#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 3.46 0.85 4.31 0.00 -1.26 -5.06 121.76 124.06 2wd8 s ALA 3 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.18 2wd8 s ALA 3 Cb 0.00 -2.92 0.10 0.00 0.00 0.00 0.00 23.12 20.30 2wd8 s ALA 3 CO 0.00 0.30 1.10 -1.25 0.00 0.00 0.00 175.76 175.92 2wd8 s PRO 4 N -1.20 1.61 0.03 0.00 0.04 -1.26 -4.74 135.00 129.47 2wd8 s PRO 4 Ca 0.36 1.20 0.07 0.00 0.04 0.00 0.00 61.00 62.66 2wd8 s PRO 4 Cb -0.22 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 2wd8 s PRO 4 CO 0.25 -2.10 -0.19 0.00 0.04 0.00 0.00 177.00 174.99 2wd8 s ALA 5 N -2.82 1.64 -0.02 8.56 0.00 -1.26 -0.46 121.76 127.40 2wd8 s ALA 5 Ca 0.63 -0.98 0.02 0.00 0.00 0.00 0.00 51.96 51.63 2wd8 s ALA 5 Cb -0.19 -0.33 0.00 0.00 0.00 0.00 0.00 23.12 22.60 2wd8 s ALA 5 CO 0.57 0.37 -0.06 0.00 0.00 0.00 0.00 175.76 176.64 2wd8 s ALA 6 N -0.73 0.55 -0.19 0.00 0.00 0.47 -0.30 121.76 121.56 2wd8 s ALA 6 Ca 0.07 -0.19 -0.14 0.00 0.00 0.00 0.00 51.96 51.70 2wd8 s ALA 6 Cb -0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 2wd8 s ALA 6 CO 0.01 0.09 0.32 0.08 0.00 0.00 0.00 175.76 176.25 2wd8 s VAL 7 N 0.19 5.27 -0.18 0.00 1.01 -0.41 -0.04 120.40 126.23 2wd8 s VAL 7 Ca -0.02 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.52 2wd8 s VAL 7 Cb -0.06 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.68 2wd8 s VAL 7 CO -0.00 0.32 -0.17 -0.69 0.00 0.00 0.00 175.10 174.56 2wd8 s VAL 8 N 0.94 2.36 0.34 2.92 1.01 -0.80 -0.13 120.40 127.05 2wd8 s VAL 8 Ca 0.16 -0.84 -0.21 0.00 0.00 0.00 0.00 61.98 61.09 2wd8 s VAL 8 Cb -0.14 -2.01 -0.10 0.00 0.00 0.00 0.00 36.38 34.14 2wd8 s VAL 8 CO 0.06 0.52 0.87 0.42 0.00 0.00 0.00 175.10 176.96 2wd8 s THR 9 N 1.23 4.43 -1.30 3.92 -4.23 -0.75 -1.98 115.64 116.95 2wd8 s THR 9 Ca 0.03 1.44 -0.02 0.00 -1.18 0.00 0.00 61.69 61.96 2wd8 s THR 9 Cb -0.14 -3.76 -0.00 0.00 1.34 0.00 0.00 72.50 69.94 2wd8 s THR 9 CO -0.09 -0.07 0.66 0.61 -0.54 0.00 0.00 174.62 175.19 2wd8 n GLY 10 N -0.01 -0.37 1.01 3.99 0.00 -0.96 -3.01 105.19 105.84 2wd8 n GLY 10 Ca 0.03 0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.25 2.45 0.17 4.61 0.00 0.58 -4.03 120.51 120.04 2wd8 n ALA 11 Ca -0.28 -0.85 0.01 0.00 0.00 0.00 0.00 53.44 52.33 2wd8 n ALA 11 Cb 0.67 -0.91 0.31 0.00 0.00 0.00 0.00 19.45 19.52 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 4.47 1.28 -3.40 0.00 0.00 -1.87 -2.94 119.26 116.79 2wd8 h ALA 12 Ca 0.00 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.37 2wd8 h ALA 12 Cb 0.90 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2wd8 h ALA 12 CO 0.00 0.54 0.01 0.36 0.00 0.00 0.00 179.25 180.16 2wd8 n LYS 13 N -4.03 0.70 0.00 0.00 2.85 -1.26 -4.39 118.16 112.03 2wd8 n LYS 13 Ca -0.02 -2.10 0.00 0.00 -1.05 0.00 0.00 58.31 55.14 2wd8 n LYS 13 Cb 0.46 2.21 0.00 0.00 -0.65 0.00 0.00 35.03 37.05 2wd8 n LYS 13 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2wd8 n ARG 14 N -0.46 0.00 -0.22 -1.58 1.74 -1.26 -1.44 116.66 113.44 2wd8 n ARG 14 Ca -0.02 0.00 -0.08 0.00 -0.77 0.00 0.00 57.85 56.98 2wd8 n ARG 14 Cb 0.48 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 31.95 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 1.25 -0.86 0.55 2.04 -1.91 -2.47 117.51 116.11 2wd8 h ILE 15 Ca 0.00 -0.88 0.07 0.00 1.00 0.00 0.00 64.86 65.05 2wd8 h ILE 15 Cb 0.00 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 2wd8 h ILE 15 CO 0.00 0.33 0.53 1.23 0.00 0.00 0.00 178.15 180.24 2wd8 h GLY 16 N 0.90 1.31 1.06 5.37 0.00 -1.63 -1.82 103.07 108.26 2wd8 h GLY 16 Ca 0.20 -0.38 -0.11 0.00 0.00 0.00 0.00 47.33 47.04 2wd8 h GLY 16 CO -0.00 0.24 -0.10 -0.09 0.00 0.00 0.00 176.54 176.59 2wd8 h ARG 17 N 0.95 0.96 -0.78 4.80 2.43 -0.97 -2.16 114.38 119.61 2wd8 h ARG 17 Ca 0.39 -0.36 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2wd8 h ARG 17 Cb 0.22 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 2wd8 h ARG 17 CO -0.19 1.03 0.45 0.00 -1.51 0.00 0.00 179.97 179.75 2wd8 h ALA 18 N 0.91 1.34 -0.10 2.80 0.00 -1.01 0.33 119.26 123.53 2wd8 h ALA 18 Ca 0.13 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2wd8 h ALA 18 Cb 0.66 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wd8 h ALA 18 CO 0.05 0.56 -0.10 0.82 0.00 0.00 0.00 179.25 180.57 2wd8 h ILE 19 N 1.07 1.36 -0.63 0.00 2.04 -1.25 -1.74 117.51 118.37 2wd8 h ILE 19 Ca 0.28 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2wd8 h ILE 19 Cb -0.02 1.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2wd8 h ILE 19 CO -0.05 0.36 0.35 0.00 0.00 0.00 0.00 178.15 178.81 2wd8 h ALA 20 N 0.57 1.42 -0.10 1.87 0.00 -1.21 0.15 119.26 121.96 2wd8 h ALA 20 Ca 0.01 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2wd8 h ALA 20 Cb 0.62 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2wd8 h ALA 20 CO 0.03 0.48 -0.09 0.28 0.00 0.00 0.00 179.25 179.94 2wd8 h VAL 21 N 0.88 1.36 -0.62 0.00 2.07 -0.93 -1.27 116.25 117.73 2wd8 h VAL 21 Ca 0.22 -1.24 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 2wd8 h VAL 21 Cb 0.02 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 2wd8 h VAL 21 CO -0.04 0.35 0.12 0.50 0.02 0.00 0.00 177.57 178.53 2wd8 h LYS 22 N -0.16 0.98 -0.50 1.57 3.64 -1.14 0.31 116.57 121.27 2wd8 h LYS 22 Ca 0.02 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2wd8 h LYS 22 Cb 0.61 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2wd8 h LYS 22 CO 0.02 0.89 0.30 -0.07 -2.27 0.00 0.00 179.45 178.32 2wd8 h LEU 23 N 0.93 0.60 -0.87 5.20 3.38 -0.68 -2.23 115.31 121.65 2wd8 h LEU 23 Ca 0.19 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2wd8 h LEU 23 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2wd8 h LEU 23 CO 0.01 0.48 0.17 -0.74 0.09 0.00 0.00 178.44 178.45 2wd8 h HIS 24 N 0.66 1.05 0.00 1.13 2.76 -0.88 -1.27 115.15 118.60 2wd8 h HIS 24 Ca 0.18 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.18 2wd8 h HIS 24 Cb -0.00 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 2wd8 h HIS 24 CO -0.03 0.85 -0.28 1.96 -1.30 0.00 0.00 177.93 179.14 2wd8 h GLN 25 N 0.97 0.00 0.00 5.26 4.20 -0.77 -1.39 115.11 123.39 2wd8 h GLN 25 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 2wd8 h GLN 25 Cb 0.32 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2wd8 h GLN 25 CO -0.00 0.28 0.00 1.15 -0.67 0.00 0.00 178.83 179.59 2wd8 h THR 26 N 0.00 0.00 0.00 -0.54 2.02 -0.91 -3.47 112.91 110.01 2wd8 h THR 26 Ca -0.00 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.67 2wd8 h THR 26 Cb 0.53 1.44 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 2wd8 h THR 26 CO 0.04 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.54 2wd8 n GLY 27 N 0.80 1.45 3.77 2.16 0.00 -0.52 -5.11 105.19 107.73 2wd8 n GLY 27 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 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 3.73 0.24 1.61 1.51 -0.53 -4.35 117.35 117.58 2wd8 s TYR 28 Ca 0.00 1.81 -0.24 0.00 -1.01 0.00 0.00 57.07 57.62 2wd8 s TYR 28 Cb 0.00 -2.99 -0.09 0.00 -0.11 0.00 0.00 41.96 38.77 2wd8 s TYR 28 CO 0.00 0.14 0.83 1.03 -1.11 0.00 0.00 175.55 176.44 2wd8 s ARG 29 N -1.77 4.49 0.00 -0.62 0.52 0.39 -4.22 118.95 117.74 2wd8 s ARG 29 Ca 0.48 1.15 0.05 0.00 -0.52 0.00 0.00 55.73 56.88 2wd8 s ARG 29 Cb -0.22 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 2wd8 s ARG 29 CO 0.28 0.41 -0.15 0.14 0.02 0.00 0.00 175.30 176.01 2wd8 s VAL 30 N -1.43 1.15 -0.28 3.52 -7.23 -0.16 -0.40 120.40 115.56 2wd8 s VAL 30 Ca 0.43 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.77 2wd8 s VAL 30 Cb -0.20 -0.98 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 2wd8 s VAL 30 CO 0.24 0.24 0.19 -0.69 -0.31 0.00 0.00 175.10 174.77 2wd8 s VAL 31 N -0.47 5.29 -0.82 1.32 1.01 0.94 -1.90 120.40 125.77 2wd8 s VAL 31 Ca 0.05 0.16 -0.16 0.00 0.00 0.00 0.00 61.98 62.03 2wd8 s VAL 31 Cb -0.06 -3.52 0.17 0.00 0.00 0.00 0.00 36.38 32.97 2wd8 s VAL 31 CO -0.00 0.25 0.88 -0.63 0.00 0.00 0.00 175.10 175.60 2wd8 s ILE 32 N 1.76 5.18 0.28 2.22 1.01 0.65 -1.91 121.20 130.38 2wd8 s ILE 32 Ca 0.07 -1.91 -0.29 0.00 0.00 0.00 0.00 60.65 58.52 2wd8 s ILE 32 Cb -0.16 -4.58 -0.09 0.00 0.01 0.00 0.00 42.46 37.64 2wd8 s ILE 32 CO 0.11 -1.21 1.14 -2.28 0.00 0.00 0.00 174.94 172.70 2wd8 s HIS 33 N 1.46 3.48 0.10 3.97 5.65 -0.84 -1.74 115.29 127.38 2wd8 s HIS 33 Ca 0.22 1.63 -0.07 0.00 0.25 0.00 0.00 55.06 57.08 2wd8 s HIS 33 Cb -0.11 -3.36 -0.01 0.00 -1.18 0.00 0.00 32.58 27.92 2wd8 s HIS 33 CO -0.06 -0.82 0.16 1.52 -0.65 0.00 0.00 174.74 174.88 2wd8 s TYR 34 N -1.03 0.31 0.00 3.88 -0.85 -0.76 -0.31 117.35 118.60 2wd8 s TYR 34 Ca 0.46 -0.75 0.00 0.00 -0.52 0.00 0.00 57.07 56.26 2wd8 s TYR 34 Cb -0.33 -0.15 0.00 0.00 0.38 0.00 0.00 41.96 41.86 2wd8 s TYR 34 CO 0.42 -0.55 0.00 1.58 -1.52 0.00 0.00 175.55 175.49 2wd8 n HIS 35 N -0.06 0.00 -0.01 -3.49 -0.00 -1.26 -2.02 115.22 108.38 2wd8 n HIS 35 Ca -0.13 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.69 2wd8 n HIS 35 Cb 0.62 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.45 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 -1.97 0.30 -2.85 0.26 3.02 -1.26 -4.71 115.26 108.05 2wd8 n ASN 36 Ca 0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.25 2wd8 n ASN 36 Cb 0.00 1.91 -0.07 0.00 -0.61 0.00 0.00 39.78 41.00 2wd8 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wd8 n SER 37 N -2.23 7.40 -0.22 6.41 7.64 -1.26 -4.63 113.62 126.73 2wd8 n SER 37 Ca -0.05 -2.65 -0.06 0.00 1.01 0.00 0.00 58.87 57.13 2wd8 n SER 37 Cb 0.56 -1.47 0.04 0.00 -1.01 0.00 0.00 64.21 62.33 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 4.17 0.78 0.20 -0.43 0.00 -1.96 -1.29 119.26 120.74 2wd8 h ALA 38 Ca 0.60 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2wd8 h ALA 38 Cb 0.71 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2wd8 h ALA 38 CO 1.19 0.19 -0.10 1.49 0.00 0.00 0.00 179.25 182.02 2wd8 h GLU 39 N 0.81 -0.26 -0.81 0.00 4.81 -2.00 -1.73 114.58 115.40 2wd8 h GLU 39 Ca 0.23 0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 2wd8 h GLU 39 Cb -0.07 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 2wd8 h GLU 39 CO -0.06 -0.02 0.50 0.00 -0.73 0.00 0.00 179.01 178.69 2wd8 h ALA 40 N 0.29 1.10 -0.16 2.92 0.00 -1.87 -2.04 119.26 119.50 2wd8 h ALA 40 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2wd8 h ALA 40 Cb 0.36 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2wd8 h ALA 40 CO 0.05 0.23 -0.05 0.00 0.00 0.00 0.00 179.25 179.48 2wd8 h ALA 41 N 1.38 0.23 -0.77 0.00 0.00 -1.08 -1.59 119.26 117.44 2wd8 h ALA 41 Ca 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2wd8 h ALA 41 Cb 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2wd8 h ALA 41 CO -0.17 -0.00 0.37 0.28 0.00 0.00 0.00 179.25 179.73 2wd8 h VAL 42 N 0.02 1.24 -0.40 0.00 2.07 -1.27 -1.25 116.25 116.66 2wd8 h VAL 42 Ca 0.04 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.75 2wd8 h VAL 42 Cb 0.49 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2wd8 h VAL 42 CO 0.02 0.29 -0.27 -1.28 0.02 0.00 0.00 177.57 176.35 2wd8 h SER 43 N 1.08 0.87 -0.41 0.57 0.87 -1.33 -0.04 113.55 115.16 2wd8 h SER 43 Ca 0.26 -0.34 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2wd8 h SER 43 Cb 0.12 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2wd8 h SER 43 CO -0.03 1.09 0.26 0.25 -0.53 0.00 0.00 176.83 177.87 2wd8 h LEU 44 N 0.72 0.45 -0.20 2.23 5.85 -1.01 -1.20 115.31 122.15 2wd8 h LEU 44 Ca 0.09 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2wd8 h LEU 44 Cb 0.81 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2wd8 h LEU 44 CO 0.07 0.32 0.09 0.00 -0.34 0.00 0.00 178.44 178.58 2wd8 h ALA 45 N 1.16 0.26 -0.35 1.25 0.00 -0.92 -0.16 119.26 120.49 2wd8 h ALA 45 Ca 0.15 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.04 2wd8 h ALA 45 Cb -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 2wd8 h ALA 45 CO -0.04 -0.16 -0.14 -0.44 0.00 0.00 0.00 179.25 178.47 2wd8 h ASP 46 N 0.19 -0.50 0.09 0.00 3.32 -1.00 0.27 116.42 118.79 2wd8 h ASP 46 Ca 0.07 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.27 2wd8 h ASP 46 Cb 0.15 0.29 -0.05 0.00 0.22 0.00 0.00 39.33 39.94 2wd8 h ASP 46 CO -0.01 -0.18 -0.43 -0.33 -1.72 0.00 0.00 179.24 176.58 2wd8 h GLU 47 N -0.08 -0.62 -0.29 3.56 5.08 -0.50 -1.91 114.58 119.82 2wd8 h GLU 47 Ca 0.18 0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 2wd8 h GLU 47 Cb 0.35 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2wd8 h GLU 47 CO -0.41 -0.41 -0.20 -0.07 -1.00 0.00 0.00 179.01 176.92 2wd8 h LEU 48 N -0.64 0.53 -1.40 1.33 3.38 -0.82 -2.89 115.31 114.80 2wd8 h LEU 48 Ca 0.03 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 2wd8 h LEU 48 Cb 0.68 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2wd8 h LEU 48 CO -0.26 0.74 -0.29 0.78 0.09 0.00 0.00 178.44 179.50 2wd8 h ASN 49 N 0.48 0.00 1.71 -0.43 2.35 -0.23 -2.08 115.58 117.38 2wd8 h ASN 49 Ca 0.08 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 2wd8 h ASN 49 Cb 0.61 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2wd8 h ASN 49 CO 0.04 0.29 -0.21 0.07 -1.65 0.00 0.00 177.43 175.97 2wd8 h LYS 50 N 0.00 0.00 0.31 0.81 2.10 -1.14 -2.52 116.57 116.12 2wd8 h LYS 50 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 2wd8 h LYS 50 Cb 0.59 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2wd8 h LYS 50 CO 0.04 0.21 -0.15 1.49 -2.00 0.00 0.00 179.45 179.04 2wd8 h GLU 51 N 0.00 -0.40 -3.82 0.07 4.57 -1.34 -3.44 114.58 110.22 2wd8 h GLU 51 Ca -0.00 0.03 -0.41 0.00 -1.18 0.00 0.00 59.36 57.80 2wd8 h GLU 51 Cb 1.12 0.09 -0.36 0.00 -0.16 0.00 0.00 28.75 29.45 2wd8 h GLU 51 CO 0.03 -0.08 -0.76 1.03 -1.18 0.00 0.00 179.01 178.04 2wd8 s ARG 52 N -4.62 0.63 0.44 1.92 0.52 -0.82 -5.13 118.95 111.88 2wd8 s ARG 52 Ca -0.14 0.03 -0.26 0.00 -0.52 0.00 0.00 55.73 54.84 2wd8 s ARG 52 Cb 0.02 -0.83 -0.09 0.00 0.52 0.00 0.00 34.95 34.57 2wd8 s ARG 52 CO 0.54 -0.19 1.45 -1.54 0.02 0.00 0.00 175.30 175.58 2wd8 s SER 53 N 1.42 5.96 -1.45 0.23 1.04 -0.95 -3.46 113.70 116.49 2wd8 s SER 53 Ca -0.04 2.98 -0.10 0.00 0.48 0.00 0.00 55.95 59.27 2wd8 s SER 53 Cb -0.13 -2.66 0.04 0.00 0.10 0.00 0.00 66.02 63.36 2wd8 s SER 53 CO -0.03 -1.13 0.98 0.59 0.98 0.00 0.00 173.24 174.64 2wd8 n ASN 54 N -0.05 -5.74 -0.05 7.02 3.02 -1.26 -4.91 115.26 113.28 2wd8 n ASN 54 Ca 0.04 -0.55 0.01 0.00 -0.03 0.00 0.00 54.58 54.04 2wd8 n ASN 54 Cb 0.41 -4.57 0.01 0.00 -0.61 0.00 0.00 39.78 35.03 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 -4.77 0.55 -3.71 3.41 -2.24 -1.22 -5.01 114.28 101.28 2wd8 n THR 55 Ca -0.00 -0.77 -0.12 0.00 -2.27 0.00 0.00 64.05 60.88 2wd8 n THR 55 Cb 0.56 0.74 -0.12 0.00 -2.10 0.00 0.00 70.33 69.40 2wd8 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wd8 s ALA 56 N -0.59 -0.69 0.16 6.98 0.00 -1.26 -0.99 121.76 125.38 2wd8 s ALA 56 Ca 0.02 1.13 0.06 0.00 0.00 0.00 0.00 51.96 53.17 2wd8 s ALA 56 Cb 0.01 -0.77 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2wd8 s ALA 56 CO 0.01 -0.28 -0.13 0.14 0.00 0.00 0.00 175.76 175.50 2wd8 s VAL 57 N 1.48 1.44 0.27 0.00 -7.23 -0.80 -4.89 120.40 110.67 2wd8 s VAL 57 Ca -0.08 -2.03 0.05 0.00 -1.81 0.00 0.00 61.98 58.11 2wd8 s VAL 57 Cb -0.10 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.97 2wd8 s VAL 57 CO -0.10 -0.60 0.41 0.68 -0.31 0.00 0.00 175.10 175.18 2wd8 s VAL 58 N -2.87 4.96 -0.25 1.32 -7.23 -1.26 -0.25 120.40 114.82 2wd8 s VAL 58 Ca 0.17 -0.93 -0.04 0.00 -1.81 0.00 0.00 61.98 59.37 2wd8 s VAL 58 Cb -0.01 -3.75 0.14 0.00 0.56 0.00 0.00 36.38 33.32 2wd8 s VAL 58 CO 0.04 -0.31 0.45 0.00 -0.31 0.00 0.00 175.10 174.96 2wd8 s GLN 60 N 2.65 4.40 -0.29 0.00 -0.44 -1.26 -1.83 119.66 122.89 2wd8 s GLN 60 Ca 0.11 0.78 -0.15 0.00 -2.50 0.00 0.00 55.36 53.60 2wd8 s GLN 60 Cb -0.14 -3.42 0.12 0.00 -1.64 0.00 0.00 33.01 27.93 2wd8 s GLN 60 CO -0.17 0.15 0.85 0.00 0.50 0.00 0.00 175.29 176.62 2wd8 s ALA 61 N 0.55 -2.17 0.08 1.58 0.00 -0.86 -4.97 121.76 115.97 2wd8 s ALA 61 Ca 0.34 2.28 -0.31 0.00 0.00 0.00 0.00 51.96 54.27 2wd8 s ALA 61 Cb -0.17 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.21 2wd8 s ALA 61 CO 0.17 -0.48 1.40 0.34 0.00 0.00 0.00 175.76 177.19 2wd8 s ASP 62 N 1.71 6.83 -0.30 0.00 -1.08 -1.26 -4.37 116.67 118.19 2wd8 s ASP 62 Ca -0.08 2.27 0.10 0.00 -0.52 0.00 0.00 52.55 54.32 2wd8 s ASP 62 Cb -0.05 -2.58 0.62 0.00 -1.46 0.00 0.00 42.92 39.45 2wd8 s ASP 62 CO -0.17 -0.68 1.65 0.18 0.52 0.00 0.00 175.17 176.67 2wd8 n LEU 63 N 4.40 5.17 -4.77 -1.34 4.77 -1.26 -4.98 117.00 119.00 2wd8 n LEU 63 Ca 0.12 -3.40 -0.40 0.00 -0.03 0.00 0.00 56.01 52.30 2wd8 n LEU 63 Cb 0.43 -0.69 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2wd8 n LEU 63 CO 0.59 0.95 0.90 -0.89 -1.33 0.00 0.00 177.39 177.61 2wd8 s THR 64 N -3.08 2.97 0.18 -5.08 2.01 -1.26 -2.19 115.64 109.18 2wd8 s THR 64 Ca 0.50 0.90 -0.32 0.00 0.31 0.00 0.00 61.69 63.08 2wd8 s THR 64 Cb 0.42 -3.54 -0.12 0.00 0.01 0.00 0.00 72.50 69.27 2wd8 s THR 64 CO 0.08 0.16 1.76 -3.20 -0.69 0.00 0.00 174.62 172.73 2wd8 n ASN 65 N 0.50 4.00 -3.52 3.53 5.15 -0.29 -4.72 115.26 119.90 2wd8 n ASN 65 Ca 0.02 1.04 -0.07 0.00 -0.60 0.00 0.00 54.58 54.96 2wd8 n ASN 65 Cb 0.44 -1.56 -0.00 0.00 -0.53 0.00 0.00 39.78 38.12 2wd8 n ASN 65 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2wd8 s SER 66 N 1.65 -0.16 0.24 1.20 1.04 -1.26 -4.86 113.70 111.55 2wd8 s SER 66 Ca 0.77 -0.79 0.21 0.00 0.48 0.00 0.00 55.95 56.63 2wd8 s SER 66 Cb -0.50 0.76 0.96 0.00 0.10 0.00 0.00 66.02 67.34 2wd8 s SER 66 CO 0.34 -1.44 1.65 0.59 0.98 0.00 0.00 173.24 175.35 2wd8 n ASN 67 N -0.81 0.56 -0.63 7.02 3.02 -1.26 -2.48 115.26 120.69 2wd8 n ASN 67 Ca -0.06 0.67 0.06 0.00 -0.03 0.00 0.00 54.58 55.22 2wd8 n ASN 67 Cb 0.59 -0.78 0.13 0.00 -0.61 0.00 0.00 39.78 39.12 2wd8 n ASN 67 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wd8 n VAL 68 N -2.15 0.75 -0.26 2.41 0.31 -1.26 -4.51 118.33 113.61 2wd8 n VAL 68 Ca 0.01 -0.87 -0.02 0.00 -0.01 0.00 0.00 64.34 63.44 2wd8 n VAL 68 Cb 0.16 0.69 0.09 0.00 -0.91 0.00 0.00 33.84 33.87 2wd8 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2wd8 h LEU 69 N 2.19 0.75 -0.36 7.52 5.85 -1.77 -2.17 115.31 127.31 2wd8 h LEU 69 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2wd8 h LEU 69 Cb 0.68 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 2wd8 h LEU 69 CO 0.00 0.51 0.13 -0.65 -0.34 0.00 0.00 178.44 178.09 2wd8 h PRO 70 N 0.89 0.27 -0.64 5.25 0.11 -1.80 -0.61 132.00 135.48 2wd8 h PRO 70 Ca 0.30 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 66.52 2wd8 h PRO 70 Cb 0.05 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 31.01 2wd8 h PRO 70 CO -0.12 0.18 0.17 0.00 -0.21 0.00 0.00 178.00 178.02 2wd8 h ALA 71 N 1.23 0.80 -0.73 -0.75 0.00 -1.82 -0.12 119.26 117.87 2wd8 h ALA 71 Ca 0.16 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2wd8 h ALA 71 Cb 0.14 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2wd8 h ALA 71 CO -0.17 -0.29 0.30 0.77 0.00 0.00 0.00 179.25 179.87 2wd8 h SER 72 N 0.30 0.99 -0.19 0.00 0.02 -0.74 -0.83 113.55 113.10 2wd8 h SER 72 Ca 0.34 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 61.00 2wd8 h SER 72 Cb 0.51 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2wd8 h SER 72 CO -0.41 0.89 -0.38 0.00 -1.14 0.00 0.00 176.83 175.78 2wd8 h GLU 74 N 0.26 0.75 -0.57 0.00 4.81 -0.91 -2.58 114.58 116.33 2wd8 h GLU 74 Ca 0.00 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2wd8 h GLU 74 Cb 0.99 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.17 2wd8 h GLU 74 CO 0.09 0.49 0.26 1.49 -0.73 0.00 0.00 179.01 180.61 2wd8 h GLU 75 N 0.77 0.83 -0.31 1.92 4.57 -1.04 0.42 114.58 121.73 2wd8 h GLU 75 Ca 0.39 -0.13 0.06 0.00 -1.18 0.00 0.00 59.36 58.50 2wd8 h GLU 75 Cb 0.36 -0.14 -0.06 0.00 -0.16 0.00 0.00 28.75 28.76 2wd8 h GLU 75 CO -0.25 0.69 -0.05 0.82 -1.18 0.00 0.00 179.01 179.05 2wd8 h ILE 76 N 0.77 0.72 -0.38 2.32 2.04 -0.98 0.12 117.51 122.13 2wd8 h ILE 76 Ca 0.19 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 66.00 2wd8 h ILE 76 Cb 0.15 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 2wd8 h ILE 76 CO -0.02 0.01 0.09 0.40 0.00 0.00 0.00 178.15 178.63 2wd8 h ILE 77 N 0.04 1.23 -0.58 -0.67 1.08 -1.39 -2.84 117.51 114.37 2wd8 h ILE 77 Ca 0.15 -0.78 0.06 0.00 -0.39 0.00 0.00 64.86 63.90 2wd8 h ILE 77 Cb 0.22 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.94 2wd8 h ILE 77 CO -0.29 0.27 0.38 0.78 -0.69 0.00 0.00 178.15 178.60 2wd8 h ASN 78 N 0.47 0.48 -0.60 1.72 2.35 -0.24 -1.64 115.58 118.13 2wd8 h ASN 78 Ca 0.12 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 2wd8 h ASN 78 Cb 0.31 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2wd8 h ASN 78 CO 0.00 0.32 0.19 0.28 -1.65 0.00 0.00 177.43 176.57 2wd8 h SER 79 N 0.55 0.90 -0.19 5.81 0.02 -0.53 0.20 113.55 120.31 2wd8 h SER 79 Ca 0.25 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 2wd8 h SER 79 Cb 0.28 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2wd8 h SER 79 CO -0.07 0.85 0.06 0.00 -1.14 0.00 0.00 176.83 176.53 2wd8 h PHE 81 N 0.14 0.85 -0.44 0.00 -1.00 -1.13 0.11 116.94 115.47 2wd8 h PHE 81 Ca 0.06 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 2wd8 h PHE 81 Cb 0.22 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 2wd8 h PHE 81 CO -0.00 0.68 0.16 -0.09 -1.61 0.00 0.00 178.31 177.45 2wd8 h ARG 82 N 0.82 0.67 0.01 1.51 2.43 -0.37 0.27 114.38 119.70 2wd8 h ARG 82 Ca 0.19 -0.13 -0.17 0.00 -0.81 0.00 0.00 59.98 59.06 2wd8 h ARG 82 Cb 0.22 -0.10 0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2wd8 h ARG 82 CO -0.01 0.63 -0.67 0.00 -1.51 0.00 0.00 179.97 178.41 2wd8 h ALA 83 N 1.01 0.07 0.00 2.80 0.00 -0.77 -3.41 119.26 118.97 2wd8 h ALA 83 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2wd8 h ALA 83 Cb 0.22 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2wd8 h ALA 83 CO -0.01 0.40 0.00 1.19 0.00 0.00 0.00 179.25 180.83 2wd8 n PHE 84 N -4.17 0.00 -0.95 0.00 0.99 0.36 -5.01 117.46 108.68 2wd8 n PHE 84 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.34 2wd8 n PHE 84 Cb 0.71 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.19 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 0.23 0.39 3.57 1.37 0.00 0.93 -4.92 105.19 106.76 2wd8 n GLY 85 Ca 0.00 0.00 -0.08 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 -0.67 1.05 -0.22 1.61 1.70 -1.26 -4.95 118.95 116.21 2wd8 s ARG 86 Ca 0.00 -0.46 -0.03 0.00 -0.47 0.00 0.00 55.73 54.77 2wd8 s ARG 86 Cb 0.00 0.44 0.11 0.00 -0.57 0.00 0.00 34.95 34.93 2wd8 s ARG 86 CO 0.00 -0.47 0.32 0.00 -1.08 0.00 0.00 175.30 174.07 2wd8 n ASP 88 N 5.35 0.47 -3.87 0.00 9.92 0.59 -4.97 116.55 124.04 2wd8 n ASP 88 Ca -0.05 0.00 -0.15 0.00 -0.53 0.00 0.00 54.79 54.07 2wd8 n ASP 88 Cb 0.50 0.96 -0.15 0.00 -0.64 0.00 0.00 41.12 41.79 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 -2.46 0.16 -0.12 2.53 1.01 -1.05 -1.88 120.40 118.60 2wd8 s VAL 89 Ca -0.09 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.88 2wd8 s VAL 89 Cb 0.06 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.27 2wd8 s VAL 89 CO 0.75 0.08 -0.17 -0.22 0.00 0.00 0.00 175.10 175.54 2wd8 s LEU 90 N 0.31 1.83 -0.19 3.92 2.96 -0.91 -1.29 118.68 125.31 2wd8 s LEU 90 Ca -0.03 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.38 2wd8 s LEU 90 Cb -0.05 -1.20 -0.00 0.00 0.50 0.00 0.00 46.19 45.43 2wd8 s LEU 90 CO -0.01 0.03 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.26 2wd8 s VAL 91 N 0.99 2.93 -0.71 1.68 1.01 0.82 -1.61 120.40 125.52 2wd8 s VAL 91 Ca -0.05 -0.65 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 2wd8 s VAL 91 Cb -0.15 -2.30 0.15 0.00 0.00 0.00 0.00 36.38 34.09 2wd8 s VAL 91 CO -0.03 0.47 0.75 0.20 0.00 0.00 0.00 175.10 176.49 2wd8 s ASN 92 N 1.25 6.44 -0.07 3.32 0.01 -0.40 -1.81 114.94 123.70 2wd8 s ASN 92 Ca 0.03 -2.02 0.04 0.00 -0.71 0.00 0.00 52.86 50.20 2wd8 s ASN 92 Cb -0.14 -2.27 -0.07 0.00 0.41 0.00 0.00 41.25 39.18 2wd8 s ASN 92 CO -0.05 -0.88 -0.01 -3.20 -1.51 0.00 0.00 177.10 171.45 2wd8 n ASN 93 N 5.36 3.44 -4.67 -1.22 5.15 -1.25 -0.53 115.26 121.54 2wd8 n ASN 93 Ca 0.02 -0.02 -0.45 0.00 -0.60 0.00 0.00 54.58 53.53 2wd8 n ASN 93 Cb 0.44 0.35 -0.03 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 1.23 -3.67 5.20 0.00 -1.16 -4.89 120.51 114.80 2wd8 n ALA 94 Ca -0.12 0.42 -0.08 0.00 0.00 0.00 0.00 53.44 53.67 2wd8 n ALA 94 Cb 0.68 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.74 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 -0.61 0.21 0.00 0.15 -1.26 -4.49 113.70 108.22 2wd8 s SER 95 Ca 0.72 1.13 -0.20 0.00 0.70 0.00 0.00 55.95 58.30 2wd8 s SER 95 Cb -0.66 1.24 -0.08 0.00 -1.71 0.00 0.00 66.02 64.82 2wd8 s SER 95 CO 0.45 -0.22 0.71 0.00 1.20 0.00 0.00 173.24 175.39 2wd8 s ALA 96 N 1.97 3.43 -0.24 5.45 0.00 -1.26 -5.05 121.76 126.06 2wd8 s ALA 96 Ca -0.07 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2wd8 s ALA 96 Cb -0.09 -2.81 0.13 0.00 0.00 0.00 0.00 23.12 20.35 2wd8 s ALA 96 CO -0.15 0.33 0.42 0.12 0.00 0.00 0.00 175.76 176.48 2wd8 s PHE 97 N -1.48 -0.93 -0.09 0.00 2.19 -1.26 -4.83 117.98 111.58 2wd8 s PHE 97 Ca 0.42 1.13 -0.32 0.00 0.33 0.00 0.00 56.93 58.49 2wd8 s PHE 97 Cb -0.17 0.17 0.12 0.00 -1.31 0.00 0.00 43.02 41.83 2wd8 s PHE 97 CO 0.21 -0.69 1.03 1.52 1.83 0.00 0.00 175.22 179.12 2wd8 s TYR 98 N 2.61 -0.25 0.50 10.12 -0.85 -1.26 -5.17 117.35 123.05 2wd8 s TYR 98 Ca 0.10 0.16 -0.20 0.00 -0.52 0.00 0.00 57.07 56.62 2wd8 s TYR 98 Cb -0.15 0.53 -0.08 0.00 0.38 0.00 0.00 41.96 42.64 2wd8 s TYR 98 CO -0.16 -0.39 1.05 -1.25 -1.52 0.00 0.00 175.55 173.27 2wd8 s PRO 99 N -2.79 3.71 -0.47 -3.49 0.04 -1.26 -4.75 135.00 125.98 2wd8 s PRO 99 Ca 0.07 1.35 0.04 0.00 0.04 0.00 0.00 61.00 62.50 2wd8 s PRO 99 Cb -0.01 -2.08 0.17 0.00 0.04 0.00 0.00 34.50 32.62 2wd8 s PRO 99 CO -0.07 -0.51 0.36 0.95 0.04 0.00 0.00 177.00 177.77 2wd8 s THR 100 N -2.03 0.93 0.35 1.26 -4.23 0.04 -5.01 115.64 106.95 2wd8 s THR 100 Ca 0.67 -2.95 -0.28 0.00 -1.18 0.00 0.00 61.69 57.95 2wd8 s THR 100 Cb -0.17 -1.64 -0.11 0.00 1.34 0.00 0.00 72.50 71.93 2wd8 s THR 100 CO 0.23 -1.16 1.43 -2.84 -0.54 0.00 0.00 174.62 171.74 2wd8 s PRO 101 N -0.20 4.20 0.26 3.99 0.02 -1.23 -4.34 135.00 137.70 2wd8 s PRO 101 Ca 0.30 2.44 -0.02 0.00 0.02 0.00 0.00 61.00 63.74 2wd8 s PRO 101 Cb -0.01 -3.01 0.34 0.00 0.02 0.00 0.00 34.50 31.84 2wd8 s PRO 101 CO -0.17 -0.41 1.77 -0.07 -0.33 0.00 0.00 177.00 177.78 2wd8 h LEU 102 N 3.26 0.77 -5.33 -5.54 3.38 -2.00 -3.52 115.31 106.33 2wd8 h LEU 102 Ca -0.50 -0.18 -0.62 0.00 0.09 0.00 0.00 57.88 56.67 2wd8 h LEU 102 Cb 1.23 -0.20 -0.40 0.00 0.09 0.00 0.00 40.66 41.38 2wd8 h LEU 102 CO 0.66 0.82 -0.44 0.52 0.09 0.00 0.00 178.44 180.09 2wd8 n VAL 103 N -4.22 3.38 -3.42 1.22 0.31 -1.26 -5.25 118.33 109.09 2wd8 n VAL 103 Ca 0.03 -5.57 0.00 0.00 -0.01 0.00 0.00 64.34 58.79 2wd8 n VAL 103 Cb 0.29 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 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 -0.25 0.37 3.83 2.92 0.00 -1.26 -5.19 105.19 105.62 2wd8 n GLY 113 Ca 0.34 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 3.63 0.77 1.61 1.02 -1.26 -5.06 119.74 120.45 2wd8 s LYS 114 Ca 0.00 0.99 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 2wd8 s LYS 114 Cb 0.00 -2.09 0.05 0.00 -0.52 0.00 0.00 37.83 35.27 2wd8 s LYS 114 CO 0.00 -0.54 1.09 0.95 -0.92 0.00 0.00 175.35 175.93 2wd8 s THR 115 N -2.71 3.37 0.29 2.17 -4.23 -1.26 -4.89 115.64 108.38 2wd8 s THR 115 Ca 0.59 0.44 0.01 0.00 -1.18 0.00 0.00 61.69 61.56 2wd8 s THR 115 Cb -0.12 -3.19 0.13 0.00 1.34 0.00 0.00 72.50 70.66 2wd8 s THR 115 CO 0.39 -0.58 1.80 1.62 -0.54 0.00 0.00 174.62 177.31 2wd8 h VAL 116 N -0.97 1.23 -0.57 2.29 3.04 -1.99 -1.82 116.25 117.46 2wd8 h VAL 116 Ca -0.46 -0.94 -0.05 0.00 -1.01 0.00 0.00 66.70 64.25 2wd8 h VAL 116 Cb 1.25 0.95 -0.03 0.00 -2.01 0.00 0.00 31.29 31.45 2wd8 h VAL 116 CO 0.58 0.32 0.17 1.05 -1.01 0.00 0.00 177.57 178.68 2wd8 h GLU 117 N 0.61 0.86 -0.26 4.17 9.09 -1.99 -0.52 114.58 126.54 2wd8 h GLU 117 Ca 0.12 -0.16 -0.07 0.00 0.05 0.00 0.00 59.36 59.30 2wd8 h GLU 117 Cb 0.42 -0.14 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 2wd8 h GLU 117 CO 0.02 0.75 -0.10 1.15 0.05 0.00 0.00 179.01 180.88 2wd8 h THR 118 N 0.84 1.29 -0.33 -1.06 2.02 -1.90 -1.67 112.91 112.11 2wd8 h THR 118 Ca 0.19 -1.16 -0.00 0.00 0.77 0.00 0.00 66.41 66.20 2wd8 h THR 118 Cb 0.26 1.51 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 2wd8 h THR 118 CO -0.01 0.36 0.20 1.56 0.37 0.00 0.00 175.52 178.00 2wd8 h GLN 119 N 0.26 0.44 0.15 6.66 4.20 -1.02 0.14 115.11 125.94 2wd8 h GLN 119 Ca 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2wd8 h GLN 119 Cb 0.60 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2wd8 h GLN 119 CO 0.03 0.34 -0.14 0.28 -0.67 0.00 0.00 178.83 178.67 2wd8 h VAL 120 N 0.42 0.69 -0.63 -0.54 2.07 -1.14 -0.14 116.25 116.99 2wd8 h VAL 120 Ca 0.12 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.73 2wd8 h VAL 120 Cb 0.01 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2wd8 h VAL 120 CO -0.02 0.00 0.26 0.00 0.02 0.00 0.00 177.57 177.83 2wd8 h ALA 121 N 0.52 0.82 0.00 1.67 0.00 -1.00 0.23 119.26 121.50 2wd8 h ALA 121 Ca 0.00 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 2wd8 h ALA 121 Cb 0.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2wd8 h ALA 121 CO -0.03 -0.15 -0.28 0.93 0.00 0.00 0.00 179.25 179.72 2wd8 h GLU 122 N 0.46 0.19 0.09 0.00 5.08 -0.61 0.26 114.58 120.05 2wd8 h GLU 122 Ca 0.31 -0.20 -0.26 0.00 -1.00 0.00 0.00 59.36 58.21 2wd8 h GLU 122 Cb 0.36 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2wd8 h GLU 122 CO -0.29 0.94 -1.16 -0.07 -1.00 0.00 0.00 179.01 177.44 2wd8 h LEU 123 N -0.48 0.42 0.21 1.33 3.38 -0.96 -2.55 115.31 116.66 2wd8 h LEU 123 Ca -0.04 -0.42 -0.30 0.00 0.09 0.00 0.00 57.88 57.22 2wd8 h LEU 123 Cb 1.04 -0.13 0.03 0.00 0.09 0.00 0.00 40.66 41.68 2wd8 h LEU 123 CO 0.06 1.30 -1.35 0.40 0.09 0.00 0.00 178.44 178.94 2wd8 h ILE 124 N 0.10 1.27 0.58 1.22 1.08 -0.69 -3.22 117.51 117.85 2wd8 h ILE 124 Ca -0.11 -2.60 -0.02 0.00 -0.39 0.00 0.00 64.86 61.73 2wd8 h ILE 124 Cb 1.87 3.02 -0.01 0.00 -3.07 0.00 0.00 36.82 38.63 2wd8 h ILE 124 CO 0.19 0.78 -0.38 1.23 -0.69 0.00 0.00 178.15 179.28 2wd8 h GLY 125 N 0.08 -1.00 0.96 5.37 0.00 -1.06 -0.94 103.07 106.48 2wd8 h GLY 125 Ca -0.25 0.43 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 2wd8 h GLY 125 CO 0.21 -0.35 -0.15 -0.91 0.00 0.00 0.00 176.54 175.34 2wd8 h THR 126 N -0.92 1.28 -0.01 4.70 1.35 -0.99 0.48 112.91 118.81 2wd8 h THR 126 Ca -0.07 -1.25 -0.16 0.00 -0.55 0.00 0.00 66.41 64.38 2wd8 h THR 126 Cb 0.75 1.36 -0.02 0.00 -1.73 0.00 0.00 68.15 68.52 2wd8 h THR 126 CO 0.05 0.41 -0.73 0.78 -0.25 0.00 0.00 175.52 175.78 2wd8 h ASN 127 N 0.50 0.09 0.00 5.36 2.35 -1.59 -3.39 115.58 118.90 2wd8 h ASN 127 Ca 0.08 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2wd8 h ASN 127 Cb 0.68 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2wd8 h ASN 127 CO 0.05 0.79 -0.38 0.00 -1.65 0.00 0.00 177.43 176.24 2wd8 n ALA 128 N -2.43 2.52 -0.03 -0.83 0.00 -0.41 -4.59 120.51 114.76 2wd8 n ALA 128 Ca -0.02 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.27 2wd8 n ALA 128 Cb 0.71 0.19 -0.11 0.00 0.00 0.00 0.00 19.45 20.24 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 1.49 0.02 0.00 1.08 -0.96 -2.23 117.51 116.91 2wd8 h ILE 129 Ca 0.00 -1.82 -0.00 0.00 -0.39 0.00 0.00 64.86 62.65 2wd8 h ILE 129 Cb 0.38 2.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.70 2wd8 h ILE 129 CO 0.00 0.50 -0.01 0.00 -0.69 0.00 0.00 178.15 177.96 2wd8 h ALA 130 N 0.33 -0.02 -1.06 1.87 0.00 -0.29 0.11 119.26 120.19 2wd8 h ALA 130 Ca -0.02 -0.05 0.29 0.00 0.00 0.00 0.00 54.91 55.12 2wd8 h ALA 130 Cb 0.96 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.64 2wd8 h ALA 130 CO 0.05 -0.47 0.66 -1.35 0.00 0.00 0.00 179.25 178.14 2wd8 h PRO 131 N -0.12 0.38 -0.16 0.00 0.11 -1.76 0.40 132.00 130.86 2wd8 h PRO 131 Ca -0.00 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.99 2wd8 h PRO 131 Cb 0.11 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2wd8 h PRO 131 CO 0.00 0.25 -0.27 0.35 -0.21 0.00 0.00 178.00 178.12 2wd8 h PHE 132 N 0.40 0.59 -0.53 0.65 3.57 -0.68 -2.29 116.94 118.64 2wd8 h PHE 132 Ca 0.66 -0.20 -0.11 0.00 3.53 0.00 0.00 57.97 61.85 2wd8 h PHE 132 Cb 1.59 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 40.20 2wd8 h PHE 132 CO -0.00 0.91 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.83 2wd8 h LEU 133 N 0.10 0.99 -1.09 0.59 3.38 0.16 -2.10 115.31 117.34 2wd8 h LEU 133 Ca 0.01 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 2wd8 h LEU 133 Cb 0.86 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 2wd8 h LEU 133 CO 0.06 1.10 0.21 -0.07 0.09 0.00 0.00 178.44 179.83 2wd8 h LEU 134 N 0.86 0.78 -0.25 1.67 3.38 -0.27 -1.35 115.31 120.14 2wd8 h LEU 134 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2wd8 h LEU 134 Cb 0.64 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2wd8 h LEU 134 CO 0.04 0.72 0.08 0.74 0.09 0.00 0.00 178.44 180.11 2wd8 h THR 135 N 0.84 1.20 0.12 0.22 2.02 -1.25 0.15 112.91 116.20 2wd8 h THR 135 Ca 0.20 -0.62 0.02 0.00 0.77 0.00 0.00 66.41 66.77 2wd8 h THR 135 Cb 0.20 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.71 2wd8 h THR 135 CO -0.01 0.20 -0.44 -0.03 0.37 0.00 0.00 175.52 175.61 2wd8 h MET 136 N 0.23 -0.65 -0.67 6.66 1.85 -1.02 -0.55 114.93 120.78 2wd8 h MET 136 Ca 0.08 0.04 -0.02 0.00 -0.61 0.00 0.00 59.70 59.20 2wd8 h MET 136 Cb 0.24 0.15 -0.03 0.00 0.43 0.00 0.00 31.60 32.39 2wd8 h MET 136 CO -0.00 -0.43 0.36 0.77 -0.40 0.00 0.00 176.91 177.21 2wd8 h SER 137 N -0.67 0.85 -0.13 1.39 0.02 -1.17 0.71 113.55 114.54 2wd8 h SER 137 Ca 0.02 -0.10 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 2wd8 h SER 137 Cb 0.70 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 2wd8 h SER 137 CO -0.25 0.71 -0.05 0.15 -1.14 0.00 0.00 176.83 176.24 2wd8 h PHE 138 N 0.93 -0.12 -0.38 3.45 3.57 -0.54 -1.29 116.94 122.56 2wd8 h PHE 138 Ca 0.24 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 2wd8 h PHE 138 Cb 0.05 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 2wd8 h PHE 138 CO -0.00 -0.09 -0.22 0.00 -2.23 0.00 0.00 178.31 175.76 2wd8 h ALA 139 N 1.09 0.53 -0.43 2.41 0.00 -0.79 -3.14 119.26 118.94 2wd8 h ALA 139 Ca 0.07 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.54 2wd8 h ALA 139 Cb 0.14 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2wd8 h ALA 139 CO -0.16 0.51 -0.01 1.96 0.00 0.00 0.00 179.25 181.56 2wd8 h GLN 140 N 0.61 0.69 0.00 0.00 4.20 -0.79 -2.54 115.11 117.29 2wd8 h GLN 140 Ca 0.08 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2wd8 h GLN 140 Cb 0.79 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2wd8 h GLN 140 CO 0.06 0.71 -0.04 0.00 -0.67 0.00 0.00 178.83 178.90 2wd8 h ARG 141 N 0.65 0.00 -7.50 1.46 2.47 -1.20 -3.51 114.38 106.75 2wd8 h ARG 141 Ca 0.13 0.00 -0.42 0.00 -1.26 0.00 0.00 59.98 58.43 2wd8 h ARG 141 Cb 0.41 0.00 0.19 0.00 -1.65 0.00 0.00 29.97 28.92 2wd8 h ARG 141 CO 0.02 0.04 0.20 -0.65 0.56 0.00 0.00 179.97 180.13 2wd8 s GLN 142 N -3.85 -0.94 0.00 0.04 -1.52 -0.96 -5.07 119.66 107.36 2wd8 s GLN 142 Ca -0.01 -0.19 0.00 0.00 -1.95 0.00 0.00 55.36 53.21 2wd8 s GLN 142 Cb 0.11 -1.64 0.00 0.00 -0.22 0.00 0.00 33.01 31.25 2wd8 s GLN 142 CO 0.53 -3.50 0.00 -1.13 -0.25 0.00 0.00 175.29 170.94 2wd8 n SER 152 N -4.58 0.00 -3.89 5.90 3.41 -1.26 -5.16 113.62 108.04 2wd8 n SER 152 Ca 0.14 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.47 2wd8 n SER 152 Cb 0.60 0.00 -0.13 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 4.51 -0.07 4.04 2.47 -1.26 -5.08 114.94 119.55 2wd8 s ASN 153 Ca 0.00 -3.54 -0.23 0.00 0.42 0.00 0.00 52.86 49.51 2wd8 s ASN 153 Cb 0.00 -1.57 -0.04 0.00 -1.45 0.00 0.00 41.25 38.19 2wd8 s ASN 153 CO 0.00 -0.14 0.68 -0.76 -3.72 0.00 0.00 177.10 173.17 2wd8 s LEU 154 N -1.00 4.32 0.21 3.21 1.43 -1.26 -4.78 118.68 120.80 2wd8 s LEU 154 Ca 0.23 1.17 -0.22 0.00 -1.03 0.00 0.00 54.13 54.27 2wd8 s LEU 154 Cb -0.11 -3.06 0.05 0.00 0.03 0.00 0.00 46.19 43.10 2wd8 s LEU 154 CO -0.11 -0.10 0.65 -0.94 0.23 0.00 0.00 176.35 176.08 2wd8 s SER 155 N 0.74 -0.44 -0.04 2.29 1.04 -0.79 -1.90 113.70 114.60 2wd8 s SER 155 Ca 0.37 -0.24 0.04 0.00 0.48 0.00 0.00 55.95 56.59 2wd8 s SER 155 Cb -0.18 0.65 -0.00 0.00 0.10 0.00 0.00 66.02 66.59 2wd8 s SER 155 CO 0.18 -1.11 -0.15 -0.63 0.98 0.00 0.00 173.24 172.51 2wd8 s ILE 156 N -3.81 1.25 -0.14 -1.02 1.01 0.25 -2.15 121.20 116.58 2wd8 s ILE 156 Ca 0.05 -0.61 0.01 0.00 0.00 0.00 0.00 60.65 60.11 2wd8 s ILE 156 Cb -0.03 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.37 2wd8 s ILE 156 CO -0.05 0.37 -0.18 -0.69 0.00 0.00 0.00 174.94 174.39 2wd8 s VAL 157 N 0.14 1.80 -0.17 2.92 1.01 -0.63 -0.54 120.40 124.93 2wd8 s VAL 157 Ca -0.05 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.03 2wd8 s VAL 157 Cb -0.11 -1.64 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 2wd8 s VAL 157 CO 0.02 0.50 0.17 0.20 0.00 0.00 0.00 175.10 175.99 2wd8 s ASN 158 N 1.13 6.31 -0.49 3.32 0.01 0.37 -1.27 114.94 124.32 2wd8 s ASN 158 Ca -0.01 0.36 -0.29 0.00 -0.71 0.00 0.00 52.86 52.21 2wd8 s ASN 158 Cb -0.14 -2.11 0.03 0.00 0.41 0.00 0.00 41.25 39.44 2wd8 s ASN 158 CO -0.07 0.23 1.21 -0.76 -1.51 0.00 0.00 177.10 176.20 2wd8 s LEU 159 N -0.01 3.58 0.00 0.60 2.01 0.31 -1.66 118.68 123.51 2wd8 s LEU 159 Ca 0.12 0.44 0.00 0.00 0.01 0.00 0.00 54.13 54.70 2wd8 s LEU 159 Cb -0.12 -3.45 0.00 0.00 0.01 0.00 0.00 46.19 42.63 2wd8 s LEU 159 CO 0.01 -1.35 0.00 0.00 1.01 0.00 0.00 176.35 176.02 2wd8 s ASP 161 N -0.79 1.93 0.56 0.00 -1.08 -1.26 -4.05 116.67 111.98 2wd8 s ASP 161 Ca 0.00 -0.29 0.25 0.00 -0.52 0.00 0.00 52.55 52.00 2wd8 s ASP 161 Cb 0.00 -0.46 1.57 0.00 -1.46 0.00 0.00 42.92 42.57 2wd8 s ASP 161 CO 0.00 -0.23 2.14 0.00 0.52 0.00 0.00 175.17 177.60 2wd8 h ALA 162 N 8.31 1.86 -0.49 3.66 0.00 -1.00 -2.41 119.26 129.20 2wd8 h ALA 162 Ca -0.18 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wd8 h ALA 162 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2wd8 h ALA 162 CO 0.28 -0.18 0.00 -1.33 0.00 0.00 0.00 179.25 178.02 2wd8 n MET 163 N -4.07 3.15 0.01 0.00 2.81 -1.26 -4.62 117.12 113.14 2wd8 n MET 163 Ca 0.00 -2.19 0.22 0.00 -1.81 0.00 0.00 57.70 53.93 2wd8 n MET 163 Cb 0.23 -1.77 0.73 0.00 -0.71 0.00 0.00 33.22 31.70 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 3.11 0.50 -0.17 2.03 -1.51 -1.83 -1.36 116.25 117.02 2wd8 h VAL 164 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2wd8 h VAL 164 Cb 1.20 0.65 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 2wd8 h VAL 164 CO 0.19 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.00 2wd8 n ASP 165 N -3.99 2.91 -3.36 4.19 8.00 -1.26 -4.35 116.55 118.69 2wd8 n ASP 165 Ca 0.10 -1.87 -0.26 0.00 0.71 0.00 0.00 54.79 53.47 2wd8 n ASP 165 Cb 0.69 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.60 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 1.17 1.76 -1.68 -1.24 6.02 -0.51 -5.12 117.38 117.77 2wd8 n GLN 166 Ca 0.14 -4.09 -0.33 0.00 -0.01 0.00 0.00 57.00 52.71 2wd8 n GLN 166 Cb 0.51 -1.86 0.06 0.00 1.02 0.00 0.00 30.24 29.97 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 -1.88 2.68 0.27 -1.09 0.04 -1.23 -4.92 135.00 128.88 2wd8 s PRO 167 Ca 0.37 1.40 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 2wd8 s PRO 167 Cb 0.14 -1.93 -0.09 0.00 0.04 0.00 0.00 34.50 32.66 2wd8 s PRO 167 CO -0.06 -1.34 0.79 0.00 0.04 0.00 0.00 177.00 176.43 2wd8 n MET 169 N 0.47 1.78 -1.15 0.00 1.56 -1.26 -2.29 117.12 116.23 2wd8 n MET 169 Ca 0.00 0.64 -0.05 0.00 -0.27 0.00 0.00 57.70 58.02 2wd8 n MET 169 Cb 0.51 -2.28 -0.02 0.00 2.15 0.00 0.00 33.22 33.58 2wd8 n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wd8 n ALA 170 N 2.17 -0.08 -1.59 -5.12 0.00 -1.26 -4.92 120.51 109.71 2wd8 n ALA 170 Ca 0.14 0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.52 2wd8 n ALA 170 Cb 0.28 -1.02 0.13 0.00 0.00 0.00 0.00 19.45 18.85 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 -2.59 1.88 -0.04 0.00 3.01 -0.97 -0.78 117.46 117.97 2wd8 n PHE 171 Ca -0.05 -2.00 -0.09 0.00 1.01 0.00 0.00 57.45 56.32 2wd8 n PHE 171 Cb 0.30 -0.61 -0.03 0.00 -0.01 0.00 0.00 39.48 39.13 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 1.46 -0.98 -0.66 4.37 0.02 -1.81 -0.21 113.55 115.75 2wd8 h SER 172 Ca 0.33 0.16 -0.04 0.00 -0.84 0.00 0.00 61.79 61.40 2wd8 h SER 172 Cb 1.52 0.43 -0.03 0.00 0.14 0.00 0.00 62.40 64.46 2wd8 h SER 172 CO 0.68 -0.33 0.27 -0.07 -1.14 0.00 0.00 176.83 176.23 2wd8 h LEU 173 N -0.33 0.91 -0.54 5.07 3.38 -1.90 0.24 115.31 122.13 2wd8 h LEU 173 Ca 0.12 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wd8 h LEU 173 Cb 0.53 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 2wd8 h LEU 173 CO -0.40 0.83 0.36 0.22 0.09 0.00 0.00 178.44 179.53 2wd8 h TYR 174 N 0.93 0.69 -0.58 1.13 3.20 -1.78 -1.39 116.97 119.16 2wd8 h TYR 174 Ca 0.22 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.07 2wd8 h TYR 174 Cb 0.20 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2wd8 h TYR 174 CO 0.01 0.44 0.22 -0.97 -1.64 0.00 0.00 178.16 176.22 2wd8 h ASN 175 N 0.73 0.82 -0.60 -2.11 -0.73 -0.51 -1.39 115.58 111.80 2wd8 h ASN 175 Ca 0.20 -0.18 0.08 0.00 1.87 0.00 0.00 56.30 58.26 2wd8 h ASN 175 Cb -0.08 -0.21 -0.06 0.00 0.27 0.00 0.00 38.32 38.24 2wd8 h ASN 175 CO -0.04 0.78 0.26 0.24 -0.37 0.00 0.00 177.43 178.30 2wd8 h MET 176 N 0.81 0.46 -0.45 6.67 2.86 -0.32 0.77 114.93 125.73 2wd8 h MET 176 Ca 0.19 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 2wd8 h MET 176 Cb 0.23 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.77 2wd8 h MET 176 CO -0.01 0.31 0.08 0.78 1.06 0.00 0.00 176.91 179.13 2wd8 h GLY 177 N 0.48 0.80 1.65 8.32 0.00 -0.95 -0.09 103.07 113.28 2wd8 h GLY 177 Ca 0.29 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 47.03 2wd8 h GLY 177 CO -0.25 0.49 -0.12 0.50 0.00 0.00 0.00 176.54 177.15 2wd8 h LYS 178 N 0.61 0.42 -0.38 4.80 1.79 -1.00 -0.60 116.57 122.21 2wd8 h LYS 178 Ca 0.14 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.37 2wd8 h LYS 178 Cb 0.37 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2wd8 h LYS 178 CO 0.01 0.55 -0.24 0.45 -1.08 0.00 0.00 179.45 179.14 2wd8 h HIS 179 N 0.39 0.97 -0.60 -1.35 3.86 -0.49 -2.69 115.15 115.25 2wd8 h HIS 179 Ca 0.08 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.02 2wd8 h HIS 179 Cb 0.46 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2wd8 h HIS 179 CO 0.01 1.03 0.33 0.00 0.86 0.00 0.00 177.93 180.16 2wd8 h ALA 180 N 0.79 1.46 -0.94 2.45 0.00 -0.80 -2.03 119.26 120.20 2wd8 h ALA 180 Ca 0.08 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wd8 h ALA 180 Cb 0.80 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 2wd8 h ALA 180 CO 0.07 0.45 0.62 1.25 0.00 0.00 0.00 179.25 181.63 2wd8 h LEU 181 N 0.83 1.05 -0.55 0.00 5.85 -0.89 -0.46 115.31 121.13 2wd8 h LEU 181 Ca 0.21 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.88 2wd8 h LEU 181 Cb 0.01 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 2wd8 h LEU 181 CO -0.04 0.74 0.21 0.58 -0.34 0.00 0.00 178.44 179.59 2wd8 h VAL 182 N 1.22 1.22 -0.75 1.05 2.07 -1.05 -1.21 116.25 118.81 2wd8 h VAL 182 Ca 0.36 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 2wd8 h VAL 182 Cb -0.06 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wd8 h VAL 182 CO -0.10 0.27 0.26 1.23 0.02 0.00 0.00 177.57 179.25 2wd8 h GLY 183 N 0.75 1.22 0.91 2.17 0.00 -1.20 -1.56 103.07 105.36 2wd8 h GLY 183 Ca 0.18 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 2wd8 h GLY 183 CO -0.01 0.65 0.08 -2.00 0.00 0.00 0.00 176.54 175.26 2wd8 h LEU 184 N 1.10 0.52 -0.50 3.11 5.85 -0.97 0.35 115.31 124.77 2wd8 h LEU 184 Ca 0.24 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 58.82 2wd8 h LEU 184 Cb 0.27 -0.14 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 2wd8 h LEU 184 CO -0.01 0.62 0.07 0.74 -0.34 0.00 0.00 178.44 179.52 2wd8 h THR 185 N 0.39 0.69 -0.08 1.05 2.02 -0.98 0.57 112.91 116.57 2wd8 h THR 185 Ca 0.11 -0.07 -0.19 0.00 0.77 0.00 0.00 66.41 67.02 2wd8 h THR 185 Cb 0.31 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2wd8 h THR 185 CO 0.00 0.04 -0.70 1.56 0.37 0.00 0.00 175.52 176.79 2wd8 h GLN 186 N 0.20 0.61 -0.28 6.66 4.20 -1.21 -1.46 115.11 123.82 2wd8 h GLN 186 Ca 0.25 -0.56 -0.05 0.00 0.06 0.00 0.00 58.65 58.36 2wd8 h GLN 186 Cb 0.35 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2wd8 h GLN 186 CO -0.35 1.17 -0.01 0.77 -0.67 0.00 0.00 178.83 179.74 2wd8 h SER 187 N 0.25 0.50 -0.48 1.46 0.02 -0.76 -2.57 113.55 111.96 2wd8 h SER 187 Ca -0.07 -0.32 -0.11 0.00 -0.84 0.00 0.00 61.79 60.46 2wd8 h SER 187 Cb 1.36 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.75 2wd8 h SER 187 CO 0.14 0.69 -0.14 0.00 -1.14 0.00 0.00 176.83 176.39 2wd8 h ALA 188 N 0.82 0.66 -0.46 3.77 0.00 -0.97 -0.47 119.26 122.60 2wd8 h ALA 188 Ca 0.08 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.73 2wd8 h ALA 188 Cb 0.45 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 2wd8 h ALA 188 CO 0.02 0.58 -0.05 0.00 0.00 0.00 0.00 179.25 179.80 2wd8 h ALA 189 N 0.88 0.38 -0.04 0.00 0.00 -1.24 0.20 119.26 119.44 2wd8 h ALA 189 Ca 0.12 0.16 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wd8 h ALA 189 Cb 0.70 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2wd8 h ALA 189 CO 0.05 -0.42 0.01 1.25 0.00 0.00 0.00 179.25 180.15 2wd8 h LEU 190 N 0.06 0.07 -0.58 0.00 7.12 -1.25 -2.25 115.31 118.48 2wd8 h LEU 190 Ca 0.23 -0.21 -0.16 0.00 0.13 0.00 0.00 57.88 57.87 2wd8 h LEU 190 Cb 0.35 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.45 2wd8 h LEU 190 CO -0.42 0.26 -0.60 -0.08 -0.13 0.00 0.00 178.44 177.47 2wd8 h GLU 191 N -0.13 0.38 -0.00 1.25 4.81 -0.95 -3.29 114.58 116.65 2wd8 h GLU 191 Ca 0.01 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 2wd8 h GLU 191 Cb 0.22 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2wd8 h GLU 191 CO -0.00 0.86 -0.59 1.28 -0.73 0.00 0.00 179.01 179.83 2wd8 n LEU 192 N -3.90 0.64 -0.31 1.64 4.77 0.69 -4.26 117.00 116.26 2wd8 n LEU 192 Ca -0.03 -0.12 0.01 0.00 -0.03 0.00 0.00 56.01 55.84 2wd8 n LEU 192 Cb 0.62 -0.19 0.19 0.00 -2.33 0.00 0.00 43.42 41.71 2wd8 n LEU 192 CO 0.46 0.16 1.27 0.00 -1.33 0.00 0.00 177.39 177.94 2wd8 h ALA 193 N 3.04 1.42 -0.04 -1.18 0.00 -1.47 -1.32 119.26 119.71 2wd8 h ALA 193 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wd8 h ALA 193 Cb 0.50 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wd8 h ALA 193 CO 0.00 0.49 0.05 -1.35 0.00 0.00 0.00 179.25 178.45 2wd8 h PRO 194 N 1.15 0.00 -0.19 0.00 0.11 -1.79 -1.51 132.00 129.77 2wd8 h PRO 194 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 2wd8 h PRO 194 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 2wd8 h PRO 194 CO -0.11 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.34 2wd8 n TYR 195 N -3.66 0.24 -1.18 0.65 4.02 -0.56 -4.93 117.16 111.74 2wd8 n TYR 195 Ca -0.02 -0.12 -0.06 0.00 -0.01 0.00 0.00 57.90 57.69 2wd8 n TYR 195 Cb 0.14 0.00 -0.03 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 1.22 0.84 3.61 2.72 0.00 -0.57 -5.01 105.19 108.00 2wd8 n GLY 196 Ca 0.17 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.18 5.17 0.26 -0.61 1.01 -0.85 -4.39 121.20 119.61 2wd8 s ILE 197 Ca 0.00 0.60 -0.14 0.00 0.00 0.00 0.00 60.65 61.11 2wd8 s ILE 197 Cb 0.00 -3.71 -0.08 0.00 0.01 0.00 0.00 42.46 38.68 2wd8 s ILE 197 CO 0.00 0.16 0.66 -0.13 0.00 0.00 0.00 174.94 175.63 2wd8 s ARG 198 N 2.03 3.98 -0.07 2.79 0.52 -0.80 -3.67 118.95 123.73 2wd8 s ARG 198 Ca 0.16 0.56 -0.02 0.00 -0.52 0.00 0.00 55.73 55.91 2wd8 s ARG 198 Cb -0.16 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.73 2wd8 s ARG 198 CO 0.10 0.28 0.05 0.08 0.02 0.00 0.00 175.30 175.83 2wd8 s VAL 199 N -1.80 0.02 0.32 3.52 1.01 -1.26 -0.59 120.40 121.62 2wd8 s VAL 199 Ca 0.48 0.25 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2wd8 s VAL 199 Cb -0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 2wd8 s VAL 199 CO 0.19 0.12 0.19 0.20 0.00 0.00 0.00 175.10 175.80 2wd8 s ASN 200 N 2.11 1.62 0.06 3.32 0.01 0.30 -0.24 114.94 122.13 2wd8 s ASN 200 Ca 0.04 -1.62 0.02 0.00 -0.71 0.00 0.00 52.86 50.59 2wd8 s ASN 200 Cb -0.13 0.46 -0.03 0.00 0.41 0.00 0.00 41.25 41.96 2wd8 s ASN 200 CO -0.04 -0.94 -0.08 -0.83 -1.51 0.00 0.00 177.10 173.70 2wd8 s GLY 201 N -3.39 0.61 -0.10 0.66 0.00 0.21 -0.48 107.32 104.84 2wd8 s GLY 201 Ca 0.36 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2wd8 s GLY 201 CO 0.20 -1.05 -0.17 0.14 0.00 0.00 0.00 173.10 172.22 2wd8 s VAL 202 N -2.18 1.57 -0.39 1.40 1.01 -0.67 -1.18 120.40 119.96 2wd8 s VAL 202 Ca -0.02 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.29 2wd8 s VAL 202 Cb -0.05 -1.41 0.11 0.00 0.00 0.00 0.00 36.38 35.03 2wd8 s VAL 202 CO -0.01 0.45 0.12 0.00 0.00 0.00 0.00 175.10 175.66 2wd8 s ALA 203 N 0.77 2.92 0.67 5.51 0.00 0.07 -0.40 121.76 131.29 2wd8 s ALA 203 Ca -0.11 -2.70 -0.14 0.00 0.00 0.00 0.00 51.96 49.01 2wd8 s ALA 203 Cb -0.16 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2wd8 s ALA 203 CO 0.02 -1.79 1.09 -2.14 0.00 0.00 0.00 175.76 172.94 2wd8 s PRO 204 N 0.59 2.83 0.00 0.00 0.02 -1.26 -0.38 135.00 136.80 2wd8 s PRO 204 Ca 0.13 1.29 0.00 0.00 0.02 0.00 0.00 61.00 62.44 2wd8 s PRO 204 Cb -0.21 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2wd8 s PRO 204 CO -0.06 -1.22 0.00 0.41 -0.33 0.00 0.00 177.00 175.80 2wd8 n GLY 205 N -0.81 -0.06 3.17 0.52 0.00 -1.23 -0.59 105.19 106.19 2wd8 n GLY 205 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 2wd8 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wd8 s VAL 206 N 0.00 2.03 0.00 1.61 1.01 -1.26 -4.86 120.40 118.93 2wd8 s VAL 206 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2wd8 s VAL 206 Cb 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 36.38 34.59 2wd8 s VAL 206 CO 0.00 0.55 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 2wd8 n SER 207 N 3.98 0.00 -4.67 3.32 2.88 -1.26 -0.94 113.62 116.92 2wd8 n SER 207 Ca -0.20 0.00 -0.52 0.00 -1.33 0.00 0.00 58.87 56.82 2wd8 n SER 207 Cb 0.52 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.92 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 2.67 -4.83 2.46 4.77 -1.22 -4.57 117.00 116.29 2wd8 n LEU 208 Ca 0.00 1.05 -0.30 0.00 -0.03 0.00 0.00 56.01 56.73 2wd8 n LEU 208 Cb 0.00 -1.27 0.08 0.00 -2.33 0.00 0.00 43.42 39.90 2wd8 n LEU 208 CO 0.00 -0.42 0.72 -0.76 -1.33 0.00 0.00 177.39 175.61 2wd8 s LEU 209 N 2.67 2.72 0.47 2.23 2.01 -1.26 -4.99 118.68 122.53 2wd8 s LEU 209 Ca 0.91 1.28 -0.24 0.00 0.01 0.00 0.00 54.13 56.08 2wd8 s LEU 209 Cb -0.87 -3.96 -0.07 0.00 0.01 0.00 0.00 46.19 41.30 2wd8 s LEU 209 CO 0.53 -1.75 1.37 -2.84 1.01 0.00 0.00 176.35 174.67 2wd8 s PRO 210 N -5.21 3.60 0.35 1.29 0.02 -1.26 -4.89 135.00 128.90 2wd8 s PRO 210 Ca 0.60 2.29 0.08 0.00 0.02 0.00 0.00 61.00 63.99 2wd8 s PRO 210 Cb -0.13 -2.56 0.79 0.00 0.02 0.00 0.00 34.50 32.62 2wd8 s PRO 210 CO 0.54 -0.84 1.89 -0.39 -0.33 0.00 0.00 177.00 177.86 2wd8 h VAL 211 N 2.09 0.88 0.00 3.83 -1.51 -2.04 -1.95 116.25 117.55 2wd8 h VAL 211 Ca -0.51 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.72 2wd8 h VAL 211 Cb 1.27 0.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.52 2wd8 h VAL 211 CO 0.60 0.13 -0.10 0.00 -1.23 0.00 0.00 177.57 176.98 2wd8 h ALA 212 N 1.59 0.94 -2.56 5.19 0.00 -2.05 -3.46 119.26 118.92 2wd8 h ALA 212 Ca 0.42 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.81 2wd8 h ALA 212 Cb 0.62 0.00 0.04 0.00 0.00 0.00 0.00 17.79 18.45 2wd8 h ALA 212 CO -0.19 0.00 0.97 1.41 0.00 0.00 0.00 179.25 181.45 2wd8 s MET 213 N -3.13 4.18 0.72 0.00 0.00 -0.74 -5.00 119.30 115.33 2wd8 s MET 213 Ca 0.09 2.44 -0.15 0.00 0.00 0.00 0.00 55.69 58.08 2wd8 s MET 213 Cb 0.11 -3.31 0.03 0.00 0.00 0.00 0.00 34.83 31.66 2wd8 s MET 213 CO 0.63 -0.70 1.17 0.20 0.00 0.00 0.00 175.02 176.32 2wd8 s GLY 214 N 1.70 2.25 0.15 2.11 0.00 -1.26 -4.86 107.32 107.41 2wd8 s GLY 214 Ca 0.74 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 46.05 2wd8 s GLY 214 CO 0.32 1.15 1.75 -2.09 0.00 0.00 0.00 173.10 174.24 2wd8 h GLU 215 N -0.28 0.25 -0.99 2.90 4.57 -1.99 -1.42 114.58 117.62 2wd8 h GLU 215 Ca -0.47 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 57.70 2wd8 h GLU 215 Cb 1.28 -0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 29.76 2wd8 h GLU 215 CO 0.51 0.17 0.65 1.49 -1.18 0.00 0.00 179.01 180.65 2wd8 h GLU 216 N 0.26 1.31 -0.57 1.92 4.81 -2.00 -0.81 114.58 119.51 2wd8 h GLU 216 Ca 0.15 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2wd8 h GLU 216 Cb 0.12 -0.29 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 2wd8 h GLU 216 CO -0.15 0.87 0.09 1.49 -0.73 0.00 0.00 179.01 180.58 2wd8 h GLU 217 N 1.35 0.94 -0.76 1.92 4.81 -1.92 -2.93 114.58 117.99 2wd8 h GLU 217 Ca 0.36 -0.25 0.10 0.00 -0.13 0.00 0.00 59.36 59.44 2wd8 h GLU 217 Cb -0.15 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 29.05 2wd8 h GLU 217 CO -0.08 0.90 0.39 0.87 -0.73 0.00 0.00 179.01 180.37 2wd8 h LYS 218 N 0.83 0.64 -0.38 1.92 1.57 -0.10 -2.95 116.57 118.10 2wd8 h LYS 218 Ca 0.17 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2wd8 h LYS 218 Cb 0.42 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2wd8 h LYS 218 CO 0.01 0.42 0.01 -0.44 -0.57 0.00 0.00 179.45 178.88 2wd8 h ASP 219 N 0.66 0.65 -0.95 0.86 3.32 -1.19 -0.87 116.42 118.90 2wd8 h ASP 219 Ca 0.37 -0.30 0.25 0.00 0.02 0.00 0.00 57.03 57.37 2wd8 h ASP 219 Cb 0.39 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 39.64 2wd8 h ASP 219 CO -0.27 0.80 0.49 0.50 -1.72 0.00 0.00 179.24 179.03 2wd8 h LYS 220 N 0.49 0.43 0.12 3.56 3.64 -1.38 -1.14 116.57 122.30 2wd8 h LYS 220 Ca 0.11 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.30 2wd8 h LYS 220 Cb 0.46 -0.10 0.02 0.00 -0.41 0.00 0.00 32.23 32.20 2wd8 h LYS 220 CO 0.02 0.28 -0.74 -1.49 -2.27 0.00 0.00 179.45 175.25 2wd8 h TRP 221 N 0.44 0.47 -0.77 1.91 4.06 -1.31 -3.33 115.95 117.42 2wd8 h TRP 221 Ca 0.62 -0.35 0.17 0.00 2.06 0.00 0.00 58.89 61.39 2wd8 h TRP 221 Cb 1.23 -0.02 -0.11 0.00 -1.00 0.00 0.00 29.16 29.26 2wd8 h TRP 221 CO -0.07 1.28 0.24 0.00 -3.56 0.00 0.00 178.44 176.33 2wd8 h ARG 222 N -0.45 0.32 0.00 0.49 3.08 -0.96 -2.34 114.38 114.53 2wd8 h ARG 222 Ca -0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.90 2wd8 h ARG 222 Cb 1.57 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.55 2wd8 h ARG 222 CO 0.13 0.21 0.00 0.54 -1.07 0.00 0.00 179.97 179.78 2wd8 n ARG 223 N -5.10 0.11 0.11 0.04 1.74 -0.45 -1.73 116.66 111.38 2wd8 n ARG 223 Ca 0.16 0.53 0.12 0.00 -0.77 0.00 0.00 57.85 57.89 2wd8 n ARG 223 Cb 0.48 -1.80 0.21 0.00 -1.02 0.00 0.00 32.46 30.33 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 -6.31 5.56 1.57 -1.57 -3.45 116.57 112.37 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 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2wd8 h LYS 224 CO 0.00 0.00 0.97 0.08 -0.57 0.00 0.00 179.45 179.93 2wd8 s VAL 225 N -3.18 4.13 0.29 0.50 1.01 -0.70 -4.80 120.40 117.63 2wd8 s VAL 225 Ca 0.07 1.29 -0.01 0.00 0.00 0.00 0.00 61.98 63.33 2wd8 s VAL 225 Cb 0.11 -4.09 0.28 0.00 0.00 0.00 0.00 36.38 32.68 2wd8 s VAL 225 CO 0.69 -0.40 1.91 -0.65 0.00 0.00 0.00 175.10 176.64 2wd8 h PRO 226 N 9.22 1.07 -5.08 2.72 0.11 -1.84 -2.35 132.00 135.84 2wd8 h PRO 226 Ca -0.27 -0.06 -0.70 0.00 0.11 0.00 0.00 66.00 65.07 2wd8 h PRO 226 Cb 1.10 -0.24 -0.16 0.00 0.11 0.00 0.00 31.00 31.81 2wd8 h PRO 226 CO 1.02 0.71 1.29 -1.17 -0.21 0.00 0.00 178.00 179.63 2wd8 s LEU 227 N -10.06 4.78 0.00 2.35 2.96 -0.53 -4.27 118.68 113.92 2wd8 s LEU 227 Ca -0.12 -2.49 0.00 0.00 -0.22 0.00 0.00 54.13 51.31 2wd8 s LEU 227 Cb 0.20 -2.43 0.00 0.00 0.50 0.00 0.00 46.19 44.45 2wd8 s LEU 227 CO 0.80 -0.96 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 2wd8 n GLY 228 N 4.95 0.78 3.83 7.98 0.00 -1.26 -4.34 105.19 117.13 2wd8 n GLY 228 Ca 0.34 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.11 2wd8 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd8 n ARG 229 N -2.00 -4.68 -3.77 1.61 5.12 -0.88 -4.97 116.66 107.09 2wd8 n ARG 229 Ca 0.00 0.56 -0.10 0.00 -1.93 0.00 0.00 57.85 56.38 2wd8 n ARG 229 Cb 0.00 -5.13 -0.06 0.00 -1.16 0.00 0.00 32.46 26.11 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 -6.29 0.90 0.63 5.56 1.70 -1.20 -4.31 118.95 115.94 2wd8 s ARG 230 Ca 0.20 -0.79 -0.12 0.00 -0.47 0.00 0.00 55.73 54.55 2wd8 s ARG 230 Cb -0.10 0.38 -0.02 0.00 -0.57 0.00 0.00 34.95 34.63 2wd8 s ARG 230 CO 0.84 -0.31 1.04 -1.83 -1.08 0.00 0.00 175.30 173.96 2wd8 s GLU 231 N -3.55 3.32 0.32 3.89 1.03 -1.26 -4.85 118.70 117.60 2wd8 s GLU 231 Ca 0.02 0.94 -0.29 0.00 0.03 0.00 0.00 54.97 55.67 2wd8 s GLU 231 Cb 0.03 -2.04 -0.10 0.00 -0.80 0.00 0.00 34.13 31.21 2wd8 s GLU 231 CO -0.10 -0.79 1.29 0.00 -1.33 0.00 0.00 175.26 174.33 2wd8 s ALA 232 N -2.93 3.49 0.62 -0.84 0.00 -0.12 -4.93 121.76 117.05 2wd8 s ALA 232 Ca 0.58 1.23 -0.14 0.00 0.00 0.00 0.00 51.96 53.63 2wd8 s ALA 232 Cb -0.13 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.50 2wd8 s ALA 232 CO 0.49 -0.60 1.05 -1.54 0.00 0.00 0.00 175.76 175.15 2wd8 s SER 233 N -0.47 5.81 0.45 0.00 1.04 -1.26 -3.39 113.70 115.87 2wd8 s SER 233 Ca 0.49 1.68 0.11 0.00 0.48 0.00 0.00 55.95 58.71 2wd8 s SER 233 Cb -0.39 -2.51 1.02 0.00 0.10 0.00 0.00 66.02 64.24 2wd8 s SER 233 CO 0.51 -1.15 2.07 0.00 0.98 0.00 0.00 173.24 175.65 2wd8 h ALA 234 N 0.04 1.79 -0.46 5.32 0.00 -1.95 -2.46 119.26 121.53 2wd8 h ALA 234 Ca -0.45 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2wd8 h ALA 234 Cb 1.21 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2wd8 h ALA 234 CO 0.58 0.17 -0.10 1.49 0.00 0.00 0.00 179.25 181.40 2wd8 h GLU 235 N 0.25 0.87 -0.67 0.00 4.81 -1.92 -1.16 114.58 116.78 2wd8 h GLU 235 Ca 0.07 -0.33 0.03 0.00 -0.13 0.00 0.00 59.36 59.00 2wd8 h GLU 235 Cb 0.05 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 2wd8 h GLU 235 CO -0.01 0.97 0.41 1.96 -0.73 0.00 0.00 179.01 181.61 2wd8 h GLN 236 N 0.71 0.79 0.05 1.92 4.20 -1.83 0.33 115.11 121.28 2wd8 h GLN 236 Ca 0.12 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 2wd8 h GLN 236 Cb 0.64 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.24 2wd8 h GLN 236 CO 0.04 0.52 -0.03 0.82 -0.67 0.00 0.00 178.83 179.52 2wd8 h ILE 237 N 0.81 1.01 -0.88 2.54 1.08 -1.41 -3.12 117.51 117.54 2wd8 h ILE 237 Ca 0.27 -0.21 0.13 0.00 -0.39 0.00 0.00 64.86 64.66 2wd8 h ILE 237 Cb 0.03 1.16 -0.09 0.00 -3.07 0.00 0.00 36.82 34.84 2wd8 h ILE 237 CO -0.11 0.05 0.50 0.00 -0.69 0.00 0.00 178.15 177.90 2wd8 h ALA 238 N 0.78 1.33 -0.95 1.87 0.00 -0.72 -2.23 119.26 119.33 2wd8 h ALA 238 Ca -0.01 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.10 2wd8 h ALA 238 Cb 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2wd8 h ALA 238 CO 0.01 0.02 0.58 -0.44 0.00 0.00 0.00 179.25 179.41 2wd8 h ASP 239 N 0.74 0.80 -0.36 0.00 3.32 -0.30 -0.06 116.42 120.56 2wd8 h ASP 239 Ca 0.46 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.43 2wd8 h ASP 239 Cb 0.57 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2wd8 h ASP 239 CO -0.32 0.39 -0.33 0.00 -1.72 0.00 0.00 179.24 177.26 2wd8 h ALA 240 N 1.55 0.53 -0.44 3.45 0.00 -1.41 -1.64 119.26 121.30 2wd8 h ALA 240 Ca 0.49 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wd8 h ALA 240 Cb 0.58 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 2wd8 h ALA 240 CO -0.30 0.59 0.26 0.28 0.00 0.00 0.00 179.25 180.08 2wd8 h VAL 241 N 0.66 1.14 -0.38 0.00 2.07 -1.10 -2.29 116.25 116.34 2wd8 h VAL 241 Ca 0.06 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.33 2wd8 h VAL 241 Cb 0.92 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2wd8 h VAL 241 CO 0.08 0.14 0.11 0.40 0.02 0.00 0.00 177.57 178.32 2wd8 h ILE 242 N 0.58 0.86 -0.09 4.57 1.08 -0.95 -1.30 117.51 122.25 2wd8 h ILE 242 Ca 0.16 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.57 2wd8 h ILE 242 Cb -0.01 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.28 2wd8 h ILE 242 CO -0.03 0.05 -0.13 0.15 -0.69 0.00 0.00 178.15 177.50 2wd8 h PHE 243 N 0.26 -0.33 -0.34 1.37 3.57 -1.17 -1.54 116.94 118.77 2wd8 h PHE 243 Ca 0.18 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.72 2wd8 h PHE 243 Cb 0.18 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 2wd8 h PHE 243 CO -0.16 -0.19 0.22 -0.07 -2.23 0.00 0.00 178.31 175.88 2wd8 h LEU 244 N -0.17 0.29 0.00 0.59 3.38 -0.90 -2.01 115.31 116.49 2wd8 h LEU 244 Ca 0.08 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2wd8 h LEU 244 Cb 0.28 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wd8 h LEU 244 CO -0.19 0.20 -0.56 -0.37 0.09 0.00 0.00 178.44 177.61 2wd8 h VAL 245 N 0.34 0.31 -4.04 1.22 -1.51 -0.90 -3.44 116.25 108.23 2wd8 h VAL 245 Ca 0.14 -1.48 -0.48 0.00 -1.23 0.00 0.00 66.70 63.64 2wd8 h VAL 245 Cb 0.13 2.02 0.15 0.00 -2.13 0.00 0.00 31.29 31.45 2wd8 h VAL 245 CO -0.03 0.18 0.24 -0.94 -1.23 0.00 0.00 177.57 175.78 2wd8 s SER 246 N -6.04 3.30 0.02 4.19 1.04 -0.61 -4.92 113.70 110.68 2wd8 s SER 246 Ca 0.03 1.49 0.08 0.00 0.48 0.00 0.00 55.95 58.04 2wd8 s SER 246 Cb 0.07 -2.17 0.37 0.00 0.10 0.00 0.00 66.02 64.39 2wd8 s SER 246 CO 0.74 -2.75 1.27 0.61 0.98 0.00 0.00 173.24 174.09 2wd8 n GLY 247 N -1.00 -0.78 0.01 7.32 0.00 -1.26 -2.13 105.19 107.36 2wd8 n GLY 247 Ca 0.07 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.56 0.10 -0.73 1.61 7.64 -1.26 -3.19 113.62 116.23 2wd8 n SER 248 Ca 0.02 0.51 0.04 0.00 1.01 0.00 0.00 58.87 60.45 2wd8 n SER 248 Cb 0.09 -0.54 0.19 0.00 -1.01 0.00 0.00 64.21 62.94 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 -1.54 3.73 0.28 -0.43 0.00 -0.91 -4.88 120.51 116.77 2wd8 n ALA 249 Ca 0.06 -3.32 0.17 0.00 0.00 0.00 0.00 53.44 50.36 2wd8 n ALA 249 Cb 0.32 -0.36 0.95 0.00 0.00 0.00 0.00 19.45 20.36 2wd8 n ALA 249 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2wd8 h GLN 250 N 1.08 0.00 -0.01 0.00 3.07 -1.68 -2.26 115.11 115.31 2wd8 h GLN 250 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.76 2wd8 h GLN 250 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.62 2wd8 h GLN 250 CO 0.06 0.00 -0.42 0.98 0.09 0.00 0.00 178.83 179.54 2wd8 n TYR 251 N -3.67 0.00 -3.02 0.06 9.36 -1.26 -4.93 117.16 113.70 2wd8 n TYR 251 Ca -0.02 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.79 2wd8 n TYR 251 Cb 0.15 0.00 -0.06 0.00 -0.63 0.00 0.00 39.34 38.80 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 -2.13 4.87 -0.11 2.97 1.01 -0.85 -5.03 121.20 121.92 2wd8 s ILE 252 Ca 0.14 1.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.77 2wd8 s ILE 252 Cb 0.14 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.57 2wd8 s ILE 252 CO 0.48 -0.18 0.28 0.28 0.00 0.00 0.00 174.94 175.81 2wd8 s THR 253 N 2.78 -0.00 -0.06 2.92 -1.32 -1.26 -4.71 115.64 113.99 2wd8 s THR 253 Ca 0.29 0.01 0.00 0.00 -1.21 0.00 0.00 61.69 60.78 2wd8 s THR 253 Cb -0.15 -0.40 0.00 0.00 -1.51 0.00 0.00 72.50 70.44 2wd8 s THR 253 CO 0.12 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 2wd8 n GLY 254 N 3.00 0.47 3.85 6.08 0.00 0.66 -4.96 105.19 114.29 2wd8 n GLY 254 Ca -0.13 -0.19 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.19 6.55 -0.33 1.61 0.01 -1.26 -4.85 113.70 113.24 2wd8 s SER 255 Ca 0.00 0.65 -0.02 0.00 1.31 0.00 0.00 55.95 57.89 2wd8 s SER 255 Cb 0.00 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.15 2wd8 s SER 255 CO 0.00 0.35 0.06 -0.63 0.41 0.00 0.00 173.24 173.43 2wd8 s ILE 256 N -0.92 3.13 -0.48 1.44 1.01 -1.26 -0.62 121.20 123.50 2wd8 s ILE 256 Ca 0.18 -1.55 -0.26 0.00 0.00 0.00 0.00 60.65 59.02 2wd8 s ILE 256 Cb -0.14 -2.89 0.03 0.00 0.01 0.00 0.00 42.46 39.47 2wd8 s ILE 256 CO 0.07 -0.27 0.98 -0.63 0.00 0.00 0.00 174.94 175.10 2wd8 s ILE 257 N 1.23 4.39 0.21 2.92 1.01 -0.33 -4.89 121.20 125.74 2wd8 s ILE 257 Ca -0.01 0.79 -0.31 0.00 0.00 0.00 0.00 60.65 61.12 2wd8 s ILE 257 Cb -0.20 -4.50 -0.10 0.00 0.01 0.00 0.00 42.46 37.67 2wd8 s ILE 257 CO -0.02 -0.93 1.51 -0.54 0.00 0.00 0.00 174.94 174.96 2wd8 s LYS 258 N 3.98 4.24 -0.63 2.79 1.02 -1.26 -0.75 119.74 129.12 2wd8 s LYS 258 Ca 0.39 2.34 0.05 0.00 0.02 0.00 0.00 55.97 58.77 2wd8 s LYS 258 Cb -0.10 -3.13 0.20 0.00 -0.52 0.00 0.00 37.83 34.28 2wd8 s LYS 258 CO 0.27 -0.52 0.55 0.28 -0.92 0.00 0.00 175.35 175.01 2wd8 n VAL 259 N 3.11 1.33 -0.60 3.17 0.31 0.49 -4.86 118.33 121.28 2wd8 n VAL 259 Ca 0.10 -4.73 0.00 0.00 -0.01 0.00 0.00 64.34 59.70 2wd8 n VAL 259 Cb 0.39 -2.08 0.01 0.00 -0.91 0.00 0.00 33.84 31.25 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 1.72 0.97 -2.20 4.52 5.75 -1.26 -3.52 116.55 122.54 2wd8 n ASP 260 Ca 0.24 -1.56 -0.08 0.00 -0.01 0.00 0.00 54.79 53.38 2wd8 n ASP 260 Cb 0.40 -0.02 -0.01 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 -0.27 -0.24 1.79 6.12 0.00 -1.26 -1.21 105.19 110.11 2wd8 n GLY 261 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.57 0.71 0.25 -0.02 0.00 -1.26 -1.45 105.19 102.84 2wd8 n GLY 262 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.22 -2.63 0.99 5.85 -1.47 -1.89 115.31 115.94 2wd8 h LEU 263 Ca 0.00 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2wd8 h LEU 263 Cb 0.00 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.30 2wd8 h LEU 263 CO 0.00 -0.11 0.00 0.77 -0.34 0.00 0.00 178.44 178.76 2wd8 h SER 264 N 0.15 0.00 0.30 1.25 4.64 -1.87 -2.16 113.55 115.86 2wd8 h SER 264 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2wd8 h SER 264 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2wd8 h SER 264 CO -0.55 0.00 -0.21 0.18 -0.87 0.00 0.00 176.83 175.38 2wd8 n LEU 265 N -2.99 0.79 -4.60 5.97 4.77 -0.71 -4.86 117.00 115.37 2wd8 n LEU 265 Ca -0.02 -0.14 -0.42 0.00 -0.03 0.00 0.00 56.01 55.40 2wd8 n LEU 265 Cb 0.10 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 40.98 2wd8 n LEU 265 CO 0.20 0.15 0.55 -0.69 -1.33 0.00 0.00 177.39 176.27 2wd8 s VAL 266 N -2.52 4.80 0.94 4.08 1.01 -0.81 -5.06 120.40 122.83 2wd8 s VAL 266 Ca 0.25 1.03 -0.12 0.00 0.00 0.00 0.00 61.98 63.14 2wd8 s VAL 266 Cb 0.19 -4.14 0.15 0.00 0.00 0.00 0.00 36.38 32.58 2wd8 s VAL 266 CO 0.51 -0.29 1.11 -1.38 0.00 0.00 0.00 175.10 175.05 2wd8 s HIS 267 N 2.94 2.34 -1.55 5.22 -3.43 -1.26 -5.09 115.29 114.46 2wd8 s HIS 267 Ca 0.31 1.01 0.00 0.00 -0.80 0.00 0.00 55.06 55.57 2wd8 s HIS 267 Cb -0.14 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.74 2wd8 s HIS 267 CO 0.14 -2.54 0.39 0.00 -2.00 0.00 0.00 174.74 170.72