#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 3.23 0.77 0.62 0.00 -1.26 -5.04 121.76 120.08 2wd8 s ALA 3 Ca 0.00 0.73 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 2wd8 s ALA 3 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.91 2wd8 s ALA 3 CO 0.00 -0.09 1.12 -1.25 0.00 0.00 0.00 175.76 175.54 2wd8 s PRO 4 N -1.96 2.15 -0.01 0.00 0.04 -1.26 -4.73 135.00 129.24 2wd8 s PRO 4 Ca 0.51 1.35 0.08 0.00 0.04 0.00 0.00 61.00 62.97 2wd8 s PRO 4 Cb -0.25 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 2wd8 s PRO 4 CO 0.32 -1.75 -0.25 0.00 0.04 0.00 0.00 177.00 175.35 2wd8 s ALA 5 N -2.64 2.21 -0.00 8.56 0.00 -1.26 -0.27 121.76 128.36 2wd8 s ALA 5 Ca 0.65 -1.15 0.06 0.00 0.00 0.00 0.00 51.96 51.52 2wd8 s ALA 5 Cb -0.20 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.35 2wd8 s ALA 5 CO 0.52 0.53 -0.18 0.00 0.00 0.00 0.00 175.76 176.63 2wd8 s ALA 6 N -0.67 1.51 -0.21 0.00 0.00 0.73 0.10 121.76 123.22 2wd8 s ALA 6 Ca 0.11 -0.81 -0.07 0.00 0.00 0.00 0.00 51.96 51.18 2wd8 s ALA 6 Cb -0.10 -0.37 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2wd8 s ALA 6 CO -0.00 0.36 0.06 0.08 0.00 0.00 0.00 175.76 176.26 2wd8 s VAL 7 N -0.49 4.47 -0.19 0.00 1.01 0.93 -0.21 120.40 125.92 2wd8 s VAL 7 Ca 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 2wd8 s VAL 7 Cb -0.07 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.28 2wd8 s VAL 7 CO -0.00 0.40 -0.15 -0.69 0.00 0.00 0.00 175.10 174.66 2wd8 s VAL 8 N 0.96 2.43 0.41 2.92 1.01 -0.91 -0.37 120.40 126.85 2wd8 s VAL 8 Ca 0.03 -0.85 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 2wd8 s VAL 8 Cb -0.14 -2.06 -0.10 0.00 0.00 0.00 0.00 36.38 34.07 2wd8 s VAL 8 CO 0.03 0.48 0.90 0.42 0.00 0.00 0.00 175.10 176.93 2wd8 s THR 9 N 1.33 4.48 -1.42 3.92 -4.23 -0.88 -1.99 115.64 116.85 2wd8 s THR 9 Ca 0.05 1.32 -0.06 0.00 -1.18 0.00 0.00 61.69 61.82 2wd8 s THR 9 Cb -0.14 -3.62 0.04 0.00 1.34 0.00 0.00 72.50 70.12 2wd8 s THR 9 CO -0.10 -0.33 0.75 0.61 -0.54 0.00 0.00 174.62 175.01 2wd8 n GLY 10 N -0.68 -0.35 0.31 3.99 0.00 -1.20 -2.98 105.19 104.27 2wd8 n GLY 10 Ca 0.06 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.44 2.95 -0.12 4.61 0.00 -0.44 -3.98 120.51 119.09 2wd8 n ALA 11 Ca -0.17 -0.42 -0.08 0.00 0.00 0.00 0.00 53.44 52.78 2wd8 n ALA 11 Cb 0.62 -1.14 0.08 0.00 0.00 0.00 0.00 19.45 19.02 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 3.86 0.89 -2.28 0.00 0.00 -1.89 -2.94 119.26 116.89 2wd8 h ALA 12 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 54.91 54.26 2wd8 h ALA 12 Cb 0.51 -0.17 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 2wd8 h ALA 12 CO 0.00 0.63 -0.65 0.15 0.00 0.00 0.00 179.25 179.38 2wd8 s LYS 13 N -4.75 1.19 4.41 0.00 1.02 -1.26 -4.63 119.74 115.72 2wd8 s LYS 13 Ca -0.10 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.30 2wd8 s LYS 13 Cb 0.13 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.14 2wd8 s LYS 13 CO 0.84 -0.16 0.00 0.54 -0.92 0.00 0.00 175.35 175.65 2wd8 n ARG 14 N -0.30 0.00 -0.16 1.68 1.74 -1.26 -2.46 116.66 115.90 2wd8 n ARG 14 Ca -0.05 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.95 2wd8 n ARG 14 Cb 0.64 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.08 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 1.19 -0.93 0.55 2.04 -1.90 -2.74 117.51 115.72 2wd8 h ILE 15 Ca 0.00 -0.57 0.01 0.00 1.00 0.00 0.00 64.86 65.30 2wd8 h ILE 15 Cb 0.00 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2wd8 h ILE 15 CO 0.00 0.22 0.61 1.23 0.00 0.00 0.00 178.15 180.21 2wd8 h GLY 16 N 0.60 1.32 0.73 5.37 0.00 -1.65 -1.72 103.07 107.71 2wd8 h GLY 16 Ca 0.16 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.01 2wd8 h GLY 16 CO -0.02 0.46 -0.20 -0.09 0.00 0.00 0.00 176.54 176.70 2wd8 h ARG 17 N 1.24 -0.39 -0.95 4.80 2.43 -1.27 -0.05 114.38 120.20 2wd8 h ARG 17 Ca 0.35 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.60 2wd8 h ARG 17 Cb -0.12 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 2wd8 h ARG 17 CO -0.08 -0.26 0.61 0.00 -1.51 0.00 0.00 179.97 178.72 2wd8 h ALA 18 N 0.36 1.30 0.07 2.80 0.00 -1.25 0.51 119.26 123.06 2wd8 h ALA 18 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wd8 h ALA 18 Cb 0.40 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wd8 h ALA 18 CO -0.07 0.40 -0.04 0.82 0.00 0.00 0.00 179.25 180.36 2wd8 h ILE 19 N 1.11 0.98 -0.41 0.00 2.04 -1.13 -0.94 117.51 119.17 2wd8 h ILE 19 Ca 0.41 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 66.09 2wd8 h ILE 19 Cb 0.14 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2wd8 h ILE 19 CO -0.17 0.05 0.25 0.00 0.00 0.00 0.00 178.15 178.29 2wd8 h ALA 20 N 0.74 0.52 -0.76 1.87 0.00 0.25 0.56 119.26 122.43 2wd8 h ALA 20 Ca -0.01 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2wd8 h ALA 20 Cb 0.15 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 2wd8 h ALA 20 CO 0.02 -0.06 0.43 0.28 0.00 0.00 0.00 179.25 179.92 2wd8 h VAL 21 N 0.51 0.96 0.01 0.00 2.07 0.03 -2.24 116.25 117.59 2wd8 h VAL 21 Ca 0.16 -0.27 -0.27 0.00 0.82 0.00 0.00 66.70 67.14 2wd8 h VAL 21 Cb -0.02 0.12 0.02 0.00 -1.52 0.00 0.00 31.29 29.89 2wd8 h VAL 21 CO -0.06 0.14 -1.06 0.50 0.02 0.00 0.00 177.57 177.11 2wd8 h LYS 22 N 0.77 0.69 -0.99 1.57 3.64 -0.62 -1.35 116.57 120.29 2wd8 h LYS 22 Ca 0.35 -0.77 0.08 0.00 -1.27 0.00 0.00 60.65 59.05 2wd8 h LYS 22 Cb 0.24 0.22 -0.07 0.00 -0.41 0.00 0.00 32.23 32.21 2wd8 h LYS 22 CO -0.20 1.33 0.63 -0.07 -2.27 0.00 0.00 179.45 178.87 2wd8 h LEU 23 N 0.37 0.98 -0.27 5.20 3.38 -0.86 -1.77 115.31 122.34 2wd8 h LEU 23 Ca -0.14 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.72 2wd8 h LEU 23 Cb 1.72 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.29 2wd8 h LEU 23 CO 0.21 0.59 -0.35 -0.74 0.09 0.00 0.00 178.44 178.23 2wd8 h HIS 24 N 1.09 0.88 0.00 1.13 2.76 -1.19 -0.08 115.15 119.73 2wd8 h HIS 24 Ca 0.45 -0.28 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2wd8 h HIS 24 Cb 0.28 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.06 2wd8 h HIS 24 CO -0.01 1.05 -0.11 1.96 -1.30 0.00 0.00 177.93 179.52 2wd8 h GLN 25 N 0.45 0.00 0.00 5.26 4.20 -1.03 -1.64 115.11 122.35 2wd8 h GLN 25 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2wd8 h GLN 25 Cb 0.94 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.72 2wd8 h GLN 25 CO 0.08 0.11 -0.10 1.15 -0.67 0.00 0.00 178.83 179.41 2wd8 h THR 26 N 0.00 0.00 0.00 -0.54 2.02 -0.95 -3.47 112.91 109.97 2wd8 h THR 26 Ca -0.00 -0.56 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2wd8 h THR 26 Cb 0.25 1.50 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2wd8 h THR 26 CO 0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.51 2wd8 n GLY 27 N 1.28 1.23 3.80 2.16 0.00 -0.62 -5.10 105.19 107.94 2wd8 n GLY 27 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 3.10 0.18 1.61 1.51 -0.08 -4.41 117.35 117.26 2wd8 s TYR 28 Ca 0.00 1.60 -0.19 0.00 -1.01 0.00 0.00 57.07 57.46 2wd8 s TYR 28 Cb 0.00 -3.03 -0.08 0.00 -0.11 0.00 0.00 41.96 38.74 2wd8 s TYR 28 CO 0.00 -0.65 0.67 1.03 -1.11 0.00 0.00 175.55 175.50 2wd8 s ARG 29 N -3.10 4.23 -0.01 -0.62 0.52 0.63 -4.27 118.95 116.32 2wd8 s ARG 29 Ca 0.65 0.81 0.04 0.00 -0.52 0.00 0.00 55.73 56.71 2wd8 s ARG 29 Cb -0.16 -2.99 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2wd8 s ARG 29 CO 0.20 0.47 -0.13 0.14 0.02 0.00 0.00 175.30 175.99 2wd8 s VAL 30 N -1.41 1.05 -0.31 3.52 -7.23 0.06 -0.20 120.40 115.89 2wd8 s VAL 30 Ca 0.39 -0.56 -0.12 0.00 -1.81 0.00 0.00 61.98 59.88 2wd8 s VAL 30 Cb -0.17 -0.88 -0.03 0.00 0.56 0.00 0.00 36.38 35.85 2wd8 s VAL 30 CO 0.21 0.30 0.24 -0.69 -0.31 0.00 0.00 175.10 174.85 2wd8 s VAL 31 N -0.23 5.27 -0.61 1.32 1.01 0.71 -1.49 120.40 126.38 2wd8 s VAL 31 Ca 0.04 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2wd8 s VAL 31 Cb -0.06 -3.64 0.08 0.00 0.00 0.00 0.00 36.38 32.76 2wd8 s VAL 31 CO -0.00 0.11 0.81 -0.63 0.00 0.00 0.00 175.10 175.39 2wd8 s ILE 32 N 1.80 4.61 0.25 2.22 1.01 0.11 -2.13 121.20 129.07 2wd8 s ILE 32 Ca 0.08 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 59.85 2wd8 s ILE 32 Cb -0.17 -4.55 -0.09 0.00 0.01 0.00 0.00 42.46 37.67 2wd8 s ILE 32 CO 0.11 -1.22 0.84 -2.28 0.00 0.00 0.00 174.94 172.39 2wd8 s HIS 33 N 3.28 3.77 0.07 3.97 5.65 -0.84 -0.85 115.29 130.33 2wd8 s HIS 33 Ca 0.17 1.66 -0.09 0.00 0.25 0.00 0.00 55.06 57.05 2wd8 s HIS 33 Cb -0.20 -2.81 0.00 0.00 -1.18 0.00 0.00 32.58 28.39 2wd8 s HIS 33 CO 0.09 0.35 0.19 1.52 -0.65 0.00 0.00 174.74 176.24 2wd8 s TYR 34 N -1.43 0.11 -0.01 3.88 -0.85 0.03 -1.33 117.35 117.75 2wd8 s TYR 34 Ca 0.44 -0.46 -0.04 0.00 -0.52 0.00 0.00 57.07 56.49 2wd8 s TYR 34 Cb -0.20 -0.05 -0.01 0.00 0.38 0.00 0.00 41.96 42.08 2wd8 s TYR 34 CO 0.25 -0.50 -0.07 1.58 -1.52 0.00 0.00 175.55 175.29 2wd8 n HIS 35 N 0.24 0.00 -0.09 -3.49 -0.00 -1.26 -0.71 115.22 109.91 2wd8 n HIS 35 Ca -0.17 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.40 2wd8 n HIS 35 Cb 0.61 -0.10 -0.14 0.00 -0.00 0.00 0.00 29.99 30.37 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 -3.14 1.32 -3.40 0.26 3.02 -1.26 -4.72 115.26 107.34 2wd8 n ASN 36 Ca -0.03 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.13 2wd8 n ASN 36 Cb 0.10 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.22 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 -3.12 8.03 0.16 6.41 7.64 -1.26 -4.71 113.62 126.78 2wd8 n SER 37 Ca -0.38 -2.72 -0.14 0.00 1.01 0.00 0.00 58.87 56.64 2wd8 n SER 37 Cb 1.05 -1.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.64 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 5.05 -0.36 -0.45 -0.43 0.00 -1.95 -1.97 119.26 119.14 2wd8 h ALA 38 Ca 0.80 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.67 2wd8 h ALA 38 Cb 0.33 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 2wd8 h ALA 38 CO 1.74 -0.66 0.10 1.49 0.00 0.00 0.00 179.25 181.91 2wd8 h GLU 39 N -0.44 0.23 -0.24 0.00 4.81 -2.00 -0.89 114.58 116.05 2wd8 h GLU 39 Ca -0.04 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.06 2wd8 h GLU 39 Cb 0.34 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2wd8 h GLU 39 CO 0.06 0.15 -0.37 0.00 -0.73 0.00 0.00 179.01 178.13 2wd8 h ALA 40 N 1.34 0.91 -0.36 2.92 0.00 -1.92 -1.10 119.26 121.05 2wd8 h ALA 40 Ca 0.22 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 2wd8 h ALA 40 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2wd8 h ALA 40 CO -0.28 0.63 -0.16 0.00 0.00 0.00 0.00 179.25 179.44 2wd8 h ALA 41 N 1.15 0.50 -0.51 0.00 0.00 -1.06 -2.12 119.26 117.22 2wd8 h ALA 41 Ca 0.05 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.51 2wd8 h ALA 41 Cb 0.85 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2wd8 h ALA 41 CO 0.07 0.42 -0.09 0.28 0.00 0.00 0.00 179.25 179.93 2wd8 h VAL 42 N 0.53 1.27 -0.88 0.00 2.07 -1.06 -1.72 116.25 116.45 2wd8 h VAL 42 Ca 0.08 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.42 2wd8 h VAL 42 Cb 0.69 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 2wd8 h VAL 42 CO 0.05 0.43 0.58 -1.28 0.02 0.00 0.00 177.57 177.37 2wd8 h SER 43 N 0.83 0.93 0.33 0.57 0.87 -1.19 -0.98 113.55 114.90 2wd8 h SER 43 Ca 0.13 -0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2wd8 h SER 43 Cb 0.65 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 2wd8 h SER 43 CO 0.04 0.62 -0.16 0.25 -0.53 0.00 0.00 176.83 177.06 2wd8 h LEU 44 N 1.07 -0.38 -0.87 2.23 5.85 -1.13 -2.88 115.31 119.19 2wd8 h LEU 44 Ca 0.36 -0.17 0.22 0.00 0.84 0.00 0.00 57.88 59.14 2wd8 h LEU 44 Cb 0.09 0.10 -0.13 0.00 0.37 0.00 0.00 40.66 41.09 2wd8 h LEU 44 CO -0.12 0.00 0.31 0.00 -0.34 0.00 0.00 178.44 178.30 2wd8 h ALA 45 N -0.34 1.33 -0.21 1.25 0.00 -1.19 -0.42 119.26 119.67 2wd8 h ALA 45 Ca -0.05 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.07 2wd8 h ALA 45 Cb 0.52 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2wd8 h ALA 45 CO 0.08 -0.40 0.06 -0.44 0.00 0.00 0.00 179.25 178.55 2wd8 h ASP 46 N 0.31 0.06 -0.46 0.00 3.32 -1.20 0.16 116.42 118.61 2wd8 h ASP 46 Ca 0.54 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.55 2wd8 h ASP 46 Cb 1.06 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.60 2wd8 h ASP 46 CO -0.58 0.06 0.07 -0.08 -1.72 0.00 0.00 179.24 176.99 2wd8 h GLU 47 N 0.16 0.83 -0.13 3.56 4.81 -1.11 -0.35 114.58 122.35 2wd8 h GLU 47 Ca 0.09 -0.20 -0.19 0.00 -0.13 0.00 0.00 59.36 58.94 2wd8 h GLU 47 Cb 0.07 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.35 2wd8 h GLU 47 CO -0.10 0.79 -0.65 -0.07 -0.73 0.00 0.00 179.01 178.25 2wd8 h LEU 48 N 0.79 0.80 -0.94 1.64 3.38 -0.84 -3.06 115.31 117.08 2wd8 h LEU 48 Ca 0.16 -0.63 -0.08 0.00 0.09 0.00 0.00 57.88 57.43 2wd8 h LEU 48 Cb 0.38 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2wd8 h LEU 48 CO 0.01 1.30 -0.05 0.78 0.09 0.00 0.00 178.44 180.57 2wd8 h ASN 49 N 0.35 0.69 0.10 -0.43 2.35 -0.60 -1.24 115.58 116.80 2wd8 h ASN 49 Ca -0.04 -0.18 -0.02 0.00 -0.55 0.00 0.00 56.30 55.51 2wd8 h ASN 49 Cb 1.28 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 39.46 2wd8 h ASN 49 CO 0.13 0.79 -0.09 0.50 -1.65 0.00 0.00 177.43 177.12 2wd8 h LYS 50 N 0.67 0.00 0.37 0.81 1.63 -1.12 -2.84 116.57 116.08 2wd8 h LYS 50 Ca 0.13 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2wd8 h LYS 50 Cb 0.48 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.12 2wd8 h LYS 50 CO 0.02 0.09 -0.18 1.49 -3.45 0.00 0.00 179.45 177.43 2wd8 h GLU 51 N 0.00 -0.48 -4.00 1.90 4.57 -1.34 -3.45 114.58 111.78 2wd8 h GLU 51 Ca -0.00 0.03 -0.48 0.00 -1.18 0.00 0.00 59.36 57.73 2wd8 h GLU 51 Cb 0.16 0.11 -0.37 0.00 -0.16 0.00 0.00 28.75 28.49 2wd8 h GLU 51 CO 0.01 -0.32 -0.79 1.03 -1.18 0.00 0.00 179.01 177.77 2wd8 s ARG 52 N -3.17 1.09 0.37 1.92 0.52 -0.51 -5.12 118.95 114.05 2wd8 s ARG 52 Ca -0.07 -0.10 -0.28 0.00 -0.52 0.00 0.00 55.73 54.77 2wd8 s ARG 52 Cb 0.01 -1.26 -0.11 0.00 0.52 0.00 0.00 34.95 34.10 2wd8 s ARG 52 CO 0.22 -0.25 1.38 0.43 0.02 0.00 0.00 175.30 177.09 2wd8 n SER 53 N 4.91 3.20 -3.83 0.23 7.64 -1.09 -3.20 113.62 121.48 2wd8 n SER 53 Ca -0.12 1.20 -0.30 0.00 1.01 0.00 0.00 58.87 60.67 2wd8 n SER 53 Cb 0.50 -1.55 0.02 0.00 -1.01 0.00 0.00 64.21 62.17 2wd8 n SER 53 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2wd8 n ASN 54 N 0.52 -4.71 -0.15 6.43 4.13 -1.26 -4.88 115.26 115.35 2wd8 n ASN 54 Ca 0.03 -0.72 0.04 0.00 1.68 0.00 0.00 54.58 55.61 2wd8 n ASN 54 Cb 0.38 -3.77 -0.01 0.00 -1.54 0.00 0.00 39.78 34.83 2wd8 n ASN 54 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 2wd8 n THR 55 N -4.58 0.00 -3.79 3.41 -2.24 -1.19 -4.98 114.28 100.90 2wd8 n THR 55 Ca 0.03 -0.39 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 2wd8 n THR 55 Cb 0.53 1.08 -0.17 0.00 -2.10 0.00 0.00 70.33 69.67 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 -1.33 0.33 0.25 6.98 0.00 -1.26 -0.76 121.76 125.96 2wd8 s ALA 56 Ca 0.06 0.14 0.10 0.00 0.00 0.00 0.00 51.96 52.26 2wd8 s ALA 56 Cb 0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2wd8 s ALA 56 CO 0.24 -0.29 -0.18 0.14 0.00 0.00 0.00 175.76 175.67 2wd8 s VAL 57 N 1.59 2.18 0.10 0.00 -7.23 -0.56 -4.87 120.40 111.62 2wd8 s VAL 57 Ca -0.02 -2.33 0.03 0.00 -1.81 0.00 0.00 61.98 57.85 2wd8 s VAL 57 Cb -0.13 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 2wd8 s VAL 57 CO -0.03 -0.48 0.16 0.68 -0.31 0.00 0.00 175.10 175.12 2wd8 s VAL 58 N -2.70 4.87 -0.04 1.32 -7.23 -1.26 0.06 120.40 115.41 2wd8 s VAL 58 Ca 0.27 -0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2wd8 s VAL 58 Cb -0.03 -3.41 0.03 0.00 0.56 0.00 0.00 36.38 33.52 2wd8 s VAL 58 CO 0.12 0.04 0.01 0.00 -0.31 0.00 0.00 175.10 174.96 2wd8 s GLN 60 N 1.46 4.22 -0.27 0.00 -0.44 -1.26 -0.79 119.66 122.58 2wd8 s GLN 60 Ca -0.04 0.38 -0.15 0.00 -2.50 0.00 0.00 55.36 53.05 2wd8 s GLN 60 Cb -0.13 -3.53 0.08 0.00 -1.64 0.00 0.00 33.01 27.79 2wd8 s GLN 60 CO -0.03 -0.05 0.65 0.00 0.50 0.00 0.00 175.29 176.36 2wd8 s ALA 61 N 1.33 -1.77 -0.54 1.58 0.00 0.11 -4.96 121.76 117.51 2wd8 s ALA 61 Ca 0.23 2.29 -0.26 0.00 0.00 0.00 0.00 51.96 54.23 2wd8 s ALA 61 Cb -0.15 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.62 2wd8 s ALA 61 CO 0.09 -0.41 1.04 0.34 0.00 0.00 0.00 175.76 176.83 2wd8 s ASP 62 N 1.71 6.43 -0.00 0.00 -1.08 -1.26 -4.03 116.67 118.44 2wd8 s ASP 62 Ca -0.10 -0.04 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 2wd8 s ASP 62 Cb -0.06 -2.49 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 2wd8 s ASP 62 CO -0.19 -1.28 0.94 0.18 0.52 0.00 0.00 175.17 175.33 2wd8 n LEU 63 N 7.77 0.24 -4.61 -1.34 4.77 -1.26 -4.87 117.00 117.70 2wd8 n LEU 63 Ca 0.06 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 2wd8 n LEU 63 Cb 0.48 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2wd8 n LEU 63 CO 0.67 0.06 1.48 0.42 -1.33 0.00 0.00 177.39 178.69 2wd8 s THR 64 N -1.83 3.53 -0.20 -5.08 -4.23 -1.26 -3.43 115.64 103.14 2wd8 s THR 64 Ca 0.01 0.56 -0.18 0.00 -1.18 0.00 0.00 61.69 60.90 2wd8 s THR 64 Cb 0.01 -3.63 -0.08 0.00 1.34 0.00 0.00 72.50 70.14 2wd8 s THR 64 CO 0.01 -0.35 0.70 -3.20 -0.54 0.00 0.00 174.62 171.24 2wd8 n ASN 65 N 9.58 0.41 -2.53 3.99 5.15 -1.03 -4.72 115.26 126.11 2wd8 n ASN 65 Ca 0.22 0.40 -0.10 0.00 -0.60 0.00 0.00 54.58 54.50 2wd8 n ASN 65 Cb 0.46 -0.35 -0.00 0.00 -0.53 0.00 0.00 39.78 39.36 2wd8 n ASN 65 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2wd8 n SER 66 N 2.04 -1.46 0.31 1.20 3.41 -1.26 -4.78 113.62 113.09 2wd8 n SER 66 Ca 0.15 -2.42 0.19 0.00 -0.26 0.00 0.00 58.87 56.53 2wd8 n SER 66 Cb -0.02 2.55 1.04 0.00 -0.26 0.00 0.00 64.21 67.52 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 -0.06 4.04 -1.07 -2.05 -3.02 115.58 115.02 2wd8 h ASN 67 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.13 2wd8 h ASN 67 Cb 0.98 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.23 2wd8 h ASN 67 CO 0.32 0.01 0.00 1.33 0.07 0.00 0.00 177.43 179.16 2wd8 n VAL 68 N -3.48 0.04 -0.29 6.14 0.24 -1.26 -4.46 118.33 115.26 2wd8 n VAL 68 Ca -0.03 -0.48 -0.03 0.00 -2.04 0.00 0.00 64.34 61.76 2wd8 n VAL 68 Cb 0.09 1.31 0.12 0.00 -1.47 0.00 0.00 33.84 33.89 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 4.33 1.05 -1.00 1.34 5.85 -1.81 -1.29 115.31 123.78 2wd8 h LEU 69 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.65 2wd8 h LEU 69 Cb 0.92 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2wd8 h LEU 69 CO 0.00 0.85 0.66 -0.65 -0.34 0.00 0.00 178.44 178.96 2wd8 h PRO 70 N 1.17 1.27 -0.11 5.25 0.11 -1.78 -1.59 132.00 136.31 2wd8 h PRO 70 Ca 0.29 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 2wd8 h PRO 70 Cb 0.04 -0.29 -0.00 0.00 0.11 0.00 0.00 31.00 30.86 2wd8 h PRO 70 CO -0.05 0.84 0.02 0.00 -0.21 0.00 0.00 178.00 178.61 2wd8 h ALA 71 N 1.40 0.15 -0.83 -0.75 0.00 -1.77 -1.84 119.26 115.63 2wd8 h ALA 71 Ca 0.39 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.29 2wd8 h ALA 71 Cb -0.06 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2wd8 h ALA 71 CO -0.11 -0.21 0.42 0.77 0.00 0.00 0.00 179.25 180.12 2wd8 h SER 72 N -0.03 0.50 -0.08 0.00 0.02 -1.09 -1.61 113.55 111.26 2wd8 h SER 72 Ca 0.04 0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 2wd8 h SER 72 Cb 0.27 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.82 2wd8 h SER 72 CO 0.00 0.22 -0.17 0.00 -1.14 0.00 0.00 176.83 175.74 2wd8 h GLU 74 N -0.21 0.15 -0.49 0.00 5.08 -1.23 -2.64 114.58 115.24 2wd8 h GLU 74 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2wd8 h GLU 74 Cb 0.76 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2wd8 h GLU 74 CO 0.04 0.10 0.30 0.93 -1.00 0.00 0.00 179.01 179.37 2wd8 h GLU 75 N 0.15 0.66 -0.29 2.33 5.08 -1.12 -0.45 114.58 120.95 2wd8 h GLU 75 Ca 0.48 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2wd8 h GLU 75 Cb 0.90 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2wd8 h GLU 75 CO -0.66 0.48 0.18 0.82 -1.00 0.00 0.00 179.01 178.82 2wd8 h ILE 76 N 0.65 1.10 -0.48 3.13 2.04 -1.07 0.16 117.51 123.04 2wd8 h ILE 76 Ca 0.18 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2wd8 h ILE 76 Cb -0.01 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wd8 h ILE 76 CO -0.03 0.10 0.04 0.40 0.00 0.00 0.00 178.15 178.65 2wd8 h ILE 77 N 0.37 1.26 -1.00 -0.67 1.08 -1.38 -2.82 117.51 114.34 2wd8 h ILE 77 Ca 0.10 -1.00 0.08 0.00 -0.39 0.00 0.00 64.86 63.66 2wd8 h ILE 77 Cb 0.01 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 34.64 2wd8 h ILE 77 CO -0.02 0.35 0.65 0.78 -0.69 0.00 0.00 178.15 179.22 2wd8 h ASN 78 N 0.69 1.01 0.39 1.72 2.35 -0.71 -2.11 115.58 118.92 2wd8 h ASN 78 Ca 0.14 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.86 2wd8 h ASN 78 Cb 0.45 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2wd8 h ASN 78 CO 0.02 0.62 -0.23 0.77 -1.65 0.00 0.00 177.43 176.95 2wd8 h SER 79 N 1.13 0.00 0.06 5.81 4.64 -0.44 0.13 113.55 124.88 2wd8 h SER 79 Ca 0.45 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.77 2wd8 h SER 79 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2wd8 h SER 79 CO -0.20 0.23 -0.03 0.00 -0.87 0.00 0.00 176.83 175.97 2wd8 h PHE 81 N -0.71 0.95 -0.66 0.00 -1.00 -1.28 -0.19 116.94 114.05 2wd8 h PHE 81 Ca -0.01 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.71 2wd8 h PHE 81 Cb 0.59 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.81 2wd8 h PHE 81 CO 0.12 0.47 0.07 0.00 -1.61 0.00 0.00 178.31 177.37 2wd8 h ARG 82 N 0.92 1.11 0.18 1.51 3.08 -0.75 0.04 114.38 120.46 2wd8 h ARG 82 Ca 0.39 -0.32 -0.30 0.00 0.07 0.00 0.00 59.98 59.82 2wd8 h ARG 82 Cb 0.30 -0.12 0.02 0.00 0.08 0.00 0.00 29.97 30.25 2wd8 h ARG 82 CO -0.15 1.04 -1.34 0.00 -1.07 0.00 0.00 179.97 178.44 2wd8 h ALA 83 N 1.03 -0.02 0.00 0.04 0.00 -1.10 -3.41 119.26 115.81 2wd8 h ALA 83 Ca 0.19 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2wd8 h ALA 83 Cb 0.49 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2wd8 h ALA 83 CO 0.02 0.85 -0.20 1.19 0.00 0.00 0.00 179.25 181.11 2wd8 n PHE 84 N -3.61 0.00 -0.99 0.00 0.99 -0.11 -5.03 117.46 108.70 2wd8 n PHE 84 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.33 2wd8 n PHE 84 Cb 1.06 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.54 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 0.88 0.40 3.62 1.37 0.00 -0.00 -4.98 105.19 106.48 2wd8 n GLY 85 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.70 0.17 -0.20 1.61 1.70 -1.26 -4.96 118.95 114.32 2wd8 s ARG 86 Ca 0.00 -0.06 -0.04 0.00 -0.47 0.00 0.00 55.73 55.16 2wd8 s ARG 86 Cb 0.00 0.08 0.09 0.00 -0.57 0.00 0.00 34.95 34.55 2wd8 s ARG 86 CO 0.00 -0.08 0.20 0.00 -1.08 0.00 0.00 175.30 174.34 2wd8 n ASP 88 N 5.31 0.40 -3.77 0.00 9.92 0.12 -4.95 116.55 123.57 2wd8 n ASP 88 Ca -0.06 0.19 -0.14 0.00 -0.53 0.00 0.00 54.79 54.25 2wd8 n ASP 88 Cb 0.49 0.60 -0.15 0.00 -0.64 0.00 0.00 41.12 41.42 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 -2.64 -0.05 -0.13 2.53 1.01 -0.94 -1.81 120.40 118.37 2wd8 s VAL 89 Ca -0.07 0.18 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2wd8 s VAL 89 Cb 0.07 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.32 2wd8 s VAL 89 CO 0.83 0.07 -0.20 -0.22 0.00 0.00 0.00 175.10 175.58 2wd8 s LEU 90 N 0.99 2.25 -0.31 3.92 2.96 -1.00 -0.05 118.68 127.45 2wd8 s LEU 90 Ca -0.08 -0.54 -0.01 0.00 -0.22 0.00 0.00 54.13 53.28 2wd8 s LEU 90 Cb -0.11 -1.48 0.06 0.00 0.50 0.00 0.00 46.19 45.16 2wd8 s LEU 90 CO -0.04 0.11 0.01 -0.69 -1.32 0.00 0.00 176.35 174.42 2wd8 s VAL 91 N 0.65 2.95 -1.05 1.68 1.01 0.51 -1.36 120.40 124.78 2wd8 s VAL 91 Ca -0.10 -1.47 -0.20 0.00 0.00 0.00 0.00 61.98 60.21 2wd8 s VAL 91 Cb -0.16 -2.73 0.09 0.00 0.00 0.00 0.00 36.38 33.57 2wd8 s VAL 91 CO 0.02 -0.16 1.41 0.20 0.00 0.00 0.00 175.10 176.57 2wd8 s ASN 92 N 1.28 6.64 -0.11 3.32 0.01 -0.13 -2.07 114.94 123.87 2wd8 s ASN 92 Ca -0.04 -1.89 0.10 0.00 -0.71 0.00 0.00 52.86 50.31 2wd8 s ASN 92 Cb -0.20 -2.51 -0.14 0.00 0.41 0.00 0.00 41.25 38.81 2wd8 s ASN 92 CO -0.02 -1.27 0.04 -3.20 -1.51 0.00 0.00 177.10 171.14 2wd8 n ASN 93 N 7.91 2.24 -4.57 -1.22 5.15 -1.26 -1.89 115.26 121.62 2wd8 n ASN 93 Ca 0.33 -0.00 -0.46 0.00 -0.60 0.00 0.00 54.58 53.85 2wd8 n ASN 93 Cb 0.49 0.77 -0.02 0.00 -0.53 0.00 0.00 39.78 40.48 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 -0.62 -3.67 5.20 0.00 -1.16 -4.86 120.51 112.99 2wd8 n ALA 94 Ca -0.18 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 2wd8 n ALA 94 Cb 0.86 -1.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.23 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 -0.40 -0.65 0.03 0.00 0.15 -1.26 -4.66 113.70 106.92 2wd8 s SER 95 Ca 0.64 1.14 -0.00 0.00 0.70 0.00 0.00 55.95 58.43 2wd8 s SER 95 Cb -0.77 1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 64.65 2wd8 s SER 95 CO 0.57 -0.21 0.15 0.00 1.20 0.00 0.00 173.24 174.94 2wd8 s ALA 96 N 1.77 3.81 -0.27 5.45 0.00 -1.26 -5.06 121.76 126.21 2wd8 s ALA 96 Ca -0.08 -0.87 -0.05 0.00 0.00 0.00 0.00 51.96 50.96 2wd8 s ALA 96 Cb -0.08 -1.70 0.14 0.00 0.00 0.00 0.00 23.12 21.47 2wd8 s ALA 96 CO -0.15 0.76 0.53 0.12 0.00 0.00 0.00 175.76 177.02 2wd8 s PHE 97 N -1.37 -1.20 -0.07 0.00 2.19 -1.26 -4.87 117.98 111.40 2wd8 s PHE 97 Ca 0.29 1.66 -0.32 0.00 0.33 0.00 0.00 56.93 58.90 2wd8 s PHE 97 Cb -0.13 0.46 0.12 0.00 -1.31 0.00 0.00 43.02 42.17 2wd8 s PHE 97 CO 0.21 -0.70 1.17 1.52 1.83 0.00 0.00 175.22 179.25 2wd8 s TYR 98 N 2.75 -0.12 0.58 10.12 -0.85 -1.26 -5.18 117.35 123.39 2wd8 s TYR 98 Ca 0.07 0.02 -0.15 0.00 -0.52 0.00 0.00 57.07 56.49 2wd8 s TYR 98 Cb -0.14 0.54 -0.05 0.00 0.38 0.00 0.00 41.96 42.70 2wd8 s TYR 98 CO -0.18 -0.34 1.03 -1.25 -1.52 0.00 0.00 175.55 173.30 2wd8 s PRO 99 N -2.60 3.51 -0.42 -3.49 0.04 -1.26 -4.69 135.00 126.08 2wd8 s PRO 99 Ca 0.11 1.05 0.05 0.00 0.04 0.00 0.00 61.00 62.25 2wd8 s PRO 99 Cb 0.01 -2.07 0.18 0.00 0.04 0.00 0.00 34.50 32.66 2wd8 s PRO 99 CO -0.04 -0.64 0.40 0.25 0.04 0.00 0.00 177.00 177.01 2wd8 n THR 100 N -2.07 -1.04 -1.68 1.26 -2.24 0.14 -4.99 114.28 103.65 2wd8 n THR 100 Ca 0.08 -3.12 -0.42 0.00 -2.27 0.00 0.00 64.05 58.31 2wd8 n THR 100 Cb 0.53 -1.30 -0.00 0.00 -2.10 0.00 0.00 70.33 67.46 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 2.79 1.94 0.16 -0.78 -0.02 -1.18 -4.29 135.00 133.63 2wd8 n PRO 101 Ca 0.28 0.68 0.04 0.00 -2.02 0.00 0.00 63.50 62.48 2wd8 n PRO 101 Cb 0.49 -2.26 0.20 0.00 -0.02 0.00 0.00 33.50 31.91 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 2.32 0.00 -4.49 2.45 3.38 -2.01 -3.51 115.31 113.45 2wd8 h LEU 102 Ca -0.46 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.02 2wd8 h LEU 102 Cb 1.30 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.63 2wd8 h LEU 102 CO 0.61 0.47 -0.89 0.52 0.09 0.00 0.00 178.44 179.25 2wd8 n VAL 103 N -3.43 2.04 0.00 1.22 0.31 -1.26 -5.25 118.33 111.97 2wd8 n VAL 103 Ca 0.00 -4.16 0.00 0.00 -0.01 0.00 0.00 64.34 60.18 2wd8 n VAL 103 Cb 0.62 -0.58 0.00 0.00 -0.91 0.00 0.00 33.84 32.97 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 -0.49 0.64 3.90 2.92 0.00 -1.26 -5.20 105.19 105.70 2wd8 n GLY 113 Ca 0.31 -2.25 -0.28 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.69 3.63 0.62 1.61 1.02 -1.26 -5.08 119.74 119.59 2wd8 s LYS 114 Ca 0.00 0.27 -0.17 0.00 0.02 0.00 0.00 55.97 56.09 2wd8 s LYS 114 Cb 0.00 -2.41 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 2wd8 s LYS 114 CO 0.00 -0.10 1.13 0.95 -0.92 0.00 0.00 175.35 176.41 2wd8 s THR 115 N -2.54 3.12 0.37 2.17 -4.23 -1.26 -4.83 115.64 108.44 2wd8 s THR 115 Ca 0.48 0.60 0.06 0.00 -1.18 0.00 0.00 61.69 61.65 2wd8 s THR 115 Cb -0.10 -3.15 0.20 0.00 1.34 0.00 0.00 72.50 70.79 2wd8 s THR 115 CO 0.38 -0.25 1.96 1.62 -0.54 0.00 0.00 174.62 177.79 2wd8 h VAL 116 N 0.50 1.16 -0.81 2.29 3.04 -1.98 0.12 116.25 120.57 2wd8 h VAL 116 Ca -0.48 -0.53 0.10 0.00 -1.01 0.00 0.00 66.70 64.77 2wd8 h VAL 116 Cb 1.26 0.76 -0.07 0.00 -2.01 0.00 0.00 31.29 31.23 2wd8 h VAL 116 CO 0.55 0.20 0.46 1.05 -1.01 0.00 0.00 177.57 178.81 2wd8 h GLU 117 N 0.52 0.74 -0.28 4.17 9.09 -1.99 0.17 114.58 127.00 2wd8 h GLU 117 Ca 0.12 -0.04 -0.11 0.00 0.05 0.00 0.00 59.36 59.38 2wd8 h GLU 117 Cb 0.16 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 27.09 2wd8 h GLU 117 CO -0.01 0.49 -0.27 1.15 0.05 0.00 0.00 179.01 180.43 2wd8 h THR 118 N 0.77 1.30 -0.96 -1.06 2.02 -1.62 -1.50 112.91 111.87 2wd8 h THR 118 Ca 0.39 -1.43 0.14 0.00 0.77 0.00 0.00 66.41 66.28 2wd8 h THR 118 Cb 0.37 1.59 -0.09 0.00 -1.74 0.00 0.00 68.15 68.29 2wd8 h THR 118 CO -0.25 0.46 0.58 1.56 0.37 0.00 0.00 175.52 178.23 2wd8 h GLN 119 N 0.41 0.84 -0.10 6.66 4.20 -0.15 -0.64 115.11 126.33 2wd8 h GLN 119 Ca 0.05 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2wd8 h GLN 119 Cb 0.83 -0.19 0.01 0.00 0.30 0.00 0.00 27.48 28.43 2wd8 h GLN 119 CO 0.07 0.55 -0.43 0.28 -0.67 0.00 0.00 178.83 178.63 2wd8 h VAL 120 N 0.86 1.38 -0.49 -0.54 2.07 -0.64 0.88 116.25 119.78 2wd8 h VAL 120 Ca 0.50 -1.78 0.10 0.00 0.82 0.00 0.00 66.70 66.34 2wd8 h VAL 120 Cb 0.59 2.21 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 2wd8 h VAL 120 CO -0.30 0.53 -0.14 0.00 0.02 0.00 0.00 177.57 177.67 2wd8 h ALA 121 N 0.47 0.29 0.04 1.67 0.00 -0.92 0.58 119.26 121.38 2wd8 h ALA 121 Ca -0.03 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2wd8 h ALA 121 Cb 1.08 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.27 2wd8 h ALA 121 CO 0.09 -0.46 -0.02 0.93 0.00 0.00 0.00 179.25 179.79 2wd8 h GLU 122 N -0.02 -0.05 0.00 0.00 5.08 -1.13 0.30 114.58 118.76 2wd8 h GLU 122 Ca 0.23 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 2wd8 h GLU 122 Cb 0.38 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.63 2wd8 h GLU 122 CO -0.51 0.60 -0.53 -0.07 -1.00 0.00 0.00 179.01 177.49 2wd8 h LEU 123 N -0.90 0.00 0.00 1.33 3.38 -0.81 -1.74 115.31 116.58 2wd8 h LEU 123 Ca -0.01 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.65 2wd8 h LEU 123 Cb 0.67 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2wd8 h LEU 123 CO 0.01 0.53 -2.10 -0.38 0.09 0.00 0.00 178.44 176.58 2wd8 n ILE 124 N -3.39 1.10 -0.00 1.22 2.08 0.00 -4.19 119.36 116.18 2wd8 n ILE 124 Ca 0.01 -0.35 -0.01 0.00 0.56 0.00 0.00 62.75 62.95 2wd8 n ILE 124 Cb 0.67 -1.45 -0.01 0.00 -0.75 0.00 0.00 39.64 38.10 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 0.44 -1.53 1.92 7.39 0.00 0.95 -1.19 103.07 111.05 2wd8 h GLY 125 Ca -0.47 0.67 -0.18 0.00 0.00 0.00 0.00 47.33 47.35 2wd8 h GLY 125 CO -0.18 -0.57 -0.84 0.00 0.00 0.00 0.00 176.54 174.95 2wd8 h THR 126 N -0.04 1.55 -0.09 4.70 1.03 -0.75 -0.42 112.91 118.90 2wd8 h THR 126 Ca 0.00 -2.73 -0.17 0.00 -0.01 0.00 0.00 66.41 63.50 2wd8 h THR 126 Cb 0.04 2.50 -0.01 0.00 -1.07 0.00 0.00 68.15 69.61 2wd8 h THR 126 CO -0.03 0.79 -0.66 0.78 -0.01 0.00 0.00 175.52 176.39 2wd8 h ASN 127 N 0.04 0.43 0.00 0.00 2.35 -1.62 -3.39 115.58 113.39 2wd8 h ASN 127 Ca -0.02 -0.26 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 2wd8 h ASN 127 Cb 1.47 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2wd8 h ASN 127 CO 0.12 0.97 -0.51 0.00 -1.65 0.00 0.00 177.43 176.35 2wd8 n ALA 128 N -2.50 2.39 -0.06 -0.83 0.00 -0.58 -4.72 120.51 114.21 2wd8 n ALA 128 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.25 2wd8 n ALA 128 Cb 0.66 0.26 -0.06 0.00 0.00 0.00 0.00 19.45 20.31 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 1.29 -0.20 0.00 1.08 -0.76 -2.23 117.51 116.70 2wd8 h ILE 129 Ca 0.00 -1.76 -0.00 0.00 -0.39 0.00 0.00 64.86 62.70 2wd8 h ILE 129 Cb 0.51 1.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.05 2wd8 h ILE 129 CO 0.00 0.56 0.11 0.00 -0.69 0.00 0.00 178.15 178.13 2wd8 h ALA 130 N 0.62 0.25 -0.65 1.87 0.00 -1.29 -0.96 119.26 119.11 2wd8 h ALA 130 Ca -0.01 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.95 2wd8 h ALA 130 Cb 1.17 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 2wd8 h ALA 130 CO 0.12 -0.21 0.43 -1.35 0.00 0.00 0.00 179.25 178.24 2wd8 h PRO 131 N 0.21 0.44 -0.36 0.00 0.11 -1.76 0.35 132.00 130.99 2wd8 h PRO 131 Ca 0.07 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 66.07 2wd8 h PRO 131 Cb 0.07 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 2wd8 h PRO 131 CO -0.01 0.29 -0.10 0.35 -0.21 0.00 0.00 178.00 178.32 2wd8 h PHE 132 N 0.46 0.80 -0.14 0.65 3.57 -0.91 -1.75 116.94 119.61 2wd8 h PHE 132 Ca 0.30 -0.18 -0.21 0.00 3.53 0.00 0.00 57.97 61.41 2wd8 h PHE 132 Cb 0.57 -0.19 0.01 0.00 2.79 0.00 0.00 35.95 39.12 2wd8 h PHE 132 CO -0.00 0.87 -0.75 -0.07 -2.23 0.00 0.00 178.31 176.13 2wd8 h LEU 133 N 0.50 0.83 -0.74 0.59 3.38 -0.52 -1.30 115.31 118.05 2wd8 h LEU 133 Ca 0.09 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 2wd8 h LEU 133 Cb 0.62 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2wd8 h LEU 133 CO 0.04 1.32 0.43 -0.07 0.09 0.00 0.00 178.44 180.24 2wd8 h LEU 134 N 0.48 0.91 0.28 1.67 3.38 -0.39 -1.93 115.31 119.70 2wd8 h LEU 134 Ca -0.04 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 2wd8 h LEU 134 Cb 1.36 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.88 2wd8 h LEU 134 CO 0.15 0.72 -0.15 0.74 0.09 0.00 0.00 178.44 179.99 2wd8 h THR 135 N 1.02 0.69 -0.33 0.22 2.02 -1.18 -0.08 112.91 115.26 2wd8 h THR 135 Ca 0.26 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.50 2wd8 h THR 135 Cb -0.00 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 67.02 2wd8 h THR 135 CO -0.05 0.00 -0.46 0.24 0.37 0.00 0.00 175.52 175.62 2wd8 h MET 136 N -0.40 -0.38 -0.71 6.66 2.86 -1.18 -1.50 114.93 120.29 2wd8 h MET 136 Ca -0.03 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2wd8 h MET 136 Cb 0.32 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 2wd8 h MET 136 CO 0.05 -0.25 0.43 0.77 1.06 0.00 0.00 176.91 178.97 2wd8 h SER 137 N -0.39 0.85 -0.01 1.22 0.02 -1.35 0.26 113.55 114.15 2wd8 h SER 137 Ca 0.11 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.03 2wd8 h SER 137 Cb 0.60 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 2wd8 h SER 137 CO -0.54 0.66 -0.30 0.15 -1.14 0.00 0.00 176.83 175.66 2wd8 h PHE 138 N 0.96 -0.83 -0.43 3.45 3.57 -0.85 -2.10 116.94 120.72 2wd8 h PHE 138 Ca 0.25 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 2wd8 h PHE 138 Cb -0.04 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 2wd8 h PHE 138 CO -0.01 -0.39 -0.28 0.00 -2.23 0.00 0.00 178.31 175.39 2wd8 h ALA 139 N 0.32 0.61 -0.97 2.41 0.00 -1.07 -2.79 119.26 117.77 2wd8 h ALA 139 Ca 0.07 -0.41 0.13 0.00 0.00 0.00 0.00 54.91 54.69 2wd8 h ALA 139 Cb 0.54 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 2wd8 h ALA 139 CO -0.27 0.64 0.59 0.37 0.00 0.00 0.00 179.25 180.59 2wd8 h GLN 140 N 0.78 0.87 0.00 0.00 5.75 -0.39 -2.52 115.11 119.59 2wd8 h GLN 140 Ca 0.09 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2wd8 h GLN 140 Cb 0.87 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.22 2wd8 h GLN 140 CO 0.08 0.58 0.00 0.00 -2.65 0.00 0.00 178.83 176.83 2wd8 h ARG 141 N 0.90 0.00 0.00 1.69 2.47 -1.10 -3.51 114.38 114.83 2wd8 h ARG 141 Ca 0.50 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 58.79 2wd8 h ARG 141 Cb 0.56 0.00 0.18 0.00 -1.65 0.00 0.00 29.97 29.06 2wd8 h ARG 141 CO -0.29 0.00 0.41 1.04 0.56 0.00 0.00 179.97 181.69 2wd8 n GLN 142 N -2.94 -1.37 0.00 0.04 1.13 -0.96 -5.08 117.38 108.20 2wd8 n GLN 142 Ca 0.03 -2.06 0.00 0.00 -1.94 0.00 0.00 57.00 53.03 2wd8 n GLN 142 Cb 0.41 -1.39 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 -3.90 0.00 -3.60 1.08 3.41 -1.26 -5.13 113.62 104.22 2wd8 n SER 152 Ca 0.17 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.50 2wd8 n SER 152 Cb 0.58 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.42 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 2.81 -0.12 4.04 2.47 -1.26 -5.11 114.94 117.76 2wd8 s ASN 153 Ca 0.00 -3.36 -0.19 0.00 0.42 0.00 0.00 52.86 49.73 2wd8 s ASN 153 Cb 0.00 -0.91 -0.04 0.00 -1.45 0.00 0.00 41.25 38.85 2wd8 s ASN 153 CO 0.00 -0.14 0.54 -0.76 -3.72 0.00 0.00 177.10 173.02 2wd8 s LEU 154 N -0.51 4.26 0.17 3.21 1.43 -1.26 -4.81 118.68 121.16 2wd8 s LEU 154 Ca 0.29 0.88 -0.18 0.00 -1.03 0.00 0.00 54.13 54.09 2wd8 s LEU 154 Cb -0.00 -2.79 0.03 0.00 0.03 0.00 0.00 46.19 43.46 2wd8 s LEU 154 CO -0.18 -0.07 0.50 -0.94 0.23 0.00 0.00 176.35 175.89 2wd8 s SER 155 N 0.77 -0.28 -0.02 2.29 1.04 -0.75 -1.60 113.70 115.15 2wd8 s SER 155 Ca 0.28 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.37 2wd8 s SER 155 Cb -0.16 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 2wd8 s SER 155 CO 0.12 -0.99 -0.18 -0.63 0.98 0.00 0.00 173.24 172.54 2wd8 s ILE 156 N -3.84 1.41 -0.09 -1.02 1.01 0.73 -2.37 121.20 117.04 2wd8 s ILE 156 Ca 0.07 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2wd8 s ILE 156 Cb -0.00 -1.18 0.02 0.00 0.01 0.00 0.00 42.46 41.31 2wd8 s ILE 156 CO -0.06 0.40 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 2wd8 s VAL 157 N -0.36 1.13 -0.12 2.92 1.01 -0.46 -0.93 120.40 123.58 2wd8 s VAL 157 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2wd8 s VAL 157 Cb -0.07 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2wd8 s VAL 157 CO -0.00 0.37 -0.02 0.20 0.00 0.00 0.00 175.10 175.64 2wd8 s ASN 158 N 1.09 4.97 -0.67 3.32 0.01 0.61 -0.96 114.94 123.31 2wd8 s ASN 158 Ca -0.06 -0.01 -0.24 0.00 -0.71 0.00 0.00 52.86 51.83 2wd8 s ASN 158 Cb -0.14 -1.60 0.05 0.00 0.41 0.00 0.00 41.25 39.97 2wd8 s ASN 158 CO -0.01 0.27 1.06 -0.76 -1.51 0.00 0.00 177.10 176.15 2wd8 s LEU 159 N -0.22 3.96 0.00 0.60 2.01 -0.79 -1.13 118.68 123.10 2wd8 s LEU 159 Ca 0.04 -0.73 0.00 0.00 0.01 0.00 0.00 54.13 53.45 2wd8 s LEU 159 Cb -0.13 -2.52 0.00 0.00 0.01 0.00 0.00 46.19 43.55 2wd8 s LEU 159 CO 0.02 -1.54 0.00 0.00 1.01 0.00 0.00 176.35 175.84 2wd8 s ASP 161 N -1.00 1.86 0.57 0.00 -1.08 -1.26 -3.91 116.67 111.85 2wd8 s ASP 161 Ca 0.00 -0.21 0.35 0.00 -0.52 0.00 0.00 52.55 52.17 2wd8 s ASP 161 Cb 0.00 -0.53 1.57 0.00 -1.46 0.00 0.00 42.92 42.50 2wd8 s ASP 161 CO 0.00 -0.20 2.06 0.00 0.52 0.00 0.00 175.17 177.55 2wd8 h ALA 162 N 8.29 1.01 -0.52 3.66 0.00 -1.48 -2.18 119.26 128.04 2wd8 h ALA 162 Ca -0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wd8 h ALA 162 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wd8 h ALA 162 CO 0.29 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 178.22 2wd8 n MET 163 N -3.11 3.72 -0.34 0.00 2.81 -1.26 -4.63 117.12 114.32 2wd8 n MET 163 Ca -0.00 -2.50 0.17 0.00 -1.81 0.00 0.00 57.70 53.56 2wd8 n MET 163 Cb 0.26 -1.95 0.37 0.00 -0.71 0.00 0.00 33.22 31.20 2wd8 n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 2wd8 h VAL 164 N 3.40 0.53 -0.21 2.03 -1.51 -1.79 -1.48 116.25 117.21 2wd8 h VAL 164 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 2wd8 h VAL 164 Cb 1.47 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.55 2wd8 h VAL 164 CO 0.29 0.10 0.00 0.47 -1.23 0.00 0.00 177.57 177.20 2wd8 n ASP 165 N -4.91 2.37 -3.44 4.19 8.00 -1.26 -4.30 116.55 117.20 2wd8 n ASP 165 Ca 0.26 -1.81 -0.26 0.00 0.71 0.00 0.00 54.79 53.68 2wd8 n ASP 165 Cb 0.73 -0.13 -0.09 0.00 -0.02 0.00 0.00 41.12 41.61 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 0.79 1.39 -2.16 -1.24 6.02 -0.56 -5.12 117.38 116.51 2wd8 n GLN 166 Ca 0.17 -3.91 -0.33 0.00 -0.01 0.00 0.00 57.00 52.92 2wd8 n GLN 166 Cb 0.45 -1.84 0.00 0.00 1.02 0.00 0.00 30.24 29.87 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 -1.39 3.42 0.39 -1.09 0.04 -1.24 -4.92 135.00 130.20 2wd8 s PRO 167 Ca 0.34 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.39 2wd8 s PRO 167 Cb 0.10 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2wd8 s PRO 167 CO -0.11 -0.73 0.99 0.00 0.04 0.00 0.00 177.00 177.19 2wd8 s MET 169 N -2.58 4.14 -0.08 0.00 1.75 -1.26 -2.58 119.30 118.69 2wd8 s MET 169 Ca 0.57 2.54 0.00 0.00 -1.25 0.00 0.00 55.69 57.55 2wd8 s MET 169 Cb -0.18 -3.00 0.00 0.00 2.84 0.00 0.00 34.83 34.50 2wd8 s MET 169 CO 0.22 -0.53 0.00 0.00 -0.65 0.00 0.00 175.02 174.06 2wd8 n ALA 170 N 1.09 -0.01 -1.51 4.11 0.00 -1.26 -4.91 120.51 118.01 2wd8 n ALA 170 Ca 0.03 0.01 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2wd8 n ALA 170 Cb 0.39 -0.69 0.14 0.00 0.00 0.00 0.00 19.45 19.29 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 -2.58 2.06 0.08 0.00 3.01 -1.07 0.23 117.46 119.20 2wd8 n PHE 171 Ca -0.01 -2.02 -0.12 0.00 1.01 0.00 0.00 57.45 56.31 2wd8 n PHE 171 Cb 0.22 -0.71 -0.05 0.00 -0.01 0.00 0.00 39.48 38.94 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 1.40 -0.52 -0.63 4.37 0.02 -1.81 0.18 113.55 116.56 2wd8 h SER 172 Ca 0.38 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 61.36 2wd8 h SER 172 Cb 1.65 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 64.37 2wd8 h SER 172 CO 0.78 -0.26 0.26 -0.07 -1.14 0.00 0.00 176.83 176.40 2wd8 h LEU 173 N -0.33 0.87 -0.43 5.07 3.38 -1.89 0.18 115.31 122.17 2wd8 h LEU 173 Ca 0.04 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 57.91 2wd8 h LEU 173 Cb 0.37 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2wd8 h LEU 173 CO -0.14 0.80 0.07 0.22 0.09 0.00 0.00 178.44 179.49 2wd8 h TYR 174 N 0.89 0.11 -0.50 1.13 3.20 -1.79 -1.94 116.97 118.08 2wd8 h TYR 174 Ca 0.21 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 2wd8 h TYR 174 Cb 0.20 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 2wd8 h TYR 174 CO 0.01 -0.01 -0.13 -0.97 -1.64 0.00 0.00 178.16 175.43 2wd8 h ASN 175 N 0.20 0.97 -0.48 -2.11 -0.73 -0.27 -2.41 115.58 110.75 2wd8 h ASN 175 Ca 0.21 -0.36 0.04 0.00 1.87 0.00 0.00 56.30 58.06 2wd8 h ASN 175 Cb 0.27 -0.26 -0.04 0.00 0.27 0.00 0.00 38.32 38.56 2wd8 h ASN 175 CO -0.29 1.11 0.24 0.24 -0.37 0.00 0.00 177.43 178.36 2wd8 h MET 176 N 0.82 0.46 -0.44 6.67 2.86 -0.49 -0.45 114.93 124.35 2wd8 h MET 176 Ca 0.12 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2wd8 h MET 176 Cb 0.69 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2wd8 h MET 176 CO 0.05 0.30 0.08 0.78 1.06 0.00 0.00 176.91 179.18 2wd8 h GLY 177 N 0.47 0.73 1.94 8.32 0.00 -1.12 0.40 103.07 113.81 2wd8 h GLY 177 Ca 0.21 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 2wd8 h GLY 177 CO -0.15 0.39 -0.71 0.50 0.00 0.00 0.00 176.54 176.57 2wd8 h LYS 178 N 0.65 0.06 0.00 4.80 1.79 -1.10 -1.98 116.57 120.79 2wd8 h LYS 178 Ca 0.14 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.57 2wd8 h LYS 178 Cb 0.29 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.95 2wd8 h LYS 178 CO 0.00 0.74 -0.00 0.45 -1.08 0.00 0.00 179.45 179.56 2wd8 h HIS 179 N 0.04 -0.01 -0.96 -1.35 3.86 -0.72 -2.97 115.15 113.05 2wd8 h HIS 179 Ca -0.01 -0.00 0.28 0.00 -1.16 0.00 0.00 60.37 59.48 2wd8 h HIS 179 Cb 1.26 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.59 2wd8 h HIS 179 CO 0.01 0.28 0.45 0.00 0.86 0.00 0.00 177.93 179.53 2wd8 h ALA 180 N 0.70 1.69 -0.58 2.45 0.00 -0.85 -2.10 119.26 120.58 2wd8 h ALA 180 Ca -0.00 0.20 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 2wd8 h ALA 180 Cb 0.29 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2wd8 h ALA 180 CO 0.00 -0.50 0.02 1.25 0.00 0.00 0.00 179.25 180.01 2wd8 h LEU 181 N 0.31 0.96 -0.42 0.00 5.85 -1.26 -0.29 115.31 120.47 2wd8 h LEU 181 Ca 0.66 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 59.14 2wd8 h LEU 181 Cb 1.43 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 2wd8 h LEU 181 CO -0.61 1.01 0.26 0.58 -0.34 0.00 0.00 178.44 179.33 2wd8 h VAL 182 N 0.91 1.07 -0.61 1.05 2.07 -1.24 0.44 116.25 119.94 2wd8 h VAL 182 Ca 0.17 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2wd8 h VAL 182 Cb 0.51 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 2wd8 h VAL 182 CO 0.02 0.10 0.37 1.23 0.02 0.00 0.00 177.57 179.31 2wd8 h GLY 183 N 0.52 0.87 0.97 2.17 0.00 -0.90 -1.75 103.07 104.95 2wd8 h GLY 183 Ca 0.16 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.21 2wd8 h GLY 183 CO -0.06 0.23 0.19 -2.00 0.00 0.00 0.00 176.54 174.90 2wd8 h LEU 184 N 0.72 0.39 -0.31 3.11 5.85 -0.76 0.18 115.31 124.48 2wd8 h LEU 184 Ca 0.25 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2wd8 h LEU 184 Cb 0.04 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2wd8 h LEU 184 CO -0.11 0.33 -0.02 0.74 -0.34 0.00 0.00 178.44 179.04 2wd8 h THR 185 N 0.41 0.74 -0.09 1.05 2.02 -0.59 0.31 112.91 116.77 2wd8 h THR 185 Ca 0.11 -0.02 -0.09 0.00 0.77 0.00 0.00 66.41 67.19 2wd8 h THR 185 Cb 0.02 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2wd8 h THR 185 CO -0.02 0.01 -0.28 1.56 0.37 0.00 0.00 175.52 177.16 2wd8 h GLN 186 N 0.06 0.34 -0.07 6.66 4.20 -1.15 0.02 115.11 125.17 2wd8 h GLN 186 Ca 0.15 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2wd8 h GLN 186 Cb 0.21 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 2wd8 h GLN 186 CO -0.28 0.88 0.04 0.77 -0.67 0.00 0.00 178.83 179.58 2wd8 h SER 187 N -0.13 0.07 -0.53 1.46 0.02 -0.56 -2.54 113.55 111.34 2wd8 h SER 187 Ca -0.01 -0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.83 2wd8 h SER 187 Cb 0.91 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2wd8 h SER 187 CO 0.06 0.05 -0.08 0.00 -1.14 0.00 0.00 176.83 175.72 2wd8 h ALA 188 N 1.03 0.82 -0.57 3.77 0.00 -0.39 -0.62 119.26 123.30 2wd8 h ALA 188 Ca 0.03 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.71 2wd8 h ALA 188 Cb -0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.49 2wd8 h ALA 188 CO -0.01 0.66 0.06 0.00 0.00 0.00 0.00 179.25 179.96 2wd8 h ALA 189 N 0.99 0.61 0.25 0.00 0.00 -0.91 0.97 119.26 121.17 2wd8 h ALA 189 Ca 0.15 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2wd8 h ALA 189 Cb 0.64 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wd8 h ALA 189 CO 0.04 -0.35 -0.12 1.25 0.00 0.00 0.00 179.25 180.07 2wd8 h LEU 190 N 0.18 -0.28 -0.94 0.00 5.85 -1.20 -2.65 115.31 116.27 2wd8 h LEU 190 Ca 0.30 -0.19 -0.09 0.00 0.84 0.00 0.00 57.88 58.74 2wd8 h LEU 190 Cb 0.45 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2wd8 h LEU 190 CO -0.43 0.05 -0.42 -0.08 -0.34 0.00 0.00 178.44 177.22 2wd8 h GLU 191 N -0.64 0.00 -0.00 1.25 4.81 -0.88 -3.22 114.58 115.90 2wd8 h GLU 191 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wd8 h GLU 191 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 2wd8 h GLU 191 CO 0.06 0.42 -0.81 1.28 -0.73 0.00 0.00 179.01 179.22 2wd8 n LEU 192 N -3.62 1.21 -0.28 1.64 4.77 0.32 -4.44 117.00 116.60 2wd8 n LEU 192 Ca -0.01 -0.57 0.06 0.00 -0.03 0.00 0.00 56.01 55.46 2wd8 n LEU 192 Cb 0.52 0.00 0.20 0.00 -2.33 0.00 0.00 43.42 41.81 2wd8 n LEU 192 CO 0.38 0.27 1.08 0.00 -1.33 0.00 0.00 177.39 177.78 2wd8 h ALA 193 N 3.05 1.18 -0.02 -1.18 0.00 -1.48 -0.24 119.26 120.56 2wd8 h ALA 193 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2wd8 h ALA 193 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2wd8 h ALA 193 CO 0.00 -0.11 0.08 -1.35 0.00 0.00 0.00 179.25 177.87 2wd8 h PRO 194 N 0.58 0.00 -0.08 0.00 0.11 -1.79 0.30 132.00 131.12 2wd8 h PRO 194 Ca 0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.54 2wd8 h PRO 194 Cb 0.59 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2wd8 h PRO 194 CO -0.35 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.10 2wd8 n TYR 195 N -3.27 0.10 -1.30 0.65 4.02 -0.14 -4.91 117.16 112.31 2wd8 n TYR 195 Ca -0.02 -0.05 -0.10 0.00 -0.01 0.00 0.00 57.90 57.71 2wd8 n TYR 195 Cb 0.15 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.43 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 1.11 1.17 3.60 2.72 0.00 0.11 -5.00 105.19 108.89 2wd8 n GLY 196 Ca 0.18 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.32 5.04 0.14 -0.61 1.01 -0.97 -4.26 121.20 119.22 2wd8 s ILE 197 Ca 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 60.65 61.28 2wd8 s ILE 197 Cb 0.00 -3.87 -0.07 0.00 0.01 0.00 0.00 42.46 38.53 2wd8 s ILE 197 CO 0.00 -0.00 0.52 -0.13 0.00 0.00 0.00 174.94 175.33 2wd8 s ARG 198 N 2.36 3.93 -0.10 2.79 0.52 -0.63 -3.66 118.95 124.16 2wd8 s ARG 198 Ca 0.21 0.42 -0.02 0.00 -0.52 0.00 0.00 55.73 55.81 2wd8 s ARG 198 Cb -0.15 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.44 2wd8 s ARG 198 CO 0.10 0.47 0.03 0.08 0.02 0.00 0.00 175.30 176.01 2wd8 s VAL 199 N -1.49 0.23 0.24 3.52 1.01 -1.26 -0.19 120.40 122.46 2wd8 s VAL 199 Ca 0.38 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.40 2wd8 s VAL 199 Cb -0.14 -0.54 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 2wd8 s VAL 199 CO 0.19 0.08 0.10 0.20 0.00 0.00 0.00 175.10 175.68 2wd8 s ASN 200 N 2.02 0.94 0.10 3.32 0.01 -0.11 -0.07 114.94 121.16 2wd8 s ASN 200 Ca 0.04 -1.38 0.06 0.00 -0.71 0.00 0.00 52.86 50.87 2wd8 s ASN 200 Cb -0.14 0.21 -0.03 0.00 0.41 0.00 0.00 41.25 41.70 2wd8 s ASN 200 CO -0.06 -0.75 -0.16 -0.83 -1.51 0.00 0.00 177.10 173.79 2wd8 s GLY 201 N -3.27 1.07 -0.12 0.66 0.00 0.66 -0.28 107.32 106.03 2wd8 s GLY 201 Ca 0.38 -1.20 0.02 0.00 0.00 0.00 0.00 44.72 43.92 2wd8 s GLY 201 CO 0.13 -1.23 -0.20 0.14 0.00 0.00 0.00 173.10 171.94 2wd8 s VAL 202 N -1.61 1.82 -0.42 1.40 1.01 -0.29 -1.17 120.40 121.15 2wd8 s VAL 202 Ca 0.05 -0.85 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2wd8 s VAL 202 Cb -0.08 -1.62 0.11 0.00 0.00 0.00 0.00 36.38 34.80 2wd8 s VAL 202 CO 0.03 0.50 0.15 0.00 0.00 0.00 0.00 175.10 175.79 2wd8 s ALA 203 N 0.78 2.98 0.76 5.51 0.00 -0.18 -0.08 121.76 131.53 2wd8 s ALA 203 Ca -0.09 -2.82 -0.12 0.00 0.00 0.00 0.00 51.96 48.92 2wd8 s ALA 203 Cb -0.16 -2.03 0.05 0.00 0.00 0.00 0.00 23.12 20.98 2wd8 s ALA 203 CO 0.00 -1.84 1.12 -2.14 0.00 0.00 0.00 175.76 172.90 2wd8 s PRO 204 N 0.40 2.19 0.00 0.00 0.02 -1.25 -1.15 135.00 135.21 2wd8 s PRO 204 Ca 0.14 1.37 0.00 0.00 0.02 0.00 0.00 61.00 62.53 2wd8 s PRO 204 Cb -0.22 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2wd8 s PRO 204 CO -0.05 -1.72 0.00 0.41 -0.33 0.00 0.00 177.00 175.31 2wd8 n GLY 205 N -0.57 0.77 3.76 0.52 0.00 -1.08 -1.77 105.19 106.83 2wd8 n GLY 205 Ca 0.10 0.00 -0.35 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 0.19 5.43 0.00 1.61 1.01 -1.26 -4.85 120.40 122.53 2wd8 s VAL 206 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.18 2wd8 s VAL 206 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2wd8 s VAL 206 CO 0.00 0.48 0.00 -0.24 0.00 0.00 0.00 175.10 175.34 2wd8 n SER 207 N 3.17 0.38 -4.55 3.32 2.88 -1.26 -2.25 113.62 115.32 2wd8 n SER 207 Ca -0.17 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 56.95 2wd8 n SER 207 Cb 0.53 0.00 -0.04 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 2.59 -4.76 2.46 4.32 -1.26 -4.72 117.00 115.63 2wd8 n LEU 208 Ca 0.00 -0.03 -0.41 0.00 -0.02 0.00 0.00 56.01 55.55 2wd8 n LEU 208 Cb 0.00 -1.49 -0.02 0.00 -1.62 0.00 0.00 43.42 40.29 2wd8 n LEU 208 CO 0.00 -1.02 1.06 -0.76 -1.22 0.00 0.00 177.39 175.45 2wd8 s LEU 209 N 9.63 4.39 -0.07 2.23 1.43 -1.26 -4.89 118.68 130.15 2wd8 s LEU 209 Ca 1.03 2.72 -0.38 0.00 -1.03 0.00 0.00 54.13 56.48 2wd8 s LEU 209 Cb -0.41 -3.64 -0.16 0.00 0.03 0.00 0.00 46.19 42.02 2wd8 s LEU 209 CO 0.35 -0.66 1.57 -2.65 0.23 0.00 0.00 176.35 175.19 2wd8 n PRO 210 N 1.52 1.34 0.31 1.29 -0.02 -1.26 -4.83 135.00 133.35 2wd8 n PRO 210 Ca 0.03 0.49 0.19 0.00 -2.02 0.00 0.00 63.50 62.19 2wd8 n PRO 210 Cb 0.41 -2.18 1.03 0.00 -0.02 0.00 0.00 33.50 32.74 2wd8 n PRO 210 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2wd8 h VAL 211 N 4.31 0.27 -0.45 -1.45 -1.51 -1.94 0.99 116.25 116.47 2wd8 h VAL 211 Ca -0.47 -0.08 0.08 0.00 -1.23 0.00 0.00 66.70 65.00 2wd8 h VAL 211 Cb 1.32 1.06 -0.07 0.00 -2.13 0.00 0.00 31.29 31.47 2wd8 h VAL 211 CO 0.88 0.01 0.04 0.00 -1.23 0.00 0.00 177.57 177.27 2wd8 h ALA 212 N 1.99 0.45 -2.25 5.19 0.00 -2.02 -3.43 119.26 119.19 2wd8 h ALA 212 Ca -0.00 0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.52 2wd8 h ALA 212 Cb 0.06 0.18 0.20 0.00 0.00 0.00 0.00 17.79 18.23 2wd8 h ALA 212 CO 0.00 -0.36 0.19 1.41 0.00 0.00 0.00 179.25 180.49 2wd8 s MET 213 N -6.16 0.69 0.00 0.00 0.00 0.34 -5.08 119.30 109.09 2wd8 s MET 213 Ca -0.13 1.39 0.00 0.00 0.00 0.00 0.00 55.69 56.94 2wd8 s MET 213 Cb 0.15 -1.70 0.00 0.00 0.00 0.00 0.00 34.83 33.28 2wd8 s MET 213 CO 0.72 -2.80 0.00 0.41 0.00 0.00 0.00 175.02 173.35 2wd8 n GLY 214 N 0.24 1.03 0.41 2.11 0.00 -1.26 -4.94 105.19 102.78 2wd8 n GLY 214 Ca 0.10 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2wd8 n GLY 214 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wd8 n GLU 215 N 0.00 0.00 -0.33 1.61 4.07 -1.26 -4.31 120.64 120.42 2wd8 n GLU 215 Ca 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 57.16 57.16 2wd8 n GLU 215 Cb 0.00 -0.64 0.22 0.00 -0.06 0.00 0.00 31.44 30.97 2wd8 n GLU 215 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 2wd8 h GLU 216 N 0.00 0.82 -0.17 5.31 4.81 -2.00 -1.13 114.58 122.21 2wd8 h GLU 216 Ca 0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2wd8 h GLU 216 Cb 0.56 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.75 2wd8 h GLU 216 CO 0.00 0.54 -0.20 1.49 -0.73 0.00 0.00 179.01 180.11 2wd8 h GLU 217 N 0.84 0.44 -0.96 1.92 4.22 -2.00 -3.13 114.58 115.92 2wd8 h GLU 217 Ca 0.47 -0.24 0.12 0.00 0.08 0.00 0.00 59.36 59.79 2wd8 h GLU 217 Cb 0.53 0.01 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 2wd8 h GLU 217 CO -0.29 0.82 0.61 0.87 -2.18 0.00 0.00 179.01 178.84 2wd8 h LYS 218 N 0.09 0.88 -0.04 1.92 1.57 -1.53 -0.57 116.57 118.88 2wd8 h LYS 218 Ca 0.02 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 2wd8 h LYS 218 Cb 0.75 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 2wd8 h LYS 218 CO 0.05 0.58 -0.69 -0.44 -0.57 0.00 0.00 179.45 178.38 2wd8 h ASP 219 N 0.90 0.24 -0.68 0.86 3.32 -1.31 -1.79 116.42 117.97 2wd8 h ASP 219 Ca 0.47 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.36 2wd8 h ASP 219 Cb 0.53 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.97 2wd8 h ASP 219 CO -0.23 0.86 0.41 0.11 -1.72 0.00 0.00 179.24 178.67 2wd8 h LYS 220 N 0.14 0.93 0.03 3.56 1.57 -1.05 0.27 116.57 122.01 2wd8 h LYS 220 Ca -0.02 -0.08 -0.23 0.00 -1.87 0.00 0.00 60.65 58.46 2wd8 h LYS 220 Cb 1.23 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.35 2wd8 h LYS 220 CO 0.11 0.65 -0.99 -1.49 -0.57 0.00 0.00 179.45 177.15 2wd8 h TRP 221 N 0.94 0.50 -0.33 -1.35 4.06 -1.45 -3.34 115.95 114.98 2wd8 h TRP 221 Ca 0.25 -0.29 -0.06 0.00 2.06 0.00 0.00 58.89 60.84 2wd8 h TRP 221 Cb -0.04 -0.05 -0.01 0.00 -1.00 0.00 0.00 29.16 28.06 2wd8 h TRP 221 CO 0.00 1.13 -0.03 0.00 -3.56 0.00 0.00 178.44 175.98 2wd8 h ARG 222 N 0.16 0.60 0.00 0.49 3.08 -0.51 -3.08 114.38 115.12 2wd8 h ARG 222 Ca -0.08 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.76 2wd8 h ARG 222 Cb 1.65 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.65 2wd8 h ARG 222 CO 0.16 0.75 0.00 0.54 -1.07 0.00 0.00 179.97 180.36 2wd8 n ARG 223 N -4.49 0.07 0.16 0.04 1.74 0.86 -2.36 116.66 112.68 2wd8 n ARG 223 Ca -0.02 0.49 0.05 0.00 -0.77 0.00 0.00 57.85 57.60 2wd8 n ARG 223 Cb 0.29 -1.69 0.08 0.00 -1.02 0.00 0.00 32.46 30.13 2wd8 n ARG 223 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2wd8 h LYS 224 N 0.00 0.00 -6.30 5.56 1.57 -1.68 -3.45 116.57 112.28 2wd8 h LYS 224 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 2wd8 h LYS 224 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2wd8 h LYS 224 CO 0.00 0.38 1.14 0.08 -0.57 0.00 0.00 179.45 180.48 2wd8 s VAL 225 N -3.06 3.69 0.25 0.50 1.01 -0.99 -4.84 120.40 116.96 2wd8 s VAL 225 Ca 0.04 0.77 -0.04 0.00 0.00 0.00 0.00 61.98 62.75 2wd8 s VAL 225 Cb 0.07 -3.74 0.24 0.00 0.00 0.00 0.00 36.38 32.96 2wd8 s VAL 225 CO 0.72 -0.34 1.87 -0.65 0.00 0.00 0.00 175.10 176.70 2wd8 h PRO 226 N 10.94 1.04 -5.18 2.72 0.11 -1.83 -2.14 132.00 137.66 2wd8 h PRO 226 Ca -0.33 -0.06 -0.69 0.00 0.11 0.00 0.00 66.00 65.02 2wd8 h PRO 226 Cb 1.15 -0.23 -0.16 0.00 0.11 0.00 0.00 31.00 31.87 2wd8 h PRO 226 CO 1.01 0.69 1.24 -1.17 -0.21 0.00 0.00 178.00 179.56 2wd8 s LEU 227 N -10.19 4.71 0.00 2.35 2.96 0.40 -4.25 118.68 114.67 2wd8 s LEU 227 Ca -0.13 -2.31 0.00 0.00 -0.22 0.00 0.00 54.13 51.48 2wd8 s LEU 227 Cb 0.19 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.44 2wd8 s LEU 227 CO 0.80 -1.04 0.00 0.61 -1.32 0.00 0.00 176.35 175.41 2wd8 n GLY 228 N 5.24 0.74 4.54 7.98 0.00 -1.26 -4.28 105.19 118.15 2wd8 n GLY 228 Ca 0.32 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.49 -0.72 -4.22 1.61 5.12 -0.80 -4.94 116.66 110.21 2wd8 n ARG 229 Ca 0.00 0.14 -0.13 0.00 -1.93 0.00 0.00 57.85 55.93 2wd8 n ARG 229 Cb 0.00 -4.69 -0.10 0.00 -1.16 0.00 0.00 32.46 26.51 2wd8 n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 2wd8 s ARG 230 N -7.25 0.99 0.65 5.56 1.70 -1.24 -4.04 118.95 115.32 2wd8 s ARG 230 Ca 0.81 -1.43 -0.11 0.00 -0.47 0.00 0.00 55.73 54.53 2wd8 s ARG 230 Cb -0.47 -0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 33.51 2wd8 s ARG 230 CO 1.03 -0.01 1.05 -1.83 -1.08 0.00 0.00 175.30 174.45 2wd8 s GLU 231 N -3.82 3.24 0.21 3.89 1.03 -1.26 -4.85 118.70 117.13 2wd8 s GLU 231 Ca 0.17 0.90 -0.30 0.00 0.03 0.00 0.00 54.97 55.76 2wd8 s GLU 231 Cb 0.04 -2.03 -0.09 0.00 -0.80 0.00 0.00 34.13 31.25 2wd8 s GLU 231 CO -0.01 -0.86 1.42 0.00 -1.33 0.00 0.00 175.26 174.49 2wd8 s ALA 232 N -3.03 3.62 0.82 -0.84 0.00 -0.95 -5.02 121.76 116.35 2wd8 s ALA 232 Ca 0.57 1.26 -0.10 0.00 0.00 0.00 0.00 51.96 53.69 2wd8 s ALA 232 Cb -0.13 -3.55 0.08 0.00 0.00 0.00 0.00 23.12 19.53 2wd8 s ALA 232 CO 0.52 -0.68 1.10 -1.54 0.00 0.00 0.00 175.76 175.16 2wd8 s SER 233 N 0.56 4.04 0.45 0.00 1.04 -1.26 -4.26 113.70 114.27 2wd8 s SER 233 Ca 0.61 1.89 0.11 0.00 0.48 0.00 0.00 55.95 59.04 2wd8 s SER 233 Cb -0.40 -2.51 1.00 0.00 0.10 0.00 0.00 66.02 64.20 2wd8 s SER 233 CO 0.39 -2.34 2.06 0.00 0.98 0.00 0.00 173.24 174.32 2wd8 h ALA 234 N -1.34 1.77 -0.02 5.32 0.00 -1.96 -2.96 119.26 120.06 2wd8 h ALA 234 Ca -0.44 -0.07 -0.19 0.00 0.00 0.00 0.00 54.91 54.21 2wd8 h ALA 234 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2wd8 h ALA 234 CO 0.49 0.19 -0.82 0.93 0.00 0.00 0.00 179.25 180.03 2wd8 h GLU 235 N 0.24 0.28 -0.81 0.00 3.07 -1.92 -1.25 114.58 114.19 2wd8 h GLU 235 Ca 0.06 -0.27 0.02 0.00 -0.50 0.00 0.00 59.36 58.67 2wd8 h GLU 235 Cb 0.08 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 28.02 2wd8 h GLU 235 CO -0.00 0.96 0.52 1.96 -1.40 0.00 0.00 179.01 181.05 2wd8 h GLN 236 N 0.17 1.01 -0.05 2.33 4.20 -1.90 -0.73 115.11 120.13 2wd8 h GLN 236 Ca -0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2wd8 h GLN 236 Cb 1.43 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2wd8 h GLN 236 CO 0.13 0.67 0.03 0.82 -0.67 0.00 0.00 178.83 179.81 2wd8 h ILE 237 N 1.04 1.02 -0.82 2.54 1.08 -1.37 -3.07 117.51 117.93 2wd8 h ILE 237 Ca 0.31 -0.03 0.03 0.00 -0.39 0.00 0.00 64.86 64.78 2wd8 h ILE 237 Cb -0.04 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 34.62 2wd8 h ILE 237 CO -0.10 0.01 0.54 0.00 -0.69 0.00 0.00 178.15 177.92 2wd8 h ALA 238 N 1.01 1.48 -0.97 1.87 0.00 -0.94 -2.28 119.26 119.43 2wd8 h ALA 238 Ca 0.02 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.08 2wd8 h ALA 238 Cb -0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 17.79 17.40 2wd8 h ALA 238 CO -0.00 0.45 0.61 -0.44 0.00 0.00 0.00 179.25 179.87 2wd8 h ASP 239 N 1.03 0.65 0.30 0.00 3.32 -1.04 0.12 116.42 120.80 2wd8 h ASP 239 Ca 0.32 0.07 -0.20 0.00 0.02 0.00 0.00 57.03 57.24 2wd8 h ASP 239 Cb -0.00 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2wd8 h ASP 239 CO -0.09 0.24 -0.81 0.00 -1.72 0.00 0.00 179.24 176.87 2wd8 h ALA 240 N 1.62 0.51 -0.27 3.45 0.00 -1.44 -1.87 119.26 121.26 2wd8 h ALA 240 Ca 0.54 -0.65 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2wd8 h ALA 240 Cb 1.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2wd8 h ALA 240 CO -0.29 0.79 0.04 0.28 0.00 0.00 0.00 179.25 180.06 2wd8 h VAL 241 N 0.25 1.24 -0.51 0.00 2.07 -1.01 -2.35 116.25 115.93 2wd8 h VAL 241 Ca -0.05 -0.81 0.05 0.00 0.82 0.00 0.00 66.70 66.71 2wd8 h VAL 241 Cb 1.41 1.24 -0.04 0.00 -1.52 0.00 0.00 31.29 32.37 2wd8 h VAL 241 CO 0.14 0.26 0.26 0.40 0.02 0.00 0.00 177.57 178.64 2wd8 h ILE 242 N 0.27 0.95 0.23 4.57 1.08 -0.72 -1.79 117.51 122.09 2wd8 h ILE 242 Ca 0.08 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2wd8 h ILE 242 Cb 0.35 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.49 2wd8 h ILE 242 CO 0.01 0.09 -0.25 0.15 -0.69 0.00 0.00 178.15 177.46 2wd8 h PHE 243 N 0.50 -0.65 -0.32 1.37 3.57 -1.31 -2.06 116.94 118.04 2wd8 h PHE 243 Ca 0.23 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2wd8 h PHE 243 Cb 0.14 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 2wd8 h PHE 243 CO -0.10 -0.36 0.21 -0.07 -2.23 0.00 0.00 178.31 175.76 2wd8 h LEU 244 N -0.51 0.32 0.00 0.59 3.38 -0.89 -1.95 115.31 116.24 2wd8 h LEU 244 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wd8 h LEU 244 Cb 0.48 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2wd8 h LEU 244 CO -0.07 0.23 -0.23 -0.37 0.09 0.00 0.00 178.44 178.09 2wd8 h VAL 245 N 0.37 0.00 -4.24 1.22 -1.51 -1.17 -3.44 116.25 107.49 2wd8 h VAL 245 Ca 0.12 -0.75 -0.49 0.00 -1.23 0.00 0.00 66.70 64.35 2wd8 h VAL 245 Cb 0.04 1.62 0.12 0.00 -2.13 0.00 0.00 31.29 30.94 2wd8 h VAL 245 CO -0.03 0.00 0.31 -0.94 -1.23 0.00 0.00 177.57 175.69 2wd8 s SER 246 N -5.24 4.32 0.20 4.19 1.04 -0.73 -4.94 113.70 112.53 2wd8 s SER 246 Ca 0.07 1.44 0.15 0.00 0.48 0.00 0.00 55.95 58.09 2wd8 s SER 246 Cb 0.09 -2.17 0.75 0.00 0.10 0.00 0.00 66.02 64.79 2wd8 s SER 246 CO 0.67 -2.10 1.45 0.61 0.98 0.00 0.00 173.24 174.85 2wd8 n GLY 247 N -1.74 -0.80 0.00 7.32 0.00 -1.26 -1.88 105.19 106.83 2wd8 n GLY 247 Ca 0.07 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2wd8 n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wd8 n SER 248 N -1.97 0.00 -0.62 1.61 7.64 -1.26 -3.67 113.62 115.34 2wd8 n SER 248 Ca -0.00 0.13 0.06 0.00 1.01 0.00 0.00 58.87 60.07 2wd8 n SER 248 Cb 0.05 -0.36 0.15 0.00 -1.01 0.00 0.00 64.21 63.05 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 -1.36 3.06 0.35 -0.43 0.00 -0.79 -4.88 120.51 116.46 2wd8 n ALA 249 Ca 0.09 -2.87 0.13 0.00 0.00 0.00 0.00 53.44 50.79 2wd8 n ALA 249 Cb 0.21 -0.43 0.56 0.00 0.00 0.00 0.00 19.45 19.80 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 0.73 0.00 -0.09 0.00 4.20 -1.69 -0.52 115.11 117.74 2wd8 h GLN 250 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 2wd8 h GLN 250 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2wd8 h GLN 250 CO 0.02 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.16 2wd8 n TYR 251 N -2.43 0.08 -3.45 2.96 9.36 -1.26 -4.94 117.16 117.49 2wd8 n TYR 251 Ca 0.01 -0.04 -0.41 0.00 3.32 0.00 0.00 57.90 60.78 2wd8 n TYR 251 Cb 0.22 0.00 -0.10 0.00 -0.63 0.00 0.00 39.34 38.83 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 -1.92 5.21 -0.06 2.97 1.01 -0.20 -5.05 121.20 123.16 2wd8 s ILE 252 Ca 0.31 -0.13 -0.11 0.00 0.00 0.00 0.00 60.65 60.73 2wd8 s ILE 252 Cb 0.20 -3.81 0.02 0.00 0.01 0.00 0.00 42.46 38.89 2wd8 s ILE 252 CO 0.31 -0.10 0.27 0.28 0.00 0.00 0.00 174.94 175.70 2wd8 s THR 253 N 1.90 0.03 0.00 2.92 -1.32 -1.26 -4.66 115.64 113.24 2wd8 s THR 253 Ca 0.09 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 2wd8 s THR 253 Cb -0.17 -0.47 0.00 0.00 -1.51 0.00 0.00 72.50 70.35 2wd8 s THR 253 CO 0.11 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 2wd8 n GLY 254 N 2.21 0.71 3.86 6.08 0.00 0.90 -4.96 105.19 113.98 2wd8 n GLY 254 Ca -0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.39 6.63 -0.28 1.61 0.01 -1.26 -4.83 113.70 113.19 2wd8 s SER 255 Ca 0.00 0.75 0.01 0.00 1.31 0.00 0.00 55.95 58.02 2wd8 s SER 255 Cb 0.00 -2.17 0.06 0.00 0.21 0.00 0.00 66.02 64.12 2wd8 s SER 255 CO 0.00 0.34 -0.07 -0.63 0.41 0.00 0.00 173.24 173.29 2wd8 s ILE 256 N -1.11 2.49 -0.32 1.44 1.01 -1.26 -0.25 121.20 123.21 2wd8 s ILE 256 Ca 0.22 -1.53 -0.22 0.00 0.00 0.00 0.00 60.65 59.12 2wd8 s ILE 256 Cb -0.15 -2.45 -0.00 0.00 0.01 0.00 0.00 42.46 39.87 2wd8 s ILE 256 CO 0.11 -0.06 0.71 -0.63 0.00 0.00 0.00 174.94 175.07 2wd8 s ILE 257 N 1.16 4.85 0.11 2.92 1.01 -0.31 -4.91 121.20 126.03 2wd8 s ILE 257 Ca -0.07 0.95 -0.30 0.00 0.00 0.00 0.00 60.65 61.22 2wd8 s ILE 257 Cb -0.20 -4.09 -0.07 0.00 0.01 0.00 0.00 42.46 38.12 2wd8 s ILE 257 CO -0.03 -0.24 1.20 -0.54 0.00 0.00 0.00 174.94 175.33 2wd8 s LYS 258 N 2.81 4.46 -0.66 2.79 1.02 -1.26 -1.01 119.74 127.89 2wd8 s LYS 258 Ca 0.29 1.80 0.05 0.00 0.02 0.00 0.00 55.97 58.13 2wd8 s LYS 258 Cb -0.14 -3.31 0.19 0.00 -0.52 0.00 0.00 37.83 34.04 2wd8 s LYS 258 CO 0.13 -0.19 0.53 0.28 -0.92 0.00 0.00 175.35 175.18 2wd8 n VAL 259 N 3.43 1.45 -0.54 3.17 0.31 -0.30 -4.89 118.33 120.96 2wd8 n VAL 259 Ca 0.07 -4.78 0.00 0.00 -0.01 0.00 0.00 64.34 59.62 2wd8 n VAL 259 Cb 0.46 -2.11 0.00 0.00 -0.91 0.00 0.00 33.84 31.27 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 1.80 0.74 -1.56 4.52 5.75 -1.26 -2.64 116.55 123.91 2wd8 n ASP 260 Ca 0.23 -1.29 -0.20 0.00 -0.01 0.00 0.00 54.79 53.52 2wd8 n ASP 260 Cb 0.38 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.38 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 -0.14 1.86 0.79 6.12 0.00 -1.26 -1.41 105.19 111.15 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 -0.35 0.68 0.18 -0.02 0.00 -1.26 -0.45 105.19 103.96 2wd8 n GLY 262 Ca -0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.41 -2.97 0.99 5.85 -1.56 -2.15 115.31 115.05 2wd8 h LEU 263 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wd8 h LEU 263 Cb 0.00 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.26 2wd8 h LEU 263 CO 0.00 -0.16 0.00 0.77 -0.34 0.00 0.00 178.44 178.71 2wd8 h SER 264 N -0.09 0.00 1.10 1.25 4.64 -1.86 -0.94 113.55 117.65 2wd8 h SER 264 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2wd8 h SER 264 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 2wd8 h SER 264 CO -0.31 0.00 -0.33 0.18 -0.87 0.00 0.00 176.83 175.50 2wd8 n LEU 265 N -3.11 0.69 -4.67 5.97 4.77 -0.81 -4.85 117.00 114.99 2wd8 n LEU 265 Ca -0.03 0.37 -0.43 0.00 -0.03 0.00 0.00 56.01 55.89 2wd8 n LEU 265 Cb 0.07 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 40.88 2wd8 n LEU 265 CO 0.20 -0.09 0.95 -0.69 -1.33 0.00 0.00 177.39 176.43 2wd8 s VAL 266 N -3.12 4.50 0.96 4.08 1.01 -0.36 -5.03 120.40 122.43 2wd8 s VAL 266 Ca 0.09 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 63.74 2wd8 s VAL 266 Cb 0.14 -4.16 0.16 0.00 0.00 0.00 0.00 36.38 32.52 2wd8 s VAL 266 CO 0.66 -0.09 1.13 -1.38 0.00 0.00 0.00 175.10 175.41 2wd8 s HIS 267 N 2.83 2.27 -1.94 5.22 -3.43 -1.26 -5.08 115.29 113.89 2wd8 s HIS 267 Ca 0.50 0.86 0.00 0.00 -0.80 0.00 0.00 55.06 55.62 2wd8 s HIS 267 Cb -0.20 -3.37 0.00 0.00 -1.43 0.00 0.00 32.58 27.58 2wd8 s HIS 267 CO 0.14 -2.63 0.48 0.00 -2.00 0.00 0.00 174.74 170.74