#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1w2g s LEU 2 N 0.00 3.15 -0.07 -0.89 2.96 -1.26 -0.76 118.68 121.81 1w2g s LEU 2 Ca 0.00 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1w2g s LEU 2 Cb 0.00 -1.81 -0.00 0.00 0.50 0.00 0.00 46.19 44.87 1w2g s LEU 2 CO 0.00 0.00 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.20 1w2g s ILE 3 N 1.35 1.77 -0.15 6.68 1.01 0.72 -0.42 121.20 132.16 1w2g s ILE 3 Ca 0.04 -0.88 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 1w2g s ILE 3 Cb -0.15 -1.53 -0.02 0.00 0.01 0.00 0.00 42.46 40.77 1w2g s ILE 3 CO 0.00 0.50 -0.08 0.00 0.00 0.00 0.00 174.94 175.36 1w2g s ALA 4 N 0.19 2.82 -0.27 9.38 0.00 -0.36 0.45 121.76 133.98 1w2g s ALA 4 Ca -0.11 -0.88 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 1w2g s ALA 4 Cb -0.15 -1.42 -0.05 0.00 0.00 0.00 0.00 23.12 21.50 1w2g s ALA 4 CO 0.05 0.17 0.21 0.42 0.00 0.00 0.00 175.76 176.61 1w2g s ILE 5 N 0.45 5.30 0.25 0.00 -1.09 0.16 -0.17 121.20 126.10 1w2g s ILE 5 Ca -0.06 0.23 0.11 0.00 -2.23 0.00 0.00 60.65 58.70 1w2g s ILE 5 Cb -0.15 -3.55 -0.05 0.00 -1.58 0.00 0.00 42.46 37.14 1w2g s ILE 5 CO 0.04 0.26 -0.20 -1.61 -1.23 0.00 0.00 174.94 172.20 1w2g s GLU 6 N 1.64 1.59 0.00 2.79 0.41 -0.14 -0.69 118.70 124.30 1w2g s GLU 6 Ca 0.08 -1.69 0.00 0.00 -0.41 0.00 0.00 54.97 52.96 1w2g s GLU 6 Cb -0.15 -1.69 0.00 0.00 -1.78 0.00 0.00 34.13 30.51 1w2g s GLU 6 CO 0.09 0.32 0.00 0.41 -0.49 0.00 0.00 175.26 175.60 1w2g n GLY 7 N -0.39 2.42 3.90 -1.39 0.00 -1.26 -0.94 105.19 107.53 1w2g n GLY 7 Ca -0.07 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1w2g n GLY 7 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1w2g s VAL 8 N -2.00 1.99 0.09 1.61 -7.23 -1.26 -4.90 120.40 108.70 1w2g s VAL 8 Ca 0.00 0.00 -0.31 0.00 -1.81 0.00 0.00 61.98 59.86 1w2g s VAL 8 Cb 0.00 -2.98 -0.10 0.00 0.56 0.00 0.00 36.38 33.86 1w2g s VAL 8 CO 0.00 0.00 1.91 1.51 -0.31 0.00 0.00 175.10 178.21 1w2g s ASP 9 N -4.65 6.42 0.00 4.85 3.84 -1.26 -1.62 116.67 124.25 1w2g s ASP 9 Ca 0.66 2.74 0.00 0.00 -0.00 0.00 0.00 52.55 55.96 1w2g s ASP 9 Cb -0.09 -2.55 0.00 0.00 -1.38 0.00 0.00 42.92 38.90 1w2g s ASP 9 CO 0.51 -1.04 0.00 0.61 -0.00 0.00 0.00 175.17 175.25 1w2g n GLY 10 N 4.39 0.89 0.16 2.12 0.00 -1.26 -4.96 105.19 106.52 1w2g n GLY 10 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 1w2g n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2g h ALA 11 N 0.00 0.90 -0.16 4.61 0.00 -1.63 -3.47 119.26 119.51 1w2g h ALA 11 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1w2g h ALA 11 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1w2g h ALA 11 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 1w2g n GLY 12 N 0.26 1.16 0.28 0.00 0.00 -1.26 -4.89 105.19 100.74 1w2g n GLY 12 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 46.02 45.78 1w2g n GLY 12 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g h LYS 13 N 0.00 0.93 -0.64 1.61 1.57 -1.92 -2.54 116.57 115.58 1w2g h LYS 13 Ca 0.00 -0.13 0.05 0.00 -1.87 0.00 0.00 60.65 58.70 1w2g h LYS 13 Cb 0.22 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 1w2g h LYS 13 CO 0.00 0.74 0.36 0.00 -0.57 0.00 0.00 179.45 179.98 1w2g h ARG 14 N 0.89 0.66 -0.31 3.15 -0.00 -1.99 0.12 114.38 116.90 1w2g h ARG 14 Ca 0.22 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.98 59.66 1w2g h ARG 14 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 29.97 29.92 1w2g h ARG 14 CO -0.03 0.44 0.18 1.15 0.00 0.00 0.00 179.97 181.70 1w2g h THR 15 N 0.68 1.13 -0.64 2.04 2.02 -1.93 -1.82 112.91 114.38 1w2g h THR 15 Ca 0.28 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1w2g h THR 15 Cb 0.15 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1w2g h THR 15 CO -0.17 0.13 0.17 0.25 0.37 0.00 0.00 175.52 176.27 1w2g h LEU 16 N 0.39 0.94 -0.32 2.58 5.85 -1.02 -1.66 115.31 122.08 1w2g h LEU 16 Ca 0.11 -0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.68 1w2g h LEU 16 Cb 0.05 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1w2g h LEU 16 CO -0.02 0.90 0.14 0.58 -0.34 0.00 0.00 178.44 179.70 1w2g h VAL 17 N 0.96 0.96 -0.42 1.05 2.07 -0.37 0.37 116.25 120.87 1w2g h VAL 17 Ca 0.21 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1w2g h VAL 17 Cb 0.32 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1w2g h VAL 17 CO -0.00 0.06 0.18 -0.33 0.02 0.00 0.00 177.57 177.49 1w2g h GLU 18 N 0.30 0.63 0.09 1.57 3.07 -1.05 -0.07 114.58 119.13 1w2g h GLU 18 Ca 0.14 -0.11 -0.00 0.00 -0.50 0.00 0.00 59.36 58.88 1w2g h GLU 18 Cb 0.07 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 1w2g h GLU 18 CO -0.11 0.58 -0.05 0.87 -1.40 0.00 0.00 179.01 178.90 1w2g h LYS 19 N 0.54 -0.12 -0.90 2.33 1.57 -1.03 0.97 116.57 119.93 1w2g h LYS 19 Ca 0.14 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1w2g h LYS 19 Cb 0.18 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1w2g h LYS 19 CO -0.01 0.06 0.57 1.25 -0.57 0.00 0.00 179.45 180.74 1w2g h LEU 20 N -0.28 1.07 -0.21 2.94 5.85 -0.89 0.22 115.31 124.00 1w2g h LEU 20 Ca -0.01 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 1w2g h LEU 20 Cb 0.23 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1w2g h LEU 20 CO 0.02 0.80 0.12 0.28 -0.34 0.00 0.00 178.44 179.32 1w2g h SER 21 N 1.24 0.27 -0.95 1.25 0.02 -0.82 -0.68 113.55 113.86 1w2g h SER 21 Ca 0.33 -0.08 0.04 0.00 -0.84 0.00 0.00 61.79 61.24 1w2g h SER 21 Cb -0.09 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 62.33 1w2g h SER 21 CO -0.06 0.27 0.62 1.23 -1.14 0.00 0.00 176.83 177.74 1w2g h GLY 22 N 0.24 1.41 1.08 -3.77 0.00 -0.17 -0.91 103.07 100.94 1w2g h GLY 22 Ca 0.08 -0.46 -0.11 0.00 0.00 0.00 0.00 47.33 46.83 1w2g h GLY 22 CO -0.01 0.37 -0.12 0.00 0.00 0.00 0.00 176.54 176.78 1w2g h ALA 23 N 1.40 0.71 -0.54 3.60 0.00 -0.55 -1.71 119.26 122.17 1w2g h ALA 23 Ca 0.39 -0.35 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1w2g h ALA 23 Cb 0.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1w2g h ALA 23 CO -0.14 0.63 -0.01 0.74 0.00 0.00 0.00 179.25 180.46 1w2g h PHE 24 N 0.85 1.06 -0.29 0.00 0.05 -0.66 -1.83 116.94 116.11 1w2g h PHE 24 Ca 0.13 -0.19 -0.00 0.00 3.82 0.00 0.00 57.97 61.73 1w2g h PHE 24 Cb 0.68 -0.27 -0.01 0.00 2.00 0.00 0.00 35.95 38.35 1w2g h PHE 24 CO 0.05 0.97 0.17 0.00 -0.18 0.00 0.00 178.31 179.32 1w2g h ARG 25 N 0.84 0.40 -0.15 1.51 3.08 -1.08 -0.75 114.38 118.23 1w2g h ARG 25 Ca 0.15 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1w2g h ARG 25 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1w2g h ARG 25 CO 0.03 0.31 0.10 0.00 -1.07 0.00 0.00 179.97 179.34 1w2g h ALA 26 N 1.06 2.06 -0.00 0.04 0.00 -1.19 0.24 119.26 121.47 1w2g h ALA 26 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1w2g h ALA 26 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1w2g h ALA 26 CO -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.14 1w2g n ALA 27 N -2.55 2.62 -1.97 0.00 0.00 -0.37 -4.88 120.51 113.36 1w2g n ALA 27 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1w2g n ALA 27 Cb 0.18 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.31 1w2g n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2g n GLY 28 N 0.81 0.65 3.18 0.00 0.00 0.84 -5.06 105.19 105.61 1w2g n GLY 28 Ca 0.15 -0.75 -0.24 0.00 0.00 0.00 0.00 46.02 45.18 1w2g n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g s ARG 29 N -4.01 1.29 0.21 1.61 0.52 -0.73 -5.02 118.95 112.83 1w2g s ARG 29 Ca 0.00 -0.72 -0.28 0.00 -0.52 0.00 0.00 55.73 54.21 1w2g s ARG 29 Cb 0.00 -1.30 -0.09 0.00 0.52 0.00 0.00 34.95 34.09 1w2g s ARG 29 CO 0.00 0.34 0.87 -1.54 0.02 0.00 0.00 175.30 174.99 1w2g s SER 30 N -0.74 7.54 -0.02 0.23 1.04 -1.26 -3.52 113.70 116.97 1w2g s SER 30 Ca 0.06 1.82 0.03 0.00 0.48 0.00 0.00 55.95 58.34 1w2g s SER 30 Cb -0.07 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.48 1w2g s SER 30 CO 0.00 0.18 -0.10 -0.69 0.98 0.00 0.00 173.24 173.61 1w2g s VAL 31 N -1.17 0.87 0.08 5.02 1.01 -1.26 -1.49 120.40 123.47 1w2g s VAL 31 Ca 0.39 -0.43 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1w2g s VAL 31 Cb -0.25 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 1w2g s VAL 31 CO 0.30 0.26 -0.20 0.00 0.00 0.00 0.00 175.10 175.45 1w2g s ALA 32 N 0.04 1.74 0.11 5.51 0.00 -0.47 -5.01 121.76 123.67 1w2g s ALA 32 Ca -0.01 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 50.82 1w2g s ALA 32 Cb -0.07 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1w2g s ALA 32 CO 0.00 0.35 -0.11 0.95 0.00 0.00 0.00 175.76 176.96 1w2g s THR 33 N -1.07 1.03 -0.06 0.00 -4.23 -1.26 -0.87 115.64 109.18 1w2g s THR 33 Ca 0.06 -1.69 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1w2g s THR 33 Cb -0.10 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1w2g s THR 33 CO 0.03 -0.55 0.30 -0.22 -0.54 0.00 0.00 174.62 173.64 1w2g s LEU 34 N -2.51 0.90 0.02 4.79 2.96 -0.75 -4.95 118.68 119.13 1w2g s LEU 34 Ca 0.07 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.34 1w2g s LEU 34 Cb -0.03 1.13 -0.02 0.00 0.50 0.00 0.00 46.19 47.77 1w2g s LEU 34 CO 0.01 -0.30 -0.22 0.00 -1.32 0.00 0.00 176.35 174.52 1w2g s ALA 35 N -0.71 1.82 0.04 5.97 0.00 -1.26 -0.69 121.76 126.93 1w2g s ALA 35 Ca -0.08 -1.02 0.08 0.00 0.00 0.00 0.00 51.96 50.94 1w2g s ALA 35 Cb -0.04 -0.41 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 1w2g s ALA 35 CO 0.02 0.43 -0.23 -0.06 0.00 0.00 0.00 175.76 175.92 1w2g s PHE 36 N -0.66 2.06 0.57 0.00 0.08 -0.45 -3.91 117.98 115.66 1w2g s PHE 36 Ca 0.08 -0.39 -0.19 0.00 0.12 0.00 0.00 56.93 56.56 1w2g s PHE 36 Cb -0.09 -1.23 -0.05 0.00 -0.57 0.00 0.00 43.02 41.09 1w2g s PHE 36 CO 0.01 0.10 1.13 -2.14 -0.10 0.00 0.00 175.22 174.22 1w2g s PRO 37 N -1.18 3.23 -1.49 0.24 0.02 -1.26 -4.63 135.00 129.92 1w2g s PRO 37 Ca 0.10 1.57 -0.12 0.00 0.02 0.00 0.00 61.00 62.57 1w2g s PRO 37 Cb -0.09 -1.99 0.01 0.00 0.02 0.00 0.00 34.50 32.45 1w2g s PRO 37 CO 0.02 -0.94 2.45 0.54 -0.33 0.00 0.00 177.00 178.74 1w2g n ARG 38 N -1.54 3.32 -1.64 5.54 1.74 -1.25 -4.95 116.66 117.88 1w2g n ARG 38 Ca 0.11 -2.61 -0.46 0.00 -0.77 0.00 0.00 57.85 54.12 1w2g n ARG 38 Cb 0.51 -3.05 -0.03 0.00 -1.02 0.00 0.00 32.46 28.87 1w2g n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1w2g n TYR 39 N 4.76 1.89 -0.33 -1.55 0.53 -1.26 -0.58 117.16 120.63 1w2g n TYR 39 Ca 0.61 0.50 0.00 0.00 -1.02 0.00 0.00 57.90 57.98 1w2g n TYR 39 Cb 0.32 -2.41 0.00 0.00 -1.03 0.00 0.00 39.34 36.23 1w2g n TYR 39 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1w2g n GLY 40 N 2.23 2.08 0.03 2.72 0.00 -1.26 -4.79 105.19 106.18 1w2g n GLY 40 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.18 1w2g n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1w2g n GLN 41 N -2.00 0.85 -3.85 1.61 6.02 0.25 -5.02 117.38 115.23 1w2g n GLN 41 Ca 0.00 -0.10 -0.12 0.00 -0.01 0.00 0.00 57.00 56.78 1w2g n GLN 41 Cb 0.00 -1.35 -0.11 0.00 1.02 0.00 0.00 30.24 29.80 1w2g n GLN 41 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1w2g s SER 42 N -4.00 -0.04 0.18 1.08 1.04 -1.13 -5.05 113.70 105.78 1w2g s SER 42 Ca -0.06 -0.03 -0.13 0.00 0.48 0.00 0.00 55.95 56.22 1w2g s SER 42 Cb 0.08 0.25 0.09 0.00 0.10 0.00 0.00 66.02 66.54 1w2g s SER 42 CO 0.60 -0.27 1.83 -0.37 0.98 0.00 0.00 173.24 176.02 1w2g h VAL 43 N 4.47 1.17 -0.78 5.02 -1.51 -1.95 -2.12 116.25 120.55 1w2g h VAL 43 Ca -0.29 -0.35 0.06 0.00 -1.23 0.00 0.00 66.70 64.89 1w2g h VAL 43 Cb 1.20 0.31 -0.06 0.00 -2.13 0.00 0.00 31.29 30.61 1w2g h VAL 43 CO 0.40 0.17 0.47 0.00 -1.23 0.00 0.00 177.57 177.39 1w2g h ALA 44 N 1.20 1.07 -0.04 5.19 0.00 -1.93 0.09 119.26 124.83 1w2g h ALA 44 Ca 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1w2g h ALA 44 Cb -0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1w2g h ALA 44 CO -0.04 0.19 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1w2g h ALA 45 N 1.38 0.06 -0.59 0.00 0.00 -1.72 -1.96 119.26 116.43 1w2g h ALA 45 Ca 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1w2g h ALA 45 Cb 0.18 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1w2g h ALA 45 CO -0.18 -0.29 0.28 -0.44 0.00 0.00 0.00 179.25 178.62 1w2g h ASP 46 N -0.20 0.77 -0.71 0.00 3.45 -1.05 -0.39 116.42 118.29 1w2g h ASP 46 Ca 0.01 -0.13 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1w2g h ASP 46 Cb 0.29 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.83 1w2g h ASP 46 CO 0.00 0.69 0.40 0.40 -1.57 0.00 0.00 179.24 179.16 1w2g h ILE 47 N 0.80 1.22 -0.26 0.35 2.04 -1.01 0.83 117.51 121.48 1w2g h ILE 47 Ca 0.20 -0.53 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1w2g h ILE 47 Cb 0.12 0.26 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1w2g h ILE 47 CO -0.03 0.24 0.16 0.00 0.00 0.00 0.00 178.15 178.52 1w2g h ALA 48 N 1.20 0.33 -0.50 1.87 0.00 -0.89 0.23 119.26 121.50 1w2g h ALA 48 Ca 0.25 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1w2g h ALA 48 Cb 0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1w2g h ALA 48 CO -0.04 -0.17 0.27 0.00 0.00 0.00 0.00 179.25 179.31 1w2g h ALA 49 N 1.06 0.64 -0.38 0.00 0.00 -0.67 -1.35 119.26 118.56 1w2g h ALA 49 Ca 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w2g h ALA 49 Cb 0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1w2g h ALA 49 CO -0.02 0.17 0.21 0.93 0.00 0.00 0.00 179.25 180.55 1w2g h GLU 50 N 0.67 0.53 -0.41 0.00 5.08 -0.54 -2.01 114.58 117.89 1w2g h GLU 50 Ca 0.18 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1w2g h GLU 50 Cb 0.06 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1w2g h GLU 50 CO -0.03 0.43 0.28 0.00 -1.00 0.00 0.00 179.01 178.69 1w2g h ALA 51 N 1.07 1.87 0.00 3.43 0.00 -0.23 0.28 119.26 125.68 1w2g h ALA 51 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1w2g h ALA 51 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1w2g h ALA 51 CO -0.02 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1w2g n LEU 52 N -4.48 0.39 -1.31 0.00 4.77 -0.54 -2.19 117.00 113.64 1w2g n LEU 52 Ca 0.04 0.58 0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1w2g n LEU 52 Cb 0.17 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.09 1w2g n LEU 52 CO 0.35 -0.32 0.78 1.41 -1.33 0.00 0.00 177.39 178.28 1w2g n HIS 53 N -1.91 1.39 -0.60 -1.77 8.25 0.92 -0.12 115.22 121.38 1w2g n HIS 53 Ca 0.04 -0.78 0.00 0.00 -0.26 0.00 0.00 57.72 56.72 1w2g n HIS 53 Cb 0.26 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.00 1w2g n HIS 53 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w2g n GLY 54 N 0.10 0.73 3.96 -1.41 0.00 -0.93 -5.03 105.19 102.61 1w2g n GLY 54 Ca 0.24 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.03 1w2g n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1w2g s GLU 55 N -0.40 2.41 -1.06 1.61 2.02 -0.72 -4.64 118.70 117.93 1w2g s GLU 55 Ca 0.00 -0.65 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 1w2g s GLU 55 Cb 0.00 -2.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.83 1w2g s GLU 55 CO 0.00 -0.89 0.89 0.72 0.02 0.00 0.00 175.26 176.00 1w2g n HIS 56 N -2.52 -2.01 0.00 1.61 8.25 -1.26 -4.09 115.22 115.20 1w2g n HIS 56 Ca 0.08 0.83 0.00 0.00 -0.26 0.00 0.00 57.72 58.38 1w2g n HIS 56 Cb 0.60 -4.66 0.00 0.00 1.12 0.00 0.00 29.99 27.05 1w2g n HIS 56 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1w2g n GLY 57 N -1.14 2.50 1.05 -1.41 0.00 -1.26 -1.70 105.19 103.23 1w2g n GLY 57 Ca -0.23 0.28 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1w2g n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1w2g n ASP 58 N 3.09 3.03 0.00 1.61 5.68 -1.26 -4.56 116.55 124.15 1w2g n ASP 58 Ca 0.00 -2.20 -0.10 0.00 -0.50 0.00 0.00 54.79 51.99 1w2g n ASP 58 Cb 0.00 -0.42 -0.03 0.00 -1.14 0.00 0.00 41.12 39.53 1w2g n ASP 58 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1w2g h LEU 59 N 2.69 -0.61 -2.13 -2.12 6.46 -1.62 -2.40 115.31 115.57 1w2g h LEU 59 Ca 0.00 0.10 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 1w2g h LEU 59 Cb 0.91 0.28 -0.00 0.00 -0.73 0.00 0.00 40.66 41.11 1w2g h LEU 59 CO 0.11 -0.25 -0.01 0.00 -0.62 0.00 0.00 178.44 177.67 1w2g h ALA 60 N 0.74 1.02 0.00 1.25 0.00 -1.81 -2.48 119.26 117.99 1w2g h ALA 60 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1w2g h ALA 60 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1w2g h ALA 60 CO -0.27 0.01 0.00 0.66 0.00 0.00 0.00 179.25 179.65 1w2g h SER 61 N 0.00 0.00 -3.72 0.00 4.64 -1.75 -3.40 113.55 109.31 1w2g h SER 61 Ca -0.00 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.66 1w2g h SER 61 Cb 0.29 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.20 1w2g h SER 61 CO 0.00 0.00 -0.39 -0.55 -0.87 0.00 0.00 176.83 175.02 1w2g s SER 62 N -4.49 6.12 0.10 4.97 0.15 -0.93 -4.98 113.70 114.64 1w2g s SER 62 Ca 0.02 -0.24 -0.20 0.00 0.70 0.00 0.00 55.95 56.23 1w2g s SER 62 Cb 0.09 -2.16 -0.09 0.00 -1.71 0.00 0.00 66.02 62.15 1w2g s SER 62 CO 0.39 -0.25 1.70 0.58 1.20 0.00 0.00 173.24 176.86 1w2g h VAL 63 N 5.49 1.10 0.00 4.45 2.07 -1.87 -2.42 116.25 125.07 1w2g h VAL 63 Ca -0.31 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 66.88 1w2g h VAL 63 Cb 1.16 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1w2g h VAL 63 CO 0.65 0.10 -0.23 1.88 0.02 0.00 0.00 177.57 179.99 1w2g h TYR 64 N 0.18 0.00 -0.08 1.57 -1.99 -1.96 -1.64 116.97 113.05 1w2g h TYR 64 Ca 0.06 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.75 1w2g h TYR 64 Cb 0.07 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.80 1w2g h TYR 64 CO -0.04 0.23 -0.12 0.00 -0.00 0.00 0.00 178.16 178.22 1w2g h ALA 65 N 1.77 0.12 -0.49 3.88 0.00 -1.83 -0.12 119.26 122.59 1w2g h ALA 65 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1w2g h ALA 65 Cb 0.61 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1w2g h ALA 65 CO 0.03 -0.00 0.25 0.52 0.00 0.00 0.00 179.25 180.05 1w2g h MET 66 N -0.23 0.69 -0.64 0.00 2.86 -1.30 -1.55 114.93 114.76 1w2g h MET 66 Ca 0.01 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 1w2g h MET 66 Cb 0.68 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 32.18 1w2g h MET 66 CO 0.03 0.56 0.42 0.00 1.06 0.00 0.00 176.91 178.98 1w2g h ALA 67 N 1.09 0.82 -0.79 6.32 0.00 -1.28 -2.07 119.26 123.35 1w2g h ALA 67 Ca 0.17 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1w2g h ALA 67 Cb 0.08 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1w2g h ALA 67 CO -0.02 0.25 0.42 1.15 0.00 0.00 0.00 179.25 181.04 1w2g h THR 68 N 0.87 1.24 -0.37 0.00 2.02 -0.65 -0.72 112.91 115.31 1w2g h THR 68 Ca 0.24 -0.61 -0.03 0.00 0.77 0.00 0.00 66.41 66.77 1w2g h THR 68 Cb -0.10 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.48 1w2g h THR 68 CO -0.05 0.27 0.12 -0.07 0.37 0.00 0.00 175.52 176.16 1w2g h LEU 69 N 1.11 0.53 -1.07 2.58 3.38 -0.71 0.11 115.31 121.25 1w2g h LEU 69 Ca 0.28 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1w2g h LEU 69 Cb 0.05 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1w2g h LEU 69 CO -0.04 0.59 -0.25 -0.26 0.09 0.00 0.00 178.44 178.57 1w2g h PHE 70 N 0.44 0.40 -0.31 1.13 0.05 -1.15 -1.22 116.94 116.28 1w2g h PHE 70 Ca 0.12 -0.08 -0.11 0.00 3.82 0.00 0.00 57.97 61.72 1w2g h PHE 70 Cb 0.25 -0.10 -0.01 0.00 2.00 0.00 0.00 35.95 38.09 1w2g h PHE 70 CO 0.01 0.58 -0.25 0.00 -0.18 0.00 0.00 178.31 178.47 1w2g h ALA 71 N 1.42 0.45 0.00 2.45 0.00 -0.82 -2.38 119.26 120.39 1w2g h ALA 71 Ca 0.05 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 1w2g h ALA 71 Cb 0.62 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1w2g h ALA 71 CO 0.04 0.44 -0.26 -0.07 0.00 0.00 0.00 179.25 179.41 1w2g h LEU 72 N 0.48 0.00 -0.24 0.00 3.38 -0.46 0.11 115.31 118.59 1w2g h LEU 72 Ca 0.06 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1w2g h LEU 72 Cb 0.81 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 1w2g h LEU 72 CO 0.07 0.26 -0.09 -0.78 0.09 0.00 0.00 178.44 177.99 1w2g h ASP 73 N 0.00 0.49 -0.25 -0.43 3.58 -1.05 -2.51 116.42 116.25 1w2g h ASP 73 Ca -0.00 -0.39 -0.08 0.00 0.42 0.00 0.00 57.03 56.97 1w2g h ASP 73 Cb 0.53 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 1w2g h ASP 73 CO 0.03 0.77 -0.12 0.03 -2.88 0.00 0.00 179.24 177.07 1w2g h ARG 74 N 0.20 0.66 -0.75 0.28 3.08 -0.88 -2.43 114.38 114.54 1w2g h ARG 74 Ca 0.06 -0.21 0.07 0.00 0.07 0.00 0.00 59.98 59.97 1w2g h ARG 74 Cb 0.57 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 1w2g h ARG 74 CO 0.03 0.76 0.49 0.00 -1.07 0.00 0.00 179.97 180.18 1w2g h ALA 75 N 1.28 1.71 0.00 0.04 0.00 -0.60 0.15 119.26 121.83 1w2g h ALA 75 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1w2g h ALA 75 Cb 0.55 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1w2g h ALA 75 CO 0.03 0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.86 1w2g n GLY 76 N -1.45 -1.48 0.69 0.00 0.00 -0.93 -2.85 105.19 99.17 1w2g n GLY 76 Ca 0.11 0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1w2g n GLY 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1w2g n ALA 77 N -1.79 2.84 -0.20 4.61 0.00 0.48 -4.51 120.51 121.94 1w2g n ALA 77 Ca 0.04 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1w2g n ALA 77 Cb 0.32 -0.89 0.11 0.00 0.00 0.00 0.00 19.45 18.98 1w2g n ALA 77 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1w2g h VAL 78 N 3.38 0.70 -0.58 0.00 2.07 -1.31 0.13 116.25 120.63 1w2g h VAL 78 Ca 0.00 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1w2g h VAL 78 Cb 0.81 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 1w2g h VAL 78 CO 0.00 0.06 0.25 -0.74 0.02 0.00 0.00 177.57 177.16 1w2g h HIS 79 N 0.32 0.83 -0.20 1.57 -0.00 -1.83 -0.10 115.15 115.74 1w2g h HIS 79 Ca 0.31 -0.04 -0.05 0.00 -0.00 0.00 0.00 60.37 60.59 1w2g h HIS 79 Cb 0.42 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 1w2g h HIS 79 CO -0.21 0.63 -0.07 1.15 -0.00 0.00 0.00 177.93 179.43 1w2g h THR 80 N 0.82 1.30 -0.73 6.26 2.02 -1.46 -1.59 112.91 119.53 1w2g h THR 80 Ca 0.20 -1.10 -0.01 0.00 0.77 0.00 0.00 66.41 66.26 1w2g h THR 80 Cb 0.13 1.61 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1w2g h THR 80 CO -0.02 0.33 0.40 0.40 0.37 0.00 0.00 175.52 177.00 1w2g h ILE 81 N 0.10 1.22 -0.67 3.11 2.04 -0.39 -1.14 117.51 121.78 1w2g h ILE 81 Ca 0.05 -0.55 -0.07 0.00 1.00 0.00 0.00 64.86 65.28 1w2g h ILE 81 Cb 0.54 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1w2g h ILE 81 CO 0.02 0.25 0.13 1.56 0.00 0.00 0.00 178.15 180.11 1w2g h GLN 82 N 1.00 1.09 -0.23 2.37 4.20 -0.97 -0.82 115.11 121.74 1w2g h GLN 82 Ca 0.26 -0.28 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1w2g h GLN 82 Cb 0.04 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1w2g h GLN 82 CO -0.04 0.98 0.12 0.78 -0.67 0.00 0.00 178.83 180.00 1w2g h GLY 83 N 1.06 0.36 1.01 3.46 0.00 -0.85 -1.88 103.07 106.23 1w2g h GLY 83 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1w2g h GLY 83 CO 0.01 0.16 0.54 1.41 0.00 0.00 0.00 176.54 178.65 1w2g h LEU 84 N 0.26 0.98 -1.72 3.11 3.38 -0.96 -1.55 115.31 118.82 1w2g h LEU 84 Ca 0.08 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1w2g h LEU 84 Cb 0.09 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1w2g h LEU 84 CO -0.01 0.73 -0.16 0.00 0.09 0.00 0.00 178.44 179.09 1w2g h ARG 86 N 0.00 0.00 0.00 0.00 3.08 -0.64 -3.38 114.38 113.44 1w2g h ARG 86 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1w2g h ARG 86 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1w2g h ARG 86 CO 0.02 0.61 -1.72 0.41 -1.07 0.00 0.00 179.97 178.22 1w2g n GLY 87 N 1.35 -0.93 3.34 0.04 0.00 -0.65 -5.00 105.19 103.35 1w2g n GLY 87 Ca -0.04 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.21 1w2g n GLY 87 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1w2g s TYR 88 N -3.31 2.03 0.16 1.61 1.51 0.24 -5.04 117.35 114.55 1w2g s TYR 88 Ca -0.04 -0.40 -0.09 0.00 -1.01 0.00 0.00 57.07 55.53 1w2g s TYR 88 Cb 0.14 -1.09 0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1w2g s TYR 88 CO 0.85 0.29 1.51 -0.44 -1.11 0.00 0.00 175.55 176.65 1w2g h ASP 89 N 3.89 0.94 -3.66 2.29 3.32 -1.78 -3.42 116.42 118.00 1w2g h ASP 89 Ca -0.48 -0.41 -0.43 0.00 0.02 0.00 0.00 57.03 55.73 1w2g h ASP 89 Cb 1.18 -0.26 -0.32 0.00 0.22 0.00 0.00 39.33 40.15 1w2g h ASP 89 CO 0.41 1.19 -0.78 -0.69 -1.72 0.00 0.00 179.24 177.64 1w2g s VAL 90 N -4.43 0.74 -0.20 -1.35 1.01 -0.55 -0.19 120.40 115.43 1w2g s VAL 90 Ca -0.10 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.59 1w2g s VAL 90 Cb 0.12 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.84 1w2g s VAL 90 CO 0.87 0.25 -0.16 -0.69 0.00 0.00 0.00 175.10 175.37 1w2g s VAL 91 N 0.46 2.00 -0.22 2.92 1.01 0.06 -1.37 120.40 125.27 1w2g s VAL 91 Ca -0.07 -1.10 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 1w2g s VAL 91 Cb -0.11 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1w2g s VAL 91 CO 0.01 0.35 0.04 -0.63 0.00 0.00 0.00 175.10 174.87 1w2g s ILE 92 N 1.27 4.21 -0.21 2.22 1.01 -0.05 -0.20 121.20 129.44 1w2g s ILE 92 Ca 0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 60.65 60.37 1w2g s ILE 92 Cb -0.15 -2.93 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1w2g s ILE 92 CO -0.10 0.40 0.05 -0.76 0.00 0.00 0.00 174.94 174.53 1w2g s LEU 93 N 1.14 3.55 -0.68 2.97 1.43 0.17 -1.81 118.68 125.46 1w2g s LEU 93 Ca 0.04 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 52.81 1w2g s LEU 93 Cb -0.14 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.22 1w2g s LEU 93 CO 0.02 0.07 1.02 -0.62 0.23 0.00 0.00 176.35 177.07 1w2g s ASP 94 N 1.00 6.18 0.01 2.29 3.68 0.14 0.37 116.67 130.33 1w2g s ASP 94 Ca 0.04 -0.92 0.00 0.00 2.13 0.00 0.00 52.55 53.79 1w2g s ASP 94 Cb -0.14 -2.44 0.00 0.00 -1.45 0.00 0.00 42.92 38.89 1w2g s ASP 94 CO 0.03 -1.50 0.00 0.54 0.13 0.00 0.00 175.17 174.37 1w2g n ARG 95 N 7.97 -0.06 0.00 4.34 1.74 0.13 -1.35 116.66 129.43 1w2g n ARG 95 Ca -0.02 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 1w2g n ARG 95 Cb 0.46 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.85 1w2g n ARG 95 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1w2g n TYR 96 N -0.69 0.00 -0.24 -1.55 9.36 -1.26 -4.09 117.16 118.69 1w2g n TYR 96 Ca 0.00 0.00 0.10 0.00 3.32 0.00 0.00 57.90 61.32 1w2g n TYR 96 Cb 0.00 0.00 0.37 0.00 -0.63 0.00 0.00 39.34 39.08 1w2g n TYR 96 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1w2g h VAL 97 N 0.00 0.89 0.00 2.97 2.07 -1.99 -1.81 116.25 118.38 1w2g h VAL 97 Ca 0.00 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1w2g h VAL 97 Cb 0.00 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.89 1w2g h VAL 97 CO 0.00 0.13 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 1w2g h ALA 98 N 1.60 1.64 -0.98 1.67 0.00 -1.97 -1.66 119.26 119.56 1w2g h ALA 98 Ca 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1w2g h ALA 98 Cb 0.58 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1w2g h ALA 98 CO -0.17 0.06 0.62 0.77 0.00 0.00 0.00 179.25 180.53 1w2g h SER 99 N 0.00 1.14 -0.53 0.00 0.02 -1.73 0.28 113.55 112.74 1w2g h SER 99 Ca -0.00 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 1w2g h SER 99 Cb 0.10 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1w2g h SER 99 CO 0.01 0.85 -0.14 -1.13 -1.14 0.00 0.00 176.83 175.28 1w2g h ASN 100 N 1.33 1.03 -0.45 3.07 -1.24 -1.43 -1.18 115.58 116.72 1w2g h ASN 100 Ca 0.35 -0.36 -0.11 0.00 0.71 0.00 0.00 56.30 56.89 1w2g h ASN 100 Cb -0.12 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.64 1w2g h ASN 100 CO -0.07 1.16 -0.16 0.00 -1.29 0.00 0.00 177.43 177.06 1w2g h ALA 101 N 0.91 0.62 -0.03 1.57 0.00 -1.28 -1.86 119.26 119.19 1w2g h ALA 101 Ca 0.13 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1w2g h ALA 101 Cb 0.71 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1w2g h ALA 101 CO 0.05 0.56 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 1w2g h ALA 102 N 0.85 0.04 -0.46 0.00 0.00 -0.84 -2.19 119.26 116.66 1w2g h ALA 102 Ca 0.11 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1w2g h ALA 102 Cb 0.72 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1w2g h ALA 102 CO 0.06 -0.23 -0.23 1.88 0.00 0.00 0.00 179.25 180.72 1w2g h TYR 103 N -0.34 1.13 -0.31 0.00 -1.99 -1.28 -1.83 116.97 112.35 1w2g h TYR 103 Ca 0.01 -0.28 -0.03 0.00 2.00 0.00 0.00 58.73 60.42 1w2g h TYR 103 Cb 0.44 -0.26 -0.01 0.00 2.00 0.00 0.00 36.73 38.90 1w2g h TYR 103 CO 0.07 1.11 0.06 0.77 -0.00 0.00 0.00 178.16 180.17 1w2g h SER 104 N 0.83 0.48 -0.59 3.88 0.02 -1.40 -0.75 113.55 116.02 1w2g h SER 104 Ca 0.10 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.74 1w2g h SER 104 Cb 0.82 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1w2g h SER 104 CO 0.07 0.61 0.15 0.00 -1.14 0.00 0.00 176.83 176.52 1w2g h ALA 105 N 0.89 0.77 -0.46 3.77 0.00 -1.41 -2.44 119.26 120.38 1w2g h ALA 105 Ca 0.09 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1w2g h ALA 105 Cb 0.33 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1w2g h ALA 105 CO 0.00 0.47 0.28 0.00 0.00 0.00 0.00 179.25 180.01 1w2g h ALA 106 N 1.04 0.58 -0.01 0.00 0.00 -1.16 0.28 119.26 119.98 1w2g h ALA 106 Ca 0.19 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1w2g h ALA 106 Cb 0.34 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1w2g h ALA 106 CO 0.00 0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.20 1w2g h ARG 107 N 0.61 0.02 -0.08 0.00 3.08 -0.98 -1.91 114.38 115.11 1w2g h ARG 107 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1w2g h ARG 107 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1w2g h ARG 107 CO -0.03 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.30 1w2g n LEU 108 N -4.38 2.18 -2.79 3.04 4.77 -0.87 -4.93 117.00 114.03 1w2g n LEU 108 Ca -0.02 -0.78 -0.21 0.00 -0.03 0.00 0.00 56.01 54.96 1w2g n LEU 108 Cb 0.20 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 1w2g n LEU 108 CO 0.36 0.39 -0.05 1.41 -1.33 0.00 0.00 177.39 178.17 1w2g n HIS 109 N 0.69 -1.71 -3.16 -1.77 8.25 -0.10 -5.00 115.22 112.42 1w2g n HIS 109 Ca 0.17 0.40 -0.19 0.00 -0.26 0.00 0.00 57.72 57.84 1w2g n HIS 109 Cb 0.45 -4.30 0.02 0.00 1.12 0.00 0.00 29.99 27.29 1w2g n HIS 109 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1w2g s GLU 110 N -5.53 2.54 0.49 -0.41 2.02 0.80 -5.01 118.70 113.60 1w2g s GLU 110 Ca 0.23 -1.50 0.04 0.00 0.02 0.00 0.00 54.97 53.77 1w2g s GLU 110 Cb -0.10 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.50 1w2g s GLU 110 CO 0.29 -0.52 0.16 0.54 0.02 0.00 0.00 175.26 175.75 1w2g s ASN 111 N -4.44 4.32 0.57 -0.19 2.20 -1.26 -4.37 114.94 111.76 1w2g s ASN 111 Ca 0.55 -1.38 0.30 0.00 -0.94 0.00 0.00 52.86 51.39 1w2g s ASN 111 Cb -0.07 0.18 1.46 0.00 -2.00 0.00 0.00 41.25 40.82 1w2g s ASN 111 CO 0.34 -0.82 1.89 0.00 -2.94 0.00 0.00 177.10 175.56 1w2g h ALA 112 N 1.23 2.47 -0.48 3.54 0.00 -1.92 0.51 119.26 124.61 1w2g h ALA 112 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1w2g h ALA 112 Cb 1.29 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1w2g h ALA 112 CO 0.69 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 179.06 1w2g n ALA 113 N -2.50 2.73 -1.61 0.00 0.00 -1.26 -4.76 120.51 113.10 1w2g n ALA 113 Ca 0.13 -1.02 -0.13 0.00 0.00 0.00 0.00 53.44 52.42 1w2g n ALA 113 Cb 0.80 -1.00 0.12 0.00 0.00 0.00 0.00 19.45 19.36 1w2g n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1w2g n GLY 114 N 1.05 -1.18 0.10 0.00 0.00 0.18 -4.95 105.19 100.39 1w2g n GLY 114 Ca 0.18 -1.72 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1w2g n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g h LYS 115 N 0.00 0.22 -0.70 1.61 1.79 -1.93 -2.96 116.57 114.60 1w2g h LYS 115 Ca -0.25 -0.10 -0.01 0.00 -2.18 0.00 0.00 60.65 58.11 1w2g h LYS 115 Cb 0.69 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.30 1w2g h LYS 115 CO 0.18 0.59 0.40 0.00 -1.08 0.00 0.00 179.45 179.55 1w2g h ALA 116 N 0.62 0.90 -0.26 3.86 0.00 -1.94 0.16 119.26 122.59 1w2g h ALA 116 Ca 0.02 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1w2g h ALA 116 Cb 0.53 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1w2g h ALA 116 CO 0.02 0.39 -0.07 0.00 0.00 0.00 0.00 179.25 179.58 1w2g h ALA 117 N 1.21 1.39 -0.07 0.00 0.00 -1.80 -0.28 119.26 119.71 1w2g h ALA 117 Ca 0.25 -0.22 -0.22 0.00 0.00 0.00 0.00 54.91 54.72 1w2g h ALA 117 Cb 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1w2g h ALA 117 CO -0.04 0.42 -0.85 0.00 0.00 0.00 0.00 179.25 178.78 1w2g h ALA 118 N 1.53 0.39 -0.34 0.00 0.00 -1.23 -3.00 119.26 116.61 1w2g h ALA 118 Ca 0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1w2g h ALA 118 Cb 0.38 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1w2g h ALA 118 CO 0.02 0.74 0.11 2.35 0.00 0.00 0.00 179.25 182.47 1w2g h TRP 119 N 0.35 0.55 -1.00 0.00 7.01 -0.23 -2.04 115.95 120.59 1w2g h TRP 119 Ca -0.06 -0.05 0.09 0.00 2.11 0.00 0.00 58.89 60.97 1w2g h TRP 119 Cb 1.47 -0.16 -0.07 0.00 -2.10 0.00 0.00 29.16 28.29 1w2g h TRP 119 CO 0.07 0.54 0.64 0.28 -2.79 0.00 0.00 178.44 177.17 1w2g h VAL 120 N 0.40 1.02 -0.43 2.65 2.07 -1.06 0.09 116.25 120.98 1w2g h VAL 120 Ca 0.11 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 67.12 1w2g h VAL 120 Cb 0.24 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 1w2g h VAL 120 CO -0.00 0.20 -0.26 -0.61 0.02 0.00 0.00 177.57 176.92 1w2g h GLN 121 N 1.09 0.93 -0.61 1.57 4.15 -1.35 -1.14 115.11 119.75 1w2g h GLN 121 Ca 0.46 -0.43 -0.09 0.00 0.77 0.00 0.00 58.65 59.36 1w2g h GLN 121 Cb 0.31 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 1w2g h GLN 121 CO -0.21 1.09 0.04 0.00 -1.93 0.00 0.00 178.83 177.82 1w2g h ARG 122 N 0.76 1.04 0.01 1.69 3.08 -0.61 -3.03 114.38 117.33 1w2g h ARG 122 Ca 0.09 -0.30 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 1w2g h ARG 122 Cb 0.84 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1w2g h ARG 122 CO 0.07 0.99 -0.00 0.82 -1.07 0.00 0.00 179.97 180.78 1w2g h ILE 123 N 0.96 0.10 -0.11 2.04 1.08 -0.99 -3.16 117.51 117.43 1w2g h ILE 123 Ca 0.18 -1.07 -0.01 0.00 -0.39 0.00 0.00 64.86 63.57 1w2g h ILE 123 Cb 0.50 0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1w2g h ILE 123 CO 0.02 0.03 0.02 -0.33 -0.69 0.00 0.00 178.15 177.20 1w2g h GLU 124 N -1.00 0.18 0.01 2.37 5.08 -1.34 0.37 114.58 120.24 1w2g h GLU 124 Ca -0.00 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.17 1w2g h GLU 124 Cb 0.06 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.30 1w2g h GLU 124 CO 0.00 0.38 -0.55 0.74 -1.00 0.00 0.00 179.01 178.58 1w2g h PHE 125 N -0.05 0.54 0.00 4.33 0.05 -1.70 -1.18 116.94 118.93 1w2g h PHE 125 Ca 0.03 -0.30 -0.01 0.00 3.82 0.00 0.00 57.97 61.52 1w2g h PHE 125 Cb 0.29 -0.06 -0.00 0.00 2.00 0.00 0.00 35.95 38.18 1w2g h PHE 125 CO 0.02 1.12 -0.35 0.00 -0.18 0.00 0.00 178.31 178.92 1w2g h ALA 126 N 0.29 0.01 -0.36 2.45 0.00 -1.67 -3.12 119.26 116.86 1w2g h ALA 126 Ca -0.07 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1w2g h ALA 126 Cb 1.28 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.39 1w2g h ALA 126 CO 0.11 0.33 -0.19 0.00 0.00 0.00 0.00 179.25 179.50 1w2g h ARG 127 N -1.00 0.77 0.00 0.00 3.08 -1.39 -3.23 114.38 112.61 1w2g h ARG 127 Ca -0.01 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 59.70 1w2g h ARG 127 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1w2g h ARG 127 CO -0.01 0.96 -0.84 -0.07 -1.07 0.00 0.00 179.97 178.94 1w2g h LEU 128 N 0.56 0.00 0.70 3.04 3.38 -0.98 -3.49 115.31 118.52 1w2g h LEU 128 Ca 0.08 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 1w2g h LEU 128 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1w2g h LEU 128 CO 0.06 0.03 -0.18 0.61 0.09 0.00 0.00 178.44 179.04 1w2g n GLY 129 N 1.21 0.14 3.69 0.83 0.00 -0.98 -4.90 105.19 105.19 1w2g n GLY 129 Ca 0.01 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.04 1w2g n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1w2g s LEU 130 N -2.12 4.29 0.26 0.99 1.43 -0.48 -4.97 118.68 118.08 1w2g s LEU 130 Ca 0.03 1.76 -0.31 0.00 -1.03 0.00 0.00 54.13 54.58 1w2g s LEU 130 Cb -0.01 -3.56 -0.13 0.00 0.03 0.00 0.00 46.19 42.52 1w2g s LEU 130 CO 0.03 -0.50 1.50 -2.65 0.23 0.00 0.00 176.35 174.97 1w2g n PRO 131 N 4.84 2.36 -2.47 1.29 -0.02 -1.26 -4.47 135.00 135.27 1w2g n PRO 131 Ca 0.10 0.84 -0.41 0.00 -2.02 0.00 0.00 63.50 62.01 1w2g n PRO 131 Cb 0.47 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.35 1w2g n PRO 131 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1w2g s LYS 132 N -0.38 4.57 0.42 -0.52 1.02 -1.26 -5.00 119.74 118.60 1w2g s LYS 132 Ca 0.67 1.78 -0.24 0.00 0.02 0.00 0.00 55.97 58.20 1w2g s LYS 132 Cb -0.58 -3.25 -0.08 0.00 -0.52 0.00 0.00 37.83 33.40 1w2g s LYS 132 CO 0.48 0.06 1.13 -1.25 -0.92 0.00 0.00 175.35 174.84 1w2g s PRO 133 N -0.55 3.99 0.16 -1.68 0.04 -1.26 -4.92 135.00 130.78 1w2g s PRO 133 Ca 0.49 1.70 -0.08 0.00 0.04 0.00 0.00 61.00 63.16 1w2g s PRO 133 Cb -0.31 -2.54 0.02 0.00 0.04 0.00 0.00 34.50 31.71 1w2g s PRO 133 CO 0.37 -0.34 1.47 -0.44 0.04 0.00 0.00 177.00 178.10 1w2g h ASP 134 N 2.39 0.82 -3.84 6.66 3.32 -1.11 -3.44 116.42 121.22 1w2g h ASP 134 Ca -0.49 -0.42 -0.24 0.00 0.02 0.00 0.00 57.03 55.90 1w2g h ASP 134 Cb 1.23 -0.24 -0.28 0.00 0.22 0.00 0.00 39.33 40.27 1w2g h ASP 134 CO 0.62 1.18 -0.72 0.26 -1.72 0.00 0.00 179.24 178.86 1w2g s TRP 135 N -4.14 0.09 -0.22 4.55 0.52 -1.13 -4.10 118.94 114.52 1w2g s TRP 135 Ca -0.09 -0.05 0.02 0.00 0.02 0.00 0.00 56.10 56.00 1w2g s TRP 135 Cb 0.11 -0.06 0.04 0.00 -1.15 0.00 0.00 33.47 32.41 1w2g s TRP 135 CO 0.87 -0.01 -0.15 -0.65 0.02 0.00 0.00 176.95 177.02 1w2g s GLN 136 N -0.12 2.55 -0.35 4.98 -0.21 -0.25 -1.22 119.66 125.03 1w2g s GLN 136 Ca -0.01 -1.06 -0.13 0.00 0.02 0.00 0.00 55.36 54.18 1w2g s GLN 136 Cb -0.01 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 31.30 1w2g s GLN 136 CO -0.00 -0.39 0.24 0.08 -2.12 0.00 0.00 175.29 173.09 1w2g s VAL 137 N 1.22 5.14 -0.29 1.09 1.01 0.76 -1.72 120.40 127.60 1w2g s VAL 137 Ca -0.02 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1w2g s VAL 137 Cb -0.16 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.51 1w2g s VAL 137 CO -0.09 -0.07 0.64 -0.22 0.00 0.00 0.00 175.10 175.36 1w2g s LEU 138 N 1.69 4.12 -1.19 3.92 2.96 0.61 -0.96 118.68 129.82 1w2g s LEU 138 Ca 0.05 0.50 -0.13 0.00 -0.22 0.00 0.00 54.13 54.34 1w2g s LEU 138 Cb -0.18 -2.84 0.19 0.00 0.50 0.00 0.00 46.19 43.87 1w2g s LEU 138 CO 0.10 -0.46 1.37 -0.11 -1.32 0.00 0.00 176.35 175.93 1w2g n LEU 139 N 5.86 5.29 -4.75 -0.68 7.94 -0.12 -1.10 117.00 129.44 1w2g n LEU 139 Ca -0.01 -4.58 -0.41 0.00 -1.11 0.00 0.00 56.01 49.90 1w2g n LEU 139 Cb 0.49 -1.59 -0.02 0.00 0.53 0.00 0.00 43.42 42.82 1w2g n LEU 139 CO 0.45 0.86 1.02 0.00 -1.11 0.00 0.00 177.39 178.62 1w2g s ALA 140 N 0.96 3.55 -0.07 1.96 0.00 -1.12 -4.64 121.76 122.39 1w2g s ALA 140 Ca 0.40 1.25 -0.05 0.00 0.00 0.00 0.00 51.96 53.56 1w2g s ALA 140 Cb -0.04 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.60 1w2g s ALA 140 CO -0.01 -0.65 0.19 0.54 0.00 0.00 0.00 175.76 175.82 1w2g s VAL 141 N -0.50 -0.02 0.76 0.00 0.11 -1.26 -4.80 120.40 114.70 1w2g s VAL 141 Ca 0.54 0.06 -0.11 0.00 -2.93 0.00 0.00 61.98 59.54 1w2g s VAL 141 Cb -0.40 -0.28 0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1w2g s VAL 141 CO 0.47 0.02 1.10 -0.94 -3.33 0.00 0.00 175.10 172.42 1w2g s SER 142 N 0.51 4.51 0.25 3.54 1.04 -1.26 -4.79 113.70 117.50 1w2g s SER 142 Ca -0.03 1.87 -0.05 0.00 0.48 0.00 0.00 55.95 58.22 1w2g s SER 142 Cb -0.05 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 63.81 1w2g s SER 142 CO -0.03 -2.03 1.85 0.00 0.98 0.00 0.00 173.24 174.01 1w2g h ALA 143 N -0.99 1.18 -0.04 5.32 0.00 -1.95 0.92 119.26 123.70 1w2g h ALA 143 Ca -0.44 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.35 1w2g h ALA 143 Cb 1.24 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 1w2g h ALA 143 CO 0.51 0.63 -0.18 1.49 0.00 0.00 0.00 179.25 181.70 1w2g h GLU 144 N 1.14 -0.26 -0.25 0.00 4.81 -1.98 0.92 114.58 118.95 1w2g h GLU 144 Ca 0.28 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1w2g h GLU 144 Cb 0.10 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1w2g h GLU 144 CO -0.04 -0.18 -0.01 1.25 -0.73 0.00 0.00 179.01 179.31 1w2g h LEU 145 N -0.27 0.44 -0.91 1.64 5.85 -1.84 -1.70 115.31 118.51 1w2g h LEU 145 Ca 0.07 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1w2g h LEU 145 Cb 0.37 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1w2g h LEU 145 CO -0.20 0.65 0.59 0.00 -0.34 0.00 0.00 178.44 179.14 1w2g h ALA 146 N 0.81 1.15 -0.48 1.25 0.00 -0.59 -1.04 119.26 120.36 1w2g h ALA 146 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1w2g h ALA 146 Cb 0.43 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1w2g h ALA 146 CO 0.01 0.56 0.27 0.78 0.00 0.00 0.00 179.25 180.88 1w2g h GLY 147 N 1.24 0.69 0.68 0.00 0.00 0.11 -2.85 103.07 102.94 1w2g h GLY 147 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.37 1w2g h GLY 147 CO -0.07 0.28 -0.09 1.05 0.00 0.00 0.00 176.54 177.71 1w2g h GLU 148 N 0.66 -0.24 -5.00 4.80 4.11 -0.27 -3.51 114.58 115.13 1w2g h GLU 148 Ca 0.17 0.02 -0.63 0.00 0.07 0.00 0.00 59.36 58.99 1w2g h GLU 148 Cb 0.00 0.05 -0.16 0.00 0.50 0.00 0.00 28.75 29.15 1w2g h GLU 148 CO -0.03 0.08 -0.52 -0.98 0.07 0.00 0.00 179.01 177.63 1w2g s ARG 149 N -4.82 3.99 -0.45 1.06 1.70 -0.78 -5.12 118.95 114.53 1w2g s ARG 149 Ca -0.15 -0.31 0.06 0.00 -0.47 0.00 0.00 55.73 54.87 1w2g s ARG 149 Cb 0.03 -3.57 0.22 0.00 -0.57 0.00 0.00 34.95 31.06 1w2g s ARG 149 CO 0.60 -0.06 0.67 0.54 -1.08 0.00 0.00 175.30 175.97 1w2g n ARG 162 N 4.66 0.62 -0.82 3.89 5.12 -1.26 -5.00 116.66 123.86 1w2g n ARG 162 Ca -0.15 -2.44 -0.06 0.00 -1.93 0.00 0.00 57.85 53.27 1w2g n ARG 162 Cb 0.52 -1.43 0.03 0.00 -1.16 0.00 0.00 32.46 30.43 1w2g n ARG 162 CO 0.00 0.00 0.00 -0.40 -1.93 0.00 0.00 177.63 175.30 1w2g n ASP 163 N 2.02 0.20 -0.06 0.55 5.68 -1.26 -4.80 116.55 118.88 1w2g n ASP 163 Ca 0.17 -1.20 0.05 0.00 -0.50 0.00 0.00 54.79 53.31 1w2g n ASP 163 Cb 0.56 -0.18 0.40 0.00 -1.14 0.00 0.00 41.12 40.77 1w2g n ASP 163 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1w2g h ASN 164 N -0.23 0.54 0.00 -1.12 -0.26 -0.89 -1.63 115.58 111.99 1w2g h ASN 164 Ca -0.08 -0.01 -0.04 0.00 -0.56 0.00 0.00 56.30 55.61 1w2g h ASN 164 Cb 0.27 -0.13 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 1w2g h ASN 164 CO 0.08 0.38 -0.15 1.88 -1.06 0.00 0.00 177.43 178.56 1w2g h TYR 165 N 0.63 0.14 -0.71 1.19 -1.99 -1.94 -3.13 116.97 111.17 1w2g h TYR 165 Ca 0.20 -0.08 0.11 0.00 2.00 0.00 0.00 58.73 60.96 1w2g h TYR 165 Cb 0.03 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 38.66 1w2g h TYR 165 CO -0.00 0.90 0.32 0.93 -0.00 0.00 0.00 178.16 180.31 1w2g h GLU 166 N -0.66 0.52 0.00 4.88 5.08 -1.88 -1.66 114.58 120.86 1w2g h GLU 166 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1w2g h GLU 166 Cb 0.94 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1w2g h GLU 166 CO 0.03 0.34 0.00 0.00 -1.00 0.00 0.00 179.01 178.38 1w2g h ARG 167 N 0.53 0.00 -5.26 2.33 3.08 -1.40 -3.41 114.38 110.25 1w2g h ARG 167 Ca 0.36 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.76 1w2g h ARG 167 Cb 0.44 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.33 1w2g h ARG 167 CO -0.31 0.00 0.52 0.34 -1.07 0.00 0.00 179.97 179.45 1w2g s ASP 168 N -4.86 6.25 0.14 7.04 -1.08 -0.62 -4.91 116.67 118.62 1w2g s ASP 168 Ca 0.05 -1.23 -0.14 0.00 -0.52 0.00 0.00 52.55 50.71 1w2g s ASP 168 Cb 0.09 -2.40 0.01 0.00 -1.46 0.00 0.00 42.92 39.16 1w2g s ASP 168 CO 0.50 -1.33 1.63 0.00 0.52 0.00 0.00 175.17 176.48 1w2g h ALA 169 N 9.39 0.59 -0.55 3.66 0.00 -1.83 -1.92 119.26 128.62 1w2g h ALA 169 Ca -0.22 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.44 1w2g h ALA 169 Cb 1.07 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1w2g h ALA 169 CO 1.16 0.30 0.20 1.05 0.00 0.00 0.00 179.25 181.96 1w2g h GLU 170 N 0.60 0.80 -0.03 0.00 9.09 -1.96 -1.18 114.58 121.90 1w2g h GLU 170 Ca 0.14 -0.13 -0.00 0.00 0.05 0.00 0.00 59.36 59.42 1w2g h GLU 170 Cb 0.36 -0.14 -0.00 0.00 -1.65 0.00 0.00 28.75 27.32 1w2g h GLU 170 CO 0.01 0.67 0.01 1.25 0.05 0.00 0.00 179.01 180.99 1w2g h LEU 171 N 0.79 0.04 -0.72 3.06 5.85 -1.87 -0.98 115.31 121.48 1w2g h LEU 171 Ca 0.19 -0.24 0.08 0.00 0.84 0.00 0.00 57.88 58.74 1w2g h LEU 171 Cb 0.18 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 1w2g h LEU 171 CO -0.01 0.27 0.39 1.56 -0.34 0.00 0.00 178.44 180.31 1w2g h GLN 172 N -0.19 0.66 0.20 1.25 1.08 -1.01 0.15 115.11 117.26 1w2g h GLN 172 Ca 0.01 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1w2g h GLN 172 Cb 0.25 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 1w2g h GLN 172 CO 0.00 0.44 -0.09 0.37 -0.95 0.00 0.00 178.83 178.60 1w2g h GLN 173 N 0.68 -0.26 -0.30 1.46 4.15 -1.05 -1.39 115.11 118.41 1w2g h GLN 173 Ca 0.34 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.78 1w2g h GLN 173 Cb 0.29 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.02 1w2g h GLN 173 CO -0.23 -0.12 0.18 0.00 -1.93 0.00 0.00 178.83 176.74 1w2g h ARG 174 N -0.33 0.40 -0.53 1.69 3.08 -0.66 -1.37 114.38 116.66 1w2g h ARG 174 Ca -0.03 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1w2g h ARG 174 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1w2g h ARG 174 CO 0.04 0.28 -0.13 1.15 -1.07 0.00 0.00 179.97 180.24 1w2g h THR 175 N 0.41 1.27 -0.83 2.04 2.02 -0.39 -1.05 112.91 116.37 1w2g h THR 175 Ca 0.11 -1.30 -0.04 0.00 0.77 0.00 0.00 66.41 65.96 1w2g h THR 175 Cb -0.02 0.99 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 1w2g h THR 175 CO -0.02 0.46 0.37 1.23 0.37 0.00 0.00 175.52 177.93 1w2g h GLY 176 N 0.92 1.31 1.11 2.16 0.00 -0.27 -0.68 103.07 107.62 1w2g h GLY 176 Ca 0.14 -0.68 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 1w2g h GLY 176 CO 0.05 0.64 0.16 0.00 0.00 0.00 0.00 176.54 177.40 1w2g h ALA 177 N 1.20 0.98 -0.41 3.60 0.00 -0.92 -1.40 119.26 122.31 1w2g h ALA 177 Ca 0.28 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1w2g h ALA 177 Cb 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1w2g h ALA 177 CO -0.03 0.66 -0.29 0.28 0.00 0.00 0.00 179.25 179.87 1w2g h VAL 178 N 1.05 1.27 -0.40 0.00 2.07 -0.85 -2.62 116.25 116.77 1w2g h VAL 178 Ca 0.22 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1w2g h VAL 178 Cb 0.37 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1w2g h VAL 178 CO 0.00 0.49 0.18 1.88 0.02 0.00 0.00 177.57 180.14 1w2g h TYR 179 N 0.74 0.32 -0.77 1.57 0.99 -0.86 0.28 116.97 119.24 1w2g h TYR 179 Ca 0.08 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.87 1w2g h TYR 179 Cb 0.87 -0.09 -0.05 0.00 1.00 0.00 0.00 36.73 38.47 1w2g h TYR 179 CO 0.06 0.15 0.51 0.00 -0.00 0.00 0.00 178.16 178.88 1w2g h ALA 180 N 1.23 1.58 0.05 3.88 0.00 -1.15 -1.12 119.26 123.74 1w2g h ALA 180 Ca 0.18 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 1w2g h ALA 180 Cb 0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1w2g h ALA 180 CO -0.15 0.33 -1.04 0.93 0.00 0.00 0.00 179.25 179.32 1w2g h GLU 181 N 0.90 0.28 -0.70 0.00 3.07 -0.93 -2.26 114.58 114.94 1w2g h GLU 181 Ca 0.32 -0.37 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1w2g h GLU 181 Cb 0.12 0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1w2g h GLU 181 CO -0.10 1.10 0.44 -0.07 -1.40 0.00 0.00 179.01 178.98 1w2g h LEU 182 N 0.13 0.83 -0.08 1.33 3.38 0.07 0.12 115.31 121.09 1w2g h LEU 182 Ca -0.09 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 1w2g h LEU 182 Cb 1.71 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 42.25 1w2g h LEU 182 CO 0.17 0.63 0.02 0.00 0.09 0.00 0.00 178.44 179.35 1w2g h ALA 183 N 1.23 0.11 -0.17 1.53 0.00 -1.21 -0.67 119.26 120.08 1w2g h ALA 183 Ca 0.25 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1w2g h ALA 183 Cb -0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1w2g h ALA 183 CO -0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 179.25 178.93 1w2g h ALA 184 N 0.81 1.69 -0.10 0.00 0.00 -1.15 -2.21 119.26 118.29 1w2g h ALA 184 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1w2g h ALA 184 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1w2g h ALA 184 CO 0.00 0.24 0.00 1.04 0.00 0.00 0.00 179.25 180.53 1w2g n GLN 185 N -4.39 1.82 -3.58 0.00 6.02 0.01 -4.95 117.38 112.31 1w2g n GLN 185 Ca -0.00 -1.21 -0.23 0.00 -0.01 0.00 0.00 57.00 55.54 1w2g n GLN 185 Cb 0.17 -1.45 0.08 0.00 1.02 0.00 0.00 30.24 30.06 1w2g n GLN 185 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1w2g n GLY 186 N 1.20 -0.52 3.66 1.08 0.00 -0.76 -4.89 105.19 104.96 1w2g n GLY 186 Ca 0.17 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 46.02 1w2g n GLY 186 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1w2g s TRP 187 N -3.32 1.42 0.00 1.61 -0.00 -0.33 -2.11 118.94 116.21 1w2g s TRP 187 Ca 0.57 -0.36 0.00 0.00 -0.00 0.00 0.00 56.10 56.30 1w2g s TRP 187 Cb -0.25 -4.21 0.00 0.00 -0.00 0.00 0.00 33.47 29.01 1w2g s TRP 187 CO 0.72 -5.35 0.00 0.41 -0.00 0.00 0.00 176.95 172.73 1w2g n GLY 188 N 4.48 0.23 0.00 5.86 0.00 -1.26 -4.81 105.19 109.69 1w2g n GLY 188 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1w2g n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1w2g n GLY 189 N -0.83 0.93 3.76 -0.02 0.00 -0.90 -4.60 105.19 103.54 1w2g n GLY 189 Ca 0.00 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1w2g n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1w2g s ARG 190 N -1.82 4.60 0.21 1.61 0.52 -1.26 -4.47 118.95 118.35 1w2g s ARG 190 Ca 0.00 1.86 0.09 0.00 -0.52 0.00 0.00 55.73 57.16 1w2g s ARG 190 Cb 0.00 -3.18 -0.05 0.00 0.52 0.00 0.00 34.95 32.25 1w2g s ARG 190 CO 0.00 0.15 -0.17 -1.58 0.02 0.00 0.00 175.30 173.72 1w2g s TRP 191 N -1.11 1.88 -0.01 -0.53 0.52 -1.26 -1.09 118.94 117.33 1w2g s TRP 191 Ca 0.45 -0.49 0.01 0.00 0.02 0.00 0.00 56.10 56.10 1w2g s TRP 191 Cb -0.33 -0.87 0.01 0.00 -1.15 0.00 0.00 33.47 31.12 1w2g s TRP 191 CO 0.42 0.44 -0.03 -0.51 0.02 0.00 0.00 176.95 177.29 1w2g s LEU 192 N -3.19 1.75 -0.14 2.99 1.43 -0.70 -4.92 118.68 115.90 1w2g s LEU 192 Ca 0.22 -0.06 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 1w2g s LEU 192 Cb -0.03 -0.22 -0.03 0.00 0.03 0.00 0.00 46.19 45.94 1w2g s LEU 192 CO 0.09 0.00 -0.03 -0.69 0.23 0.00 0.00 176.35 175.95 1w2g s VAL 193 N 0.25 3.97 0.09 -1.59 1.01 -1.26 -0.29 120.40 122.59 1w2g s VAL 193 Ca -0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1w2g s VAL 193 Cb -0.05 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 1w2g s VAL 193 CO -0.00 0.51 0.02 0.68 0.00 0.00 0.00 175.10 176.30 1w2g s VAL 194 N 0.16 0.16 0.44 2.92 -7.23 -0.26 -4.95 120.40 111.63 1w2g s VAL 194 Ca -0.01 -1.86 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1w2g s VAL 194 Cb -0.14 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 1w2g s VAL 194 CO 0.03 -0.71 0.41 -0.83 -0.31 0.00 0.00 175.10 173.69 1w2g s GLY 195 N -2.99 2.15 0.33 2.32 0.00 -1.26 -2.81 107.32 105.05 1w2g s GLY 195 Ca 0.16 -1.82 0.25 0.00 0.00 0.00 0.00 44.72 43.31 1w2g s GLY 195 CO -0.04 -1.73 1.74 0.00 0.00 0.00 0.00 173.10 173.08 1w2g h ALA 196 N 0.94 1.00 -0.02 3.20 0.00 -1.90 -2.04 119.26 120.44 1w2g h ALA 196 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1w2g h ALA 196 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1w2g h ALA 196 CO 0.56 0.00 -0.09 -0.40 0.00 0.00 0.00 179.25 179.33 1w2g n ASP 197 N -2.35 2.38 -4.53 0.00 5.75 -1.26 -4.99 116.55 111.55 1w2g n ASP 197 Ca 0.00 -1.74 -0.43 0.00 -0.01 0.00 0.00 54.79 52.60 1w2g n ASP 197 Cb 0.14 0.08 -0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1w2g n ASP 197 CO 0.00 0.00 0.00 0.55 -0.11 0.00 0.00 177.20 177.64 1w2g n VAL 198 N 0.75 2.02 -2.69 2.12 3.14 -0.77 -4.88 118.33 118.01 1w2g n VAL 198 Ca 0.14 -0.50 -0.43 0.00 -2.96 0.00 0.00 64.34 60.60 1w2g n VAL 198 Cb 0.51 -0.78 -0.03 0.00 -1.06 0.00 0.00 33.84 32.49 1w2g n VAL 198 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1w2g s ASP 199 N -0.76 6.90 0.21 6.55 2.15 -1.26 -4.93 116.67 125.52 1w2g s ASP 199 Ca 0.61 1.00 -0.11 0.00 0.43 0.00 0.00 52.55 54.49 1w2g s ASP 199 Cb -0.67 -2.52 0.28 0.00 -0.30 0.00 0.00 42.92 39.71 1w2g s ASP 199 CO 0.58 -0.82 1.68 -0.65 -0.17 0.00 0.00 175.17 175.80 1w2g h PRO 200 N 8.05 0.16 -0.31 4.34 0.11 -1.89 0.15 132.00 142.61 1w2g h PRO 200 Ca -0.21 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.92 1w2g h PRO 200 Cb 1.07 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1w2g h PRO 200 CO 1.00 0.11 0.13 0.78 -0.21 0.00 0.00 178.00 179.82 1w2g h GLY 201 N 0.17 0.40 1.01 -0.55 0.00 -1.91 0.21 103.07 102.40 1w2g h GLY 201 Ca 0.31 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 1w2g h GLY 201 CO -0.46 0.06 -0.18 3.21 0.00 0.00 0.00 176.54 179.17 1w2g h ARG 202 N 0.29 0.82 0.07 4.80 -0.00 -1.85 -1.77 114.38 116.74 1w2g h ARG 202 Ca 0.13 -0.35 0.00 0.00 -0.50 0.00 0.00 59.98 59.26 1w2g h ARG 202 Cb 0.07 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.01 1w2g h ARG 202 CO -0.11 0.98 -0.08 1.25 0.00 0.00 0.00 179.97 182.01 1w2g h LEU 203 N 0.62 -0.21 -0.91 3.04 5.85 -0.69 0.72 115.31 123.73 1w2g h LEU 203 Ca 0.09 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.92 1w2g h LEU 203 Cb 0.74 0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 1w2g h LEU 203 CO 0.06 -0.12 0.56 0.00 -0.34 0.00 0.00 178.44 178.59 1w2g h ALA 204 N 0.75 1.29 -0.66 1.25 0.00 -0.55 -0.18 119.26 121.16 1w2g h ALA 204 Ca 0.01 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1w2g h ALA 204 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1w2g h ALA 204 CO -0.03 0.25 0.12 0.00 0.00 0.00 0.00 179.25 179.58 1w2g h ALA 205 N 1.46 0.88 -0.71 0.00 0.00 -0.81 0.12 119.26 120.20 1w2g h ALA 205 Ca 0.42 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1w2g h ALA 205 Cb 0.29 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1w2g h ALA 205 CO -0.21 0.63 0.22 1.15 0.00 0.00 0.00 179.25 181.03 1w2g h THR 206 N 1.01 1.26 0.08 0.00 2.02 0.44 -3.17 112.91 114.55 1w2g h THR 206 Ca 0.20 -0.90 -0.25 0.00 0.77 0.00 0.00 66.41 66.23 1w2g h THR 206 Cb 0.42 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1w2g h THR 206 CO 0.01 0.35 -1.12 -0.07 0.37 0.00 0.00 175.52 175.06 1w2g h LEU 207 N 1.05 0.42 -0.64 2.58 3.38 -0.84 -3.36 115.31 117.89 1w2g h LEU 207 Ca 0.23 -0.40 0.13 0.00 0.09 0.00 0.00 57.88 57.92 1w2g h LEU 207 Cb 0.31 -0.13 -0.12 0.00 0.09 0.00 0.00 40.66 40.81 1w2g h LEU 207 CO -0.01 1.27 -0.16 0.00 0.09 0.00 0.00 178.44 179.63 1w2g n ALA 208 N -2.52 0.15 0.00 1.53 0.00 0.41 -5.08 120.51 115.00 1w2g n ALA 208 Ca -0.07 0.70 0.00 0.00 0.00 0.00 0.00 53.44 54.07 1w2g n ALA 208 Cb 0.95 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1w2g n ALA 208 CO 0.00 0.00 0.00 -3.68 0.00 0.00 0.00 177.50 173.82