 174.70 2wdn s THR 105 N 0.63 4.12 0.00 3.92 2.01 -0.25 -1.43 115.64 124.63 2wdn s THR 105 Ca -0.06 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 61.63 2wdn s THR 105 Cb -0.15 -2.74 0.00 0.00 0.01 0.00 0.00 72.50 69.61 2wdn s THR 105 CO 0.03 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.14 2wdn n GLY 106 N 2.53 3.01 3.14 4.40 0.00 0.75 -1.91 105.19 117.11 2wdn n GLY 106 Ca -0.18 -1.13 -0.35 0.00 0.00 0.00 0.00 46.02 44.36 2wdn n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wdn s THR 107 N -2.57 2.91 0.19 2.61 2.01 -1.26 -0.88 115.64 118.64 2wdn s THR 107 Ca 0.00 -1.64 -0.32 0.00 0.31 0.00 0.00 61.69 60.05 2wdn s THR 107 Cb 0.00 -2.79 -0.16 0.00 0.01 0.00 0.00 72.50 69.57 2wdn s THR 107 CO 0.00 -0.27 1.03 -0.24 -0.69 0.00 0.00 174.62 174.45 2wdn n SER 108 N 4.56 0.83 -4.68 3.53 2.88 0.31 -2.59 113.62 118.47 2wdn n SER 108 Ca -0.09 1.15 -0.41 0.00 -1.33 0.00 0.00 58.87 58.19 2wdn n SER 108 Cb 0.43 -1.17 0.01 0.00 -0.75 0.00 0.00 64.21 62.73 2wdn n SER 108 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2wdn n LYS 109 N 1.41 1.77 -2.68 -1.46 5.02 -1.26 -0.34 118.16 120.62 2wdn n LYS 109 Ca 0.15 0.63 -0.43 0.00 -2.02 0.00 0.00 58.31 56.64 2wdn n LYS 109 Cb 0.25 -2.30 -0.03 0.00 -0.02 0.00 0.00 35.03 32.93 2wdn n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2wdn s GLY 110 N -0.60 1.38 0.00 0.72 0.00 -1.26 -0.41 107.32 107.15 2wdn s GLY 110 Ca 0.62 -0.54 0.17 0.00 0.00 0.00 0.00 44.72 44.97 2wdn s GLY 110 CO 0.57 2.27 1.41 0.54 0.00 0.00 0.00 173.10 177.90 2wdn n ARG 111 N 7.52 2.00 0.00 2.90 1.74 -0.86 -4.76 116.66 125.20 2wdn n ARG 111 Ca 0.10 -1.54 0.00 0.00 -0.77 0.00 0.00 57.85 55.64 2wdn n ARG 111 Cb 0.49 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2wdn n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wdn n GLY 112 N 1.23 0.28 3.28 -0.13 0.00 -1.23 -3.93 105.19 104.68 2wdn n GLY 112 Ca 0.16 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 2wdn n GLY 112 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2wdn n PHE 113 N 0.00 2.62 -2.37 1.61 -0.00 -1.26 -1.08 117.46 116.98 2wdn n PHE 113 Ca 0.00 -1.92 -0.42 0.00 -0.00 0.00 0.00 57.45 55.12 2wdn n PHE 113 Cb 0.00 -2.20 -0.03 0.00 -0.00 0.00 0.00 39.48 37.25 2wdn n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2wdn s ALA 114 N 6.80 3.43 1.28 3.13 0.00 -0.50 -4.78 121.76 131.12 2wdn s ALA 114 Ca 0.60 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 53.26 2wdn s ALA 114 Cb 0.08 -3.46 0.31 0.00 0.00 0.00 0.00 23.12 20.06 2wdn s ALA 114 CO 0.10 -0.46 1.07 0.20 0.00 0.00 0.00 175.76 176.66 2wdn s GLY 115 N 0.99 1.54 0.80 0.00 0.00 -1.26 -1.70 107.32 107.70 2wdn s GLY 115 Ca 0.59 -0.97 -0.12 0.00 0.00 0.00 0.00 44.72 44.23 2wdn s GLY 115 CO 0.30 -0.03 1.11 0.54 0.00 0.00 0.00 173.10 175.03 2wdn s VAL 116 N -2.83 2.83 0.00 1.40 0.11 -1.26 -2.20 120.40 118.45 2wdn s VAL 116 Ca 0.71 0.27 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 2wdn s VAL 116 Cb -0.10 -3.10 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2wdn s VAL 116 CO 0.56 -0.35 0.00 0.80 -3.33 0.00 0.00 175.10 172.78 2wdn n MET 117 N -3.39 0.00 0.05 1.54 0.00 -1.26 -4.52 117.12 109.55 2wdn n MET 117 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.77 2wdn n MET 117 Cb 0.58 -2.88 0.00 0.00 0.00 0.00 0.00 33.22 30.92 2wdn n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 2wdn n LYS 118 N -2.88 0.00 0.10 2.12 0.00 -1.23 -4.10 118.16 112.16 2wdn n LYS 118 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.28 2wdn n LYS 118 Cb 0.00 0.00 0.18 0.00 0.00 0.00 0.00 35.03 35.21 2wdn n LYS 118 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2wdn h ARG 119 N 0.00 0.19 0.00 1.64 1.12 -1.67 -3.34 114.38 112.32 2wdn h ARG 119 Ca 0.00 -0.11 0.00 0.00 -1.11 0.00 0.00 59.98 58.76 2wdn h ARG 119 Cb 0.00 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 29.97 2wdn h ARG 119 CO 0.00 0.66 -0.13 0.91 -3.11 0.00 0.00 179.97 178.30 2wdn n TRP 120 N -3.94 0.00 -4.18 2.20 7.02 -1.26 -5.02 117.44 112.26 2wdn n TRP 120 Ca -0.02 -0.19 -0.34 0.00 -1.02 0.00 0.00 57.50 55.93 2wdn n TRP 120 Cb 0.55 -0.04 -0.05 0.00 -2.42 0.00 0.00 31.31 29.35 2wdn n TRP 120 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 2wdn n ASN 121 N -0.23 -0.69 -4.80 -0.99 4.13 -1.25 -4.67 115.26 106.75 2wdn n ASN 121 Ca 0.02 -1.23 -0.29 0.00 1.68 0.00 0.00 54.58 54.75 2wdn n ASN 121 Cb 0.53 -1.92 0.11 0.00 -1.54 0.00 0.00 39.78 36.96 2wdn n ASN 121 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 2wdn s PHE 122 N -4.08 2.70 0.13 3.10 0.40 -1.26 -4.87 117.98 114.10 2wdn s PHE 122 Ca 0.14 1.01 0.02 0.00 -0.60 0.00 0.00 56.93 57.50 2wdn s PHE 122 Cb -0.07 -3.25 -0.12 0.00 0.51 0.00 0.00 43.02 40.10 2wdn s PHE 122 CO 0.97 -2.02 1.30 0.00 0.70 0.00 0.00 175.22 176.17 2wdn h ALA 123 N -1.26 0.38 -0.33 5.36 0.00 -1.93 -3.44 119.26 118.05 2wdn h ALA 123 Ca -0.48 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 53.62 2wdn h ALA 123 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wdn h ALA 123 CO 0.61 1.01 0.00 0.41 0.00 0.00 0.00 179.25 181.27 2wdn n GLY 124 N 1.14 0.76 2.00 0.00 0.00 -1.26 -4.90 105.19 102.93 2wdn n GLY 124 Ca -0.04 -0.83 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 2wdn n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdn n GLY 125 N 0.00 3.49 3.77 -0.02 0.00 -0.69 -4.83 105.19 106.90 2wdn n GLY 125 Ca 0.00 -1.94 -0.37 0.00 0.00 0.00 0.00 46.02 43.71 2wdn n GLY 125 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2wdn s PRO 126 N -2.90 3.47 0.00 1.61 0.02 -1.26 -4.80 135.00 131.14 2wdn s PRO 126 Ca 0.17 1.81 0.23 0.00 0.02 0.00 0.00 61.00 63.23 2wdn s PRO 126 Cb 0.01 -2.23 0.52 0.00 0.02 0.00 0.00 34.50 32.82 2wdn s PRO 126 CO 0.12 -0.80 1.44 -0.25 -0.33 0.00 0.00 177.00 177.18 2wdn n ASP 127 N -0.90 2.77 -0.66 2.53 9.92 -1.26 -4.50 116.55 124.45 2wdn n ASP 127 Ca 0.10 -1.89 0.00 0.00 -0.53 0.00 0.00 54.79 52.47 2wdn n ASP 127 Cb 0.48 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.80 2wdn n ASP 127 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 2wdn n SER 128 N 1.06 0.00 0.00 -2.24 3.41 -1.26 -4.98 113.62 109.61 2wdn n SER 128 Ca 0.18 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 2wdn n SER 128 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2wdn n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wdn n HIS 129 N 0.00 0.00 -3.64 7.33 8.25 -1.26 -4.85 115.22 121.04 2wdn n HIS 129 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2wdn n HIS 129 Cb 0.00 -0.63 -0.07 0.00 1.12 0.00 0.00 29.99 30.41 2wdn n HIS 129 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 2wdn s GLY 130 N -1.49 0.20 0.00 -1.41 0.00 -1.26 -5.08 107.32 98.28 2wdn s GLY 130 Ca 0.00 3.22 0.00 0.00 0.00 0.00 0.00 44.72 47.94 2wdn s GLY 130 CO 0.00 1.80 0.00 0.00 0.00 0.00 0.00 173.10 174.90 2wdn n ALA 131 N 1.57 -0.71 0.00 3.20 0.00 -1.26 -4.67 120.51 118.64 2wdn n ALA 131 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2wdn n ALA 131 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2wdn n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wdn n HIS 132 N -0.61 0.00 -1.09 0.00 -0.00 -1.26 -3.45 115.22 108.81 2wdn n HIS 132 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 2wdn n HIS 132 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.10 2wdn n HIS 132 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2wdn n LYS 133 N -0.20 2.29 0.00 1.57 5.02 -1.26 -4.01 118.16 121.56 2wdn n LYS 133 Ca 0.00 -2.74 0.00 0.00 -2.02 0.00 0.00 58.31 53.55 2wdn n LYS 133 Cb 0.00 -2.08 0.00 0.00 -0.02 0.00 0.00 35.03 32.93 2wdn n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2wdn n ILE 134 N -0.76 0.00 -0.48 -0.18 -0.00 -1.22 -4.94 119.36 111.77 2wdn n ILE 134 Ca 0.54 0.00 0.37 0.00 -0.00 0.00 0.00 62.75 63.66 2wdn n ILE 134 Cb 1.06 0.80 0.59 0.00 -0.00 0.00 0.00 39.64 42.10 2wdn n ILE 134 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.55 177.96 2wdn n HIS 135 N 0.00 0.19 -2.43 4.28 8.25 -1.26 -0.51 115.22 123.74 2wdn n HIS 135 Ca 0.00 0.19 0.02 0.00 -0.26 0.00 0.00 57.72 57.67 2wdn n HIS 135 Cb 0.45 -0.58 0.05 0.00 1.12 0.00 0.00 29.99 31.04 2wdn n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2wdn n ARG 136 N -3.72 0.75 -2.84 -0.41 1.74 -1.26 -1.71 116.66 109.20 2wdn n ARG 136 Ca 0.33 -2.60 -0.25 0.00 -0.77 0.00 0.00 57.85 54.56 2wdn n ARG 136 Cb 1.43 -0.66 0.00 0.00 -1.02 0.00 0.00 32.46 32.21 2wdn n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2wdn s HIS 137 N -1.41 3.43 -1.61 -1.55 3.76 0.34 -4.82 115.29 113.42 2wdn s HIS 137 Ca 0.34 0.56 0.13 0.00 -0.15 0.00 0.00 55.06 55.93 2wdn s HIS 137 Cb 0.37 -2.28 0.67 0.00 1.11 0.00 0.00 32.58 32.46 2wdn s HIS 137 CO -0.12 -0.29 1.27 -0.35 -0.85 0.00 0.00 174.74 174.41 2wdn n PRO 138 N -2.16 0.25 0.00 8.40 -0.04 -1.26 -4.36 135.00 135.82 2wdn n PRO 138 Ca 0.00 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2wdn n PRO 138 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2wdn n PRO 138 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdn n GLY 139 N -0.22 1.08 3.98 0.55 0.00 -1.26 -4.79 105.19 104.54 2wdn n GLY 139 Ca 0.07 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 2wdn n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wdn s SER 140 N -4.00 4.99 0.00 1.61 0.15 -1.26 -5.05 113.70 110.14 2wdn s SER 140 Ca 0.00 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2wdn s SER 140 Cb 0.00 -0.51 0.00 0.00 -1.71 0.00 0.00 66.02 63.80 2wdn s SER 140 CO 0.00 -1.36 0.00 2.30 1.20 0.00 0.00 173.24 175.38 2wdn n ILE 141 N -2.47 0.00 -2.89 6.45 -5.35 -1.26 -5.14 119.36 108.69 2wdn n ILE 141 Ca 0.11 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.59 2wdn n ILE 141 Cb 0.60 0.65 0.00 0.00 -1.74 0.00 0.00 39.64 39.15 2wdn n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wdn n GLY 142 N 0.00 5.19 0.00 3.28 0.00 -1.26 -4.76 105.19 107.64 2wdn n GLY 142 Ca 0.00 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.63 2wdn n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wdn n ASN 143 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.12 115.26 115.52 2wdn n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 2wdn n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 2wdn n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wdn n ARG 144 N 0.00 0.00 0.22 3.52 5.12 -1.26 -4.98 116.66 119.28 2wdn n ARG 144 Ca 0.00 0.00 0.06 0.00 -1.93 0.00 0.00 57.85 55.98 2wdn n ARG 144 Cb 0.00 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 31.85 2wdn n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 2wdn h LYS 145 N 0.00 0.04 -3.97 5.56 1.79 -2.02 -2.38 116.57 115.58 2wdn h LYS 145 Ca 0.00 -0.01 -0.46 0.00 -2.18 0.00 0.00 60.65 58.01 2wdn h LYS 145 Cb 0.00 -0.01 -0.36 0.00 -1.58 0.00 0.00 32.23 30.28 2wdn h LYS 145 CO 0.00 0.12 -0.78 0.95 -1.08 0.00 0.00 179.45 178.66 2wdn s THR 146 N -4.88 0.64 0.33 -0.16 -4.23 -1.26 -3.37 115.64 102.71 2wdn s THR 146 Ca -0.05 -0.08 0.04 0.00 -1.18 0.00 0.00 61.69 60.42 2wdn s THR 146 Cb 0.16 -0.71 0.14 0.00 1.34 0.00 0.00 72.50 73.43 2wdn s THR 146 CO 0.69 0.29 1.84 1.55 -0.54 0.00 0.00 174.62 178.45 2wdn h PRO 147 N 7.92 0.49 -2.67 3.99 0.13 -1.96 -3.45 132.00 136.45 2wdn h PRO 147 Ca -0.27 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.63 2wdn h PRO 147 Cb 1.14 -0.06 0.04 0.00 0.13 0.00 0.00 31.00 32.25 2wdn h PRO 147 CO 0.36 0.57 -0.20 0.41 -0.23 0.00 0.00 178.00 178.92 2wdn n GLY 148 N -0.76 0.38 0.30 1.56 0.00 -0.90 -5.01 105.19 100.77 2wdn n GLY 148 Ca 0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.66 2wdn n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdn n ARG 149 N -1.80 0.01 -4.85 1.61 1.85 -1.26 -5.05 116.66 107.17 2wdn n ARG 149 Ca -0.04 -0.06 -0.25 0.00 -1.00 0.00 0.00 57.85 56.50 2wdn n ARG 149 Cb 0.53 0.10 -0.15 0.00 -1.05 0.00 0.00 32.46 31.89 2wdn n ARG 149 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2wdn s VAL 150 N -2.16 1.45 0.14 8.89 1.01 -1.26 -4.66 120.40 123.81 2wdn s VAL 150 Ca 0.02 -0.81 -0.34 0.00 0.00 0.00 0.00 61.98 60.85 2wdn s VAL 150 Cb -0.00 -1.21 -0.16 0.00 0.00 0.00 0.00 36.38 35.01 2wdn s VAL 150 CO -0.00 0.39 1.27 -1.22 0.00 0.00 0.00 175.10 175.54 2wdn n TYR 151 N 2.56 1.49 0.16 5.22 4.01 -1.26 -4.83 117.16 124.51 2wdn n TYR 151 Ca -0.15 0.62 0.19 0.00 -0.16 0.00 0.00 57.90 58.40 2wdn n TYR 151 Cb 0.54 -2.33 0.78 0.00 -0.31 0.00 0.00 39.34 38.02 2wdn n TYR 151 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2wdn h LYS 152 N 4.05 0.00 -0.32 -0.72 1.63 -2.02 -1.48 116.57 117.71 2wdn h LYS 152 Ca -0.45 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2wdn h LYS 152 Cb 1.33 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 2wdn h LYS 152 CO 0.75 0.00 0.00 0.41 -3.45 0.00 0.00 179.45 177.16 2wdn n GLY 153 N -1.42 3.10 2.99 5.01 0.00 -1.26 -5.05 105.19 108.56 2wdn n GLY 153 Ca 0.04 -0.54 -0.54 0.00 0.00 0.00 0.00 46.02 44.98 2wdn n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdn n LYS 154 N 0.23 0.00 -2.12 1.61 3.00 -0.56 -4.84 118.16 115.47 2wdn n LYS 154 Ca 0.14 0.00 -0.43 0.00 -0.00 0.00 0.00 58.31 58.02 2wdn n LYS 154 Cb 0.54 -1.21 -0.03 0.00 0.00 0.00 0.00 35.03 34.34 2wdn n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2wdn s LYS 155 N 2.59 3.89 0.33 1.64 1.02 -1.26 -4.97 119.74 122.99 2wdn s LYS 155 Ca 0.85 1.75 0.07 0.00 0.02 0.00 0.00 55.97 58.67 2wdn s LYS 155 Cb -1.21 -4.01 -0.03 0.00 -0.52 0.00 0.00 37.83 32.07 2wdn s LYS 155 CO 0.65 -1.17 0.26 -1.33 -0.92 0.00 0.00 175.35 172.84 2wdn n MET 156 N 7.49 0.42 -1.53 1.68 2.81 -1.26 -5.10 117.12 121.63 2wdn n MET 156 Ca 0.18 -3.26 -0.35 0.00 -1.81 0.00 0.00 57.70 52.46 2wdn n MET 156 Cb 0.45 2.57 0.08 0.00 -0.71 0.00 0.00 33.22 35.61 2wdn n MET 156 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wdn s ALA 157 N -3.29 2.19 0.00 3.04 0.00 -1.26 -4.70 121.76 117.74 2wdn s ALA 157 Ca 0.37 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.27 2wdn s ALA 157 Cb 0.02 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2wdn s ALA 157 CO 0.26 -1.78 0.00 0.41 0.00 0.00 0.00 175.76 174.65 2wdn n GLY 158 N 0.48 -0.48 3.63 0.00 0.00 -0.69 -4.93 105.19 103.20 2wdn n GLY 158 Ca 0.14 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.48 2wdn n GLY 158 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wdn s HIS 159 N -2.00 1.41 -0.09 1.61 5.65 -1.26 -1.40 115.29 119.21 2wdn s HIS 159 Ca 0.00 0.12 -0.01 0.00 0.25 0.00 0.00 55.06 55.42 2wdn s HIS 159 Cb 0.00 -4.07 0.03 0.00 -1.18 0.00 0.00 32.58 27.35 2wdn s HIS 159 CO 0.00 -4.47 -0.04 -0.47 -0.65 0.00 0.00 174.74 169.10 2wdn s TYR 160 N 6.02 1.11 -2.05 3.88 6.14 -0.24 -4.88 117.35 127.33 2wdn s TYR 160 Ca 0.89 -0.47 0.00 0.00 0.64 0.00 0.00 57.07 58.13 2wdn s TYR 160 Cb -0.35 -1.02 0.00 0.00 0.42 0.00 0.00 41.96 41.01 2wdn s TYR 160 CO 0.36 -0.41 0.00 0.41 0.64 0.00 0.00 175.55 176.55 2wdn n GLY 161 N 4.94 0.57 3.39 8.97 0.00 -1.26 -2.03 105.19 119.77 2wdn n GLY 161 Ca -0.11 -2.14 -0.25 0.00 0.00 0.00 0.00 46.02 43.51 2wdn n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn n ALA 162 N -1.00 -2.33 -3.51 4.61 0.00 0.54 -4.73 120.51 114.10 2wdn n ALA 162 Ca 0.00 -0.04 -0.17 0.00 0.00 0.00 0.00 53.44 53.23 2wdn n ALA 162 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 18.35 2wdn n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2wdn s GLU 163 N -3.54 1.08 -0.03 0.00 -1.05 -1.15 -4.83 118.70 109.18 2wdn s GLU 163 Ca 0.12 0.19 -0.36 0.00 -0.15 0.00 0.00 54.97 54.77 2wdn s GLU 163 Cb -0.01 0.51 -0.14 0.00 -0.44 0.00 0.00 34.13 34.04 2wdn s GLU 163 CO 0.73 -0.35 1.66 -2.13 0.95 0.00 0.00 175.26 176.13 2wdn n ARG 164 N 0.80 1.75 -3.78 -4.83 0.63 -1.26 -0.53 116.66 109.44 2wdn n ARG 164 Ca -0.19 0.64 -0.13 0.00 -0.92 0.00 0.00 57.85 57.25 2wdn n ARG 164 Cb 0.58 -2.39 -0.12 0.00 0.45 0.00 0.00 32.46 30.98 2wdn n ARG 164 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2wdn s VAL 165 N 2.38 -0.01 -0.26 5.15 0.11 -0.06 -4.86 120.40 122.85 2wdn s VAL 165 Ca 0.88 0.03 0.03 0.00 -2.93 0.00 0.00 61.98 59.99 2wdn s VAL 165 Cb -0.82 -0.36 0.06 0.00 -1.53 0.00 0.00 36.38 33.73 2wdn s VAL 165 CO 0.50 0.01 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.29 2wdn s THR 166 N 0.35 2.10 0.53 5.04 2.01 -1.26 -0.18 115.64 124.23 2wdn s THR 166 Ca -0.02 -1.61 -0.16 0.00 0.31 0.00 0.00 61.69 60.21 2wdn s THR 166 Cb -0.03 -2.24 -0.07 0.00 0.01 0.00 0.00 72.50 70.17 2wdn s THR 166 CO -0.01 -0.06 0.99 0.54 -0.69 0.00 0.00 174.62 175.39 2wdn s VAL 167 N 1.13 4.53 0.18 3.82 0.11 -0.52 -4.93 120.40 124.72 2wdn s VAL 167 Ca -0.08 1.17 0.00 0.00 -2.93 0.00 0.00 61.98 60.15 2wdn s VAL 167 Cb -0.20 -3.72 -0.00 0.00 -1.53 0.00 0.00 36.38 30.93 2wdn s VAL 167 CO -0.05 -0.73 0.02 0.23 -3.33 0.00 0.00 175.10 171.23 2wdn n MET 168 N -1.71 1.30 -2.99 1.54 0.00 -1.26 -2.25 117.12 111.74 2wdn n MET 168 Ca 0.07 -1.38 -0.01 0.00 0.00 0.00 0.00 57.70 56.38 2wdn n MET 168 Cb 0.54 0.49 0.00 0.00 0.00 0.00 0.00 33.22 34.25 2wdn n MET 168 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 2wdn n ASN 169 N -1.35 -0.09 -4.51 7.83 5.15 -1.03 -4.86 115.26 116.39 2wdn n ASN 169 Ca -0.06 -0.02 -0.39 0.00 -0.60 0.00 0.00 54.58 53.51 2wdn n ASN 169 Cb 0.24 -0.03 -0.11 0.00 -0.53 0.00 0.00 39.78 39.35 2wdn n ASN 169 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2wdn s LEU 170 N -3.21 4.11 0.09 1.20 2.96 0.74 -4.84 118.68 119.73 2wdn s LEU 170 Ca 0.00 -0.30 -0.31 0.00 -0.22 0.00 0.00 54.13 53.31 2wdn s LEU 170 Cb -0.00 -2.07 -0.09 0.00 0.50 0.00 0.00 46.19 44.53 2wdn s LEU 170 CO 0.02 -0.14 1.71 -0.70 -1.32 0.00 0.00 176.35 175.92 2wdn s GLU 171 N 1.69 4.18 -0.49 1.98 2.12 -1.26 -2.01 118.70 124.90 2wdn s GLU 171 Ca 0.06 2.42 -0.29 0.00 0.36 0.00 0.00 54.97 57.53 2wdn s GLU 171 Cb -0.17 -3.57 0.03 0.00 0.26 0.00 0.00 34.13 30.68 2wdn s GLU 171 CO 0.09 -0.76 1.21 0.08 -0.54 0.00 0.00 175.26 175.33 2wdn s VAL 172 N 2.57 4.10 0.18 3.70 1.01 -0.53 -3.56 120.40 127.88 2wdn s VAL 172 Ca 0.76 1.09 -0.03 0.00 0.00 0.00 0.00 61.98 63.79 2wdn s VAL 172 Cb -0.42 -4.56 -0.08 0.00 0.00 0.00 0.00 36.38 31.32 2wdn s VAL 172 CO 0.34 -1.05 1.46 0.58 0.00 0.00 0.00 175.10 176.43 2wdn h VAL 173 N 6.27 1.34 -2.97 2.92 2.07 -1.41 0.10 116.25 124.57 2wdn h VAL 173 Ca -0.24 -1.93 0.06 0.00 0.82 0.00 0.00 66.70 65.41 2wdn h VAL 173 Cb 1.07 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.68 2wdn h VAL 173 CO 1.14 0.59 0.24 -0.62 0.02 0.00 0.00 177.57 178.94 2wdn s ASP 174 N -6.95 -0.30 -0.21 0.57 3.68 -1.23 -4.69 116.67 107.53 2wdn s ASP 174 Ca -0.07 -0.50 -0.04 0.00 2.13 0.00 0.00 52.55 54.07 2wdn s ASP 174 Cb 0.11 0.70 0.10 0.00 -1.45 0.00 0.00 42.92 42.37 2wdn s ASP 174 CO 0.85 -1.27 0.23 0.54 0.13 0.00 0.00 175.17 175.65 2wdn s VAL 175 N -3.86 -0.34 -1.01 1.11 0.11 -1.26 -0.84 120.40 114.30 2wdn s VAL 175 Ca 0.09 -0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 58.94 2wdn s VAL 175 Cb -0.05 -0.72 0.26 0.00 -1.53 0.00 0.00 36.38 34.34 2wdn s VAL 175 CO 0.04 -0.23 1.02 -0.38 -3.33 0.00 0.00 175.10 172.21 2wdn n ILE 176 N 5.32 3.99 0.29 7.04 -0.00 -1.26 -4.85 119.36 129.89 2wdn n ILE 176 Ca -0.05 -5.35 0.18 0.00 -0.00 0.00 0.00 62.75 57.53 2wdn n ILE 176 Cb 0.49 -2.43 0.90 0.00 -0.00 0.00 0.00 39.64 38.60 2wdn n ILE 176 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.55 178.10 2wdn h PRO 177 N 6.14 0.00 0.39 0.38 0.13 -1.94 -0.27 132.00 136.83 2wdn h PRO 177 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 2wdn h PRO 177 Cb 0.81 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.91 2wdn h PRO 177 CO 0.99 0.00 -0.51 1.49 -0.23 0.00 0.00 178.00 179.74 2wdn h GLU 178 N 0.00 -0.90 -0.01 0.86 4.57 -1.96 -2.97 114.58 114.17 2wdn h GLU 178 Ca 0.04 0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2wdn h GLU 178 Cb 0.55 0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2wdn h GLU 178 CO -0.00 -0.60 -0.28 -1.91 -1.18 0.00 0.00 179.01 175.04 2wdn n GLU 179 N -5.50 1.18 -2.25 1.92 4.07 -0.88 -4.95 120.64 114.23 2wdn n GLU 179 Ca -0.11 -0.83 0.00 0.00 -0.06 0.00 0.00 57.16 56.16 2wdn n GLU 179 Cb 0.45 -1.48 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 2wdn n GLU 179 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2wdn n ASN 180 N -0.19 -1.66 -0.86 4.31 2.85 -0.21 -5.02 115.26 114.48 2wdn n ASN 180 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2wdn n ASN 180 Cb 0.41 -0.47 0.00 0.00 1.24 0.00 0.00 39.78 40.96 2wdn n ASN 180 CO 0.00 0.00 0.00 0.18 -2.11 0.00 0.00 177.26 175.33 2wdn n LEU 181 N -0.36 0.00 0.00 1.20 7.99 -0.62 -2.42 117.00 122.80 2wdn n LEU 181 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2wdn n LEU 181 Cb 0.47 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.78 2wdn n LEU 181 CO 0.00 -0.12 0.00 -0.11 -1.51 0.00 0.00 177.39 175.65 2wdn n LEU 182 N 0.00 0.00 -4.35 2.23 7.94 -0.94 -4.13 117.00 117.75 2wdn n LEU 182 Ca 0.00 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.60 2wdn n LEU 182 Cb 0.00 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.81 2wdn n LEU 182 CO 0.00 0.00 -0.57 -0.76 -1.11 0.00 0.00 177.39 174.95 2wdn s LEU 183 N 0.00 2.20 0.00 -1.96 1.02 -0.02 -1.41 118.68 118.50 2wdn s LEU 183 Ca 0.00 -0.60 0.00 0.00 0.02 0.00 0.00 54.13 53.55 2wdn s LEU 183 Cb 0.00 -1.29 0.00 0.00 0.02 0.00 0.00 46.19 44.92 2wdn s LEU 183 CO 0.00 0.25 0.00 1.33 0.02 0.00 0.00 176.35 177.95 2wdn n VAL 184 N 1.68 0.00 -1.18 -1.59 0.24 -0.95 -1.16 118.33 115.38 2wdn n VAL 184 Ca -0.17 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 61.87 2wdn n VAL 184 Cb 0.52 0.00 0.04 0.00 -1.47 0.00 0.00 33.84 32.93 2wdn n VAL 184 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2wdn n LYS 185 N 0.00 2.26 0.00 7.34 4.76 -1.23 -2.28 118.16 129.01 2wdn n LYS 185 Ca 0.00 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 53.02 2wdn n LYS 185 Cb 0.00 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.22 2wdn n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdn n GLY 186 N -0.14 0.00 0.41 0.72 0.00 -1.25 -4.67 105.19 100.27 2wdn n GLY 186 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.48 2wdn n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdn n ALA 187 N 0.00 0.78 -2.53 4.61 0.00 -1.26 -4.73 120.51 117.39 2wdn n ALA 187 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wdn n ALA 187 Cb 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 2wdn n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wdn s VAL 188 N -0.85 4.43 1.05 0.00 0.11 -1.26 -4.79 120.40 119.09 2wdn s VAL 188 Ca 0.00 1.74 -0.12 0.00 -2.93 0.00 0.00 61.98 60.66 2wdn s VAL 188 Cb 0.00 -4.12 0.22 0.00 -1.53 0.00 0.00 36.38 30.95 2wdn s VAL 188 CO 0.00 -0.05 1.07 -2.16 -3.33 0.00 0.00 175.10 170.63 2wdn s PRO 189 N 2.59 0.04 0.00 1.54 0.04 -1.26 -4.94 135.00 133.00 2wdn s PRO 189 Ca 0.52 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2wdn s PRO 189 Cb -0.21 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2wdn s PRO 189 CO 0.17 -3.02 0.00 0.41 0.04 0.00 0.00 177.00 174.60 2wdn n GLY 190 N -0.54 -1.94 2.41 0.56 0.00 -1.07 -4.57 105.19 100.04 2wdn n GLY 190 Ca 0.05 -1.50 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 2wdn n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdn n PRO 191 N -2.38 -0.06 -2.57 1.61 -0.04 -1.26 -4.79 135.00 125.50 2wdn n PRO 191 Ca 0.00 -1.60 -0.35 0.00 -0.04 0.00 0.00 63.50 61.51 2wdn n PRO 191 Cb 0.00 -0.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.90 2wdn n PRO 191 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wdn s ASN 192 N -3.64 6.64 -0.01 3.54 0.02 -1.26 -2.62 114.94 117.61 2wdn s ASN 192 Ca 0.42 1.97 0.00 0.00 -1.02 0.00 0.00 52.86 54.23 2wdn s ASN 192 Cb -0.02 -2.57 0.00 0.00 0.02 0.00 0.00 41.25 38.68 2wdn s ASN 192 CO 0.29 -0.57 0.00 0.61 0.02 0.00 0.00 177.10 177.45 2wdn n GLY 193 N 0.06 0.46 3.81 0.66 0.00 0.22 -4.95 105.19 105.46 2wdn n GLY 193 Ca 0.07 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 2wdn n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2wdn s GLY 194 N -2.05 2.66 -0.62 -0.02 0.00 -1.08 -4.82 107.32 101.39 2wdn s GLY 194 Ca 0.00 0.14 -0.28 0.00 0.00 0.00 0.00 44.72 44.58 2wdn s GLY 194 CO 0.00 0.52 1.36 -2.27 0.00 0.00 0.00 173.10 172.71 2wdn s LEU 195 N -1.69 3.34 0.37 0.66 2.96 -1.26 -1.35 118.68 121.71 2wdn s LEU 195 Ca 0.39 0.04 0.07 0.00 -0.22 0.00 0.00 54.13 54.41 2wdn s LEU 195 Cb -0.18 -2.91 -0.01 0.00 0.50 0.00 0.00 46.19 43.59 2wdn s LEU 195 CO 0.21 -1.74 0.40 0.68 -1.32 0.00 0.00 176.35 174.59 2wdn s VAL 196 N 5.92 3.37 -0.09 1.68 -7.23 -0.81 -4.62 120.40 118.63 2wdn s VAL 196 Ca 0.46 -1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 59.38 2wdn s VAL 196 Cb -0.09 -3.16 0.04 0.00 0.56 0.00 0.00 36.38 33.73 2wdn s VAL 196 CO 0.22 -0.10 0.20 -0.51 -0.31 0.00 0.00 175.10 174.60 2wdn s ILE 197 N -2.32 -0.04 0.09 -0.62 2.07 -0.80 -1.15 121.20 118.42 2wdn s ILE 197 Ca 0.46 0.15 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 2wdn s ILE 197 Cb -0.07 -0.32 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 2wdn s ILE 197 CO 0.29 0.06 0.04 -0.69 -1.91 0.00 0.00 174.94 172.73 2wdn s VAL 198 N 1.17 4.27 0.23 4.00 1.01 -0.09 -1.10 120.40 129.90 2wdn s VAL 198 Ca -0.09 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 2wdn s VAL 198 Cb -0.10 -3.05 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 2wdn s VAL 198 CO -0.07 0.12 0.37 -0.13 0.00 0.00 0.00 175.10 175.38 2wdn s ARG 199 N -2.37 1.44 0.20 2.72 0.52 -0.51 -2.87 118.95 118.09 2wdn s ARG 199 Ca 0.28 -1.37 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 2wdn s ARG 199 Cb -0.12 0.41 -0.08 0.00 0.52 0.00 0.00 34.95 35.68 2wdn s ARG 199 CO 0.20 -0.56 1.04 -1.83 0.02 0.00 0.00 175.30 174.16 2wdn s GLU 200 N -4.06 4.69 0.00 3.54 1.03 -1.24 0.03 118.70 122.69 2wdn s GLU 200 Ca 0.27 1.63 0.00 0.00 0.03 0.00 0.00 54.97 56.91 2wdn s GLU 200 Cb 0.02 -3.28 0.00 0.00 -0.80 0.00 0.00 34.13 30.07 2wdn s GLU 200 CO 0.10 0.24 0.00 -2.37 -1.33 0.00 0.00 175.26 171.90 2wdn n THR 201 N 1.97 0.00 -2.82 1.83 5.66 0.19 -4.55 114.28 116.55 2wdn n THR 201 Ca 0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.90 2wdn n THR 201 Cb 0.47 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.29 2wdn n THR 201 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wdn n LYS 202 N 0.00 1.09 0.14 1.09 4.01 -1.26 -4.69 118.16 118.53 2wdn n LYS 202 Ca 0.00 -2.74 0.12 0.00 -0.51 0.00 0.00 58.31 55.17 2wdn n LYS 202 Cb 0.00 -1.06 0.06 0.00 -0.51 0.00 0.00 35.03 33.51 2wdn n LYS 202 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2wdn h LYS 203 N 2.78 0.00 0.00 1.97 2.10 -1.95 -3.45 116.57 118.02 2wdn h LYS 203 Ca -0.09 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.56 2wdn h LYS 203 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2wdn h LYS 203 CO 0.31 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.77 2wdn n ALA 204 N -2.16 0.74 0.00 0.07 0.00 -1.26 -5.28 120.51 112.62 2wdn n ALA 204 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2wdn n ALA 204 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 2wdn n ALA 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50