#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 3.16 0.96 4.31 0.00 -1.26 -5.02 121.76 123.90 2wd8 s ALA 3 Ca 0.00 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.16 2wd8 s ALA 3 Cb 0.00 -3.53 0.17 0.00 0.00 0.00 0.00 23.12 19.75 2wd8 s ALA 3 CO 0.00 -1.05 1.09 -1.25 0.00 0.00 0.00 175.76 174.54 2wd8 s PRO 4 N -2.47 0.72 -0.02 0.00 0.04 -1.26 -4.76 135.00 127.25 2wd8 s PRO 4 Ca 0.61 0.85 0.05 0.00 0.04 0.00 0.00 61.00 62.55 2wd8 s PRO 4 Cb -0.40 -1.74 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 2wd8 s PRO 4 CO 0.51 -2.62 -0.16 0.00 0.04 0.00 0.00 177.00 174.76 2wd8 s ALA 5 N -2.83 1.37 0.02 8.56 0.00 -1.26 -0.57 121.76 127.05 2wd8 s ALA 5 Ca 0.65 -0.68 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2wd8 s ALA 5 Cb -0.20 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 2wd8 s ALA 5 CO 0.58 0.31 -0.18 0.00 0.00 0.00 0.00 175.76 176.47 2wd8 s ALA 6 N -0.25 1.53 -0.19 0.00 0.00 0.51 0.11 121.76 123.47 2wd8 s ALA 6 Ca 0.03 -0.89 -0.07 0.00 0.00 0.00 0.00 51.96 51.03 2wd8 s ALA 6 Cb -0.08 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2wd8 s ALA 6 CO 0.00 0.35 0.04 0.08 0.00 0.00 0.00 175.76 176.23 2wd8 s VAL 7 N -0.65 4.53 -0.18 0.00 1.01 -0.04 0.33 120.40 125.40 2wd8 s VAL 7 Ca 0.06 -0.12 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2wd8 s VAL 7 Cb -0.08 -3.04 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2wd8 s VAL 7 CO 0.01 0.45 -0.17 -0.69 0.00 0.00 0.00 175.10 174.69 2wd8 s VAL 8 N 0.58 1.93 0.39 2.92 1.01 -0.68 -0.89 120.40 125.66 2wd8 s VAL 8 Ca 0.02 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 2wd8 s VAL 8 Cb -0.13 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 2wd8 s VAL 8 CO 0.02 0.46 0.92 0.42 0.00 0.00 0.00 175.10 176.91 2wd8 s THR 9 N 1.33 4.39 -1.30 3.92 -4.23 -0.95 -1.43 115.64 117.37 2wd8 s THR 9 Ca 0.04 1.49 -0.00 0.00 -1.18 0.00 0.00 61.69 62.04 2wd8 s THR 9 Cb -0.14 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 70.01 2wd8 s THR 9 CO -0.12 -0.20 0.71 0.61 -0.54 0.00 0.00 174.62 175.09 2wd8 n GLY 10 N -0.33 -0.29 0.85 3.99 0.00 -1.09 -3.16 105.19 105.17 2wd8 n GLY 10 Ca 0.05 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.26 2.48 0.09 4.61 0.00 0.41 -3.98 120.51 119.87 2wd8 n ALA 11 Ca -0.30 -0.68 -0.06 0.00 0.00 0.00 0.00 53.44 52.40 2wd8 n ALA 11 Cb 0.68 -0.93 0.05 0.00 0.00 0.00 0.00 19.45 19.25 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 4.53 0.69 -2.31 0.00 0.00 -1.87 -2.85 119.26 117.44 2wd8 h ALA 12 Ca 0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2wd8 h ALA 12 Cb 0.84 -0.09 -0.15 0.00 0.00 0.00 0.00 17.79 18.39 2wd8 h ALA 12 CO 0.00 0.86 -0.60 0.15 0.00 0.00 0.00 179.25 179.65 2wd8 s LYS 13 N -3.41 0.68 7.66 0.00 1.02 -1.26 -4.51 119.74 119.93 2wd8 s LYS 13 Ca -0.03 -1.17 0.00 0.00 0.02 0.00 0.00 55.97 54.79 2wd8 s LYS 13 Cb 0.11 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.66 2wd8 s LYS 13 CO 0.81 -0.16 0.00 0.54 -0.92 0.00 0.00 175.35 175.62 2wd8 n ARG 14 N 0.06 0.00 -0.07 1.68 1.74 -1.26 -2.36 116.66 116.45 2wd8 n ARG 14 Ca -0.14 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.83 2wd8 n ARG 14 Cb 0.61 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 32.01 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 1.24 -0.74 0.55 2.04 -1.90 -2.54 117.51 116.15 2wd8 h ILE 15 Ca 0.00 -0.80 0.11 0.00 1.00 0.00 0.00 64.86 65.16 2wd8 h ILE 15 Cb 0.00 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.33 2wd8 h ILE 15 CO 0.00 0.25 0.36 1.23 0.00 0.00 0.00 178.15 179.99 2wd8 h GLY 16 N 0.17 1.13 1.00 5.37 0.00 -1.67 -1.68 103.07 107.40 2wd8 h GLY 16 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2wd8 h GLY 16 CO 0.01 0.02 0.44 -0.09 0.00 0.00 0.00 176.54 176.92 2wd8 h ARG 17 N 0.59 0.95 -0.51 4.80 2.43 -1.22 -1.66 114.38 119.76 2wd8 h ARG 17 Ca 0.38 -0.08 -0.10 0.00 -0.81 0.00 0.00 59.98 59.37 2wd8 h ARG 17 Cb 0.45 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2wd8 h ARG 17 CO -0.30 0.66 -0.09 0.00 -1.51 0.00 0.00 179.97 178.73 2wd8 h ALA 18 N 1.24 0.70 0.09 2.80 0.00 -0.91 -0.21 119.26 122.97 2wd8 h ALA 18 Ca 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2wd8 h ALA 18 Cb -0.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.54 2wd8 h ALA 18 CO -0.05 0.59 -0.04 0.82 0.00 0.00 0.00 179.25 180.57 2wd8 h ILE 19 N 0.83 0.97 -0.61 0.00 2.04 -1.32 -0.56 117.51 118.86 2wd8 h ILE 19 Ca 0.13 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.86 2wd8 h ILE 19 Cb 0.64 1.10 -0.06 0.00 -0.74 0.00 0.00 36.82 37.76 2wd8 h ILE 19 CO 0.04 0.05 0.30 0.00 0.00 0.00 0.00 178.15 178.54 2wd8 h ALA 20 N 0.69 0.80 -0.19 1.87 0.00 -1.11 0.05 119.26 121.36 2wd8 h ALA 20 Ca -0.01 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wd8 h ALA 20 Cb 0.18 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wd8 h ALA 20 CO 0.02 -0.06 0.11 0.28 0.00 0.00 0.00 179.25 179.60 2wd8 h VAL 21 N 0.55 1.02 -0.27 0.00 2.07 -0.97 -0.98 116.25 117.67 2wd8 h VAL 21 Ca 0.28 -0.08 -0.13 0.00 0.82 0.00 0.00 66.70 67.59 2wd8 h VAL 21 Cb 0.23 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2wd8 h VAL 21 CO -0.21 0.04 -0.39 0.11 0.02 0.00 0.00 177.57 177.14 2wd8 h LYS 22 N 0.23 0.63 -0.11 1.57 1.57 -0.77 0.18 116.57 119.87 2wd8 h LYS 22 Ca 0.08 -0.31 0.01 0.00 -1.87 0.00 0.00 60.65 58.56 2wd8 h LYS 22 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2wd8 h LYS 22 CO -0.04 0.91 0.01 -0.07 -0.57 0.00 0.00 179.45 179.69 2wd8 h LEU 23 N 0.52 -0.01 -0.72 2.94 3.38 -0.96 -1.04 115.31 119.40 2wd8 h LEU 23 Ca 0.05 0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.08 2wd8 h LEU 23 Cb 0.90 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 2wd8 h LEU 23 CO 0.08 0.01 0.44 -0.74 0.09 0.00 0.00 178.44 178.33 2wd8 h HIS 24 N 0.06 0.83 0.00 1.13 2.76 -0.65 -0.93 115.15 118.35 2wd8 h HIS 24 Ca 0.05 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2wd8 h HIS 24 Cb 0.05 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 2wd8 h HIS 24 CO -0.12 0.45 -0.28 1.96 -1.30 0.00 0.00 177.93 178.64 2wd8 h GLN 25 N 0.85 0.00 0.00 5.26 4.20 -0.48 -1.70 115.11 123.24 2wd8 h GLN 25 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 2wd8 h GLN 25 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 2wd8 h GLN 25 CO -0.13 0.28 0.00 2.41 -0.67 0.00 0.00 178.83 180.72 2wd8 n THR 26 N -4.00 0.72 0.00 -0.54 -1.04 -0.41 -4.90 114.28 104.11 2wd8 n THR 26 Ca -0.02 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 2wd8 n THR 26 Cb 0.35 -0.90 0.00 0.00 -1.82 0.00 0.00 70.33 67.96 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 0.60 1.23 3.80 3.41 0.00 -0.64 -5.08 105.19 108.50 2wd8 n GLY 27 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 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 3.66 0.36 1.61 1.51 -0.44 -4.39 117.35 117.65 2wd8 s TYR 28 Ca 0.00 1.59 -0.23 0.00 -1.01 0.00 0.00 57.07 57.42 2wd8 s TYR 28 Cb 0.00 -2.77 -0.10 0.00 -0.11 0.00 0.00 41.96 38.98 2wd8 s TYR 28 CO 0.00 0.26 0.91 1.03 -1.11 0.00 0.00 175.55 176.64 2wd8 s ARG 29 N -2.05 4.37 -0.05 -0.62 0.52 0.27 -4.11 118.95 117.27 2wd8 s ARG 29 Ca 0.47 1.15 0.02 0.00 -0.52 0.00 0.00 55.73 56.85 2wd8 s ARG 29 Cb -0.17 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.77 2wd8 s ARG 29 CO 0.22 0.16 -0.10 0.08 0.02 0.00 0.00 175.30 175.68 2wd8 s VAL 30 N -1.86 0.94 -0.25 3.52 1.01 0.07 -0.36 120.40 123.46 2wd8 s VAL 30 Ca 0.54 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.96 2wd8 s VAL 30 Cb -0.14 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.35 2wd8 s VAL 30 CO 0.19 0.30 0.47 -0.69 0.00 0.00 0.00 175.10 175.37 2wd8 s VAL 31 N 0.52 5.11 -0.63 2.92 1.01 0.15 -2.05 120.40 127.43 2wd8 s VAL 31 Ca -0.10 0.80 -0.18 0.00 0.00 0.00 0.00 61.98 62.50 2wd8 s VAL 31 Cb -0.13 -3.79 0.12 0.00 0.00 0.00 0.00 36.38 32.57 2wd8 s VAL 31 CO 0.02 0.12 0.73 -0.63 0.00 0.00 0.00 175.10 175.34 2wd8 s ILE 32 N 2.12 4.89 0.32 2.22 1.01 0.11 -1.68 121.20 130.19 2wd8 s ILE 32 Ca 0.20 -1.17 -0.26 0.00 0.00 0.00 0.00 60.65 59.42 2wd8 s ILE 32 Cb -0.16 -4.50 -0.10 0.00 0.01 0.00 0.00 42.46 37.71 2wd8 s ILE 32 CO 0.09 -1.14 0.94 -2.28 0.00 0.00 0.00 174.94 172.56 2wd8 s HIS 33 N 2.45 3.69 0.19 3.97 5.65 -0.51 -1.32 115.29 129.42 2wd8 s HIS 33 Ca 0.13 1.77 -0.11 0.00 0.25 0.00 0.00 55.06 57.10 2wd8 s HIS 33 Cb -0.22 -2.92 -0.00 0.00 -1.18 0.00 0.00 32.58 28.26 2wd8 s HIS 33 CO 0.04 0.21 0.37 1.52 -0.65 0.00 0.00 174.74 176.24 2wd8 s TYR 34 N -1.61 0.31 0.01 3.88 -0.85 -0.99 -0.44 117.35 117.66 2wd8 s TYR 34 Ca 0.50 -0.66 -0.02 0.00 -0.52 0.00 0.00 57.07 56.37 2wd8 s TYR 34 Cb -0.19 0.08 -0.01 0.00 0.38 0.00 0.00 41.96 42.23 2wd8 s TYR 34 CO 0.24 -0.82 -0.04 1.58 -1.52 0.00 0.00 175.55 174.98 2wd8 n HIS 35 N -0.28 0.00 0.14 -3.49 -0.00 -1.26 -1.36 115.22 108.96 2wd8 n HIS 35 Ca -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.68 2wd8 n HIS 35 Cb 0.63 -0.06 -0.03 0.00 -0.00 0.00 0.00 29.99 30.53 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 -3.07 1.60 -3.12 0.26 3.02 -1.26 -4.76 115.26 107.92 2wd8 n ASN 36 Ca -0.02 -0.38 -0.36 0.00 -0.03 0.00 0.00 54.58 53.79 2wd8 n ASN 36 Cb 0.06 1.08 -0.01 0.00 -0.61 0.00 0.00 39.78 40.30 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 -1.32 7.39 -0.20 6.41 7.64 -1.26 -4.75 113.62 127.53 2wd8 n SER 37 Ca 0.00 -3.30 -0.02 0.00 1.01 0.00 0.00 58.87 56.55 2wd8 n SER 37 Cb 0.09 -1.26 0.08 0.00 -1.01 0.00 0.00 64.21 62.11 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 3.87 0.76 -0.27 -0.43 0.00 -1.97 -0.50 119.26 120.72 2wd8 h ALA 38 Ca 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.50 2wd8 h ALA 38 Cb 0.42 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2wd8 h ALA 38 CO 1.23 -0.06 0.13 1.49 0.00 0.00 0.00 179.25 182.03 2wd8 h GLU 39 N 0.54 0.40 -0.51 0.00 4.81 -1.99 -0.48 114.58 117.34 2wd8 h GLU 39 Ca 0.27 -0.06 -0.10 0.00 -0.13 0.00 0.00 59.36 59.34 2wd8 h GLU 39 Cb 0.20 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2wd8 h GLU 39 CO -0.20 0.40 -0.06 0.00 -0.73 0.00 0.00 179.01 178.42 2wd8 h ALA 40 N 0.98 0.92 -0.38 2.92 0.00 -1.85 -0.52 119.26 121.33 2wd8 h ALA 40 Ca 0.09 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2wd8 h ALA 40 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2wd8 h ALA 40 CO -0.01 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.95 2wd8 h ALA 41 N 1.09 0.50 0.13 0.00 0.00 -0.87 -1.42 119.26 118.69 2wd8 h ALA 41 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2wd8 h ALA 41 Cb 0.58 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wd8 h ALA 41 CO 0.04 0.20 -0.06 0.28 0.00 0.00 0.00 179.25 179.70 2wd8 h VAL 42 N 0.47 0.98 -0.06 0.00 2.07 -1.03 -1.23 116.25 117.45 2wd8 h VAL 42 Ca 0.12 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2wd8 h VAL 42 Cb 0.34 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2wd8 h VAL 42 CO 0.00 0.11 -0.19 0.77 0.02 0.00 0.00 177.57 178.29 2wd8 h SER 43 N -0.39 0.09 -0.18 0.57 4.64 -1.11 0.06 113.55 117.23 2wd8 h SER 43 Ca -0.02 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.28 2wd8 h SER 43 Cb 0.32 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2wd8 h SER 43 CO 0.03 0.29 0.10 0.25 -0.87 0.00 0.00 176.83 176.63 2wd8 h LEU 44 N 0.09 0.22 -0.67 5.97 5.85 -1.16 -2.30 115.31 123.31 2wd8 h LEU 44 Ca 0.02 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.71 2wd8 h LEU 44 Cb 0.39 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.32 2wd8 h LEU 44 CO 0.03 0.22 0.41 0.00 -0.34 0.00 0.00 178.44 178.76 2wd8 h ALA 45 N 1.01 0.88 0.00 1.25 0.00 -0.16 -2.00 119.26 120.24 2wd8 h ALA 45 Ca 0.06 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wd8 h ALA 45 Cb 0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2wd8 h ALA 45 CO -0.01 0.16 -0.00 -0.44 0.00 0.00 0.00 179.25 178.96 2wd8 h ASP 46 N 0.80 -0.00 -0.53 0.00 3.32 -1.02 0.63 116.42 119.61 2wd8 h ASP 46 Ca 0.28 -0.06 0.07 0.00 0.02 0.00 0.00 57.03 57.33 2wd8 h ASP 46 Cb 0.05 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 2wd8 h ASP 46 CO -0.12 0.06 0.22 -0.08 -1.72 0.00 0.00 179.24 177.59 2wd8 h GLU 47 N -0.06 0.41 -0.44 3.56 4.81 -1.25 -0.86 114.58 120.74 2wd8 h GLU 47 Ca -0.00 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.09 2wd8 h GLU 47 Cb 0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2wd8 h GLU 47 CO 0.00 0.27 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.28 2wd8 h LEU 48 N 0.42 0.89 -1.24 1.64 3.38 -1.21 -2.76 115.31 116.42 2wd8 h LEU 48 Ca 0.25 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wd8 h LEU 48 Cb 0.24 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2wd8 h LEU 48 CO -0.23 1.06 -0.07 0.78 0.09 0.00 0.00 178.44 180.07 2wd8 h ASN 49 N 0.76 0.00 -0.04 -0.43 2.35 -0.48 -1.60 115.58 116.14 2wd8 h ASN 49 Ca 0.11 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.67 2wd8 h ASN 49 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2wd8 h ASN 49 CO 0.06 0.07 -0.66 0.11 -1.65 0.00 0.00 177.43 175.36 2wd8 h LYS 50 N 0.00 0.66 0.37 0.81 1.57 -0.92 -2.88 116.57 116.18 2wd8 h LYS 50 Ca -0.00 -0.48 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 2wd8 h LYS 50 Cb 0.62 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2wd8 h LYS 50 CO 0.01 1.10 -0.18 1.49 -0.57 0.00 0.00 179.45 181.30 2wd8 h GLU 51 N 0.48 -0.48 -3.31 3.15 4.57 -1.18 -3.43 114.58 114.38 2wd8 h GLU 51 Ca -0.02 0.03 -0.37 0.00 -1.18 0.00 0.00 59.36 57.82 2wd8 h GLU 51 Cb 1.25 0.11 -0.39 0.00 -0.16 0.00 0.00 28.75 29.56 2wd8 h GLU 51 CO 0.13 -0.20 -0.74 1.03 -1.18 0.00 0.00 179.01 178.04 2wd8 s ARG 52 N -5.23 -0.07 0.31 1.92 0.52 -0.64 -5.12 118.95 110.64 2wd8 s ARG 52 Ca -0.15 0.37 -0.29 0.00 -0.52 0.00 0.00 55.73 55.14 2wd8 s ARG 52 Cb 0.03 -0.53 -0.11 0.00 0.52 0.00 0.00 34.95 34.86 2wd8 s ARG 52 CO 0.58 -0.33 1.56 -1.12 0.02 0.00 0.00 175.30 176.01 2wd8 s SER 53 N 2.17 6.37 -1.37 0.23 0.01 -1.09 -3.25 113.70 116.77 2wd8 s SER 53 Ca 0.05 2.97 -0.07 0.00 1.31 0.00 0.00 55.95 60.21 2wd8 s SER 53 Cb -0.12 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.49 2wd8 s SER 53 CO -0.03 -0.90 1.03 0.59 0.41 0.00 0.00 173.24 174.34 2wd8 n ASN 54 N 1.73 -4.44 -0.12 2.44 3.02 -1.26 -4.92 115.26 111.71 2wd8 n ASN 54 Ca 0.06 -0.65 0.03 0.00 -0.03 0.00 0.00 54.58 53.99 2wd8 n ASN 54 Cb 0.38 -4.63 -0.01 0.00 -0.61 0.00 0.00 39.78 34.91 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 -4.66 0.00 -4.03 3.41 -2.24 -1.20 -5.03 114.28 100.53 2wd8 n THR 55 Ca -0.08 -0.40 -0.16 0.00 -2.27 0.00 0.00 64.05 61.14 2wd8 n THR 55 Cb 0.59 1.06 -0.15 0.00 -2.10 0.00 0.00 70.33 69.73 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 -1.25 0.33 0.13 6.98 0.00 -1.26 -0.75 121.76 125.94 2wd8 s ALA 56 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2wd8 s ALA 56 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 2wd8 s ALA 56 CO 0.21 0.02 -0.09 0.14 0.00 0.00 0.00 175.76 176.03 2wd8 s VAL 57 N 0.37 1.03 0.17 0.00 -7.23 -0.87 -4.91 120.40 108.97 2wd8 s VAL 57 Ca -0.04 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.19 2wd8 s VAL 57 Cb -0.07 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 2wd8 s VAL 57 CO -0.01 -0.77 0.10 0.68 -0.31 0.00 0.00 175.10 174.80 2wd8 s VAL 58 N -3.35 4.27 -0.17 1.32 -7.23 -1.26 0.08 120.40 114.06 2wd8 s VAL 58 Ca 0.15 -1.21 -0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2wd8 s VAL 58 Cb 0.03 -3.18 0.08 0.00 0.56 0.00 0.00 36.38 33.87 2wd8 s VAL 58 CO -0.01 -0.13 0.22 0.00 -0.31 0.00 0.00 175.10 174.88 2wd8 s GLN 60 N 2.35 4.71 -0.29 0.00 -0.44 -1.26 -2.33 119.66 122.39 2wd8 s GLN 60 Ca 0.05 1.36 -0.19 0.00 -2.50 0.00 0.00 55.36 54.08 2wd8 s GLN 60 Cb -0.14 -3.32 0.13 0.00 -1.64 0.00 0.00 33.01 28.04 2wd8 s GLN 60 CO -0.10 0.41 0.94 0.00 0.50 0.00 0.00 175.29 177.03 2wd8 s ALA 61 N -0.68 -2.11 -0.00 1.58 0.00 -0.47 -4.95 121.76 115.12 2wd8 s ALA 61 Ca 0.41 2.15 -0.30 0.00 0.00 0.00 0.00 51.96 54.22 2wd8 s ALA 61 Cb -0.24 -1.57 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 2wd8 s ALA 61 CO 0.29 -0.32 1.10 0.34 0.00 0.00 0.00 175.76 177.17 2wd8 s ASP 62 N 1.05 7.19 -0.05 0.00 -1.08 -1.26 -4.31 116.67 118.21 2wd8 s ASP 62 Ca -0.06 1.80 0.20 0.00 -0.52 0.00 0.00 52.55 53.97 2wd8 s ASP 62 Cb -0.04 -2.57 0.67 0.00 -1.46 0.00 0.00 42.92 39.52 2wd8 s ASP 62 CO -0.13 -0.42 1.57 0.18 0.52 0.00 0.00 175.17 176.89 2wd8 n LEU 63 N 4.30 4.25 -4.77 -1.34 4.77 -1.26 -4.94 117.00 118.01 2wd8 n LEU 63 Ca 0.08 -2.14 -0.41 0.00 -0.03 0.00 0.00 56.01 53.52 2wd8 n LEU 63 Cb 0.48 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 2wd8 n LEU 63 CO 0.54 0.88 1.08 -0.89 -1.33 0.00 0.00 177.39 177.66 2wd8 s THR 64 N -1.43 2.25 0.12 -5.08 2.01 -1.26 -2.47 115.64 109.78 2wd8 s THR 64 Ca 0.49 0.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.42 2wd8 s THR 64 Cb 0.29 -3.15 -0.11 0.00 0.01 0.00 0.00 72.50 69.54 2wd8 s THR 64 CO 0.29 0.05 1.85 -3.20 -0.69 0.00 0.00 174.62 172.92 2wd8 n ASN 65 N 0.38 4.09 -2.54 3.53 4.05 -0.48 -4.65 115.26 119.65 2wd8 n ASN 65 Ca 0.02 0.98 -0.06 0.00 0.45 0.00 0.00 54.58 55.97 2wd8 n ASN 65 Cb 0.41 -1.55 0.02 0.00 1.23 0.00 0.00 39.78 39.89 2wd8 n ASN 65 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 2wd8 n SER 66 N 5.78 -1.76 0.29 1.20 3.41 -1.26 -4.84 113.62 116.44 2wd8 n SER 66 Ca 0.18 -2.16 0.18 0.00 -0.26 0.00 0.00 58.87 56.81 2wd8 n SER 66 Cb 0.38 2.92 0.86 0.00 -0.26 0.00 0.00 64.21 68.10 2wd8 n SER 66 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2wd8 h ASN 67 N 1.60 0.00 0.05 4.04 -1.07 -2.06 -2.96 115.58 115.19 2wd8 h ASN 67 Ca -0.26 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.11 2wd8 h ASN 67 Cb 1.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.25 2wd8 h ASN 67 CO 0.33 0.03 -0.39 1.33 0.07 0.00 0.00 177.43 178.81 2wd8 n VAL 68 N -3.21 0.00 -0.21 6.14 0.24 -1.26 -4.52 118.33 115.50 2wd8 n VAL 68 Ca -0.01 -0.23 -0.04 0.00 -2.04 0.00 0.00 64.34 62.02 2wd8 n VAL 68 Cb 0.22 1.02 0.06 0.00 -1.47 0.00 0.00 33.84 33.68 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 2.19 0.58 -0.73 1.34 5.85 -1.78 -0.93 115.31 121.84 2wd8 h LEU 69 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.83 2wd8 h LEU 69 Cb 0.69 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 2wd8 h LEU 69 CO 0.00 0.40 0.36 -0.65 -0.34 0.00 0.00 178.44 178.21 2wd8 h PRO 70 N 0.71 0.58 -0.37 5.25 0.11 -1.79 -0.21 132.00 136.28 2wd8 h PRO 70 Ca 0.25 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.29 2wd8 h PRO 70 Cb 0.06 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2wd8 h PRO 70 CO -0.12 0.38 0.09 0.00 -0.21 0.00 0.00 178.00 178.14 2wd8 h ALA 71 N 1.45 0.49 -0.78 -0.75 0.00 -1.74 -0.47 119.26 117.45 2wd8 h ALA 71 Ca 0.36 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.15 2wd8 h ALA 71 Cb 0.41 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 2wd8 h ALA 71 CO -0.28 0.16 0.47 0.77 0.00 0.00 0.00 179.25 180.37 2wd8 h SER 72 N 0.45 0.74 0.08 0.00 0.02 -0.65 0.37 113.55 114.55 2wd8 h SER 72 Ca 0.12 0.02 -0.19 0.00 -0.84 0.00 0.00 61.79 60.89 2wd8 h SER 72 Cb 0.30 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 62.71 2wd8 h SER 72 CO 0.00 0.48 -0.70 0.00 -1.14 0.00 0.00 176.83 175.47 2wd8 h GLU 74 N 0.39 0.67 -0.03 0.00 4.81 -0.70 -2.81 114.58 116.91 2wd8 h GLU 74 Ca -0.03 -0.08 -0.20 0.00 -0.13 0.00 0.00 59.36 58.93 2wd8 h GLU 74 Cb 1.29 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.53 2wd8 h GLU 74 CO 0.13 0.52 -0.83 1.49 -0.73 0.00 0.00 179.01 179.60 2wd8 h GLU 75 N 0.67 0.31 -0.44 1.92 4.57 -0.68 -1.18 114.58 119.75 2wd8 h GLU 75 Ca 0.17 -0.30 -0.01 0.00 -1.18 0.00 0.00 59.36 58.03 2wd8 h GLU 75 Cb 0.08 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 2wd8 h GLU 75 CO -0.02 0.98 0.23 0.82 -1.18 0.00 0.00 179.01 179.83 2wd8 h ILE 76 N 0.19 1.17 -0.21 2.32 2.04 -1.17 -0.39 117.51 121.46 2wd8 h ILE 76 Ca -0.05 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.30 2wd8 h ILE 76 Cb 1.43 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 2wd8 h ILE 76 CO 0.14 0.18 -0.06 0.40 0.00 0.00 0.00 178.15 178.81 2wd8 h ILE 77 N 0.57 1.29 -0.97 -0.67 1.08 -1.46 -2.95 117.51 114.40 2wd8 h ILE 77 Ca 0.15 -1.05 0.13 0.00 -0.39 0.00 0.00 64.86 63.70 2wd8 h ILE 77 Cb 0.09 1.55 -0.09 0.00 -3.07 0.00 0.00 36.82 35.30 2wd8 h ILE 77 CO -0.02 0.32 0.60 0.78 -0.69 0.00 0.00 178.15 179.14 2wd8 h ASN 78 N 0.13 0.86 -0.94 1.72 2.35 -1.09 -2.40 115.58 116.22 2wd8 h ASN 78 Ca 0.05 0.06 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 2wd8 h ASN 78 Cb 0.51 -0.11 -0.06 0.00 0.05 0.00 0.00 38.32 38.71 2wd8 h ASN 78 CO 0.02 0.44 0.61 0.28 -1.65 0.00 0.00 177.43 177.13 2wd8 h SER 79 N 0.92 1.01 -0.77 5.81 0.02 -0.89 -0.71 113.55 118.94 2wd8 h SER 79 Ca 0.49 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.41 2wd8 h SER 79 Cb 0.53 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 2wd8 h SER 79 CO -0.28 0.69 0.38 0.00 -1.14 0.00 0.00 176.83 176.48 2wd8 h PHE 81 N 1.09 0.43 0.12 0.00 -1.00 -1.15 -0.83 116.94 115.60 2wd8 h PHE 81 Ca 0.27 -0.10 -0.27 0.00 2.81 0.00 0.00 57.97 60.68 2wd8 h PHE 81 Cb 0.11 -0.10 0.03 0.00 3.61 0.00 0.00 35.95 39.59 2wd8 h PHE 81 CO 0.01 0.65 -1.13 0.00 -1.61 0.00 0.00 178.31 176.23 2wd8 h ARG 82 N 0.33 0.56 -0.14 1.51 3.08 -0.88 0.29 114.38 119.14 2wd8 h ARG 82 Ca 0.04 -0.76 -0.00 0.00 0.07 0.00 0.00 59.98 59.33 2wd8 h ARG 82 Cb 0.71 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 2wd8 h ARG 82 CO 0.05 1.34 0.07 0.00 -1.07 0.00 0.00 179.97 180.36 2wd8 h ALA 83 N 0.26 0.18 0.00 0.04 0.00 -0.88 -3.40 119.26 115.45 2wd8 h ALA 83 Ca -0.17 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wd8 h ALA 83 Cb 1.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2wd8 h ALA 83 CO 0.22 -0.27 0.00 1.19 0.00 0.00 0.00 179.25 180.39 2wd8 n PHE 84 N -4.93 0.00 -1.00 0.00 0.99 -0.32 -5.03 117.46 107.18 2wd8 n PHE 84 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2wd8 n PHE 84 Cb 0.08 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.56 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 0.57 0.46 3.61 1.37 0.00 0.09 -4.96 105.19 106.32 2wd8 n GLY 85 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.19 0.81 -0.27 1.61 1.70 -1.26 -4.98 118.95 116.37 2wd8 s ARG 86 Ca 0.00 -0.37 -0.01 0.00 -0.47 0.00 0.00 55.73 54.88 2wd8 s ARG 86 Cb 0.00 0.32 0.14 0.00 -0.57 0.00 0.00 34.95 34.84 2wd8 s ARG 86 CO 0.00 -0.36 0.35 0.00 -1.08 0.00 0.00 175.30 174.20 2wd8 n ASP 88 N 5.34 0.10 -3.88 0.00 9.92 0.12 -4.95 116.55 123.19 2wd8 n ASP 88 Ca -0.02 0.04 -0.16 0.00 -0.53 0.00 0.00 54.79 54.12 2wd8 n ASP 88 Cb 0.49 1.43 -0.15 0.00 -0.64 0.00 0.00 41.12 42.24 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 -3.09 0.26 -0.16 2.53 1.01 -0.83 -2.00 120.40 118.12 2wd8 s VAL 89 Ca -0.08 -0.04 0.02 0.00 0.00 0.00 0.00 61.98 61.87 2wd8 s VAL 89 Cb 0.10 -0.29 0.02 0.00 0.00 0.00 0.00 36.38 36.21 2wd8 s VAL 89 CO 0.87 0.12 -0.21 -0.22 0.00 0.00 0.00 175.10 175.66 2wd8 s LEU 90 N 0.51 2.13 -0.30 3.92 2.96 -0.88 -0.86 118.68 126.15 2wd8 s LEU 90 Ca -0.05 -0.63 -0.05 0.00 -0.22 0.00 0.00 54.13 53.18 2wd8 s LEU 90 Cb -0.08 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.17 2wd8 s LEU 90 CO -0.01 0.04 0.06 -0.69 -1.32 0.00 0.00 176.35 174.43 2wd8 s VAL 91 N 1.08 3.64 -0.77 1.68 1.01 -0.06 -0.53 120.40 126.45 2wd8 s VAL 91 Ca -0.00 -0.97 -0.22 0.00 0.00 0.00 0.00 61.98 60.79 2wd8 s VAL 91 Cb -0.14 -2.96 0.08 0.00 0.00 0.00 0.00 36.38 33.36 2wd8 s VAL 91 CO -0.08 -0.01 1.10 0.20 0.00 0.00 0.00 175.10 176.30 2wd8 s ASN 92 N 1.41 6.31 -0.06 3.32 0.01 0.30 -2.24 114.94 123.99 2wd8 s ASN 92 Ca -0.00 -1.20 0.03 0.00 -0.71 0.00 0.00 52.86 50.98 2wd8 s ASN 92 Cb -0.18 -2.45 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 2wd8 s ASN 92 CO 0.01 -1.42 -0.02 -3.20 -1.51 0.00 0.00 177.10 170.96 2wd8 n ASN 93 N 7.81 3.65 -4.69 -1.22 5.15 -1.26 -1.43 115.26 123.28 2wd8 n ASN 93 Ca 0.07 -0.02 -0.41 0.00 -0.60 0.00 0.00 54.58 53.62 2wd8 n ASN 93 Cb 0.47 0.29 0.01 0.00 -0.53 0.00 0.00 39.78 40.02 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 -2.42 1.10 -3.66 5.20 0.00 -1.19 -4.88 120.51 114.67 2wd8 n ALA 94 Ca -0.10 0.28 -0.08 0.00 0.00 0.00 0.00 53.44 53.55 2wd8 n ALA 94 Cb 0.64 -2.23 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 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 -0.52 -0.79 0.12 0.00 0.15 -1.26 -4.59 113.70 106.80 2wd8 s SER 95 Ca 0.60 1.30 -0.11 0.00 0.70 0.00 0.00 55.95 58.44 2wd8 s SER 95 Cb -0.53 1.27 -0.06 0.00 -1.71 0.00 0.00 66.02 64.99 2wd8 s SER 95 CO 0.59 -0.22 0.46 0.00 1.20 0.00 0.00 173.24 175.26 2wd8 s ALA 96 N 1.72 3.67 -0.25 5.45 0.00 -1.26 -5.07 121.76 126.02 2wd8 s ALA 96 Ca -0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 2wd8 s ALA 96 Cb -0.07 -2.36 0.13 0.00 0.00 0.00 0.00 23.12 20.82 2wd8 s ALA 96 CO -0.17 0.53 0.48 0.12 0.00 0.00 0.00 175.76 176.72 2wd8 s PHE 97 N -1.47 -1.07 -0.01 0.00 2.19 -1.26 -4.85 117.98 111.52 2wd8 s PHE 97 Ca 0.36 1.47 -0.29 0.00 0.33 0.00 0.00 56.93 58.80 2wd8 s PHE 97 Cb -0.14 0.35 0.10 0.00 -1.31 0.00 0.00 43.02 42.02 2wd8 s PHE 97 CO 0.19 -0.68 0.99 1.52 1.83 0.00 0.00 175.22 179.07 2wd8 s TYR 98 N 2.69 -0.24 0.37 10.12 -0.85 -1.26 -5.17 117.35 123.01 2wd8 s TYR 98 Ca 0.07 0.09 -0.25 0.00 -0.52 0.00 0.00 57.07 56.46 2wd8 s TYR 98 Cb -0.14 0.56 -0.09 0.00 0.38 0.00 0.00 41.96 42.67 2wd8 s TYR 98 CO -0.17 -0.52 1.03 -1.25 -1.52 0.00 0.00 175.55 173.13 2wd8 s PRO 99 N -2.97 4.31 -0.50 -3.49 0.04 -1.26 -4.71 135.00 126.41 2wd8 s PRO 99 Ca 0.08 1.51 0.05 0.00 0.04 0.00 0.00 61.00 62.68 2wd8 s PRO 99 Cb -0.01 -2.67 0.19 0.00 0.04 0.00 0.00 34.50 32.05 2wd8 s PRO 99 CO -0.06 -0.01 0.44 0.25 0.04 0.00 0.00 177.00 177.67 2wd8 n THR 100 N 0.21 -0.11 -1.70 1.26 -2.24 0.12 -4.99 114.28 106.83 2wd8 n THR 100 Ca 0.04 -4.04 -0.41 0.00 -2.27 0.00 0.00 64.05 57.37 2wd8 n THR 100 Cb 0.49 -1.87 0.01 0.00 -2.10 0.00 0.00 70.33 66.86 2wd8 n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 2wd8 n PRO 101 N 2.22 1.87 0.15 -0.78 -0.02 -1.23 -4.40 135.00 132.81 2wd8 n PRO 101 Ca 0.26 0.67 0.03 0.00 -2.02 0.00 0.00 63.50 62.43 2wd8 n PRO 101 Cb 0.45 -2.37 0.14 0.00 -0.02 0.00 0.00 33.50 31.70 2wd8 n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wd8 h LEU 102 N 2.00 0.00 -4.87 2.45 3.38 -2.00 -3.51 115.31 112.75 2wd8 h LEU 102 Ca -0.48 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.11 2wd8 h LEU 102 Cb 1.30 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.64 2wd8 h LEU 102 CO 0.59 0.51 -1.04 1.33 0.09 0.00 0.00 178.44 179.93 2wd8 n VAL 103 N -3.38 1.56 -1.60 1.22 0.24 -1.26 -5.25 118.33 109.86 2wd8 n VAL 103 Ca 0.01 -3.48 -0.17 0.00 -2.04 0.00 0.00 64.34 58.67 2wd8 n VAL 103 Cb 0.66 0.32 0.12 0.00 -1.47 0.00 0.00 33.84 33.47 2wd8 n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wd8 n GLY 113 N -0.44 5.53 3.75 7.63 0.00 -1.26 -5.20 105.19 115.20 2wd8 n GLY 113 Ca 0.19 -1.86 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -3.47 4.43 0.75 1.61 1.02 -1.26 -5.03 119.74 117.80 2wd8 s LYS 114 Ca 0.51 2.04 -0.15 0.00 0.02 0.00 0.00 55.97 58.38 2wd8 s LYS 114 Cb 0.43 -3.16 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 2wd8 s LYS 114 CO 0.01 -0.14 1.06 0.25 -0.92 0.00 0.00 175.35 175.62 2wd8 n THR 115 N 1.87 2.76 -0.05 2.17 -2.24 -1.26 -4.81 114.28 112.73 2wd8 n THR 115 Ca 0.03 -0.33 0.02 0.00 -2.27 0.00 0.00 64.05 61.50 2wd8 n THR 115 Cb 0.43 -1.17 0.34 0.00 -2.10 0.00 0.00 70.33 67.84 2wd8 n THR 115 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2wd8 h VAL 116 N -0.39 1.15 0.00 2.28 3.04 -1.99 -1.12 116.25 119.23 2wd8 h VAL 116 Ca -0.47 -0.42 -0.07 0.00 -1.01 0.00 0.00 66.70 64.73 2wd8 h VAL 116 Cb 1.32 0.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.15 2wd8 h VAL 116 CO 0.47 0.18 -0.32 1.05 -1.01 0.00 0.00 177.57 177.94 2wd8 h GLU 117 N 0.64 0.00 -0.18 4.17 9.09 -1.99 -0.35 114.58 125.96 2wd8 h GLU 117 Ca 0.16 0.00 -0.19 0.00 0.05 0.00 0.00 59.36 59.39 2wd8 h GLU 117 Cb 0.06 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.16 2wd8 h GLU 117 CO -0.02 0.32 -0.64 1.15 0.05 0.00 0.00 179.01 179.87 2wd8 h THR 118 N 0.00 1.31 -0.66 -1.06 2.02 -1.61 -1.85 112.91 111.07 2wd8 h THR 118 Ca -0.00 -1.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.22 2wd8 h THR 118 Cb 0.68 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.92 2wd8 h THR 118 CO 0.04 0.59 0.15 1.56 0.37 0.00 0.00 175.52 178.24 2wd8 h GLN 119 N 0.48 1.04 0.39 6.66 4.20 -0.71 -0.31 115.11 126.86 2wd8 h GLN 119 Ca -0.01 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2wd8 h GLN 119 Cb 1.22 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2wd8 h GLN 119 CO 0.13 0.93 -0.19 0.28 -0.67 0.00 0.00 178.83 179.30 2wd8 h VAL 120 N 0.99 0.58 -0.74 -0.54 2.07 -1.11 -0.25 116.25 117.24 2wd8 h VAL 120 Ca 0.21 -0.44 0.17 0.00 0.82 0.00 0.00 66.70 67.45 2wd8 h VAL 120 Cb 0.36 0.78 -0.13 0.00 -1.52 0.00 0.00 31.29 30.78 2wd8 h VAL 120 CO 0.00 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.65 2wd8 h ALA 121 N -0.32 0.73 0.02 1.67 0.00 -1.15 0.24 119.26 120.47 2wd8 h ALA 121 Ca -0.05 0.24 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2wd8 h ALA 121 Cb 0.53 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2wd8 h ALA 121 CO 0.09 -0.42 -0.38 0.93 0.00 0.00 0.00 179.25 179.47 2wd8 h GLU 122 N 0.09 0.05 -0.12 0.00 5.08 -1.04 0.09 114.58 118.73 2wd8 h GLU 122 Ca 0.40 -0.09 -0.14 0.00 -1.00 0.00 0.00 59.36 58.53 2wd8 h GLU 122 Cb 0.69 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2wd8 h GLU 122 CO -0.67 1.04 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.79 2wd8 h LEU 123 N -0.88 0.36 0.11 1.33 3.38 -1.01 -2.61 115.31 116.00 2wd8 h LEU 123 Ca -0.09 -0.19 -0.36 0.00 0.09 0.00 0.00 57.88 57.33 2wd8 h LEU 123 Cb 1.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2wd8 h LEU 123 CO -0.01 0.82 -2.00 -0.38 0.09 0.00 0.00 178.44 176.97 2wd8 n ILE 124 N -3.94 1.76 0.29 1.22 2.08 0.07 -3.51 119.36 117.33 2wd8 n ILE 124 Ca -0.02 -0.63 -0.17 0.00 0.56 0.00 0.00 62.75 62.49 2wd8 n ILE 124 Cb 0.57 -1.73 -0.08 0.00 -0.75 0.00 0.00 39.64 37.64 2wd8 n ILE 124 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2wd8 h GLY 125 N 1.05 -0.93 1.71 7.39 0.00 -1.03 -0.30 103.07 110.96 2wd8 h GLY 125 Ca -0.43 0.41 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 2wd8 h GLY 125 CO 0.07 -0.33 -0.81 -0.91 0.00 0.00 0.00 176.54 174.56 2wd8 h THR 126 N -0.84 1.44 0.00 4.70 1.35 -1.13 1.49 112.91 119.92 2wd8 h THR 126 Ca -0.05 -2.39 -0.19 0.00 -0.55 0.00 0.00 66.41 63.23 2wd8 h THR 126 Cb 0.71 2.31 -0.03 0.00 -1.73 0.00 0.00 68.15 69.41 2wd8 h THR 126 CO 0.02 0.70 -1.00 0.78 -0.25 0.00 0.00 175.52 175.78 2wd8 h ASN 127 N 0.17 0.00 0.00 5.36 2.35 -1.60 -3.40 115.58 118.46 2wd8 h ASN 127 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2wd8 h ASN 127 Cb 1.41 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.78 2wd8 h ASN 127 CO 0.13 0.82 -0.42 0.00 -1.65 0.00 0.00 177.43 176.30 2wd8 n ALA 128 N -2.35 2.82 -0.01 -0.83 0.00 -0.24 -4.68 120.51 115.21 2wd8 n ALA 128 Ca -0.03 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.25 2wd8 n ALA 128 Cb 0.89 0.21 -0.10 0.00 0.00 0.00 0.00 19.45 20.45 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 1.42 -0.11 0.00 1.08 -0.27 -2.38 117.51 117.25 2wd8 h ILE 129 Ca 0.00 -1.94 0.01 0.00 -0.39 0.00 0.00 64.86 62.54 2wd8 h ILE 129 Cb 0.42 2.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.62 2wd8 h ILE 129 CO 0.00 0.57 0.02 0.00 -0.69 0.00 0.00 178.15 178.05 2wd8 h ALA 130 N 0.37 0.11 -0.94 1.87 0.00 0.18 -1.52 119.26 119.33 2wd8 h ALA 130 Ca -0.05 0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.08 2wd8 h ALA 130 Cb 1.19 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.89 2wd8 h ALA 130 CO 0.10 -0.44 0.52 -1.35 0.00 0.00 0.00 179.25 178.08 2wd8 h PRO 131 N 0.07 0.59 -0.39 0.00 0.11 -1.76 -0.47 132.00 130.13 2wd8 h PRO 131 Ca 0.05 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 2wd8 h PRO 131 Cb 0.04 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2wd8 h PRO 131 CO -0.07 0.39 0.18 0.35 -0.21 0.00 0.00 178.00 178.64 2wd8 h PHE 132 N 0.61 0.58 -0.32 0.65 3.57 -0.86 -1.63 116.94 119.53 2wd8 h PHE 132 Ca 0.56 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.87 2wd8 h PHE 132 Cb 0.96 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.51 2wd8 h PHE 132 CO -0.06 0.50 -0.44 -0.07 -2.23 0.00 0.00 178.31 176.01 2wd8 h LEU 133 N 0.49 0.89 -0.81 0.59 3.38 -0.87 -0.59 115.31 118.39 2wd8 h LEU 133 Ca 0.13 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2wd8 h LEU 133 Cb 0.15 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 2wd8 h LEU 133 CO -0.01 1.19 0.49 -0.07 0.09 0.00 0.00 178.44 180.13 2wd8 h LEU 134 N 0.66 0.97 -0.49 1.67 3.38 -1.11 -1.44 115.31 118.94 2wd8 h LEU 134 Ca 0.04 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 2wd8 h LEU 134 Cb 1.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2wd8 h LEU 134 CO 0.10 0.75 0.18 0.74 0.09 0.00 0.00 178.44 180.30 2wd8 h THR 135 N 1.11 1.22 0.40 0.22 2.02 -0.92 0.18 112.91 117.14 2wd8 h THR 135 Ca 0.29 -0.70 -0.01 0.00 0.77 0.00 0.00 66.41 66.76 2wd8 h THR 135 Cb -0.04 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2wd8 h THR 135 CO -0.05 0.26 -0.25 -0.03 0.37 0.00 0.00 175.52 175.82 2wd8 h MET 136 N 0.65 -0.60 -0.88 6.66 1.85 -0.98 -1.18 114.93 120.46 2wd8 h MET 136 Ca 0.16 0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.30 2wd8 h MET 136 Cb 0.23 0.14 -0.04 0.00 0.43 0.00 0.00 31.60 32.35 2wd8 h MET 136 CO -0.01 -0.40 0.56 0.77 -0.40 0.00 0.00 176.91 177.43 2wd8 h SER 137 N -0.62 1.02 -0.52 1.39 0.02 -1.18 -0.70 113.55 112.96 2wd8 h SER 137 Ca -0.04 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2wd8 h SER 137 Cb 0.51 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.77 2wd8 h SER 137 CO 0.05 0.76 0.34 0.15 -1.14 0.00 0.00 176.83 176.99 2wd8 h PHE 138 N 1.19 0.65 -0.16 3.45 3.57 -0.52 -2.50 116.94 122.62 2wd8 h PHE 138 Ca 0.32 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.69 2wd8 h PHE 138 Cb -0.10 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.42 2wd8 h PHE 138 CO -0.01 0.40 -0.46 0.00 -2.23 0.00 0.00 178.31 176.02 2wd8 h ALA 139 N 1.20 0.27 -0.13 2.41 0.00 -0.89 -3.12 119.26 119.01 2wd8 h ALA 139 Ca 0.19 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 2wd8 h ALA 139 Cb -0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2wd8 h ALA 139 CO -0.05 0.42 0.04 1.96 0.00 0.00 0.00 179.25 181.62 2wd8 h GLN 140 N 0.25 0.17 0.00 0.00 1.08 -1.12 -2.56 115.11 112.93 2wd8 h GLN 140 Ca -0.01 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2wd8 h GLN 140 Cb 1.08 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2wd8 h GLN 140 CO 0.10 0.16 0.00 0.54 -0.95 0.00 0.00 178.83 178.68 2wd8 n ARG 141 N -4.47 0.04 -0.94 1.46 5.12 -0.95 -5.10 116.66 111.82 2wd8 n ARG 141 Ca -0.01 0.07 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 2wd8 n ARG 141 Cb 0.12 -1.55 0.10 0.00 -1.16 0.00 0.00 32.46 29.97 2wd8 n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wd8 n GLN 142 N -1.61 -0.68 -0.70 5.56 1.13 -0.97 -5.05 117.38 115.06 2wd8 n GLN 142 Ca 0.06 -1.02 0.00 0.00 -1.94 0.00 0.00 57.00 54.10 2wd8 n GLN 142 Cb 0.32 -0.69 0.00 0.00 0.11 0.00 0.00 30.24 29.99 2wd8 n GLN 142 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2wd8 n ASN 153 N -3.44 -1.00 -4.71 1.08 5.15 -1.26 -5.17 115.26 105.91 2wd8 n ASN 153 Ca 0.08 -0.63 -0.40 0.00 -0.60 0.00 0.00 54.58 53.04 2wd8 n ASN 153 Cb 0.29 -0.18 -0.04 0.00 -0.53 0.00 0.00 39.78 39.31 2wd8 n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wd8 s LEU 154 N 0.00 4.29 0.17 1.20 1.43 -1.26 -4.83 118.68 119.69 2wd8 s LEU 154 Ca 0.00 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.20 2wd8 s LEU 154 Cb 0.00 -3.13 -0.00 0.00 0.03 0.00 0.00 46.19 43.09 2wd8 s LEU 154 CO 0.00 -0.18 0.34 -0.94 0.23 0.00 0.00 176.35 175.80 2wd8 s SER 155 N 0.89 -0.02 -0.03 2.29 1.04 -0.85 -1.69 113.70 115.33 2wd8 s SER 155 Ca 0.38 -0.81 0.05 0.00 0.48 0.00 0.00 55.95 56.06 2wd8 s SER 155 Cb -0.18 0.47 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 2wd8 s SER 155 CO 0.18 -0.94 -0.19 -0.63 0.98 0.00 0.00 173.24 172.64 2wd8 s ILE 156 N -3.96 1.53 -0.15 -1.02 1.01 0.69 -2.08 121.20 117.23 2wd8 s ILE 156 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2wd8 s ILE 156 Cb 0.02 -1.29 0.02 0.00 0.01 0.00 0.00 42.46 41.23 2wd8 s ILE 156 CO 0.00 0.43 -0.14 -0.69 0.00 0.00 0.00 174.94 174.55 2wd8 s VAL 157 N -0.21 1.53 -0.12 2.92 1.01 0.31 -0.89 120.40 124.96 2wd8 s VAL 157 Ca 0.01 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2wd8 s VAL 157 Cb -0.10 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 2wd8 s VAL 157 CO 0.01 0.44 0.15 0.20 0.00 0.00 0.00 175.10 175.91 2wd8 s ASN 158 N 1.50 6.41 -0.64 3.32 0.01 0.06 -0.54 114.94 125.05 2wd8 s ASN 158 Ca 0.05 0.49 -0.20 0.00 -0.71 0.00 0.00 52.86 52.48 2wd8 s ASN 158 Cb -0.13 -2.08 0.09 0.00 0.41 0.00 0.00 41.25 39.55 2wd8 s ASN 158 CO -0.10 0.40 0.83 -0.76 -1.51 0.00 0.00 177.10 175.96 2wd8 s LEU 159 N -0.98 4.99 0.00 0.60 2.01 -0.52 -1.43 118.68 123.35 2wd8 s LEU 159 Ca 0.15 -1.31 0.00 0.00 0.01 0.00 0.00 54.13 52.98 2wd8 s LEU 159 Cb -0.12 -2.35 0.00 0.00 0.01 0.00 0.00 46.19 43.73 2wd8 s LEU 159 CO 0.04 -1.24 0.00 0.00 1.01 0.00 0.00 176.35 176.17 2wd8 s ASP 161 N -1.00 1.86 0.53 0.00 -1.08 -1.26 -3.94 116.67 111.78 2wd8 s ASP 161 Ca 0.00 -0.20 0.29 0.00 -0.52 0.00 0.00 52.55 52.11 2wd8 s ASP 161 Cb 0.00 -0.66 1.46 0.00 -1.46 0.00 0.00 42.92 42.26 2wd8 s ASP 161 CO 0.00 -0.14 2.06 0.00 0.52 0.00 0.00 175.17 177.61 2wd8 h ALA 162 N 8.15 1.21 -0.49 3.66 0.00 -1.23 -2.59 119.26 127.97 2wd8 h ALA 162 Ca -0.26 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 2wd8 h ALA 162 Cb 1.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2wd8 h ALA 162 CO 0.35 0.14 0.08 -1.33 0.00 0.00 0.00 179.25 178.49 2wd8 n MET 163 N -3.53 3.62 0.26 0.00 2.81 -1.26 -4.57 117.12 114.46 2wd8 n MET 163 Ca -0.01 -2.36 0.11 0.00 -1.81 0.00 0.00 57.70 53.62 2wd8 n MET 163 Cb 0.25 -2.05 0.70 0.00 -0.71 0.00 0.00 33.22 31.41 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 2.64 0.77 -0.30 2.03 3.04 -1.85 -1.36 116.25 121.23 2wd8 h VAL 164 Ca 0.08 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.40 2wd8 h VAL 164 Cb 1.75 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 2wd8 h VAL 164 CO 0.45 0.09 0.00 0.47 -1.01 0.00 0.00 177.57 177.57 2wd8 n ASP 165 N -3.99 3.16 -3.42 3.17 8.00 -1.26 -4.45 116.55 117.76 2wd8 n ASP 165 Ca -0.02 -1.92 -0.26 0.00 0.71 0.00 0.00 54.79 53.29 2wd8 n ASP 165 Cb 0.18 -0.19 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 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 1.26 1.94 -2.24 -1.24 6.02 -0.51 -5.12 117.38 117.49 2wd8 n GLN 166 Ca 0.16 -4.26 -0.38 0.00 -0.01 0.00 0.00 57.00 52.51 2wd8 n GLN 166 Cb 0.54 -2.00 -0.01 0.00 1.02 0.00 0.00 30.24 29.79 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 -1.97 3.84 0.38 -1.09 0.04 -1.24 -4.92 135.00 130.04 2wd8 s PRO 167 Ca 0.37 1.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.99 2wd8 s PRO 167 Cb 0.13 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 32.07 2wd8 s PRO 167 CO -0.06 -0.50 1.13 0.00 0.04 0.00 0.00 177.00 177.61 2wd8 n MET 169 N 0.25 1.92 -1.21 0.00 1.56 -1.26 -2.84 117.12 115.54 2wd8 n MET 169 Ca 0.03 0.69 -0.07 0.00 -0.27 0.00 0.00 57.70 58.08 2wd8 n MET 169 Cb 0.47 -2.44 -0.03 0.00 2.15 0.00 0.00 33.22 33.37 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 3.35 -0.11 -1.74 -5.12 0.00 -1.26 -4.93 120.51 110.70 2wd8 n ALA 170 Ca 0.18 0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.58 2wd8 n ALA 170 Cb 0.27 -1.06 0.10 0.00 0.00 0.00 0.00 19.45 18.76 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 -2.75 1.93 0.02 0.00 3.01 -1.13 0.16 117.46 118.70 2wd8 n PHE 171 Ca -0.07 -2.05 -0.10 0.00 1.01 0.00 0.00 57.45 56.24 2wd8 n PHE 171 Cb 0.26 -0.48 -0.04 0.00 -0.01 0.00 0.00 39.48 39.21 2wd8 n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wd8 h SER 172 N 1.68 -0.70 -0.69 4.37 0.02 -1.82 0.33 113.55 116.73 2wd8 h SER 172 Ca 0.30 0.11 -0.07 0.00 -0.84 0.00 0.00 61.79 61.28 2wd8 h SER 172 Cb 1.38 0.31 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 2wd8 h SER 172 CO 0.63 -0.29 0.15 -0.07 -1.14 0.00 0.00 176.83 176.11 2wd8 h LEU 173 N -0.32 1.07 -0.37 5.07 3.38 -1.90 0.43 115.31 122.67 2wd8 h LEU 173 Ca 0.09 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2wd8 h LEU 173 Cb 0.44 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 2wd8 h LEU 173 CO -0.27 1.04 0.25 0.22 0.09 0.00 0.00 178.44 179.77 2wd8 h TYR 174 N 1.06 0.47 -0.50 1.13 3.20 -1.77 -1.93 116.97 118.63 2wd8 h TYR 174 Ca 0.22 0.01 -0.09 0.00 3.14 0.00 0.00 58.73 62.01 2wd8 h TYR 174 Cb 0.40 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 2wd8 h TYR 174 CO 0.03 0.30 -0.02 -0.97 -1.64 0.00 0.00 178.16 175.86 2wd8 h ASN 175 N 0.50 0.88 -0.89 -2.11 -0.73 0.22 -2.14 115.58 111.31 2wd8 h ASN 175 Ca 0.14 -0.32 0.10 0.00 1.87 0.00 0.00 56.30 58.08 2wd8 h ASN 175 Cb -0.05 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 38.22 2wd8 h ASN 175 CO -0.03 0.99 0.54 0.24 -0.37 0.00 0.00 177.43 178.79 2wd8 h MET 176 N 0.75 0.87 -0.51 6.67 2.86 -0.10 -0.83 114.93 124.65 2wd8 h MET 176 Ca 0.14 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.69 2wd8 h MET 176 Cb 0.55 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2wd8 h MET 176 CO 0.03 0.58 0.18 0.78 1.06 0.00 0.00 176.91 179.54 2wd8 h GLY 177 N 0.90 0.84 1.65 8.32 0.00 -0.96 -0.77 103.07 113.04 2wd8 h GLY 177 Ca 0.42 -0.48 -0.17 0.00 0.00 0.00 0.00 47.33 47.11 2wd8 h GLY 177 CO -0.24 0.45 -0.69 0.50 0.00 0.00 0.00 176.54 176.56 2wd8 h LYS 178 N 0.69 0.35 -0.54 4.80 1.79 -1.03 -1.54 116.57 121.09 2wd8 h LYS 178 Ca 0.17 -0.27 -0.09 0.00 -2.18 0.00 0.00 60.65 58.27 2wd8 h LYS 178 Cb 0.24 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 2wd8 h LYS 178 CO -0.01 0.91 -0.03 0.45 -1.08 0.00 0.00 179.45 179.69 2wd8 h HIS 179 N 0.24 1.07 -0.30 -1.35 3.86 -1.09 -2.79 115.15 114.81 2wd8 h HIS 179 Ca -0.02 -0.20 -0.02 0.00 -1.16 0.00 0.00 60.37 58.97 2wd8 h HIS 179 Cb 1.25 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.43 2wd8 h HIS 179 CO 0.04 0.99 0.11 0.00 0.86 0.00 0.00 177.93 179.92 2wd8 h ALA 180 N 0.94 1.65 -0.03 2.45 0.00 -0.90 -2.19 119.26 121.17 2wd8 h ALA 180 Ca 0.15 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2wd8 h ALA 180 Cb 0.58 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2wd8 h ALA 180 CO 0.03 0.28 -0.31 1.25 0.00 0.00 0.00 179.25 180.51 2wd8 h LEU 181 N 0.41 0.06 -0.40 0.00 5.85 -1.10 0.05 115.31 120.19 2wd8 h LEU 181 Ca 0.10 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 2wd8 h LEU 181 Cb 0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2wd8 h LEU 181 CO -0.01 0.37 0.04 0.58 -0.34 0.00 0.00 178.44 179.08 2wd8 h VAL 182 N 0.06 1.25 0.24 1.05 2.07 -1.14 0.58 116.25 120.35 2wd8 h VAL 182 Ca 0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.60 2wd8 h VAL 182 Cb 0.58 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2wd8 h VAL 182 CO 0.04 0.32 -0.25 1.23 0.02 0.00 0.00 177.57 178.93 2wd8 h GLY 183 N 0.51 -0.54 0.25 2.17 0.00 -1.03 -0.95 103.07 103.48 2wd8 h GLY 183 Ca 0.12 0.28 0.07 0.00 0.00 0.00 0.00 47.33 47.80 2wd8 h GLY 183 CO 0.01 -0.23 -0.15 -2.00 0.00 0.00 0.00 176.54 174.18 2wd8 h LEU 184 N -0.52 -0.51 -0.37 3.11 5.85 -0.98 0.26 115.31 122.14 2wd8 h LEU 184 Ca -0.00 0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.92 2wd8 h LEU 184 Cb 0.49 0.28 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 2wd8 h LEU 184 CO -0.06 -0.19 -0.18 0.74 -0.34 0.00 0.00 178.44 178.41 2wd8 h THR 185 N -0.11 0.45 -0.22 1.05 2.02 -0.57 0.12 112.91 115.64 2wd8 h THR 185 Ca 0.15 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.15 2wd8 h THR 185 Cb 0.35 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.21 2wd8 h THR 185 CO -0.36 0.00 -0.56 1.56 0.37 0.00 0.00 175.52 176.53 2wd8 h GLN 186 N -0.12 0.78 -0.68 6.66 4.20 -0.86 -2.23 115.11 122.85 2wd8 h GLN 186 Ca 0.19 -0.53 -0.06 0.00 0.06 0.00 0.00 58.65 58.30 2wd8 h GLN 186 Cb 0.40 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 2wd8 h GLN 186 CO -0.45 1.16 0.19 0.77 -0.67 0.00 0.00 178.83 179.83 2wd8 h SER 187 N 0.51 1.00 0.49 1.46 0.02 -0.26 -2.71 113.55 114.07 2wd8 h SER 187 Ca -0.01 -0.22 -0.22 0.00 -0.84 0.00 0.00 61.79 60.50 2wd8 h SER 187 Cb 1.17 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 63.45 2wd8 h SER 187 CO 0.12 0.96 -0.96 0.00 -1.14 0.00 0.00 176.83 175.82 2wd8 h ALA 188 N 1.08 0.39 -0.22 3.77 0.00 -0.81 -1.85 119.26 121.62 2wd8 h ALA 188 Ca 0.22 -0.74 0.05 0.00 0.00 0.00 0.00 54.91 54.43 2wd8 h ALA 188 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 2wd8 h ALA 188 CO -0.00 0.89 -0.11 0.00 0.00 0.00 0.00 179.25 180.02 2wd8 h ALA 189 N 0.82 0.07 -0.11 0.00 0.00 -1.35 0.29 119.26 118.98 2wd8 h ALA 189 Ca -0.07 0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2wd8 h ALA 189 Cb 1.60 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2wd8 h ALA 189 CO 0.16 -0.53 0.04 1.25 0.00 0.00 0.00 179.25 180.17 2wd8 h LEU 190 N -0.09 0.05 -0.40 0.00 5.85 -1.46 -2.60 115.31 116.66 2wd8 h LEU 190 Ca 0.12 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.68 2wd8 h LEU 190 Cb 0.27 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2wd8 h LEU 190 CO -0.28 0.05 -0.80 -0.08 -0.34 0.00 0.00 178.44 176.98 2wd8 h GLU 191 N 0.10 0.06 0.00 1.25 4.81 -0.96 -3.28 114.58 116.56 2wd8 h GLU 191 Ca 0.05 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2wd8 h GLU 191 Cb 0.02 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2wd8 h GLU 191 CO -0.05 0.83 -0.72 1.28 -0.73 0.00 0.00 179.01 179.63 2wd8 n LEU 192 N -3.63 0.72 -0.35 1.64 4.77 0.98 -4.30 117.00 116.83 2wd8 n LEU 192 Ca -0.02 -0.22 0.10 0.00 -0.03 0.00 0.00 56.01 55.84 2wd8 n LEU 192 Cb 0.77 -0.14 0.27 0.00 -2.33 0.00 0.00 43.42 41.98 2wd8 n LEU 192 CO 0.45 0.18 1.19 0.00 -1.33 0.00 0.00 177.39 177.88 2wd8 h ALA 193 N 3.00 1.54 0.00 -1.18 0.00 -1.52 0.44 119.26 121.53 2wd8 h ALA 193 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wd8 h ALA 193 Cb 0.50 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wd8 h ALA 193 CO 0.00 0.05 0.00 -2.30 0.00 0.00 0.00 179.25 177.00 2wd8 n PRO 194 N -4.73 0.01 -0.05 0.00 -0.02 -1.26 -0.80 135.00 128.15 2wd8 n PRO 194 Ca 0.20 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 62.13 2wd8 n PRO 194 Cb 0.46 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.54 2wd8 n PRO 194 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2wd8 n TYR 195 N -1.48 0.13 -1.72 6.00 4.02 0.12 -4.97 117.16 119.27 2wd8 n TYR 195 Ca 0.02 -0.09 -0.12 0.00 -0.01 0.00 0.00 57.90 57.70 2wd8 n TYR 195 Cb 0.09 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.37 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 1.00 0.72 3.51 2.72 0.00 0.02 -4.99 105.19 108.17 2wd8 n GLY 196 Ca 0.12 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.52 4.98 0.33 -0.61 1.01 -1.09 -4.24 121.20 119.07 2wd8 s ILE 197 Ca 0.00 -0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.39 2wd8 s ILE 197 Cb 0.00 -4.08 -0.10 0.00 0.01 0.00 0.00 42.46 38.29 2wd8 s ILE 197 CO 0.00 -0.44 0.85 -0.13 0.00 0.00 0.00 174.94 175.22 2wd8 s ARG 198 N 2.43 4.28 -0.08 2.79 0.52 -0.68 -3.85 118.95 124.36 2wd8 s ARG 198 Ca 0.17 1.02 -0.02 0.00 -0.52 0.00 0.00 55.73 56.38 2wd8 s ARG 198 Cb -0.16 -2.56 0.04 0.00 0.52 0.00 0.00 34.95 32.79 2wd8 s ARG 198 CO 0.15 0.19 0.05 0.08 0.02 0.00 0.00 175.30 175.79 2wd8 s VAL 199 N -1.84 0.08 0.30 3.52 1.01 -1.26 -0.22 120.40 121.99 2wd8 s VAL 199 Ca 0.53 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.71 2wd8 s VAL 199 Cb -0.14 -0.39 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2wd8 s VAL 199 CO 0.19 0.10 0.14 0.20 0.00 0.00 0.00 175.10 175.73 2wd8 s ASN 200 N 2.09 1.57 0.08 3.32 0.01 -0.07 -0.44 114.94 121.49 2wd8 s ASN 200 Ca 0.04 -1.52 0.05 0.00 -0.71 0.00 0.00 52.86 50.71 2wd8 s ASN 200 Cb -0.13 0.33 -0.03 0.00 0.41 0.00 0.00 41.25 41.83 2wd8 s ASN 200 CO -0.05 -0.85 -0.13 -0.83 -1.51 0.00 0.00 177.10 173.73 2wd8 s GLY 201 N -3.38 0.85 -0.12 0.66 0.00 0.32 -0.76 107.32 104.88 2wd8 s GLY 201 Ca 0.35 -1.04 0.03 0.00 0.00 0.00 0.00 44.72 44.06 2wd8 s GLY 201 CO 0.16 -1.08 -0.23 0.14 0.00 0.00 0.00 173.10 172.10 2wd8 s VAL 202 N -1.57 2.05 -0.34 1.40 1.01 -0.52 -0.73 120.40 121.71 2wd8 s VAL 202 Ca -0.00 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2wd8 s VAL 202 Cb -0.08 -1.80 0.09 0.00 0.00 0.00 0.00 36.38 34.59 2wd8 s VAL 202 CO 0.02 0.55 0.06 0.00 0.00 0.00 0.00 175.10 175.73 2wd8 s ALA 203 N 0.64 2.90 0.65 5.51 0.00 0.14 -0.80 121.76 130.80 2wd8 s ALA 203 Ca -0.12 -2.41 -0.14 0.00 0.00 0.00 0.00 51.96 49.29 2wd8 s ALA 203 Cb -0.16 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 2wd8 s ALA 203 CO 0.02 -1.63 1.07 -2.14 0.00 0.00 0.00 175.76 173.08 2wd8 s PRO 204 N 0.98 2.98 0.00 0.00 0.02 -1.25 -0.41 135.00 137.33 2wd8 s PRO 204 Ca 0.07 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.28 2wd8 s PRO 204 Cb -0.20 -1.99 0.00 0.00 0.02 0.00 0.00 34.50 32.33 2wd8 s PRO 204 CO -0.07 -1.08 0.00 0.41 -0.33 0.00 0.00 177.00 175.94 2wd8 n GLY 205 N -1.14 0.11 3.39 0.52 0.00 -1.20 -1.02 105.19 105.86 2wd8 n GLY 205 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.77 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 3.47 0.00 1.61 1.01 -1.26 -4.88 120.40 120.36 2wd8 s VAL 206 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.49 2wd8 s VAL 206 Cb 0.00 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.85 2wd8 s VAL 206 CO 0.00 0.47 0.00 -0.24 0.00 0.00 0.00 175.10 175.33 2wd8 n SER 207 N 4.00 1.17 -2.79 3.32 2.88 -1.26 -0.87 113.62 120.08 2wd8 n SER 207 Ca -0.18 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 56.97 2wd8 n SER 207 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.51 -4.85 2.46 4.77 -1.15 -4.65 117.00 114.09 2wd8 n LEU 208 Ca 0.00 0.46 -0.32 0.00 -0.03 0.00 0.00 56.01 56.12 2wd8 n LEU 208 Cb 0.00 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 2wd8 n LEU 208 CO 0.00 -0.50 0.56 -0.76 -1.33 0.00 0.00 177.39 175.36 2wd8 s LEU 209 N 3.79 3.84 -0.04 2.23 1.43 -1.26 -4.96 118.68 123.70 2wd8 s LEU 209 Ca 0.78 1.43 -0.38 0.00 -1.03 0.00 0.00 54.13 54.93 2wd8 s LEU 209 Cb -0.98 -4.31 -0.17 0.00 0.03 0.00 0.00 46.19 40.77 2wd8 s LEU 209 CO 0.44 -0.41 1.45 -2.65 0.23 0.00 0.00 176.35 175.41 2wd8 n PRO 210 N -1.03 1.06 0.25 1.29 -0.02 -1.26 -4.81 135.00 130.48 2wd8 n PRO 210 Ca 0.05 0.38 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 2wd8 n PRO 210 Cb 0.54 -2.03 0.67 0.00 -0.02 0.00 0.00 33.50 32.66 2wd8 n PRO 210 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2wd8 h VAL 211 N 3.93 0.74 0.00 -1.45 3.04 -2.03 -1.46 116.25 119.02 2wd8 h VAL 211 Ca -0.47 -0.54 -0.08 0.00 -1.01 0.00 0.00 66.70 64.60 2wd8 h VAL 211 Cb 1.34 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 2wd8 h VAL 211 CO 0.83 0.13 -0.36 0.00 -1.01 0.00 0.00 177.57 177.16 2wd8 h ALA 212 N 1.86 0.89 -2.71 3.17 0.00 -2.04 -3.45 119.26 116.99 2wd8 h ALA 212 Ca -0.00 -0.33 -0.52 0.00 0.00 0.00 0.00 54.91 54.06 2wd8 h ALA 212 Cb 0.31 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 18.11 2wd8 h ALA 212 CO 0.02 0.45 0.98 -0.12 0.00 0.00 0.00 179.25 180.58 2wd8 n MET 213 N -3.36 2.78 -1.68 0.00 0.00 -0.55 -4.92 117.12 109.40 2wd8 n MET 213 Ca 0.01 1.00 -0.44 0.00 0.00 0.00 0.00 57.70 58.27 2wd8 n MET 213 Cb 0.56 -2.83 -0.02 0.00 0.00 0.00 0.00 33.22 30.94 2wd8 n MET 213 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2wd8 n GLY 214 N 3.40 0.65 0.33 -5.12 0.00 -1.26 -4.77 105.19 98.41 2wd8 n GLY 214 Ca 0.14 0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.69 2wd8 n GLY 214 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wd8 h GLU 215 N 3.46 0.57 -0.21 1.61 4.39 -1.93 0.24 114.58 122.71 2wd8 h GLU 215 Ca -0.45 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.17 2wd8 h GLU 215 Cb 1.28 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.79 2wd8 h GLU 215 CO 0.70 0.38 -0.07 1.05 -1.16 0.00 0.00 179.01 179.91 2wd8 h GLU 216 N 0.59 0.33 0.02 2.33 9.09 -1.99 0.75 114.58 125.69 2wd8 h GLU 216 Ca 0.54 -0.07 -0.16 0.00 0.05 0.00 0.00 59.36 59.72 2wd8 h GLU 216 Cb 0.90 -0.05 0.01 0.00 -1.65 0.00 0.00 28.75 27.97 2wd8 h GLU 216 CO -0.43 0.42 -0.65 1.49 0.05 0.00 0.00 179.01 179.88 2wd8 h GLU 217 N 0.31 0.41 -0.77 1.06 4.81 -1.49 -3.12 114.58 115.80 2wd8 h GLU 217 Ca 0.07 -0.47 0.17 0.00 -0.13 0.00 0.00 59.36 59.00 2wd8 h GLU 217 Cb 0.33 0.14 -0.14 0.00 0.63 0.00 0.00 28.75 29.71 2wd8 h GLU 217 CO 0.02 1.13 -0.04 0.87 -0.73 0.00 0.00 179.01 180.26 2wd8 h LYS 218 N -0.12 0.07 0.00 1.92 1.57 -0.21 -1.70 116.57 118.10 2wd8 h LYS 218 Ca -0.09 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 2wd8 h LYS 218 Cb 1.38 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.67 2wd8 h LYS 218 CO 0.13 0.05 -0.23 -0.44 -0.57 0.00 0.00 179.45 178.38 2wd8 h ASP 219 N 0.07 0.00 -0.43 0.86 3.32 -0.90 -2.18 116.42 117.16 2wd8 h ASP 219 Ca 0.41 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 2wd8 h ASP 219 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2wd8 h ASP 219 CO -0.70 0.23 -0.01 0.11 -1.72 0.00 0.00 179.24 177.15 2wd8 h LYS 220 N 0.00 0.84 0.08 3.56 1.57 -1.24 -2.28 116.57 119.10 2wd8 h LYS 220 Ca -0.00 -0.24 -0.26 0.00 -1.87 0.00 0.00 60.65 58.28 2wd8 h LYS 220 Cb 0.47 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.71 2wd8 h LYS 220 CO 0.03 0.85 -1.08 -1.49 -0.57 0.00 0.00 179.45 177.19 2wd8 h TRP 221 N 0.78 0.93 -0.37 -1.35 4.06 -1.34 -3.32 115.95 115.34 2wd8 h TRP 221 Ca 0.15 -0.57 -0.01 0.00 2.06 0.00 0.00 58.89 60.53 2wd8 h TRP 221 Cb 0.48 -0.08 -0.02 0.00 -1.00 0.00 0.00 29.16 28.54 2wd8 h TRP 221 CO 0.03 1.41 0.20 0.00 -3.56 0.00 0.00 178.44 176.52 2wd8 h ARG 222 N 0.19 0.51 -0.34 0.49 3.08 -1.38 -2.43 114.38 114.51 2wd8 h ARG 222 Ca -0.16 -0.06 0.10 0.00 0.07 0.00 0.00 59.98 59.93 2wd8 h ARG 222 Cb 1.77 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.70 2wd8 h ARG 222 CO 0.21 0.42 0.33 0.00 -1.07 0.00 0.00 179.97 179.86 2wd8 h ARG 223 N 0.47 0.00 0.00 0.04 3.08 -1.53 -0.12 114.38 116.32 2wd8 h ARG 223 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 2wd8 h ARG 223 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2wd8 h ARG 223 CO -0.02 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.51 2wd8 n LYS 224 N -3.88 0.11 -2.90 0.04 5.02 -0.92 -4.75 118.16 110.87 2wd8 n LYS 224 Ca 0.05 0.32 -0.42 0.00 -2.02 0.00 0.00 58.31 56.24 2wd8 n LYS 224 Cb 0.49 -1.69 -0.05 0.00 -0.02 0.00 0.00 35.03 33.76 2wd8 n LYS 224 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wd8 s VAL 225 N -3.16 4.68 0.14 -0.18 1.01 -0.06 -4.78 120.40 118.05 2wd8 s VAL 225 Ca 0.06 0.99 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 2wd8 s VAL 225 Cb 0.10 -4.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2wd8 s VAL 225 CO 0.35 -0.47 1.79 -0.65 0.00 0.00 0.00 175.10 176.12 2wd8 h PRO 226 N 8.47 0.36 -5.81 2.72 0.11 -1.85 -2.06 132.00 133.94 2wd8 h PRO 226 Ca -0.24 -0.02 -0.63 0.00 0.11 0.00 0.00 66.00 65.22 2wd8 h PRO 226 Cb 1.09 -0.08 -0.12 0.00 0.11 0.00 0.00 31.00 32.00 2wd8 h PRO 226 CO 0.93 0.24 1.38 -1.17 -0.21 0.00 0.00 178.00 179.17 2wd8 s LEU 227 N -10.19 3.92 0.00 2.35 2.96 -0.03 -4.24 118.68 113.45 2wd8 s LEU 227 Ca -0.13 -1.67 0.00 0.00 -0.22 0.00 0.00 54.13 52.11 2wd8 s LEU 227 Cb 0.10 -2.53 0.00 0.00 0.50 0.00 0.00 46.19 44.26 2wd8 s LEU 227 CO 0.71 -1.37 0.00 0.61 -1.32 0.00 0.00 176.35 174.98 2wd8 n GLY 228 N 6.43 0.63 3.71 7.98 0.00 -1.26 -4.39 105.19 118.29 2wd8 n GLY 228 Ca 0.32 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.10 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 -5.91 -3.50 1.61 3.00 -0.77 -4.97 116.66 104.12 2wd8 n ARG 229 Ca 0.00 0.68 -0.11 0.00 -0.01 0.00 0.00 57.85 58.41 2wd8 n ARG 229 Cb 0.00 -5.50 -0.03 0.00 0.00 0.00 0.00 32.46 26.93 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 -6.16 1.21 0.66 5.56 1.70 -1.18 -4.20 118.95 116.54 2wd8 s ARG 230 Ca 0.32 -0.56 -0.11 0.00 -0.47 0.00 0.00 55.73 54.91 2wd8 s ARG 230 Cb -0.15 0.55 -0.01 0.00 -0.57 0.00 0.00 34.95 34.76 2wd8 s ARG 230 CO 0.79 -0.51 1.05 -1.83 -1.08 0.00 0.00 175.30 173.72 2wd8 s GLU 231 N -3.77 3.21 0.28 3.89 1.03 -1.26 -4.88 118.70 117.21 2wd8 s GLU 231 Ca 0.02 0.87 -0.29 0.00 0.03 0.00 0.00 54.97 55.59 2wd8 s GLU 231 Cb 0.00 -2.03 -0.10 0.00 -0.80 0.00 0.00 34.13 31.21 2wd8 s GLU 231 CO -0.13 -0.88 1.18 0.00 -1.33 0.00 0.00 175.26 174.11 2wd8 s ALA 232 N -3.10 3.44 0.70 -0.84 0.00 -0.05 -4.93 121.76 116.99 2wd8 s ALA 232 Ca 0.57 1.03 -0.14 0.00 0.00 0.00 0.00 51.96 53.42 2wd8 s ALA 232 Cb -0.13 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.63 2wd8 s ALA 232 CO 0.55 -0.35 1.11 -1.54 0.00 0.00 0.00 175.76 175.53 2wd8 s SER 233 N -0.61 4.81 0.29 0.00 1.04 -1.26 -2.95 113.70 115.02 2wd8 s SER 233 Ca 0.47 1.98 0.03 0.00 0.48 0.00 0.00 55.95 58.91 2wd8 s SER 233 Cb -0.35 -2.55 0.63 0.00 0.10 0.00 0.00 66.02 63.85 2wd8 s SER 233 CO 0.44 -1.84 1.81 0.00 0.98 0.00 0.00 173.24 174.64 2wd8 h ALA 234 N -0.38 1.57 -0.44 5.32 0.00 -1.96 -2.39 119.26 121.00 2wd8 h ALA 234 Ca -0.46 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2wd8 h ALA 234 Cb 1.25 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2wd8 h ALA 234 CO 0.53 0.11 0.19 0.93 0.00 0.00 0.00 179.25 181.01 2wd8 h GLU 235 N 0.90 0.61 -0.38 0.00 3.07 -1.92 -1.16 114.58 115.70 2wd8 h GLU 235 Ca 0.53 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.36 59.16 2wd8 h GLU 235 Cb 0.66 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.44 2wd8 h GLU 235 CO -0.31 0.49 -0.36 1.96 -1.40 0.00 0.00 179.01 179.39 2wd8 h GLN 236 N 0.61 0.89 -0.28 2.33 4.20 -1.80 -0.52 115.11 120.55 2wd8 h GLN 236 Ca 0.15 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 2wd8 h GLN 236 Cb 0.10 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 2wd8 h GLN 236 CO -0.02 1.10 0.13 0.82 -0.67 0.00 0.00 178.83 180.19 2wd8 h ILE 237 N 0.74 1.15 -0.91 2.54 1.08 -1.38 -2.96 117.51 117.77 2wd8 h ILE 237 Ca 0.07 -0.44 0.06 0.00 -0.39 0.00 0.00 64.86 64.16 2wd8 h ILE 237 Cb 0.94 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.56 2wd8 h ILE 237 CO 0.09 0.15 0.59 0.00 -0.69 0.00 0.00 178.15 178.29 2wd8 h ALA 238 N 0.99 1.51 -0.86 1.87 0.00 -0.99 -2.36 119.26 119.41 2wd8 h ALA 238 Ca 0.09 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.06 2wd8 h ALA 238 Cb 0.13 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 2wd8 h ALA 238 CO -0.01 0.36 0.56 -0.44 0.00 0.00 0.00 179.25 179.72 2wd8 h ASP 239 N 1.04 0.80 -0.52 0.00 3.32 -0.92 0.78 116.42 120.91 2wd8 h ASP 239 Ca 0.39 0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.35 2wd8 h ASP 239 Cb 0.19 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 2wd8 h ASP 239 CO -0.15 0.49 -0.07 0.00 -1.72 0.00 0.00 179.24 177.79 2wd8 h ALA 240 N 1.55 0.71 -0.59 3.45 0.00 -1.41 -1.75 119.26 121.23 2wd8 h ALA 240 Ca 0.39 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2wd8 h ALA 240 Cb 0.33 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wd8 h ALA 240 CO -0.15 0.60 0.34 0.28 0.00 0.00 0.00 179.25 180.31 2wd8 h VAL 241 N 0.84 1.18 0.05 0.00 2.07 -1.12 -1.97 116.25 117.31 2wd8 h VAL 241 Ca 0.14 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.22 2wd8 h VAL 241 Cb 0.63 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2wd8 h VAL 241 CO 0.04 0.19 -0.07 0.40 0.02 0.00 0.00 177.57 178.16 2wd8 h ILE 242 N 0.80 0.85 -0.43 4.57 1.08 -0.68 -2.18 117.51 121.52 2wd8 h ILE 242 Ca 0.21 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.77 2wd8 h ILE 242 Cb 0.01 0.85 -0.09 0.00 -3.07 0.00 0.00 36.82 34.51 2wd8 h ILE 242 CO -0.04 0.00 -0.27 0.15 -0.69 0.00 0.00 178.15 177.30 2wd8 h PHE 243 N -0.14 -0.74 -0.31 1.37 3.57 -1.23 -2.52 116.94 116.94 2wd8 h PHE 243 Ca 0.01 0.05 -0.03 0.00 3.53 0.00 0.00 57.97 61.53 2wd8 h PHE 243 Cb 0.14 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.26 2wd8 h PHE 243 CO -0.11 -0.34 0.06 -0.07 -2.23 0.00 0.00 178.31 175.62 2wd8 h LEU 244 N -0.19 0.41 -0.09 0.59 3.38 -1.03 -2.07 115.31 116.31 2wd8 h LEU 244 Ca 0.20 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wd8 h LEU 244 Cb 0.50 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2wd8 h LEU 244 CO -0.54 0.43 -0.16 1.33 0.09 0.00 0.00 178.44 179.59 2wd8 n VAL 245 N -4.35 0.00 -2.18 1.22 0.24 -0.85 -4.75 118.33 107.66 2wd8 n VAL 245 Ca 0.01 -0.02 -0.27 0.00 -2.04 0.00 0.00 64.34 62.02 2wd8 n VAL 245 Cb 0.18 -0.17 0.05 0.00 -1.47 0.00 0.00 33.84 32.44 2wd8 n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wd8 s SER 246 N -2.78 5.17 0.47 -1.34 1.04 -0.78 -4.95 113.70 110.52 2wd8 s SER 246 Ca 0.20 0.71 0.30 0.00 0.48 0.00 0.00 55.95 57.63 2wd8 s SER 246 Cb 0.19 -1.49 1.65 0.00 0.10 0.00 0.00 66.02 66.47 2wd8 s SER 246 CO 0.55 -1.40 1.92 1.23 0.98 0.00 0.00 173.24 176.52 2wd8 h GLY 247 N -0.51 0.00 1.28 7.32 0.00 -1.92 -2.37 103.07 106.87 2wd8 h GLY 247 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wd8 h GLY 247 CO 0.62 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.60 2wd8 n SER 248 N -2.59 0.00 -0.98 0.19 7.64 -1.26 -3.57 113.62 113.06 2wd8 n SER 248 Ca -0.02 -0.42 0.04 0.00 1.01 0.00 0.00 58.87 59.48 2wd8 n SER 248 Cb 0.08 -0.14 0.07 0.00 -1.01 0.00 0.00 64.21 63.21 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 -1.14 2.58 0.33 -0.43 0.00 -0.89 -4.87 120.51 116.09 2wd8 n ALA 249 Ca 0.15 -2.34 0.15 0.00 0.00 0.00 0.00 53.44 51.40 2wd8 n ALA 249 Cb 0.14 -0.57 0.60 0.00 0.00 0.00 0.00 19.45 19.61 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 0.72 0.00 -0.02 0.00 4.20 -1.69 -1.26 115.11 117.07 2wd8 h GLN 250 Ca -0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2wd8 h GLN 250 Cb 1.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2wd8 h GLN 250 CO 0.05 0.00 -0.21 0.98 -0.67 0.00 0.00 178.83 178.98 2wd8 n TYR 251 N -2.75 0.00 -2.96 2.96 9.36 -1.26 -4.93 117.16 117.58 2wd8 n TYR 251 Ca 0.01 0.00 -0.42 0.00 3.32 0.00 0.00 57.90 60.82 2wd8 n TYR 251 Cb 0.29 -0.01 -0.05 0.00 -0.63 0.00 0.00 39.34 38.94 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 -2.23 4.79 -0.06 2.97 1.01 -0.48 -5.03 121.20 122.17 2wd8 s ILE 252 Ca 0.25 1.11 -0.16 0.00 0.00 0.00 0.00 60.65 61.85 2wd8 s ILE 252 Cb 0.19 -4.15 0.03 0.00 0.01 0.00 0.00 42.46 38.55 2wd8 s ILE 252 CO 0.43 -0.27 0.38 0.28 0.00 0.00 0.00 174.94 175.76 2wd8 s THR 253 N 2.96 0.03 -0.15 2.92 -1.32 -1.26 -4.65 115.64 114.18 2wd8 s THR 253 Ca 0.32 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.52 2wd8 s THR 253 Cb -0.14 -0.64 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 2wd8 s THR 253 CO 0.13 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 2wd8 n GLY 254 N 1.73 0.48 3.85 6.08 0.00 0.41 -4.95 105.19 112.79 2wd8 n GLY 254 Ca -0.19 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.27 2wd8 n GLY 254 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wd8 s SER 255 N -2.25 6.12 -0.25 1.61 0.15 -1.26 -4.81 113.70 113.01 2wd8 s SER 255 Ca 0.00 0.33 0.03 0.00 0.70 0.00 0.00 55.95 57.01 2wd8 s SER 255 Cb 0.00 -1.90 0.05 0.00 -1.71 0.00 0.00 66.02 62.47 2wd8 s SER 255 CO 0.00 0.33 -0.12 -0.63 1.20 0.00 0.00 173.24 174.03 2wd8 s ILE 256 N -1.14 2.10 -0.31 6.45 1.01 -1.26 -0.52 121.20 127.53 2wd8 s ILE 256 Ca 0.20 -1.51 -0.20 0.00 0.00 0.00 0.00 60.65 59.15 2wd8 s ILE 256 Cb -0.12 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.16 2wd8 s ILE 256 CO 0.10 0.04 0.59 -0.63 0.00 0.00 0.00 174.94 175.05 2wd8 s ILE 257 N 1.15 4.96 0.23 2.92 1.01 0.09 -4.88 121.20 126.68 2wd8 s ILE 257 Ca -0.07 0.74 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 2wd8 s ILE 257 Cb -0.19 -3.98 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 2wd8 s ILE 257 CO -0.06 -0.14 1.22 -0.54 0.00 0.00 0.00 174.94 175.41 2wd8 s LYS 258 N 2.54 4.48 -0.57 2.79 1.02 -1.26 -0.68 119.74 128.06 2wd8 s LYS 258 Ca 0.23 1.95 0.06 0.00 0.02 0.00 0.00 55.97 58.23 2wd8 s LYS 258 Cb -0.15 -3.19 0.20 0.00 -0.52 0.00 0.00 37.83 34.17 2wd8 s LYS 258 CO 0.12 -0.07 0.53 0.28 -0.92 0.00 0.00 175.35 175.29 2wd8 n VAL 259 N 2.01 0.76 -0.57 3.17 0.31 0.45 -4.87 118.33 119.59 2wd8 n VAL 259 Ca 0.03 -4.48 0.00 0.00 -0.01 0.00 0.00 64.34 59.88 2wd8 n VAL 259 Cb 0.44 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 1.77 0.79 -1.27 4.52 5.75 -1.26 -3.28 116.55 123.58 2wd8 n ASP 260 Ca 0.25 -1.36 -0.15 0.00 -0.01 0.00 0.00 54.79 53.51 2wd8 n ASP 260 Cb 0.43 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.18 1.45 1.34 6.12 0.00 -1.26 -1.45 105.19 111.20 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 -0.13 0.75 0.26 -0.02 0.00 -1.26 -0.85 105.19 103.94 2wd8 n GLY 262 Ca -0.15 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.91 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 0.20 -1.12 0.99 5.85 -1.56 -1.00 115.31 118.68 2wd8 h LEU 263 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2wd8 h LEU 263 Cb 0.00 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.14 2wd8 h LEU 263 CO 0.00 0.08 0.00 0.77 -0.34 0.00 0.00 178.44 178.95 2wd8 h SER 264 N 0.39 0.00 0.39 1.25 4.64 -1.87 -2.33 113.55 116.01 2wd8 h SER 264 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2wd8 h SER 264 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2wd8 h SER 264 CO -0.40 0.00 -0.30 0.18 -0.87 0.00 0.00 176.83 175.43 2wd8 n LEU 265 N -2.41 0.70 -4.61 5.97 4.77 -0.38 -4.87 117.00 116.18 2wd8 n LEU 265 Ca 0.01 -0.09 -0.42 0.00 -0.03 0.00 0.00 56.01 55.48 2wd8 n LEU 265 Cb 0.18 -0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.03 2wd8 n LEU 265 CO 0.18 0.14 0.62 -0.69 -1.33 0.00 0.00 177.39 176.31 2wd8 s VAL 266 N -2.70 4.75 0.96 4.08 1.01 -0.88 -5.05 120.40 122.57 2wd8 s VAL 266 Ca 0.20 1.13 -0.12 0.00 0.00 0.00 0.00 61.98 63.19 2wd8 s VAL 266 Cb 0.19 -4.19 0.17 0.00 0.00 0.00 0.00 36.38 32.54 2wd8 s VAL 266 CO 0.57 -0.33 1.09 -1.38 0.00 0.00 0.00 175.10 175.06 2wd8 s HIS 267 N 3.06 2.16 -1.80 5.22 -3.43 -1.26 -5.09 115.29 114.15 2wd8 s HIS 267 Ca 0.33 1.12 0.00 0.00 -0.80 0.00 0.00 55.06 55.71 2wd8 s HIS 267 Cb -0.14 -3.21 0.00 0.00 -1.43 0.00 0.00 32.58 27.80 2wd8 s HIS 267 CO 0.14 -2.72 0.45 0.00 -2.00 0.00 0.00 174.74 170.61