#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wni s TRP 14 N 0.00 1.73 -0.10 -0.67 0.52 -1.26 -1.84 118.94 117.32 2wni s TRP 14 Ca 0.00 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 55.79 2wni s TRP 14 Cb 0.00 -1.05 0.00 0.00 -1.15 0.00 0.00 33.47 31.27 2wni s TRP 14 CO 0.00 0.06 -0.22 1.14 0.02 0.00 0.00 176.95 177.95 2wni s GLN 15 N -1.02 2.83 -0.03 4.98 -2.07 -0.73 -4.94 119.66 118.69 2wni s GLN 15 Ca 0.07 -0.80 -0.29 0.00 -1.82 0.00 0.00 55.36 52.52 2wni s GLN 15 Cb -0.08 -2.18 -0.03 0.00 -1.09 0.00 0.00 33.01 29.63 2wni s GLN 15 CO 0.01 0.12 0.93 -1.17 -1.32 0.00 0.00 175.29 173.86 2wni s LEU 16 N 0.48 4.33 -0.18 2.60 2.96 -1.26 -1.62 118.68 125.99 2wni s LEU 16 Ca -0.16 1.54 0.13 0.00 -0.22 0.00 0.00 54.13 55.42 2wni s LEU 16 Cb -0.17 -3.47 -0.20 0.00 0.50 0.00 0.00 46.19 42.85 2wni s LEU 16 CO 0.06 -0.27 0.01 -0.62 -1.32 0.00 0.00 176.35 174.22 2wni n GLU 17 N 4.10 1.04 -3.58 1.98 1.02 0.67 -4.60 120.64 121.27 2wni n GLU 17 Ca 0.05 0.02 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 2wni n GLU 17 Cb 0.51 -1.45 -0.06 0.00 -0.02 0.00 0.00 31.44 30.42 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 -2.43 0.46 -0.14 3.49 2.47 -1.17 -4.84 119.74 117.58 2wni s LYS 18 Ca -0.13 0.92 -0.03 0.00 -1.56 0.00 0.00 55.97 55.17 2wni s LYS 18 Cb 0.06 0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.70 2wni s LYS 18 CO 0.68 -0.12 -0.02 0.08 0.16 0.00 0.00 175.35 176.13 2wni s VAL 19 N 1.91 4.05 -0.11 4.02 1.01 -0.06 -0.63 120.40 130.59 2wni s VAL 19 Ca -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.63 2wni s VAL 19 Cb -0.06 -2.76 0.01 0.00 0.00 0.00 0.00 36.38 33.57 2wni s VAL 19 CO -0.17 0.52 -0.21 -0.69 0.00 0.00 0.00 175.10 174.54 2wni s VAL 20 N 0.02 1.92 -0.01 2.92 1.01 -0.16 -0.01 120.40 126.09 2wni s VAL 20 Ca 0.01 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.09 2wni s VAL 20 Cb -0.13 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.57 2wni s VAL 20 CO 0.02 0.53 -0.05 -0.70 0.00 0.00 0.00 175.10 174.89 2wni s GLU 21 N 0.59 0.51 -0.20 2.72 2.12 -0.43 0.59 118.70 124.60 2wni s GLU 21 Ca -0.14 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.02 2wni s GLU 21 Cb -0.17 -0.51 0.03 0.00 0.26 0.00 0.00 34.13 33.75 2wni s GLU 21 CO 0.04 0.09 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.53 2wni s LEU 22 N 0.04 2.40 0.16 2.70 2.96 0.31 -0.03 118.68 127.21 2wni s LEU 22 Ca 0.00 -0.85 0.06 0.00 -0.22 0.00 0.00 54.13 53.12 2wni s LEU 22 Cb -0.04 -1.40 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 2wni s LEU 22 CO -0.00 -0.08 0.04 -0.55 -1.32 0.00 0.00 176.35 174.44 2wni s SER 23 N 1.30 5.06 0.41 3.68 0.15 0.14 -0.81 113.70 123.62 2wni s SER 23 Ca 0.01 -0.27 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 2wni s SER 23 Cb -0.15 -1.18 -0.06 0.00 -1.71 0.00 0.00 66.02 62.91 2wni s SER 23 CO -0.10 0.10 0.78 -0.60 1.20 0.00 0.00 173.24 174.62 2wni s ARG 24 N -2.89 3.77 0.94 5.44 3.52 -0.00 -1.22 118.95 128.51 2wni s ARG 24 Ca 0.28 0.47 -0.12 0.00 -0.13 0.00 0.00 55.73 56.23 2wni s ARG 24 Cb -0.10 -2.38 0.07 0.00 -1.56 0.00 0.00 34.95 30.98 2wni s ARG 24 CO 0.20 -0.06 0.64 0.00 -0.81 0.00 0.00 175.30 175.27 2wni n ALA 25 N -1.37 -2.04 -1.26 6.12 0.00 -0.76 -3.14 120.51 118.05 2wni n ALA 25 Ca 0.02 -0.59 -0.02 0.00 0.00 0.00 0.00 53.44 52.86 2wni n ALA 25 Cb 0.54 -1.92 0.01 0.00 0.00 0.00 0.00 19.45 18.08 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 1.11 -0.85 3.71 0.00 0.00 -1.26 -0.23 105.19 107.67 2wni n GLY 26 Ca 0.08 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.96 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 -1.03 3.10 0.35 -0.61 1.01 -1.26 -4.66 121.20 118.10 2wni s ILE 27 Ca 0.06 0.76 0.09 0.00 0.00 0.00 0.00 60.65 61.56 2wni s ILE 27 Cb -0.00 -3.49 -0.07 0.00 0.01 0.00 0.00 42.46 38.92 2wni s ILE 27 CO 0.04 0.05 -0.07 0.00 0.00 0.00 0.00 174.94 174.96 2wni s ARG 28 N 1.33 1.85 1.01 2.79 1.70 -1.26 -1.05 118.95 125.32 2wni s ARG 28 Ca 0.67 -1.95 -0.17 0.00 -0.47 0.00 0.00 55.73 53.80 2wni s ARG 28 Cb -0.39 -1.71 0.25 0.00 -0.57 0.00 0.00 34.95 32.53 2wni s ARG 28 CO 0.30 0.11 0.97 -2.30 -1.08 0.00 0.00 175.30 173.31 2wni n PRO 29 N -0.83 -2.50 -1.35 3.89 -0.02 -1.25 -4.83 135.00 128.12 2wni n PRO 29 Ca -0.05 -1.55 -0.35 0.00 -2.02 0.00 0.00 63.50 59.53 2wni n PRO 29 Cb 0.64 -1.36 0.10 0.00 -0.02 0.00 0.00 33.50 32.87 2wni n PRO 29 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wni n PRO 30 N -4.17 0.54 -1.24 0.52 -0.04 -1.26 -3.77 135.00 125.57 2wni n PRO 30 Ca 0.13 0.25 -0.29 0.00 -0.04 0.00 0.00 63.50 63.55 2wni n PRO 30 Cb 0.50 -2.42 0.16 0.00 -0.04 0.00 0.00 33.50 31.69 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 -1.83 2.26 0.17 0.52 -4.23 -1.26 -2.25 115.64 109.02 2wni s THR 31 Ca 0.76 0.09 -0.13 0.00 -1.18 0.00 0.00 61.69 61.23 2wni s THR 31 Cb -0.33 -2.62 0.07 0.00 1.34 0.00 0.00 72.50 70.96 2wni s THR 31 CO 0.47 -0.11 1.78 0.00 -0.54 0.00 0.00 174.62 176.22 2wni h ALA 32 N -1.73 0.73 -0.17 3.99 0.00 -1.94 -1.20 119.26 118.93 2wni h ALA 32 Ca -0.52 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.33 2wni h ALA 32 Cb 1.32 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 2wni h ALA 32 CO 0.57 0.25 -0.38 0.78 0.00 0.00 0.00 179.25 180.48 2wni h GLY 33 N 0.76 -0.57 -0.07 0.00 0.00 -1.99 -1.39 103.07 99.80 2wni h GLY 33 Ca 0.20 0.47 0.14 0.00 0.00 0.00 0.00 47.33 48.14 2wni h GLY 33 CO -0.03 -0.22 0.07 3.43 0.00 0.00 0.00 176.54 179.79 2wni h ASN 34 N -0.43 -0.17 0.02 0.19 -0.26 -1.75 -1.52 115.58 111.66 2wni h ASN 34 Ca 0.10 0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 2wni h ASN 34 Cb 0.59 0.25 0.00 0.00 -1.06 0.00 0.00 38.32 38.10 2wni h ASN 34 CO -0.41 -0.09 -0.01 -0.09 -1.06 0.00 0.00 177.43 175.77 2wni h ARG 35 N 0.17 -0.03 -0.52 0.81 2.43 -0.98 0.39 114.38 116.66 2wni h ARG 35 Ca 0.36 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.64 2wni h ARG 35 Cb 0.60 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.05 2wni h ARG 35 CO -0.53 0.16 -0.14 1.49 -1.51 0.00 0.00 179.97 179.44 2wni h GLU 36 N -0.22 -0.02 -0.15 0.20 4.57 -0.94 -1.04 114.58 116.99 2wni h GLU 36 Ca -0.00 0.00 -0.20 0.00 -1.18 0.00 0.00 59.36 57.97 2wni h GLU 36 Cb 0.21 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 2wni h GLU 36 CO 0.01 -0.01 -0.72 0.00 -1.18 0.00 0.00 179.01 177.10 2wni h ALA 37 N 1.48 0.44 -0.02 2.92 0.00 -0.48 -2.42 119.26 121.18 2wni h ALA 37 Ca 0.25 -0.59 -0.14 0.00 0.00 0.00 0.00 54.91 54.44 2wni h ALA 37 Cb 0.40 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wni h ALA 37 CO -0.54 0.71 -0.62 -0.84 0.00 0.00 0.00 179.25 177.95 2wni h ILE 38 N 0.47 1.43 -0.20 0.00 3.07 0.07 -1.35 117.51 121.00 2wni h ILE 38 Ca -0.03 -2.08 -0.14 0.00 1.55 0.00 0.00 64.86 64.15 2wni h ILE 38 Cb 1.33 2.10 -0.01 0.00 -0.27 0.00 0.00 36.82 39.97 2wni h ILE 38 CO 0.14 0.60 -0.45 -0.33 -1.05 0.00 0.00 178.15 177.06 2wni h GLU 39 N 0.06 0.50 0.22 0.16 5.08 -1.17 -1.40 114.58 118.02 2wni h GLU 39 Ca -0.01 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2wni h GLU 39 Cb 1.11 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2wni h GLU 39 CO 0.09 0.85 -0.10 0.00 -1.00 0.00 0.00 179.01 178.84 2wni h ALA 40 N 1.11 -0.29 -0.48 3.43 0.00 -1.36 0.10 119.26 121.78 2wni h ALA 40 Ca 0.03 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.88 2wni h ALA 40 Cb 0.95 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2wni h ALA 40 CO 0.08 -0.47 0.34 0.00 0.00 0.00 0.00 179.25 179.21 2wni h ALA 41 N -0.02 2.39 -0.01 0.00 0.00 -1.17 -2.63 119.26 117.82 2wni h ALA 41 Ca -0.03 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wni h ALA 41 Cb 0.48 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2wni h ALA 41 CO 0.05 -0.53 -0.03 0.25 0.00 0.00 0.00 179.25 178.99 2wni n THR 42 N -4.41 0.00 -2.64 0.00 -2.24 -0.54 -3.83 114.28 100.62 2wni n THR 42 Ca 0.08 -0.49 -0.20 0.00 -2.27 0.00 0.00 64.05 61.18 2wni n THR 42 Cb 0.53 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 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 0.70 -0.51 3.33 3.38 0.00 0.33 -4.71 105.19 107.72 2wni n GLY 43 Ca 0.07 0.04 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -5.28 0.76 0.55 1.61 1.70 -1.04 -5.04 118.95 112.20 2wni s ARG 44 Ca 0.11 0.04 -0.19 0.00 -0.47 0.00 0.00 55.73 55.21 2wni s ARG 44 Cb -0.05 0.35 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 2wni s ARG 44 CO 0.13 -0.21 1.12 -1.25 -1.08 0.00 0.00 175.30 174.02 2wni s PRO 45 N -1.09 3.32 0.23 3.89 0.04 -1.26 -4.46 135.00 135.67 2wni s PRO 45 Ca -0.11 1.57 0.06 0.00 0.04 0.00 0.00 61.00 62.56 2wni s PRO 45 Cb -0.04 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2wni s PRO 45 CO 0.05 -0.87 0.24 -1.58 0.04 0.00 0.00 177.00 174.88 2wni s TRP 46 N -1.85 3.22 0.15 0.56 0.52 -1.26 -5.05 118.94 115.22 2wni s TRP 46 Ca 0.72 -0.06 -0.34 0.00 0.02 0.00 0.00 56.10 56.44 2wni s TRP 46 Cb -0.23 -1.47 -0.16 0.00 -1.15 0.00 0.00 33.47 30.46 2wni s TRP 46 CO 0.28 0.50 1.17 2.41 0.02 0.00 0.00 176.95 181.34 2wni n THR 47 N -1.10 0.69 -2.95 2.01 -1.04 -1.26 -4.96 114.28 105.68 2wni n THR 47 Ca -0.08 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.34 2wni n THR 47 Cb 0.57 -0.76 -0.05 0.00 -1.82 0.00 0.00 70.33 68.27 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 -0.20 4.23 0.87 -2.82 0.41 -1.26 -5.01 118.70 114.92 2wni s GLU 48 Ca 0.76 0.88 -0.11 0.00 -0.41 0.00 0.00 54.97 56.09 2wni s GLU 48 Cb -0.90 -3.61 0.16 0.00 -1.78 0.00 0.00 34.13 28.01 2wni s GLU 48 CO 0.51 -0.38 1.21 -1.58 -0.49 0.00 0.00 175.26 174.53 2wni s TRP 49 N 2.37 1.80 -0.02 1.61 0.52 -1.26 -4.93 118.94 119.03 2wni s TRP 49 Ca 0.34 0.22 0.31 0.00 0.02 0.00 0.00 56.10 56.99 2wni s TRP 49 Cb -0.16 -3.73 1.11 0.00 -1.15 0.00 0.00 33.47 29.53 2wni s TRP 49 CO 0.10 -2.26 1.89 1.15 0.02 0.00 0.00 176.95 177.85 2wni h THR 50 N -1.25 0.03 -2.87 2.01 2.02 -2.04 -3.42 112.91 107.38 2wni h THR 50 Ca -0.43 -0.66 -0.67 0.00 0.77 0.00 0.00 66.41 65.42 2wni h THR 50 Cb 1.26 1.64 -0.10 0.00 -1.74 0.00 0.00 68.15 69.21 2wni h THR 50 CO 0.42 0.01 -0.53 -0.89 0.37 0.00 0.00 175.52 174.91 2wni s THR 51 N -3.56 5.13 0.50 3.16 2.01 -1.26 -5.07 115.64 116.55 2wni s THR 51 Ca 0.02 0.07 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 2wni s THR 51 Cb 0.08 -3.22 -0.07 0.00 0.01 0.00 0.00 72.50 69.30 2wni s THR 51 CO 0.58 0.61 1.18 1.41 -0.69 0.00 0.00 174.62 177.71 2wni n HIS 52 N 2.07 1.72 -1.59 4.92 -0.00 -1.26 -4.83 115.22 116.25 2wni n HIS 52 Ca -0.19 0.47 -0.49 0.00 -0.00 0.00 0.00 57.72 57.51 2wni n HIS 52 Cb 0.54 -2.29 -0.04 0.00 -0.00 0.00 0.00 29.99 28.20 2wni n HIS 52 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2wni n ASP 53 N -0.32 1.63 0.00 0.41 8.00 -1.26 -1.44 116.55 123.56 2wni n ASP 53 Ca 0.10 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.73 2wni n ASP 53 Cb 0.43 -1.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.29 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 2.22 2.48 3.97 0.44 0.00 -0.96 -4.66 105.19 108.68 2wni n GLY 54 Ca 0.16 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 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 2.84 -0.00 1.61 2.02 -0.52 -4.32 118.70 120.01 2wni s GLU 55 Ca 0.00 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.92 2wni s GLU 55 Cb 0.00 -2.60 -0.04 0.00 0.10 0.00 0.00 34.13 31.59 2wni s GLU 55 CO 0.00 -0.39 0.90 -1.17 0.02 0.00 0.00 175.26 174.62 2wni s LEU 56 N -4.55 4.37 0.66 1.80 2.96 -1.26 -3.75 118.68 118.92 2wni s LEU 56 Ca 0.52 1.54 -0.11 0.00 -0.22 0.00 0.00 54.13 55.86 2wni s LEU 56 Cb -0.10 -3.43 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 2wni s LEU 56 CO 0.36 -0.19 1.05 0.42 -1.32 0.00 0.00 176.35 176.67 2wni s THR 57 N 0.81 4.26 0.17 3.68 -4.23 -0.21 -4.87 115.64 115.25 2wni s THR 57 Ca 0.47 0.73 -0.14 0.00 -1.18 0.00 0.00 61.69 61.57 2wni s THR 57 Cb -0.20 -3.64 0.05 0.00 1.34 0.00 0.00 72.50 70.05 2wni s THR 57 CO 0.25 -0.96 1.82 1.23 -0.54 0.00 0.00 174.62 176.42 2wni h GLY 58 N -0.52 0.69 0.56 3.99 0.00 -1.96 -0.32 103.07 105.51 2wni h GLY 58 Ca -0.44 -0.23 0.08 0.00 0.00 0.00 0.00 47.33 46.74 2wni h GLY 58 CO 0.61 0.21 0.41 0.84 0.00 0.00 0.00 176.54 178.60 2wni h HIS 59 N 0.61 0.74 -0.72 5.60 -0.00 -1.93 0.58 115.15 120.03 2wni h HIS 59 Ca 0.19 0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.53 2wni h HIS 59 Cb -0.01 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 27.15 2wni h HIS 59 CO -0.06 0.31 0.23 0.78 -0.00 0.00 0.00 177.93 179.19 2wni h GLY 60 N 0.71 1.19 1.01 5.26 0.00 -1.54 0.44 103.07 110.14 2wni h GLY 60 Ca 0.35 -0.70 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 2wni h GLY 60 CO -0.23 0.66 0.09 -1.82 0.00 0.00 0.00 176.54 175.24 2wni h TYR 61 N 1.05 0.98 -0.54 5.60 5.03 -0.54 -0.66 116.97 127.90 2wni h TYR 61 Ca 0.23 -0.14 -0.05 0.00 2.58 0.00 0.00 58.73 61.36 2wni h TYR 61 Cb 0.30 -0.27 -0.02 0.00 1.55 0.00 0.00 36.73 38.28 2wni h TYR 61 CO 0.02 0.86 0.13 0.00 -1.32 0.00 0.00 178.16 177.86 2wni h ALA 62 N 1.00 1.22 -0.32 1.82 0.00 -0.09 0.19 119.26 123.07 2wni h ALA 62 Ca 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 2wni h ALA 62 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wni h ALA 62 CO 0.01 0.54 0.02 0.00 0.00 0.00 0.00 179.25 179.82 2wni h ALA 63 N 1.35 0.43 -0.95 0.00 0.00 -0.48 -0.35 119.26 119.26 2wni h ALA 63 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wni h ALA 63 Cb 0.29 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 2wni h ALA 63 CO -0.00 0.16 0.58 0.28 0.00 0.00 0.00 179.25 180.26 2wni h VAL 64 N 0.36 1.26 -0.13 0.00 2.07 -0.72 -1.49 116.25 117.59 2wni h VAL 64 Ca 0.09 -0.56 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2wni h VAL 64 Cb 0.40 -0.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.03 2wni h VAL 64 CO 0.01 0.27 -0.19 0.58 0.02 0.00 0.00 177.57 178.26 2wni h VAL 65 N 1.31 0.51 -0.62 2.57 2.07 -0.29 0.44 116.25 122.24 2wni h VAL 65 Ca 0.34 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.97 2wni h VAL 65 Cb -0.06 0.51 -0.08 0.00 -1.52 0.00 0.00 31.29 30.13 2wni h VAL 65 CO -0.06 0.00 0.19 0.78 0.02 0.00 0.00 177.57 178.49 2wni h ASN 66 N -0.25 0.12 -0.65 0.57 2.35 -0.09 0.31 115.58 117.95 2wni h ASN 66 Ca 0.10 0.10 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2wni h ASN 66 Cb 0.39 0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.84 2wni h ASN 66 CO -0.28 0.07 0.27 0.50 -1.65 0.00 0.00 177.43 176.34 2wni h LYS 67 N 0.34 0.96 -0.20 0.81 3.64 -0.71 -3.07 116.57 118.34 2wni h LYS 67 Ca 0.32 -0.16 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2wni h LYS 67 Cb 0.45 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2wni h LYS 67 CO -0.36 0.79 -0.28 0.78 -2.27 0.00 0.00 179.45 178.11 2wni h GLY 68 N 0.90 0.42 0.95 5.01 0.00 0.16 -0.57 103.07 109.95 2wni h GLY 68 Ca 0.22 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2wni h GLY 68 CO -0.02 0.32 -0.16 -0.09 0.00 0.00 0.00 176.54 176.59 2wni h ARG 69 N 0.34 -0.40 -0.39 4.80 2.43 -0.51 -0.33 114.38 120.32 2wni h ARG 69 Ca 0.05 0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 2wni h ARG 69 Cb 0.68 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.30 2wni h ARG 69 CO 0.05 -0.27 -0.09 1.49 -1.51 0.00 0.00 179.97 179.64 2wni h GLU 70 N -0.42 0.68 -0.47 0.20 4.57 -1.42 -1.79 114.58 115.94 2wni h GLU 70 Ca -0.03 -0.20 -0.06 0.00 -1.18 0.00 0.00 59.36 57.89 2wni h GLU 70 Cb 0.34 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2wni h GLU 70 CO 0.04 0.76 0.07 1.49 -1.18 0.00 0.00 179.01 180.19 2wni h GLU 71 N 0.62 0.77 -0.62 1.92 4.81 -0.79 0.29 114.58 121.58 2wni h GLU 71 Ca 0.11 -0.21 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2wni h GLU 71 Cb 0.52 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 2wni h GLU 71 CO 0.03 0.79 0.39 0.78 -0.73 0.00 0.00 179.01 180.27 2wni h GLY 72 N 0.64 0.89 1.05 1.92 0.00 -0.88 0.18 103.07 106.87 2wni h GLY 72 Ca 0.14 -0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.05 2wni h GLY 72 CO 0.01 0.25 -0.24 1.46 0.00 0.00 0.00 176.54 178.02 2wni h GLN 73 N 0.76 0.86 -0.31 4.80 4.20 -0.78 -0.23 115.11 124.42 2wni h GLN 73 Ca 0.25 -0.40 0.01 0.00 0.06 0.00 0.00 58.65 58.57 2wni h GLN 73 Cb 0.01 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2wni h GLN 73 CO -0.10 1.04 0.19 1.25 -0.67 0.00 0.00 178.83 180.54 2wni h HIS 74 N 0.67 0.35 0.00 2.96 2.76 -0.11 0.11 115.15 121.89 2wni h HIS 74 Ca 0.08 0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.23 2wni h HIS 74 Cb 0.81 -0.11 -0.00 0.00 1.55 0.00 0.00 27.41 29.66 2wni h HIS 74 CO 0.06 0.21 -0.15 1.88 -1.30 0.00 0.00 177.93 178.63 2wni h TYR 75 N 0.38 0.00 -0.15 5.26 0.05 -0.47 -1.49 116.97 120.55 2wni h TYR 75 Ca 0.12 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 2wni h TYR 75 Cb -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.72 2wni h TYR 75 CO -0.07 0.13 -0.18 0.00 -1.05 0.00 0.00 178.16 176.99 2wni h ARG 76 N 0.00 0.39 -0.10 4.88 3.08 -0.89 -0.98 114.38 120.75 2wni h ARG 76 Ca -0.00 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.83 2wni h ARG 76 Cb 1.10 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.16 2wni h ARG 76 CO 0.02 0.78 0.05 0.37 -1.07 0.00 0.00 179.97 180.13 2wni h GLN 77 N 0.01 0.13 -0.19 0.04 -0.00 -0.48 0.17 115.11 114.79 2wni h GLN 77 Ca 0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 2wni h GLN 77 Cb 0.73 -0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.18 2wni h GLN 77 CO 0.04 0.10 0.00 1.28 0.00 0.00 0.00 178.83 180.25 2wni n LEU 78 N -4.51 1.47 0.00 -2.39 4.77 -0.59 -4.92 117.00 110.84 2wni n LEU 78 Ca -0.02 -0.66 0.00 0.00 -0.03 0.00 0.00 56.01 55.31 2wni n LEU 78 Cb 0.09 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 2wni n LEU 78 CO 0.34 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 2wni n GLY 79 N 1.05 0.35 0.12 -0.72 0.00 0.60 -4.49 105.19 102.09 2wni n GLY 79 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 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 0.45 -9.31 0.99 5.85 -1.40 -3.44 115.31 108.44 2wni h LEU 80 Ca 0.00 -0.43 -0.66 0.00 0.84 0.00 0.00 57.88 57.62 2wni h LEU 80 Cb 0.33 -0.14 -0.15 0.00 0.37 0.00 0.00 40.66 41.07 2wni h LEU 80 CO 0.00 1.29 -0.69 -0.76 -0.34 0.00 0.00 178.44 177.95 2wni s LEU 81 N -7.35 3.29 0.77 2.25 1.43 -0.98 -4.85 118.68 113.23 2wni s LEU 81 Ca -0.04 -0.17 -0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2wni s LEU 81 Cb 0.08 -1.96 0.05 0.00 0.03 0.00 0.00 46.19 44.39 2wni s LEU 81 CO 0.88 0.23 1.11 -1.10 0.23 0.00 0.00 176.35 177.70 2wni s GLN 82 N -1.83 2.34 0.73 1.70 -1.52 -1.26 -4.48 119.66 115.34 2wni s GLN 82 Ca 0.21 0.47 -0.16 0.00 -1.95 0.00 0.00 55.36 53.92 2wni s GLN 82 Cb -0.11 -1.96 0.03 0.00 -0.22 0.00 0.00 33.01 30.75 2wni s GLN 82 CO 0.12 -1.40 1.24 0.00 -0.25 0.00 0.00 175.29 174.99 2wni n ALA 83 N -3.26 0.54 -0.05 6.09 0.00 -1.26 -4.85 120.51 117.73 2wni n ALA 83 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wni n ALA 83 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2wni n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wni n GLY 84 N 0.76 0.14 3.79 0.00 0.00 -1.26 -4.88 105.19 103.74 2wni n GLY 84 Ca 0.15 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.16 3.33 0.00 0.00 0.04 -1.26 -4.99 135.00 129.96 2wni s PRO 86 Ca 0.51 1.53 0.00 0.00 0.04 0.00 0.00 61.00 63.08 2wni s PRO 86 Cb -0.18 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2wni s PRO 86 CO 0.23 -0.85 0.00 0.25 0.04 0.00 0.00 177.00 176.66 2wni n THR 87 N -1.45 0.00 0.53 1.26 -2.24 -1.26 -4.97 114.28 106.15 2wni n THR 87 Ca 0.11 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.02 2wni n THR 87 Cb 0.51 -1.13 0.37 0.00 -2.10 0.00 0.00 70.33 67.98 2wni n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wni h ALA 88 N -0.12 1.00 0.00 6.98 0.00 -1.97 -2.93 119.26 122.21 2wni h ALA 88 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wni h ALA 88 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2wni h ALA 88 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.18 2wni h GLU 89 N 0.00 0.00 0.24 0.00 5.08 -1.95 -3.36 114.58 114.58 2wni h GLU 89 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wni h GLU 89 Cb 0.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.02 2wni h GLU 89 CO 0.00 0.00 -0.12 0.77 -1.00 0.00 0.00 179.01 178.66 2wni h SER 90 N 0.00 -0.27 -3.99 1.42 0.02 -1.81 -1.17 113.55 107.76 2wni h SER 90 Ca 0.00 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.57 2wni h SER 90 Cb 0.86 0.07 -0.25 0.00 0.14 0.00 0.00 62.40 63.22 2wni h SER 90 CO 0.00 0.23 -0.39 -0.51 -1.14 0.00 0.00 176.83 175.02 2wni s ILE 91 N -3.45 0.01 -0.10 3.27 2.07 -1.25 -1.04 121.20 120.71 2wni s ILE 91 Ca -0.11 -0.08 0.01 0.00 -1.41 0.00 0.00 60.65 59.06 2wni s ILE 91 Cb 0.01 -0.41 0.02 0.00 0.13 0.00 0.00 42.46 42.20 2wni s ILE 91 CO 0.41 -0.04 -0.13 -0.47 -1.91 0.00 0.00 174.94 172.79 2wni s TYR 92 N -0.06 1.81 -0.15 3.50 5.04 -0.76 -4.81 117.35 121.92 2wni s TYR 92 Ca -0.02 -0.85 -0.02 0.00 -2.44 0.00 0.00 57.07 53.74 2wni s TYR 92 Cb -0.02 -1.34 -0.02 0.00 0.35 0.00 0.00 41.96 40.92 2wni s TYR 92 CO 0.01 -0.46 -0.07 0.08 -1.34 0.00 0.00 175.55 173.76 2wni s VAL 93 N 1.09 3.59 -0.14 3.14 1.01 -1.26 -0.91 120.40 126.93 2wni s VAL 93 Ca -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 2wni s VAL 93 Cb -0.14 -2.55 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2wni s VAL 93 CO -0.03 0.50 -0.06 -0.60 0.00 0.00 0.00 175.10 174.92 2wni s ARG 94 N 0.36 1.40 0.03 2.72 3.52 0.91 -1.24 118.95 126.65 2wni s ARG 94 Ca -0.07 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.21 2wni s ARG 94 Cb -0.15 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.42 2wni s ARG 94 CO 0.04 -0.37 -0.09 0.00 -0.81 0.00 0.00 175.30 174.07 2wni s ALA 95 N 1.69 2.93 0.45 6.12 0.00 0.15 -1.26 121.76 131.85 2wni s ALA 95 Ca 0.03 -1.09 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 2wni s ALA 95 Cb -0.14 -1.01 -0.10 0.00 0.00 0.00 0.00 23.12 21.87 2wni s ALA 95 CO -0.08 0.61 0.93 0.45 0.00 0.00 0.00 175.76 177.68 2wni n SER 96 N 1.38 0.86 0.00 0.00 2.88 0.10 -4.40 113.62 114.45 2wni n SER 96 Ca -0.15 0.98 0.12 0.00 -1.33 0.00 0.00 58.87 58.48 2wni n SER 96 Cb 0.52 -1.32 0.70 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.03 0.88 -1.72 -1.46 -0.04 -1.26 -3.80 135.00 127.63 2wni n PRO 97 Ca 0.10 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.20 2wni n PRO 97 Cb 0.41 -1.41 0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -1.83 3.52 0.21 1.53 1.02 -1.26 -4.81 118.68 117.06 2wni s LEU 98 Ca 0.35 2.49 -0.17 0.00 0.02 0.00 0.00 54.13 56.82 2wni s LEU 98 Cb 0.16 -4.61 0.21 0.00 0.02 0.00 0.00 46.19 41.97 2wni s LEU 98 CO 0.27 -1.99 1.59 -0.61 0.02 0.00 0.00 176.35 175.63 2wni h GLN 99 N 0.38 -0.08 -0.39 1.70 -0.00 -1.90 -0.15 115.11 114.67 2wni h GLN 99 Ca -0.50 0.01 -0.04 0.00 -0.00 0.00 0.00 58.65 58.12 2wni h GLN 99 Cb 1.32 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.79 2wni h GLN 99 CO 0.53 -0.05 0.07 0.07 0.00 0.00 0.00 178.83 179.44 2wni h ARG 100 N -0.08 0.59 0.00 1.69 0.11 -1.91 -0.54 114.38 114.23 2wni h ARG 100 Ca 0.29 -0.11 -0.18 0.00 0.10 0.00 0.00 59.98 60.08 2wni h ARG 100 Cb 0.56 -0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.52 2wni h ARG 100 CO -0.76 0.56 -1.00 1.79 0.10 0.00 0.00 179.97 180.66 2wni h THR 101 N 0.57 1.15 -0.34 0.08 1.35 -1.70 -0.80 112.91 113.22 2wni h THR 101 Ca 0.13 -2.74 -0.07 0.00 -0.55 0.00 0.00 66.41 63.18 2wni h THR 101 Cb 0.26 2.54 -0.01 0.00 -1.73 0.00 0.00 68.15 69.21 2wni h THR 101 CO 0.00 0.66 -0.05 0.03 -0.25 0.00 0.00 175.52 175.91 2wni h ARG 102 N 0.00 0.63 -0.47 4.72 3.08 -0.47 -1.16 114.38 120.71 2wni h ARG 102 Ca -0.07 -0.23 -0.06 0.00 0.07 0.00 0.00 59.98 59.69 2wni h ARG 102 Cb 1.66 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 2wni h ARG 102 CO 0.09 0.78 0.03 0.00 -1.07 0.00 0.00 179.97 179.80 2wni h ALA 103 N 0.83 1.17 -0.45 0.04 0.00 -1.07 -0.60 119.26 119.17 2wni h ALA 103 Ca 0.09 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 2wni h ALA 103 Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2wni h ALA 103 CO 0.03 0.54 -0.21 1.15 0.00 0.00 0.00 179.25 180.76 2wni h THR 104 N 0.72 1.27 -0.12 0.00 2.02 -0.83 0.24 112.91 116.20 2wni h THR 104 Ca 0.15 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 65.97 2wni h THR 104 Cb 0.40 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 2wni h THR 104 CO 0.01 0.47 0.08 0.00 0.37 0.00 0.00 175.52 176.45 2wni h ALA 105 N 0.95 0.16 -0.86 6.16 0.00 -0.45 -0.28 119.26 124.94 2wni h ALA 105 Ca 0.11 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.09 2wni h ALA 105 Cb 0.77 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2wni h ALA 105 CO 0.06 -0.35 0.56 1.96 0.00 0.00 0.00 179.25 181.47 2wni h GLN 106 N 0.16 0.84 -0.49 0.00 4.20 -0.52 -2.07 115.11 117.23 2wni h GLN 106 Ca 0.05 -0.05 -0.06 0.00 0.06 0.00 0.00 58.65 58.64 2wni h GLN 106 Cb -0.01 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 2wni h GLN 106 CO -0.01 0.55 0.06 0.00 -0.67 0.00 0.00 178.83 178.77 2wni h ALA 107 N 1.56 0.66 0.10 3.87 0.00 0.29 0.29 119.26 126.03 2wni h ALA 107 Ca 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wni h ALA 107 Cb 0.37 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wni h ALA 107 CO -0.16 0.41 -0.05 -0.07 0.00 0.00 0.00 179.25 179.38 2wni h LEU 108 N 0.70 -0.12 -0.93 0.00 3.38 -0.38 -1.10 115.31 116.87 2wni h LEU 108 Ca 0.15 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2wni h LEU 108 Cb 0.42 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2wni h LEU 108 CO 0.01 -0.07 -0.51 -0.37 0.09 0.00 0.00 178.44 177.60 2wni h VAL 109 N -0.15 1.28 -0.94 1.22 -1.51 -1.43 0.23 116.25 114.95 2wni h VAL 109 Ca -0.01 -1.79 0.03 0.00 -1.23 0.00 0.00 66.70 63.70 2wni h VAL 109 Cb 0.12 1.98 -0.05 0.00 -2.13 0.00 0.00 31.29 31.21 2wni h VAL 109 CO 0.02 0.50 0.61 -0.78 -1.23 0.00 0.00 177.57 176.69 2wni h ASP 110 N 0.00 1.03 0.14 4.19 3.58 0.42 -0.57 116.42 125.22 2wni h ASP 110 Ca -0.01 -0.01 -0.28 0.00 0.42 0.00 0.00 57.03 57.15 2wni h ASP 110 Cb 0.94 -0.24 0.02 0.00 1.72 0.00 0.00 39.33 41.78 2wni h ASP 110 CO 0.07 0.72 -1.15 1.23 -2.88 0.00 0.00 179.24 177.23 2wni h GLY 111 N 1.21 0.68 2.00 -0.78 0.00 -0.76 -3.29 103.07 102.13 2wni h GLY 111 Ca 0.36 -1.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.32 2wni h GLY 111 CO -0.11 1.17 -0.25 0.00 0.00 0.00 0.00 176.54 177.35 2wni h ALA 112 N 0.40 0.85 -2.01 3.60 0.00 -0.28 -3.22 119.26 118.61 2wni h ALA 112 Ca -0.15 -0.22 -0.55 0.00 0.00 0.00 0.00 54.91 53.98 2wni h ALA 112 Cb 1.81 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 19.17 2wni h ALA 112 CO 0.22 0.31 -1.09 1.19 0.00 0.00 0.00 179.25 179.87 2wni n PHE 113 N -3.18 -0.10 -1.67 0.00 3.72 -0.25 -4.54 117.46 111.44 2wni n PHE 113 Ca 0.03 -3.62 -0.52 0.00 -0.05 0.00 0.00 57.45 53.29 2wni n PHE 113 Cb 0.61 -0.37 -0.06 0.00 -0.94 0.00 0.00 39.48 38.72 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 1.26 1.55 -0.65 -1.08 -0.02 -1.24 -1.22 135.00 133.60 2wni n PRO 114 Ca 0.22 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2wni n PRO 114 Cb 0.54 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 3.68 1.05 0.56 -1.23 0.00 -1.26 -4.89 105.19 103.09 2wni n GLY 115 Ca 0.22 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.35 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 1.16 -0.33 3.71 0.00 0.00 -1.26 -4.83 105.19 103.64 2wni n GLY 117 Ca 0.17 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.66 4.26 0.42 1.61 1.01 -1.26 -5.01 120.40 117.77 2wni s VAL 118 Ca 0.27 1.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.65 2wni s VAL 118 Cb -0.14 -4.04 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 2wni s VAL 118 CO 0.87 0.13 1.00 0.00 0.00 0.00 0.00 175.10 177.10 2wni s ALA 119 N 1.03 3.03 0.35 5.51 0.00 -1.26 -4.92 121.76 125.49 2wni s ALA 119 Ca 0.57 0.56 0.08 0.00 0.00 0.00 0.00 51.96 53.17 2wni s ALA 119 Cb -0.27 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 2wni s ALA 119 CO 0.29 -0.08 0.10 0.96 0.00 0.00 0.00 175.76 177.03 2wni s ILE 120 N -1.91 2.82 0.14 0.00 -5.25 -1.26 -4.77 121.20 110.98 2wni s ILE 120 Ca 0.61 -1.79 0.10 0.00 -0.99 0.00 0.00 60.65 58.58 2wni s ILE 120 Cb -0.16 -2.92 -0.04 0.00 2.95 0.00 0.00 42.46 42.30 2wni s ILE 120 CO 0.20 -0.17 -0.24 -1.00 -1.79 0.00 0.00 174.94 171.94 2wni s HIS 121 N -2.47 2.12 0.14 1.37 3.76 -0.37 -5.02 115.29 114.82 2wni s HIS 121 Ca 0.37 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.72 2wni s HIS 121 Cb -0.01 -1.12 0.03 0.00 1.11 0.00 0.00 32.58 32.60 2wni s HIS 121 CO 0.21 0.34 0.43 1.52 -0.85 0.00 0.00 174.74 176.40 2wni s TYR 122 N -1.34 -0.19 0.44 1.40 1.13 -1.26 -0.67 117.35 116.86 2wni s TYR 122 Ca 0.14 -0.13 -0.23 0.00 -1.41 0.00 0.00 57.07 55.44 2wni s TYR 122 Cb -0.09 0.29 -0.08 0.00 -1.10 0.00 0.00 41.96 40.98 2wni s TYR 122 CO 0.07 -0.75 1.16 0.00 -2.51 0.00 0.00 175.55 173.51 2wni s ALA 123 N -3.82 3.01 0.18 9.51 0.00 -1.26 -4.93 121.76 124.45 2wni s ALA 123 Ca 0.04 0.92 0.35 0.00 0.00 0.00 0.00 51.96 53.28 2wni s ALA 123 Cb 0.01 -3.37 1.57 0.00 0.00 0.00 0.00 23.12 21.32 2wni s ALA 123 CO -0.10 -0.60 2.05 -0.91 0.00 0.00 0.00 175.76 176.19 2wni h ASN 124 N 2.18 0.00 -0.11 0.00 2.35 -1.92 -3.45 115.58 114.64 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 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2wni h ASN 124 CO 0.61 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.00 2wni n GLY 125 N -0.22 0.95 1.05 2.83 0.00 -1.26 -4.98 105.19 103.56 2wni n GLY 125 Ca -0.00 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.50 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 3.25 -3.71 1.61 8.00 -1.26 -4.93 116.55 119.51 2wni n ASP 126 Ca 0.00 -1.97 -0.13 0.00 0.71 0.00 0.00 54.79 53.39 2wni n ASP 126 Cb 0.00 -0.16 -0.14 0.00 -0.02 0.00 0.00 41.12 40.80 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 -1.61 -0.45 -0.14 2.24 0.00 -1.26 -4.85 121.76 115.70 2wni s ALA 127 Ca 0.34 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 2wni s ALA 127 Cb 0.21 -0.71 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 2wni s ALA 127 CO 0.30 -0.34 -0.11 0.34 0.00 0.00 0.00 175.76 175.95 2wni s ASP 128 N 1.64 4.15 0.54 0.00 -1.08 -1.26 -4.90 116.67 115.74 2wni s ASP 128 Ca -0.05 -0.30 0.36 0.00 -0.52 0.00 0.00 52.55 52.04 2wni s ASP 128 Cb -0.11 -1.64 1.82 0.00 -1.46 0.00 0.00 42.92 41.52 2wni s ASP 128 CO -0.08 0.16 2.09 1.55 0.52 0.00 0.00 175.17 179.41 2wni h PRO 129 N 6.78 0.00 0.00 4.34 0.13 -1.99 0.21 132.00 141.46 2wni h PRO 129 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2wni h PRO 129 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2wni h PRO 129 CO 0.57 0.00 -0.13 -0.07 -0.23 0.00 0.00 178.00 178.14 2wni h LEU 130 N 0.00 0.00 0.00 1.56 3.38 -1.94 -3.42 115.31 114.89 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 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 2wni h LEU 130 CO 0.00 0.13 -0.71 0.49 0.09 0.00 0.00 178.44 178.44 2wni n PHE 131 N -3.19 0.00 -2.22 1.13 3.72 0.55 -4.46 117.46 112.99 2wni n PHE 131 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 2wni n PHE 131 Cb 0.48 0.10 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 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 -2.65 4.32 0.19 -1.08 3.00 -0.20 -4.76 117.38 116.21 2wni n GLN 132 Ca 0.00 -3.64 0.07 0.00 -0.01 0.00 0.00 57.00 53.42 2wni n GLN 132 Cb 0.36 -2.71 0.32 0.00 0.00 0.00 0.00 30.24 28.21 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 3.01 0.76 0.00 5.09 1.35 -1.80 -1.78 112.91 119.53 2wni h THR 133 Ca 0.55 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.91 2wni h THR 133 Cb 0.43 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2wni h THR 133 CO 1.50 0.34 0.00 -0.90 -0.25 0.00 0.00 175.52 176.21 2wni n ASP 134 N -3.42 0.00 -1.23 5.36 5.75 -1.26 -2.77 116.55 118.98 2wni n ASP 134 Ca 0.00 -0.39 0.08 0.00 -0.01 0.00 0.00 54.79 54.48 2wni n ASP 134 Cb 0.52 -0.04 0.28 0.00 -1.03 0.00 0.00 41.12 40.85 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 -1.04 2.85 -4.14 0.11 4.76 -0.67 -4.83 118.16 115.21 2wni n LYS 135 Ca 0.10 -2.22 -0.15 0.00 -2.87 0.00 0.00 58.31 53.17 2wni n LYS 135 Cb 0.06 -1.64 -0.14 0.00 -1.84 0.00 0.00 35.03 31.47 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 -1.55 0.50 0.13 2.13 0.40 -1.11 -5.07 117.98 113.41 2wni s PHE 136 Ca 0.40 -0.17 -0.17 0.00 -0.60 0.00 0.00 56.93 56.40 2wni s PHE 136 Cb 0.24 -0.32 -0.02 0.00 0.51 0.00 0.00 43.02 43.43 2wni s PHE 136 CO 0.23 -0.02 1.68 0.00 0.70 0.00 0.00 175.22 177.81 2wni h ALA 137 N 5.72 0.46 0.00 5.36 0.00 -1.91 -2.76 119.26 126.13 2wni h ALA 137 Ca -0.29 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2wni h ALA 137 Cb 1.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2wni h ALA 137 CO 0.48 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.78 2wni h ALA 138 N 1.00 1.00 0.00 0.00 0.00 -1.92 -3.01 119.26 116.33 2wni h ALA 138 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 2wni h ALA 138 Cb 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2wni h ALA 138 CO -0.01 0.00 -0.31 0.25 0.00 0.00 0.00 179.25 179.18 2wni n THR 139 N -2.80 1.46 -3.33 0.00 -2.24 -1.06 -4.21 114.28 102.10 2wni n THR 139 Ca -0.02 -2.01 -0.29 0.00 -2.27 0.00 0.00 64.05 59.47 2wni n THR 139 Cb 0.10 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.20 3.65 0.59 -0.78 -0.21 -1.11 -4.03 119.66 115.57 2wni s GLN 140 Ca 0.28 0.04 -0.10 0.00 0.02 0.00 0.00 55.36 55.61 2wni s GLN 140 Cb 0.26 -2.64 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2wni s GLN 140 CO -0.02 0.22 0.98 0.95 -2.12 0.00 0.00 175.29 175.29 2wni s THR 141 N -2.06 4.75 -0.13 -0.19 -4.23 -1.26 -4.84 115.64 107.68 2wni s THR 141 Ca 0.44 0.73 -0.23 0.00 -1.18 0.00 0.00 61.69 61.45 2wni s THR 141 Cb -0.11 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.84 2wni s THR 141 CO 0.29 -1.08 0.69 -0.62 -0.54 0.00 0.00 174.62 173.36 2wni s ASP 142 N -4.16 6.87 0.17 3.99 2.15 -1.26 -4.99 116.67 119.44 2wni s ASP 142 Ca 0.53 1.06 -0.25 0.00 0.43 0.00 0.00 52.55 54.32 2wni s ASP 142 Cb -0.11 -2.39 0.05 0.00 -0.30 0.00 0.00 42.92 40.17 2wni s ASP 142 CO 0.52 -0.21 1.57 -0.65 -0.17 0.00 0.00 175.17 176.23 2wni h PRO 143 N 7.08 -0.22 -0.57 4.34 0.11 -1.93 -0.02 132.00 140.79 2wni h PRO 143 Ca -0.36 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 2wni h PRO 143 Cb 1.17 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2wni h PRO 143 CO 0.78 -0.15 0.19 0.00 -0.21 0.00 0.00 178.00 178.61 2wni h ALA 144 N 0.68 0.75 -0.67 -0.75 0.00 -1.96 -1.57 119.26 115.74 2wni h ALA 144 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2wni h ALA 144 Cb 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2wni h ALA 144 CO -0.67 0.40 0.20 0.00 0.00 0.00 0.00 179.25 179.18 2wni h ARG 145 N 0.80 1.03 -0.40 0.00 2.47 -1.86 -1.21 114.38 115.21 2wni h ARG 145 Ca 0.19 -0.21 -0.00 0.00 -1.26 0.00 0.00 59.98 58.69 2wni h ARG 145 Cb 0.26 -0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.41 2wni h ARG 145 CO -0.01 0.89 0.25 0.37 0.56 0.00 0.00 179.97 182.03 2wni h GLN 146 N 1.00 0.54 -0.52 0.04 5.75 -0.68 0.04 115.11 121.29 2wni h GLN 146 Ca 0.22 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.58 2wni h GLN 146 Cb 0.29 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.71 2wni h GLN 146 CO -0.01 0.40 -0.05 1.25 -2.65 0.00 0.00 178.83 177.77 2wni h LEU 147 N 0.53 0.94 -0.79 -2.39 5.85 -1.06 -2.28 115.31 116.10 2wni h LEU 147 Ca 0.15 -0.33 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 2wni h LEU 147 Cb -0.01 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 2wni h LEU 147 CO -0.03 1.04 -0.36 0.00 -0.34 0.00 0.00 178.44 178.76 2wni h ALA 148 N 0.93 0.97 -0.12 1.25 0.00 -1.06 -0.17 119.26 121.05 2wni h ALA 148 Ca 0.14 -0.41 -0.19 0.00 0.00 0.00 0.00 54.91 54.45 2wni h ALA 148 Cb 0.59 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wni h ALA 148 CO 0.04 0.61 -0.65 0.00 0.00 0.00 0.00 179.25 179.25 2wni h ALA 149 N 1.21 0.24 -0.34 0.00 0.00 -0.45 -0.31 119.26 119.60 2wni h ALA 149 Ca 0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 2wni h ALA 149 Cb 0.82 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2wni h ALA 149 CO 0.07 0.53 0.20 0.28 0.00 0.00 0.00 179.25 180.33 2wni h VAL 150 N 0.33 1.13 -0.78 0.00 2.07 -1.44 0.18 116.25 117.73 2wni h VAL 150 Ca -0.05 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 2wni h VAL 150 Cb 1.29 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 2wni h VAL 150 CO 0.13 0.13 0.42 0.11 0.02 0.00 0.00 177.57 178.38 2wni h LYS 151 N 0.44 1.09 0.17 1.57 1.57 -0.92 0.74 116.57 121.23 2wni h LYS 151 Ca 0.12 -0.13 -0.30 0.00 -1.87 0.00 0.00 60.65 58.48 2wni h LYS 151 Cb 0.04 -0.21 0.02 0.00 0.08 0.00 0.00 32.23 32.16 2wni h LYS 151 CO -0.02 0.80 -1.31 1.49 -0.57 0.00 0.00 179.45 179.84 2wni h GLU 152 N 1.09 0.43 -0.24 3.15 4.81 -0.76 -1.55 114.58 121.50 2wni h GLU 152 Ca 0.27 -0.68 -0.12 0.00 -0.13 0.00 0.00 59.36 58.70 2wni h GLU 152 Cb 0.04 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2wni h GLU 152 CO -0.04 1.31 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.98 2wni h LYS 153 N 0.14 0.53 -0.56 1.92 3.64 -0.47 -3.19 116.57 118.58 2wni h LYS 153 Ca -0.18 -0.25 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2wni h LYS 153 Cb 2.01 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 33.78 2wni h LYS 153 CO 0.23 0.81 0.30 0.00 -2.27 0.00 0.00 179.45 178.53 2wni h ALA 154 N 1.17 0.73 -0.88 5.00 0.00 0.76 -3.47 119.26 122.58 2wni h ALA 154 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wni h ALA 154 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2wni h ALA 154 CO 0.07 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.71 2wni n GLY 155 N -1.26 3.12 3.52 0.00 0.00 -0.61 -4.44 105.19 105.53 2wni n GLY 155 Ca 0.06 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 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 6.30 0.17 1.61 2.15 -1.26 -4.89 116.67 116.75 2wni s ASP 156 Ca 0.00 -0.41 -0.05 0.00 0.43 0.00 0.00 52.55 52.52 2wni s ASP 156 Cb 0.00 -2.47 0.06 0.00 -0.30 0.00 0.00 42.92 40.21 2wni s ASP 156 CO 0.00 -1.40 1.47 -0.07 -0.17 0.00 0.00 175.17 175.01 2wni h LEU 157 N 11.50 0.69 -1.05 -1.34 3.38 -1.85 -2.63 115.31 123.99 2wni h LEU 157 Ca -0.27 -0.38 0.15 0.00 0.09 0.00 0.00 57.88 57.48 2wni h LEU 157 Cb 1.07 -0.20 -0.09 0.00 0.09 0.00 0.00 40.66 41.53 2wni h LEU 157 CO 1.15 1.11 0.62 0.00 0.09 0.00 0.00 178.44 181.41 2wni h ALA 158 N 0.90 1.64 0.00 1.53 0.00 -1.90 -0.39 119.26 121.04 2wni h ALA 158 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 2wni h ALA 158 Cb 1.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2wni h ALA 158 CO 0.11 0.06 -0.65 0.37 0.00 0.00 0.00 179.25 179.15 2wni h GLN 159 N 0.85 0.00 -0.30 0.00 4.15 -1.92 -2.01 115.11 115.89 2wni h GLN 159 Ca 0.53 0.00 -0.11 0.00 0.77 0.00 0.00 58.65 59.84 2wni h GLN 159 Cb 0.70 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 2wni h GLN 159 CO -0.30 0.65 -0.23 0.00 -1.93 0.00 0.00 178.83 177.01 2wni h ARG 160 N 0.00 0.68 -0.89 1.69 3.08 -0.91 -2.47 114.38 115.56 2wni h ARG 160 Ca -0.01 -0.34 0.01 0.00 0.07 0.00 0.00 59.98 59.71 2wni h ARG 160 Cb 1.19 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.20 2wni h ARG 160 CO 0.08 0.94 0.59 -0.09 -1.07 0.00 0.00 179.97 180.43 2wni h ARG 161 N 0.43 1.17 -0.33 0.04 2.43 -1.09 -2.27 114.38 114.75 2wni h ARG 161 Ca 0.05 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2wni h ARG 161 Cb 0.79 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2wni h ARG 161 CO 0.06 0.78 0.09 0.37 -1.51 0.00 0.00 179.97 179.76 2wni h GLN 162 N 1.21 0.53 0.00 0.20 5.75 -1.29 -2.33 115.11 119.17 2wni h GLN 162 Ca 0.33 -0.12 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2wni h GLN 162 Cb -0.14 -0.07 -0.00 0.00 1.07 0.00 0.00 27.48 28.34 2wni h GLN 162 CO -0.07 0.58 -0.11 0.00 -2.65 0.00 0.00 178.83 176.57 2wni h ALA 163 N 0.93 1.60 -0.38 3.38 0.00 -1.23 -1.42 119.26 122.13 2wni h ALA 163 Ca 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wni h ALA 163 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wni h ALA 163 CO -0.00 0.14 0.00 1.28 0.00 0.00 0.00 179.25 180.67 2wni n LEU 164 N -4.09 2.60 -0.37 0.00 4.77 -0.87 -4.54 117.00 114.50 2wni n LEU 164 Ca -0.02 -1.20 -0.01 0.00 -0.03 0.00 0.00 56.01 54.75 2wni n LEU 164 Cb 0.20 -0.25 0.13 0.00 -2.33 0.00 0.00 43.42 41.17 2wni n LEU 164 CO 0.33 0.60 1.28 0.00 -1.33 0.00 0.00 177.39 178.27 2wni h ALA 165 N 4.12 1.31 -0.28 -1.18 0.00 -0.73 0.21 119.26 122.70 2wni h ALA 165 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2wni h ALA 165 Cb 0.70 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wni h ALA 165 CO 0.00 0.58 -0.02 -1.35 0.00 0.00 0.00 179.25 178.46 2wni h PRO 166 N 1.29 0.44 -0.15 0.00 0.11 -1.81 -0.96 132.00 130.91 2wni h PRO 166 Ca 0.39 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.23 2wni h PRO 166 Cb -0.05 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.00 2wni h PRO 166 CO -0.11 0.48 -0.60 1.15 -0.21 0.00 0.00 178.00 178.71 2wni h THR 167 N 0.42 1.32 -1.01 -1.15 2.02 -1.05 -1.95 112.91 111.51 2wni h THR 167 Ca 0.09 -1.85 0.14 0.00 0.77 0.00 0.00 66.41 65.56 2wni h THR 167 Cb 0.31 2.01 -0.09 0.00 -1.74 0.00 0.00 68.15 68.64 2wni h THR 167 CO 0.01 0.58 0.63 0.40 0.37 0.00 0.00 175.52 177.51 2wni h ILE 168 N 0.37 0.87 -0.09 3.11 2.04 -0.66 -0.60 117.51 122.55 2wni h ILE 168 Ca -0.03 -0.32 -0.16 0.00 1.00 0.00 0.00 64.86 65.34 2wni h ILE 168 Cb 1.23 -0.16 0.01 0.00 -0.74 0.00 0.00 36.82 37.16 2wni h ILE 168 CO 0.13 0.17 -0.57 -0.61 0.00 0.00 0.00 178.15 177.27 2wni h GLN 169 N 0.94 0.55 -0.70 2.37 5.75 -0.87 0.12 115.11 123.27 2wni h GLN 169 Ca 0.52 -0.47 0.04 0.00 -0.15 0.00 0.00 58.65 58.59 2wni h GLN 169 Cb 0.59 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 29.20 2wni h GLN 169 CO -0.29 1.10 0.46 -0.07 -2.65 0.00 0.00 178.83 177.38 2wni h LEU 170 N 0.15 0.71 -0.11 -2.39 3.38 -1.08 -0.77 115.31 115.21 2wni h LEU 170 Ca -0.05 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2wni h LEU 170 Cb 1.23 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2wni h LEU 170 CO 0.12 0.48 -0.01 0.25 0.09 0.00 0.00 178.44 179.37 2wni h LEU 171 N 0.82 0.19 -0.14 1.67 5.85 -0.55 -2.54 115.31 120.61 2wni h LEU 171 Ca 0.29 -0.32 0.05 0.00 0.84 0.00 0.00 57.88 58.73 2wni h LEU 171 Cb 0.11 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2wni h LEU 171 CO -0.08 0.47 -0.23 0.50 -0.34 0.00 0.00 178.44 178.76 2wni h LYS 172 N -0.09 -0.27 -0.39 1.25 3.64 -0.43 -1.10 116.57 119.17 2wni h LYS 172 Ca 0.03 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2wni h LYS 172 Cb 0.37 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 2wni h LYS 172 CO 0.01 -0.18 0.28 1.96 -2.27 0.00 0.00 179.45 179.24 2wni h GLN 173 N -0.29 0.04 0.10 1.90 4.20 -1.17 0.43 115.11 120.31 2wni h GLN 173 Ca 0.10 -0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.55 2wni h GLN 173 Cb 0.44 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2wni h GLN 173 CO -0.30 0.02 -1.16 0.00 -0.67 0.00 0.00 178.83 176.72 2wni h ALA 174 N 1.80 0.18 0.00 3.87 0.00 -0.84 -3.41 119.26 120.86 2wni h ALA 174 Ca 0.19 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2wni h ALA 174 Cb 0.70 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 2wni h ALA 174 CO -0.01 0.95 -1.18 1.33 0.00 0.00 0.00 179.25 180.34 2wni n VAL 175 N -3.58 0.00 -3.25 0.00 0.24 -0.51 -4.75 118.33 106.48 2wni n VAL 175 Ca -0.08 -0.22 -0.39 0.00 -2.04 0.00 0.00 64.34 61.62 2wni n VAL 175 Cb 0.97 0.45 -0.06 0.00 -1.47 0.00 0.00 33.84 33.74 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 0.10 4.52 0.02 0.00 -2.07 -1.26 -4.85 119.66 116.12 2wni s GLN 177 Ca 0.29 1.28 -0.33 0.00 -1.82 0.00 0.00 55.36 54.79 2wni s GLN 177 Cb -0.17 -2.72 -0.11 0.00 -1.09 0.00 0.00 33.01 28.91 2wni s GLN 177 CO 0.15 0.24 1.85 0.00 -1.32 0.00 0.00 175.29 176.21 2wni n ALA 178 N 0.41 1.38 0.00 2.60 0.00 -1.26 -2.71 120.51 120.93 2wni n ALA 178 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.76 2wni n ALA 178 Cb 0.51 -2.54 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 6.14 0.00 -4.76 0.00 9.92 -1.26 -4.98 116.55 121.60 2wni n ASP 179 Ca 0.20 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 54.09 2wni n ASP 179 Cb 0.33 -0.22 0.01 0.00 -0.64 0.00 0.00 41.12 40.60 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 3.53 0.65 -1.24 2.47 -1.10 -5.03 119.74 119.02 2wni s LYS 180 Ca 0.00 1.88 -0.09 0.00 -1.56 0.00 0.00 55.97 56.20 2wni s LYS 180 Cb 0.00 -2.32 0.01 0.00 -1.46 0.00 0.00 37.83 34.06 2wni s LYS 180 CO 0.00 -0.77 1.00 -1.25 0.16 0.00 0.00 175.35 174.49 2wni s PRO 181 N -2.82 2.94 -0.36 4.03 0.04 -1.26 -4.69 135.00 132.88 2wni s PRO 181 Ca 0.67 0.27 0.01 0.00 0.04 0.00 0.00 61.00 61.99 2wni s PRO 181 Cb -0.31 -2.14 0.15 0.00 0.04 0.00 0.00 34.50 32.23 2wni s PRO 181 CO 0.37 -0.84 0.29 0.00 0.04 0.00 0.00 177.00 176.86 2wni h PRO 183 N 7.09 0.77 -1.06 0.00 0.13 -1.90 -3.02 132.00 134.00 2wni h PRO 183 Ca 0.05 -0.23 0.30 0.00 -0.87 0.00 0.00 66.00 65.25 2wni h PRO 183 Cb 1.02 -0.08 -0.06 0.00 0.13 0.00 0.00 31.00 32.01 2wni h PRO 183 CO 0.24 0.81 0.74 0.97 -0.23 0.00 0.00 178.00 180.53 2wni h ILE 184 N 0.62 0.49 0.00 -3.56 6.09 -1.94 0.76 117.51 119.97 2wni h ILE 184 Ca 0.13 -0.04 0.00 0.00 -1.37 0.00 0.00 64.86 63.58 2wni h ILE 184 Cb 0.44 0.35 0.00 0.00 0.47 0.00 0.00 36.82 38.08 2wni h ILE 184 CO 0.02 0.02 0.00 0.49 -3.07 0.00 0.00 178.15 175.61 2wni n PHE 185 N -4.34 0.00 -0.13 2.19 3.01 -1.14 -3.55 117.46 113.51 2wni n PHE 185 Ca 0.23 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.43 2wni n PHE 185 Cb 1.05 -0.14 -0.09 0.00 -0.01 0.00 0.00 39.48 40.29 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 -1.14 1.89 -4.45 4.37 8.00 0.26 -5.00 116.55 120.49 2wni n ASP 186 Ca 0.19 0.33 -0.52 0.00 0.71 0.00 0.00 54.79 55.49 2wni n ASP 186 Cb 0.17 -0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 40.44 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 -4.24 1.17 -2.03 -3.53 -2.24 -1.08 -4.97 114.28 97.35 2wni n THR 187 Ca -0.47 -0.29 -0.28 0.00 -2.27 0.00 0.00 64.05 60.74 2wni n THR 187 Cb 0.82 -0.05 0.09 0.00 -2.10 0.00 0.00 70.33 69.09 2wni n THR 187 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2wni s PRO 188 N -0.59 1.91 -0.28 -0.78 0.02 -1.26 -4.85 135.00 129.17 2wni s PRO 188 Ca 0.75 -0.10 -0.18 0.00 0.02 0.00 0.00 61.00 61.48 2wni s PRO 188 Cb -1.06 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 2wni s PRO 188 CO 0.56 -1.55 0.54 -1.58 -0.33 0.00 0.00 177.00 174.64 2wni s TRP 189 N -3.48 3.24 0.14 6.54 0.51 -1.26 -4.61 118.94 120.02 2wni s TRP 189 Ca 0.63 0.57 0.08 0.00 -2.12 0.00 0.00 56.10 55.25 2wni s TRP 189 Cb -0.10 -2.80 -0.04 0.00 -0.81 0.00 0.00 33.47 29.72 2wni s TRP 189 CO 0.48 -0.35 -0.18 1.03 -0.51 0.00 0.00 176.95 177.41 2wni s ARG 190 N 2.38 1.18 0.00 4.98 0.52 -1.26 -4.61 118.95 122.15 2wni s ARG 190 Ca 0.22 -1.30 -0.30 0.00 -0.52 0.00 0.00 55.73 53.82 2wni s ARG 190 Cb -0.15 -1.26 -0.03 0.00 0.52 0.00 0.00 34.95 34.02 2wni s ARG 190 CO 0.10 0.27 0.98 0.08 0.02 0.00 0.00 175.30 176.75 2wni s VAL 191 N -1.81 4.86 0.13 3.52 1.01 -1.26 -1.32 120.40 125.53 2wni s VAL 191 Ca 0.12 2.06 0.06 0.00 0.00 0.00 0.00 61.98 64.22 2wni s VAL 191 Cb -0.07 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2wni s VAL 191 CO 0.05 0.16 -0.14 -1.61 0.00 0.00 0.00 175.10 173.57 2wni s GLU 192 N 0.99 1.06 -0.03 2.72 2.02 -0.16 -4.96 118.70 120.34 2wni s GLU 192 Ca 0.52 -1.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.20 2wni s GLU 192 Cb -0.21 -0.90 0.03 0.00 0.10 0.00 0.00 34.13 33.15 2wni s GLU 192 CO 0.28 0.16 0.02 -1.14 0.02 0.00 0.00 175.26 174.60 2wni s GLN 193 N -2.91 0.16 0.82 1.61 0.74 -1.26 -1.44 119.66 117.38 2wni s GLN 193 Ca 0.11 0.17 -0.12 0.00 0.05 0.00 0.00 55.36 55.57 2wni s GLN 193 Cb -0.04 -0.47 0.09 0.00 1.10 0.00 0.00 33.01 33.69 2wni s GLN 193 CO 0.03 -0.20 1.13 -1.54 -0.55 0.00 0.00 175.29 174.16 2wni s SER 194 N 1.34 4.32 0.53 6.67 1.04 -0.32 -4.85 113.70 122.44 2wni s SER 194 Ca -0.05 1.07 0.24 0.00 0.48 0.00 0.00 55.95 57.69 2wni s SER 194 Cb -0.13 -1.72 1.39 0.00 0.10 0.00 0.00 66.02 65.67 2wni s SER 194 CO -0.03 -2.05 2.02 0.50 0.98 0.00 0.00 173.24 174.66 2wni h LYS 195 N -1.15 0.00 0.00 4.02 1.63 -2.01 0.12 116.57 119.18 2wni h LYS 195 Ca -0.48 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2wni h LYS 195 Cb 1.30 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.93 2wni h LYS 195 CO 0.62 0.00 0.00 -1.13 -3.45 0.00 0.00 179.45 175.49 2wni n SER 196 N -4.36 0.00 0.00 4.20 3.41 -1.26 -4.93 113.62 110.68 2wni n SER 196 Ca 0.08 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2wni n SER 196 Cb 0.53 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 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 1.31 0.68 3.66 5.00 0.00 0.42 -4.97 105.19 111.29 2wni n GLY 197 Ca 0.12 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 2wni n GLY 197 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2wni n LYS 198 N -2.00 2.02 -3.88 1.61 5.02 -1.26 -4.69 118.16 114.98 2wni n LYS 198 Ca 0.00 0.73 -0.33 0.00 -2.02 0.00 0.00 58.31 56.69 2wni n LYS 198 Cb 0.00 -2.49 -0.05 0.00 -0.02 0.00 0.00 35.03 32.47 2wni n LYS 198 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wni s THR 199 N 1.23 5.41 0.27 -0.18 -4.23 -1.26 -1.18 115.64 115.71 2wni s THR 199 Ca 0.81 -0.12 -0.03 0.00 -1.18 0.00 0.00 61.69 61.18 2wni s THR 199 Cb -0.72 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 69.56 2wni s THR 199 CO 0.41 0.32 0.34 0.42 -0.54 0.00 0.00 174.62 175.56 2wni s THR 200 N -1.33 0.00 -0.21 3.99 -4.23 -0.52 -4.95 115.64 108.38 2wni s THR 200 Ca 0.28 -1.74 0.02 0.00 -1.18 0.00 0.00 61.69 59.06 2wni s THR 200 Cb -0.13 -2.47 0.04 0.00 1.34 0.00 0.00 72.50 71.28 2wni s THR 200 CO 0.19 0.00 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.49 2wni s ILE 201 N -3.68 2.02 0.45 2.99 -1.09 -1.26 -0.99 121.20 119.65 2wni s ILE 201 Ca 0.33 -1.21 -0.25 0.00 -2.23 0.00 0.00 60.65 57.29 2wni s ILE 201 Cb 0.02 -1.99 -0.09 0.00 -1.58 0.00 0.00 42.46 38.83 2wni s ILE 201 CO 0.16 0.26 1.31 -1.54 -1.23 0.00 0.00 174.94 173.90 2wni n SER 202 N 4.56 2.70 0.00 3.58 3.41 -0.44 -0.96 113.62 126.47 2wni n SER 202 Ca -0.17 1.09 0.00 0.00 -0.26 0.00 0.00 58.87 59.53 2wni n SER 202 Cb 0.46 -1.53 0.00 0.00 -0.26 0.00 0.00 64.21 62.88 2wni n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wni n GLY 203 N 0.76 1.60 0.32 5.00 0.00 -1.26 -4.17 105.19 107.44 2wni n GLY 203 Ca 0.07 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.76 -0.31 0.99 5.85 -1.76 -0.72 115.31 118.60 2wni h LEU 204 Ca 0.00 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.84 2wni h LEU 204 Cb 0.00 0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2wni h LEU 204 CO 0.00 -0.41 -0.02 0.28 -0.34 0.00 0.00 178.44 177.94 2wni h SER 205 N -0.61 -0.17 -0.14 1.25 0.02 -1.30 0.24 113.55 112.84 2wni h SER 205 Ca -0.01 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.95 2wni h SER 205 Cb 0.55 0.15 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 2wni h SER 205 CO -0.05 -0.05 -0.09 0.58 -1.14 0.00 0.00 176.83 176.08 2wni h VAL 206 N 0.06 1.21 -0.29 2.27 2.07 -1.75 0.31 116.25 120.13 2wni h VAL 206 Ca 0.15 -0.91 -0.07 0.00 0.82 0.00 0.00 66.70 66.69 2wni h VAL 206 Cb 0.21 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 2wni h VAL 206 CO -0.27 0.30 -0.14 0.24 0.02 0.00 0.00 177.57 177.72 2wni h MET 207 N 0.43 0.50 -0.09 1.57 2.07 0.57 0.06 114.93 120.05 2wni h MET 207 Ca 0.09 -0.15 -0.20 0.00 -2.07 0.00 0.00 59.70 57.37 2wni h MET 207 Cb 0.42 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 30.10 2wni h MET 207 CO 0.02 0.63 -0.76 0.00 1.07 0.00 0.00 176.91 177.87 2wni h ALA 208 N 1.40 0.52 -0.22 6.32 0.00 0.97 -0.29 119.26 127.97 2wni h ALA 208 Ca 0.08 -0.61 -0.06 0.00 0.00 0.00 0.00 54.91 54.32 2wni h ALA 208 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wni h ALA 208 CO 0.03 0.75 -0.12 -0.91 0.00 0.00 0.00 179.25 179.00 2wni h ASN 209 N 0.32 0.34 -0.48 0.00 -0.26 0.15 0.12 115.58 115.77 2wni h ASN 209 Ca -0.04 -0.08 -0.04 0.00 -0.56 0.00 0.00 56.30 55.58 2wni h ASN 209 Cb 1.35 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 38.50 2wni h ASN 209 CO 0.14 0.50 0.13 0.24 -1.06 0.00 0.00 177.43 177.37 2wni h MET 210 N 0.34 0.76 -0.51 0.81 2.86 -0.43 -1.72 114.93 117.04 2wni h MET 210 Ca 0.07 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 2wni h MET 210 Cb 0.42 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2wni h MET 210 CO 0.02 0.73 -0.18 0.28 1.06 0.00 0.00 176.91 178.83 2wni h VAL 211 N 0.65 1.27 -0.52 -2.22 2.07 0.04 0.16 116.25 117.69 2wni h VAL 211 Ca 0.15 -1.34 -0.00 0.00 0.82 0.00 0.00 66.70 66.33 2wni h VAL 211 Cb 0.30 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2wni h VAL 211 CO -0.00 0.47 0.32 -0.08 0.02 0.00 0.00 177.57 178.30 2wni h GLU 212 N 0.88 0.70 -0.05 1.57 4.57 -0.77 0.92 114.58 122.40 2wni h GLU 212 Ca 0.12 -0.05 -0.24 0.00 -1.18 0.00 0.00 59.36 58.01 2wni h GLU 212 Cb 0.76 -0.15 0.01 0.00 -0.16 0.00 0.00 28.75 29.21 2wni h GLU 212 CO 0.06 0.49 -0.93 1.15 -1.18 0.00 0.00 179.01 178.60 2wni h THR 213 N 0.71 1.31 -0.91 0.32 2.02 -0.24 -0.66 112.91 115.46 2wni h THR 213 Ca 0.19 -2.20 -0.02 0.00 0.77 0.00 0.00 66.41 65.15 2wni h THR 213 Cb -0.04 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 2wni h THR 213 CO -0.04 0.68 0.51 -0.07 0.37 0.00 0.00 175.52 176.97 2wni h LEU 214 N 0.40 1.13 -0.35 2.58 3.38 0.01 0.85 115.31 123.31 2wni h LEU 214 Ca -0.09 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 2wni h LEU 214 Cb 1.56 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2wni h LEU 214 CO 0.18 0.90 -0.33 -0.09 0.09 0.00 0.00 178.44 179.19 2wni h ARG 215 N 1.27 0.84 -0.46 1.13 1.12 -0.66 0.18 114.38 117.80 2wni h ARG 215 Ca 0.32 -0.43 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 2wni h ARG 215 Cb 0.01 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2wni h ARG 215 CO -0.05 1.07 0.21 -0.07 -3.11 0.00 0.00 179.97 178.02 2wni h LEU 216 N 0.63 0.61 -0.75 3.80 3.38 -0.96 -1.87 115.31 120.15 2wni h LEU 216 Ca 0.06 -0.14 0.05 0.00 0.09 0.00 0.00 57.88 57.94 2wni h LEU 216 Cb 0.91 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2wni h LEU 216 CO 0.08 0.58 0.45 1.23 0.09 0.00 0.00 178.44 180.87 2wni h GLY 217 N 0.60 1.10 0.37 0.83 0.00 -0.34 0.84 103.07 106.47 2wni h GLY 217 Ca 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 2wni h GLY 217 CO -0.02 0.24 -0.46 -0.25 0.00 0.00 0.00 176.54 176.05 2wni h TRP 218 N 0.85 -1.28 -0.48 5.60 2.91 -0.58 -2.22 115.95 120.74 2wni h TRP 218 Ca 0.32 0.02 0.14 0.00 1.13 0.00 0.00 58.89 60.50 2wni h TRP 218 Cb 0.12 0.51 -0.02 0.00 -0.51 0.00 0.00 29.16 29.26 2wni h TRP 218 CO -0.05 -0.59 0.47 0.77 -1.03 0.00 0.00 178.44 178.01 2wni h SER 219 N -0.85 0.00 1.21 2.65 0.02 -1.02 -1.31 113.55 114.26 2wni h SER 219 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wni h SER 219 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 2wni h SER 219 CO -0.10 0.00 0.00 1.21 -1.14 0.00 0.00 176.83 176.80 2wni n GLU 220 N -3.84 0.12 -2.61 3.45 4.07 0.26 -2.98 120.64 119.11 2wni n GLU 220 Ca 0.09 0.10 -0.20 0.00 -0.06 0.00 0.00 57.16 57.10 2wni n GLU 220 Cb 0.67 -1.64 0.01 0.00 -0.06 0.00 0.00 31.44 30.41 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 -1.85 -5.61 -4.66 4.31 5.15 -0.49 -4.90 115.26 107.21 2wni n ASN 221 Ca 0.06 -0.12 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 2wni n ASN 221 Cb 0.38 -4.56 0.03 0.00 -0.53 0.00 0.00 39.78 35.09 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 -3.14 3.72 -4.67 1.20 4.77 -1.00 -4.96 117.00 112.93 2wni n LEU 222 Ca -0.18 0.98 -0.40 0.00 -0.03 0.00 0.00 56.01 56.39 2wni n LEU 222 Cb 0.65 -1.44 0.03 0.00 -2.33 0.00 0.00 43.42 40.33 2wni n LEU 222 CO 0.33 -1.22 0.76 -2.65 -1.33 0.00 0.00 177.39 173.28 2wni n PRO 223 N -0.36 1.51 -0.09 3.23 -0.02 -1.26 -4.78 135.00 133.23 2wni n PRO 223 Ca 0.10 0.55 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2wni n PRO 223 Cb 0.42 -2.30 0.45 0.00 -0.02 0.00 0.00 33.50 32.05 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 1.45 0.46 -2.01 2.45 3.38 -1.93 0.31 115.31 119.42 2wni h LEU 224 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2wni h LEU 224 Cb 1.32 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2wni h LEU 224 CO 0.56 0.29 0.00 0.77 0.09 0.00 0.00 178.44 180.16 2wni h SER 225 N 0.52 0.00 -0.01 -0.43 4.64 -1.91 -1.74 113.55 114.62 2wni h SER 225 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2wni h SER 225 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2wni h SER 225 CO -0.08 0.00 -0.43 0.00 -0.87 0.00 0.00 176.83 175.46 2wni n GLN 226 N -3.08 1.54 -0.02 4.77 6.02 0.05 -3.38 117.38 123.28 2wni n GLN 226 Ca -0.01 -0.76 -0.01 0.00 -0.01 0.00 0.00 57.00 56.22 2wni n GLN 226 Cb 0.22 -1.33 -0.00 0.00 1.02 0.00 0.00 30.24 30.15 2wni n GLN 226 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2wni h LEU 227 N 1.73 0.00 -5.43 1.08 5.85 -1.07 -3.41 115.31 114.07 2wni h LEU 227 Ca 0.00 0.00 -0.52 0.00 0.84 0.00 0.00 57.88 58.20 2wni h LEU 227 Cb 0.58 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.20 2wni h LEU 227 CO 0.00 0.16 -0.93 0.00 -0.34 0.00 0.00 178.44 177.33 2wni n ALA 228 N -2.53 3.56 -4.01 1.25 0.00 -1.22 -4.93 120.51 112.63 2wni n ALA 228 Ca -0.01 -3.96 -0.31 0.00 0.00 0.00 0.00 53.44 49.15 2wni n ALA 228 Cb 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.05 -2.01 -0.39 0.00 8.01 -1.22 -0.53 117.44 121.24 2wni n TRP 229 Ca 0.27 0.85 0.00 0.00 -1.31 0.00 0.00 57.50 57.31 2wni n TRP 229 Cb 0.58 -3.62 0.00 0.00 -2.01 0.00 0.00 31.31 26.26 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 -1.61 1.47 0.21 6.99 0.00 -0.69 -4.92 105.19 106.65 2wni n GLY 230 Ca -0.01 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 1.75 0.00 -4.92 1.61 1.79 -1.06 -3.42 116.57 112.32 2wni h LYS 231 Ca 0.00 0.00 -0.67 0.00 -2.18 0.00 0.00 60.65 57.80 2wni h LYS 231 Cb 0.00 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 30.36 2wni h LYS 231 CO 0.00 0.00 -0.71 0.42 -1.08 0.00 0.00 179.45 178.08 2wni s ILE 232 N -3.30 3.35 0.00 1.86 1.01 -1.26 -4.95 121.20 117.91 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 -2.63 0.00 0.00 0.01 0.00 0.00 42.46 39.91 2wni s ILE 232 CO 0.62 0.27 0.00 0.00 0.00 0.00 0.00 174.94 175.83 2wni n ALA 233 N 4.77 1.37 -2.83 9.38 0.00 -1.26 -4.80 120.51 127.15 2wni n ALA 233 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 2wni n ALA 233 Cb 0.49 0.00 -0.08 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 -0.70 0.72 0.47 0.00 -2.07 -1.26 -5.03 119.66 111.79 2wni s GLN 234 Ca 0.00 -0.67 0.26 0.00 -1.82 0.00 0.00 55.36 53.13 2wni s GLN 234 Cb 0.00 0.30 1.31 0.00 -1.09 0.00 0.00 33.01 33.53 2wni s GLN 234 CO 0.00 -0.21 1.81 0.00 -1.32 0.00 0.00 175.29 175.57 2wni h ALA 235 N 3.34 2.62 0.00 2.60 0.00 -1.98 0.20 119.26 126.04 2wni h ALA 235 Ca -0.32 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 2wni h ALA 235 Cb 1.19 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 2wni h ALA 235 CO 0.49 -0.96 -0.18 0.66 0.00 0.00 0.00 179.25 179.26 2wni h SER 236 N 0.20 0.00 -0.25 0.00 4.64 -1.96 -0.58 113.55 115.60 2wni h SER 236 Ca 0.54 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.78 2wni h SER 236 Cb 1.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.81 2wni h SER 236 CO -0.14 0.18 -0.09 1.56 -0.87 0.00 0.00 176.83 177.47 2wni h GLN 237 N 0.00 0.64 -0.00 4.77 4.20 -1.01 -2.22 115.11 121.49 2wni h GLN 237 Ca -0.00 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2wni h GLN 237 Cb 0.78 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.49 2wni h GLN 237 CO 0.02 0.72 0.00 0.82 -0.67 0.00 0.00 178.83 179.73 2wni h ILE 238 N 0.59 1.17 -0.79 2.54 1.08 -1.25 -3.05 117.51 117.80 2wni h ILE 238 Ca 0.11 -0.51 0.18 0.00 -0.39 0.00 0.00 64.86 64.24 2wni h ILE 238 Cb 0.51 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 35.72 2wni h ILE 238 CO 0.03 0.13 0.53 0.74 -0.69 0.00 0.00 178.15 178.89 2wni h THR 239 N -0.21 0.73 0.00 -0.27 2.02 -1.07 0.17 112.91 114.27 2wni h THR 239 Ca 0.00 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 67.07 2wni h THR 239 Cb 0.22 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2wni h THR 239 CO -0.00 0.06 -0.05 0.00 0.37 0.00 0.00 175.52 175.90 2wni h ALA 240 N 1.64 0.97 0.00 6.16 0.00 -1.35 -2.89 119.26 123.78 2wni h ALA 240 Ca 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 2wni h ALA 240 Cb 1.04 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 2wni h ALA 240 CO -0.11 0.00 -0.65 -0.07 0.00 0.00 0.00 179.25 178.42 2wni h LEU 241 N 0.00 0.00 -2.06 0.00 3.38 -0.86 -3.40 115.31 112.38 2wni h LEU 241 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wni h LEU 241 Cb 0.88 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2wni h LEU 241 CO 0.00 0.07 -0.09 -0.07 0.09 0.00 0.00 178.44 178.44 2wni h LEU 242 N 0.00 0.00 -2.27 1.67 3.38 -1.32 -1.62 115.31 115.15 2wni h LEU 242 Ca -0.01 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wni h LEU 242 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 2wni h LEU 242 CO 0.01 0.09 0.04 -0.65 0.09 0.00 0.00 178.44 178.01 2wni h PRO 243 N 0.00 0.00 0.00 1.13 0.11 -1.78 0.21 132.00 131.67 2wni h PRO 243 Ca -0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2wni h PRO 243 Cb 0.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2wni h PRO 243 CO 0.01 0.00 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.67 2wni h LEU 244 N 0.00 0.00 0.19 2.35 3.38 -1.63 -1.95 115.31 117.65 2wni h LEU 244 Ca 0.02 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.71 2wni h LEU 244 Cb 0.09 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.87 2wni h LEU 244 CO -0.00 0.06 -1.26 0.25 0.09 0.00 0.00 178.44 177.58 2wni h LEU 245 N 0.00 0.63 -1.04 1.67 5.85 -1.14 -2.42 115.31 118.86 2wni h LEU 245 Ca -0.00 -0.93 0.06 0.00 0.84 0.00 0.00 57.88 57.86 2wni h LEU 245 Cb 0.13 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 40.89 2wni h LEU 245 CO 0.01 1.60 0.64 0.74 -0.34 0.00 0.00 178.44 181.08 2wni h THR 246 N -0.10 1.09 -0.19 1.05 2.02 -1.29 -1.56 112.91 113.93 2wni h THR 246 Ca -0.23 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.54 2wni h THR 246 Cb 1.93 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.16 2wni h THR 246 CO 0.20 0.21 0.07 -0.08 0.37 0.00 0.00 175.52 176.28 2wni h GLU 247 N 1.16 0.28 -0.68 6.66 4.57 -1.22 0.19 114.58 125.54 2wni h GLU 247 Ca 0.42 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.49 2wni h GLU 247 Cb 0.16 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 2wni h GLU 247 CO -0.16 0.37 0.21 -0.97 -1.18 0.00 0.00 179.01 177.28 2wni h ASN 248 N 0.13 0.97 -0.23 1.04 -0.00 -1.23 -1.79 115.58 114.48 2wni h ASN 248 Ca 0.06 -0.17 0.03 0.00 -0.00 0.00 0.00 56.30 56.22 2wni h ASN 248 Cb 0.20 -0.25 -0.03 0.00 -0.00 0.00 0.00 38.32 38.24 2wni h ASN 248 CO -0.00 0.91 0.04 1.88 -0.00 0.00 0.00 177.43 180.26 2wni h TYR 249 N 1.00 0.07 -0.88 0.67 -1.99 -0.78 -1.91 116.97 113.16 2wni h TYR 249 Ca 0.22 0.01 0.16 0.00 2.00 0.00 0.00 58.73 61.13 2wni h TYR 249 Cb 0.29 0.00 -0.07 0.00 2.00 0.00 0.00 36.73 38.95 2wni h TYR 249 CO 0.02 0.02 0.57 -0.44 -0.00 0.00 0.00 178.16 178.33 2wni h ASP 250 N 0.13 0.56 -0.52 3.88 3.32 -0.09 0.08 116.42 123.78 2wni h ASP 250 Ca 0.10 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wni h ASP 250 Cb 0.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.59 2wni h ASP 250 CO -0.14 0.26 0.00 0.18 -1.72 0.00 0.00 179.24 177.82 2wni n LEU 251 N -4.55 2.99 0.00 1.55 4.77 -0.72 -3.70 117.00 117.33 2wni n LEU 251 Ca 0.18 -1.46 0.00 0.00 -0.03 0.00 0.00 56.01 54.70 2wni n LEU 251 Cb 0.55 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wni n LEU 251 CO 0.30 0.73 0.00 -1.54 -1.33 0.00 0.00 177.39 175.54 2wni n SER 252 N 1.14 0.00 0.09 -1.43 3.41 -0.11 -4.84 113.62 111.88 2wni n SER 252 Ca 0.19 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.83 2wni n SER 252 Cb 0.48 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.86 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 0.29 -0.29 4.04 4.21 -1.75 -2.33 115.58 119.75 2wni h ASN 253 Ca 0.00 -0.03 0.00 0.00 1.21 0.00 0.00 56.30 57.48 2wni h ASN 253 Cb 0.00 -0.07 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 2wni h ASN 253 CO 0.00 0.33 0.00 0.47 -1.29 0.00 0.00 177.43 176.94 2wni n ASP 254 N -4.38 1.80 -4.70 5.81 8.00 -0.45 -4.03 116.55 118.60 2wni n ASP 254 Ca 0.00 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.18 2wni n ASP 254 Cb 0.18 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.62 4.32 0.16 2.53 1.01 -0.88 -4.92 120.40 121.01 2wni s VAL 255 Ca 0.26 1.66 -0.22 0.00 0.00 0.00 0.00 61.98 63.69 2wni s VAL 255 Cb 0.14 -4.06 0.06 0.00 0.00 0.00 0.00 36.38 32.52 2wni s VAL 255 CO 0.19 0.08 1.62 0.25 0.00 0.00 0.00 175.10 177.24 2wni h LEU 256 N 7.30 -0.86 -0.45 3.92 5.85 -1.89 0.01 115.31 129.19 2wni h LEU 256 Ca -0.39 0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.58 2wni h LEU 256 Cb 1.20 0.42 -0.08 0.00 0.37 0.00 0.00 40.66 42.57 2wni h LEU 256 CO 0.82 -0.28 -0.02 0.22 -0.34 0.00 0.00 178.44 178.84 2wni h TYR 257 N -0.22 -0.07 -0.07 1.25 3.20 -1.96 0.28 116.97 119.39 2wni h TYR 257 Ca 0.17 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 2wni h TYR 257 Cb 0.48 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.85 2wni h TYR 257 CO -0.46 -0.12 0.03 1.15 -1.64 0.00 0.00 178.16 177.13 2wni h THR 258 N 0.09 1.11 -0.32 1.81 2.02 -1.68 -1.09 112.91 114.84 2wni h THR 258 Ca 0.22 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 2wni h THR 258 Cb 0.33 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2wni h THR 258 CO -0.39 0.09 0.12 0.00 0.37 0.00 0.00 175.52 175.71 2wni h ALA 259 N 0.91 1.62 -0.02 6.16 0.00 -0.06 -0.82 119.26 127.04 2wni h ALA 259 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2wni h ALA 259 Cb 0.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2wni h ALA 259 CO -0.00 0.30 -0.00 1.96 0.00 0.00 0.00 179.25 181.51 2wni h GLN 260 N 0.45 0.05 -0.21 0.00 4.20 0.15 0.49 115.11 120.23 2wni h GLN 260 Ca 0.11 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.76 2wni h GLN 260 Cb 0.10 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2wni h GLN 260 CO -0.01 0.39 -0.06 0.87 -0.67 0.00 0.00 178.83 179.35 2wni h LYS 261 N -0.30 0.41 -0.01 1.46 1.79 -0.93 -2.95 116.57 116.05 2wni h LYS 261 Ca 0.01 -0.16 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2wni h LYS 261 Cb 0.37 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2wni h LYS 261 CO 0.00 0.67 -0.49 0.54 -1.08 0.00 0.00 179.45 179.09 2wni n ARG 262 N -4.59 0.57 0.00 3.15 1.74 -0.34 -4.46 116.66 112.73 2wni n ARG 262 Ca -0.05 -0.40 0.00 0.00 -0.77 0.00 0.00 57.85 56.63 2wni n ARG 262 Cb 0.29 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.42 0.00 0.32 -0.13 0.00 0.17 -4.71 105.19 102.26 2wni n GLY 263 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.46 -0.40 1.61 0.02 -1.37 0.49 113.55 114.37 2wni h SER 264 Ca 0.00 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2wni h SER 264 Cb 0.60 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 2wni h SER 264 CO 0.00 0.11 0.18 1.62 -1.14 0.00 0.00 176.83 177.60 2wni h VAL 265 N 0.52 1.17 0.13 2.27 3.04 -1.82 -0.01 116.25 121.55 2wni h VAL 265 Ca 0.53 -0.51 -0.21 0.00 -1.01 0.00 0.00 66.70 65.50 2wni h VAL 265 Cb 0.91 0.63 0.02 0.00 -2.01 0.00 0.00 31.29 30.85 2wni h VAL 265 CO -0.45 0.20 -0.91 0.25 -1.01 0.00 0.00 177.57 175.65 2wni h LEU 266 N 0.63 0.58 -0.37 3.16 5.85 -1.17 -1.96 115.31 122.03 2wni h LEU 266 Ca 0.15 -0.90 -0.01 0.00 0.84 0.00 0.00 57.88 57.97 2wni h LEU 266 Cb 0.12 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2wni h LEU 266 CO -0.02 1.43 0.18 0.25 -0.34 0.00 0.00 178.44 179.94 2wni h LEU 267 N -0.18 0.48 -1.46 2.25 5.85 -0.99 0.17 115.31 121.43 2wni h LEU 267 Ca -0.15 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.42 2wni h LEU 267 Cb 1.68 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.57 2wni h LEU 267 CO 0.17 0.46 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.59 2wni h ASN 268 N 0.46 0.31 0.29 1.25 -1.24 -1.05 0.39 115.58 116.00 2wni h ASN 268 Ca 0.13 -0.04 -0.13 0.00 0.71 0.00 0.00 56.30 56.96 2wni h ASN 268 Cb 0.10 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 2wni h ASN 268 CO -0.02 0.38 -0.52 0.00 -1.29 0.00 0.00 177.43 175.98 2wni h ALA 269 N 1.67 0.95 -0.02 1.57 0.00 -0.51 -1.25 119.26 121.67 2wni h ALA 269 Ca 0.08 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2wni h ALA 269 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wni h ALA 269 CO 0.01 0.67 -0.23 0.52 0.00 0.00 0.00 179.25 180.21 2wni h MET 270 N 0.20 0.19 -0.67 0.00 2.86 0.24 -0.81 114.93 116.95 2wni h MET 270 Ca 0.01 -0.18 0.07 0.00 -2.06 0.00 0.00 59.70 57.53 2wni h MET 270 Cb 0.98 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.63 2wni h MET 270 CO 0.08 0.87 0.35 -0.07 1.06 0.00 0.00 176.91 179.21 2wni h LEU 271 N -0.42 0.50 -1.76 1.22 3.38 -0.44 -0.30 115.31 117.50 2wni h LEU 271 Ca -0.02 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2wni h LEU 271 Cb 0.94 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.63 2wni h LEU 271 CO 0.05 0.31 -0.15 0.44 0.09 0.00 0.00 178.44 179.18 2wni h ASP 272 N 0.64 0.00 0.77 -0.43 3.32 -1.15 -2.42 116.42 117.15 2wni h ASP 272 Ca 0.31 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.24 2wni h ASP 272 Cb 0.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2wni h ASP 272 CO -0.21 0.15 -0.56 1.23 -1.72 0.00 0.00 179.24 178.13 2wni h GLY 273 N 0.54 0.00 0.52 2.75 0.00 0.45 -3.06 103.07 104.27 2wni h GLY 273 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wni h GLY 273 CO 0.02 0.00 -0.87 1.55 0.00 0.00 0.00 176.54 177.24 2wni n VAL 274 N -3.64 0.06 -2.14 4.60 3.14 -0.81 -4.81 118.33 114.73 2wni n VAL 274 Ca -0.01 -0.10 -0.35 0.00 -2.96 0.00 0.00 64.34 60.92 2wni n VAL 274 Cb 0.61 0.46 0.02 0.00 -1.06 0.00 0.00 33.84 33.87 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 -3.08 3.17 0.81 1.45 1.02 -1.00 -4.84 119.74 117.27 2wni s LYS 275 Ca 0.07 1.70 -0.13 0.00 0.02 0.00 0.00 55.97 57.63 2wni s LYS 275 Cb 0.16 -1.97 0.08 0.00 -0.52 0.00 0.00 37.83 35.58 2wni s LYS 275 CO 0.79 -1.02 1.16 -2.30 -0.92 0.00 0.00 175.35 173.07 2wni n PRO 276 N -1.45 0.18 -1.68 -1.68 -0.02 -1.26 -2.89 135.00 126.20 2wni n PRO 276 Ca 0.12 0.14 -0.14 0.00 -2.02 0.00 0.00 63.50 61.61 2wni n PRO 276 Cb 0.50 -2.41 -0.04 0.00 -0.02 0.00 0.00 33.50 31.54 2wni n PRO 276 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wni n GLU 277 N -3.15 -0.99 -1.85 -0.52 -0.58 -1.26 -4.98 120.64 107.30 2wni n GLU 277 Ca 0.13 0.87 -0.34 0.00 -0.42 0.00 0.00 57.16 57.41 2wni n GLU 277 Cb 0.50 -5.01 0.04 0.00 -0.57 0.00 0.00 31.44 26.40 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 -2.56 2.50 -0.13 0.62 0.00 -1.14 -5.06 121.76 115.99 2wni s ALA 278 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.62 2wni s ALA 278 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 2wni s ALA 278 CO 0.00 -1.20 -0.21 0.45 0.00 0.00 0.00 175.76 174.81 2wni s SER 279 N -2.35 2.95 0.89 0.00 0.15 -1.26 -3.71 113.70 110.37 2wni s SER 279 Ca 0.69 -0.56 -0.13 0.00 0.70 0.00 0.00 55.95 56.65 2wni s SER 279 Cb -0.22 -1.36 0.13 0.00 -1.71 0.00 0.00 66.02 62.86 2wni s SER 279 CO 0.38 0.07 1.21 -2.16 1.20 0.00 0.00 173.24 173.95 2wni s PRO 280 N 0.80 1.32 -0.68 5.44 0.04 -1.26 -4.48 135.00 136.17 2wni s PRO 280 Ca -0.08 -0.01 -0.23 0.00 0.04 0.00 0.00 61.00 60.72 2wni s PRO 280 Cb -0.16 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.56 2wni s PRO 280 CO -0.01 -2.02 1.02 1.21 0.04 0.00 0.00 177.00 177.25 2wni s ASN 281 N -4.54 6.18 0.06 6.66 3.84 -1.24 -4.99 114.94 120.91 2wni s ASN 281 Ca 0.66 -0.92 -0.03 0.00 0.21 0.00 0.00 52.86 52.78 2wni s ASN 281 Cb -0.10 -2.44 -0.03 0.00 -0.55 0.00 0.00 41.25 38.13 2wni s ASN 281 CO 0.51 -1.50 0.02 0.68 -2.79 0.00 0.00 177.10 174.02 2wni s VAL 282 N 4.33 0.20 0.03 -5.21 -7.23 -1.26 -4.49 120.40 106.77 2wni s VAL 282 Ca 0.25 -1.67 0.10 0.00 -1.81 0.00 0.00 61.98 58.85 2wni s VAL 282 Cb -0.15 -1.47 -0.11 0.00 0.56 0.00 0.00 36.38 35.21 2wni s VAL 282 CO 0.11 -0.92 1.35 0.03 -0.31 0.00 0.00 175.10 175.35 2wni h ARG 283 N 3.08 0.00 -3.37 4.82 2.47 0.20 -3.44 114.38 118.14 2wni h ARG 283 Ca -0.34 0.00 -0.46 0.00 -1.26 0.00 0.00 59.98 57.92 2wni h ARG 283 Cb 1.15 0.00 -0.40 0.00 -1.65 0.00 0.00 29.97 29.07 2wni h ARG 283 CO 0.64 0.82 -0.76 -0.46 0.56 0.00 0.00 179.97 180.77 2wni s TRP 284 N -2.82 0.54 -0.32 3.04 -0.00 -0.21 -0.88 118.94 118.30 2wni s TRP 284 Ca 0.02 -0.40 -0.12 0.00 -0.00 0.00 0.00 56.10 55.60 2wni s TRP 284 Cb 0.09 -0.80 -0.02 0.00 -0.00 0.00 0.00 33.47 32.74 2wni s TRP 284 CO 0.79 -0.47 0.21 -1.17 -0.00 0.00 0.00 176.95 176.31 2wni s LEU 285 N 2.02 4.31 -0.22 5.86 2.96 0.99 -1.84 118.68 132.76 2wni s LEU 285 Ca 0.02 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 2wni s LEU 285 Cb -0.15 -2.11 0.00 0.00 0.50 0.00 0.00 46.19 44.43 2wni s LEU 285 CO -0.07 -0.18 -0.08 -0.22 -1.32 0.00 0.00 176.35 174.48 2wni s LEU 286 N 1.71 2.80 -0.16 -0.68 2.96 -0.09 -1.32 118.68 123.91 2wni s LEU 286 Ca 0.06 -0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 53.42 2wni s LEU 286 Cb -0.17 -1.68 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 2wni s LEU 286 CO 0.10 -0.04 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.26 2wni s LEU 287 N 1.42 3.01 -0.18 -0.68 1.43 0.96 -0.06 118.68 124.57 2wni s LEU 287 Ca 0.05 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 2wni s LEU 287 Cb -0.14 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.37 2wni s LEU 287 CO -0.05 0.13 -0.16 -0.69 0.23 0.00 0.00 176.35 175.81 2wni s VAL 288 N 0.56 2.45 0.00 -1.59 1.01 -0.39 -0.69 120.40 121.75 2wni s VAL 288 Ca -0.05 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2wni s VAL 288 Cb -0.15 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.19 2wni s VAL 288 CO 0.03 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.64 2wni n ALA 289 N 4.47 0.00 -2.56 5.51 0.00 -0.36 0.02 120.51 127.60 2wni n ALA 289 Ca -0.20 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 2wni n ALA 289 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 0.15 2.51 0.40 0.00 3.76 -1.26 -1.83 115.29 119.02 2wni s HIS 290 Ca 0.00 -0.30 0.15 0.00 -0.15 0.00 0.00 55.06 54.76 2wni s HIS 290 Cb 0.00 -1.15 1.00 0.00 1.11 0.00 0.00 32.58 33.54 2wni s HIS 290 CO 0.00 0.64 1.87 0.38 -0.85 0.00 0.00 174.74 176.78 2wni h ASP 291 N 2.03 0.48 -0.89 1.40 3.04 -1.92 -0.46 116.42 120.10 2wni h ASP 291 Ca -0.42 0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 53.39 2wni h ASP 291 Cb 1.25 -0.05 -0.04 0.00 -1.04 0.00 0.00 39.33 39.45 2wni h ASP 291 CO 0.61 0.22 0.51 0.71 -2.04 0.00 0.00 179.24 179.25 2wni h THR 292 N 0.49 1.25 -0.87 1.15 1.35 -1.99 0.66 112.91 114.95 2wni h THR 292 Ca 0.44 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 2wni h THR 292 Cb 0.97 0.03 -0.04 0.00 -1.73 0.00 0.00 68.15 67.38 2wni h THR 292 CO -0.18 0.28 0.55 0.78 -0.25 0.00 0.00 175.52 176.70 2wni h ASN 293 N 1.24 1.02 -0.01 5.36 4.21 -1.47 -0.67 115.58 125.26 2wni h ASN 293 Ca 0.32 -0.05 -0.16 0.00 1.21 0.00 0.00 56.30 57.62 2wni h ASN 293 Cb -0.00 -0.26 -0.01 0.00 -1.12 0.00 0.00 38.32 36.93 2wni h ASN 293 CO -0.05 0.76 -0.53 0.40 -1.29 0.00 0.00 177.43 176.72 2wni h ILE 294 N 1.18 1.31 -0.44 2.81 2.04 -0.41 -1.28 117.51 122.73 2wni h ILE 294 Ca 0.31 -1.76 -0.14 0.00 1.00 0.00 0.00 64.86 64.27 2wni h ILE 294 Cb -0.09 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2wni h ILE 294 CO -0.06 0.55 -0.28 0.00 0.00 0.00 0.00 178.15 178.35 2wni h ALA 295 N 0.96 0.62 -0.48 1.87 0.00 -0.46 0.08 119.26 121.85 2wni h ALA 295 Ca 0.01 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2wni h ALA 295 Cb 1.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2wni h ALA 295 CO 0.10 0.66 -0.06 0.52 0.00 0.00 0.00 179.25 180.47 2wni h MET 296 N 0.80 0.89 -0.37 0.00 2.86 -0.74 -1.91 114.93 116.46 2wni h MET 296 Ca 0.09 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.39 2wni h MET 296 Cb 0.87 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.45 2wni h MET 296 CO 0.08 0.95 0.12 0.28 1.06 0.00 0.00 176.91 179.41 2wni h VAL 297 N 0.74 1.21 -0.02 -2.22 2.07 -0.87 -1.84 116.25 115.31 2wni h VAL 297 Ca 0.13 -0.66 -0.11 0.00 0.82 0.00 0.00 66.70 66.88 2wni h VAL 297 Cb 0.59 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2wni h VAL 297 CO 0.04 0.23 -0.49 0.08 0.02 0.00 0.00 177.57 177.44 2wni h ARG 298 N 0.44 0.05 -0.77 1.57 -0.00 -0.83 -1.02 114.38 113.83 2wni h ARG 298 Ca 0.12 -0.03 -0.03 0.00 -0.00 0.00 0.00 59.98 60.04 2wni h ARG 298 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 29.97 30.17 2wni h ARG 298 CO -0.01 0.54 0.36 1.15 -0.00 0.00 0.00 179.97 182.01 2wni h THR 299 N 0.04 1.25 -0.29 0.08 2.02 -1.13 -0.37 112.91 114.50 2wni h THR 299 Ca -0.00 -0.72 -0.10 0.00 0.77 0.00 0.00 66.41 66.36 2wni h THR 299 Cb 0.89 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.58 2wni h THR 299 CO 0.07 0.30 -0.23 -0.07 0.37 0.00 0.00 175.52 175.95 2wni h LEU 300 N 1.10 0.56 -0.25 2.58 3.38 -0.49 -0.78 115.31 121.41 2wni h LEU 300 Ca 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wni h LEU 300 Cb 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wni h LEU 300 CO -0.03 0.79 0.00 0.23 0.09 0.00 0.00 178.44 179.52 2wni n MET 301 N -4.12 0.11 -3.29 1.13 2.81 -0.47 -4.43 117.12 108.86 2wni n MET 301 Ca -0.00 0.27 -0.24 0.00 -1.81 0.00 0.00 57.70 55.92 2wni n MET 301 Cb 0.41 -1.68 0.02 0.00 -0.71 0.00 0.00 33.22 31.25 2wni n MET 301 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wni n ASN 302 N -1.89 -5.06 -4.29 7.83 4.05 -0.30 -4.85 115.26 110.74 2wni n ASN 302 Ca 0.04 -0.40 -0.39 0.00 0.45 0.00 0.00 54.58 54.27 2wni n ASN 302 Cb 0.26 -4.10 -0.11 0.00 1.23 0.00 0.00 39.78 37.06 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 -3.11 3.30 -0.12 1.20 5.36 -0.27 -5.03 117.98 119.32 2wni s PHE 303 Ca 0.40 -1.38 -0.04 0.00 -0.96 0.00 0.00 56.93 54.95 2wni s PHE 303 Cb -0.20 -2.64 -0.04 0.00 -0.34 0.00 0.00 43.02 39.81 2wni s PHE 303 CO 0.50 -0.77 0.03 0.45 -1.46 0.00 0.00 175.22 173.97 2wni s SER 304 N 1.77 5.45 0.13 6.13 0.15 -1.26 -4.66 113.70 121.40 2wni s SER 304 Ca 0.01 0.15 0.01 0.00 0.70 0.00 0.00 55.95 56.83 2wni s SER 304 Cb -0.21 -1.69 -0.04 0.00 -1.71 0.00 0.00 66.02 62.36 2wni s SER 304 CO 0.03 0.32 -0.02 -1.66 1.20 0.00 0.00 173.24 173.12 2wni s TRP 305 N -0.53 0.98 -0.20 3.44 -2.14 -1.26 -5.00 118.94 114.24 2wni s TRP 305 Ca 0.10 -1.02 -0.04 0.00 2.66 0.00 0.00 56.10 57.80 2wni s TRP 305 Cb -0.12 -0.57 0.09 0.00 -3.10 0.00 0.00 33.47 29.78 2wni s TRP 305 CO 0.02 -0.25 0.24 -1.14 -2.66 0.00 0.00 176.95 173.16 2wni s GLN 306 N -3.91 0.20 -0.00 3.25 0.74 -1.26 0.26 119.66 118.94 2wni s GLN 306 Ca 0.18 0.31 -0.04 0.00 0.05 0.00 0.00 55.36 55.86 2wni s GLN 306 Cb 0.06 -0.98 -0.04 0.00 1.10 0.00 0.00 33.01 33.15 2wni s GLN 306 CO -0.01 -0.61 0.21 -0.51 -0.55 0.00 0.00 175.29 173.83 2wni s LEU 307 N 2.36 4.37 0.16 3.68 1.43 -1.26 -5.01 118.68 124.40 2wni s LEU 307 Ca 0.07 0.42 -0.34 0.00 -1.03 0.00 0.00 54.13 53.25 2wni s LEU 307 Cb -0.15 -2.64 -0.16 0.00 0.03 0.00 0.00 46.19 43.27 2wni s LEU 307 CO -0.12 0.26 1.27 -2.65 0.23 0.00 0.00 176.35 175.34 2wni n PRO 308 N 1.00 1.34 -0.82 1.29 -0.02 -1.26 -0.94 135.00 135.59 2wni n PRO 308 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2wni n PRO 308 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 2.28 0.78 3.31 -1.23 0.00 -1.26 -4.89 105.19 104.17 2wni n GLY 309 Ca 0.16 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.95 1.50 0.48 1.61 2.02 -0.11 -4.54 117.35 115.36 2wni s TYR 310 Ca 0.00 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 55.83 2wni s TYR 310 Cb 0.00 -0.87 0.02 0.00 -0.40 0.00 0.00 41.96 40.72 2wni s TYR 310 CO 0.00 -0.08 0.52 -1.54 -1.57 0.00 0.00 175.55 172.88 2wni s SER 311 N -3.28 5.10 0.19 2.29 1.04 -1.26 -4.56 113.70 113.21 2wni s SER 311 Ca 0.28 -0.81 -0.33 0.00 0.48 0.00 0.00 55.95 55.57 2wni s SER 311 Cb 0.06 -0.18 -0.13 0.00 0.10 0.00 0.00 66.02 65.87 2wni s SER 311 CO 0.08 -0.93 1.60 -1.14 0.98 0.00 0.00 173.24 173.82 2wni n ARG 312 N -1.82 2.34 -0.87 4.02 0.63 -1.26 -1.60 116.66 118.10 2wni n ARG 312 Ca 0.06 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.83 2wni n ARG 312 Cb 0.62 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.91 2wni n ARG 312 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wni n GLY 313 N 3.31 0.83 3.77 5.14 0.00 0.14 -4.71 105.19 113.67 2wni n GLY 313 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.73 6.48 -0.54 1.61 3.84 -0.62 -4.97 114.94 118.01 2wni s ASN 314 Ca 0.00 2.72 0.00 0.00 0.21 0.00 0.00 52.86 55.80 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 -0.74 0.32 -0.63 -2.79 0.00 0.00 177.10 173.26 2wni s ILE 315 N -1.20 3.13 0.73 -5.21 1.01 -1.26 -4.96 121.20 113.43 2wni s ILE 315 Ca 0.53 -2.97 -0.12 0.00 0.00 0.00 0.00 60.65 58.09 2wni s ILE 315 Cb -0.40 -3.11 0.03 0.00 0.01 0.00 0.00 42.46 39.00 2wni s ILE 315 CO 0.52 -0.81 1.10 -2.84 0.00 0.00 0.00 174.94 172.91 2wni s PRO 316 N 0.03 2.48 0.30 2.79 0.02 -1.26 -4.91 135.00 134.44 2wni s PRO 316 Ca 0.16 1.26 -0.29 0.00 0.02 0.00 0.00 61.00 62.14 2wni s PRO 316 Cb -0.23 -1.92 -0.13 0.00 0.02 0.00 0.00 34.50 32.25 2wni s PRO 316 CO -0.03 -1.48 1.30 -0.35 -0.33 0.00 0.00 177.00 176.11 2wni n PRO 317 N -3.08 2.00 -1.09 5.54 -0.04 -1.26 -1.59 135.00 135.48 2wni n PRO 317 Ca 0.10 0.70 -0.03 0.00 -0.04 0.00 0.00 63.50 64.23 2wni n PRO 317 Cb 0.53 -2.29 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 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 1.34 0.50 3.94 0.55 0.00 0.67 -4.82 105.19 107.37 2wni n GLY 318 Ca 0.08 -0.13 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.23 4.12 0.03 1.61 1.04 -0.62 -4.75 113.70 112.89 2wni s SER 319 Ca 0.00 0.23 -0.27 0.00 0.48 0.00 0.00 55.95 56.38 2wni s SER 319 Cb 0.00 -0.60 0.08 0.00 0.10 0.00 0.00 66.02 65.60 2wni s SER 319 CO 0.00 -2.06 0.71 -0.94 0.98 0.00 0.00 173.24 171.93 2wni s SER 320 N -4.70 -0.55 -0.14 7.02 1.04 -0.53 -0.82 113.70 115.01 2wni s SER 320 Ca 0.66 0.30 -0.03 0.00 0.48 0.00 0.00 55.95 57.36 2wni s SER 320 Cb -0.07 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2wni s SER 320 CO 0.48 -0.73 -0.04 -0.22 0.98 0.00 0.00 173.24 173.71 2wni s LEU 321 N -1.99 3.26 -0.02 2.42 0.20 0.01 -0.89 118.68 121.68 2wni s LEU 321 Ca -0.03 -0.10 0.03 0.00 0.69 0.00 0.00 54.13 54.72 2wni s LEU 321 Cb -0.01 -1.78 -0.00 0.00 -0.43 0.00 0.00 46.19 43.97 2wni s LEU 321 CO -0.03 0.20 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.42 2wni s VAL 322 N 0.20 0.95 -0.20 1.68 1.01 -0.21 -0.53 120.40 123.30 2wni s VAL 322 Ca -0.02 -0.49 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 2wni s VAL 322 Cb -0.14 -0.81 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 2wni s VAL 322 CO 0.03 0.28 -0.09 -0.76 0.00 0.00 0.00 175.10 174.55 2wni s LEU 323 N -0.10 2.68 -0.07 3.92 1.43 0.20 -1.79 118.68 124.95 2wni s LEU 323 Ca 0.01 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 2wni s LEU 323 Cb -0.07 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.48 2wni s LEU 323 CO 0.00 0.01 -0.14 -1.61 0.23 0.00 0.00 176.35 174.84 2wni s GLU 324 N 1.26 2.69 -0.26 1.70 2.02 0.82 -0.99 118.70 125.95 2wni s GLU 324 Ca 0.03 -0.70 -0.09 0.00 0.02 0.00 0.00 54.97 54.23 2wni s GLU 324 Cb -0.14 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2wni s GLU 324 CO -0.04 0.53 0.12 0.50 0.02 0.00 0.00 175.26 176.39 2wni s ARG 325 N -0.48 3.79 0.27 1.61 3.52 0.19 0.33 118.95 128.19 2wni s ARG 325 Ca 0.06 -0.40 0.10 0.00 -0.13 0.00 0.00 55.73 55.36 2wni s ARG 325 Cb -0.12 -3.47 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2wni s ARG 325 CO 0.02 -0.18 -0.05 -1.58 -0.81 0.00 0.00 175.30 172.70 2wni s TRP 326 N 1.66 2.61 -0.04 5.12 0.52 0.86 -0.23 118.94 129.43 2wni s TRP 326 Ca 0.07 -0.25 0.02 0.00 0.02 0.00 0.00 56.10 55.95 2wni s TRP 326 Cb -0.15 -1.15 0.02 0.00 -1.15 0.00 0.00 33.47 31.03 2wni s TRP 326 CO 0.07 0.64 -0.07 0.50 0.02 0.00 0.00 176.95 178.11 2wni s ARG 327 N -3.64 0.99 -0.22 4.98 3.52 -0.64 0.05 118.95 123.99 2wni s ARG 327 Ca 0.31 -0.21 -0.29 0.00 -0.13 0.00 0.00 55.73 55.42 2wni s ARG 327 Cb -0.06 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.38 2wni s ARG 327 CO 0.19 -0.01 1.58 0.34 -0.81 0.00 0.00 175.30 176.59 2wni s ASP 328 N 0.66 6.43 0.15 -2.12 -1.08 -0.23 -1.76 116.67 118.73 2wni s ASP 328 Ca -0.10 1.62 -0.17 0.00 -0.52 0.00 0.00 52.55 53.38 2wni s ASP 328 Cb -0.13 -2.53 0.05 0.00 -1.46 0.00 0.00 42.92 38.85 2wni s ASP 328 CO 0.01 -1.21 1.72 0.00 0.52 0.00 0.00 175.17 176.21 2wni h ALA 329 N 10.48 0.31 -3.00 3.66 0.00 -1.70 0.07 119.26 129.07 2wni h ALA 329 Ca -0.33 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wni h ALA 329 Cb 1.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wni h ALA 329 CO 1.00 -0.38 0.00 1.17 0.00 0.00 0.00 179.25 181.04 2wni n LYS 330 N -5.14 0.00 0.03 0.00 4.81 -1.26 -3.94 118.16 112.66 2wni n LYS 330 Ca 0.01 0.10 0.08 0.00 -0.87 0.00 0.00 58.31 57.62 2wni n LYS 330 Cb 0.16 -0.76 0.35 0.00 0.02 0.00 0.00 35.03 34.80 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 -0.35 0.14 0.00 3.14 3.41 -1.24 -4.88 113.62 113.85 2wni n SER 331 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 2wni n SER 331 Cb 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.38 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 -0.00 0.27 3.77 5.00 0.00 0.01 -4.98 105.19 109.26 2wni n GLY 332 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.79 4.04 0.08 1.61 2.02 -1.26 -4.69 118.70 119.72 2wni s GLU 333 Ca 0.00 1.91 -0.12 0.00 0.02 0.00 0.00 54.97 56.78 2wni s GLU 333 Cb 0.00 -2.70 -0.06 0.00 0.10 0.00 0.00 34.13 31.47 2wni s GLU 333 CO 0.00 -0.35 0.44 1.03 0.02 0.00 0.00 175.26 176.40 2wni s ARG 334 N -2.27 3.85 0.16 1.61 0.52 -1.26 -1.06 118.95 120.49 2wni s ARG 334 Ca 0.57 0.30 0.02 0.00 -0.52 0.00 0.00 55.73 56.10 2wni s ARG 334 Cb -0.32 -3.03 -0.05 0.00 0.52 0.00 0.00 34.95 32.07 2wni s ARG 334 CO 0.41 0.57 -0.03 0.71 0.02 0.00 0.00 175.30 176.98 2wni s TYR 335 N -1.35 1.18 -0.07 -0.53 1.51 0.11 -1.56 117.35 116.65 2wni s TYR 335 Ca 0.32 -0.94 0.03 0.00 -1.01 0.00 0.00 57.07 55.47 2wni s TYR 335 Cb -0.15 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.02 2wni s TYR 335 CO 0.17 -0.13 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.14 2wni s LEU 336 N -3.16 2.57 -0.07 -1.29 2.96 0.86 -0.10 118.68 120.45 2wni s LEU 336 Ca 0.21 -0.30 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2wni s LEU 336 Cb 0.05 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2wni s LEU 336 CO 0.02 0.29 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.59 2wni s ARG 337 N -0.38 2.74 -0.04 1.98 3.52 0.15 -0.84 118.95 126.09 2wni s ARG 337 Ca 0.04 -0.71 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 2wni s ARG 337 Cb -0.12 -2.43 0.01 0.00 -1.56 0.00 0.00 34.95 30.85 2wni s ARG 337 CO 0.02 0.50 -0.08 0.08 -0.81 0.00 0.00 175.30 175.01 2wni s VAL 338 N -0.40 0.74 0.16 7.11 1.01 -1.26 -0.12 120.40 127.63 2wni s VAL 338 Ca 0.04 -0.30 -0.22 0.00 0.00 0.00 0.00 61.98 61.50 2wni s VAL 338 Cb -0.12 -0.69 0.06 0.00 0.00 0.00 0.00 36.38 35.63 2wni s VAL 338 CO 0.02 0.25 0.57 -0.72 0.00 0.00 0.00 175.10 175.22 2wni s TYR 339 N 0.44 -0.48 -0.01 5.22 1.13 -0.74 -0.30 117.35 122.61 2wni s TYR 339 Ca -0.07 0.25 0.03 0.00 -1.41 0.00 0.00 57.07 55.87 2wni s TYR 339 Cb -0.11 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.23 2wni s TYR 339 CO 0.01 -0.83 -0.10 0.12 -2.51 0.00 0.00 175.55 172.24 2wni s PHE 340 N -3.76 2.81 0.06 -3.49 5.36 0.30 -1.05 117.98 118.22 2wni s PHE 340 Ca 0.01 -0.08 0.02 0.00 -0.96 0.00 0.00 56.93 55.92 2wni s PHE 340 Cb -0.01 -1.61 -0.03 0.00 -0.34 0.00 0.00 43.02 41.03 2wni s PHE 340 CO -0.12 0.32 -0.07 1.14 -1.46 0.00 0.00 175.22 175.02 2wni s GLN 341 N -1.20 0.64 0.18 10.12 -2.07 -0.07 -1.43 119.66 125.84 2wni s GLN 341 Ca 0.15 -1.01 -0.24 0.00 -1.82 0.00 0.00 55.36 52.45 2wni s GLN 341 Cb -0.11 -0.21 0.05 0.00 -1.09 0.00 0.00 33.01 31.65 2wni s GLN 341 CO 0.05 0.01 0.81 0.00 -1.32 0.00 0.00 175.29 174.84 2wni s ALA 342 N -2.41 -1.50 0.16 2.60 0.00 -0.57 -1.45 121.76 118.59 2wni s ALA 342 Ca -0.01 0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.09 2wni s ALA 342 Cb -0.03 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 2wni s ALA 342 CO -0.02 -0.96 0.28 -0.65 0.00 0.00 0.00 175.76 174.40 2wni s GLN 343 N -3.57 3.39 0.83 0.00 -0.21 -1.26 -0.05 119.66 118.79 2wni s GLN 343 Ca 0.09 -0.64 -0.11 0.00 0.02 0.00 0.00 55.36 54.73 2wni s GLN 343 Cb -0.03 -2.93 0.12 0.00 1.00 0.00 0.00 33.01 31.17 2wni s GLN 343 CO 0.01 0.51 1.17 0.20 -2.12 0.00 0.00 175.29 175.06 2wni s GLY 344 N -3.28 1.70 0.10 3.09 0.00 -1.26 -4.82 107.32 102.85 2wni s GLY 344 Ca 0.34 -1.01 -0.25 0.00 0.00 0.00 0.00 44.72 43.80 2wni s GLY 344 CO 0.28 -0.44 1.69 1.41 0.00 0.00 0.00 173.10 176.04 2wni h LEU 345 N -1.10 -0.33 -0.79 0.66 3.38 -1.90 -1.73 115.31 113.50 2wni h LEU 345 Ca -0.44 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 2wni h LEU 345 Cb 1.29 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.14 2wni h LEU 345 CO 0.52 -0.19 -0.52 0.44 0.09 0.00 0.00 178.44 178.79 2wni h ASP 346 N -0.27 0.00 -0.64 -0.43 3.32 -1.96 -2.04 116.42 114.41 2wni h ASP 346 Ca 0.01 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2wni h ASP 346 Cb 0.26 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 2wni h ASP 346 CO -0.04 0.52 0.13 0.44 -1.72 0.00 0.00 179.24 178.57 2wni h ASP 347 N 0.00 1.00 -0.02 6.45 3.32 -1.78 0.90 116.42 126.29 2wni h ASP 347 Ca -0.01 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 56.82 2wni h ASP 347 Cb 1.04 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 2wni h ASP 347 CO 0.07 0.98 0.01 -0.07 -1.72 0.00 0.00 179.24 178.51 2wni h LEU 348 N 1.00 0.03 -1.37 1.55 3.38 -1.18 0.18 115.31 118.90 2wni h LEU 348 Ca 0.20 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wni h LEU 348 Cb 0.39 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2wni h LEU 348 CO 0.01 0.21 0.44 -0.09 0.09 0.00 0.00 178.44 179.10 2wni h ARG 349 N -0.14 0.82 -0.34 1.13 2.43 -1.11 -1.20 114.38 115.96 2wni h ARG 349 Ca 0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2wni h ARG 349 Cb 0.19 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2wni h ARG 349 CO -0.00 0.54 0.00 0.54 -1.51 0.00 0.00 179.97 179.54 2wni n ARG 350 N -4.45 2.19 -3.00 0.20 1.74 0.29 -4.43 116.66 109.20 2wni n ARG 350 Ca 0.08 -1.81 -0.17 0.00 -0.77 0.00 0.00 57.85 55.18 2wni n ARG 350 Cb 0.10 -1.45 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 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 1.01 -1.08 -4.66 0.55 4.77 -0.32 -4.86 117.00 112.42 2wni n LEU 351 Ca 0.18 -0.10 -0.48 0.00 -0.03 0.00 0.00 56.01 55.58 2wni n LEU 351 Cb 0.48 -1.88 -0.05 0.00 -2.33 0.00 0.00 43.42 39.65 2wni n LEU 351 CO 0.14 0.04 1.17 1.67 -1.33 0.00 0.00 177.39 179.08 2wni n GLN 352 N -3.24 1.94 -2.98 3.23 -0.06 0.47 -4.94 117.38 111.79 2wni n GLN 352 Ca -0.04 0.70 -0.41 0.00 -2.00 0.00 0.00 57.00 55.25 2wni n GLN 352 Cb 0.55 -2.45 -0.05 0.00 -4.06 0.00 0.00 30.24 24.23 2wni n GLN 352 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2wni s THR 353 N 1.20 4.95 0.16 1.69 -1.32 -1.26 -4.89 115.64 116.17 2wni s THR 353 Ca 0.82 1.47 -0.31 0.00 -1.21 0.00 0.00 61.69 62.46 2wni s THR 353 Cb -0.74 -4.07 -0.09 0.00 -1.51 0.00 0.00 72.50 66.09 2wni s THR 353 CO 0.42 0.10 1.48 -2.16 -2.21 0.00 0.00 174.62 172.25 2wni s PRO 354 N 1.80 4.26 0.23 7.08 0.04 -1.26 -4.86 135.00 142.29 2wni s PRO 354 Ca 0.36 2.25 -0.12 0.00 0.04 0.00 0.00 61.00 63.52 2wni s PRO 354 Cb -0.17 -3.18 0.05 0.00 0.04 0.00 0.00 34.50 31.24 2wni s PRO 354 CO 0.13 -0.52 0.61 -0.40 0.04 0.00 0.00 177.00 176.86 2wni n ASP 355 N 3.74 -1.47 -0.20 6.66 5.68 -1.06 -4.94 116.55 124.95 2wni n ASP 355 Ca 0.12 -1.95 0.01 0.00 -0.50 0.00 0.00 54.79 52.47 2wni n ASP 355 Cb 0.40 2.43 0.12 0.00 -1.14 0.00 0.00 41.12 42.93 2wni n ASP 355 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wni h ALA 356 N 2.00 0.76 0.00 2.12 0.00 -1.99 0.24 119.26 122.39 2wni h ALA 356 Ca -0.22 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2wni h ALA 356 Cb 0.85 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.78 2wni h ALA 356 CO 0.28 -0.27 0.00 0.37 0.00 0.00 0.00 179.25 179.64 2wni h GLN 357 N 0.32 0.00 -2.00 0.00 4.15 -1.97 -3.37 115.11 112.23 2wni h GLN 357 Ca 0.32 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 59.23 2wni h GLN 357 Cb 0.46 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 27.75 2wni h GLN 357 CO -0.37 0.00 -1.16 0.72 -1.93 0.00 0.00 178.83 176.09 2wni n HIS 358 N -2.56 0.04 -1.77 3.99 8.25 0.74 -5.13 115.22 118.79 2wni n HIS 358 Ca 0.03 -3.73 -0.32 0.00 -0.26 0.00 0.00 57.72 53.45 2wni n HIS 358 Cb 0.35 -0.40 0.03 0.00 1.12 0.00 0.00 29.99 31.10 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 -1.98 3.10 0.45 -0.41 0.04 -0.61 -2.56 135.00 133.03 2wni s PRO 359 Ca 0.38 1.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 2wni s PRO 359 Cb 0.28 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 2wni s PRO 359 CO -0.09 -0.97 1.38 -1.64 0.04 0.00 0.00 177.00 175.71 2wni s MET 360 N -4.65 3.72 0.51 4.56 -1.94 -1.26 -4.88 119.30 115.37 2wni s MET 360 Ca 0.60 2.31 -0.18 0.00 -1.71 0.00 0.00 55.69 56.72 2wni s MET 360 Cb -0.15 -2.65 -0.07 0.00 2.01 0.00 0.00 34.83 33.97 2wni s MET 360 CO 0.47 -0.75 1.01 -0.51 -0.01 0.00 0.00 175.02 175.23 2wni s LEU 361 N -2.71 3.70 -0.28 -0.03 1.43 0.93 -4.90 118.68 116.82 2wni s LEU 361 Ca 0.61 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 55.21 2wni s LEU 361 Cb -0.41 -4.53 0.09 0.00 0.03 0.00 0.00 46.19 41.36 2wni s LEU 361 CO 0.53 -0.74 0.80 -0.60 0.23 0.00 0.00 176.35 176.57 2wni s ARG 362 N -3.72 0.72 -0.04 1.70 3.52 -1.26 -1.51 118.95 118.36 2wni s ARG 362 Ca 0.63 0.92 0.02 0.00 -0.13 0.00 0.00 55.73 57.16 2wni s ARG 362 Cb -0.13 0.31 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 2wni s ARG 362 CO 0.27 -0.10 -0.06 -1.14 -0.81 0.00 0.00 175.30 173.46 2wni s GLN 363 N 0.58 0.84 0.08 5.12 0.74 -0.52 -4.99 119.66 121.51 2wni s GLN 363 Ca -0.01 -0.17 -0.10 0.00 0.05 0.00 0.00 55.36 55.13 2wni s GLN 363 Cb -0.05 -0.81 -0.06 0.00 1.10 0.00 0.00 33.01 33.19 2wni s GLN 363 CO -0.05 -0.01 0.40 -1.21 -0.55 0.00 0.00 175.29 173.88 2wni s GLU 364 N 0.61 3.76 0.42 1.67 2.02 -1.26 -0.54 118.70 125.38 2wni s GLU 364 Ca -0.08 0.18 -0.22 0.00 0.02 0.00 0.00 54.97 54.86 2wni s GLU 364 Cb -0.12 -2.99 -0.09 0.00 0.10 0.00 0.00 34.13 31.02 2wni s GLU 364 CO 0.00 0.56 1.01 -0.46 0.02 0.00 0.00 175.26 176.39 2wni s TRP 365 N -1.40 3.24 0.06 1.61 -0.00 0.58 -4.96 118.94 118.08 2wni s TRP 365 Ca 0.33 1.63 -0.08 0.00 -0.00 0.00 0.00 56.10 57.98 2wni s TRP 365 Cb -0.14 -3.01 -0.00 0.00 -0.00 0.00 0.00 33.47 30.32 2wni s TRP 365 CO 0.18 -0.45 0.18 -0.98 -0.00 0.00 0.00 176.95 175.87 2wni s ARG 366 N -2.85 0.74 0.22 5.86 1.70 -1.26 -4.60 118.95 118.76 2wni s ARG 366 Ca 0.61 -0.79 -0.12 0.00 -0.47 0.00 0.00 55.73 54.95 2wni s ARG 366 Cb -0.16 0.30 -0.00 0.00 -0.57 0.00 0.00 34.95 34.52 2wni s ARG 366 CO 0.21 -0.22 0.44 1.14 -1.08 0.00 0.00 175.30 175.79 2wni s GLN 367 N -3.13 1.44 0.30 3.89 -2.07 -1.26 -5.08 119.66 113.75 2wni s GLN 367 Ca -0.01 -1.20 -0.28 0.00 -1.82 0.00 0.00 55.36 52.05 2wni s GLN 367 Cb 0.02 0.45 -0.14 0.00 -1.09 0.00 0.00 33.01 32.25 2wni s GLN 367 CO -0.07 -0.59 1.09 -2.30 -1.32 0.00 0.00 175.29 172.10 2wni n PRO 368 N -0.34 1.55 0.00 9.60 -0.02 -1.26 -2.07 135.00 142.45 2wni n PRO 368 Ca -0.04 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2wni n PRO 368 Cb 0.62 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.15 2.31 3.80 -1.23 0.00 -1.26 -5.00 105.19 104.96 2wni n GLY 369 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.16 2.39 0.04 0.00 1.70 0.95 -4.94 118.95 115.93 2wni s ARG 371 Ca 0.65 -0.84 -0.31 0.00 -0.47 0.00 0.00 55.73 54.76 2wni s ARG 371 Cb -0.14 -2.20 -0.06 0.00 -0.57 0.00 0.00 34.95 31.98 2wni s ARG 371 CO 0.18 0.52 1.37 -1.14 -1.08 0.00 0.00 175.30 175.16 2wni s GLN 372 N -0.50 4.31 0.33 3.89 2.00 -1.26 -1.49 119.66 126.93 2wni s GLN 372 Ca 0.07 1.97 0.03 0.00 -2.00 0.00 0.00 55.36 55.43 2wni s GLN 372 Cb -0.11 -3.45 -0.04 0.00 0.80 0.00 0.00 33.01 30.20 2wni s GLN 372 CO 0.01 -0.49 0.11 0.95 -0.50 0.00 0.00 175.29 175.36 2wni s THR 373 N 1.85 0.71 0.56 -0.34 -4.23 -0.63 -4.98 115.64 108.57 2wni s THR 373 Ca 0.63 -2.00 0.41 0.00 -1.18 0.00 0.00 61.69 59.55 2wni s THR 373 Cb -0.33 -2.58 0.42 0.00 1.34 0.00 0.00 72.50 71.35 2wni s THR 373 CO 0.28 0.00 2.29 0.44 -0.54 0.00 0.00 174.62 177.09 2wni h ASP 374 N 2.11 0.00 -0.53 3.99 3.32 -2.04 -1.65 116.42 121.63 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 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2wni h ASP 374 CO 0.60 0.01 0.00 1.33 -1.72 0.00 0.00 179.24 179.46 2wni n VAL 375 N -3.20 0.90 0.00 -1.35 0.24 -1.26 -5.07 118.33 108.59 2wni n VAL 375 Ca -0.02 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.32 2wni n VAL 375 Cb 0.12 0.58 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 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 1.18 0.83 3.65 7.63 0.00 -0.62 -4.99 105.19 112.87 2wni n GLY 376 Ca 0.19 -2.28 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 -0.92 4.33 -0.07 2.61 2.01 -1.26 -1.61 115.64 120.74 2wni s THR 377 Ca 0.00 1.58 0.03 0.00 0.31 0.00 0.00 61.69 63.61 2wni s THR 377 Cb 0.00 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 2wni s THR 377 CO 0.00 -0.25 -0.14 -0.76 -0.69 0.00 0.00 174.62 172.77 2wni s LEU 378 N 3.67 2.70 -0.08 4.42 1.02 -0.56 -4.48 118.68 125.38 2wni s LEU 378 Ca 0.52 -0.24 0.04 0.00 0.02 0.00 0.00 54.13 54.47 2wni s LEU 378 Cb -0.19 -1.56 0.00 0.00 0.02 0.00 0.00 46.19 44.47 2wni s LEU 378 CO 0.15 0.30 -0.20 0.00 0.02 0.00 0.00 176.35 176.62 2wni n PRO 380 N 3.48 0.87 0.26 0.00 -0.02 -1.26 -0.10 135.00 138.23 2wni n PRO 380 Ca -0.20 0.31 -0.14 0.00 -2.02 0.00 0.00 63.50 61.45 2wni n PRO 380 Cb 0.53 -1.73 -0.08 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.87 -0.63 -0.53 6.00 3.57 -1.58 -1.73 116.94 124.90 2wni h PHE 381 Ca -0.42 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.13 2wni h PHE 381 Cb 1.37 0.21 -0.05 0.00 2.79 0.00 0.00 35.95 40.26 2wni h PHE 381 CO 0.52 -0.31 0.24 0.37 -2.23 0.00 0.00 178.31 176.91 2wni h GLN 382 N -0.96 0.45 0.00 1.11 5.75 -1.87 0.16 115.11 119.75 2wni h GLN 382 Ca -0.07 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.35 2wni h GLN 382 Cb 0.61 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 2wni h GLN 382 CO 0.11 0.30 -0.26 0.00 -2.65 0.00 0.00 178.83 176.33 2wni h ALA 383 N 1.32 1.10 -0.11 3.38 0.00 -1.91 -0.88 119.26 122.15 2wni h ALA 383 Ca 0.25 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 2wni h ALA 383 Cb 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wni h ALA 383 CO -0.20 0.32 -0.39 0.00 0.00 0.00 0.00 179.25 178.99 2wni h ALA 384 N 1.74 0.20 -0.31 0.00 0.00 -0.27 -1.70 119.26 118.93 2wni h ALA 384 Ca -0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2wni h ALA 384 Cb 0.69 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2wni h ALA 384 CO 0.03 0.29 -0.12 0.82 0.00 0.00 0.00 179.25 180.28 2wni h ILE 385 N 0.04 1.29 -0.31 0.00 1.08 -0.48 0.18 117.51 119.32 2wni h ILE 385 Ca -0.02 -1.20 0.04 0.00 -0.39 0.00 0.00 64.86 63.29 2wni h ILE 385 Cb 1.01 1.42 -0.04 0.00 -3.07 0.00 0.00 36.82 36.15 2wni h ILE 385 CO 0.08 0.39 0.06 0.74 -0.69 0.00 0.00 178.15 178.73 2wni h THR 386 N 0.39 0.86 -0.48 -0.27 2.02 -1.21 -1.08 112.91 113.14 2wni h THR 386 Ca 0.07 -0.06 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 2wni h THR 386 Cb 0.63 0.67 -0.02 0.00 -1.74 0.00 0.00 68.15 67.69 2wni h THR 386 CO 0.04 0.03 0.23 0.00 0.37 0.00 0.00 175.52 176.19 2wni h ALA 387 N 1.22 0.62 0.00 6.16 0.00 -0.46 -2.59 119.26 124.22 2wni h ALA 387 Ca 0.14 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wni h ALA 387 Cb 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wni h ALA 387 CO -0.19 0.18 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 2wni h LEU 388 N 0.63 0.00 -0.39 0.00 3.38 -0.21 -3.02 115.31 115.70 2wni h LEU 388 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2wni h LEU 388 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wni h LEU 388 CO -0.02 0.00 -0.78 0.61 0.09 0.00 0.00 178.44 178.34 2wni n GLY 389 N 0.00 -0.61 0.39 0.83 0.00 -0.45 -4.39 105.19 100.97 2wni n GLY 389 Ca 0.00 -0.61 0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 0.95 0.18 -0.02 1.61 4.15 -1.37 -2.26 115.11 118.35 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 0.60 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.25 2wni h GLN 390 CO 0.00 0.12 -0.22 0.54 -1.93 0.00 0.00 178.83 177.34 2wni n ARG 391 N -4.42 1.58 -1.65 1.69 1.74 -1.26 -4.93 116.66 109.40 2wni n ARG 391 Ca 0.12 -1.16 -0.45 0.00 -0.77 0.00 0.00 57.85 55.59 2wni n ARG 391 Cb 0.60 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 30.68 2wni n ARG 391 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2wni n ILE 392 N 0.37 1.09 -3.19 0.55 5.41 -0.85 -4.87 119.36 117.86 2wni n ILE 392 Ca 0.09 -0.27 -0.44 0.00 1.00 0.00 0.00 62.75 63.12 2wni n ILE 392 Cb 0.41 -1.35 -0.06 0.00 -0.71 0.00 0.00 39.64 37.92 2wni n ILE 392 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2wni s ASP 393 N 0.14 6.20 0.21 4.38 2.15 -1.26 -4.97 116.67 123.52 2wni s ASP 393 Ca 0.67 -1.12 -0.12 0.00 0.43 0.00 0.00 52.55 52.42 2wni s ASP 393 Cb -0.68 -2.27 0.27 0.00 -0.30 0.00 0.00 42.92 39.94 2wni s ASP 393 CO 0.52 -0.90 1.64 0.03 -0.17 0.00 0.00 175.17 176.28 2wni h ARG 394 N 9.00 0.04 0.00 4.34 2.47 -1.93 -0.21 114.38 128.08 2wni h ARG 394 Ca -0.28 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.43 2wni h ARG 394 Cb 1.10 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.41 2wni h ARG 394 CO 0.98 0.02 -0.05 -1.35 0.56 0.00 0.00 179.97 180.14 2wni h PRO 395 N 0.04 0.00 -0.55 0.04 0.11 -1.95 0.30 132.00 129.98 2wni h PRO 395 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 2wni h PRO 395 Cb 0.50 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.61 2wni h PRO 395 CO -0.62 0.05 0.00 0.43 -0.21 0.00 0.00 178.00 177.65 2wni n SER 396 N -3.29 2.68 -3.32 -2.05 7.64 -0.11 -4.51 113.62 110.66 2wni n SER 396 Ca -0.01 -2.20 -0.26 0.00 1.01 0.00 0.00 58.87 57.40 2wni n SER 396 Cb 0.22 -0.40 -0.07 0.00 -1.01 0.00 0.00 64.21 62.94 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 0.51 3.82 -1.75 -0.43 0.00 0.11 -2.98 120.51 119.78 2wni n ALA 397 Ca 0.14 -4.50 -0.36 0.00 0.00 0.00 0.00 53.44 48.71 2wni n ALA 397 Cb 0.50 -0.86 0.04 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.39 2.92 0.41 0.00 0.04 -1.26 -4.87 135.00 129.84 2wni s PRO 398 Ca 0.40 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 63.07 2wni s PRO 398 Cb 0.18 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.69 2wni s PRO 398 CO -0.04 -1.26 1.30 0.00 0.04 0.00 0.00 177.00 177.03 2wni s ALA 399 N -1.54 3.25 0.02 8.56 0.00 -1.26 -4.91 121.76 125.88 2wni s ALA 399 Ca 0.78 1.22 0.04 0.00 0.00 0.00 0.00 51.96 54.00 2wni s ALA 399 Cb -0.32 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.30 2wni s ALA 399 CO 0.35 -0.81 -0.13 0.14 0.00 0.00 0.00 175.76 175.31 2wni s VAL 400 N -1.27 1.01 -0.30 0.00 -7.23 -1.26 -5.07 120.40 106.28 2wni s VAL 400 Ca 0.57 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.61 2wni s VAL 400 Cb -0.38 -0.91 -0.01 0.00 0.56 0.00 0.00 36.38 35.64 2wni s VAL 400 CO 0.48 0.06 1.64 0.00 -0.31 0.00 0.00 175.10 176.97 2wni s ALA 401 N -0.69 3.07 0.37 1.32 0.00 -1.26 -4.89 121.76 119.69 2wni s ALA 401 Ca 0.02 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.27 2wni s ALA 401 Cb -0.07 -3.93 0.72 0.00 0.00 0.00 0.00 23.12 19.84 2wni s ALA 401 CO 0.01 -2.30 2.02 1.98 0.00 0.00 0.00 175.76 177.47 2wni h MET 402 N 11.51 0.70 -6.13 0.00 4.05 -1.98 -3.39 114.93 119.69 2wni h MET 402 Ca -0.32 -0.05 -0.60 0.00 -0.28 0.00 0.00 59.70 58.45 2wni h MET 402 Cb 1.15 -0.15 -0.11 0.00 -0.80 0.00 0.00 31.60 31.69 2wni h MET 402 CO 1.03 0.48 0.58 0.08 0.23 0.00 0.00 176.91 179.31 2wni s VAL 403 N -5.59 4.47 0.98 -5.77 1.01 -1.26 -4.99 120.40 109.25 2wni s VAL 403 Ca -0.09 0.71 -0.11 0.00 0.00 0.00 0.00 61.98 62.49 2wni s VAL 403 Cb 0.17 -4.44 0.18 0.00 0.00 0.00 0.00 36.38 32.29 2wni s VAL 403 CO 0.75 -0.85 1.09 -0.76 0.00 0.00 0.00 175.10 175.33 2wni s LEU 404 N 3.77 2.01 1.04 3.92 1.43 -1.26 -5.04 118.68 124.54 2wni s LEU 404 Ca 0.37 1.69 -0.13 0.00 -1.03 0.00 0.00 54.13 55.03 2wni s LEU 404 Cb -0.10 -3.95 0.21 0.00 0.03 0.00 0.00 46.19 42.37 2wni s LEU 404 CO 0.26 -3.21 1.09 -2.84 0.23 0.00 0.00 176.35 171.87 2wni s PRO 405 N -4.72 0.13 0.00 1.29 0.02 -1.26 -5.10 135.00 125.36 2wni s PRO 405 Ca 0.66 0.49 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2wni s PRO 405 Cb -0.21 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.60 2wni s PRO 405 CO 0.59 -2.93 0.00 1.17 -0.33 0.00 0.00 177.00 175.51