#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wd8 s ALA 3 N 0.00 3.27 0.93 4.31 0.00 -1.26 -5.04 121.76 123.97 2wd8 s ALA 3 Ca 0.00 0.78 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2wd8 s ALA 3 Cb 0.00 -3.29 0.15 0.00 0.00 0.00 0.00 23.12 19.98 2wd8 s ALA 3 CO 0.00 -0.13 1.10 -1.25 0.00 0.00 0.00 175.76 175.49 2wd8 s PRO 4 N -1.83 0.98 -0.01 0.00 0.04 -1.26 -4.78 135.00 128.13 2wd8 s PRO 4 Ca 0.49 0.53 0.04 0.00 0.04 0.00 0.00 61.00 62.10 2wd8 s PRO 4 Cb -0.27 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2wd8 s PRO 4 CO 0.34 -2.36 -0.12 0.00 0.04 0.00 0.00 177.00 174.90 2wd8 s ALA 5 N -3.06 1.03 -0.02 8.56 0.00 -1.26 -0.68 121.76 126.32 2wd8 s ALA 5 Ca 0.64 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 52.12 2wd8 s ALA 5 Cb -0.17 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 2wd8 s ALA 5 CO 0.56 0.25 -0.18 0.00 0.00 0.00 0.00 175.76 176.39 2wd8 s ALA 6 N -0.28 1.48 -0.23 0.00 0.00 0.72 0.18 121.76 123.63 2wd8 s ALA 6 Ca 0.05 -0.76 -0.09 0.00 0.00 0.00 0.00 51.96 51.15 2wd8 s ALA 6 Cb -0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 2wd8 s ALA 6 CO -0.00 0.36 0.12 0.08 0.00 0.00 0.00 175.76 176.32 2wd8 s VAL 7 N -0.38 5.06 -0.20 0.00 1.01 0.33 0.00 120.40 126.24 2wd8 s VAL 7 Ca 0.06 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 2wd8 s VAL 7 Cb -0.07 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.97 2wd8 s VAL 7 CO -0.00 0.37 -0.15 -0.69 0.00 0.00 0.00 175.10 174.62 2wd8 s VAL 8 N 1.01 2.43 0.36 2.92 1.01 -0.86 0.84 120.40 128.11 2wd8 s VAL 8 Ca 0.06 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 61.02 2wd8 s VAL 8 Cb -0.14 -2.07 -0.10 0.00 0.00 0.00 0.00 36.38 34.08 2wd8 s VAL 8 CO 0.04 0.48 0.80 0.42 0.00 0.00 0.00 175.10 176.84 2wd8 s THR 9 N 1.33 4.59 -1.46 3.92 -4.23 -0.66 -1.89 115.64 117.24 2wd8 s THR 9 Ca 0.05 1.12 -0.11 0.00 -1.18 0.00 0.00 61.69 61.57 2wd8 s THR 9 Cb -0.14 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.15 2wd8 s THR 9 CO -0.10 -0.23 1.00 0.61 -0.54 0.00 0.00 174.62 175.37 2wd8 n GLY 10 N -0.45 -0.48 0.32 3.99 0.00 -1.06 -2.69 105.19 104.82 2wd8 n GLY 10 Ca 0.05 0.20 0.13 0.00 0.00 0.00 0.00 46.02 46.40 2wd8 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wd8 n ALA 11 N -4.70 2.60 0.07 4.61 0.00 -0.01 -4.12 120.51 118.95 2wd8 n ALA 11 Ca -0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 53.44 53.03 2wd8 n ALA 11 Cb 0.55 -1.26 0.19 0.00 0.00 0.00 0.00 19.45 18.94 2wd8 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wd8 h ALA 12 N 4.13 1.05 -2.55 0.00 0.00 -1.89 -2.91 119.26 117.08 2wd8 h ALA 12 Ca 0.00 -0.42 -0.36 0.00 0.00 0.00 0.00 54.91 54.13 2wd8 h ALA 12 Cb 0.32 -0.10 -0.14 0.00 0.00 0.00 0.00 17.79 17.87 2wd8 h ALA 12 CO 0.00 0.60 -0.57 0.15 0.00 0.00 0.00 179.25 179.43 2wd8 s LYS 13 N -4.18 1.48 1.34 0.00 1.02 -1.26 -4.52 119.74 113.61 2wd8 s LYS 13 Ca -0.05 -1.82 0.00 0.00 0.02 0.00 0.00 55.97 54.11 2wd8 s LYS 13 Cb 0.13 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 2wd8 s LYS 13 CO 0.78 -0.46 0.00 0.54 -0.92 0.00 0.00 175.35 175.30 2wd8 n ARG 14 N -0.47 0.00 -0.16 1.68 1.74 -1.26 -1.80 116.66 116.39 2wd8 n ARG 14 Ca 0.03 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.00 2wd8 n ARG 14 Cb 0.65 0.00 -0.00 0.00 -1.02 0.00 0.00 32.46 32.09 2wd8 n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wd8 h ILE 15 N 0.00 1.27 -0.81 0.55 2.04 -1.90 -1.95 117.51 116.71 2wd8 h ILE 15 Ca 0.00 -1.30 0.02 0.00 1.00 0.00 0.00 64.86 64.58 2wd8 h ILE 15 Cb 0.00 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.13 2wd8 h ILE 15 CO 0.00 0.45 0.53 1.23 0.00 0.00 0.00 178.15 180.36 2wd8 h GLY 16 N 0.81 1.16 0.99 5.37 0.00 -1.67 -0.64 103.07 109.09 2wd8 h GLY 16 Ca 0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2wd8 h GLY 16 CO 0.05 0.38 0.30 -0.09 0.00 0.00 0.00 176.54 177.18 2wd8 h ARG 17 N 1.05 0.70 -0.08 4.80 2.43 -1.05 -0.72 114.38 121.52 2wd8 h ARG 17 Ca 0.31 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2wd8 h ARG 17 Cb -0.06 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2wd8 h ARG 17 CO -0.09 0.52 -0.23 0.00 -1.51 0.00 0.00 179.97 178.66 2wd8 h ALA 18 N 1.14 1.48 -0.22 2.80 0.00 -0.61 -1.12 119.26 122.72 2wd8 h ALA 18 Ca 0.18 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2wd8 h ALA 18 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2wd8 h ALA 18 CO -0.03 0.38 -0.16 0.82 0.00 0.00 0.00 179.25 180.26 2wd8 h ILE 19 N 0.12 1.31 -0.36 0.00 2.04 -0.84 -2.44 117.51 117.33 2wd8 h ILE 19 Ca 0.02 -1.28 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 2wd8 h ILE 19 Cb 0.48 1.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2wd8 h ILE 19 CO 0.03 0.39 0.21 0.00 0.00 0.00 0.00 178.15 178.78 2wd8 h ALA 20 N 0.68 0.47 -0.74 1.87 0.00 -0.85 -1.40 119.26 119.29 2wd8 h ALA 20 Ca 0.04 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2wd8 h ALA 20 Cb 0.68 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 2wd8 h ALA 20 CO 0.04 -0.02 0.47 0.28 0.00 0.00 0.00 179.25 180.02 2wd8 h VAL 21 N 0.47 1.12 -0.01 0.00 2.07 -1.24 -0.61 116.25 118.05 2wd8 h VAL 21 Ca 0.13 -0.32 -0.25 0.00 0.82 0.00 0.00 66.70 67.08 2wd8 h VAL 21 Cb 0.04 0.12 0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2wd8 h VAL 21 CO -0.02 0.17 -1.00 0.11 0.02 0.00 0.00 177.57 176.84 2wd8 h LYS 22 N 0.92 0.62 -0.64 1.57 1.57 -1.31 -0.14 116.57 119.16 2wd8 h LYS 22 Ca 0.29 -0.65 0.03 0.00 -1.87 0.00 0.00 60.65 58.45 2wd8 h LYS 22 Cb -0.01 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 2wd8 h LYS 22 CO -0.10 1.26 0.39 -0.07 -0.57 0.00 0.00 179.45 180.36 2wd8 h LEU 23 N 0.35 0.63 -0.30 2.94 3.38 -1.11 -0.76 115.31 120.44 2wd8 h LEU 23 Ca -0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 2wd8 h LEU 23 Cb 1.65 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2wd8 h LEU 23 CO 0.19 0.43 0.11 -0.74 0.09 0.00 0.00 178.44 178.52 2wd8 h HIS 24 N 0.76 0.46 0.00 1.13 2.76 -0.94 -0.47 115.15 118.86 2wd8 h HIS 24 Ca 0.26 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 2wd8 h HIS 24 Cb 0.05 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 28.87 2wd8 h HIS 24 CO -0.05 0.47 -0.05 1.96 -1.30 0.00 0.00 177.93 178.95 2wd8 h GLN 25 N 0.32 0.00 0.00 5.26 4.20 -0.84 -1.58 115.11 122.48 2wd8 h GLN 25 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2wd8 h GLN 25 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2wd8 h GLN 25 CO -0.01 0.05 0.00 2.41 -0.67 0.00 0.00 178.83 180.61 2wd8 n THR 26 N -4.40 0.49 0.00 -0.54 -1.04 -0.31 -4.92 114.28 103.57 2wd8 n THR 26 Ca -0.03 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 2wd8 n THR 26 Cb 0.13 -0.71 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 2wd8 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wd8 n GLY 27 N 0.96 1.19 3.77 3.41 0.00 -0.59 -5.08 105.19 108.85 2wd8 n GLY 27 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 2wd8 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wd8 s TYR 28 N -2.00 3.04 0.21 1.61 1.51 -0.22 -4.41 117.35 117.09 2wd8 s TYR 28 Ca 0.00 1.57 -0.21 0.00 -1.01 0.00 0.00 57.07 57.42 2wd8 s TYR 28 Cb 0.00 -3.31 -0.08 0.00 -0.11 0.00 0.00 41.96 38.45 2wd8 s TYR 28 CO 0.00 -1.21 0.75 1.03 -1.11 0.00 0.00 175.55 175.01 2wd8 s ARG 29 N -2.53 4.35 -0.05 -0.62 0.52 0.14 -4.19 118.95 116.57 2wd8 s ARG 29 Ca 0.60 0.97 0.04 0.00 -0.52 0.00 0.00 55.73 56.82 2wd8 s ARG 29 Cb -0.27 -2.97 -0.00 0.00 0.52 0.00 0.00 34.95 32.22 2wd8 s ARG 29 CO 0.34 0.43 -0.17 0.14 0.02 0.00 0.00 175.30 176.06 2wd8 s VAL 30 N -1.43 1.47 -0.31 3.52 -7.23 -0.28 -0.20 120.40 115.93 2wd8 s VAL 30 Ca 0.41 -0.73 -0.18 0.00 -1.81 0.00 0.00 61.98 59.67 2wd8 s VAL 30 Cb -0.18 -1.27 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2wd8 s VAL 30 CO 0.22 0.42 0.54 -0.69 -0.31 0.00 0.00 175.10 175.29 2wd8 s VAL 31 N 0.10 5.01 -0.67 1.32 1.01 0.10 -1.32 120.40 125.95 2wd8 s VAL 31 Ca -0.06 0.63 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 2wd8 s VAL 31 Cb -0.12 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.44 2wd8 s VAL 31 CO 0.03 -0.10 0.81 -0.63 0.00 0.00 0.00 175.10 175.21 2wd8 s ILE 32 N 2.43 4.78 0.27 2.22 1.01 0.11 -2.02 121.20 130.00 2wd8 s ILE 32 Ca 0.21 -1.07 -0.26 0.00 0.00 0.00 0.00 60.65 59.52 2wd8 s ILE 32 Cb -0.15 -4.56 -0.09 0.00 0.01 0.00 0.00 42.46 37.66 2wd8 s ILE 32 CO 0.12 -1.23 0.90 -2.28 0.00 0.00 0.00 174.94 172.45 2wd8 s HIS 33 N 2.74 3.78 0.13 3.97 5.65 -0.79 -1.51 115.29 129.26 2wd8 s HIS 33 Ca 0.17 1.76 -0.06 0.00 0.25 0.00 0.00 55.06 57.17 2wd8 s HIS 33 Cb -0.19 -2.89 -0.02 0.00 -1.18 0.00 0.00 32.58 28.31 2wd8 s HIS 33 CO 0.04 0.32 0.19 1.52 -0.65 0.00 0.00 174.74 176.15 2wd8 s TYR 34 N -1.45 0.45 0.00 3.88 -0.85 -0.53 -0.83 117.35 118.02 2wd8 s TYR 34 Ca 0.46 -0.85 0.00 0.00 -0.52 0.00 0.00 57.07 56.16 2wd8 s TYR 34 Cb -0.21 -0.18 0.00 0.00 0.38 0.00 0.00 41.96 41.96 2wd8 s TYR 34 CO 0.26 -0.61 0.00 1.58 -1.52 0.00 0.00 175.55 175.26 2wd8 n HIS 35 N -0.13 0.00 -0.09 -3.49 -0.00 -1.26 -1.40 115.22 108.86 2wd8 n HIS 35 Ca -0.09 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.53 2wd8 n HIS 35 Cb 0.63 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.46 2wd8 n HIS 35 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2wd8 n ASN 36 N -2.29 0.21 -3.48 0.26 3.02 -1.26 -4.73 115.26 106.99 2wd8 n ASN 36 Ca 0.00 0.06 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 2wd8 n ASN 36 Cb 0.00 0.78 -0.02 0.00 -0.61 0.00 0.00 39.78 39.93 2wd8 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wd8 n SER 37 N -2.82 7.01 0.10 6.41 7.64 -1.26 -4.71 113.62 126.00 2wd8 n SER 37 Ca -0.31 -2.71 -0.13 0.00 1.01 0.00 0.00 58.87 56.73 2wd8 n SER 37 Cb 1.14 -1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 2wd8 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd8 h ALA 38 N 5.33 -0.21 -0.30 -0.43 0.00 -1.97 -2.01 119.26 119.67 2wd8 h ALA 38 Ca 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.63 2wd8 h ALA 38 Cb 0.41 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2wd8 h ALA 38 CO 1.80 -0.63 0.16 0.93 0.00 0.00 0.00 179.25 181.51 2wd8 h GLU 39 N -0.24 0.42 -0.83 0.00 5.08 -2.00 -2.05 114.58 114.96 2wd8 h GLU 39 Ca 0.00 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 2wd8 h GLU 39 Cb 0.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 2wd8 h GLU 39 CO -0.03 0.36 0.55 0.00 -1.00 0.00 0.00 179.01 178.90 2wd8 h ALA 40 N 1.03 1.06 -0.01 3.43 0.00 -1.89 0.27 119.26 123.15 2wd8 h ALA 40 Ca 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wd8 h ALA 40 Cb 0.07 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wd8 h ALA 40 CO -0.02 0.47 0.00 0.00 0.00 0.00 0.00 179.25 179.70 2wd8 h ALA 41 N 1.31 0.01 -0.74 0.00 0.00 -1.18 0.03 119.26 118.69 2wd8 h ALA 41 Ca 0.31 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2wd8 h ALA 41 Cb -0.13 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2wd8 h ALA 41 CO -0.07 -0.37 0.42 0.28 0.00 0.00 0.00 179.25 179.51 2wd8 h VAL 42 N -0.23 1.22 -0.68 0.00 2.07 -1.34 -1.44 116.25 115.85 2wd8 h VAL 42 Ca 0.00 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 66.95 2wd8 h VAL 42 Cb 0.24 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2wd8 h VAL 42 CO 0.00 0.24 0.21 -1.28 0.02 0.00 0.00 177.57 176.76 2wd8 h SER 43 N 1.03 0.98 0.03 0.57 0.87 -0.71 -2.06 113.55 114.25 2wd8 h SER 43 Ca 0.26 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2wd8 h SER 43 Cb 0.01 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.71 2wd8 h SER 43 CO -0.04 0.91 -0.01 0.25 -0.53 0.00 0.00 176.83 177.41 2wd8 h LEU 44 N 1.01 -0.03 -1.24 2.23 5.85 -0.61 -2.74 115.31 119.78 2wd8 h LEU 44 Ca 0.22 -0.40 0.13 0.00 0.84 0.00 0.00 57.88 58.67 2wd8 h LEU 44 Cb 0.29 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 2wd8 h LEU 44 CO -0.01 0.39 0.58 0.00 -0.34 0.00 0.00 178.44 179.06 2wd8 h ALA 45 N 0.49 1.74 -0.03 1.25 0.00 -1.24 0.51 119.26 121.99 2wd8 h ALA 45 Ca -0.00 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2wd8 h ALA 45 Cb 0.43 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2wd8 h ALA 45 CO 0.01 0.03 0.02 -0.44 0.00 0.00 0.00 179.25 178.86 2wd8 h ASP 46 N 0.77 0.04 -0.37 0.00 3.32 -1.40 0.25 116.42 119.03 2wd8 h ASP 46 Ca 0.44 -0.11 0.06 0.00 0.02 0.00 0.00 57.03 57.44 2wd8 h ASP 46 Cb 0.60 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 40.09 2wd8 h ASP 46 CO -0.20 0.13 0.06 -0.08 -1.72 0.00 0.00 179.24 177.43 2wd8 h GLU 47 N -0.06 0.17 -0.29 3.56 4.81 -0.99 -0.97 114.58 120.81 2wd8 h GLU 47 Ca 0.01 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2wd8 h GLU 47 Cb 0.11 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2wd8 h GLU 47 CO -0.00 0.11 0.06 -0.07 -0.73 0.00 0.00 179.01 178.38 2wd8 h LEU 48 N 0.18 0.45 -1.46 1.64 3.38 -0.81 -2.99 115.31 115.70 2wd8 h LEU 48 Ca 0.18 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2wd8 h LEU 48 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wd8 h LEU 48 CO -0.25 0.57 -0.22 0.78 0.09 0.00 0.00 178.44 179.41 2wd8 h ASN 49 N 0.30 0.07 0.10 -0.43 2.35 -0.25 -1.96 115.58 115.75 2wd8 h ASN 49 Ca 0.09 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 2wd8 h ASN 49 Cb 0.31 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 2wd8 h ASN 49 CO 0.00 0.29 -0.22 0.11 -1.65 0.00 0.00 177.43 175.97 2wd8 h LYS 50 N 0.06 0.22 -0.02 0.81 1.57 -1.12 -2.16 116.57 115.92 2wd8 h LYS 50 Ca 0.01 -0.06 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 2wd8 h LYS 50 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2wd8 h LYS 50 CO 0.03 0.43 -0.23 1.49 -0.57 0.00 0.00 179.45 180.60 2wd8 h GLU 51 N 0.20 0.19 -2.67 3.15 4.57 -1.25 -3.44 114.58 115.33 2wd8 h GLU 51 Ca 0.04 -0.18 -0.28 0.00 -1.18 0.00 0.00 59.36 57.75 2wd8 h GLU 51 Cb 0.50 0.04 -0.35 0.00 -0.16 0.00 0.00 28.75 28.78 2wd8 h GLU 51 CO 0.03 0.88 -0.60 1.03 -1.18 0.00 0.00 179.01 179.17 2wd8 s ARG 52 N -3.33 0.16 0.48 1.92 0.52 -0.80 -5.13 118.95 112.77 2wd8 s ARG 52 Ca -0.16 0.40 -0.23 0.00 -0.52 0.00 0.00 55.73 55.23 2wd8 s ARG 52 Cb 0.01 -0.75 -0.07 0.00 0.52 0.00 0.00 34.95 34.67 2wd8 s ARG 52 CO 0.74 -0.51 1.27 -1.54 0.02 0.00 0.00 175.30 175.28 2wd8 s SER 53 N 2.35 5.84 -1.24 0.23 1.04 -0.82 -3.35 113.70 117.76 2wd8 s SER 53 Ca 0.05 2.55 -0.07 0.00 0.48 0.00 0.00 55.95 58.97 2wd8 s SER 53 Cb -0.14 -2.62 0.01 0.00 0.10 0.00 0.00 66.02 63.36 2wd8 s SER 53 CO -0.10 -1.16 0.93 0.59 0.98 0.00 0.00 173.24 174.47 2wd8 n ASN 54 N -0.58 -5.82 0.00 7.02 3.02 -1.26 -4.93 115.26 112.71 2wd8 n ASN 54 Ca 0.08 -0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.21 2wd8 n ASN 54 Cb 0.46 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 35.14 2wd8 n ASN 54 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2wd8 n THR 55 N -4.64 0.29 -3.79 3.41 -2.24 -1.21 -5.04 114.28 101.06 2wd8 n THR 55 Ca -0.02 -0.54 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 2wd8 n THR 55 Cb 0.57 0.99 -0.13 0.00 -2.10 0.00 0.00 70.33 69.66 2wd8 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wd8 s ALA 56 N -0.29 -0.37 0.13 6.98 0.00 -1.26 -1.13 121.76 125.82 2wd8 s ALA 56 Ca 0.00 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2wd8 s ALA 56 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 2wd8 s ALA 56 CO 0.00 -0.11 -0.02 0.14 0.00 0.00 0.00 175.76 175.77 2wd8 s VAL 57 N 0.47 0.59 0.20 0.00 -7.23 -0.44 -4.91 120.40 109.09 2wd8 s VAL 57 Ca -0.03 -1.94 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 2wd8 s VAL 57 Cb -0.05 -1.88 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2wd8 s VAL 57 CO -0.02 -0.68 0.07 0.68 -0.31 0.00 0.00 175.10 174.84 2wd8 s VAL 58 N -3.71 3.98 -0.17 1.32 -7.23 -1.26 0.06 120.40 113.40 2wd8 s VAL 58 Ca 0.18 -1.44 -0.05 0.00 -1.81 0.00 0.00 61.98 58.86 2wd8 s VAL 58 Cb 0.06 -3.06 0.08 0.00 0.56 0.00 0.00 36.38 34.02 2wd8 s VAL 58 CO -0.01 -0.21 0.31 0.00 -0.31 0.00 0.00 175.10 174.88 2wd8 s GLN 60 N 2.47 4.30 -0.28 0.00 -0.44 -1.26 -1.45 119.66 123.00 2wd8 s GLN 60 Ca 0.03 0.59 -0.19 0.00 -2.50 0.00 0.00 55.36 53.29 2wd8 s GLN 60 Cb -0.13 -3.38 0.09 0.00 -1.64 0.00 0.00 33.01 27.94 2wd8 s GLN 60 CO -0.11 0.27 0.74 0.00 0.50 0.00 0.00 175.29 176.70 2wd8 s ALA 61 N 0.19 -1.90 -0.10 1.58 0.00 -0.49 -4.96 121.76 116.07 2wd8 s ALA 61 Ca 0.29 2.28 -0.30 0.00 0.00 0.00 0.00 51.96 54.23 2wd8 s ALA 61 Cb -0.17 -1.39 -0.02 0.00 0.00 0.00 0.00 23.12 21.54 2wd8 s ALA 61 CO 0.14 -0.36 1.10 0.34 0.00 0.00 0.00 175.76 176.98 2wd8 s ASP 62 N 1.23 7.14 -0.21 0.00 2.15 -1.26 -4.15 116.67 121.57 2wd8 s ASP 62 Ca -0.07 1.63 0.15 0.00 0.43 0.00 0.00 52.55 54.69 2wd8 s ASP 62 Cb -0.05 -2.55 0.75 0.00 -0.30 0.00 0.00 42.92 40.77 2wd8 s ASP 62 CO -0.14 -0.54 1.67 0.18 -0.17 0.00 0.00 175.17 176.17 2wd8 n LEU 63 N 5.33 5.26 -4.77 -1.34 4.77 -1.26 -4.96 117.00 120.03 2wd8 n LEU 63 Ca 0.10 -2.88 -0.40 0.00 -0.03 0.00 0.00 56.01 52.81 2wd8 n LEU 63 Cb 0.47 -0.64 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 2wd8 n LEU 63 CO 0.53 0.66 0.93 -0.89 -1.33 0.00 0.00 177.39 177.30 2wd8 s THR 64 N -2.65 2.79 0.13 -5.08 2.01 -1.26 -2.38 115.64 109.20 2wd8 s THR 64 Ca 0.52 0.72 -0.31 0.00 0.31 0.00 0.00 61.69 62.93 2wd8 s THR 64 Cb 0.39 -3.43 -0.10 0.00 0.01 0.00 0.00 72.50 69.36 2wd8 s THR 64 CO 0.16 0.12 1.76 0.21 -0.69 0.00 0.00 174.62 176.18 2wd8 s ASN 65 N -0.76 6.46 0.37 3.53 2.47 -0.02 -4.67 114.94 122.32 2wd8 s ASN 65 Ca 0.54 2.72 -0.16 0.00 0.42 0.00 0.00 52.86 56.38 2wd8 s ASN 65 Cb -0.37 -2.57 0.05 0.00 -1.45 0.00 0.00 41.25 36.91 2wd8 s ASN 65 CO 0.48 -0.97 0.77 -0.94 -3.72 0.00 0.00 177.10 172.72 2wd8 s SER 66 N 2.31 -0.00 0.00 -4.21 1.04 -1.26 -4.84 113.70 106.74 2wd8 s SER 66 Ca 0.78 -1.09 0.19 0.00 0.48 0.00 0.00 55.95 56.30 2wd8 s SER 66 Cb -0.45 0.83 0.80 0.00 0.10 0.00 0.00 66.02 67.30 2wd8 s SER 66 CO 0.35 -1.64 1.59 0.59 0.98 0.00 0.00 173.24 175.11 2wd8 n ASN 67 N -1.29 0.00 -0.66 7.02 5.03 -1.26 -2.44 115.26 121.65 2wd8 n ASN 67 Ca -0.08 0.47 0.11 0.00 0.87 0.00 0.00 54.58 55.95 2wd8 n ASN 67 Cb 0.60 -0.49 0.04 0.00 -1.02 0.00 0.00 39.78 38.91 2wd8 n ASN 67 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2wd8 n VAL 68 N -1.49 0.00 -0.29 2.41 0.24 -1.26 -4.58 118.33 113.36 2wd8 n VAL 68 Ca 0.05 -0.39 0.03 0.00 -2.04 0.00 0.00 64.34 61.99 2wd8 n VAL 68 Cb 0.21 1.35 0.17 0.00 -1.47 0.00 0.00 33.84 34.10 2wd8 n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2wd8 h LEU 69 N 3.26 0.63 -0.82 1.34 5.85 -1.75 -1.78 115.31 122.04 2wd8 h LEU 69 Ca 0.00 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2wd8 h LEU 69 Cb 0.80 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.72 2wd8 h LEU 69 CO 0.00 0.35 0.52 -0.65 -0.34 0.00 0.00 178.44 178.31 2wd8 h PRO 70 N 0.74 0.96 -0.96 5.25 0.11 -1.81 -1.14 132.00 135.15 2wd8 h PRO 70 Ca 0.40 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.47 2wd8 h PRO 70 Cb 0.41 -0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.26 2wd8 h PRO 70 CO -0.27 0.63 0.64 0.00 -0.21 0.00 0.00 178.00 178.79 2wd8 h ALA 71 N 1.36 1.23 -0.35 -0.75 0.00 -1.68 -0.91 119.26 118.15 2wd8 h ALA 71 Ca 0.34 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 2wd8 h ALA 71 Cb 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 2wd8 h ALA 71 CO -0.14 0.60 -0.03 0.77 0.00 0.00 0.00 179.25 180.46 2wd8 h SER 72 N 1.30 0.63 -0.48 0.00 0.02 -0.84 -1.16 113.55 113.01 2wd8 h SER 72 Ca 0.36 -0.33 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2wd8 h SER 72 Cb -0.14 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 2wd8 h SER 72 CO -0.08 0.81 0.17 0.00 -1.14 0.00 0.00 176.83 176.59 2wd8 h GLU 74 N 0.64 0.96 -0.32 0.00 4.81 -1.13 -2.70 114.58 116.84 2wd8 h GLU 74 Ca 0.16 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.25 2wd8 h GLU 74 Cb 0.24 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 2wd8 h GLU 74 CO -0.01 0.63 -0.11 1.49 -0.73 0.00 0.00 179.01 180.29 2wd8 h GLU 75 N 0.99 0.64 -0.57 1.92 4.57 -0.76 0.84 114.58 122.20 2wd8 h GLU 75 Ca 0.39 -0.26 0.09 0.00 -1.18 0.00 0.00 59.36 58.40 2wd8 h GLU 75 Cb 0.25 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 28.74 2wd8 h GLU 75 CO -0.15 0.84 0.19 0.82 -1.18 0.00 0.00 179.01 179.53 2wd8 h ILE 76 N 0.41 0.77 -0.01 2.32 2.04 -1.08 0.10 117.51 122.05 2wd8 h ILE 76 Ca 0.08 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 2wd8 h ILE 76 Cb 0.62 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2wd8 h ILE 76 CO 0.04 0.07 -0.00 0.40 0.00 0.00 0.00 178.15 178.65 2wd8 h ILE 77 N 0.37 1.30 -0.96 -0.67 1.08 -1.36 -2.91 117.51 114.36 2wd8 h ILE 77 Ca 0.29 -0.91 0.28 0.00 -0.39 0.00 0.00 64.86 64.13 2wd8 h ILE 77 Cb 0.35 1.89 -0.14 0.00 -3.07 0.00 0.00 36.82 35.85 2wd8 h ILE 77 CO -0.30 0.24 0.46 0.78 -0.69 0.00 0.00 178.15 178.63 2wd8 h ASN 78 N -0.35 0.35 -0.29 1.72 2.35 -0.52 -1.81 115.58 117.04 2wd8 h ASN 78 Ca 0.00 0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.91 2wd8 h ASN 78 Cb 0.39 0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 2wd8 h ASN 78 CO 0.00 -0.12 0.10 0.28 -1.65 0.00 0.00 177.43 176.04 2wd8 h SER 79 N 0.31 0.48 -0.38 5.81 0.02 -0.60 -0.46 113.55 118.73 2wd8 h SER 79 Ca 0.66 -0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 61.48 2wd8 h SER 79 Cb 1.43 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2wd8 h SER 79 CO -0.61 0.48 -0.03 0.00 -1.14 0.00 0.00 176.83 175.53 2wd8 h PHE 81 N 0.51 0.49 -0.27 0.00 -1.00 -1.25 0.44 116.94 115.86 2wd8 h PHE 81 Ca 0.10 -0.11 -0.17 0.00 2.81 0.00 0.00 57.97 60.61 2wd8 h PHE 81 Cb 0.52 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2wd8 h PHE 81 CO 0.04 0.67 -0.49 -0.09 -1.61 0.00 0.00 178.31 176.83 2wd8 h ARG 82 N 0.39 0.81 0.14 1.51 2.43 -0.99 -0.29 114.38 118.38 2wd8 h ARG 82 Ca 0.06 -0.51 -0.29 0.00 -0.81 0.00 0.00 59.98 58.42 2wd8 h ARG 82 Cb 0.68 0.06 0.03 0.00 -0.42 0.00 0.00 29.97 30.32 2wd8 h ARG 82 CO 0.05 1.14 -1.24 0.00 -1.51 0.00 0.00 179.97 178.41 2wd8 h ALA 83 N 0.66 -0.04 0.00 2.80 0.00 -1.27 -3.42 119.26 117.99 2wd8 h ALA 83 Ca 0.01 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2wd8 h ALA 83 Cb 1.10 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wd8 h ALA 83 CO 0.11 0.65 -0.32 1.19 0.00 0.00 0.00 179.25 180.88 2wd8 n PHE 84 N -3.82 0.00 -0.55 0.00 0.99 0.14 -5.01 117.46 109.21 2wd8 n PHE 84 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.31 2wd8 n PHE 84 Cb 0.99 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.47 2wd8 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2wd8 n GLY 85 N 1.41 0.99 3.74 1.37 0.00 -0.12 -4.97 105.19 107.61 2wd8 n GLY 85 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2wd8 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wd8 s ARG 86 N -0.35 1.39 -0.26 1.61 1.70 -1.26 -4.94 118.95 116.84 2wd8 s ARG 86 Ca 0.00 -0.73 -0.03 0.00 -0.47 0.00 0.00 55.73 54.49 2wd8 s ARG 86 Cb 0.00 0.50 0.15 0.00 -0.57 0.00 0.00 34.95 35.02 2wd8 s ARG 86 CO 0.00 -0.63 0.48 0.00 -1.08 0.00 0.00 175.30 174.06 2wd8 n ASP 88 N 5.40 0.91 -3.82 0.00 9.92 0.13 -4.96 116.55 124.12 2wd8 n ASP 88 Ca -0.04 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.09 2wd8 n ASP 88 Cb 0.50 1.24 -0.14 0.00 -0.64 0.00 0.00 41.12 42.08 2wd8 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wd8 s VAL 89 N -2.71 -0.03 -0.15 2.53 1.01 -0.94 -1.87 120.40 118.25 2wd8 s VAL 89 Ca -0.08 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2wd8 s VAL 89 Cb 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 36.38 36.38 2wd8 s VAL 89 CO 0.70 0.04 -0.19 -0.22 0.00 0.00 0.00 175.10 175.44 2wd8 s LEU 90 N 0.50 1.97 -0.29 3.92 2.96 -0.90 -0.51 118.68 126.32 2wd8 s LEU 90 Ca -0.04 -0.57 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2wd8 s LEU 90 Cb -0.06 -1.35 0.01 0.00 0.50 0.00 0.00 46.19 45.29 2wd8 s LEU 90 CO -0.02 0.01 0.09 -0.69 -1.32 0.00 0.00 176.35 174.42 2wd8 s VAL 91 N 1.18 4.04 -0.69 1.68 1.01 0.25 -0.82 120.40 127.05 2wd8 s VAL 91 Ca 0.00 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 2wd8 s VAL 91 Cb -0.14 -3.07 0.10 0.00 0.00 0.00 0.00 36.38 33.26 2wd8 s VAL 91 CO -0.08 0.09 0.90 0.20 0.00 0.00 0.00 175.10 176.21 2wd8 s ASN 92 N 1.52 6.27 -0.01 3.32 0.01 -0.28 -1.66 114.94 124.11 2wd8 s ASN 92 Ca 0.03 -1.36 0.00 0.00 -0.71 0.00 0.00 52.86 50.82 2wd8 s ASN 92 Cb -0.17 -2.37 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 2wd8 s ASN 92 CO 0.03 -1.25 -0.00 -3.20 -1.51 0.00 0.00 177.10 171.17 2wd8 n ASN 93 N 6.97 4.27 -4.60 -1.22 5.15 -1.26 -1.35 115.26 123.21 2wd8 n ASN 93 Ca -0.00 -0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.51 2wd8 n ASN 93 Cb 0.45 0.17 -0.03 0.00 -0.53 0.00 0.00 39.78 39.84 2wd8 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wd8 n ALA 94 N -2.35 -0.19 -3.64 5.20 0.00 -1.09 -4.89 120.51 113.54 2wd8 n ALA 94 Ca -0.01 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.77 2wd8 n ALA 94 Cb 0.51 -2.07 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 2wd8 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wd8 s SER 95 N -0.22 -0.83 0.08 0.00 0.15 -1.26 -4.54 113.70 107.08 2wd8 s SER 95 Ca 0.65 1.36 -0.17 0.00 0.70 0.00 0.00 55.95 58.49 2wd8 s SER 95 Cb -0.75 1.25 -0.07 0.00 -1.71 0.00 0.00 66.02 64.75 2wd8 s SER 95 CO 0.56 -0.23 0.54 0.00 1.20 0.00 0.00 173.24 175.31 2wd8 s ALA 96 N 1.47 3.60 -0.16 5.45 0.00 -1.26 -5.05 121.76 125.82 2wd8 s ALA 96 Ca -0.09 -0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.77 2wd8 s ALA 96 Cb -0.06 -2.57 0.07 0.00 0.00 0.00 0.00 23.12 20.57 2wd8 s ALA 96 CO -0.16 0.43 0.33 0.12 0.00 0.00 0.00 175.76 176.47 2wd8 s PHE 97 N -1.20 -0.57 0.00 0.00 2.19 -1.26 -4.81 117.98 112.33 2wd8 s PHE 97 Ca 0.30 1.19 0.00 0.00 0.33 0.00 0.00 56.93 58.76 2wd8 s PHE 97 Cb -0.18 0.12 0.00 0.00 -1.31 0.00 0.00 43.02 41.65 2wd8 s PHE 97 CO 0.18 -0.40 0.00 2.48 1.83 0.00 0.00 175.22 179.31 2wd8 n TYR 98 N 5.24 0.00 -2.36 10.12 0.18 -1.26 -5.17 117.16 123.92 2wd8 n TYR 98 Ca -0.09 0.00 -0.38 0.00 1.88 0.00 0.00 57.90 59.31 2wd8 n TYR 98 Cb 0.50 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.43 2wd8 n TYR 98 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 2wd8 s PRO 99 N -2.00 4.18 -0.49 -3.48 0.04 -1.26 -4.73 135.00 127.26 2wd8 s PRO 99 Ca 0.00 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.87 2wd8 s PRO 99 Cb 0.00 -2.75 0.16 0.00 0.04 0.00 0.00 34.50 31.95 2wd8 s PRO 99 CO 0.00 -0.20 0.35 0.95 0.04 0.00 0.00 177.00 178.15 2wd8 s THR 100 N -1.41 1.16 0.44 1.26 -4.23 0.16 -4.99 115.64 108.04 2wd8 s THR 100 Ca 0.55 -2.99 -0.25 0.00 -1.18 0.00 0.00 61.69 57.82 2wd8 s THR 100 Cb -0.30 -1.79 -0.08 0.00 1.34 0.00 0.00 72.50 71.67 2wd8 s THR 100 CO 0.38 -1.10 1.29 -2.16 -0.54 0.00 0.00 174.62 172.48 2wd8 s PRO 101 N -0.21 3.80 0.19 3.99 0.04 -1.22 -4.40 135.00 137.18 2wd8 s PRO 101 Ca 0.27 2.11 0.04 0.00 0.04 0.00 0.00 61.00 63.46 2wd8 s PRO 101 Cb -0.05 -2.62 0.09 0.00 0.04 0.00 0.00 34.50 31.96 2wd8 s PRO 101 CO -0.14 -0.62 1.44 -0.07 0.04 0.00 0.00 177.00 177.66 2wd8 h LEU 102 N 2.38 0.24 -3.58 -3.56 3.38 -2.00 -3.52 115.31 108.64 2wd8 h LEU 102 Ca -0.50 -0.17 -0.39 0.00 0.09 0.00 0.00 57.88 56.91 2wd8 h LEU 102 Cb 1.25 -0.07 -0.26 0.00 0.09 0.00 0.00 40.66 41.68 2wd8 h LEU 102 CO 0.61 0.92 -0.27 0.52 0.09 0.00 0.00 178.44 180.32 2wd8 n VAL 103 N -3.72 2.69 1.74 1.22 0.31 -1.26 -5.25 118.33 114.06 2wd8 n VAL 103 Ca -0.03 -3.42 0.15 0.00 -0.01 0.00 0.00 64.34 61.03 2wd8 n VAL 103 Cb 0.74 -0.77 0.80 0.00 -0.91 0.00 0.00 33.84 33.69 2wd8 n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wd8 n GLY 113 N -0.93 -0.85 3.84 2.92 0.00 -1.26 -5.20 105.19 103.71 2wd8 n GLY 113 Ca 0.41 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2wd8 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd8 s LYS 114 N -2.15 4.05 0.70 1.61 1.02 -1.26 -5.07 119.74 118.63 2wd8 s LYS 114 Ca 0.41 0.67 -0.14 0.00 0.02 0.00 0.00 55.97 56.93 2wd8 s LYS 114 Cb 0.21 -2.62 0.02 0.00 -0.52 0.00 0.00 37.83 34.92 2wd8 s LYS 114 CO 0.39 0.27 1.12 0.95 -0.92 0.00 0.00 175.35 177.16 2wd8 s THR 115 N -1.79 3.11 0.52 2.17 -4.23 -1.26 -4.87 115.64 109.29 2wd8 s THR 115 Ca 0.49 0.48 0.18 0.00 -1.18 0.00 0.00 61.69 61.66 2wd8 s THR 115 Cb -0.13 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.00 2wd8 s THR 115 CO 0.19 -0.35 2.15 1.62 -0.54 0.00 0.00 174.62 177.69 2wd8 h VAL 116 N -0.28 0.95 0.20 2.29 3.04 -1.99 -1.63 116.25 118.83 2wd8 h VAL 116 Ca -0.46 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 2wd8 h VAL 116 Cb 1.25 1.02 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 2wd8 h VAL 116 CO 0.53 0.01 -0.18 -0.33 -1.01 0.00 0.00 177.57 176.59 2wd8 h GLU 117 N 0.00 -0.39 -0.61 4.17 3.07 -1.99 -1.18 114.58 117.65 2wd8 h GLU 117 Ca -0.00 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 2wd8 h GLU 117 Cb 0.02 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 27.99 2wd8 h GLU 117 CO 0.00 -0.26 0.21 1.15 -1.40 0.00 0.00 179.01 178.71 2wd8 h THR 118 N -0.40 1.24 -0.38 1.13 2.02 -1.81 0.65 112.91 115.36 2wd8 h THR 118 Ca -0.00 -0.80 0.04 0.00 0.77 0.00 0.00 66.41 66.42 2wd8 h THR 118 Cb 0.37 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2wd8 h THR 118 CO -0.03 0.31 0.14 1.56 0.37 0.00 0.00 175.52 177.86 2wd8 h GLN 119 N 0.86 0.28 0.26 6.66 4.20 -1.22 0.10 115.11 126.27 2wd8 h GLN 119 Ca 0.20 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.88 2wd8 h GLN 119 Cb 0.27 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2wd8 h GLN 119 CO -0.01 0.19 -0.13 0.28 -0.67 0.00 0.00 178.83 178.49 2wd8 h VAL 120 N 0.29 0.78 -0.79 -0.54 2.07 -1.01 -0.68 116.25 116.37 2wd8 h VAL 120 Ca 0.17 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.56 2wd8 h VAL 120 Cb 0.15 0.94 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 2wd8 h VAL 120 CO -0.17 0.06 0.36 0.00 0.02 0.00 0.00 177.57 177.83 2wd8 h ALA 121 N 0.21 1.15 0.11 1.67 0.00 -0.68 -1.48 119.26 120.23 2wd8 h ALA 121 Ca -0.04 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2wd8 h ALA 121 Cb 0.37 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2wd8 h ALA 121 CO 0.06 -0.16 -0.05 0.93 0.00 0.00 0.00 179.25 180.03 2wd8 h GLU 122 N 0.52 -0.14 -0.40 0.00 5.08 -0.71 0.37 114.58 119.30 2wd8 h GLU 122 Ca 0.43 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2wd8 h GLU 122 Cb 0.63 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2wd8 h GLU 122 CO -0.38 0.29 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.68 2wd8 h LEU 123 N -0.94 0.83 0.21 1.33 3.38 -1.12 -1.12 115.31 117.89 2wd8 h LEU 123 Ca -0.02 -0.39 -0.28 0.00 0.09 0.00 0.00 57.88 57.28 2wd8 h LEU 123 Cb 0.50 -0.23 0.03 0.00 0.09 0.00 0.00 40.66 41.05 2wd8 h LEU 123 CO 0.02 1.04 -1.23 0.40 0.09 0.00 0.00 178.44 178.76 2wd8 h ILE 124 N 0.62 1.36 0.60 1.22 1.08 -1.44 -3.04 117.51 117.90 2wd8 h ILE 124 Ca 0.09 -2.63 -0.02 0.00 -0.39 0.00 0.00 64.86 61.91 2wd8 h ILE 124 Cb 0.71 3.10 -0.01 0.00 -3.07 0.00 0.00 36.82 37.55 2wd8 h ILE 124 CO 0.05 0.77 -0.43 1.23 -0.69 0.00 0.00 178.15 179.08 2wd8 h GLY 125 N -0.04 -1.20 0.89 5.37 0.00 -1.16 -0.82 103.07 106.11 2wd8 h GLY 125 Ca -0.22 0.52 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 2wd8 h GLY 125 CO 0.22 -0.39 0.08 -0.91 0.00 0.00 0.00 176.54 175.55 2wd8 h THR 126 N -0.98 1.20 0.00 4.70 1.35 -0.82 0.56 112.91 118.92 2wd8 h THR 126 Ca -0.08 -0.63 -0.05 0.00 -0.55 0.00 0.00 66.41 65.09 2wd8 h THR 126 Cb 0.81 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.32 2wd8 h THR 126 CO 0.04 0.21 -0.25 0.78 -0.25 0.00 0.00 175.52 176.04 2wd8 h ASN 127 N 0.28 0.00 0.00 5.36 2.35 -1.59 -3.39 115.58 118.59 2wd8 h ASN 127 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2wd8 h ASN 127 Cb 0.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2wd8 h ASN 127 CO -0.00 0.25 -0.08 0.00 -1.65 0.00 0.00 177.43 175.95 2wd8 n ALA 128 N -2.19 3.00 -0.03 -0.83 0.00 -0.43 -4.61 120.51 115.43 2wd8 n ALA 128 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.33 2wd8 n ALA 128 Cb 0.55 0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 2wd8 n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wd8 h ILE 129 N 0.00 1.34 -0.46 0.00 1.08 -0.49 -2.27 117.51 116.72 2wd8 h ILE 129 Ca 0.00 -1.13 0.02 0.00 -0.39 0.00 0.00 64.86 63.36 2wd8 h ILE 129 Cb 0.08 1.93 -0.03 0.00 -3.07 0.00 0.00 36.82 35.73 2wd8 h ILE 129 CO 0.00 0.32 0.26 0.00 -0.69 0.00 0.00 178.15 178.04 2wd8 h ALA 130 N 0.60 0.58 -0.99 1.87 0.00 -0.14 -0.38 119.26 120.80 2wd8 h ALA 130 Ca 0.02 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.11 2wd8 h ALA 130 Cb 0.53 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2wd8 h ALA 130 CO 0.01 -0.06 0.61 -1.35 0.00 0.00 0.00 179.25 178.47 2wd8 h PRO 131 N 0.53 0.72 -0.26 0.00 0.11 -1.75 0.54 132.00 131.88 2wd8 h PRO 131 Ca 0.18 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2wd8 h PRO 131 Cb 0.03 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 30.96 2wd8 h PRO 131 CO -0.09 0.47 0.12 0.35 -0.21 0.00 0.00 178.00 178.64 2wd8 h PHE 132 N 0.74 0.39 -0.09 0.65 3.57 -0.57 -2.03 116.94 119.60 2wd8 h PHE 132 Ca 0.56 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.83 2wd8 h PHE 132 Cb 0.90 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 39.53 2wd8 h PHE 132 CO -0.00 0.38 -0.80 -0.07 -2.23 0.00 0.00 178.31 175.59 2wd8 h LEU 133 N 0.28 0.67 -0.92 0.59 3.38 -0.89 -1.31 115.31 117.11 2wd8 h LEU 133 Ca 0.09 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 2wd8 h LEU 133 Cb 0.15 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2wd8 h LEU 133 CO -0.01 1.23 0.19 -0.07 0.09 0.00 0.00 178.44 179.86 2wd8 h LEU 134 N 0.36 0.91 -0.14 1.67 3.38 -0.92 -1.17 115.31 119.41 2wd8 h LEU 134 Ca -0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2wd8 h LEU 134 Cb 1.40 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2wd8 h LEU 134 CO 0.15 0.86 0.05 0.74 0.09 0.00 0.00 178.44 180.33 2wd8 h THR 135 N 0.94 1.16 0.03 0.22 2.02 -1.23 0.28 112.91 116.33 2wd8 h THR 135 Ca 0.21 -0.48 0.03 0.00 0.77 0.00 0.00 66.41 66.93 2wd8 h THR 135 Cb 0.29 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.88 2wd8 h THR 135 CO -0.01 0.15 -0.36 -0.03 0.37 0.00 0.00 175.52 175.64 2wd8 h MET 136 N 0.06 -0.52 -0.53 6.66 -1.53 -1.16 -0.69 114.93 117.23 2wd8 h MET 136 Ca 0.05 0.04 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 2wd8 h MET 136 Cb 0.19 0.12 -0.02 0.00 -0.55 0.00 0.00 31.60 31.33 2wd8 h MET 136 CO -0.00 -0.34 0.27 0.77 0.14 0.00 0.00 176.91 177.75 2wd8 h SER 137 N -0.54 0.67 0.03 1.39 0.02 -1.12 -0.98 113.55 113.03 2wd8 h SER 137 Ca 0.05 -0.11 0.03 0.00 -0.84 0.00 0.00 61.79 60.92 2wd8 h SER 137 Cb 0.61 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.93 2wd8 h SER 137 CO -0.27 0.59 -0.27 0.15 -1.14 0.00 0.00 176.83 175.89 2wd8 h PHE 138 N 0.70 -0.72 -0.45 3.45 3.57 -0.32 -1.72 116.94 121.45 2wd8 h PHE 138 Ca 0.18 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 2wd8 h PHE 138 Cb 0.08 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 2wd8 h PHE 138 CO -0.01 -0.36 0.16 0.00 -2.23 0.00 0.00 178.31 175.87 2wd8 h ALA 139 N 0.36 0.59 -0.83 2.41 0.00 -0.98 -2.92 119.26 117.89 2wd8 h ALA 139 Ca 0.05 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wd8 h ALA 139 Cb 0.50 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 2wd8 h ALA 139 CO -0.21 0.21 0.54 0.37 0.00 0.00 0.00 179.25 180.16 2wd8 h GLN 140 N 0.59 1.04 0.00 0.00 -0.00 -1.07 -1.76 115.11 113.90 2wd8 h GLN 140 Ca 0.15 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.72 2wd8 h GLN 140 Cb 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.47 2wd8 h GLN 140 CO -0.01 0.68 -0.06 0.00 0.00 0.00 0.00 178.83 179.45 2wd8 h ARG 141 N 1.07 0.00 0.00 1.69 2.47 -1.12 -3.51 114.38 114.98 2wd8 h ARG 141 Ca 0.32 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.68 2wd8 h ARG 141 Cb -0.04 0.00 0.15 0.00 -1.65 0.00 0.00 29.97 28.43 2wd8 h ARG 141 CO -0.10 0.06 0.35 1.04 0.56 0.00 0.00 179.97 181.88 2wd8 n GLN 142 N -3.47 -1.16 0.00 0.04 1.13 -0.67 -5.09 117.38 108.16 2wd8 n GLN 142 Ca -0.02 -1.73 0.00 0.00 -1.94 0.00 0.00 57.00 53.31 2wd8 n GLN 142 Cb 0.18 -1.17 0.00 0.00 0.11 0.00 0.00 30.24 29.37 2wd8 n GLN 142 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2wd8 n SER 152 N -3.76 0.00 -3.49 1.08 3.41 -1.26 -5.00 113.62 104.60 2wd8 n SER 152 Ca 0.14 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.48 2wd8 n SER 152 Cb 0.49 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.33 2wd8 n SER 152 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2wd8 s ASN 153 N 0.00 2.06 -0.01 4.04 2.47 -1.26 -5.11 114.94 117.13 2wd8 s ASN 153 Ca 0.00 -3.22 -0.20 0.00 0.42 0.00 0.00 52.86 49.86 2wd8 s ASN 153 Cb 0.00 -0.66 -0.05 0.00 -1.45 0.00 0.00 41.25 39.09 2wd8 s ASN 153 CO 0.00 -0.15 0.59 -0.76 -3.72 0.00 0.00 177.10 173.05 2wd8 s LEU 154 N -0.23 4.42 0.12 3.21 1.43 -1.26 -4.83 118.68 121.54 2wd8 s LEU 154 Ca 0.31 1.15 -0.22 0.00 -1.03 0.00 0.00 54.13 54.35 2wd8 s LEU 154 Cb 0.02 -2.91 0.06 0.00 0.03 0.00 0.00 46.19 43.39 2wd8 s LEU 154 CO -0.19 0.11 0.54 -0.94 0.23 0.00 0.00 176.35 176.10 2wd8 s SER 155 N -0.21 -0.47 -0.05 2.29 1.04 -0.78 -2.06 113.70 113.46 2wd8 s SER 155 Ca 0.31 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.79 2wd8 s SER 155 Cb -0.18 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.47 2wd8 s SER 155 CO 0.17 -0.88 -0.25 -0.63 0.98 0.00 0.00 173.24 172.64 2wd8 s ILE 156 N -3.39 2.13 -0.14 -1.02 1.01 0.70 -2.13 121.20 118.35 2wd8 s ILE 156 Ca -0.00 -1.06 0.02 0.00 0.00 0.00 0.00 60.65 59.62 2wd8 s ILE 156 Cb -0.00 -1.76 0.01 0.00 0.01 0.00 0.00 42.46 40.72 2wd8 s ILE 156 CO -0.10 0.57 -0.21 -0.69 0.00 0.00 0.00 174.94 174.52 2wd8 s VAL 157 N -0.33 2.02 -0.14 2.92 1.01 -0.00 -0.92 120.40 124.96 2wd8 s VAL 157 Ca 0.01 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 2wd8 s VAL 157 Cb -0.12 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.43 2wd8 s VAL 157 CO 0.02 0.54 0.06 0.20 0.00 0.00 0.00 175.10 175.92 2wd8 s ASN 158 N 0.87 5.64 -0.68 3.32 0.01 0.16 -1.13 114.94 123.13 2wd8 s ASN 158 Ca -0.06 0.17 -0.24 0.00 -0.71 0.00 0.00 52.86 52.02 2wd8 s ASN 158 Cb -0.15 -1.85 0.06 0.00 0.41 0.00 0.00 41.25 39.72 2wd8 s ASN 158 CO -0.03 0.27 1.06 -0.76 -1.51 0.00 0.00 177.10 176.14 2wd8 s LEU 159 N -0.24 3.99 0.00 0.60 2.01 -0.46 -1.12 118.68 123.47 2wd8 s LEU 159 Ca 0.08 -0.79 0.00 0.00 0.01 0.00 0.00 54.13 53.43 2wd8 s LEU 159 Cb -0.12 -2.49 0.00 0.00 0.01 0.00 0.00 46.19 43.59 2wd8 s LEU 159 CO 0.01 -1.55 0.00 0.00 1.01 0.00 0.00 176.35 175.82 2wd8 s ASP 161 N -1.00 1.97 0.55 0.00 2.15 -1.26 -3.94 116.67 115.14 2wd8 s ASP 161 Ca 0.00 -0.26 0.23 0.00 0.43 0.00 0.00 52.55 52.95 2wd8 s ASP 161 Cb 0.00 -0.61 1.50 0.00 -0.30 0.00 0.00 42.92 43.51 2wd8 s ASP 161 CO 0.00 -0.18 2.17 0.00 -0.17 0.00 0.00 175.17 176.99 2wd8 h ALA 162 N 8.26 1.87 -0.48 3.66 0.00 -1.37 -2.69 119.26 128.51 2wd8 h ALA 162 Ca -0.23 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wd8 h ALA 162 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wd8 h ALA 162 CO 0.32 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 178.16 2wd8 n MET 163 N -4.23 4.14 0.24 0.00 2.81 -1.26 -4.57 117.12 114.25 2wd8 n MET 163 Ca -0.01 -2.59 0.10 0.00 -1.81 0.00 0.00 57.70 53.38 2wd8 n MET 163 Cb 0.15 -2.10 0.61 0.00 -0.71 0.00 0.00 33.22 31.17 2wd8 n MET 163 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2wd8 h VAL 164 N 3.32 0.77 -0.63 2.03 3.04 -1.87 -0.56 116.25 122.34 2wd8 h VAL 164 Ca 0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 2wd8 h VAL 164 Cb 1.68 1.44 0.00 0.00 -2.01 0.00 0.00 31.29 32.40 2wd8 h VAL 164 CO 0.39 0.18 0.00 0.47 -1.01 0.00 0.00 177.57 177.60 2wd8 n ASP 165 N -3.80 3.81 -3.22 3.17 8.00 -1.26 -4.41 116.55 118.85 2wd8 n ASP 165 Ca -0.02 -2.00 -0.24 0.00 0.71 0.00 0.00 54.79 53.25 2wd8 n ASP 165 Cb 0.28 -0.42 -0.06 0.00 -0.02 0.00 0.00 41.12 40.90 2wd8 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wd8 n GLN 166 N 1.62 1.36 -1.59 -1.24 6.02 -0.22 -5.13 117.38 118.20 2wd8 n GLN 166 Ca 0.23 -3.70 -0.34 0.00 -0.01 0.00 0.00 57.00 53.18 2wd8 n GLN 166 Cb 0.62 -1.61 0.07 0.00 1.02 0.00 0.00 30.24 30.34 2wd8 n GLN 166 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wd8 s PRO 167 N -1.87 2.42 0.22 -1.09 0.04 -1.23 -4.91 135.00 128.57 2wd8 s PRO 167 Ca 0.38 1.65 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2wd8 s PRO 167 Cb 0.21 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.78 2wd8 s PRO 167 CO -0.08 -1.59 0.84 0.00 0.04 0.00 0.00 177.00 176.20 2wd8 n MET 169 N 1.26 1.98 -1.06 0.00 1.56 -1.26 -2.54 117.12 117.06 2wd8 n MET 169 Ca -0.03 0.71 -0.02 0.00 -0.27 0.00 0.00 57.70 58.09 2wd8 n MET 169 Cb 0.49 -2.41 -0.01 0.00 2.15 0.00 0.00 33.22 33.44 2wd8 n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wd8 n ALA 170 N 2.58 -0.03 -1.32 -5.12 0.00 -1.26 -4.91 120.51 110.45 2wd8 n ALA 170 Ca 0.15 0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.60 2wd8 n ALA 170 Cb 0.29 -0.59 0.21 0.00 0.00 0.00 0.00 19.45 19.36 2wd8 n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wd8 n PHE 171 N -2.77 1.14 -0.22 0.00 3.01 -1.05 0.41 117.46 117.97 2wd8 n PHE 171 Ca -0.02 -1.42 -0.04 0.00 1.01 0.00 0.00 57.45 56.98 2wd8 n PHE 171 Cb 0.15 -0.47 0.02 0.00 -0.01 0.00 0.00 39.48 39.18 2wd8 n PHE 171 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2wd8 h SER 172 N 1.19 -1.12 -0.29 4.37 0.87 -1.80 0.20 113.55 116.96 2wd8 h SER 172 Ca 0.18 0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.92 2wd8 h SER 172 Cb 1.66 0.57 -0.01 0.00 -0.44 0.00 0.00 62.40 64.19 2wd8 h SER 172 CO 0.38 -0.30 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.27 2wd8 h LEU 173 N -0.13 0.55 -0.65 2.23 3.38 -1.89 0.18 115.31 118.98 2wd8 h LEU 173 Ca 0.25 -0.35 0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wd8 h LEU 173 Cb 0.55 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 2wd8 h LEU 173 CO -0.71 0.77 0.37 0.22 0.09 0.00 0.00 178.44 179.18 2wd8 h TYR 174 N 0.32 0.69 -0.68 1.13 3.20 -1.71 -0.53 116.97 119.39 2wd8 h TYR 174 Ca 0.08 0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.90 2wd8 h TYR 174 Cb 0.51 -0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.54 2wd8 h TYR 174 CO 0.05 0.35 0.16 -0.97 -1.64 0.00 0.00 178.16 176.10 2wd8 h ASN 175 N 0.70 1.02 -0.48 -2.11 -1.24 -0.34 -1.62 115.58 111.52 2wd8 h ASN 175 Ca 0.28 -0.22 0.03 0.00 0.71 0.00 0.00 56.30 57.11 2wd8 h ASN 175 Cb 0.13 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.87 2wd8 h ASN 175 CO -0.16 0.99 0.26 0.24 -1.29 0.00 0.00 177.43 177.48 2wd8 h MET 176 N 1.02 0.51 -0.24 6.67 2.86 -0.27 0.13 114.93 125.62 2wd8 h MET 176 Ca 0.21 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 2wd8 h MET 176 Cb 0.37 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 2wd8 h MET 176 CO 0.00 0.34 0.16 0.78 1.06 0.00 0.00 176.91 179.25 2wd8 h GLY 177 N 0.52 0.34 1.87 8.32 0.00 -0.85 0.00 103.07 113.27 2wd8 h GLY 177 Ca 0.20 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2wd8 h GLY 177 CO -0.12 0.13 -0.07 0.50 0.00 0.00 0.00 176.54 176.98 2wd8 h LYS 178 N 0.32 0.16 -0.11 4.80 1.79 -0.99 -1.18 116.57 121.36 2wd8 h LYS 178 Ca 0.09 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.47 2wd8 h LYS 178 Cb -0.03 -0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2wd8 h LYS 178 CO -0.02 0.25 -0.15 0.45 -1.08 0.00 0.00 179.45 178.89 2wd8 h HIS 179 N 0.16 0.37 -0.87 -1.35 3.86 -0.54 -2.94 115.15 113.84 2wd8 h HIS 179 Ca 0.04 -0.12 0.16 0.00 -1.16 0.00 0.00 60.37 59.28 2wd8 h HIS 179 Cb 0.23 -0.07 -0.07 0.00 1.06 0.00 0.00 27.41 28.56 2wd8 h HIS 179 CO 0.00 0.75 0.57 0.00 0.86 0.00 0.00 177.93 180.11 2wd8 h ALA 180 N 0.56 1.94 -0.41 2.45 0.00 -0.62 -1.95 119.26 121.22 2wd8 h ALA 180 Ca 0.01 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wd8 h ALA 180 Cb 0.71 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2wd8 h ALA 180 CO 0.04 -0.19 0.07 1.25 0.00 0.00 0.00 179.25 180.42 2wd8 h LEU 181 N 0.60 0.57 -0.08 0.00 5.85 -1.09 0.85 115.31 122.01 2wd8 h LEU 181 Ca 0.44 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 2wd8 h LEU 181 Cb 0.82 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2wd8 h LEU 181 CO -0.19 0.59 0.03 0.58 -0.34 0.00 0.00 178.44 179.11 2wd8 h VAL 182 N 0.60 1.14 -0.59 1.05 2.07 -1.19 -0.05 116.25 119.28 2wd8 h VAL 182 Ca 0.13 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2wd8 h VAL 182 Cb 0.27 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 2wd8 h VAL 182 CO 0.00 0.12 0.36 1.23 0.02 0.00 0.00 177.57 179.30 2wd8 h GLY 183 N -0.02 0.84 0.79 2.17 0.00 -1.19 -1.11 103.07 104.55 2wd8 h GLY 183 Ca 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 47.33 47.11 2wd8 h GLY 183 CO -0.00 0.23 0.06 -2.00 0.00 0.00 0.00 176.54 174.83 2wd8 h LEU 184 N 0.72 0.04 -0.50 3.11 5.85 -0.78 0.16 115.31 123.90 2wd8 h LEU 184 Ca 0.24 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.05 2wd8 h LEU 184 Cb 0.01 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2wd8 h LEU 184 CO -0.10 0.06 0.17 0.74 -0.34 0.00 0.00 178.44 178.97 2wd8 h THR 185 N 0.15 0.82 -0.10 1.05 2.02 -0.31 0.15 112.91 116.68 2wd8 h THR 185 Ca 0.10 -0.12 -0.21 0.00 0.77 0.00 0.00 66.41 66.95 2wd8 h THR 185 Cb 0.08 0.44 0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2wd8 h THR 185 CO -0.11 0.06 -0.74 1.56 0.37 0.00 0.00 175.52 176.66 2wd8 h GLN 186 N 0.34 0.68 -0.20 6.66 4.20 -1.05 -2.03 115.11 123.71 2wd8 h GLN 186 Ca 0.24 -0.60 -0.02 0.00 0.06 0.00 0.00 58.65 58.34 2wd8 h GLN 186 Cb 0.27 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 2wd8 h GLN 186 CO -0.25 1.21 0.06 0.77 -0.67 0.00 0.00 178.83 179.94 2wd8 h SER 187 N 0.36 0.30 -0.03 1.46 0.02 -0.38 -2.55 113.55 112.73 2wd8 h SER 187 Ca -0.06 -0.21 -0.13 0.00 -0.84 0.00 0.00 61.79 60.54 2wd8 h SER 187 Cb 1.38 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.83 2wd8 h SER 187 CO 0.15 0.44 -0.40 0.00 -1.14 0.00 0.00 176.83 175.87 2wd8 h ALA 188 N 0.88 0.87 -0.53 3.77 0.00 -0.81 -1.25 119.26 122.19 2wd8 h ALA 188 Ca 0.06 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.60 2wd8 h ALA 188 Cb 0.25 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2wd8 h ALA 188 CO -0.00 0.64 0.23 0.00 0.00 0.00 0.00 179.25 180.12 2wd8 h ALA 189 N 1.11 0.67 -0.24 0.00 0.00 -1.25 0.18 119.26 119.73 2wd8 h ALA 189 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2wd8 h ALA 189 Cb 0.90 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 2wd8 h ALA 189 CO 0.08 -0.14 -0.04 1.25 0.00 0.00 0.00 179.25 180.39 2wd8 h LEU 190 N 0.45 0.45 -0.46 0.00 5.85 -1.27 -2.84 115.31 117.49 2wd8 h LEU 190 Ca 0.25 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 2wd8 h LEU 190 Cb 0.21 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 2wd8 h LEU 190 CO -0.21 0.70 -0.70 -0.08 -0.34 0.00 0.00 178.44 177.80 2wd8 h GLU 191 N 0.20 0.34 -0.02 1.25 4.81 -0.82 -3.22 114.58 117.11 2wd8 h GLU 191 Ca 0.06 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 59.02 2wd8 h GLU 191 Cb 0.49 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.93 2wd8 h GLU 191 CO 0.02 0.91 -0.11 1.28 -0.73 0.00 0.00 179.01 180.38 2wd8 n LEU 192 N -3.83 2.08 -0.20 1.64 4.77 0.59 -4.38 117.00 117.66 2wd8 n LEU 192 Ca -0.04 -0.69 -0.04 0.00 -0.03 0.00 0.00 56.01 55.21 2wd8 n LEU 192 Cb 0.69 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.83 2wd8 n LEU 192 CO 0.47 0.35 1.08 0.00 -1.33 0.00 0.00 177.39 177.96 2wd8 h ALA 193 N 4.33 0.77 0.00 -1.18 0.00 -1.51 -1.91 119.26 119.75 2wd8 h ALA 193 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wd8 h ALA 193 Cb 0.73 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2wd8 h ALA 193 CO 0.00 0.04 0.00 -1.35 0.00 0.00 0.00 179.25 177.94 2wd8 h PRO 194 N 0.66 0.00 -0.32 0.00 0.11 -1.80 0.86 132.00 131.50 2wd8 h PRO 194 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 2wd8 h PRO 194 Cb 0.09 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.20 2wd8 h PRO 194 CO -0.13 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.32 2wd8 n TYR 195 N -2.56 0.41 -1.40 0.65 4.02 -0.93 -4.95 117.16 112.41 2wd8 n TYR 195 Ca -0.01 -0.21 -0.14 0.00 -0.01 0.00 0.00 57.90 57.54 2wd8 n TYR 195 Cb 0.12 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.38 2wd8 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wd8 n GLY 196 N 1.29 1.43 3.61 2.72 0.00 0.29 -4.99 105.19 109.54 2wd8 n GLY 196 Ca 0.17 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2wd8 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wd8 s ILE 197 N -2.48 5.13 0.10 -0.61 1.01 -0.76 -4.28 121.20 119.32 2wd8 s ILE 197 Ca 0.00 0.70 -0.14 0.00 0.00 0.00 0.00 60.65 61.21 2wd8 s ILE 197 Cb 0.00 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 2wd8 s ILE 197 CO 0.00 0.13 0.50 -0.13 0.00 0.00 0.00 174.94 175.44 2wd8 s ARG 198 N 2.14 3.96 -0.11 2.79 0.52 -0.88 -3.73 118.95 123.64 2wd8 s ARG 198 Ca 0.18 0.45 -0.00 0.00 -0.52 0.00 0.00 55.73 55.84 2wd8 s ARG 198 Cb -0.16 -3.02 0.02 0.00 0.52 0.00 0.00 34.95 32.32 2wd8 s ARG 198 CO 0.10 0.54 -0.08 0.08 0.02 0.00 0.00 175.30 175.95 2wd8 s VAL 199 N -1.36 1.06 0.26 3.52 1.01 -1.26 -0.22 120.40 123.41 2wd8 s VAL 199 Ca 0.34 -0.32 0.02 0.00 0.00 0.00 0.00 61.98 62.02 2wd8 s VAL 199 Cb -0.16 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2wd8 s VAL 199 CO 0.18 0.37 0.20 0.20 0.00 0.00 0.00 175.10 176.05 2wd8 s ASN 200 N 1.56 0.78 0.06 3.32 0.01 -0.09 0.16 114.94 120.73 2wd8 s ASN 200 Ca 0.02 -1.53 0.03 0.00 -0.71 0.00 0.00 52.86 50.67 2wd8 s ASN 200 Cb -0.13 0.46 -0.03 0.00 0.41 0.00 0.00 41.25 41.96 2wd8 s ASN 200 CO -0.07 -0.94 -0.10 -0.83 -1.51 0.00 0.00 177.10 173.66 2wd8 s GLY 201 N -3.25 0.66 -0.13 0.66 0.00 0.24 -0.66 107.32 104.85 2wd8 s GLY 201 Ca 0.39 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 44.20 2wd8 s GLY 201 CO 0.18 -0.99 -0.20 0.14 0.00 0.00 0.00 173.10 172.24 2wd8 s VAL 202 N -1.71 2.38 -0.48 1.40 1.01 -0.28 -1.02 120.40 121.70 2wd8 s VAL 202 Ca -0.04 -0.89 -0.00 0.00 0.00 0.00 0.00 61.98 61.05 2wd8 s VAL 202 Cb -0.08 -1.96 0.13 0.00 0.00 0.00 0.00 36.38 34.47 2wd8 s VAL 202 CO 0.00 0.54 0.25 0.00 0.00 0.00 0.00 175.10 175.90 2wd8 s ALA 203 N 0.55 3.26 0.58 5.51 0.00 0.11 -0.20 121.76 131.57 2wd8 s ALA 203 Ca -0.12 -2.90 -0.17 0.00 0.00 0.00 0.00 51.96 48.77 2wd8 s ALA 203 Cb -0.17 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2wd8 s ALA 203 CO 0.04 -1.91 1.08 -2.14 0.00 0.00 0.00 175.76 172.83 2wd8 s PRO 204 N 0.45 3.29 0.00 0.00 0.02 -1.25 -0.57 135.00 136.93 2wd8 s PRO 204 Ca 0.13 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.50 2wd8 s PRO 204 Cb -0.22 -2.02 0.00 0.00 0.02 0.00 0.00 34.50 32.28 2wd8 s PRO 204 CO -0.04 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.19 2wd8 n GLY 205 N -0.53 0.69 3.31 0.52 0.00 -1.22 -1.41 105.19 106.54 2wd8 n GLY 205 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2wd8 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wd8 s VAL 206 N 0.00 2.63 0.00 1.61 1.01 -1.26 -4.87 120.40 119.52 2wd8 s VAL 206 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2wd8 s VAL 206 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2wd8 s VAL 206 CO 0.00 0.54 0.00 -0.24 0.00 0.00 0.00 175.10 175.40 2wd8 n SER 207 N 3.45 0.00 -4.67 3.32 2.88 -1.26 -1.19 113.62 116.16 2wd8 n SER 207 Ca -0.18 0.00 -0.49 0.00 -1.33 0.00 0.00 58.87 56.87 2wd8 n SER 207 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 2wd8 n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wd8 n LEU 208 N 0.00 2.93 -4.87 2.46 4.77 -1.23 -4.57 117.00 116.49 2wd8 n LEU 208 Ca 0.00 1.05 -0.31 0.00 -0.03 0.00 0.00 56.01 56.72 2wd8 n LEU 208 Cb 0.00 -1.34 -0.01 0.00 -2.33 0.00 0.00 43.42 39.74 2wd8 n LEU 208 CO 0.00 -0.33 0.61 -0.76 -1.33 0.00 0.00 177.39 175.58 2wd8 s LEU 209 N 2.29 3.53 0.35 2.23 1.43 -1.26 -5.01 118.68 122.24 2wd8 s LEU 209 Ca 0.87 1.33 -0.26 0.00 -1.03 0.00 0.00 54.13 55.05 2wd8 s LEU 209 Cb -0.77 -4.30 -0.13 0.00 0.03 0.00 0.00 46.19 41.02 2wd8 s LEU 209 CO 0.47 -0.64 0.87 -2.65 0.23 0.00 0.00 176.35 174.63 2wd8 n PRO 210 N -2.02 1.09 -0.09 1.29 -0.02 -1.26 -4.92 135.00 129.07 2wd8 n PRO 210 Ca 0.05 0.39 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2wd8 n PRO 210 Cb 0.54 -1.78 0.01 0.00 -0.02 0.00 0.00 33.50 32.25 2wd8 n PRO 210 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wd8 h VAL 211 N 1.51 0.84 0.00 -1.45 2.07 -2.03 -2.98 116.25 114.20 2wd8 h VAL 211 Ca -0.40 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 2wd8 h VAL 211 Cb 1.36 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2wd8 h VAL 211 CO 0.57 0.03 -0.04 0.00 0.02 0.00 0.00 177.57 178.15 2wd8 h ALA 212 N 1.24 1.79 -2.75 1.67 0.00 -2.05 -3.44 119.26 115.71 2wd8 h ALA 212 Ca 0.15 -0.04 -0.53 0.00 0.00 0.00 0.00 54.91 54.49 2wd8 h ALA 212 Cb 0.17 -0.01 0.06 0.00 0.00 0.00 0.00 17.79 18.01 2wd8 h ALA 212 CO -0.20 0.05 0.79 1.41 0.00 0.00 0.00 179.25 181.30 2wd8 s MET 213 N -4.84 4.23 0.73 0.00 0.00 -1.13 -5.02 119.30 113.28 2wd8 s MET 213 Ca -0.05 2.37 -0.11 0.00 0.00 0.00 0.00 55.69 57.90 2wd8 s MET 213 Cb 0.16 -3.09 0.03 0.00 0.00 0.00 0.00 34.83 31.93 2wd8 s MET 213 CO 0.64 -0.47 1.07 0.20 0.00 0.00 0.00 175.02 176.46 2wd8 s GLY 214 N 0.42 1.65 0.26 2.11 0.00 -1.26 -4.92 107.32 105.57 2wd8 s GLY 214 Ca 0.61 -0.02 0.06 0.00 0.00 0.00 0.00 44.72 45.37 2wd8 s GLY 214 CO 0.44 0.33 1.60 -2.09 0.00 0.00 0.00 173.10 173.38 2wd8 h GLU 215 N -0.85 0.19 -0.39 2.90 4.81 -1.99 -2.13 114.58 117.13 2wd8 h GLU 215 Ca -0.45 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 58.53 2wd8 h GLU 215 Cb 1.23 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 2wd8 h GLU 215 CO 0.58 0.70 -0.30 1.49 -0.73 0.00 0.00 179.01 180.75 2wd8 h GLU 216 N 0.14 0.85 -0.39 1.92 4.81 -2.00 -2.61 114.58 117.31 2wd8 h GLU 216 Ca -0.00 -0.39 -0.04 0.00 -0.13 0.00 0.00 59.36 58.80 2wd8 h GLU 216 Cb 1.04 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.39 2wd8 h GLU 216 CO 0.08 1.04 0.10 1.49 -0.73 0.00 0.00 179.01 180.99 2wd8 h GLU 217 N 0.72 0.62 -0.85 1.92 4.81 -1.94 -2.26 114.58 117.61 2wd8 h GLU 217 Ca 0.08 -0.15 0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2wd8 h GLU 217 Cb 0.85 -0.08 -0.08 0.00 0.63 0.00 0.00 28.75 30.07 2wd8 h GLU 217 CO 0.08 0.64 0.46 0.87 -0.73 0.00 0.00 179.01 180.33 2wd8 h LYS 218 N 0.48 0.69 0.00 1.92 1.57 -1.28 -1.92 116.57 118.04 2wd8 h LYS 218 Ca 0.12 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 2wd8 h LYS 218 Cb 0.30 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2wd8 h LYS 218 CO 0.00 0.46 -0.63 -0.44 -0.57 0.00 0.00 179.45 178.26 2wd8 h ASP 219 N 0.71 0.00 -0.35 0.86 3.32 -1.29 -1.20 116.42 118.46 2wd8 h ASP 219 Ca 0.44 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.49 2wd8 h ASP 219 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 2wd8 h ASP 219 CO -0.31 0.63 0.21 0.50 -1.72 0.00 0.00 179.24 178.55 2wd8 h LYS 220 N 0.00 0.48 -0.14 3.56 3.64 -0.76 -1.07 116.57 122.29 2wd8 h LYS 220 Ca -0.01 -0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 2wd8 h LYS 220 Cb 1.37 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2wd8 h LYS 220 CO 0.08 0.36 -0.58 -1.49 -2.27 0.00 0.00 179.45 175.55 2wd8 h TRP 221 N 0.46 0.85 -0.90 1.91 4.06 -1.38 -3.20 115.95 117.74 2wd8 h TRP 221 Ca 0.13 -0.36 0.10 0.00 2.06 0.00 0.00 58.89 60.81 2wd8 h TRP 221 Cb 0.01 -0.13 -0.08 0.00 -1.00 0.00 0.00 29.16 27.96 2wd8 h TRP 221 CO -0.04 1.16 0.54 0.00 -3.56 0.00 0.00 178.44 176.54 2wd8 h ARG 222 N 0.29 0.87 0.00 0.49 3.08 -1.20 -2.36 114.38 115.56 2wd8 h ARG 222 Ca -0.03 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.96 2wd8 h ARG 222 Cb 1.22 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2wd8 h ARG 222 CO 0.12 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.60 2wd8 h ARG 223 N 0.90 0.00 0.00 0.04 3.08 -1.18 -2.88 114.38 114.34 2wd8 h ARG 223 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2wd8 h ARG 223 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wd8 h ARG 223 CO -0.24 0.00 -0.06 0.87 -1.07 0.00 0.00 179.97 179.47 2wd8 h LYS 224 N 0.00 0.00 -6.17 0.04 1.57 -1.52 -3.45 116.57 107.04 2wd8 h LYS 224 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2wd8 h LYS 224 Cb 0.13 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.35 2wd8 h LYS 224 CO 0.00 0.00 0.65 0.08 -0.57 0.00 0.00 179.45 179.61 2wd8 s VAL 225 N -3.15 4.53 0.22 0.50 1.01 -1.09 -4.83 120.40 117.60 2wd8 s VAL 225 Ca 0.09 1.20 -0.08 0.00 0.00 0.00 0.00 61.98 63.19 2wd8 s VAL 225 Cb 0.10 -4.38 0.17 0.00 0.00 0.00 0.00 36.38 32.27 2wd8 s VAL 225 CO 0.63 -0.60 1.83 -0.65 0.00 0.00 0.00 175.10 176.31 2wd8 h PRO 226 N 8.57 0.80 -5.98 2.72 0.11 -1.85 -1.09 132.00 135.28 2wd8 h PRO 226 Ca -0.23 -0.05 -0.62 0.00 0.11 0.00 0.00 66.00 65.22 2wd8 h PRO 226 Cb 1.07 -0.18 -0.09 0.00 0.11 0.00 0.00 31.00 31.92 2wd8 h PRO 226 CO 1.00 0.53 1.76 -1.17 -0.21 0.00 0.00 178.00 179.91 2wd8 s LEU 227 N -10.22 3.62 0.00 2.35 2.96 -0.27 -4.12 118.68 113.00 2wd8 s LEU 227 Ca -0.13 -1.84 0.00 0.00 -0.22 0.00 0.00 54.13 51.94 2wd8 s LEU 227 Cb 0.17 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.28 2wd8 s LEU 227 CO 0.77 -1.45 0.00 0.61 -1.32 0.00 0.00 176.35 174.96 2wd8 n GLY 228 N 6.25 0.79 3.03 7.98 0.00 -1.26 -4.19 105.19 117.79 2wd8 n GLY 228 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 2wd8 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd8 n ARG 229 N -2.00 -4.91 -4.00 1.61 3.00 -0.41 -4.96 116.66 104.99 2wd8 n ARG 229 Ca 0.00 0.90 -0.08 0.00 -0.01 0.00 0.00 57.85 58.66 2wd8 n ARG 229 Cb 0.00 -5.77 -0.09 0.00 0.00 0.00 0.00 32.46 26.60 2wd8 n ARG 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wd8 s ARG 230 N -5.72 0.78 0.52 5.56 1.70 -1.20 -4.22 118.95 116.38 2wd8 s ARG 230 Ca 0.31 -1.15 -0.14 0.00 -0.47 0.00 0.00 55.73 54.28 2wd8 s ARG 230 Cb -0.14 0.28 -0.07 0.00 -0.57 0.00 0.00 34.95 34.45 2wd8 s ARG 230 CO 0.38 -0.21 0.96 -1.83 -1.08 0.00 0.00 175.30 173.52 2wd8 s GLU 231 N -3.92 3.83 0.28 3.89 1.03 -1.26 -4.83 118.70 117.72 2wd8 s GLU 231 Ca 0.09 0.81 -0.30 0.00 0.03 0.00 0.00 54.97 55.61 2wd8 s GLU 231 Cb 0.06 -2.17 -0.10 0.00 -0.80 0.00 0.00 34.13 31.12 2wd8 s GLU 231 CO -0.08 -0.31 1.44 0.00 -1.33 0.00 0.00 175.26 174.99 2wd8 s ALA 232 N -2.73 3.61 0.68 -0.84 0.00 -0.33 -4.94 121.76 117.22 2wd8 s ALA 232 Ca 0.56 1.38 -0.14 0.00 0.00 0.00 0.00 51.96 53.76 2wd8 s ALA 232 Cb -0.10 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.47 2wd8 s ALA 232 CO 0.37 -0.79 1.10 -1.54 0.00 0.00 0.00 175.76 174.90 2wd8 s SER 233 N 0.17 5.02 0.37 0.00 1.04 -1.26 -3.53 113.70 115.50 2wd8 s SER 233 Ca 0.57 1.95 0.06 0.00 0.48 0.00 0.00 55.95 59.01 2wd8 s SER 233 Cb -0.43 -2.54 0.76 0.00 0.10 0.00 0.00 66.02 63.91 2wd8 s SER 233 CO 0.48 -1.69 2.00 0.00 0.98 0.00 0.00 173.24 175.00 2wd8 h ALA 234 N -0.21 1.69 -0.49 5.32 0.00 -1.95 -2.77 119.26 120.84 2wd8 h ALA 234 Ca -0.46 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2wd8 h ALA 234 Cb 1.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2wd8 h ALA 234 CO 0.54 0.24 -0.17 0.93 0.00 0.00 0.00 179.25 180.78 2wd8 h GLU 235 N 0.72 0.97 -0.73 0.00 3.07 -1.92 -1.67 114.58 115.02 2wd8 h GLU 235 Ca 0.26 -0.39 0.00 0.00 -0.50 0.00 0.00 59.36 58.73 2wd8 h GLU 235 Cb 0.12 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 2wd8 h GLU 235 CO -0.07 1.06 0.46 1.96 -1.40 0.00 0.00 179.01 181.02 2wd8 h GLN 236 N 0.85 0.97 -0.12 2.33 4.20 -1.88 0.48 115.11 121.95 2wd8 h GLN 236 Ca 0.12 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2wd8 h GLN 236 Cb 0.73 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 2wd8 h GLN 236 CO 0.06 0.66 -0.03 0.82 -0.67 0.00 0.00 178.83 179.67 2wd8 h ILE 237 N 0.99 1.29 -0.82 2.54 1.08 -1.27 -3.19 117.51 118.14 2wd8 h ILE 237 Ca 0.26 -0.96 0.09 0.00 -0.39 0.00 0.00 64.86 63.86 2wd8 h ILE 237 Cb -0.08 1.69 -0.06 0.00 -3.07 0.00 0.00 36.82 35.30 2wd8 h ILE 237 CO -0.05 0.28 0.53 0.00 -0.69 0.00 0.00 178.15 178.22 2wd8 h ALA 238 N 0.69 1.69 -0.98 1.87 0.00 -0.83 -2.03 119.26 119.67 2wd8 h ALA 238 Ca 0.03 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2wd8 h ALA 238 Cb 0.44 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 2wd8 h ALA 238 CO 0.01 0.16 0.63 -0.44 0.00 0.00 0.00 179.25 179.61 2wd8 h ASP 239 N 0.81 0.93 0.38 0.00 3.32 -0.90 0.53 116.42 121.50 2wd8 h ASP 239 Ca 0.37 0.03 -0.16 0.00 0.02 0.00 0.00 57.03 57.29 2wd8 h ASP 239 Cb 0.37 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 2wd8 h ASP 239 CO -0.14 0.53 -0.66 0.00 -1.72 0.00 0.00 179.24 177.25 2wd8 h ALA 240 N 1.52 0.77 -0.35 3.45 0.00 -1.44 -1.56 119.26 121.65 2wd8 h ALA 240 Ca 0.46 -0.58 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2wd8 h ALA 240 Cb 0.39 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wd8 h ALA 240 CO -0.22 0.76 -0.19 0.28 0.00 0.00 0.00 179.25 179.88 2wd8 h VAL 241 N 0.18 1.29 -0.43 0.00 2.07 -1.19 -2.43 116.25 115.75 2wd8 h VAL 241 Ca -0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.20 2wd8 h VAL 241 Cb 1.19 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 32.33 2wd8 h VAL 241 CO 0.10 0.43 0.28 0.40 0.02 0.00 0.00 177.57 178.80 2wd8 h ILE 242 N 0.52 1.11 -0.37 4.57 1.08 -0.78 -1.99 117.51 121.65 2wd8 h ILE 242 Ca 0.07 -0.21 0.04 0.00 -0.39 0.00 0.00 64.86 64.37 2wd8 h ILE 242 Cb 0.73 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.94 2wd8 h ILE 242 CO 0.05 0.11 0.14 0.15 -0.69 0.00 0.00 178.15 177.91 2wd8 h PHE 243 N 0.58 0.25 -0.23 1.37 3.57 -1.25 -2.34 116.94 118.89 2wd8 h PHE 243 Ca 0.16 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2wd8 h PHE 243 Cb -0.06 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2wd8 h PHE 243 CO -0.04 0.11 -0.11 -0.07 -2.23 0.00 0.00 178.31 175.96 2wd8 h LEU 244 N 0.30 0.36 0.00 0.59 3.38 -1.21 -2.35 115.31 116.37 2wd8 h LEU 244 Ca 0.17 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wd8 h LEU 244 Cb 0.13 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wd8 h LEU 244 CO -0.16 0.51 -0.24 -0.37 0.09 0.00 0.00 178.44 178.26 2wd8 h VAL 245 N 0.35 0.00 -4.43 1.22 -1.51 -1.21 -3.44 116.25 107.23 2wd8 h VAL 245 Ca 0.07 -0.52 -0.48 0.00 -1.23 0.00 0.00 66.70 64.54 2wd8 h VAL 245 Cb 0.42 1.36 0.10 0.00 -2.13 0.00 0.00 31.29 31.04 2wd8 h VAL 245 CO 0.02 0.00 0.38 -0.94 -1.23 0.00 0.00 177.57 175.81 2wd8 s SER 246 N -4.53 4.84 0.58 4.19 1.04 -0.88 -4.94 113.70 114.00 2wd8 s SER 246 Ca 0.09 1.10 0.34 0.00 0.48 0.00 0.00 55.95 57.96 2wd8 s SER 246 Cb 0.12 -1.81 1.84 0.00 0.10 0.00 0.00 66.02 66.28 2wd8 s SER 246 CO 0.65 -1.73 2.03 1.23 0.98 0.00 0.00 173.24 176.40 2wd8 h GLY 247 N -0.92 0.00 1.19 7.32 0.00 -1.91 -1.79 103.07 106.96 2wd8 h GLY 247 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2wd8 h GLY 247 CO 0.63 0.00 -0.00 1.44 0.00 0.00 0.00 176.54 178.61 2wd8 n SER 248 N -2.80 0.00 -0.30 0.19 7.64 -1.26 -3.53 113.62 113.55 2wd8 n SER 248 Ca -0.02 -0.70 0.08 0.00 1.01 0.00 0.00 58.87 59.23 2wd8 n SER 248 Cb 0.18 -0.10 0.17 0.00 -1.01 0.00 0.00 64.21 63.45 2wd8 n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd8 n ALA 249 N -1.10 2.83 0.31 -0.43 0.00 -0.67 -4.88 120.51 116.57 2wd8 n ALA 249 Ca 0.21 -2.88 0.20 0.00 0.00 0.00 0.00 53.44 50.96 2wd8 n ALA 249 Cb 0.16 -0.37 0.95 0.00 0.00 0.00 0.00 19.45 20.19 2wd8 n ALA 249 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wd8 h GLN 250 N 0.41 0.00 -0.39 0.00 1.08 -1.70 -0.27 115.11 114.25 2wd8 h GLN 250 Ca -0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2wd8 h GLN 250 Cb 1.01 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.44 2wd8 h GLN 250 CO 0.00 0.00 0.00 0.98 -0.95 0.00 0.00 178.83 178.86 2wd8 n TYR 251 N -2.97 0.51 -3.60 2.96 9.36 -1.26 -4.91 117.16 117.25 2wd8 n TYR 251 Ca -0.01 -0.38 -0.39 0.00 3.32 0.00 0.00 57.90 60.43 2wd8 n TYR 251 Cb 0.15 -0.01 -0.11 0.00 -0.63 0.00 0.00 39.34 38.74 2wd8 n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2wd8 s ILE 252 N -1.08 5.03 -0.04 2.97 1.01 -0.11 -5.04 121.20 123.93 2wd8 s ILE 252 Ca 0.30 -0.17 -0.13 0.00 0.00 0.00 0.00 60.65 60.65 2wd8 s ILE 252 Cb 0.16 -3.51 0.02 0.00 0.01 0.00 0.00 42.46 39.15 2wd8 s ILE 252 CO 0.22 0.11 0.29 0.28 0.00 0.00 0.00 174.94 175.84 2wd8 s THR 253 N 1.69 0.05 -0.07 2.92 -1.32 -1.26 -4.71 115.64 112.94 2wd8 s THR 253 Ca 0.06 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 2wd8 s THR 253 Cb -0.17 -0.55 0.00 0.00 -1.51 0.00 0.00 72.50 70.27 2wd8 s THR 253 CO 0.09 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.90 2wd8 n GLY 254 N 1.72 0.47 3.80 6.08 0.00 0.12 -4.95 105.19 112.43 2wd8 n GLY 254 Ca -0.19 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 2wd8 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wd8 s SER 255 N -2.23 5.92 -0.25 1.61 0.01 -1.26 -4.84 113.70 112.67 2wd8 s SER 255 Ca 0.00 0.34 0.00 0.00 1.31 0.00 0.00 55.95 57.60 2wd8 s SER 255 Cb 0.00 -1.83 0.04 0.00 0.21 0.00 0.00 66.02 64.43 2wd8 s SER 255 CO 0.00 0.39 -0.09 -0.63 0.41 0.00 0.00 173.24 173.32 2wd8 s ILE 256 N -0.95 2.56 -0.24 1.44 1.01 -1.26 -0.59 121.20 123.17 2wd8 s ILE 256 Ca 0.14 -1.22 -0.17 0.00 0.00 0.00 0.00 60.65 59.41 2wd8 s ILE 256 Cb -0.12 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.98 2wd8 s ILE 256 CO 0.03 0.16 0.44 -0.63 0.00 0.00 0.00 174.94 174.94 2wd8 s ILE 257 N 1.25 5.14 0.17 2.92 1.01 -0.19 -4.89 121.20 126.62 2wd8 s ILE 257 Ca -0.02 0.76 -0.30 0.00 0.00 0.00 0.00 60.65 61.09 2wd8 s ILE 257 Cb -0.17 -3.76 -0.08 0.00 0.01 0.00 0.00 42.46 38.46 2wd8 s ILE 257 CO -0.06 0.17 1.10 -0.54 0.00 0.00 0.00 174.94 175.62 2wd8 s LYS 258 N 1.84 4.59 -0.64 2.79 1.02 -1.26 0.09 119.74 128.16 2wd8 s LYS 258 Ca 0.19 1.72 0.05 0.00 0.02 0.00 0.00 55.97 57.96 2wd8 s LYS 258 Cb -0.15 -3.28 0.20 0.00 -0.52 0.00 0.00 37.83 34.08 2wd8 s LYS 258 CO 0.09 0.06 0.57 0.28 -0.92 0.00 0.00 175.35 175.43 2wd8 n VAL 259 N 2.40 1.44 -0.56 3.17 0.31 0.26 -4.87 118.33 120.48 2wd8 n VAL 259 Ca 0.03 -4.79 0.00 0.00 -0.01 0.00 0.00 64.34 59.57 2wd8 n VAL 259 Cb 0.46 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 2wd8 n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wd8 n ASP 260 N 1.64 0.77 -2.23 4.52 5.75 -1.26 -3.42 116.55 122.32 2wd8 n ASP 260 Ca 0.24 -1.34 -0.14 0.00 -0.01 0.00 0.00 54.79 53.54 2wd8 n ASP 260 Cb 0.39 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 2wd8 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wd8 n GLY 261 N -0.17 -0.13 1.85 6.12 0.00 -1.26 -0.79 105.19 110.82 2wd8 n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wd8 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wd8 n GLY 262 N -0.74 1.01 0.22 -0.02 0.00 -1.26 -1.12 105.19 103.29 2wd8 n GLY 262 Ca -0.17 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 2wd8 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wd8 h LEU 263 N 0.00 -0.31 -1.05 0.99 5.85 -1.28 -1.10 115.31 118.41 2wd8 h LEU 263 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2wd8 h LEU 263 Cb 0.00 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2wd8 h LEU 263 CO 0.00 -0.12 0.00 -1.54 -0.34 0.00 0.00 178.44 176.44 2wd8 n SER 264 N -5.29 0.57 -0.07 1.25 3.41 -1.26 -1.95 113.62 110.29 2wd8 n SER 264 Ca 0.07 0.71 0.13 0.00 -0.26 0.00 0.00 58.87 59.52 2wd8 n SER 264 Cb 0.32 -0.80 0.47 0.00 -0.26 0.00 0.00 64.21 63.93 2wd8 n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wd8 n LEU 265 N -2.21 0.43 -4.63 1.04 4.77 -0.42 -4.88 117.00 111.11 2wd8 n LEU 265 Ca 0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 2wd8 n LEU 265 Cb 0.12 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2wd8 n LEU 265 CO 0.13 0.09 0.49 -0.69 -1.33 0.00 0.00 177.39 176.08 2wd8 s VAL 266 N -2.77 4.92 0.88 4.08 1.01 -0.82 -5.05 120.40 122.65 2wd8 s VAL 266 Ca 0.19 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.32 2wd8 s VAL 266 Cb 0.19 -4.01 0.12 0.00 0.00 0.00 0.00 36.38 32.68 2wd8 s VAL 266 CO 0.56 -0.03 1.10 -1.38 0.00 0.00 0.00 175.10 175.35 2wd8 s HIS 267 N 2.65 2.20 -1.11 5.22 -3.43 -1.26 -5.10 115.29 114.46 2wd8 s HIS 267 Ca 0.29 1.44 0.00 0.00 -0.80 0.00 0.00 55.06 55.99 2wd8 s HIS 267 Cb -0.15 -3.15 0.00 0.00 -1.43 0.00 0.00 32.58 27.85 2wd8 s HIS 267 CO 0.08 -2.39 0.28 0.00 -2.00 0.00 0.00 174.74 170.71