#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wni s ASP 13 N 0.00 -0.55 0.09 0.55 2.15 -1.26 -5.06 116.67 112.59 2wni s ASP 13 Ca 0.00 1.13 0.09 0.00 0.43 0.00 0.00 52.55 54.20 2wni s ASP 13 Cb 0.00 1.38 -0.04 0.00 -0.30 0.00 0.00 42.92 43.96 2wni s ASP 13 CO 0.00 -0.22 -0.23 0.26 -0.17 0.00 0.00 175.17 174.80 2wni s TRP 14 N 2.26 2.40 -0.11 -5.34 0.52 -1.26 0.97 118.94 118.38 2wni s TRP 14 Ca -0.05 -0.34 0.00 0.00 0.02 0.00 0.00 56.10 55.73 2wni s TRP 14 Cb -0.10 -1.34 0.02 0.00 -1.15 0.00 0.00 33.47 30.90 2wni s TRP 14 CO -0.15 0.28 -0.10 -1.14 0.02 0.00 0.00 176.95 175.87 2wni s GLN 15 N -1.77 1.71 -0.07 4.98 2.00 0.03 -4.89 119.66 121.66 2wni s GLN 15 Ca 0.14 -0.35 -0.29 0.00 -2.00 0.00 0.00 55.36 52.87 2wni s GLN 15 Cb -0.10 -1.64 -0.02 0.00 0.80 0.00 0.00 33.01 32.05 2wni s GLN 15 CO 0.06 -0.19 0.96 -1.17 -0.50 0.00 0.00 175.29 174.45 2wni s LEU 16 N 1.42 4.29 -0.26 3.68 2.96 -1.26 -0.44 118.68 129.06 2wni s LEU 16 Ca 0.00 1.52 -0.02 0.00 -0.22 0.00 0.00 54.13 55.42 2wni s LEU 16 Cb -0.13 -3.50 -0.16 0.00 0.50 0.00 0.00 46.19 42.90 2wni s LEU 16 CO -0.06 -0.36 -0.26 -0.62 -1.32 0.00 0.00 176.35 173.74 2wni n GLU 17 N 4.57 0.63 -3.70 1.98 1.02 0.24 -4.61 120.64 120.77 2wni n GLU 17 Ca 0.07 0.17 -0.13 0.00 -0.02 0.00 0.00 57.16 57.25 2wni n GLU 17 Cb 0.50 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.32 2wni n GLU 17 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wni s LYS 18 N -2.51 0.56 -0.10 3.49 2.47 -1.12 -4.80 119.74 117.72 2wni s LYS 18 Ca -0.36 0.73 0.01 0.00 -1.56 0.00 0.00 55.97 54.79 2wni s LYS 18 Cb 0.10 0.23 -0.02 0.00 -1.46 0.00 0.00 37.83 36.68 2wni s LYS 18 CO 0.57 -0.09 -0.12 0.08 0.16 0.00 0.00 175.35 175.95 2wni s VAL 19 N 0.49 3.16 -0.08 4.02 1.01 -0.51 -0.52 120.40 127.97 2wni s VAL 19 Ca -0.02 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.35 2wni s VAL 19 Cb -0.04 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 34.04 2wni s VAL 19 CO -0.02 0.55 -0.19 -0.69 0.00 0.00 0.00 175.10 174.74 2wni s VAL 20 N -0.10 1.69 -0.02 2.92 1.01 0.12 -0.44 120.40 125.59 2wni s VAL 20 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.16 2wni s VAL 20 Cb -0.14 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.78 2wni s VAL 20 CO 0.03 0.48 -0.02 -0.70 0.00 0.00 0.00 175.10 174.89 2wni s GLU 21 N 0.41 0.35 -0.19 2.72 2.12 0.01 0.41 118.70 124.53 2wni s GLU 21 Ca -0.16 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.13 2wni s GLU 21 Cb -0.17 -0.41 0.03 0.00 0.26 0.00 0.00 34.13 33.85 2wni s GLU 21 CO 0.06 -0.02 -0.14 -1.17 -0.54 0.00 0.00 175.26 173.45 2wni s LEU 22 N 0.42 2.25 -0.01 2.70 2.96 0.49 -0.11 118.68 127.39 2wni s LEU 22 Ca -0.04 -0.79 0.02 0.00 -0.22 0.00 0.00 54.13 53.10 2wni s LEU 22 Cb -0.07 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 2wni s LEU 22 CO -0.01 -0.09 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.35 2wni s SER 23 N 1.35 4.87 0.48 3.68 0.15 0.35 0.35 113.70 124.92 2wni s SER 23 Ca 0.01 -0.06 -0.14 0.00 0.70 0.00 0.00 55.95 56.46 2wni s SER 23 Cb -0.15 -1.22 -0.07 0.00 -1.71 0.00 0.00 66.02 62.87 2wni s SER 23 CO -0.10 0.30 0.91 -0.60 1.20 0.00 0.00 173.24 174.95 2wni s ARG 24 N -1.38 3.86 0.86 5.44 3.52 0.42 -0.86 118.95 130.82 2wni s ARG 24 Ca 0.17 0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 56.40 2wni s ARG 24 Cb -0.11 -2.23 0.03 0.00 -1.56 0.00 0.00 34.95 31.08 2wni s ARG 24 CO 0.08 -0.20 0.59 0.00 -0.81 0.00 0.00 175.30 174.96 2wni n ALA 25 N -1.55 -1.82 -1.23 6.12 0.00 -0.92 -3.29 120.51 117.81 2wni n ALA 25 Ca 0.05 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2wni n ALA 25 Cb 0.54 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.09 2wni n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wni n GLY 26 N 1.34 -0.71 3.71 0.00 0.00 -1.26 0.31 105.19 108.58 2wni n GLY 26 Ca 0.09 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2wni n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wni s ILE 27 N -0.63 3.08 0.36 -0.61 1.01 -1.26 -4.68 121.20 118.47 2wni s ILE 27 Ca 0.00 0.73 0.09 0.00 0.00 0.00 0.00 60.65 61.46 2wni s ILE 27 Cb 0.00 -3.47 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 2wni s ILE 27 CO 0.00 0.04 0.01 0.00 0.00 0.00 0.00 174.94 174.99 2wni s ARG 28 N 1.44 2.01 1.20 2.79 1.70 -1.26 -1.49 118.95 125.35 2wni s ARG 28 Ca 0.68 -1.88 -0.19 0.00 -0.47 0.00 0.00 55.73 53.87 2wni s ARG 28 Cb -0.39 -1.83 0.29 0.00 -0.57 0.00 0.00 34.95 32.45 2wni s ARG 28 CO 0.30 0.07 1.11 -2.14 -1.08 0.00 0.00 175.30 173.56 2wni s PRO 29 N -3.71 -1.23 0.73 3.89 0.02 -1.25 -4.81 135.00 128.64 2wni s PRO 29 Ca 0.35 -0.07 -0.16 0.00 0.02 0.00 0.00 61.00 61.14 2wni s PRO 29 Cb 0.03 -1.60 -0.02 0.00 0.02 0.00 0.00 34.50 32.94 2wni s PRO 29 CO 0.19 -3.72 0.67 -0.35 -0.33 0.00 0.00 177.00 173.46 2wni n PRO 30 N -4.76 0.32 -1.31 5.54 -0.04 -1.26 -3.82 135.00 129.67 2wni n PRO 30 Ca 0.13 0.16 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 2wni n PRO 30 Cb 0.59 -1.96 0.15 0.00 -0.04 0.00 0.00 33.50 32.25 2wni n PRO 30 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wni s THR 31 N -1.92 2.20 0.27 0.52 -4.23 -1.26 -2.32 115.64 108.91 2wni s THR 31 Ca 0.67 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 61.22 2wni s THR 31 Cb -0.34 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.07 2wni s THR 31 CO 0.56 -0.09 1.89 0.00 -0.54 0.00 0.00 174.62 176.45 2wni h ALA 32 N -1.68 1.28 -0.30 3.99 0.00 -1.94 -1.16 119.26 119.45 2wni h ALA 32 Ca -0.52 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 2wni h ALA 32 Cb 1.32 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2wni h ALA 32 CO 0.59 0.59 0.11 0.78 0.00 0.00 0.00 179.25 181.31 2wni h GLY 33 N 1.12 0.49 0.53 0.00 0.00 -2.00 -2.40 103.07 100.81 2wni h GLY 33 Ca 0.27 -0.27 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2wni h GLY 33 CO -0.04 0.26 0.20 3.43 0.00 0.00 0.00 176.54 180.38 2wni h ASN 34 N 0.33 0.22 -0.27 0.19 -0.26 -1.72 -1.48 115.58 112.58 2wni h ASN 34 Ca 0.10 0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.82 2wni h ASN 34 Cb 0.21 0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2wni h ASN 34 CO -0.01 0.15 -0.15 -0.09 -1.06 0.00 0.00 177.43 176.27 2wni h ARG 35 N 0.39 0.58 -0.46 0.81 2.43 -0.95 0.40 114.38 117.57 2wni h ARG 35 Ca 0.25 -0.26 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 2wni h ARG 35 Cb 0.26 -0.01 -0.07 0.00 -0.42 0.00 0.00 29.97 29.73 2wni h ARG 35 CO -0.24 0.83 0.07 1.49 -1.51 0.00 0.00 179.97 180.61 2wni h GLU 36 N 0.31 0.19 -0.33 0.20 4.57 -1.22 0.13 114.58 118.43 2wni h GLU 36 Ca 0.06 -0.01 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 2wni h GLU 36 Cb 0.67 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.21 2wni h GLU 36 CO 0.04 0.13 -0.45 0.00 -1.18 0.00 0.00 179.01 177.55 2wni h ALA 37 N 1.37 0.57 -0.00 2.92 0.00 -0.42 -2.04 119.26 121.65 2wni h ALA 37 Ca 0.23 -0.48 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 2wni h ALA 37 Cb 0.31 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wni h ALA 37 CO -0.32 0.68 -0.80 -0.84 0.00 0.00 0.00 179.25 177.97 2wni h ILE 38 N 0.70 1.55 -0.31 0.00 3.07 0.18 -1.25 117.51 121.45 2wni h ILE 38 Ca 0.04 -2.67 -0.09 0.00 1.55 0.00 0.00 64.86 63.70 2wni h ILE 38 Cb 1.04 2.45 -0.01 0.00 -0.27 0.00 0.00 36.82 40.03 2wni h ILE 38 CO 0.10 0.77 -0.14 -0.33 -1.05 0.00 0.00 178.15 177.50 2wni h GLU 39 N 0.02 0.64 0.13 0.16 5.08 -0.98 -2.22 114.58 117.41 2wni h GLU 39 Ca -0.01 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2wni h GLU 39 Cb 1.40 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.64 2wni h GLU 39 CO 0.11 0.86 -0.06 0.00 -1.00 0.00 0.00 179.01 178.91 2wni h ALA 40 N 0.76 -0.18 -0.20 3.43 0.00 -1.41 0.62 119.26 122.28 2wni h ALA 40 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.97 2wni h ALA 40 Cb 0.66 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2wni h ALA 40 CO 0.04 -0.56 0.24 0.00 0.00 0.00 0.00 179.25 178.97 2wni h ALA 41 N 0.61 1.80 -0.00 0.00 0.00 -1.18 -2.46 119.26 118.03 2wni h ALA 41 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wni h ALA 41 Cb 0.20 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2wni h ALA 41 CO 0.03 -0.35 -0.01 0.25 0.00 0.00 0.00 179.25 179.17 2wni n THR 42 N -3.70 0.00 -4.13 0.00 -2.24 -0.84 -3.69 114.28 99.68 2wni n THR 42 Ca 0.02 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.98 2wni n THR 42 Cb 0.37 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.61 2wni n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wni n GLY 43 N 0.27 -0.38 3.24 3.38 0.00 0.21 -4.74 105.19 107.17 2wni n GLY 43 Ca 0.01 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.04 2wni n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wni s ARG 44 N -6.82 0.65 0.49 1.61 1.70 -1.07 -5.05 118.95 110.46 2wni s ARG 44 Ca 0.52 -0.13 -0.21 0.00 -0.47 0.00 0.00 55.73 55.43 2wni s ARG 44 Cb -0.28 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.32 2wni s ARG 44 CO 0.91 -0.17 1.15 -1.25 -1.08 0.00 0.00 175.30 174.86 2wni s PRO 45 N -1.20 3.59 0.28 3.89 0.04 -1.26 -4.44 135.00 135.89 2wni s PRO 45 Ca -0.12 1.71 0.05 0.00 0.04 0.00 0.00 61.00 62.67 2wni s PRO 45 Cb -0.05 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 2wni s PRO 45 CO 0.04 -0.68 0.42 -1.58 0.04 0.00 0.00 177.00 175.24 2wni s TRP 46 N -1.64 3.38 0.18 0.56 0.52 -1.26 -5.06 118.94 115.61 2wni s TRP 46 Ca 0.67 -0.01 -0.33 0.00 0.02 0.00 0.00 56.10 56.46 2wni s TRP 46 Cb -0.27 -1.72 -0.15 0.00 -1.15 0.00 0.00 33.47 30.18 2wni s TRP 46 CO 0.31 0.28 1.31 2.41 0.02 0.00 0.00 176.95 181.29 2wni n THR 47 N -1.53 0.66 -3.01 2.01 -1.04 -1.26 -4.98 114.28 105.13 2wni n THR 47 Ca -0.06 -0.16 -0.40 0.00 -2.04 0.00 0.00 64.05 61.38 2wni n THR 47 Cb 0.57 -1.10 -0.05 0.00 -1.82 0.00 0.00 70.33 67.93 2wni n THR 47 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wni s GLU 48 N -0.09 4.35 0.90 -2.82 0.41 -1.26 -5.00 118.70 115.18 2wni s GLU 48 Ca 0.74 0.88 -0.11 0.00 -0.41 0.00 0.00 54.97 56.07 2wni s GLU 48 Cb -0.79 -3.51 0.20 0.00 -1.78 0.00 0.00 34.13 28.25 2wni s GLU 48 CO 0.49 -0.12 1.22 0.91 -0.49 0.00 0.00 175.26 177.27 2wni n TRP 49 N 4.48 -3.61 0.27 1.61 7.02 -1.26 -4.92 117.44 121.01 2wni n TRP 49 Ca 0.01 -1.40 0.15 0.00 -1.02 0.00 0.00 57.50 55.24 2wni n TRP 49 Cb 0.50 -0.93 0.65 0.00 -2.42 0.00 0.00 31.31 29.11 2wni n TRP 49 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wni h THR 50 N -1.36 0.17 -3.32 -0.99 1.03 -2.04 -3.44 112.91 102.96 2wni h THR 50 Ca -0.40 -0.65 -0.67 0.00 -0.01 0.00 0.00 66.41 64.68 2wni h THR 50 Cb 1.21 1.55 -0.14 0.00 -1.07 0.00 0.00 68.15 69.70 2wni h THR 50 CO 0.33 0.06 -0.63 -0.89 -0.01 0.00 0.00 175.52 174.38 2wni s THR 51 N -3.71 4.28 0.54 0.00 2.01 -1.26 -5.06 115.64 112.44 2wni s THR 51 Ca 0.01 -0.42 -0.22 0.00 0.31 0.00 0.00 61.69 61.36 2wni s THR 51 Cb 0.10 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 2wni s THR 51 CO 0.57 0.48 1.37 -1.00 -0.69 0.00 0.00 174.62 175.34 2wni s HIS 52 N -1.01 2.28 0.20 4.92 0.09 -1.26 -4.81 115.29 115.71 2wni s HIS 52 Ca 0.17 1.36 -0.31 0.00 -0.00 0.00 0.00 55.06 56.28 2wni s HIS 52 Cb -0.11 -3.82 -0.16 0.00 -0.00 0.00 0.00 32.58 28.48 2wni s HIS 52 CO 0.07 -2.94 0.96 -0.25 -0.00 0.00 0.00 174.74 172.58 2wni n ASP 53 N -0.96 0.63 0.00 1.40 8.00 -1.26 -1.86 116.55 122.50 2wni n ASP 53 Ca 0.10 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2wni n ASP 53 Cb 0.45 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.39 2wni n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wni n GLY 54 N 1.74 2.76 3.96 0.44 0.00 -0.98 -4.69 105.19 108.41 2wni n GLY 54 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 2wni n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wni s GLU 55 N -0.31 2.72 -0.05 1.61 2.02 -0.77 -4.30 118.70 119.63 2wni s GLU 55 Ca 0.00 -0.56 -0.26 0.00 0.02 0.00 0.00 54.97 54.18 2wni s GLU 55 Cb 0.00 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.74 2wni s GLU 55 CO 0.00 -0.61 0.80 -1.17 0.02 0.00 0.00 175.26 174.29 2wni s LEU 56 N -4.76 4.33 0.46 1.80 2.96 -1.26 -3.81 118.68 118.40 2wni s LEU 56 Ca 0.54 1.34 -0.10 0.00 -0.22 0.00 0.00 54.13 55.69 2wni s LEU 56 Cb -0.10 -3.25 -0.06 0.00 0.50 0.00 0.00 46.19 43.28 2wni s LEU 56 CO 0.39 -0.17 0.83 0.42 -1.32 0.00 0.00 176.35 176.50 2wni s THR 57 N 0.92 4.78 0.24 3.68 -4.23 -0.55 -4.84 115.64 115.63 2wni s THR 57 Ca 0.42 0.62 -0.05 0.00 -1.18 0.00 0.00 61.69 61.50 2wni s THR 57 Cb -0.19 -3.78 0.23 0.00 1.34 0.00 0.00 72.50 70.10 2wni s THR 57 CO 0.21 -0.70 1.69 1.23 -0.54 0.00 0.00 174.62 176.52 2wni h GLY 58 N 0.77 1.04 0.79 3.99 0.00 -1.95 0.70 103.07 108.41 2wni h GLY 58 Ca -0.47 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 46.85 2wni h GLY 58 CO 0.63 -0.18 0.45 0.84 0.00 0.00 0.00 176.54 178.27 2wni h HIS 59 N 0.30 0.83 -0.91 5.60 -0.00 -1.92 0.17 115.15 119.22 2wni h HIS 59 Ca 0.41 0.02 0.05 0.00 -0.00 0.00 0.00 60.37 60.86 2wni h HIS 59 Cb 0.69 -0.27 -0.06 0.00 -0.00 0.00 0.00 27.41 27.77 2wni h HIS 59 CO -0.24 0.44 0.58 0.78 -0.00 0.00 0.00 177.93 179.49 2wni h GLY 60 N 0.84 1.36 0.81 5.26 0.00 -1.19 0.88 103.07 111.03 2wni h GLY 60 Ca 0.31 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2wni h GLY 60 CO -0.14 0.33 -0.00 -1.82 0.00 0.00 0.00 176.54 174.90 2wni h TYR 61 N 1.09 -0.00 -0.93 5.60 5.03 0.01 0.15 116.97 127.91 2wni h TYR 61 Ca 0.38 -0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.76 2wni h TYR 61 Cb 0.10 0.00 -0.06 0.00 1.55 0.00 0.00 36.73 38.32 2wni h TYR 61 CO -0.02 0.19 0.60 0.00 -1.32 0.00 0.00 178.16 177.61 2wni h ALA 62 N 0.80 1.49 -0.32 1.82 0.00 -0.31 0.67 119.26 123.41 2wni h ALA 62 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2wni h ALA 62 Cb 0.19 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wni h ALA 62 CO 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 2wni h ALA 63 N 1.50 0.44 -0.46 0.00 0.00 -0.35 -1.80 119.26 118.58 2wni h ALA 63 Ca 0.40 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2wni h ALA 63 Cb 0.19 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wni h ALA 63 CO -0.15 0.21 -0.17 0.28 0.00 0.00 0.00 179.25 179.42 2wni h VAL 64 N 0.38 1.27 -0.18 0.00 2.07 -0.01 -2.06 116.25 117.72 2wni h VAL 64 Ca 0.09 -1.31 0.04 0.00 0.82 0.00 0.00 66.70 66.35 2wni h VAL 64 Cb 0.47 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2wni h VAL 64 CO 0.02 0.45 -0.10 0.58 0.02 0.00 0.00 177.57 178.53 2wni h VAL 65 N 0.79 0.68 -1.00 2.57 2.07 0.39 0.12 116.25 121.88 2wni h VAL 65 Ca 0.11 0.00 0.24 0.00 0.82 0.00 0.00 66.70 67.87 2wni h VAL 65 Cb 0.71 0.68 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 2wni h VAL 65 CO 0.05 0.00 0.64 0.78 0.02 0.00 0.00 177.57 179.06 2wni h ASN 66 N -0.10 0.53 0.09 0.57 2.35 -0.63 0.82 115.58 119.22 2wni h ASN 66 Ca 0.10 0.08 -0.29 0.00 -0.55 0.00 0.00 56.30 55.65 2wni h ASN 66 Cb 0.25 -0.01 0.03 0.00 0.05 0.00 0.00 38.32 38.64 2wni h ASN 66 CO -0.24 0.14 -1.18 0.50 -1.65 0.00 0.00 177.43 175.01 2wni h LYS 67 N 0.49 0.64 -0.52 0.81 3.64 -0.75 -2.90 116.57 117.99 2wni h LYS 67 Ca 0.57 -0.81 0.01 0.00 -1.27 0.00 0.00 60.65 59.15 2wni h LYS 67 Cb 1.29 0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 33.34 2wni h LYS 67 CO -0.31 1.36 0.34 0.78 -2.27 0.00 0.00 179.45 179.36 2wni h GLY 68 N 0.28 0.73 0.79 5.01 0.00 0.46 -0.15 103.07 110.19 2wni h GLY 68 Ca -0.17 -0.27 0.03 0.00 0.00 0.00 0.00 47.33 46.92 2wni h GLY 68 CO 0.23 0.26 0.21 -0.09 0.00 0.00 0.00 176.54 177.15 2wni h ARG 69 N 0.70 0.41 -0.29 4.80 2.43 -0.89 -0.28 114.38 121.26 2wni h ARG 69 Ca 0.19 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 2wni h ARG 69 Cb -0.08 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.38 2wni h ARG 69 CO -0.04 0.27 -0.24 1.49 -1.51 0.00 0.00 179.97 179.94 2wni h GLU 70 N 0.42 0.67 -0.66 0.20 4.57 -1.22 -2.54 114.58 116.02 2wni h GLU 70 Ca 0.18 -0.34 0.05 0.00 -1.18 0.00 0.00 59.36 58.07 2wni h GLU 70 Cb 0.09 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.63 2wni h GLU 70 CO -0.13 0.94 0.38 1.49 -1.18 0.00 0.00 179.01 180.52 2wni h GLU 71 N 0.42 0.69 -0.54 1.92 4.81 -0.81 0.61 114.58 121.68 2wni h GLU 71 Ca 0.05 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2wni h GLU 71 Cb 0.80 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 2wni h GLU 71 CO 0.06 0.46 0.00 0.78 -0.73 0.00 0.00 179.01 179.58 2wni h GLY 72 N 0.71 0.98 1.27 1.92 0.00 -1.03 0.25 103.07 107.17 2wni h GLY 72 Ca 0.29 -0.68 -0.19 0.00 0.00 0.00 0.00 47.33 46.75 2wni h GLY 72 CO -0.16 0.63 -0.60 1.46 0.00 0.00 0.00 176.54 177.87 2wni h GLN 73 N 0.84 0.76 -0.20 4.80 4.20 -0.76 -1.67 115.11 123.09 2wni h GLN 73 Ca 0.16 -0.51 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2wni h GLN 73 Cb 0.50 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 2wni h GLN 73 CO 0.02 1.13 0.09 1.25 -0.67 0.00 0.00 178.83 180.66 2wni h HIS 74 N 0.57 0.28 0.00 2.96 2.76 0.79 -1.23 115.15 121.28 2wni h HIS 74 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2wni h HIS 74 Cb 1.19 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 30.06 2wni h HIS 74 CO 0.07 0.30 0.00 1.88 -1.30 0.00 0.00 177.93 178.87 2wni h TYR 75 N 0.19 0.00 0.02 5.26 0.05 -0.44 -1.47 116.97 120.59 2wni h TYR 75 Ca 0.07 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.61 2wni h TYR 75 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2wni h TYR 75 CO -0.02 0.00 -0.99 0.00 -1.05 0.00 0.00 178.16 176.09 2wni h ARG 76 N 0.00 0.40 -0.05 4.88 3.08 -0.91 -1.87 114.38 119.91 2wni h ARG 76 Ca 0.00 -0.46 -0.14 0.00 0.07 0.00 0.00 59.98 59.45 2wni h ARG 76 Cb 0.64 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 2wni h ARG 76 CO 0.00 1.13 -0.61 0.37 -1.07 0.00 0.00 179.97 179.79 2wni h GLN 77 N 0.21 0.17 -0.00 0.04 -0.00 -0.65 -1.25 115.11 113.63 2wni h GLN 77 Ca -0.09 -0.12 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2wni h GLN 77 Cb 1.64 0.02 0.00 0.00 0.00 0.00 0.00 27.48 29.14 2wni h GLN 77 CO 0.17 0.72 -0.00 1.28 0.00 0.00 0.00 178.83 181.00 2wni n LEU 78 N -3.85 0.19 0.00 -2.39 4.77 -0.61 -4.89 117.00 110.23 2wni n LEU 78 Ca -0.02 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.92 2wni n LEU 78 Cb 0.62 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.69 2wni n LEU 78 CO 0.44 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 2wni n GLY 79 N 1.05 0.58 0.32 -0.72 0.00 -0.47 -4.53 105.19 101.41 2wni n GLY 79 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.17 2wni n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wni h LEU 80 N 0.00 1.07 -9.14 0.99 5.85 -1.61 -3.43 115.31 109.03 2wni h LEU 80 Ca 0.00 -0.26 -0.68 0.00 0.84 0.00 0.00 57.88 57.78 2wni h LEU 80 Cb 0.11 -0.28 -0.18 0.00 0.37 0.00 0.00 40.66 40.67 2wni h LEU 80 CO 0.00 1.06 -0.71 -0.76 -0.34 0.00 0.00 178.44 177.69 2wni s LEU 81 N -9.44 3.10 0.94 2.25 1.43 -0.83 -4.91 118.68 111.22 2wni s LEU 81 Ca -0.12 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.72 2wni s LEU 81 Cb 0.14 -1.75 0.15 0.00 0.03 0.00 0.00 46.19 44.76 2wni s LEU 81 CO 0.85 0.30 1.12 -1.10 0.23 0.00 0.00 176.35 177.75 2wni s GLN 82 N -1.25 0.93 0.95 1.70 -1.52 -1.26 -4.48 119.66 114.73 2wni s GLN 82 Ca 0.16 0.37 -0.11 0.00 -1.95 0.00 0.00 55.36 53.83 2wni s GLN 82 Cb -0.11 -1.81 0.16 0.00 -0.22 0.00 0.00 33.01 31.03 2wni s GLN 82 CO 0.06 -2.36 1.12 0.00 -0.25 0.00 0.00 175.29 173.86 2wni s ALA 83 N -3.17 1.20 0.00 6.09 0.00 -1.26 -4.86 121.76 119.76 2wni s ALA 83 Ca 0.64 0.43 0.00 0.00 0.00 0.00 0.00 51.96 53.03 2wni s ALA 83 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 23.12 19.56 2wni s ALA 83 CO 0.55 -2.86 0.00 0.41 0.00 0.00 0.00 175.76 173.85 2wni n GLY 84 N 0.16 0.75 3.76 0.00 0.00 -1.26 -4.84 105.19 103.76 2wni n GLY 84 Ca 0.10 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 2wni n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wni s PRO 86 N -1.22 3.11 0.13 0.00 0.04 -1.26 -5.03 135.00 130.76 2wni s PRO 86 Ca 0.49 1.30 0.02 0.00 0.04 0.00 0.00 61.00 62.85 2wni s PRO 86 Cb -0.36 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.20 2wni s PRO 86 CO 0.45 -0.99 0.13 0.25 0.04 0.00 0.00 177.00 176.88 2wni n THR 87 N -2.15 0.00 0.51 1.26 -2.24 -1.26 -4.95 114.28 105.44 2wni n THR 87 Ca 0.09 -0.46 0.13 0.00 -2.27 0.00 0.00 64.05 61.54 2wni n THR 87 Cb 0.52 -0.61 0.45 0.00 -2.10 0.00 0.00 70.33 68.59 2wni n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wni n ALA 88 N -2.79 1.98 1.08 6.98 0.00 -1.26 -2.32 120.51 124.18 2wni n ALA 88 Ca -0.04 0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2wni n ALA 88 Cb 0.14 -1.43 0.39 0.00 0.00 0.00 0.00 19.45 18.55 2wni n ALA 88 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2wni n GLU 89 N -2.28 0.19 -0.03 0.00 0.00 -1.26 -4.38 120.64 112.88 2wni n GLU 89 Ca 0.04 -0.09 -0.11 0.00 0.00 0.00 0.00 57.16 56.99 2wni n GLU 89 Cb 0.33 -1.50 -0.10 0.00 0.00 0.00 0.00 31.44 30.18 2wni n GLU 89 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2wni h SER 90 N 0.22 -0.04 -4.87 4.31 0.02 -1.78 0.74 113.55 112.16 2wni h SER 90 Ca 0.00 -0.64 -0.16 0.00 -0.84 0.00 0.00 61.79 60.15 2wni h SER 90 Cb 0.48 0.01 -0.21 0.00 0.14 0.00 0.00 62.40 62.82 2wni h SER 90 CO 0.00 0.71 -0.58 -0.51 -1.14 0.00 0.00 176.83 175.31 2wni s ILE 91 N -2.70 0.09 -0.07 3.27 2.07 -1.25 -0.62 121.20 121.98 2wni s ILE 91 Ca -0.15 -0.71 0.01 0.00 -1.41 0.00 0.00 60.65 58.39 2wni s ILE 91 Cb -0.01 -0.34 0.02 0.00 0.13 0.00 0.00 42.46 42.26 2wni s ILE 91 CO 0.55 -0.39 -0.07 -0.47 -1.91 0.00 0.00 174.94 172.65 2wni s TYR 92 N -1.28 1.13 -0.18 3.50 5.04 -0.63 -4.78 117.35 120.14 2wni s TYR 92 Ca -0.14 -0.44 -0.05 0.00 -2.44 0.00 0.00 57.07 54.01 2wni s TYR 92 Cb -0.08 -0.96 -0.03 0.00 0.35 0.00 0.00 41.96 41.25 2wni s TYR 92 CO 0.00 -0.33 -0.01 0.08 -1.34 0.00 0.00 175.55 173.95 2wni s VAL 93 N 1.26 3.93 -0.15 3.14 1.01 -1.26 -1.25 120.40 127.08 2wni s VAL 93 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2wni s VAL 93 Cb -0.14 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.50 2wni s VAL 93 CO -0.02 0.45 -0.17 -0.60 0.00 0.00 0.00 175.10 174.76 2wni s ARG 94 N 0.76 2.61 -0.06 2.72 3.52 -0.30 -0.96 118.95 127.24 2wni s ARG 94 Ca -0.00 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 54.93 2wni s ARG 94 Cb -0.14 -2.27 -0.03 0.00 -1.56 0.00 0.00 34.95 30.95 2wni s ARG 94 CO 0.02 -0.17 -0.10 0.00 -0.81 0.00 0.00 175.30 174.23 2wni s ALA 95 N 1.26 2.82 0.25 6.12 0.00 0.07 -1.69 121.76 130.60 2wni s ALA 95 Ca 0.02 -0.93 -0.27 0.00 0.00 0.00 0.00 51.96 50.78 2wni s ALA 95 Cb -0.14 -1.11 -0.16 0.00 0.00 0.00 0.00 23.12 21.71 2wni s ALA 95 CO -0.09 0.55 0.48 0.45 0.00 0.00 0.00 175.76 177.15 2wni n SER 96 N 2.33 -1.34 0.00 0.00 2.88 -0.20 -4.30 113.62 112.98 2wni n SER 96 Ca -0.18 1.07 0.11 0.00 -1.33 0.00 0.00 58.87 58.54 2wni n SER 96 Cb 0.53 -0.97 0.60 0.00 -0.75 0.00 0.00 64.21 63.62 2wni n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wni n PRO 97 N 1.02 0.53 -1.17 -1.46 -0.04 -1.26 -3.80 135.00 128.81 2wni n PRO 97 Ca 0.16 0.04 -0.33 0.00 -0.04 0.00 0.00 63.50 63.33 2wni n PRO 97 Cb 0.29 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.36 2wni n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wni s LEU 98 N -2.23 3.13 0.17 1.53 1.02 -1.26 -4.76 118.68 116.29 2wni s LEU 98 Ca 0.28 2.25 -0.14 0.00 0.02 0.00 0.00 54.13 56.54 2wni s LEU 98 Cb 0.15 -4.58 0.12 0.00 0.02 0.00 0.00 46.19 41.90 2wni s LEU 98 CO 0.28 -2.52 1.75 -0.61 0.02 0.00 0.00 176.35 175.27 2wni h GLN 99 N -0.90 0.33 0.00 1.70 -0.00 -1.89 -0.08 115.11 114.27 2wni h GLN 99 Ca -0.46 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.13 2wni h GLN 99 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 27.48 28.68 2wni h GLN 99 CO 0.47 0.22 -0.21 0.07 0.00 0.00 0.00 178.83 179.38 2wni h ARG 100 N 0.34 0.00 0.00 1.69 0.11 -1.91 0.13 114.38 114.74 2wni h ARG 100 Ca 0.21 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.12 2wni h ARG 100 Cb 0.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 2wni h ARG 100 CO -0.20 0.21 -1.44 0.25 0.10 0.00 0.00 179.97 178.90 2wni n THR 101 N -3.94 1.14 -0.14 0.08 -2.24 -0.48 -1.57 114.28 107.13 2wni n THR 101 Ca -0.02 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 60.99 2wni n THR 101 Cb 0.30 -0.70 -0.01 0.00 -2.10 0.00 0.00 70.33 67.82 2wni n THR 101 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 2wni h ARG 102 N 0.00 0.61 -0.12 -0.78 3.08 -0.07 -1.40 114.38 115.70 2wni h ARG 102 Ca -0.16 -0.11 -0.16 0.00 0.07 0.00 0.00 59.98 59.61 2wni h ARG 102 Cb 1.56 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 2wni h ARG 102 CO 0.04 0.58 -0.61 0.00 -1.07 0.00 0.00 179.97 178.91 2wni h ALA 103 N 1.00 0.73 -0.28 0.04 0.00 -0.77 0.32 119.26 120.30 2wni h ALA 103 Ca 0.13 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 2wni h ALA 103 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wni h ALA 103 CO -0.01 0.72 0.13 1.15 0.00 0.00 0.00 179.25 181.24 2wni h THR 104 N 0.31 1.16 -0.66 0.00 2.02 -1.28 0.17 112.91 114.63 2wni h THR 104 Ca -0.01 -0.45 0.10 0.00 0.77 0.00 0.00 66.41 66.82 2wni h THR 104 Cb 1.15 0.94 -0.07 0.00 -1.74 0.00 0.00 68.15 68.42 2wni h THR 104 CO 0.11 0.16 0.28 0.00 0.37 0.00 0.00 175.52 176.43 2wni h ALA 105 N 0.99 0.88 -0.41 6.16 0.00 -0.63 0.21 119.26 126.47 2wni h ALA 105 Ca 0.10 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 2wni h ALA 105 Cb 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2wni h ALA 105 CO -0.01 -0.14 0.03 1.96 0.00 0.00 0.00 179.25 181.08 2wni h GLN 106 N 0.48 0.64 -0.46 0.00 4.20 -0.34 -2.56 115.11 117.06 2wni h GLN 106 Ca 0.33 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2wni h GLN 106 Cb 0.40 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 2wni h GLN 106 CO -0.30 0.64 0.17 0.00 -0.67 0.00 0.00 178.83 178.66 2wni h ALA 107 N 1.42 0.60 -0.25 3.87 0.00 0.46 0.51 119.26 125.88 2wni h ALA 107 Ca 0.13 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.91 2wni h ALA 107 Cb 0.34 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2wni h ALA 107 CO 0.01 0.23 0.02 -0.07 0.00 0.00 0.00 179.25 179.45 2wni h LEU 108 N 0.61 -0.05 -0.76 0.00 3.38 -0.24 -1.15 115.31 117.10 2wni h LEU 108 Ca 0.15 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2wni h LEU 108 Cb 0.23 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wni h LEU 108 CO -0.01 0.01 -0.19 -0.37 0.09 0.00 0.00 178.44 177.97 2wni h VAL 109 N 0.11 0.41 -0.53 1.22 -1.51 -1.38 0.23 116.25 114.79 2wni h VAL 109 Ca 0.12 -1.19 -0.04 0.00 -1.23 0.00 0.00 66.70 64.35 2wni h VAL 109 Cb 0.14 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.16 2wni h VAL 109 CO -0.18 0.19 0.16 -0.78 -1.23 0.00 0.00 177.57 175.73 2wni h ASP 110 N 0.00 0.78 -0.16 4.19 1.82 -0.51 0.12 116.42 122.65 2wni h ASP 110 Ca -0.00 -0.21 -0.18 0.00 -0.39 0.00 0.00 57.03 56.25 2wni h ASP 110 Cb 0.87 -0.20 0.01 0.00 0.68 0.00 0.00 39.33 40.68 2wni h ASP 110 CO 0.03 0.78 -0.61 1.23 -1.61 0.00 0.00 179.24 179.06 2wni h GLY 111 N 0.73 0.76 1.92 -0.78 0.00 -0.57 -3.30 103.07 101.82 2wni h GLY 111 Ca 0.17 -1.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.41 2wni h GLY 111 CO -0.00 0.92 -0.36 0.00 0.00 0.00 0.00 176.54 177.09 2wni h ALA 112 N 0.54 0.79 -2.18 3.60 0.00 -0.35 -3.22 119.26 118.44 2wni h ALA 112 Ca -0.03 -0.27 -0.58 0.00 0.00 0.00 0.00 54.91 54.03 2wni h ALA 112 Cb 1.24 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.60 2wni h ALA 112 CO 0.13 0.37 -0.98 1.19 0.00 0.00 0.00 179.25 179.95 2wni n PHE 113 N -3.14 0.15 -1.66 0.00 3.72 0.39 -4.60 117.46 112.32 2wni n PHE 113 Ca 0.02 -3.60 -0.47 0.00 -0.05 0.00 0.00 57.45 53.35 2wni n PHE 113 Cb 0.65 -0.22 -0.04 0.00 -0.94 0.00 0.00 39.48 38.92 2wni n PHE 113 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wni n PRO 114 N 1.75 2.02 -0.79 -1.08 -0.02 -1.24 -1.45 135.00 134.19 2wni n PRO 114 Ca 0.24 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 2wni n PRO 114 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2wni n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wni n GLY 115 N 3.41 1.20 0.20 -1.23 0.00 -1.26 -4.86 105.19 102.66 2wni n GLY 115 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 2wni n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wni n GLY 117 N 1.00 -0.51 3.69 0.00 0.00 -1.26 -4.83 105.19 103.27 2wni n GLY 117 Ca 0.19 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 2wni n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wni s VAL 118 N -3.29 4.36 0.45 1.61 1.01 -1.26 -5.00 120.40 118.28 2wni s VAL 118 Ca 0.64 1.67 -0.17 0.00 0.00 0.00 0.00 61.98 64.12 2wni s VAL 118 Cb -0.31 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2wni s VAL 118 CO 0.79 -0.00 0.92 0.00 0.00 0.00 0.00 175.10 176.81 2wni s ALA 119 N 2.17 3.12 0.30 5.51 0.00 -1.26 -4.91 121.76 126.69 2wni s ALA 119 Ca 0.54 0.19 0.10 0.00 0.00 0.00 0.00 51.96 52.80 2wni s ALA 119 Cb -0.23 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.79 2wni s ALA 119 CO 0.21 -0.03 -0.07 0.96 0.00 0.00 0.00 175.76 176.83 2wni s ILE 120 N -2.39 2.77 0.11 0.00 -5.25 -1.26 -4.76 121.20 110.42 2wni s ILE 120 Ca 0.58 -2.11 0.10 0.00 -0.99 0.00 0.00 60.65 58.24 2wni s ILE 120 Cb -0.10 -2.64 -0.04 0.00 2.95 0.00 0.00 42.46 42.63 2wni s ILE 120 CO 0.24 -0.31 -0.26 -1.00 -1.79 0.00 0.00 174.94 171.82 2wni s HIS 121 N -2.47 2.21 0.16 1.37 3.76 -0.13 -5.01 115.29 115.18 2wni s HIS 121 Ca 0.32 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.69 2wni s HIS 121 Cb -0.03 -1.22 0.02 0.00 1.11 0.00 0.00 32.58 32.46 2wni s HIS 121 CO 0.18 0.28 0.44 1.52 -0.85 0.00 0.00 174.74 176.31 2wni s TYR 122 N -1.04 -0.07 0.59 1.40 1.13 -1.26 -0.75 117.35 117.35 2wni s TYR 122 Ca 0.12 -0.27 -0.18 0.00 -1.41 0.00 0.00 57.07 55.34 2wni s TYR 122 Cb -0.10 0.27 -0.03 0.00 -1.10 0.00 0.00 41.96 41.00 2wni s TYR 122 CO 0.05 -0.80 1.12 0.00 -2.51 0.00 0.00 175.55 173.41 2wni s ALA 123 N -3.86 2.61 -0.17 9.51 0.00 -1.26 -4.92 121.76 123.67 2wni s ALA 123 Ca 0.08 0.70 0.28 0.00 0.00 0.00 0.00 51.96 53.02 2wni s ALA 123 Cb 0.01 -3.34 0.86 0.00 0.00 0.00 0.00 23.12 20.65 2wni s ALA 123 CO -0.06 -0.97 1.80 -0.91 0.00 0.00 0.00 175.76 175.62 2wni h ASN 124 N 0.71 0.00 -0.37 0.00 2.35 -1.98 -3.46 115.58 112.83 2wni h ASN 124 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2wni h ASN 124 Cb 1.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.62 2wni h ASN 124 CO 0.56 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.95 2wni n GLY 125 N 0.56 -0.00 0.57 2.83 0.00 -1.26 -4.98 105.19 102.91 2wni n GLY 125 Ca 0.02 -1.70 0.14 0.00 0.00 0.00 0.00 46.02 44.48 2wni n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wni n ASP 126 N 0.00 1.80 -3.79 1.61 8.00 -1.26 -4.92 116.55 117.99 2wni n ASP 126 Ca 0.00 -1.58 -0.20 0.00 0.71 0.00 0.00 54.79 53.72 2wni n ASP 126 Cb 0.00 0.01 -0.17 0.00 -0.02 0.00 0.00 41.12 40.94 2wni n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wni s ALA 127 N -2.02 0.46 -0.15 2.24 0.00 -1.26 -4.83 121.76 116.20 2wni s ALA 127 Ca 0.35 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.35 2wni s ALA 127 Cb 0.21 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 2wni s ALA 127 CO 0.34 -0.24 -0.09 0.34 0.00 0.00 0.00 175.76 176.11 2wni s ASP 128 N 1.44 4.23 0.37 0.00 -1.08 -1.26 -4.90 116.67 115.48 2wni s ASP 128 Ca -0.04 -0.30 0.27 0.00 -0.52 0.00 0.00 52.55 51.97 2wni s ASP 128 Cb -0.13 -1.67 1.29 0.00 -1.46 0.00 0.00 42.92 40.95 2wni s ASP 128 CO -0.03 0.13 1.82 1.55 0.52 0.00 0.00 175.17 179.16 2wni h PRO 129 N 6.95 0.00 0.00 4.34 0.13 -1.99 -0.39 132.00 141.05 2wni h PRO 129 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2wni h PRO 129 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wni h PRO 129 CO 0.58 0.00 0.00 -0.07 -0.23 0.00 0.00 178.00 178.28 2wni h LEU 130 N 0.00 0.00 0.00 1.56 3.38 -1.94 -3.41 115.31 114.90 2wni h LEU 130 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wni h LEU 130 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wni h LEU 130 CO 0.00 0.00 -0.17 0.49 0.09 0.00 0.00 178.44 178.85 2wni n PHE 131 N -2.63 -0.90 -1.39 1.13 3.72 -0.27 -4.45 117.46 112.67 2wni n PHE 131 Ca 0.03 0.16 -0.31 0.00 -0.05 0.00 0.00 57.45 57.28 2wni n PHE 131 Cb 0.36 0.31 -0.06 0.00 -0.94 0.00 0.00 39.48 39.15 2wni n PHE 131 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wni n GLN 132 N -3.19 3.29 0.29 -1.08 3.00 -0.49 -4.69 117.38 114.50 2wni n GLN 132 Ca 0.00 -2.17 0.16 0.00 -0.01 0.00 0.00 57.00 54.98 2wni n GLN 132 Cb 0.09 -2.48 0.90 0.00 0.00 0.00 0.00 30.24 28.75 2wni n GLN 132 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2wni h THR 133 N 2.53 0.39 0.00 5.09 1.35 -1.78 0.03 112.91 120.51 2wni h THR 133 Ca 0.60 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 66.23 2wni h THR 133 Cb 0.66 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2wni h THR 133 CO 1.21 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.62 2wni n ASP 134 N -3.55 0.00 -1.31 5.36 5.75 -1.26 -2.55 116.55 119.00 2wni n ASP 134 Ca -0.02 -0.92 0.12 0.00 -0.01 0.00 0.00 54.79 53.95 2wni n ASP 134 Cb 0.15 0.00 0.31 0.00 -1.03 0.00 0.00 41.12 40.55 2wni n ASP 134 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wni n LYS 135 N -0.87 2.65 -4.33 0.11 4.76 -0.00 -4.86 118.16 115.62 2wni n LYS 135 Ca 0.13 -2.55 -0.20 0.00 -2.87 0.00 0.00 58.31 52.81 2wni n LYS 135 Cb 0.06 -1.55 -0.16 0.00 -1.84 0.00 0.00 35.03 31.54 2wni n LYS 135 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wni s PHE 136 N -1.10 0.92 0.14 2.13 0.40 -1.06 -5.06 117.98 114.36 2wni s PHE 136 Ca 0.47 -0.26 -0.24 0.00 -0.60 0.00 0.00 56.93 56.30 2wni s PHE 136 Cb 0.25 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 43.08 2wni s PHE 136 CO 0.33 -0.15 1.62 0.00 0.70 0.00 0.00 175.22 177.72 2wni h ALA 137 N 6.72 -0.25 0.00 5.36 0.00 -1.90 -1.42 119.26 127.77 2wni h ALA 137 Ca -0.35 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wni h ALA 137 Cb 1.17 0.56 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2wni h ALA 137 CO 0.48 -0.73 0.00 0.00 0.00 0.00 0.00 179.25 179.00 2wni h ALA 138 N 0.62 1.00 0.00 0.00 0.00 -1.92 -2.72 119.26 116.24 2wni h ALA 138 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wni h ALA 138 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wni h ALA 138 CO -0.38 0.00 -0.02 0.25 0.00 0.00 0.00 179.25 179.10 2wni n THR 139 N -2.74 1.77 -3.43 0.00 -2.24 -0.58 -4.34 114.28 102.71 2wni n THR 139 Ca -0.02 -2.12 -0.32 0.00 -2.27 0.00 0.00 64.05 59.32 2wni n THR 139 Cb 0.06 -0.18 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 2wni n THR 139 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wni s GLN 140 N -2.68 3.76 0.44 -0.78 -0.21 -0.94 -4.01 119.66 115.23 2wni s GLN 140 Ca 0.29 0.20 -0.15 0.00 0.02 0.00 0.00 55.36 55.73 2wni s GLN 140 Cb 0.26 -2.67 -0.08 0.00 1.00 0.00 0.00 33.01 31.52 2wni s GLN 140 CO 0.03 0.32 0.87 0.95 -2.12 0.00 0.00 175.29 175.34 2wni s THR 141 N -1.83 4.63 -0.26 -0.19 -4.23 -1.26 -4.89 115.64 107.62 2wni s THR 141 Ca 0.46 0.99 -0.23 0.00 -1.18 0.00 0.00 61.69 61.73 2wni s THR 141 Cb -0.11 -3.69 -0.01 0.00 1.34 0.00 0.00 72.50 70.03 2wni s THR 141 CO 0.23 -0.51 0.78 -0.62 -0.54 0.00 0.00 174.62 173.95 2wni s ASP 142 N -2.89 6.74 0.20 3.99 2.15 -1.26 -4.98 116.67 120.62 2wni s ASP 142 Ca 0.56 0.88 -0.22 0.00 0.43 0.00 0.00 52.55 54.19 2wni s ASP 142 Cb -0.10 -2.41 0.12 0.00 -0.30 0.00 0.00 42.92 40.23 2wni s ASP 142 CO 0.27 -0.51 1.55 -0.65 -0.17 0.00 0.00 175.17 175.66 2wni h PRO 143 N 7.83 -0.03 -0.24 4.34 0.11 -1.93 0.13 132.00 142.20 2wni h PRO 143 Ca -0.24 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.91 2wni h PRO 143 Cb 1.10 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 2wni h PRO 143 CO 0.85 -0.02 0.03 0.00 -0.21 0.00 0.00 178.00 178.66 2wni h ALA 144 N 1.02 0.24 -0.53 -0.75 0.00 -1.96 -1.80 119.26 115.48 2wni h ALA 144 Ca 0.27 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 2wni h ALA 144 Cb 0.54 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2wni h ALA 144 CO -0.93 -0.39 0.13 0.00 0.00 0.00 0.00 179.25 178.06 2wni h ARG 145 N 0.12 0.81 0.55 0.00 2.47 -1.64 -1.59 114.38 115.10 2wni h ARG 145 Ca 0.11 -0.16 -0.03 0.00 -1.26 0.00 0.00 59.98 58.64 2wni h ARG 145 Cb 0.12 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.32 2wni h ARG 145 CO -0.16 0.73 -0.27 0.37 0.56 0.00 0.00 179.97 181.20 2wni h GLN 146 N 0.78 -0.71 -0.88 0.04 5.75 -0.56 -0.57 115.11 118.96 2wni h GLN 146 Ca 0.17 0.05 0.24 0.00 -0.15 0.00 0.00 58.65 58.96 2wni h GLN 146 Cb 0.28 0.16 -0.14 0.00 1.07 0.00 0.00 27.48 28.85 2wni h GLN 146 CO -0.00 -0.41 0.25 1.25 -2.65 0.00 0.00 178.83 177.27 2wni h LEU 147 N -0.95 0.03 -0.19 -2.39 5.85 -1.19 -0.66 115.31 115.80 2wni h LEU 147 Ca -0.08 0.19 -0.22 0.00 0.84 0.00 0.00 57.88 58.62 2wni h LEU 147 Cb 0.63 0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2wni h LEU 147 CO 0.12 -0.15 -0.93 0.00 -0.34 0.00 0.00 178.44 177.15 2wni h ALA 148 N 1.78 0.39 -0.20 1.25 0.00 -1.08 -0.77 119.26 120.62 2wni h ALA 148 Ca 0.56 -0.71 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2wni h ALA 148 Cb 1.12 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.89 2wni h ALA 148 CO -0.65 0.83 -0.71 0.00 0.00 0.00 0.00 179.25 178.73 2wni h ALA 149 N 0.78 0.36 -0.08 0.00 0.00 0.08 -0.98 119.26 119.42 2wni h ALA 149 Ca -0.07 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2wni h ALA 149 Cb 1.56 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2wni h ALA 149 CO 0.16 0.68 0.01 0.28 0.00 0.00 0.00 179.25 180.38 2wni h VAL 150 N 0.59 1.23 -0.79 0.00 2.07 -1.17 -0.63 116.25 117.55 2wni h VAL 150 Ca -0.03 -0.70 0.15 0.00 0.82 0.00 0.00 66.70 66.94 2wni h VAL 150 Cb 1.33 1.55 -0.10 0.00 -1.52 0.00 0.00 31.29 32.55 2wni h VAL 150 CO 0.15 0.20 0.33 0.11 0.02 0.00 0.00 177.57 178.38 2wni h LYS 151 N -0.13 0.45 0.06 1.57 1.57 -1.10 0.36 116.57 119.36 2wni h LYS 151 Ca 0.02 -0.03 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2wni h LYS 151 Cb 0.30 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2wni h LYS 151 CO 0.00 0.30 -1.15 1.49 -0.57 0.00 0.00 179.45 179.52 2wni h GLU 152 N 0.46 0.13 -0.29 3.15 4.81 -0.92 -1.90 114.58 120.03 2wni h GLU 152 Ca 0.44 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 59.26 2wni h GLU 152 Cb 0.69 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.15 2wni h GLU 152 CO -0.42 1.09 -0.52 -0.22 -0.73 0.00 0.00 179.01 178.21 2wni h LYS 153 N 0.04 0.86 -0.84 1.92 3.64 -0.62 -3.24 116.57 118.32 2wni h LYS 153 Ca -0.08 -0.54 0.12 0.00 -1.27 0.00 0.00 60.65 58.88 2wni h LYS 153 Cb 1.88 0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 33.67 2wni h LYS 153 CO 0.16 1.18 0.46 0.00 -2.27 0.00 0.00 179.45 178.98 2wni h ALA 154 N 0.68 1.25 -0.99 5.00 0.00 -0.11 -3.47 119.26 121.61 2wni h ALA 154 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wni h ALA 154 Cb 1.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wni h ALA 154 CO 0.12 -0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.77 2wni n GLY 155 N -1.32 3.24 3.54 0.00 0.00 -0.73 -4.37 105.19 105.56 2wni n GLY 155 Ca 0.16 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2wni n GLY 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wni s ASP 156 N -4.00 6.41 0.11 1.61 2.15 -1.26 -4.89 116.67 116.80 2wni s ASP 156 Ca 0.00 -0.13 -0.10 0.00 0.43 0.00 0.00 52.55 52.76 2wni s ASP 156 Cb 0.00 -2.45 -0.14 0.00 -0.30 0.00 0.00 42.92 40.03 2wni s ASP 156 CO 0.00 -1.16 1.28 -0.07 -0.17 0.00 0.00 175.17 175.05 2wni h LEU 157 N 10.83 0.77 -0.98 -1.34 3.38 -1.86 -2.28 115.31 123.84 2wni h LEU 157 Ca -0.25 -0.58 0.27 0.00 0.09 0.00 0.00 57.88 57.41 2wni h LEU 157 Cb 1.07 -0.23 -0.13 0.00 0.09 0.00 0.00 40.66 41.46 2wni h LEU 157 CO 1.06 1.37 0.54 0.00 0.09 0.00 0.00 178.44 181.51 2wni h ALA 158 N 0.59 1.78 0.00 1.53 0.00 -1.90 -0.00 119.26 121.25 2wni h ALA 158 Ca -0.09 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2wni h ALA 158 Cb 1.55 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.44 2wni h ALA 158 CO 0.17 -0.40 -0.29 0.37 0.00 0.00 0.00 179.25 179.11 2wni h GLN 159 N 0.45 0.00 -0.13 0.00 4.15 -1.88 -0.46 115.11 117.24 2wni h GLN 159 Ca 0.66 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.92 2wni h GLN 159 Cb 1.36 0.00 0.01 0.00 0.21 0.00 0.00 27.48 29.06 2wni h GLN 159 CO -0.54 0.08 -0.54 0.00 -1.93 0.00 0.00 178.83 175.90 2wni h ARG 160 N 0.00 0.59 -0.13 1.69 3.08 -0.79 -2.58 114.38 116.24 2wni h ARG 160 Ca -0.01 -0.46 -0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wni h ARG 160 Cb 1.07 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 2wni h ARG 160 CO 0.01 1.08 0.06 -0.09 -1.07 0.00 0.00 179.97 179.97 2wni h ARG 161 N 0.22 0.18 -0.35 0.04 2.43 -0.96 -2.49 114.38 113.46 2wni h ARG 161 Ca -0.03 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2wni h ARG 161 Cb 1.17 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 30.62 2wni h ARG 161 CO 0.11 0.23 -0.10 0.37 -1.51 0.00 0.00 179.97 179.07 2wni h GLN 162 N 0.09 -0.02 -0.02 0.20 5.75 -1.15 -1.65 115.11 118.31 2wni h GLN 162 Ca 0.04 0.00 0.01 0.00 -0.15 0.00 0.00 58.65 58.55 2wni h GLN 162 Cb 0.11 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 2wni h GLN 162 CO -0.01 -0.01 0.03 0.00 -2.65 0.00 0.00 178.83 176.19 2wni h ALA 163 N 1.32 1.60 -0.62 3.38 0.00 -1.32 -0.99 119.26 122.63 2wni h ALA 163 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wni h ALA 163 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wni h ALA 163 CO -0.37 -0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.12 2wni n LEU 164 N -3.90 5.10 -0.16 0.00 4.77 -0.66 -4.60 117.00 117.55 2wni n LEU 164 Ca -0.02 -2.62 -0.10 0.00 -0.03 0.00 0.00 56.01 53.24 2wni n LEU 164 Cb 0.11 -0.62 0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2wni n LEU 164 CO 0.28 0.76 0.71 0.00 -1.33 0.00 0.00 177.39 177.80 2wni h ALA 165 N 4.05 0.75 -0.78 -1.18 0.00 -0.71 0.99 119.26 122.37 2wni h ALA 165 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.59 2wni h ALA 165 Cb 1.63 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 19.19 2wni h ALA 165 CO 0.32 0.67 0.47 -1.35 0.00 0.00 0.00 179.25 179.36 2wni h PRO 166 N 0.86 0.85 -0.26 0.00 0.11 -1.81 1.00 132.00 132.74 2wni h PRO 166 Ca 0.12 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.09 2wni h PRO 166 Cb 0.74 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2wni h PRO 166 CO 0.06 0.56 -0.18 1.15 -0.21 0.00 0.00 178.00 179.38 2wni h THR 167 N 0.88 1.30 -0.96 -1.15 2.02 -1.76 0.38 112.91 113.62 2wni h THR 167 Ca 0.34 -1.30 0.16 0.00 0.77 0.00 0.00 66.41 66.37 2wni h THR 167 Cb 0.14 1.57 -0.10 0.00 -1.74 0.00 0.00 68.15 68.03 2wni h THR 167 CO -0.16 0.41 0.58 0.40 0.37 0.00 0.00 175.52 177.11 2wni h ILE 168 N 0.32 0.79 -0.17 3.11 2.04 -0.58 -0.60 117.51 122.40 2wni h ILE 168 Ca 0.05 -0.28 -0.10 0.00 1.00 0.00 0.00 64.86 65.53 2wni h ILE 168 Cb 0.71 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.70 2wni h ILE 168 CO 0.05 0.15 -0.30 -0.61 0.00 0.00 0.00 178.15 177.44 2wni h GLN 169 N 0.81 0.50 -0.83 2.37 5.75 0.47 0.23 115.11 124.41 2wni h GLN 169 Ca 0.52 -0.31 0.17 0.00 -0.15 0.00 0.00 58.65 58.87 2wni h GLN 169 Cb 0.70 0.03 -0.06 0.00 1.07 0.00 0.00 27.48 29.22 2wni h GLN 169 CO -0.34 0.92 0.55 -0.07 -2.65 0.00 0.00 178.83 177.24 2wni h LEU 170 N 0.15 0.45 0.08 -2.39 3.38 0.36 -1.60 115.31 115.73 2wni h LEU 170 Ca 0.01 0.03 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2wni h LEU 170 Cb 0.88 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.60 2wni h LEU 170 CO 0.07 0.22 -0.70 0.25 0.09 0.00 0.00 178.44 178.36 2wni h LEU 171 N 0.47 0.48 -0.35 1.67 5.85 -0.40 -2.67 115.31 120.36 2wni h LEU 171 Ca 0.42 -0.88 0.06 0.00 0.84 0.00 0.00 57.88 58.32 2wni h LEU 171 Cb 0.93 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.75 2wni h LEU 171 CO -0.16 1.31 0.04 0.50 -0.34 0.00 0.00 178.44 179.79 2wni h LYS 172 N -0.29 0.14 -0.98 1.25 3.64 -0.06 -1.19 116.57 119.08 2wni h LYS 172 Ca -0.11 -0.01 0.23 0.00 -1.27 0.00 0.00 60.65 59.49 2wni h LYS 172 Cb 1.49 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 33.19 2wni h LYS 172 CO 0.13 0.09 0.63 1.96 -2.27 0.00 0.00 179.45 180.00 2wni h GLN 173 N 0.15 0.45 0.02 1.90 4.20 -1.37 0.17 115.11 120.63 2wni h GLN 173 Ca 0.17 -0.03 -0.25 0.00 0.06 0.00 0.00 58.65 58.60 2wni h GLN 173 Cb 0.21 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 27.90 2wni h GLN 173 CO -0.25 0.30 -1.02 0.00 -0.67 0.00 0.00 178.83 177.20 2wni h ALA 174 N 1.62 0.24 0.00 3.87 0.00 -0.89 -3.40 119.26 120.70 2wni h ALA 174 Ca 0.54 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2wni h ALA 174 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2wni h ALA 174 CO -0.26 0.77 -0.57 1.33 0.00 0.00 0.00 179.25 180.52 2wni n VAL 175 N -3.77 0.00 -2.95 0.00 0.24 -0.62 -4.72 118.33 106.51 2wni n VAL 175 Ca -0.09 -0.29 -0.40 0.00 -2.04 0.00 0.00 64.34 61.52 2wni n VAL 175 Cb 0.87 0.80 -0.05 0.00 -1.47 0.00 0.00 33.84 33.99 2wni n VAL 175 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wni s GLN 177 N 0.03 4.41 -0.37 0.00 -2.07 -1.26 -4.86 119.66 115.54 2wni s GLN 177 Ca 0.40 1.79 -0.34 0.00 -1.82 0.00 0.00 55.36 55.39 2wni s GLN 177 Cb -0.21 -3.37 -0.14 0.00 -1.09 0.00 0.00 33.01 28.20 2wni s GLN 177 CO 0.24 -0.30 1.28 0.00 -1.32 0.00 0.00 175.29 175.19 2wni n ALA 178 N 4.10 -0.67 0.00 2.60 0.00 -1.26 -1.81 120.51 123.47 2wni n ALA 178 Ca 0.09 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2wni n ALA 178 Cb 0.46 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2wni n ALA 178 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wni n ASP 179 N 3.65 0.00 -4.83 0.00 9.92 -1.26 -4.98 116.55 119.04 2wni n ASP 179 Ca 0.28 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.21 2wni n ASP 179 Cb -0.04 -1.00 -0.03 0.00 -0.64 0.00 0.00 41.12 39.42 2wni n ASP 179 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2wni s LYS 180 N 0.00 3.82 0.56 -1.24 2.47 -0.75 -5.05 119.74 119.55 2wni s LYS 180 Ca 0.00 1.03 -0.07 0.00 -1.56 0.00 0.00 55.97 55.37 2wni s LYS 180 Cb 0.00 -2.11 -0.02 0.00 -1.46 0.00 0.00 37.83 34.24 2wni s LYS 180 CO 0.00 -0.38 0.90 -1.25 0.16 0.00 0.00 175.35 174.78 2wni s PRO 181 N -4.01 3.32 -0.38 4.03 0.04 -1.26 -4.71 135.00 132.04 2wni s PRO 181 Ca 0.60 0.30 0.03 0.00 0.04 0.00 0.00 61.00 61.96 2wni s PRO 181 Cb -0.11 -2.25 0.16 0.00 0.04 0.00 0.00 34.50 32.34 2wni s PRO 181 CO 0.31 -0.50 0.34 0.00 0.04 0.00 0.00 177.00 177.19 2wni h PRO 183 N 6.65 0.27 -1.67 0.00 0.13 -1.88 -2.97 132.00 132.53 2wni h PRO 183 Ca 0.10 -0.06 0.53 0.00 -0.87 0.00 0.00 66.00 65.70 2wni h PRO 183 Cb 1.00 -0.04 -0.11 0.00 0.13 0.00 0.00 31.00 31.98 2wni h PRO 183 CO 0.24 0.38 1.14 0.97 -0.23 0.00 0.00 178.00 180.50 2wni h ILE 184 N 0.11 0.00 0.00 -3.56 6.09 -1.92 1.35 117.51 119.58 2wni h ILE 184 Ca 0.06 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.55 2wni h ILE 184 Cb 0.22 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.51 2wni h ILE 184 CO -0.00 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.57 2wni n PHE 185 N -4.37 0.00 -0.09 2.19 3.01 -1.12 -3.75 117.46 113.33 2wni n PHE 185 Ca 0.43 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.73 2wni n PHE 185 Cb 1.79 -0.11 -0.08 0.00 -0.01 0.00 0.00 39.48 41.07 2wni n PHE 185 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wni n ASP 186 N -1.11 2.22 -4.57 4.37 8.00 0.46 -4.99 116.55 120.93 2wni n ASP 186 Ca 0.20 0.01 -0.49 0.00 0.71 0.00 0.00 54.79 55.21 2wni n ASP 186 Cb 0.16 -0.37 -0.04 0.00 -0.02 0.00 0.00 41.12 40.84 2wni n ASP 186 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wni n THR 187 N -3.29 0.87 -2.23 -3.53 -2.24 -1.00 -5.02 114.28 97.84 2wni n THR 187 Ca -0.34 -0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 60.97 2wni n THR 187 Cb 0.82 -0.76 0.09 0.00 -2.10 0.00 0.00 70.33 68.38 2wni n THR 187 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2wni s PRO 188 N -0.37 1.96 -0.27 -0.78 0.05 -1.26 -4.82 135.00 129.52 2wni s PRO 188 Ca 0.74 -0.40 -0.13 0.00 0.05 0.00 0.00 61.00 61.26 2wni s PRO 188 Cb -0.88 -2.16 -0.04 0.00 0.05 0.00 0.00 34.50 31.47 2wni s PRO 188 CO 0.53 -1.39 0.31 -1.58 0.05 0.00 0.00 177.00 174.92 2wni s TRP 189 N -3.29 3.25 0.06 0.56 0.51 -1.26 -4.69 118.94 114.07 2wni s TRP 189 Ca 0.62 0.32 0.04 0.00 -2.12 0.00 0.00 56.10 54.97 2wni s TRP 189 Cb -0.09 -2.49 -0.03 0.00 -0.81 0.00 0.00 33.47 30.05 2wni s TRP 189 CO 0.45 -0.18 -0.13 1.03 -0.51 0.00 0.00 176.95 177.62 2wni s ARG 190 N 1.87 0.77 0.05 4.98 0.52 -1.26 -4.60 118.95 121.30 2wni s ARG 190 Ca 0.12 -0.88 -0.31 0.00 -0.52 0.00 0.00 55.73 54.15 2wni s ARG 190 Cb -0.16 -0.74 -0.05 0.00 0.52 0.00 0.00 34.95 34.52 2wni s ARG 190 CO 0.10 0.16 1.18 0.08 0.02 0.00 0.00 175.30 176.84 2wni s VAL 191 N -1.21 4.13 0.23 3.52 1.01 -1.26 -1.16 120.40 125.66 2wni s VAL 191 Ca -0.03 1.53 0.07 0.00 0.00 0.00 0.00 61.98 63.55 2wni s VAL 191 Cb -0.10 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.26 2wni s VAL 191 CO 0.02 0.12 -0.11 -1.61 0.00 0.00 0.00 175.10 173.52 2wni s GLU 192 N 1.07 1.40 -0.12 2.72 2.02 -0.41 -4.95 118.70 120.43 2wni s GLU 192 Ca 0.58 -1.66 -0.05 0.00 0.02 0.00 0.00 54.97 53.86 2wni s GLU 192 Cb -0.28 -1.10 0.06 0.00 0.10 0.00 0.00 34.13 32.91 2wni s GLU 192 CO 0.29 0.12 0.26 -1.14 0.02 0.00 0.00 175.26 174.81 2wni s GLN 193 N -3.69 0.18 0.77 1.61 0.74 -1.26 -1.45 119.66 116.57 2wni s GLN 193 Ca 0.25 0.66 -0.12 0.00 0.05 0.00 0.00 55.36 56.20 2wni s GLN 193 Cb 0.01 -0.07 0.06 0.00 1.10 0.00 0.00 33.01 34.11 2wni s GLN 193 CO 0.09 -0.23 1.12 -1.54 -0.55 0.00 0.00 175.29 174.18 2wni s SER 194 N 1.88 4.80 0.51 6.67 1.04 0.09 -4.88 113.70 123.82 2wni s SER 194 Ca -0.04 1.08 0.24 0.00 0.48 0.00 0.00 55.95 57.71 2wni s SER 194 Cb -0.11 -1.77 1.35 0.00 0.10 0.00 0.00 66.02 65.59 2wni s SER 194 CO -0.09 -1.75 1.97 0.50 0.98 0.00 0.00 173.24 174.86 2wni h LYS 195 N -0.94 0.07 -0.03 4.02 1.63 -2.01 0.48 116.57 119.79 2wni h LYS 195 Ca -0.46 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 2wni h LYS 195 Cb 1.28 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.90 2wni h LYS 195 CO 0.63 0.05 0.00 -1.13 -3.45 0.00 0.00 179.45 175.55 2wni n SER 196 N -4.38 0.57 0.00 4.20 3.41 -1.26 -4.88 113.62 111.28 2wni n SER 196 Ca 0.11 -1.31 0.00 0.00 -0.26 0.00 0.00 58.87 57.42 2wni n SER 196 Cb 0.63 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 2wni n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wni n GLY 197 N 1.01 0.76 3.73 5.00 0.00 0.17 -4.97 105.19 110.89 2wni n GLY 197 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2wni n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wni s LYS 198 N -0.37 4.28 -0.13 1.61 1.02 -1.26 -4.73 119.74 120.16 2wni s LYS 198 Ca 0.00 2.21 -0.05 0.00 0.02 0.00 0.00 55.97 58.15 2wni s LYS 198 Cb 0.00 -3.18 -0.04 0.00 -0.52 0.00 0.00 37.83 34.09 2wni s LYS 198 CO 0.00 -0.46 0.06 0.95 -0.92 0.00 0.00 175.35 174.98 2wni s THR 199 N 0.73 4.82 0.34 2.17 -4.23 -1.26 -0.73 115.64 117.48 2wni s THR 199 Ca 0.64 -0.04 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 2wni s THR 199 Cb -0.40 -3.10 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 2wni s THR 199 CO 0.35 0.55 0.09 0.42 -0.54 0.00 0.00 174.62 175.49 2wni s THR 200 N -0.44 0.88 -0.21 3.99 -4.23 -0.53 -4.95 115.64 110.15 2wni s THR 200 Ca 0.10 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2wni s THR 200 Cb -0.12 -2.61 -0.01 0.00 1.34 0.00 0.00 72.50 71.09 2wni s THR 200 CO 0.02 0.00 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.44 2wni s ILE 201 N -3.35 3.53 0.33 2.99 -1.09 -1.26 -1.28 121.20 121.06 2wni s ILE 201 Ca 0.32 -0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 58.01 2wni s ILE 201 Cb 0.06 -2.60 -0.11 0.00 -1.58 0.00 0.00 42.46 38.24 2wni s ILE 201 CO 0.15 0.43 1.51 -0.94 -1.23 0.00 0.00 174.94 174.85 2wni s SER 202 N 1.31 6.41 0.00 3.58 1.04 -0.31 -0.86 113.70 124.89 2wni s SER 202 Ca 0.04 2.95 0.00 0.00 0.48 0.00 0.00 55.95 59.42 2wni s SER 202 Cb -0.14 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2wni s SER 202 CO -0.01 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 173.97 2wni n GLY 203 N 1.28 1.87 0.12 7.32 0.00 -1.26 -4.00 105.19 110.52 2wni n GLY 203 Ca 0.04 -0.08 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 2wni n GLY 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wni h LEU 204 N 0.00 -0.05 0.19 0.99 5.85 -1.88 0.24 115.31 120.65 2wni h LEU 204 Ca 0.00 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2wni h LEU 204 Cb 0.00 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2wni h LEU 204 CO 0.00 0.01 -0.23 0.28 -0.34 0.00 0.00 178.44 178.16 2wni h SER 205 N 0.11 -0.64 0.28 1.25 0.02 -1.24 0.45 113.55 113.77 2wni h SER 205 Ca 0.12 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.08 2wni h SER 205 Cb 0.14 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 2wni h SER 205 CO -0.18 -0.33 -0.27 0.58 -1.14 0.00 0.00 176.83 175.48 2wni h VAL 206 N -0.47 1.18 -0.60 2.27 2.07 -1.74 0.67 116.25 119.63 2wni h VAL 206 Ca 0.01 -0.93 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 2wni h VAL 206 Cb 0.46 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2wni h VAL 206 CO -0.09 0.26 0.11 0.24 0.02 0.00 0.00 177.57 178.12 2wni h MET 207 N 0.00 0.99 -0.80 1.57 2.07 -0.03 -1.44 114.93 117.28 2wni h MET 207 Ca -0.00 -0.26 -0.00 0.00 -2.07 0.00 0.00 59.70 57.37 2wni h MET 207 Cb 0.48 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.05 2wni h MET 207 CO 0.04 0.92 0.49 0.00 1.07 0.00 0.00 176.91 179.43 2wni h ALA 208 N 1.02 1.37 -0.78 6.32 0.00 0.78 0.86 119.26 128.83 2wni h ALA 208 Ca 0.18 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2wni h ALA 208 Cb 0.40 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2wni h ALA 208 CO 0.01 0.56 0.52 -0.91 0.00 0.00 0.00 179.25 179.42 2wni h ASN 209 N 1.09 0.86 -0.05 0.00 -0.26 -0.55 -0.54 115.58 116.13 2wni h ASN 209 Ca 0.29 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 56.00 2wni h ASN 209 Cb -0.06 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 36.99 2wni h ASN 209 CO -0.06 0.60 -0.02 0.24 -1.06 0.00 0.00 177.43 177.14 2wni h MET 210 N 1.00 0.11 -0.40 0.81 2.86 -0.07 -1.57 114.93 117.67 2wni h MET 210 Ca 0.30 -0.04 0.05 0.00 -2.06 0.00 0.00 59.70 57.95 2wni h MET 210 Cb -0.03 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 2wni h MET 210 CO -0.08 0.47 0.14 0.28 1.06 0.00 0.00 176.91 178.78 2wni h VAL 211 N -0.26 0.87 -0.84 -2.22 2.07 -0.72 0.10 116.25 115.26 2wni h VAL 211 Ca 0.01 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.50 2wni h VAL 211 Cb 0.43 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 2wni h VAL 211 CO 0.01 0.05 0.51 -0.08 0.02 0.00 0.00 177.57 178.08 2wni h GLU 212 N 0.29 0.90 -0.40 1.57 4.57 -1.04 0.39 114.58 120.86 2wni h GLU 212 Ca 0.18 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.24 2wni h GLU 212 Cb 0.17 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 2wni h GLU 212 CO -0.19 0.60 -0.04 1.15 -1.18 0.00 0.00 179.01 179.35 2wni h THR 213 N 0.93 1.27 -0.74 0.32 2.02 -0.20 0.74 112.91 117.24 2wni h THR 213 Ca 0.37 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.47 2wni h THR 213 Cb 0.19 1.16 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 2wni h THR 213 CO -0.18 0.36 0.48 -0.07 0.37 0.00 0.00 175.52 176.48 2wni h LEU 214 N 0.56 0.86 -1.10 2.58 3.38 -0.26 0.62 115.31 121.94 2wni h LEU 214 Ca 0.11 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2wni h LEU 214 Cb 0.53 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2wni h LEU 214 CO 0.03 0.63 -0.24 -0.09 0.09 0.00 0.00 178.44 178.86 2wni h ARG 215 N 1.01 0.33 -0.06 1.13 1.12 0.54 -0.97 114.38 117.48 2wni h ARG 215 Ca 0.27 -0.11 -0.03 0.00 -1.11 0.00 0.00 59.98 59.00 2wni h ARG 215 Cb -0.10 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 29.84 2wni h ARG 215 CO -0.06 0.56 -0.08 -0.07 -3.11 0.00 0.00 179.97 177.21 2wni h LEU 216 N 0.30 0.17 -0.71 3.80 3.38 -0.13 -1.32 115.31 120.80 2wni h LEU 216 Ca 0.05 -0.52 0.10 0.00 0.09 0.00 0.00 57.88 57.59 2wni h LEU 216 Cb 0.60 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.22 2wni h LEU 216 CO 0.04 0.66 0.34 1.23 0.09 0.00 0.00 178.44 180.80 2wni h GLY 217 N -0.32 1.06 0.44 0.83 0.00 -0.59 0.78 103.07 105.27 2wni h GLY 217 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2wni h GLY 217 CO 0.02 0.03 -0.44 -0.25 0.00 0.00 0.00 176.54 175.90 2wni h TRP 218 N 0.56 -1.21 -0.24 5.60 2.91 -1.14 -2.29 115.95 120.13 2wni h TRP 218 Ca 0.36 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.39 2wni h TRP 218 Cb 0.41 0.49 -0.01 0.00 -0.51 0.00 0.00 29.16 29.54 2wni h TRP 218 CO -0.12 -0.57 0.12 0.77 -1.03 0.00 0.00 178.44 177.62 2wni h SER 219 N -0.80 0.29 0.56 2.65 0.02 0.22 0.39 113.55 116.88 2wni h SER 219 Ca -0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2wni h SER 219 Cb 0.75 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.21 2wni h SER 219 CO -0.14 0.25 0.00 1.21 -1.14 0.00 0.00 176.83 177.01 2wni n GLU 220 N -4.46 0.14 -2.85 3.45 4.07 0.25 -3.21 120.64 118.04 2wni n GLU 220 Ca 0.01 0.43 -0.22 0.00 -0.06 0.00 0.00 57.16 57.31 2wni n GLU 220 Cb 0.10 -1.80 0.02 0.00 -0.06 0.00 0.00 31.44 29.70 2wni n GLU 220 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2wni n ASN 221 N -2.08 -6.02 -4.68 4.31 5.15 0.13 -4.90 115.26 107.16 2wni n ASN 221 Ca 0.02 -0.21 -0.38 0.00 -0.60 0.00 0.00 54.58 53.41 2wni n ASN 221 Cb 0.18 -4.89 0.05 0.00 -0.53 0.00 0.00 39.78 34.60 2wni n ASN 221 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wni n LEU 222 N -3.71 4.77 -4.62 1.20 4.77 -0.88 -4.97 117.00 113.56 2wni n LEU 222 Ca -0.15 0.86 -0.42 0.00 -0.03 0.00 0.00 56.01 56.27 2wni n LEU 222 Cb 0.64 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.25 2wni n LEU 222 CO 0.42 -1.32 0.62 -2.65 -1.33 0.00 0.00 177.39 173.13 2wni n PRO 223 N -1.25 1.43 -0.35 3.23 -0.02 -1.26 -4.83 135.00 131.96 2wni n PRO 223 Ca 0.14 0.51 0.13 0.00 -2.02 0.00 0.00 63.50 62.26 2wni n PRO 223 Cb 0.47 -2.04 0.32 0.00 -0.02 0.00 0.00 33.50 32.23 2wni n PRO 223 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wni h LEU 224 N 1.72 0.76 -1.32 2.45 3.38 -1.93 0.11 115.31 120.48 2wni h LEU 224 Ca -0.44 0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2wni h LEU 224 Cb 1.33 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wni h LEU 224 CO 0.58 0.25 0.00 0.77 0.09 0.00 0.00 178.44 180.13 2wni h SER 225 N 0.74 0.00 -0.01 -0.43 4.64 -1.92 -2.05 113.55 114.52 2wni h SER 225 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2wni h SER 225 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2wni h SER 225 CO -0.39 0.00 -0.06 0.00 -0.87 0.00 0.00 176.83 175.50 2wni n GLN 226 N -2.52 1.05 -0.05 4.77 6.02 0.33 -3.57 117.38 123.41 2wni n GLN 226 Ca 0.00 -1.10 -0.04 0.00 -0.01 0.00 0.00 57.00 55.85 2wni n GLN 226 Cb 0.18 -1.22 -0.01 0.00 1.02 0.00 0.00 30.24 30.21 2wni n GLN 226 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2wni n LEU 227 N 0.47 1.27 -3.15 1.08 7.94 -0.92 -4.47 117.00 119.22 2wni n LEU 227 Ca 0.07 0.45 -0.19 0.00 -1.11 0.00 0.00 56.01 55.23 2wni n LEU 227 Cb 0.30 -0.73 -0.03 0.00 0.53 0.00 0.00 43.42 43.48 2wni n LEU 227 CO 0.10 -0.45 -0.19 0.00 -1.11 0.00 0.00 177.39 175.74 2wni n ALA 228 N -3.37 2.30 -4.28 1.96 0.00 -1.17 -4.94 120.51 111.01 2wni n ALA 228 Ca -0.06 -3.53 -0.33 0.00 0.00 0.00 0.00 53.44 49.52 2wni n ALA 228 Cb 0.23 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.68 2wni n ALA 228 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wni n TRP 229 N 0.22 -1.17 -0.23 0.00 8.01 -1.23 0.38 117.44 123.42 2wni n TRP 229 Ca 0.25 0.60 0.00 0.00 -1.31 0.00 0.00 57.50 57.05 2wni n TRP 229 Cb 0.64 -2.42 0.00 0.00 -2.01 0.00 0.00 31.31 27.52 2wni n TRP 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wni n GLY 230 N -2.10 2.11 0.22 6.99 0.00 -0.82 -4.89 105.19 106.70 2wni n GLY 230 Ca -0.20 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.96 2wni n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wni h LYS 231 N 1.89 0.00 -5.06 1.61 1.79 -0.32 -3.42 116.57 113.05 2wni h LYS 231 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 2wni h LYS 231 Cb 0.00 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 30.34 2wni h LYS 231 CO 0.00 0.00 -0.79 0.42 -1.08 0.00 0.00 179.45 178.00 2wni s ILE 232 N -3.32 2.72 0.00 1.86 1.01 -1.26 -4.96 121.20 117.25 2wni s ILE 232 Ca 0.06 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.99 2wni s ILE 232 Cb 0.07 -2.19 0.00 0.00 0.01 0.00 0.00 42.46 40.35 2wni s ILE 232 CO 0.62 0.49 0.02 0.00 0.00 0.00 0.00 174.94 176.07 2wni n ALA 233 N 4.59 0.75 -2.22 9.38 0.00 -1.26 -4.79 120.51 126.95 2wni n ALA 233 Ca -0.19 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.10 2wni n ALA 233 Cb 0.51 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.86 2wni n ALA 233 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2wni s GLN 234 N -0.33 1.02 0.30 0.00 -2.07 -1.26 -5.03 119.66 112.29 2wni s GLN 234 Ca 0.00 -1.45 -0.02 0.00 -1.82 0.00 0.00 55.36 52.07 2wni s GLN 234 Cb 0.00 -0.36 0.44 0.00 -1.09 0.00 0.00 33.01 31.99 2wni s GLN 234 CO 0.00 -0.03 1.95 0.00 -1.32 0.00 0.00 175.29 175.89 2wni h ALA 235 N 2.80 1.39 0.00 2.60 0.00 -1.98 0.58 119.26 124.64 2wni h ALA 235 Ca -0.36 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 2wni h ALA 235 Cb 1.19 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 2wni h ALA 235 CO 0.64 0.55 -0.11 0.66 0.00 0.00 0.00 179.25 180.98 2wni h SER 236 N 1.08 0.00 -0.02 0.00 4.64 -1.96 0.47 113.55 117.76 2wni h SER 236 Ca 0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.53 2wni h SER 236 Cb -0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 2wni h SER 236 CO -0.06 0.11 -0.19 1.56 -0.87 0.00 0.00 176.83 177.39 2wni h GLN 237 N 0.00 0.37 -0.14 4.77 4.20 -1.30 -2.15 115.11 120.86 2wni h GLN 237 Ca -0.00 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 2wni h GLN 237 Cb 0.23 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.97 2wni h GLN 237 CO 0.01 0.55 -0.07 0.82 -0.67 0.00 0.00 178.83 179.48 2wni h ILE 238 N 0.34 1.31 -0.56 2.54 1.08 -0.19 -3.08 117.51 118.96 2wni h ILE 238 Ca 0.06 -1.10 0.16 0.00 -0.39 0.00 0.00 64.86 63.59 2wni h ILE 238 Cb 0.53 1.74 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 2wni h ILE 238 CO 0.03 0.32 0.41 0.74 -0.69 0.00 0.00 178.15 178.97 2wni h THR 239 N -0.03 0.69 0.00 -0.27 2.02 -1.00 -0.99 112.91 113.33 2wni h THR 239 Ca 0.03 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.17 2wni h THR 239 Cb 0.54 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 2wni h THR 239 CO 0.02 0.00 -0.45 0.00 0.37 0.00 0.00 175.52 175.46 2wni h ALA 240 N 1.70 0.79 0.00 6.16 0.00 -1.31 -3.01 119.26 123.60 2wni h ALA 240 Ca 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wni h ALA 240 Cb 1.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2wni h ALA 240 CO -0.00 0.22 -0.32 -0.07 0.00 0.00 0.00 179.25 179.07 2wni h LEU 241 N 0.00 0.00 -2.00 0.00 3.38 -1.12 -3.39 115.31 112.18 2wni h LEU 241 Ca -0.01 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2wni h LEU 241 Cb 1.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.87 2wni h LEU 241 CO 0.02 0.03 0.19 -0.07 0.09 0.00 0.00 178.44 178.70 2wni h LEU 242 N 0.00 0.00 -2.59 1.67 3.38 -1.35 -1.75 115.31 114.67 2wni h LEU 242 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2wni h LEU 242 Cb 0.84 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2wni h LEU 242 CO 0.00 0.00 0.05 -0.65 0.09 0.00 0.00 178.44 177.93 2wni h PRO 243 N 0.00 0.00 -0.41 1.13 0.11 -1.80 0.31 132.00 131.35 2wni h PRO 243 Ca 0.13 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.12 2wni h PRO 243 Cb 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2wni h PRO 243 CO -0.00 0.00 -0.24 -0.07 -0.21 0.00 0.00 178.00 177.48 2wni h LEU 244 N 0.00 0.85 -0.49 2.35 3.38 -1.64 -1.03 115.31 118.73 2wni h LEU 244 Ca 0.01 -0.32 -0.12 0.00 0.09 0.00 0.00 57.88 57.55 2wni h LEU 244 Cb 0.11 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2wni h LEU 244 CO -0.00 1.05 -0.15 0.25 0.09 0.00 0.00 178.44 179.68 2wni h LEU 245 N 0.72 0.98 -0.57 1.67 5.85 -0.58 -2.29 115.31 121.09 2wni h LEU 245 Ca 0.09 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.42 2wni h LEU 245 Cb 0.77 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2wni h LEU 245 CO 0.06 1.13 0.27 0.74 -0.34 0.00 0.00 178.44 180.30 2wni h THR 246 N 0.82 1.21 -0.39 1.05 2.02 -1.04 -2.09 112.91 114.49 2wni h THR 246 Ca 0.12 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.72 2wni h THR 246 Cb 0.72 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2wni h THR 246 CO 0.05 0.23 0.25 -0.08 0.37 0.00 0.00 175.52 176.35 2wni h GLU 247 N 0.77 0.49 0.00 6.66 4.57 -0.83 0.27 114.58 126.51 2wni h GLU 247 Ca 0.19 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2wni h GLU 247 Cb 0.12 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 2wni h GLU 247 CO -0.02 0.33 -0.29 -0.97 -1.18 0.00 0.00 179.01 176.87 2wni h ASN 248 N 0.51 0.00 -0.04 1.04 -0.00 -1.24 -1.84 115.58 114.00 2wni h ASN 248 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.44 2wni h ASN 248 Cb -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 38.28 2wni h ASN 248 CO -0.04 0.29 -0.01 1.88 -0.00 0.00 0.00 177.43 179.55 2wni h TYR 249 N 0.00 0.09 -1.00 0.67 -1.99 -0.06 -1.77 116.97 112.91 2wni h TYR 249 Ca -0.00 -0.02 0.24 0.00 2.00 0.00 0.00 58.73 60.94 2wni h TYR 249 Cb 0.55 -0.02 -0.09 0.00 2.00 0.00 0.00 36.73 39.17 2wni h TYR 249 CO 0.00 0.42 0.64 -0.44 -0.00 0.00 0.00 178.16 178.78 2wni h ASP 250 N -0.27 0.50 -0.49 3.88 3.32 -0.16 -0.44 116.42 122.76 2wni h ASP 250 Ca 0.01 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2wni h ASP 250 Cb 0.40 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2wni h ASP 250 CO 0.00 0.14 0.00 0.18 -1.72 0.00 0.00 179.24 177.85 2wni n LEU 251 N -4.62 4.56 0.00 1.55 4.77 -0.73 -3.72 117.00 118.80 2wni n LEU 251 Ca 0.23 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 2wni n LEU 251 Cb 0.77 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 2wni n LEU 251 CO 0.26 0.72 0.00 -1.54 -1.33 0.00 0.00 177.39 175.50 2wni n SER 252 N 0.47 0.00 0.24 -1.43 3.41 -0.24 -4.87 113.62 111.20 2wni n SER 252 Ca 0.23 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.95 2wni n SER 252 Cb 0.92 0.00 0.62 0.00 -0.26 0.00 0.00 64.21 65.49 2wni n SER 252 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2wni h ASN 253 N 0.00 0.00 -0.52 4.04 -0.26 -1.72 -2.57 115.58 114.55 2wni h ASN 253 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 2wni h ASN 253 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 2wni h ASN 253 CO 0.00 0.17 0.00 0.47 -1.06 0.00 0.00 177.43 177.01 2wni n ASP 254 N -3.75 4.80 -4.66 5.81 8.00 -0.79 -4.10 116.55 121.86 2wni n ASP 254 Ca -0.02 -2.71 -0.43 0.00 0.71 0.00 0.00 54.79 52.34 2wni n ASP 254 Cb 0.28 -0.59 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2wni n ASP 254 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wni s VAL 255 N -2.33 4.30 0.15 2.53 1.01 -0.97 -4.87 120.40 120.22 2wni s VAL 255 Ca 0.49 1.57 -0.29 0.00 0.00 0.00 0.00 61.98 63.75 2wni s VAL 255 Cb 0.35 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2wni s VAL 255 CO 0.18 -0.13 1.56 0.25 0.00 0.00 0.00 175.10 176.95 2wni h LEU 256 N 9.65 -1.69 -0.87 3.92 5.85 -1.90 0.12 115.31 130.39 2wni h LEU 256 Ca -0.26 0.25 0.18 0.00 0.84 0.00 0.00 57.88 58.89 2wni h LEU 256 Cb 1.10 0.73 -0.11 0.00 0.37 0.00 0.00 40.66 42.76 2wni h LEU 256 CO 0.97 -0.35 0.41 0.22 -0.34 0.00 0.00 178.44 179.34 2wni h TYR 257 N -0.28 0.69 -0.26 1.25 3.20 -1.96 0.26 116.97 119.87 2wni h TYR 257 Ca 0.14 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2wni h TYR 257 Cb 0.57 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2wni h TYR 257 CO -0.74 0.06 -0.03 1.15 -1.64 0.00 0.00 178.16 176.95 2wni h THR 258 N 0.50 1.27 -0.31 1.81 2.02 -1.22 -0.84 112.91 116.13 2wni h THR 258 Ca 0.51 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.65 2wni h THR 258 Cb 0.86 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 2wni h THR 258 CO -0.45 0.32 0.03 0.00 0.37 0.00 0.00 175.52 175.79 2wni h ALA 259 N 0.79 1.47 -0.03 6.16 0.00 0.23 -1.15 119.26 126.74 2wni h ALA 259 Ca 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2wni h ALA 259 Cb 0.48 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wni h ALA 259 CO 0.02 0.38 -0.12 1.96 0.00 0.00 0.00 179.25 181.49 2wni h GLN 260 N 0.46 0.13 -0.48 0.00 4.20 -0.10 0.19 115.11 119.51 2wni h GLN 260 Ca 0.10 -0.10 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 2wni h GLN 260 Cb 0.25 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2wni h GLN 260 CO 0.00 0.75 0.05 0.87 -0.67 0.00 0.00 178.83 179.83 2wni h LYS 261 N -0.47 0.81 -0.00 1.46 1.79 -1.05 -3.01 116.57 116.10 2wni h LYS 261 Ca -0.01 -0.23 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2wni h LYS 261 Cb 0.77 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2wni h LYS 261 CO 0.02 0.83 -0.82 0.54 -1.08 0.00 0.00 179.45 178.95 2wni n ARG 262 N -4.40 0.21 0.00 3.15 1.74 -0.44 -4.43 116.66 112.49 2wni n ARG 262 Ca 0.01 -0.17 0.00 0.00 -0.77 0.00 0.00 57.85 56.92 2wni n ARG 262 Cb 0.27 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 2wni n ARG 262 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wni n GLY 263 N 1.48 0.21 0.36 -0.13 0.00 0.65 -4.70 105.19 103.07 2wni n GLY 263 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2wni n GLY 263 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wni h SER 264 N 0.00 0.88 0.11 1.61 0.02 -1.37 -0.25 113.55 114.55 2wni h SER 264 Ca 0.00 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.96 2wni h SER 264 Cb 0.00 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2wni h SER 264 CO 0.00 0.43 -0.17 1.62 -1.14 0.00 0.00 176.83 177.57 2wni h VAL 265 N 0.92 1.17 0.11 2.27 3.04 -1.82 0.12 116.25 122.05 2wni h VAL 265 Ca 0.52 -0.76 -0.24 0.00 -1.01 0.00 0.00 66.70 65.21 2wni h VAL 265 Cb 0.61 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 2wni h VAL 265 CO -0.30 0.23 -1.21 0.25 -1.01 0.00 0.00 177.57 175.53 2wni h LEU 266 N 0.12 0.35 -0.54 3.16 5.85 -1.36 -2.50 115.31 120.39 2wni h LEU 266 Ca 0.02 -0.86 0.06 0.00 0.84 0.00 0.00 57.88 57.95 2wni h LEU 266 Cb 0.37 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.23 2wni h LEU 266 CO 0.02 1.53 0.24 0.25 -0.34 0.00 0.00 178.44 180.14 2wni h LEU 267 N -0.40 0.29 -0.83 2.25 5.85 -0.95 -0.61 115.31 120.92 2wni h LEU 267 Ca -0.26 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.44 2wni h LEU 267 Cb 1.67 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2wni h LEU 267 CO 0.06 0.20 0.09 -1.13 -0.34 0.00 0.00 178.44 177.31 2wni h ASN 268 N 0.45 0.92 -0.29 1.25 -1.24 -0.81 0.72 115.58 116.58 2wni h ASN 268 Ca 0.25 -0.21 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 2wni h ASN 268 Cb 0.23 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 2wni h ASN 268 CO -0.22 0.93 0.06 0.00 -1.29 0.00 0.00 177.43 176.90 2wni h ALA 269 N 1.18 1.40 0.17 1.57 0.00 -0.92 0.14 119.26 122.81 2wni h ALA 269 Ca 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wni h ALA 269 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2wni h ALA 269 CO 0.01 0.43 -0.08 0.52 0.00 0.00 0.00 179.25 180.13 2wni h MET 270 N 0.55 -0.22 -0.61 0.00 2.86 0.50 0.13 114.93 118.14 2wni h MET 270 Ca 0.12 0.02 0.12 0.00 -2.06 0.00 0.00 59.70 57.90 2wni h MET 270 Cb 0.27 0.05 -0.10 0.00 0.06 0.00 0.00 31.60 31.88 2wni h MET 270 CO 0.00 0.18 0.07 -0.07 1.06 0.00 0.00 176.91 178.15 2wni h LEU 271 N -0.91 -0.13 -1.27 1.22 3.38 -0.92 0.69 115.31 117.37 2wni h LEU 271 Ca -0.02 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2wni h LEU 271 Cb 0.50 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2wni h LEU 271 CO 0.04 -0.06 0.34 0.44 0.09 0.00 0.00 178.44 179.30 2wni h ASP 272 N 0.19 0.75 0.56 -0.43 3.32 -0.64 -2.02 116.42 118.14 2wni h ASP 272 Ca 0.33 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.29 2wni h ASP 272 Cb 0.51 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 2wni h ASP 272 CO -0.47 0.60 -0.17 1.23 -1.72 0.00 0.00 179.24 178.71 2wni h GLY 273 N 0.91 0.00 -0.33 2.75 0.00 0.16 -2.41 103.07 104.15 2wni h GLY 273 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 2wni h GLY 273 CO -0.04 0.00 -0.63 1.55 0.00 0.00 0.00 176.54 177.42 2wni n VAL 274 N -3.56 0.00 -2.16 4.60 3.14 -0.56 -4.80 118.33 114.99 2wni n VAL 274 Ca -0.01 -0.13 -0.36 0.00 -2.96 0.00 0.00 64.34 60.88 2wni n VAL 274 Cb 0.31 0.97 0.01 0.00 -1.06 0.00 0.00 33.84 34.08 2wni n VAL 274 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2wni s LYS 275 N -2.70 3.31 0.72 1.45 1.02 -0.91 -4.80 119.74 117.83 2wni s LYS 275 Ca 0.15 1.74 -0.16 0.00 0.02 0.00 0.00 55.97 57.73 2wni s LYS 275 Cb 0.17 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.44 2wni s LYS 275 CO 0.68 -0.91 1.24 -2.14 -0.92 0.00 0.00 175.35 173.29 2wni s PRO 276 N -3.16 2.15 -0.24 -1.68 0.02 -1.26 -2.64 135.00 128.19 2wni s PRO 276 Ca 0.72 1.87 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2wni s PRO 276 Cb -0.28 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2wni s PRO 276 CO 0.31 -1.86 0.00 0.39 -0.33 0.00 0.00 177.00 175.52 2wni n GLU 277 N -2.58 -0.42 -1.53 5.54 -0.58 -1.26 -4.99 120.64 114.83 2wni n GLU 277 Ca 0.14 0.38 -0.33 0.00 -0.42 0.00 0.00 57.16 56.93 2wni n GLU 277 Cb 0.49 -3.90 0.07 0.00 -0.57 0.00 0.00 31.44 27.54 2wni n GLU 277 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wni s ALA 278 N -1.96 2.28 -0.10 0.62 0.00 -1.08 -5.01 121.76 116.52 2wni s ALA 278 Ca 0.00 0.58 0.03 0.00 0.00 0.00 0.00 51.96 52.57 2wni s ALA 278 Cb 0.00 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2wni s ALA 278 CO 0.00 -1.60 -0.21 0.45 0.00 0.00 0.00 175.76 174.40 2wni s SER 279 N -2.60 2.82 0.85 0.00 0.15 -1.26 -3.27 113.70 110.38 2wni s SER 279 Ca 0.68 -0.51 -0.12 0.00 0.70 0.00 0.00 55.95 56.70 2wni s SER 279 Cb -0.22 -1.29 0.10 0.00 -1.71 0.00 0.00 66.02 62.90 2wni s SER 279 CO 0.46 0.13 1.13 -2.16 1.20 0.00 0.00 173.24 174.00 2wni s PRO 280 N 0.46 1.66 -0.84 5.44 0.04 -1.26 -4.48 135.00 136.02 2wni s PRO 280 Ca -0.17 0.36 -0.19 0.00 0.04 0.00 0.00 61.00 61.03 2wni s PRO 280 Cb -0.17 -1.89 0.12 0.00 0.04 0.00 0.00 34.50 32.59 2wni s PRO 280 CO 0.07 -1.85 1.04 1.21 0.04 0.00 0.00 177.00 177.51 2wni s ASN 281 N -4.13 6.49 0.14 6.66 2.47 -1.20 -4.97 114.94 120.40 2wni s ASN 281 Ca 0.62 -1.78 0.07 0.00 0.42 0.00 0.00 52.86 52.19 2wni s ASN 281 Cb -0.14 -2.39 -0.04 0.00 -1.45 0.00 0.00 41.25 37.24 2wni s ASN 281 CO 0.53 -1.14 -0.16 0.68 -3.72 0.00 0.00 177.10 173.29 2wni s VAL 282 N 2.91 1.53 0.28 -5.21 -7.23 -1.26 -4.59 120.40 106.82 2wni s VAL 282 Ca 0.28 -1.79 0.11 0.00 -1.81 0.00 0.00 61.98 58.77 2wni s VAL 282 Cb -0.09 -1.66 -0.01 0.00 0.56 0.00 0.00 36.38 35.18 2wni s VAL 282 CO -0.04 -0.37 1.63 0.03 -0.31 0.00 0.00 175.10 176.04 2wni h ARG 283 N 3.42 0.00 -2.93 4.82 2.47 -0.34 -3.43 114.38 118.39 2wni h ARG 283 Ca -0.41 0.00 -0.41 0.00 -1.26 0.00 0.00 59.98 57.90 2wni h ARG 283 Cb 1.20 0.00 -0.39 0.00 -1.65 0.00 0.00 29.97 29.12 2wni h ARG 283 CO 0.51 0.59 -0.71 -0.46 0.56 0.00 0.00 179.97 180.45 2wni s TRP 284 N -3.65 0.05 -0.45 3.04 -0.00 0.21 -1.42 118.94 116.73 2wni s TRP 284 Ca -0.01 -0.12 -0.21 0.00 -0.00 0.00 0.00 56.10 55.76 2wni s TRP 284 Cb 0.13 -0.58 0.03 0.00 -0.00 0.00 0.00 33.47 33.04 2wni s TRP 284 CO 0.76 -0.51 0.64 -1.17 -0.00 0.00 0.00 176.95 176.67 2wni s LEU 285 N 2.19 4.53 -0.27 5.86 2.96 0.42 -1.61 118.68 132.77 2wni s LEU 285 Ca 0.03 -0.39 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 2wni s LEU 285 Cb -0.16 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.81 2wni s LEU 285 CO -0.09 -0.79 0.07 -0.22 -1.32 0.00 0.00 176.35 173.99 2wni s LEU 286 N 2.82 3.57 -0.09 -0.68 2.96 -0.38 -0.80 118.68 126.08 2wni s LEU 286 Ca 0.22 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.75 2wni s LEU 286 Cb -0.14 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 2wni s LEU 286 CO 0.18 -0.09 -0.12 -0.76 -1.32 0.00 0.00 176.35 174.25 2wni s LEU 287 N 1.57 2.86 -0.20 -0.68 1.43 0.85 -1.14 118.68 123.36 2wni s LEU 287 Ca 0.05 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2wni s LEU 287 Cb -0.16 -1.62 0.05 0.00 0.03 0.00 0.00 46.19 44.49 2wni s LEU 287 CO 0.03 0.28 -0.06 -0.69 0.23 0.00 0.00 176.35 176.13 2wni s VAL 288 N -0.31 1.36 0.00 -1.59 1.01 -0.68 -0.49 120.40 119.69 2wni s VAL 288 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.09 2wni s VAL 288 Cb -0.13 -1.55 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2wni s VAL 288 CO 0.03 0.05 0.00 0.00 0.00 0.00 0.00 175.10 175.17 2wni n ALA 289 N 4.77 0.00 -2.48 5.51 0.00 -0.04 -1.04 120.51 127.23 2wni n ALA 289 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.08 2wni n ALA 289 Cb 0.46 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.81 2wni n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wni s HIS 290 N 2.85 2.15 0.29 0.00 3.76 -1.26 -2.16 115.29 120.91 2wni s HIS 290 Ca 0.00 -0.62 -0.02 0.00 -0.15 0.00 0.00 55.06 54.26 2wni s HIS 290 Cb 0.00 -1.24 0.42 0.00 1.11 0.00 0.00 32.58 32.87 2wni s HIS 290 CO 0.00 0.40 1.93 0.38 -0.85 0.00 0.00 174.74 176.60 2wni h ASP 291 N 2.16 0.93 -0.92 1.40 3.04 -1.92 -0.26 116.42 120.85 2wni h ASP 291 Ca -0.41 -0.06 0.12 0.00 -3.24 0.00 0.00 57.03 53.44 2wni h ASP 291 Cb 1.24 -0.23 -0.07 0.00 -1.04 0.00 0.00 39.33 39.23 2wni h ASP 291 CO 0.69 0.72 0.59 0.71 -2.04 0.00 0.00 179.24 179.91 2wni h THR 292 N 1.06 0.91 -0.50 1.15 1.35 -1.99 0.13 112.91 115.02 2wni h THR 292 Ca 0.27 -0.29 -0.05 0.00 -0.55 0.00 0.00 66.41 65.79 2wni h THR 292 Cb -0.02 -0.01 -0.02 0.00 -1.73 0.00 0.00 68.15 66.36 2wni h THR 292 CO -0.05 0.16 0.10 0.78 -0.25 0.00 0.00 175.52 176.26 2wni h ASN 293 N 0.85 0.78 0.23 5.36 4.21 -1.44 -1.33 115.58 124.24 2wni h ASN 293 Ca 0.45 -0.25 -0.14 0.00 1.21 0.00 0.00 56.30 57.57 2wni h ASN 293 Cb 0.53 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 2wni h ASN 293 CO -0.21 0.83 -0.54 0.40 -1.29 0.00 0.00 177.43 176.61 2wni h ILE 294 N 0.70 1.35 -0.52 2.81 2.04 -0.47 -1.17 117.51 122.25 2wni h ILE 294 Ca 0.15 -1.83 -0.09 0.00 1.00 0.00 0.00 64.86 64.10 2wni h ILE 294 Cb 0.37 1.86 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2wni h ILE 294 CO 0.01 0.55 -0.01 0.00 0.00 0.00 0.00 178.15 178.70 2wni h ALA 295 N 1.17 0.70 -0.37 1.87 0.00 -0.73 -0.01 119.26 121.89 2wni h ALA 295 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.50 2wni h ALA 295 Cb 1.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2wni h ALA 295 CO 0.09 0.52 -0.24 0.52 0.00 0.00 0.00 179.25 180.14 2wni h MET 296 N 0.79 0.82 -0.55 0.00 2.86 -0.79 -0.86 114.93 117.20 2wni h MET 296 Ca 0.15 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.37 2wni h MET 296 Cb 0.54 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2wni h MET 296 CO 0.03 1.02 0.25 0.28 1.06 0.00 0.00 176.91 179.54 2wni h VAL 297 N 0.61 1.21 0.00 -2.22 2.07 -0.81 -1.93 116.25 115.18 2wni h VAL 297 Ca 0.07 -0.62 -0.10 0.00 0.82 0.00 0.00 66.70 66.87 2wni h VAL 297 Cb 0.81 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 2wni h VAL 297 CO 0.07 0.25 -0.46 0.08 0.02 0.00 0.00 177.57 177.53 2wni h ARG 298 N 0.75 0.00 -0.32 1.57 -0.00 -0.74 -0.41 114.38 115.23 2wni h ARG 298 Ca 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 59.98 60.09 2wni h ARG 298 Cb 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.11 2wni h ARG 298 CO -0.02 0.46 -0.09 1.15 -0.00 0.00 0.00 179.97 181.46 2wni h THR 299 N 0.00 1.28 -0.69 0.08 2.02 -0.70 -0.25 112.91 114.64 2wni h THR 299 Ca -0.00 -1.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 2wni h THR 299 Cb 1.02 1.36 -0.03 0.00 -1.74 0.00 0.00 68.15 68.75 2wni h THR 299 CO 0.06 0.37 0.39 -0.07 0.37 0.00 0.00 175.52 176.64 2wni h LEU 300 N 0.41 0.85 -1.35 2.58 3.38 -1.02 0.55 115.31 120.71 2wni h LEU 300 Ca 0.08 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wni h LEU 300 Cb 0.60 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.13 2wni h LEU 300 CO 0.04 0.67 0.00 0.24 0.09 0.00 0.00 178.44 179.48 2wni h MET 301 N 0.96 0.00 -6.20 1.13 2.86 -0.86 -3.39 114.93 109.43 2wni h MET 301 Ca 0.25 0.00 -0.45 0.00 -2.06 0.00 0.00 59.70 57.44 2wni h MET 301 Cb 0.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2wni h MET 301 CO -0.04 0.00 -0.80 -1.71 1.06 0.00 0.00 176.91 175.42 2wni n ASN 302 N -2.54 -2.81 -4.15 1.22 4.05 0.18 -4.81 115.26 106.41 2wni n ASN 302 Ca 0.00 -0.81 -0.35 0.00 0.45 0.00 0.00 54.58 53.87 2wni n ASN 302 Cb 0.18 -3.94 -0.13 0.00 1.23 0.00 0.00 39.78 37.11 2wni n ASN 302 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 2wni s PHE 303 N -3.52 3.38 -0.11 1.20 5.36 -0.25 -5.04 117.98 119.00 2wni s PHE 303 Ca 0.31 -2.07 -0.03 0.00 -0.96 0.00 0.00 56.93 54.17 2wni s PHE 303 Cb -0.15 -2.45 -0.03 0.00 -0.34 0.00 0.00 43.02 40.04 2wni s PHE 303 CO 0.82 -0.85 0.01 0.45 -1.46 0.00 0.00 175.22 174.19 2wni s SER 304 N 1.38 5.28 0.16 6.13 0.15 -1.26 -4.66 113.70 120.88 2wni s SER 304 Ca -0.01 0.11 0.02 0.00 0.70 0.00 0.00 55.95 56.77 2wni s SER 304 Cb -0.20 -1.62 -0.05 0.00 -1.71 0.00 0.00 66.02 62.44 2wni s SER 304 CO -0.02 0.32 -0.01 -1.66 1.20 0.00 0.00 173.24 173.07 2wni s TRP 305 N -0.53 1.15 -0.15 3.44 -2.14 -1.26 -5.00 118.94 114.46 2wni s TRP 305 Ca 0.09 -1.00 -0.05 0.00 2.66 0.00 0.00 56.10 57.81 2wni s TRP 305 Cb -0.12 -0.65 0.07 0.00 -3.10 0.00 0.00 33.47 29.67 2wni s TRP 305 CO 0.02 -0.20 0.27 -1.14 -2.66 0.00 0.00 176.95 173.24 2wni s GLN 306 N -3.90 0.17 -0.01 3.25 0.74 -1.26 0.24 119.66 118.89 2wni s GLN 306 Ca 0.22 0.68 0.00 0.00 0.05 0.00 0.00 55.36 56.31 2wni s GLN 306 Cb 0.06 -0.19 -0.04 0.00 1.10 0.00 0.00 33.01 33.94 2wni s GLN 306 CO 0.02 -0.35 0.05 -0.51 -0.55 0.00 0.00 175.29 173.95 2wni s LEU 307 N 2.42 3.74 0.31 3.68 1.43 -1.26 -5.02 118.68 123.97 2wni s LEU 307 Ca 0.02 0.09 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 2wni s LEU 307 Cb -0.13 -2.15 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 2wni s LEU 307 CO -0.09 0.28 1.29 -2.65 0.23 0.00 0.00 176.35 175.41 2wni n PRO 308 N 1.30 2.02 -0.81 1.29 -0.02 -1.26 -0.88 135.00 136.64 2wni n PRO 308 Ca -0.14 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2wni n PRO 308 Cb 0.53 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2wni n PRO 308 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wni n GLY 309 N 1.23 0.95 3.24 -1.23 0.00 -1.26 -4.88 105.19 103.23 2wni n GLY 309 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2wni n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wni s TYR 310 N -3.64 1.37 0.75 1.61 2.02 -0.05 -4.50 117.35 114.90 2wni s TYR 310 Ca 0.00 -0.58 -0.02 0.00 -0.37 0.00 0.00 57.07 56.10 2wni s TYR 310 Cb 0.00 -0.71 0.14 0.00 -0.40 0.00 0.00 41.96 40.98 2wni s TYR 310 CO 0.00 0.13 1.03 -1.54 -1.57 0.00 0.00 175.55 173.60 2wni s SER 311 N -2.54 4.22 0.36 2.29 1.04 -1.26 -4.29 113.70 113.51 2wni s SER 311 Ca 0.10 -0.32 -0.28 0.00 0.48 0.00 0.00 55.95 55.93 2wni s SER 311 Cb -0.04 -0.02 -0.10 0.00 0.10 0.00 0.00 66.02 65.96 2wni s SER 311 CO 0.03 -1.95 1.32 -0.60 0.98 0.00 0.00 173.24 173.01 2wni s ARG 312 N -5.22 4.23 0.00 4.02 3.52 -1.26 -1.93 118.95 122.30 2wni s ARG 312 Ca 0.67 2.23 0.00 0.00 -0.13 0.00 0.00 55.73 58.50 2wni s ARG 312 Cb -0.05 -2.97 0.00 0.00 -1.56 0.00 0.00 34.95 30.37 2wni s ARG 312 CO 0.45 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 175.05 2wni n GLY 313 N 0.73 1.66 3.77 8.12 0.00 0.14 -4.74 105.19 114.86 2wni n GLY 313 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2wni n GLY 313 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wni s ASN 314 N -3.19 6.35 -0.56 1.61 3.84 -0.81 -4.96 114.94 117.22 2wni s ASN 314 Ca 0.00 3.01 0.01 0.00 0.21 0.00 0.00 52.86 56.10 2wni s ASN 314 Cb 0.00 -2.65 0.14 0.00 -0.55 0.00 0.00 41.25 38.19 2wni s ASN 314 CO 0.00 -0.90 0.33 -0.63 -2.79 0.00 0.00 177.10 173.11 2wni s ILE 315 N -0.62 3.02 0.81 -5.21 1.01 -1.26 -4.95 121.20 113.99 2wni s ILE 315 Ca 0.57 -3.19 -0.11 0.00 0.00 0.00 0.00 60.65 57.93 2wni s ILE 315 Cb -0.47 -3.04 0.08 0.00 0.01 0.00 0.00 42.46 39.04 2wni s ILE 315 CO 0.57 -0.83 1.13 -2.84 0.00 0.00 0.00 174.94 172.97 2wni s PRO 316 N -0.21 1.84 0.29 2.79 0.02 -1.26 -4.92 135.00 133.55 2wni s PRO 316 Ca 0.17 1.41 -0.30 0.00 0.02 0.00 0.00 61.00 62.30 2wni s PRO 316 Cb -0.24 -1.83 -0.13 0.00 0.02 0.00 0.00 34.50 32.33 2wni s PRO 316 CO -0.01 -2.00 1.41 -0.35 -0.33 0.00 0.00 177.00 175.72 2wni n PRO 317 N -3.57 2.23 -0.99 5.54 -0.04 -1.26 -1.84 135.00 135.07 2wni n PRO 317 Ca 0.11 0.79 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2wni n PRO 317 Cb 0.52 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 2wni n PRO 317 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wni n GLY 318 N 1.59 0.43 3.94 0.55 0.00 0.15 -4.80 105.19 107.05 2wni n GLY 318 Ca 0.08 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 2wni n GLY 318 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wni s SER 319 N -2.05 4.56 0.00 1.61 1.04 -0.77 -4.75 113.70 113.34 2wni s SER 319 Ca 0.00 0.32 -0.21 0.00 0.48 0.00 0.00 55.95 56.54 2wni s SER 319 Cb 0.00 -0.87 0.04 0.00 0.10 0.00 0.00 66.02 65.30 2wni s SER 319 CO 0.00 -1.76 0.47 -0.94 0.98 0.00 0.00 173.24 171.99 2wni s SER 320 N -4.59 -0.38 -0.16 7.02 1.04 -0.58 -0.44 113.70 115.61 2wni s SER 320 Ca 0.62 0.24 -0.06 0.00 0.48 0.00 0.00 55.95 57.24 2wni s SER 320 Cb -0.09 0.43 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 2wni s SER 320 CO 0.45 -0.59 0.04 -0.22 0.98 0.00 0.00 173.24 173.91 2wni s LEU 321 N -1.56 3.72 -0.03 2.42 0.20 0.15 -0.85 118.68 122.72 2wni s LEU 321 Ca -0.09 0.07 0.03 0.00 0.69 0.00 0.00 54.13 54.83 2wni s LEU 321 Cb -0.02 -1.92 -0.00 0.00 -0.43 0.00 0.00 46.19 43.82 2wni s LEU 321 CO 0.03 0.21 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.48 2wni s VAL 322 N 0.16 1.06 -0.19 1.68 1.01 -0.29 -0.38 120.40 123.46 2wni s VAL 322 Ca 0.03 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.47 2wni s VAL 322 Cb -0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.32 2wni s VAL 322 CO 0.01 0.32 -0.05 -0.76 0.00 0.00 0.00 175.10 174.62 2wni s LEU 323 N 0.11 2.99 -0.13 3.92 1.43 0.16 -1.67 118.68 125.49 2wni s LEU 323 Ca -0.03 -0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 2wni s LEU 323 Cb -0.10 -1.74 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2wni s LEU 323 CO 0.01 0.07 -0.08 -1.61 0.23 0.00 0.00 176.35 174.96 2wni s GLU 324 N 0.97 3.44 -0.32 1.70 2.02 0.61 0.14 118.70 127.26 2wni s GLU 324 Ca -0.00 -0.60 -0.14 0.00 0.02 0.00 0.00 54.97 54.25 2wni s GLU 324 Cb -0.15 -2.75 -0.02 0.00 0.10 0.00 0.00 34.13 31.31 2wni s GLU 324 CO 0.01 0.28 0.29 0.50 0.02 0.00 0.00 175.26 176.36 2wni s ARG 325 N 0.23 3.66 0.18 1.61 3.52 0.33 -0.13 118.95 128.34 2wni s ARG 325 Ca -0.05 -0.43 0.07 0.00 -0.13 0.00 0.00 55.73 55.19 2wni s ARG 325 Cb -0.15 -3.77 -0.04 0.00 -1.56 0.00 0.00 34.95 29.44 2wni s ARG 325 CO 0.04 -0.41 -0.00 -1.58 -0.81 0.00 0.00 175.30 172.54 2wni s TRP 326 N 1.88 2.84 -0.05 5.12 0.52 0.19 0.80 118.94 130.23 2wni s TRP 326 Ca 0.09 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.11 2wni s TRP 326 Cb -0.17 -1.37 -0.00 0.00 -1.15 0.00 0.00 33.47 30.78 2wni s TRP 326 CO 0.11 0.52 -0.17 0.50 0.02 0.00 0.00 176.95 177.93 2wni s ARG 327 N -2.98 1.91 -0.36 4.98 3.52 0.42 0.13 118.95 126.57 2wni s ARG 327 Ca 0.28 -0.61 -0.29 0.00 -0.13 0.00 0.00 55.73 54.97 2wni s ARG 327 Cb -0.09 -1.62 -0.00 0.00 -1.56 0.00 0.00 34.95 31.68 2wni s ARG 327 CO 0.19 0.21 1.53 0.34 -0.81 0.00 0.00 175.30 176.76 2wni s ASP 328 N 0.14 6.26 0.22 -2.12 -1.08 -0.21 -0.79 116.67 119.10 2wni s ASP 328 Ca -0.07 1.09 -0.09 0.00 -0.52 0.00 0.00 52.55 52.96 2wni s ASP 328 Cb -0.13 -2.54 0.34 0.00 -1.46 0.00 0.00 42.92 39.14 2wni s ASP 328 CO 0.03 -1.45 1.66 0.00 0.52 0.00 0.00 175.17 175.93 2wni h ALA 329 N 11.13 0.69 -0.34 3.66 0.00 0.27 0.30 119.26 134.97 2wni h ALA 329 Ca -0.30 0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wni h ALA 329 Cb 1.13 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2wni h ALA 329 CO 1.06 -0.39 0.00 1.17 0.00 0.00 0.00 179.25 181.09 2wni n LYS 330 N -5.27 0.00 0.06 0.00 4.81 -1.26 -3.95 118.16 112.55 2wni n LYS 330 Ca 0.10 0.49 0.13 0.00 -0.87 0.00 0.00 58.31 58.16 2wni n LYS 330 Cb 0.39 -1.44 0.33 0.00 0.02 0.00 0.00 35.03 34.32 2wni n LYS 330 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 2wni n SER 331 N -1.91 0.63 0.00 3.14 3.41 -1.19 -4.90 113.62 112.79 2wni n SER 331 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2wni n SER 331 Cb 0.00 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 2wni n SER 331 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wni n GLY 332 N 1.37 0.26 3.76 5.00 0.00 0.10 -5.01 105.19 110.68 2wni n GLY 332 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2wni n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wni s GLU 333 N -1.00 2.86 0.03 1.61 2.02 -1.25 -4.66 118.70 118.31 2wni s GLU 333 Ca 0.00 1.61 0.03 0.00 0.02 0.00 0.00 54.97 56.63 2wni s GLU 333 Cb 0.00 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.25 2wni s GLU 333 CO 0.00 -1.24 0.01 1.03 0.02 0.00 0.00 175.26 175.07 2wni s ARG 334 N -3.68 2.73 0.07 1.61 0.52 -1.26 -1.04 118.95 117.89 2wni s ARG 334 Ca 0.72 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2wni s ARG 334 Cb -0.25 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 32.55 2wni s ARG 334 CO 0.37 0.59 -0.07 0.71 0.02 0.00 0.00 175.30 176.92 2wni s TYR 335 N -1.18 0.81 -0.09 -0.53 1.51 0.12 -1.84 117.35 116.16 2wni s TYR 335 Ca 0.22 -0.71 0.01 0.00 -1.01 0.00 0.00 57.07 55.58 2wni s TYR 335 Cb -0.12 -0.47 -0.02 0.00 -0.11 0.00 0.00 41.96 41.24 2wni s TYR 335 CO 0.14 -0.11 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.17 2wni s LEU 336 N -2.36 2.75 -0.12 -1.29 2.96 0.19 -0.64 118.68 120.17 2wni s LEU 336 Ca 0.02 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.63 2wni s LEU 336 Cb -0.02 -1.59 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2wni s LEU 336 CO -0.02 0.25 0.02 -0.60 -1.32 0.00 0.00 176.35 174.67 2wni s ARG 337 N -0.14 3.33 -0.05 1.98 3.52 0.81 -0.41 118.95 127.99 2wni s ARG 337 Ca -0.01 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2wni s ARG 337 Cb -0.14 -2.93 0.02 0.00 -1.56 0.00 0.00 34.95 30.35 2wni s ARG 337 CO 0.03 0.55 -0.07 0.08 -0.81 0.00 0.00 175.30 175.08 2wni s VAL 338 N -0.44 0.74 0.13 7.11 1.01 -1.26 -0.29 120.40 127.41 2wni s VAL 338 Ca 0.08 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.64 2wni s VAL 338 Cb -0.12 -0.73 0.05 0.00 0.00 0.00 0.00 36.38 35.58 2wni s VAL 338 CO 0.02 0.27 0.46 -0.72 0.00 0.00 0.00 175.10 175.14 2wni s TYR 339 N 0.86 -0.31 -0.07 5.22 1.13 -0.67 -0.06 117.35 123.45 2wni s TYR 339 Ca -0.12 0.04 0.01 0.00 -1.41 0.00 0.00 57.07 55.59 2wni s TYR 339 Cb -0.15 0.35 -0.03 0.00 -1.10 0.00 0.00 41.96 41.04 2wni s TYR 339 CO 0.01 -0.75 -0.09 0.12 -2.51 0.00 0.00 175.55 172.33 2wni s PHE 340 N -3.75 2.86 0.07 -3.49 5.36 -0.20 -1.13 117.98 117.69 2wni s PHE 340 Ca 0.02 -0.09 0.04 0.00 -0.96 0.00 0.00 56.93 55.94 2wni s PHE 340 Cb 0.01 -1.70 -0.03 0.00 -0.34 0.00 0.00 43.02 40.96 2wni s PHE 340 CO -0.12 0.24 -0.11 1.14 -1.46 0.00 0.00 175.22 174.90 2wni s GLN 341 N -0.66 0.73 0.36 10.12 -2.07 -0.03 -1.37 119.66 126.74 2wni s GLN 341 Ca 0.10 -0.93 -0.15 0.00 -1.82 0.00 0.00 55.36 52.55 2wni s GLN 341 Cb -0.11 -0.60 0.04 0.00 -1.09 0.00 0.00 33.01 31.25 2wni s GLN 341 CO 0.01 0.12 0.74 0.00 -1.32 0.00 0.00 175.29 174.85 2wni s ALA 342 N -1.53 -0.66 0.15 2.60 0.00 0.08 -1.53 121.76 120.87 2wni s ALA 342 Ca -0.03 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.20 2wni s ALA 342 Cb -0.09 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 2wni s ALA 342 CO 0.01 -0.97 0.21 -0.65 0.00 0.00 0.00 175.76 174.36 2wni s GLN 343 N -2.69 3.19 1.01 0.00 -0.21 -1.26 0.96 119.66 120.67 2wni s GLN 343 Ca 0.16 -0.71 -0.12 0.00 0.02 0.00 0.00 55.36 54.71 2wni s GLN 343 Cb -0.05 -2.83 0.20 0.00 1.00 0.00 0.00 33.01 31.33 2wni s GLN 343 CO 0.12 0.51 1.09 0.20 -2.12 0.00 0.00 175.29 175.09 2wni s GLY 344 N -3.11 1.56 0.21 3.09 0.00 -1.26 -4.80 107.32 103.00 2wni s GLY 344 Ca 0.33 -0.37 -0.08 0.00 0.00 0.00 0.00 44.72 44.60 2wni s GLY 344 CO 0.26 0.25 1.76 1.41 0.00 0.00 0.00 173.10 176.79 2wni h LEU 345 N -1.95 1.07 -0.11 0.66 3.38 -1.90 -1.74 115.31 114.71 2wni h LEU 345 Ca -0.55 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.07 2wni h LEU 345 Cb 1.33 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 2wni h LEU 345 CO 0.57 0.96 -0.77 0.44 0.09 0.00 0.00 178.44 179.74 2wni h ASP 346 N 1.11 0.00 -0.61 -0.43 3.32 -1.96 -1.44 116.42 116.41 2wni h ASP 346 Ca 0.25 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.25 2wni h ASP 346 Cb 0.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 2wni h ASP 346 CO -0.02 0.77 0.18 0.44 -1.72 0.00 0.00 179.24 178.89 2wni h ASP 347 N 0.00 0.90 -0.36 6.45 3.32 -1.86 0.34 116.42 125.21 2wni h ASP 347 Ca -0.01 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 2wni h ASP 347 Cb 1.54 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 2wni h ASP 347 CO 0.10 0.87 0.16 -0.07 -1.72 0.00 0.00 179.24 178.59 2wni h LEU 348 N 0.88 0.48 -1.01 1.55 3.38 -1.26 0.33 115.31 119.66 2wni h LEU 348 Ca 0.20 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2wni h LEU 348 Cb 0.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2wni h LEU 348 CO -0.00 0.49 -0.03 -0.09 0.09 0.00 0.00 178.44 178.89 2wni h ARG 349 N 0.44 0.67 -0.28 1.13 2.43 -0.65 -2.30 114.38 115.82 2wni h ARG 349 Ca 0.12 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2wni h ARG 349 Cb 0.14 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2wni h ARG 349 CO -0.01 0.71 0.00 0.54 -1.51 0.00 0.00 179.97 179.70 2wni n ARG 350 N -4.22 1.97 -4.16 0.20 1.74 0.11 -4.40 116.66 107.90 2wni n ARG 350 Ca 0.02 -1.47 -0.32 0.00 -0.77 0.00 0.00 57.85 55.30 2wni n ARG 350 Cb 0.30 -1.41 -0.04 0.00 -1.02 0.00 0.00 32.46 30.29 2wni n ARG 350 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wni n LEU 351 N 0.69 -1.74 -4.69 0.55 4.77 -0.63 -4.84 117.00 111.12 2wni n LEU 351 Ca 0.16 -1.06 -0.42 0.00 -0.03 0.00 0.00 56.01 54.67 2wni n LEU 351 Cb 0.40 -2.04 -0.03 0.00 -2.33 0.00 0.00 43.42 39.42 2wni n LEU 351 CO 0.13 0.35 1.45 -1.58 -1.33 0.00 0.00 177.39 176.41 2wni s GLN 352 N -6.88 4.15 -0.17 3.23 2.00 0.11 -4.94 119.66 117.16 2wni s GLN 352 Ca 0.41 2.53 -0.29 0.00 -2.00 0.00 0.00 55.36 56.01 2wni s GLN 352 Cb -0.22 -3.65 -0.00 0.00 0.80 0.00 0.00 33.01 29.93 2wni s GLN 352 CO 0.93 -0.83 1.03 -0.08 -0.50 0.00 0.00 175.29 175.84 2wni s THR 353 N 2.90 4.71 0.17 -0.34 -1.32 -1.26 -4.89 115.64 115.61 2wni s THR 353 Ca 0.80 2.03 -0.31 0.00 -1.21 0.00 0.00 61.69 62.99 2wni s THR 353 Cb -0.44 -4.30 -0.10 0.00 -1.51 0.00 0.00 72.50 66.15 2wni s THR 353 CO 0.36 -0.10 1.53 -2.16 -2.21 0.00 0.00 174.62 172.04 2wni s PRO 354 N 2.69 4.23 0.32 7.08 0.04 -1.26 -4.86 135.00 143.24 2wni s PRO 354 Ca 0.46 2.32 -0.18 0.00 0.04 0.00 0.00 61.00 63.64 2wni s PRO 354 Cb -0.17 -3.16 0.05 0.00 0.04 0.00 0.00 34.50 31.26 2wni s PRO 354 CO 0.11 -0.57 0.81 0.16 0.04 0.00 0.00 177.00 177.55 2wni s ASP 355 N 1.06 -0.08 0.30 6.66 1.47 -0.92 -4.92 116.67 120.24 2wni s ASP 355 Ca 0.68 -0.91 0.03 0.00 1.18 0.00 0.00 52.55 53.54 2wni s ASP 355 Cb -0.43 0.76 0.76 0.00 -0.34 0.00 0.00 42.92 43.67 2wni s ASP 355 CO 0.32 -1.48 1.63 0.00 0.68 0.00 0.00 175.17 176.32 2wni h ALA 356 N 2.00 1.32 0.00 2.11 0.00 -1.99 0.32 119.26 123.02 2wni h ALA 356 Ca -0.28 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wni h ALA 356 Cb 1.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2wni h ALA 356 CO 0.34 -0.52 -0.08 0.37 0.00 0.00 0.00 179.25 179.36 2wni h GLN 357 N 0.16 0.00 -2.03 0.00 4.15 -1.96 -3.38 115.11 112.05 2wni h GLN 357 Ca 0.58 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 59.44 2wni h GLN 357 Cb 1.21 0.00 -0.39 0.00 0.21 0.00 0.00 27.48 28.51 2wni h GLN 357 CO -0.71 0.00 -1.04 0.72 -1.93 0.00 0.00 178.83 175.87 2wni n HIS 358 N -2.56 0.21 -2.02 3.99 8.25 0.11 -5.14 115.22 118.05 2wni n HIS 358 Ca 0.05 -3.65 -0.32 0.00 -0.26 0.00 0.00 57.72 53.54 2wni n HIS 358 Cb 0.47 -0.38 0.01 0.00 1.12 0.00 0.00 29.99 31.21 2wni n HIS 358 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wni s PRO 359 N -1.40 3.44 0.49 -0.41 0.04 -0.80 -2.16 135.00 134.20 2wni s PRO 359 Ca 0.36 1.03 -0.22 0.00 0.04 0.00 0.00 61.00 62.21 2wni s PRO 359 Cb 0.17 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2wni s PRO 359 CO -0.10 -0.70 0.98 -1.33 0.04 0.00 0.00 177.00 175.90 2wni n MET 360 N -2.22 1.19 -2.73 4.56 2.81 -1.26 -4.86 117.12 114.62 2wni n MET 360 Ca 0.08 0.44 -0.33 0.00 -1.81 0.00 0.00 57.70 56.07 2wni n MET 360 Cb 0.53 -2.08 -0.06 0.00 -0.71 0.00 0.00 33.22 30.90 2wni n MET 360 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wni s LEU 361 N -0.98 3.88 -0.23 4.03 1.43 0.27 -4.90 118.68 122.18 2wni s LEU 361 Ca 0.67 1.70 -0.21 0.00 -1.03 0.00 0.00 54.13 55.26 2wni s LEU 361 Cb -0.50 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.24 2wni s LEU 361 CO 0.54 -0.44 0.62 -0.60 0.23 0.00 0.00 176.35 176.69 2wni s ARG 362 N -3.31 0.72 -0.04 1.70 3.52 -1.26 -0.74 118.95 119.54 2wni s ARG 362 Ca 0.62 0.86 0.01 0.00 -0.13 0.00 0.00 55.73 57.09 2wni s ARG 362 Cb -0.10 0.35 0.02 0.00 -1.56 0.00 0.00 34.95 33.66 2wni s ARG 362 CO 0.16 -0.09 -0.05 -1.14 -0.81 0.00 0.00 175.30 173.38 2wni s GLN 363 N 0.33 0.78 0.15 5.12 0.74 -0.47 -4.98 119.66 121.34 2wni s GLN 363 Ca -0.00 -0.14 -0.18 0.00 0.05 0.00 0.00 55.36 55.09 2wni s GLN 363 Cb -0.04 -0.78 -0.07 0.00 1.10 0.00 0.00 33.01 33.22 2wni s GLN 363 CO 0.01 -0.03 0.63 -1.21 -0.55 0.00 0.00 175.29 174.14 2wni s GLU 364 N 0.68 4.17 0.20 1.67 2.02 -1.26 -1.04 118.70 125.15 2wni s GLU 364 Ca -0.09 0.73 -0.19 0.00 0.02 0.00 0.00 54.97 55.44 2wni s GLU 364 Cb -0.12 -3.02 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 2wni s GLU 364 CO 0.00 0.50 0.70 -0.46 0.02 0.00 0.00 175.26 176.02 2wni s TRP 365 N -1.37 3.66 0.12 1.61 -0.00 0.91 -4.97 118.94 118.90 2wni s TRP 365 Ca 0.37 1.34 -0.06 0.00 -0.00 0.00 0.00 56.10 57.76 2wni s TRP 365 Cb -0.17 -2.58 -0.02 0.00 -0.00 0.00 0.00 33.47 30.70 2wni s TRP 365 CO 0.20 0.36 0.16 -0.98 -0.00 0.00 0.00 176.95 176.70 2wni s ARG 366 N -1.92 0.95 0.13 5.86 1.70 -1.26 -4.65 118.95 119.77 2wni s ARG 366 Ca 0.42 -1.19 -0.25 0.00 -0.47 0.00 0.00 55.73 54.24 2wni s ARG 366 Cb -0.17 0.31 0.07 0.00 -0.57 0.00 0.00 34.95 34.59 2wni s ARG 366 CO 0.21 -0.30 0.88 1.14 -1.08 0.00 0.00 175.30 176.15 2wni s GLN 367 N -3.95 1.19 0.34 3.89 -2.07 -1.26 -5.07 119.66 112.73 2wni s GLN 367 Ca 0.14 -0.60 -0.28 0.00 -1.82 0.00 0.00 55.36 52.80 2wni s GLN 367 Cb 0.05 0.44 -0.12 0.00 -1.09 0.00 0.00 33.01 32.29 2wni s GLN 367 CO -0.04 -0.54 1.32 -2.30 -1.32 0.00 0.00 175.29 172.41 2wni n PRO 368 N -0.41 2.20 0.00 9.60 -0.02 -1.26 -1.73 135.00 143.38 2wni n PRO 368 Ca -0.07 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2wni n PRO 368 Cb 0.61 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 2wni n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wni n GLY 369 N 0.75 2.75 3.76 -1.23 0.00 -1.26 -5.01 105.19 104.96 2wni n GLY 369 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2wni n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wni s ARG 371 N -3.75 1.80 0.06 0.00 1.70 0.12 -4.93 118.95 113.96 2wni s ARG 371 Ca 0.71 -1.12 -0.31 0.00 -0.47 0.00 0.00 55.73 54.54 2wni s ARG 371 Cb -0.24 -2.04 -0.06 0.00 -0.57 0.00 0.00 34.95 32.04 2wni s ARG 371 CO 0.37 0.51 1.26 -1.14 -1.08 0.00 0.00 175.30 175.22 2wni s GLN 372 N -1.54 4.39 0.21 3.89 2.00 -1.26 -0.90 119.66 126.45 2wni s GLN 372 Ca 0.14 1.85 0.00 0.00 -2.00 0.00 0.00 55.36 55.35 2wni s GLN 372 Cb -0.10 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 2wni s GLN 372 CO 0.05 -0.34 0.10 0.95 -0.50 0.00 0.00 175.29 175.54 2wni s THR 373 N 1.28 0.28 0.37 -0.34 -4.23 -0.83 -4.96 115.64 107.21 2wni s THR 373 Ca 0.60 -1.99 0.36 0.00 -1.18 0.00 0.00 61.69 59.48 2wni s THR 373 Cb -0.31 -2.47 0.36 0.00 1.34 0.00 0.00 72.50 71.42 2wni s THR 373 CO 0.29 -0.09 2.09 0.44 -0.54 0.00 0.00 174.62 176.80 2wni h ASP 374 N 2.56 0.00 -0.33 3.99 3.32 -2.00 -1.65 116.42 122.32 2wni h ASP 374 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2wni h ASP 374 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 2wni h ASP 374 CO 0.57 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 179.42 2wni n VAL 375 N -2.77 0.62 0.00 -1.35 0.24 -1.26 -5.09 118.33 108.72 2wni n VAL 375 Ca -0.02 -0.81 0.00 0.00 -2.04 0.00 0.00 64.34 61.46 2wni n VAL 375 Cb 0.09 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 2wni n VAL 375 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wni n GLY 376 N 0.99 0.41 3.59 7.63 0.00 -0.62 -5.00 105.19 112.19 2wni n GLY 376 Ca 0.14 -2.23 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 2wni n GLY 376 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wni s THR 377 N -0.43 4.90 -0.20 2.61 2.01 -1.26 -1.97 115.64 121.30 2wni s THR 377 Ca 0.00 0.85 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 2wni s THR 377 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.45 2wni s THR 377 CO 0.00 -0.20 -0.03 -0.76 -0.69 0.00 0.00 174.62 172.94 2wni s LEU 378 N 2.70 3.07 -0.08 4.42 1.02 -0.07 -4.39 118.68 125.35 2wni s LEU 378 Ca 0.26 -0.28 -0.00 0.00 0.02 0.00 0.00 54.13 54.13 2wni s LEU 378 Cb -0.15 -1.77 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 2wni s LEU 378 CO 0.13 0.05 -0.04 0.00 0.02 0.00 0.00 176.35 176.51 2wni n PRO 380 N 2.21 1.24 0.07 0.00 -0.02 -1.26 0.57 135.00 137.80 2wni n PRO 380 Ca -0.18 0.43 -0.12 0.00 -2.02 0.00 0.00 63.50 61.61 2wni n PRO 380 Cb 0.53 -1.78 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 2wni n PRO 380 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wni h PHE 381 N 1.95 -0.20 -0.21 6.00 3.57 -1.68 -1.97 116.94 124.41 2wni h PHE 381 Ca -0.39 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.10 2wni h PHE 381 Cb 1.35 0.07 -0.01 0.00 2.79 0.00 0.00 35.95 40.14 2wni h PHE 381 CO 0.47 0.22 0.11 0.37 -2.23 0.00 0.00 178.31 177.26 2wni h GLN 382 N -0.72 0.29 -0.23 1.11 5.75 -1.88 0.97 115.11 120.40 2wni h GLN 382 Ca -0.02 -0.03 0.01 0.00 -0.15 0.00 0.00 58.65 58.45 2wni h GLN 382 Cb 0.51 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.99 2wni h GLN 382 CO 0.04 0.27 0.15 0.00 -2.65 0.00 0.00 178.83 176.64 2wni h ALA 383 N 1.00 1.85 -0.00 3.38 0.00 -1.93 -0.51 119.26 123.04 2wni h ALA 383 Ca 0.07 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wni h ALA 383 Cb 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wni h ALA 383 CO -0.01 0.13 -0.00 0.00 0.00 0.00 0.00 179.25 179.37 2wni h ALA 384 N 1.86 0.00 -0.39 0.00 0.00 -0.45 -0.69 119.26 119.60 2wni h ALA 384 Ca 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2wni h ALA 384 Cb -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2wni h ALA 384 CO -0.02 -0.22 0.18 0.82 0.00 0.00 0.00 179.25 180.01 2wni h ILE 385 N -0.53 0.95 -0.23 0.00 1.08 -0.29 0.26 117.51 118.75 2wni h ILE 385 Ca 0.00 -0.13 0.04 0.00 -0.39 0.00 0.00 64.86 64.39 2wni h ILE 385 Cb 0.54 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 34.81 2wni h ILE 385 CO 0.00 0.07 -0.04 0.74 -0.69 0.00 0.00 178.15 178.23 2wni h THR 386 N 0.37 0.79 -0.63 -0.27 2.02 -1.14 -1.31 112.91 112.74 2wni h THR 386 Ca 0.17 -0.01 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 2wni h THR 386 Cb 0.10 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.24 2wni h THR 386 CO -0.13 0.00 0.18 0.00 0.37 0.00 0.00 175.52 175.95 2wni h ALA 387 N 1.22 0.82 0.00 6.16 0.00 0.21 -2.20 119.26 125.48 2wni h ALA 387 Ca 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2wni h ALA 387 Cb 0.16 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wni h ALA 387 CO -0.22 0.50 -0.06 -0.07 0.00 0.00 0.00 179.25 179.41 2wni h LEU 388 N 0.90 0.00 0.00 0.00 3.38 -0.30 -3.23 115.31 116.06 2wni h LEU 388 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wni h LEU 388 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wni h LEU 388 CO -0.00 0.06 -1.50 0.61 0.09 0.00 0.00 178.44 177.69 2wni n GLY 389 N -0.23 -1.07 0.46 0.83 0.00 -0.51 -4.21 105.19 100.45 2wni n GLY 389 Ca -0.00 -0.50 0.36 0.00 0.00 0.00 0.00 46.02 45.88 2wni n GLY 389 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wni h GLN 390 N 0.00 0.09 -0.03 1.61 4.15 -1.43 -0.98 115.11 118.52 2wni h GLN 390 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2wni h GLN 390 Cb 0.82 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.49 2wni h GLN 390 CO 0.00 0.06 -0.03 0.54 -1.93 0.00 0.00 178.83 177.47 2wni n ARG 391 N -4.72 2.18 -1.83 1.69 1.74 -1.26 -4.95 116.66 109.50 2wni n ARG 391 Ca 0.37 -1.76 -0.41 0.00 -0.77 0.00 0.00 57.85 55.28 2wni n ARG 391 Cb 1.41 -1.46 -0.00 0.00 -1.02 0.00 0.00 32.46 31.38 2wni n ARG 391 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wni s ILE 392 N -2.03 2.12 -0.45 0.55 1.01 -0.38 -4.87 121.20 117.14 2wni s ILE 392 Ca 0.28 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 2wni s ILE 392 Cb 0.20 -3.07 0.05 0.00 0.01 0.00 0.00 42.46 39.64 2wni s ILE 392 CO 0.32 0.03 0.45 -0.62 0.00 0.00 0.00 174.94 175.12 2wni s ASP 393 N -0.15 6.18 0.20 3.58 2.15 -1.26 -4.96 116.67 122.39 2wni s ASP 393 Ca 0.53 -0.95 -0.13 0.00 0.43 0.00 0.00 52.55 52.43 2wni s ASP 393 Cb -0.46 -2.22 0.22 0.00 -0.30 0.00 0.00 42.92 40.16 2wni s ASP 393 CO 0.62 -0.66 1.68 0.03 -0.17 0.00 0.00 175.17 176.67 2wni h ARG 394 N 8.79 0.12 0.00 4.34 2.47 -1.94 0.18 114.38 128.33 2wni h ARG 394 Ca -0.27 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.44 2wni h ARG 394 Cb 1.11 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2wni h ARG 394 CO 0.85 0.08 0.00 -1.35 0.56 0.00 0.00 179.97 180.11 2wni h PRO 395 N 0.12 0.00 -0.51 0.04 0.11 -1.96 0.13 132.00 129.93 2wni h PRO 395 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2wni h PRO 395 Cb 0.42 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.53 2wni h PRO 395 CO -0.45 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.77 2wni n SER 396 N -2.61 3.27 -3.19 -2.05 7.64 0.61 -4.59 113.62 112.69 2wni n SER 396 Ca -0.01 -1.97 -0.28 0.00 1.01 0.00 0.00 58.87 57.62 2wni n SER 396 Cb 0.10 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 2wni n SER 396 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wni n ALA 397 N 1.31 4.50 -1.74 -0.43 0.00 0.45 -3.14 120.51 121.47 2wni n ALA 397 Ca 0.20 -4.74 -0.36 0.00 0.00 0.00 0.00 53.44 48.55 2wni n ALA 397 Cb 0.54 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 19.12 2wni n ALA 397 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wni s PRO 398 N -3.08 3.03 0.44 0.00 0.04 -1.26 -4.90 135.00 129.27 2wni s PRO 398 Ca 0.44 1.77 -0.24 0.00 0.04 0.00 0.00 61.00 63.01 2wni s PRO 398 Cb 0.22 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.74 2wni s PRO 398 CO -0.08 -1.15 1.27 0.00 0.04 0.00 0.00 177.00 177.09 2wni s ALA 399 N -1.66 3.11 0.06 8.56 0.00 -1.26 -4.91 121.76 125.65 2wni s ALA 399 Ca 0.76 1.16 0.08 0.00 0.00 0.00 0.00 51.96 53.97 2wni s ALA 399 Cb -0.29 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 2wni s ALA 399 CO 0.32 -0.87 -0.22 0.14 0.00 0.00 0.00 175.76 175.13 2wni s VAL 400 N -1.35 1.80 -0.38 0.00 -7.23 -1.26 -5.07 120.40 106.92 2wni s VAL 400 Ca 0.61 -1.32 -0.29 0.00 -1.81 0.00 0.00 61.98 59.17 2wni s VAL 400 Cb -0.36 -1.58 0.00 0.00 0.56 0.00 0.00 36.38 35.01 2wni s VAL 400 CO 0.45 0.19 1.50 0.00 -0.31 0.00 0.00 175.10 176.93 2wni s ALA 401 N -0.87 3.03 0.39 1.32 0.00 -1.26 -4.86 121.76 119.51 2wni s ALA 401 Ca 0.09 -0.02 0.07 0.00 0.00 0.00 0.00 51.96 52.10 2wni s ALA 401 Cb -0.09 -3.94 0.80 0.00 0.00 0.00 0.00 23.12 19.88 2wni s ALA 401 CO 0.02 -2.39 1.98 1.98 0.00 0.00 0.00 175.76 177.36 2wni h MET 402 N 11.12 0.44 -6.59 0.00 4.05 -1.98 -3.37 114.93 118.60 2wni h MET 402 Ca -0.29 -0.06 -0.57 0.00 -0.28 0.00 0.00 59.70 58.50 2wni h MET 402 Cb 1.12 -0.08 -0.08 0.00 -0.80 0.00 0.00 31.60 31.76 2wni h MET 402 CO 1.07 0.39 0.88 0.08 0.23 0.00 0.00 176.91 179.55 2wni s VAL 403 N -5.16 4.21 0.99 -5.77 1.01 -1.26 -4.97 120.40 109.45 2wni s VAL 403 Ca -0.07 1.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.87 2wni s VAL 403 Cb 0.16 -4.60 0.19 0.00 0.00 0.00 0.00 36.38 32.13 2wni s VAL 403 CO 0.74 -1.05 1.10 -0.76 0.00 0.00 0.00 175.10 175.13 2wni s LEU 404 N 4.43 2.19 0.00 3.92 1.43 -1.26 -5.12 118.68 124.27 2wni s LEU 404 Ca 0.45 1.95 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 2wni s LEU 404 Cb -0.08 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 41.96 2wni s LEU 404 CO 0.30 -3.41 0.00 -2.65 0.23 0.00 0.00 176.35 170.81 2wni n PRO 405 N -4.42 3.12 0.00 1.29 -0.02 -1.26 -5.09 135.00 128.62 2wni n PRO 405 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2wni n PRO 405 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2wni n PRO 405 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11