#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wd7 s ALA 3 N 0.00 3.49 0.99 -1.84 0.00 -1.26 -5.03 121.76 118.10 2wd7 s ALA 3 Ca 0.00 1.12 -0.12 0.00 0.00 0.00 0.00 51.96 52.95 2wd7 s ALA 3 Cb 0.00 -3.44 0.18 0.00 0.00 0.00 0.00 23.12 19.86 2wd7 s ALA 3 CO 0.00 -0.49 1.09 -1.25 0.00 0.00 0.00 175.76 175.11 2wd7 s PRO 4 N -1.06 0.53 0.03 0.00 0.04 -1.26 -4.77 135.00 128.52 2wd7 s PRO 4 Ca 0.51 0.54 0.04 0.00 0.04 0.00 0.00 61.00 62.13 2wd7 s PRO 4 Cb -0.37 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.41 2wd7 s PRO 4 CO 0.44 -2.67 -0.12 0.00 0.04 0.00 0.00 177.00 174.70 2wd7 s ALA 5 N -2.97 0.99 0.02 8.56 0.00 -1.26 -0.74 121.76 126.35 2wd7 s ALA 5 Ca 0.65 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.96 2wd7 s ALA 5 Cb -0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2wd7 s ALA 5 CO 0.57 0.18 -0.16 0.00 0.00 0.00 0.00 175.76 176.35 2wd7 s ALA 6 N -0.74 1.34 -0.20 0.00 0.00 0.54 -0.83 121.76 121.87 2wd7 s ALA 6 Ca 0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.06 2wd7 s ALA 6 Cb -0.07 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.73 2wd7 s ALA 6 CO 0.01 0.29 0.11 0.08 0.00 0.00 0.00 175.76 176.25 2wd7 s VAL 7 N -0.66 5.18 -0.18 0.00 1.01 0.42 -0.74 120.40 125.43 2wd7 s VAL 7 Ca 0.05 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2wd7 s VAL 7 Cb -0.07 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 32.97 2wd7 s VAL 7 CO 0.01 0.44 -0.15 -0.69 0.00 0.00 0.00 175.10 174.70 2wd7 s VAL 8 N 0.45 1.83 0.41 2.92 1.01 -0.80 -0.31 120.40 125.92 2wd7 s VAL 8 Ca 0.06 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 2wd7 s VAL 8 Cb -0.12 -1.75 -0.11 0.00 0.00 0.00 0.00 36.38 34.40 2wd7 s VAL 8 CO -0.01 0.38 0.91 0.42 0.00 0.00 0.00 175.10 176.81 2wd7 s THR 9 N 1.35 4.44 -1.40 3.92 -4.23 -0.59 -1.88 115.64 117.26 2wd7 s THR 9 Ca 0.02 1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 61.88 2wd7 s THR 9 Cb -0.14 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.12 2wd7 s THR 9 CO -0.11 -0.29 0.74 0.61 -0.54 0.00 0.00 174.62 175.04 2wd7 n GLY 10 N -0.58 -0.34 0.76 3.99 0.00 -1.12 -2.89 105.19 105.00 2wd7 n GLY 10 Ca 0.06 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.34 2wd7 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wd7 n ALA 11 N -4.42 2.49 0.18 4.61 0.00 -0.11 -4.13 120.51 119.14 2wd7 n ALA 11 Ca -0.19 -0.67 0.05 0.00 0.00 0.00 0.00 53.44 52.62 2wd7 n ALA 11 Cb 0.63 -1.01 0.34 0.00 0.00 0.00 0.00 19.45 19.41 2wd7 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wd7 h ALA 12 N 4.25 1.06 -2.41 0.00 0.00 -1.88 -2.96 119.26 117.33 2wd7 h ALA 12 Ca 0.00 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.42 2wd7 h ALA 12 Cb 0.67 -0.06 -0.14 0.00 0.00 0.00 0.00 17.79 18.25 2wd7 h ALA 12 CO 0.00 0.50 -0.55 0.15 0.00 0.00 0.00 179.25 179.35 2wd7 s LYS 13 N -3.73 0.83 5.00 0.00 1.02 -1.26 -4.49 119.74 117.12 2wd7 s LYS 13 Ca -0.01 -1.22 0.00 0.00 0.02 0.00 0.00 55.97 54.76 2wd7 s LYS 13 Cb 0.12 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.70 2wd7 s LYS 13 CO 0.70 -0.23 0.00 0.54 -0.92 0.00 0.00 175.35 175.43 2wd7 n ARG 14 N -0.03 0.00 -0.10 1.68 1.74 -1.26 -1.51 116.66 117.18 2wd7 n ARG 14 Ca -0.11 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.86 2wd7 n ARG 14 Cb 0.62 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.02 2wd7 n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 2wd7 h ILE 15 N 0.00 1.28 -0.88 0.55 2.04 -1.91 -2.19 117.51 116.41 2wd7 h ILE 15 Ca 0.00 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.76 2wd7 h ILE 15 Cb 0.00 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.47 2wd7 h ILE 15 CO 0.00 0.35 0.58 1.23 0.00 0.00 0.00 178.15 180.31 2wd7 h GLY 16 N 0.30 1.24 0.94 5.37 0.00 -1.66 -1.02 103.07 108.23 2wd7 h GLY 16 Ca 0.07 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.94 2wd7 h GLY 16 CO 0.03 0.46 0.17 -0.09 0.00 0.00 0.00 176.54 177.11 2wd7 h ARG 17 N 1.19 0.35 -0.86 4.80 2.43 -1.09 -1.21 114.38 119.99 2wd7 h ARG 17 Ca 0.32 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 2wd7 h ARG 17 Cb -0.13 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.30 2wd7 h ARG 17 CO -0.07 0.23 0.43 0.00 -1.51 0.00 0.00 179.97 179.05 2wd7 h ALA 18 N 1.13 1.10 -0.03 2.80 0.00 -0.80 -0.80 119.26 122.66 2wd7 h ALA 18 Ca 0.11 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2wd7 h ALA 18 Cb -0.01 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 2wd7 h ALA 18 CO -0.05 0.65 0.02 0.82 0.00 0.00 0.00 179.25 180.68 2wd7 h ILE 19 N 1.21 1.08 -0.83 0.00 2.04 -1.05 -1.55 117.51 118.41 2wd7 h ILE 19 Ca 0.30 -0.22 0.03 0.00 1.00 0.00 0.00 64.86 65.97 2wd7 h ILE 19 Cb 0.09 1.17 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 2wd7 h ILE 19 CO -0.04 0.06 0.53 0.00 0.00 0.00 0.00 178.15 178.70 2wd7 h ALA 20 N 0.93 1.08 -0.31 1.87 0.00 -0.91 0.46 119.26 122.37 2wd7 h ALA 20 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2wd7 h ALA 20 Cb 0.08 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2wd7 h ALA 20 CO -0.00 0.38 0.10 0.28 0.00 0.00 0.00 179.25 180.01 2wd7 h VAL 21 N 1.05 1.20 -0.19 0.00 2.07 -1.06 -0.55 116.25 118.76 2wd7 h VAL 21 Ca 0.32 -0.64 -0.15 0.00 0.82 0.00 0.00 66.70 67.05 2wd7 h VAL 21 Cb -0.02 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 2wd7 h VAL 21 CO -0.10 0.22 -0.50 0.11 0.02 0.00 0.00 177.57 177.32 2wd7 h LYS 22 N 0.34 0.52 -0.45 1.57 1.57 -1.03 0.34 116.57 119.43 2wd7 h LYS 22 Ca 0.10 -0.30 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 2wd7 h LYS 22 Cb 0.24 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 2wd7 h LYS 22 CO -0.00 0.90 0.22 -0.07 -0.57 0.00 0.00 179.45 179.92 2wd7 h LEU 23 N 0.41 0.59 -0.33 2.94 3.38 -0.83 -0.97 115.31 120.50 2wd7 h LEU 23 Ca 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2wd7 h LEU 23 Cb 1.01 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2wd7 h LEU 23 CO 0.09 0.56 0.15 -0.74 0.09 0.00 0.00 178.44 178.59 2wd7 h HIS 24 N 0.59 0.49 -0.22 1.13 2.76 -0.70 -1.30 115.15 117.90 2wd7 h HIS 24 Ca 0.16 -0.03 0.05 0.00 -2.20 0.00 0.00 60.37 58.35 2wd7 h HIS 24 Cb 0.12 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2wd7 h HIS 24 CO -0.01 0.44 0.15 1.96 -1.30 0.00 0.00 177.93 179.18 2wd7 h GLN 25 N 0.39 0.06 0.00 5.26 4.20 -0.85 -1.79 115.11 122.38 2wd7 h GLN 25 Ca 0.11 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2wd7 h GLN 25 Cb 0.15 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.92 2wd7 h GLN 25 CO -0.01 0.04 0.00 1.15 -0.67 0.00 0.00 178.83 179.34 2wd7 h THR 26 N 0.06 0.00 0.00 -0.54 2.02 -0.34 -3.46 112.91 110.65 2wd7 h THR 26 Ca 0.10 -0.58 0.00 0.00 0.77 0.00 0.00 66.41 66.70 2wd7 h THR 26 Cb 0.33 1.53 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 2wd7 h THR 26 CO -0.01 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.49 2wd7 n GLY 27 N 0.53 1.14 3.75 2.16 0.00 -0.67 -5.10 105.19 107.01 2wd7 n GLY 27 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 2wd7 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wd7 s TYR 28 N -1.92 3.85 0.29 1.61 1.51 -0.57 -4.30 117.35 117.82 2wd7 s TYR 28 Ca 0.00 1.84 -0.23 0.00 -1.01 0.00 0.00 57.07 57.68 2wd7 s TYR 28 Cb 0.00 -3.09 -0.09 0.00 -0.11 0.00 0.00 41.96 38.67 2wd7 s TYR 28 CO 0.00 0.11 0.85 1.03 -1.11 0.00 0.00 175.55 176.43 2wd7 s ARG 29 N -1.27 4.40 -0.02 -0.62 0.52 0.08 -4.12 118.95 117.92 2wd7 s ARG 29 Ca 0.42 1.10 0.03 0.00 -0.52 0.00 0.00 55.73 56.77 2wd7 s ARG 29 Cb -0.28 -2.76 -0.00 0.00 0.52 0.00 0.00 34.95 32.43 2wd7 s ARG 29 CO 0.35 0.29 -0.11 0.08 0.02 0.00 0.00 175.30 175.93 2wd7 s VAL 30 N -1.65 0.92 -0.34 3.52 1.01 -0.08 -0.34 120.40 123.44 2wd7 s VAL 30 Ca 0.49 -0.45 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 2wd7 s VAL 30 Cb -0.17 -0.80 -0.01 0.00 0.00 0.00 0.00 36.38 35.40 2wd7 s VAL 30 CO 0.21 0.27 0.34 -0.69 0.00 0.00 0.00 175.10 175.24 2wd7 s VAL 31 N 0.03 5.19 -0.70 2.92 1.01 0.08 -1.58 120.40 127.35 2wd7 s VAL 31 Ca -0.01 0.01 -0.19 0.00 0.00 0.00 0.00 61.98 61.80 2wd7 s VAL 31 Cb -0.08 -3.80 0.12 0.00 0.00 0.00 0.00 36.38 32.62 2wd7 s VAL 31 CO 0.00 -0.07 0.84 -0.63 0.00 0.00 0.00 175.10 175.24 2wd7 s ILE 32 N 1.97 4.81 0.37 2.22 1.01 0.26 -1.90 121.20 129.95 2wd7 s ILE 32 Ca 0.11 -1.18 -0.24 0.00 0.00 0.00 0.00 60.65 59.33 2wd7 s ILE 32 Cb -0.17 -4.58 -0.10 0.00 0.01 0.00 0.00 42.46 37.63 2wd7 s ILE 32 CO 0.11 -1.24 0.98 -2.28 0.00 0.00 0.00 174.94 172.51 2wd7 s HIS 33 N 2.61 3.46 0.12 3.97 5.65 -0.79 -4.34 115.29 125.98 2wd7 s HIS 33 Ca 0.18 1.70 -0.11 0.00 0.25 0.00 0.00 55.06 57.07 2wd7 s HIS 33 Cb -0.18 -2.98 0.01 0.00 -1.18 0.00 0.00 32.58 28.25 2wd7 s HIS 33 CO 0.02 -0.16 0.29 1.52 -0.65 0.00 0.00 174.74 175.76 2wd7 s TYR 34 N -1.76 0.10 0.00 3.88 -0.85 -1.26 -0.93 117.35 116.53 2wd7 s TYR 34 Ca 0.56 -0.48 0.00 0.00 -0.52 0.00 0.00 57.07 56.63 2wd7 s TYR 34 Cb -0.18 0.06 0.00 0.00 0.38 0.00 0.00 41.96 42.22 2wd7 s TYR 34 CO 0.23 -0.65 0.00 1.58 -1.52 0.00 0.00 175.55 175.19 2wd7 n HIS 35 N -0.16 0.00 0.01 -3.49 -0.00 -1.26 -1.58 115.22 108.75 2wd7 n HIS 35 Ca -0.13 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.70 2wd7 n HIS 35 Cb 0.63 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.48 2wd7 n HIS 35 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2wd7 n ASN 36 N -2.13 0.17 -3.81 0.26 3.02 -1.26 -4.72 115.26 106.79 2wd7 n ASN 36 Ca 0.00 0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 2wd7 n ASN 36 Cb 0.00 1.67 0.01 0.00 -0.61 0.00 0.00 39.78 40.85 2wd7 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2wd7 n SER 37 N -2.35 6.07 -0.08 6.41 7.64 -1.26 -4.77 113.62 125.28 2wd7 n SER 37 Ca -0.04 -3.23 -0.11 0.00 1.01 0.00 0.00 58.87 56.51 2wd7 n SER 37 Cb 0.57 -1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 62.34 2wd7 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd7 h ALA 38 N 5.36 0.33 -0.53 -0.43 0.00 -1.97 -1.59 119.26 120.43 2wd7 h ALA 38 Ca 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2wd7 h ALA 38 Cb 0.55 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2wd7 h ALA 38 CO 1.51 0.04 0.27 1.49 0.00 0.00 0.00 179.25 182.56 2wd7 h GLU 39 N 0.21 0.75 -0.72 0.00 4.81 -1.99 -0.04 114.58 117.60 2wd7 h GLU 39 Ca 0.07 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2wd7 h GLU 39 Cb 0.37 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2wd7 h GLU 39 CO 0.01 0.60 0.31 0.00 -0.73 0.00 0.00 179.01 179.20 2wd7 h ALA 40 N 1.11 0.93 -0.28 2.92 0.00 -1.87 -1.12 119.26 120.95 2wd7 h ALA 40 Ca 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2wd7 h ALA 40 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wd7 h ALA 40 CO -0.03 0.54 -0.04 0.00 0.00 0.00 0.00 179.25 179.72 2wd7 h ALA 41 N 1.15 0.38 -0.53 0.00 0.00 -0.82 -2.03 119.26 117.41 2wd7 h ALA 41 Ca 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2wd7 h ALA 41 Cb 0.18 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2wd7 h ALA 41 CO -0.02 0.17 0.29 0.28 0.00 0.00 0.00 179.25 179.97 2wd7 h VAL 42 N 0.29 1.18 -0.53 0.00 2.07 -1.02 -1.63 116.25 116.61 2wd7 h VAL 42 Ca 0.07 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2wd7 h VAL 42 Cb 0.50 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2wd7 h VAL 42 CO 0.02 0.19 0.18 -1.28 0.02 0.00 0.00 177.57 176.71 2wd7 h SER 43 N 0.71 0.71 0.07 0.57 0.87 -1.11 -0.81 113.55 114.57 2wd7 h SER 43 Ca 0.19 -0.10 -0.00 0.00 -1.23 0.00 0.00 61.79 60.64 2wd7 h SER 43 Cb 0.05 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.83 2wd7 h SER 43 CO -0.03 0.67 -0.03 0.25 -0.53 0.00 0.00 176.83 177.15 2wd7 h LEU 44 N 0.76 -0.08 -0.45 2.23 5.85 -1.20 -1.93 115.31 120.49 2wd7 h LEU 44 Ca 0.18 -0.18 0.08 0.00 0.84 0.00 0.00 57.88 58.80 2wd7 h LEU 44 Cb 0.20 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 2wd7 h LEU 44 CO -0.01 0.13 0.04 0.00 -0.34 0.00 0.00 178.44 178.26 2wd7 h ALA 45 N 0.63 0.46 -0.03 1.25 0.00 -0.90 -0.58 119.26 120.09 2wd7 h ALA 45 Ca -0.01 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2wd7 h ALA 45 Cb 0.25 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2wd7 h ALA 45 CO 0.02 -0.36 -0.03 -0.44 0.00 0.00 0.00 179.25 178.44 2wd7 h ASP 46 N 0.16 -0.10 -0.29 0.00 5.19 -1.17 0.17 116.42 120.38 2wd7 h ASP 46 Ca 0.23 0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.72 2wd7 h ASP 46 Cb 0.31 0.05 -0.07 0.00 0.18 0.00 0.00 39.33 39.80 2wd7 h ASP 46 CO -0.34 -0.05 -0.21 -0.08 -3.12 0.00 0.00 179.24 175.45 2wd7 h GLU 47 N -0.05 -0.18 -0.58 3.56 4.81 -0.95 -0.78 114.58 120.41 2wd7 h GLU 47 Ca 0.02 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 2wd7 h GLU 47 Cb 0.08 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2wd7 h GLU 47 CO -0.06 -0.12 0.17 -0.07 -0.73 0.00 0.00 179.01 178.21 2wd7 h LEU 48 N -0.19 0.85 -1.89 1.64 3.38 -0.91 -2.77 115.31 115.41 2wd7 h LEU 48 Ca 0.15 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2wd7 h LEU 48 Cb 0.42 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wd7 h LEU 48 CO -0.40 0.83 -0.09 0.78 0.09 0.00 0.00 178.44 179.65 2wd7 h ASN 49 N 0.81 0.00 -0.07 -0.43 2.35 -0.51 -1.80 115.58 115.92 2wd7 h ASN 49 Ca 0.19 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2wd7 h ASN 49 Cb 0.30 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 2wd7 h ASN 49 CO -0.00 0.09 -0.55 0.50 -1.65 0.00 0.00 177.43 175.81 2wd7 h LYS 50 N 0.00 0.66 0.86 0.81 3.64 -0.91 -2.75 116.57 118.88 2wd7 h LYS 50 Ca -0.00 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 58.91 2wd7 h LYS 50 Cb 0.37 0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2wd7 h LYS 50 CO 0.01 1.04 -0.41 1.49 -2.27 0.00 0.00 179.45 179.31 2wd7 h GLU 51 N 0.51 -1.12 -3.69 1.90 4.57 -1.13 -3.43 114.58 112.18 2wd7 h GLU 51 Ca 0.01 0.08 -0.43 0.00 -1.18 0.00 0.00 59.36 57.83 2wd7 h GLU 51 Cb 1.12 0.25 -0.38 0.00 -0.16 0.00 0.00 28.75 29.59 2wd7 h GLU 51 CO 0.11 -0.74 -0.77 1.03 -1.18 0.00 0.00 179.01 177.47 2wd7 s ARG 52 N -5.59 0.58 0.45 1.92 0.52 -0.74 -5.13 118.95 110.97 2wd7 s ARG 52 Ca -0.18 0.11 -0.25 0.00 -0.52 0.00 0.00 55.73 54.90 2wd7 s ARG 52 Cb 0.02 -0.95 -0.09 0.00 0.52 0.00 0.00 34.95 34.46 2wd7 s ARG 52 CO 0.55 -0.30 1.36 0.43 0.02 0.00 0.00 175.30 177.37 2wd7 n SER 53 N 5.12 2.96 -3.79 0.23 7.64 -1.04 -3.26 113.62 121.48 2wd7 n SER 53 Ca -0.08 1.10 -0.27 0.00 1.01 0.00 0.00 58.87 60.64 2wd7 n SER 53 Cb 0.50 -1.56 0.04 0.00 -1.01 0.00 0.00 64.21 62.18 2wd7 n SER 53 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2wd7 n ASN 54 N -0.12 -4.32 -0.14 6.43 5.15 -1.26 -4.91 115.26 116.09 2wd7 n ASN 54 Ca 0.06 -0.73 0.02 0.00 -0.60 0.00 0.00 54.58 53.33 2wd7 n ASN 54 Cb 0.41 -4.20 0.01 0.00 -0.53 0.00 0.00 39.78 35.47 2wd7 n ASN 54 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2wd7 n THR 55 N -4.65 0.00 -3.80 -0.44 -2.24 -1.20 -5.02 114.28 96.92 2wd7 n THR 55 Ca -0.04 -0.48 -0.14 0.00 -2.27 0.00 0.00 64.05 61.11 2wd7 n THR 55 Cb 0.57 1.07 -0.15 0.00 -2.10 0.00 0.00 70.33 69.72 2wd7 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wd7 s ALA 56 N -0.57 0.07 0.20 6.98 0.00 -1.26 -0.90 121.76 126.28 2wd7 s ALA 56 Ca 0.04 0.22 0.07 0.00 0.00 0.00 0.00 51.96 52.29 2wd7 s ALA 56 Cb 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 23.12 22.92 2wd7 s ALA 56 CO 0.08 -0.08 -0.12 0.14 0.00 0.00 0.00 175.76 175.78 2wd7 s VAL 57 N 0.79 1.57 0.00 0.00 -7.23 -0.62 -4.90 120.40 110.01 2wd7 s VAL 57 Ca -0.07 -2.16 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 2wd7 s VAL 57 Cb -0.10 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.78 2wd7 s VAL 57 CO -0.02 -0.58 0.00 1.33 -0.31 0.00 0.00 175.10 175.52 2wd7 n VAL 58 N -0.37 0.00 -3.77 1.32 0.24 -1.26 -0.58 118.33 113.91 2wd7 n VAL 58 Ca -0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.09 2wd7 n VAL 58 Cb 0.61 -0.55 -0.13 0.00 -1.47 0.00 0.00 33.84 32.30 2wd7 n VAL 58 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2wd7 s GLN 60 N 0.02 0.20 -0.08 7.34 -0.44 -1.26 -4.88 119.66 120.56 2wd7 s GLN 60 Ca 0.00 0.37 -0.30 0.00 -2.50 0.00 0.00 55.36 52.92 2wd7 s GLN 60 Cb 0.00 0.00 0.07 0.00 -1.64 0.00 0.00 33.01 31.45 2wd7 s GLN 60 CO 0.00 -0.09 0.71 0.00 0.50 0.00 0.00 175.29 176.41 2wd7 s ALA 61 N 0.60 -1.78 -0.10 1.58 0.00 -0.61 -4.95 121.76 116.49 2wd7 s ALA 61 Ca -0.04 1.42 -0.23 0.00 0.00 0.00 0.00 51.96 53.10 2wd7 s ALA 61 Cb -0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2wd7 s ALA 61 CO -0.03 -0.36 0.71 0.34 0.00 0.00 0.00 175.76 176.42 2wd7 s ASP 62 N -1.01 6.95 -0.00 0.00 -1.08 -1.26 -4.18 116.67 116.08 2wd7 s ASP 62 Ca -0.09 1.14 0.21 0.00 -0.52 0.00 0.00 52.55 53.29 2wd7 s ASP 62 Cb -0.01 -2.41 0.59 0.00 -1.46 0.00 0.00 42.92 39.64 2wd7 s ASP 62 CO 0.08 -0.18 1.49 0.18 0.52 0.00 0.00 175.17 177.27 2wd7 n LEU 63 N 4.15 3.80 -4.77 -1.34 4.77 -1.26 -4.94 117.00 117.41 2wd7 n LEU 63 Ca -0.00 -2.01 -0.41 0.00 -0.03 0.00 0.00 56.01 53.56 2wd7 n LEU 63 Cb 0.51 -0.45 0.01 0.00 -2.33 0.00 0.00 43.42 41.16 2wd7 n LEU 63 CO 0.47 0.94 1.11 0.41 -1.33 0.00 0.00 177.39 178.99 2wd7 n THR 64 N 1.45 2.31 -1.87 -5.08 -1.04 -1.26 -3.04 114.28 105.74 2wd7 n THR 64 Ca 0.22 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 2wd7 n THR 64 Cb 0.59 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 67.16 2wd7 n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2wd7 s ASN 65 N -0.26 6.49 0.10 8.00 3.04 -0.47 -4.71 114.94 127.11 2wd7 s ASN 65 Ca 0.56 2.84 -0.26 0.00 0.04 0.00 0.00 52.86 56.04 2wd7 s ASN 65 Cb -0.47 -2.63 0.09 0.00 -1.54 0.00 0.00 41.25 36.70 2wd7 s ASN 65 CO 0.61 -0.83 1.12 -0.94 -3.04 0.00 0.00 177.10 174.02 2wd7 s SER 66 N 0.44 -0.06 0.64 -4.21 1.04 -1.26 -4.84 113.70 105.45 2wd7 s SER 66 Ca 0.62 -0.39 0.41 0.00 0.48 0.00 0.00 55.95 57.07 2wd7 s SER 66 Cb -0.45 0.36 2.23 0.00 0.10 0.00 0.00 66.02 68.25 2wd7 s SER 66 CO 0.46 -0.69 2.31 -0.55 0.98 0.00 0.00 173.24 175.76 2wd7 h ASN 67 N 2.00 0.00 0.14 7.02 -1.07 -2.06 -2.90 115.58 118.72 2wd7 h ASN 67 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.10 2wd7 h ASN 67 Cb 1.21 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.46 2wd7 h ASN 67 CO 0.30 0.00 -0.93 1.33 0.07 0.00 0.00 177.43 178.21 2wd7 n VAL 68 N -3.19 0.01 -0.17 6.14 0.24 -1.26 -4.55 118.33 115.55 2wd7 n VAL 68 Ca -0.03 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.22 2wd7 n VAL 68 Cb 0.10 0.73 0.07 0.00 -1.47 0.00 0.00 33.84 33.27 2wd7 n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 2wd7 h LEU 69 N 0.00 -0.18 -0.90 1.34 5.85 -1.79 -1.32 115.31 118.30 2wd7 h LEU 69 Ca 0.00 0.12 0.14 0.00 0.84 0.00 0.00 57.88 58.98 2wd7 h LEU 69 Cb 0.54 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 2wd7 h LEU 69 CO 0.00 -0.06 0.51 -0.65 -0.34 0.00 0.00 178.44 177.89 2wd7 h PRO 70 N 0.14 0.72 -0.15 5.25 0.11 -1.80 -0.16 132.00 136.10 2wd7 h PRO 70 Ca 0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 2wd7 h PRO 70 Cb 0.40 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.34 2wd7 h PRO 70 CO -0.42 0.47 0.05 0.00 -0.21 0.00 0.00 178.00 177.90 2wd7 h ALA 71 N 1.55 0.19 -0.68 -0.75 0.00 -1.62 -1.23 119.26 116.73 2wd7 h ALA 71 Ca 0.48 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.37 2wd7 h ALA 71 Cb 0.62 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 2wd7 h ALA 71 CO -0.33 -0.20 0.31 0.77 0.00 0.00 0.00 179.25 179.80 2wd7 h SER 72 N 0.07 0.38 -0.30 0.00 0.02 -0.81 -1.28 113.55 111.63 2wd7 h SER 72 Ca 0.05 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 61.00 2wd7 h SER 72 Cb 0.20 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 2wd7 h SER 72 CO -0.00 0.22 -0.07 0.00 -1.14 0.00 0.00 176.83 175.83 2wd7 h GLU 74 N 0.35 0.93 -0.25 0.00 4.81 -1.08 -2.44 114.58 116.90 2wd7 h GLU 74 Ca 0.08 -0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 2wd7 h GLU 74 Cb 0.56 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 2wd7 h GLU 74 CO 0.03 0.61 -0.41 1.49 -0.73 0.00 0.00 179.01 180.00 2wd7 h GLU 75 N 0.96 0.61 -0.15 1.92 4.57 -0.90 0.12 114.58 121.69 2wd7 h GLU 75 Ca 0.51 -0.31 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 2wd7 h GLU 75 Cb 0.56 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 2wd7 h GLU 75 CO -0.28 0.91 0.07 0.82 -1.18 0.00 0.00 179.01 179.35 2wd7 h ILE 76 N 0.50 1.13 -0.33 2.32 2.04 -0.87 -0.37 117.51 121.93 2wd7 h ILE 76 Ca 0.04 -0.40 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2wd7 h ILE 76 Cb 0.93 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 2wd7 h ILE 76 CO 0.08 0.13 0.19 0.40 0.00 0.00 0.00 178.15 178.95 2wd7 h ILE 77 N 0.11 1.04 -0.90 -0.67 1.08 -1.34 -2.84 117.51 113.99 2wd7 h ILE 77 Ca 0.05 -0.14 0.12 0.00 -0.39 0.00 0.00 64.86 64.51 2wd7 h ILE 77 Cb 0.14 0.61 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 2wd7 h ILE 77 CO -0.01 0.07 0.58 0.78 -0.69 0.00 0.00 178.15 178.89 2wd7 h ASN 78 N 0.40 0.75 -0.54 1.72 2.35 -0.58 -2.05 115.58 117.63 2wd7 h ASN 78 Ca 0.13 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 2wd7 h ASN 78 Cb -0.01 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.22 2wd7 h ASN 78 CO -0.05 0.40 0.11 0.28 -1.65 0.00 0.00 177.43 176.52 2wd7 h SER 79 N 0.81 0.87 -0.23 5.81 0.02 -0.82 0.15 113.55 120.16 2wd7 h SER 79 Ca 0.44 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.20 2wd7 h SER 79 Cb 0.57 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2wd7 h SER 79 CO -0.20 0.86 0.11 0.00 -1.14 0.00 0.00 176.83 176.46 2wd7 h PHE 81 N 0.24 0.55 -0.51 0.00 -1.00 -1.22 0.72 116.94 115.72 2wd7 h PHE 81 Ca 0.08 0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 2wd7 h PHE 81 Cb 0.13 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 2wd7 h PHE 81 CO -0.02 0.33 0.18 0.00 -1.61 0.00 0.00 178.31 177.19 2wd7 h ARG 82 N 0.60 0.77 -0.16 1.51 3.08 -0.53 0.28 114.38 119.93 2wd7 h ARG 82 Ca 0.18 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 60.05 2wd7 h ARG 82 Cb -0.02 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2wd7 h ARG 82 CO -0.07 0.70 -0.04 0.00 -1.07 0.00 0.00 179.97 179.49 2wd7 h ALA 83 N 1.03 0.22 0.00 0.04 0.00 -0.56 -3.41 119.26 116.59 2wd7 h ALA 83 Ca 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wd7 h ALA 83 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2wd7 h ALA 83 CO -0.01 -0.02 0.00 1.19 0.00 0.00 0.00 179.25 180.41 2wd7 n PHE 84 N -4.68 0.00 -0.85 0.00 0.99 0.23 -5.02 117.46 108.12 2wd7 n PHE 84 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.40 2wd7 n PHE 84 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.74 2wd7 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2wd7 n GLY 85 N 0.51 0.74 3.66 1.37 0.00 0.97 -4.96 105.19 107.48 2wd7 n GLY 85 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2wd7 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wd7 s ARG 86 N -0.15 1.17 -0.29 1.61 1.70 -1.26 -4.97 118.95 116.77 2wd7 s ARG 86 Ca 0.00 -0.58 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 2wd7 s ARG 86 Cb 0.00 0.44 0.14 0.00 -0.57 0.00 0.00 34.95 34.97 2wd7 s ARG 86 CO 0.00 -0.53 0.32 0.00 -1.08 0.00 0.00 175.30 174.01 2wd7 n ASP 88 N 5.32 0.54 -3.87 0.00 9.92 -0.01 -4.95 116.55 123.50 2wd7 n ASP 88 Ca -0.01 0.26 -0.16 0.00 -0.53 0.00 0.00 54.79 54.34 2wd7 n ASP 88 Cb 0.47 0.39 -0.15 0.00 -0.64 0.00 0.00 41.12 41.19 2wd7 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2wd7 s VAL 89 N -2.62 0.21 -0.14 2.53 1.01 -0.84 -1.94 120.40 118.60 2wd7 s VAL 89 Ca -0.06 -0.02 0.02 0.00 0.00 0.00 0.00 61.98 61.91 2wd7 s VAL 89 Cb 0.08 -0.24 0.01 0.00 0.00 0.00 0.00 36.38 36.22 2wd7 s VAL 89 CO 0.83 0.11 -0.20 -0.22 0.00 0.00 0.00 175.10 175.61 2wd7 s LEU 90 N 0.48 2.22 -0.26 3.92 2.96 -0.94 -0.44 118.68 126.62 2wd7 s LEU 90 Ca -0.05 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.29 2wd7 s LEU 90 Cb -0.08 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.17 2wd7 s LEU 90 CO -0.01 0.09 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.38 2wd7 s VAL 91 N 0.76 2.87 -0.75 1.68 1.01 0.58 -0.79 120.40 125.75 2wd7 s VAL 91 Ca -0.08 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 60.52 2wd7 s VAL 91 Cb -0.16 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.78 2wd7 s VAL 91 CO -0.00 0.09 1.02 0.20 0.00 0.00 0.00 175.10 176.41 2wd7 s ASN 92 N 1.29 6.32 -0.07 3.32 0.01 -0.25 -1.55 114.94 124.01 2wd7 s ASN 92 Ca -0.02 -1.33 0.02 0.00 -0.71 0.00 0.00 52.86 50.83 2wd7 s ASN 92 Cb -0.18 -2.42 -0.06 0.00 0.41 0.00 0.00 41.25 39.01 2wd7 s ASN 92 CO -0.03 -1.33 -0.03 -3.20 -1.51 0.00 0.00 177.10 171.00 2wd7 n ASN 93 N 7.38 3.50 -4.68 -1.22 5.15 -1.25 -1.04 115.26 123.10 2wd7 n ASN 93 Ca 0.05 -0.02 -0.44 0.00 -0.60 0.00 0.00 54.58 53.57 2wd7 n ASN 93 Cb 0.47 0.19 -0.02 0.00 -0.53 0.00 0.00 39.78 39.89 2wd7 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wd7 n ALA 94 N -2.51 1.16 -3.64 5.20 0.00 -1.14 -4.89 120.51 114.68 2wd7 n ALA 94 Ca -0.11 0.39 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 2wd7 n ALA 94 Cb 0.66 -2.26 -0.07 0.00 0.00 0.00 0.00 19.45 17.77 2wd7 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wd7 s SER 95 N 0.06 -0.91 0.22 0.00 0.15 -1.26 -4.51 113.70 107.45 2wd7 s SER 95 Ca 0.63 1.48 -0.15 0.00 0.70 0.00 0.00 55.95 58.61 2wd7 s SER 95 Cb -0.62 1.35 -0.08 0.00 -1.71 0.00 0.00 66.02 64.97 2wd7 s SER 95 CO 0.54 -0.24 0.63 0.00 1.20 0.00 0.00 173.24 175.37 2wd7 s ALA 96 N 1.56 3.48 -0.29 5.45 0.00 -1.26 -5.06 121.76 125.65 2wd7 s ALA 96 Ca -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2wd7 s ALA 96 Cb -0.05 -2.62 0.18 0.00 0.00 0.00 0.00 23.12 20.62 2wd7 s ALA 96 CO -0.19 0.41 0.54 0.12 0.00 0.00 0.00 175.76 176.65 2wd7 s PHE 97 N -1.67 -1.43 0.01 0.00 2.19 -1.26 -4.84 117.98 110.99 2wd7 s PHE 97 Ca 0.45 1.40 -0.28 0.00 0.33 0.00 0.00 56.93 58.83 2wd7 s PHE 97 Cb -0.14 0.39 0.10 0.00 -1.31 0.00 0.00 43.02 42.06 2wd7 s PHE 97 CO 0.20 -0.87 0.84 1.52 1.83 0.00 0.00 175.22 178.74 2wd7 s TYR 98 N 2.77 -0.39 0.48 10.12 -0.85 -1.26 -5.16 117.35 123.05 2wd7 s TYR 98 Ca 0.18 0.29 -0.22 0.00 -0.52 0.00 0.00 57.07 56.80 2wd7 s TYR 98 Cb -0.15 0.53 -0.07 0.00 0.38 0.00 0.00 41.96 42.66 2wd7 s TYR 98 CO -0.21 -0.59 1.17 -1.25 -1.52 0.00 0.00 175.55 173.16 2wd7 s PRO 99 N -3.02 3.65 -0.47 -3.49 0.04 -1.26 -4.72 135.00 125.72 2wd7 s PRO 99 Ca 0.03 1.78 0.06 0.00 0.04 0.00 0.00 61.00 62.91 2wd7 s PRO 99 Cb -0.01 -2.33 0.21 0.00 0.04 0.00 0.00 34.50 32.41 2wd7 s PRO 99 CO -0.08 -0.65 0.47 0.25 0.04 0.00 0.00 177.00 177.03 2wd7 n THR 100 N -0.66 -0.29 -1.74 1.26 -2.24 0.82 -4.99 114.28 106.45 2wd7 n THR 100 Ca 0.08 -4.01 -0.40 0.00 -2.27 0.00 0.00 64.05 57.45 2wd7 n THR 100 Cb 0.48 -1.88 0.02 0.00 -2.10 0.00 0.00 70.33 66.86 2wd7 n THR 100 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2wd7 n PRO 101 N 2.01 2.05 0.09 -0.78 -0.04 -1.22 -4.40 135.00 132.71 2wd7 n PRO 101 Ca 0.26 0.73 -0.03 0.00 -0.04 0.00 0.00 63.50 64.42 2wd7 n PRO 101 Cb 0.47 -2.55 0.21 0.00 -0.04 0.00 0.00 33.50 31.59 2wd7 n PRO 101 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wd7 h LEU 102 N 2.06 0.27 -4.93 1.53 3.38 -2.01 -3.51 115.31 112.10 2wd7 h LEU 102 Ca -0.50 -0.12 -0.47 0.00 0.09 0.00 0.00 57.88 56.88 2wd7 h LEU 102 Cb 1.28 -0.08 -0.41 0.00 0.09 0.00 0.00 40.66 41.55 2wd7 h LEU 102 CO 0.60 0.67 -0.99 1.33 0.09 0.00 0.00 178.44 180.14 2wd7 n VAL 103 N -4.01 1.54 -0.87 1.22 0.24 -1.26 -5.26 118.33 109.93 2wd7 n VAL 103 Ca -0.02 -4.05 -0.05 0.00 -2.04 0.00 0.00 64.34 58.18 2wd7 n VAL 103 Cb 0.49 -0.27 0.29 0.00 -1.47 0.00 0.00 33.84 32.88 2wd7 n VAL 103 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wd7 n GLY 113 N -0.20 3.46 3.78 7.63 0.00 -1.26 -5.19 105.19 113.41 2wd7 n GLY 113 Ca 0.23 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.98 2wd7 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd7 s LYS 114 N -2.79 4.10 0.79 1.61 1.02 -1.26 -5.06 119.74 118.15 2wd7 s LYS 114 Ca 0.51 1.49 -0.11 0.00 0.02 0.00 0.00 55.97 57.88 2wd7 s LYS 114 Cb 0.41 -2.46 0.07 0.00 -0.52 0.00 0.00 37.83 35.32 2wd7 s LYS 114 CO 0.13 -0.20 1.09 0.95 -0.92 0.00 0.00 175.35 176.40 2wd7 s THR 115 N -1.71 3.24 0.39 2.17 -4.23 -1.26 -4.87 115.64 109.38 2wd7 s THR 115 Ca 0.59 0.40 0.08 0.00 -1.18 0.00 0.00 61.69 61.59 2wd7 s THR 115 Cb -0.21 -2.91 0.20 0.00 1.34 0.00 0.00 72.50 70.92 2wd7 s THR 115 CO 0.26 -0.53 1.97 1.62 -0.54 0.00 0.00 174.62 177.40 2wd7 h VAL 116 N -1.18 1.15 -0.15 2.29 3.04 -1.99 -1.91 116.25 117.48 2wd7 h VAL 116 Ca -0.45 -0.53 -0.12 0.00 -1.01 0.00 0.00 66.70 64.59 2wd7 h VAL 116 Cb 1.24 0.89 -0.01 0.00 -2.01 0.00 0.00 31.29 31.40 2wd7 h VAL 116 CO 0.52 0.19 -0.41 1.05 -1.01 0.00 0.00 177.57 177.90 2wd7 h GLU 117 N 0.39 0.35 -0.48 4.17 9.09 -1.99 -0.52 114.58 125.59 2wd7 h GLU 117 Ca 0.09 -0.17 -0.06 0.00 0.05 0.00 0.00 59.36 59.27 2wd7 h GLU 117 Cb 0.19 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.28 2wd7 h GLU 117 CO -0.00 0.71 0.06 1.15 0.05 0.00 0.00 179.01 180.98 2wd7 h THR 118 N 0.29 1.25 -0.49 -1.06 2.02 -1.78 -1.07 112.91 112.07 2wd7 h THR 118 Ca 0.03 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.27 2wd7 h THR 118 Cb 0.86 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 2wd7 h THR 118 CO 0.07 0.33 0.31 1.56 0.37 0.00 0.00 175.52 178.16 2wd7 h GLN 119 N 0.66 0.60 0.18 6.66 4.20 -0.92 0.54 115.11 127.03 2wd7 h GLN 119 Ca 0.14 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2wd7 h GLN 119 Cb 0.41 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 2wd7 h GLN 119 CO 0.01 0.40 -0.21 0.28 -0.67 0.00 0.00 178.83 178.64 2wd7 h VAL 120 N 0.62 0.53 -0.47 -0.54 2.07 -1.03 0.26 116.25 117.70 2wd7 h VAL 120 Ca 0.19 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.78 2wd7 h VAL 120 Cb -0.03 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.22 2wd7 h VAL 120 CO -0.07 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.64 2wd7 h ALA 121 N 0.31 0.54 -0.01 1.67 0.00 -0.91 -0.77 119.26 120.08 2wd7 h ALA 121 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wd7 h ALA 121 Cb 0.42 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2wd7 h ALA 121 CO -0.07 -0.29 -0.04 0.93 0.00 0.00 0.00 179.25 179.78 2wd7 h GLU 122 N 0.26 0.05 -0.17 0.00 5.08 -0.75 -0.73 114.58 118.32 2wd7 h GLU 122 Ca 0.23 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 2wd7 h GLU 122 Cb 0.28 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 2wd7 h GLU 122 CO -0.28 0.66 -0.30 -0.07 -1.00 0.00 0.00 179.01 178.02 2wd7 h LEU 123 N -0.55 0.56 0.15 1.33 3.38 -0.94 -1.89 115.31 117.35 2wd7 h LEU 123 Ca -0.00 -0.54 -0.30 0.00 0.09 0.00 0.00 57.88 57.13 2wd7 h LEU 123 Cb 0.66 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 41.28 2wd7 h LEU 123 CO 0.01 0.99 -1.28 0.40 0.09 0.00 0.00 178.44 178.65 2wd7 h ILE 124 N 0.15 1.29 0.17 1.22 1.08 -1.29 -2.88 117.51 117.26 2wd7 h ILE 124 Ca 0.01 -2.50 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 2wd7 h ILE 124 Cb 0.88 2.77 -0.03 0.00 -3.07 0.00 0.00 36.82 37.38 2wd7 h ILE 124 CO 0.07 0.76 -0.40 1.23 -0.69 0.00 0.00 178.15 179.12 2wd7 h GLY 125 N 0.24 -1.17 1.00 5.37 0.00 -1.24 -0.84 103.07 106.43 2wd7 h GLY 125 Ca -0.20 0.59 -0.05 0.00 0.00 0.00 0.00 47.33 47.67 2wd7 h GLY 125 CO 0.24 -0.33 0.17 -0.91 0.00 0.00 0.00 176.54 175.72 2wd7 h THR 126 N -0.63 1.24 0.00 4.70 1.35 -1.25 0.36 112.91 118.68 2wd7 h THR 126 Ca -0.02 -0.84 -0.09 0.00 -0.55 0.00 0.00 66.41 64.91 2wd7 h THR 126 Cb 0.60 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 67.69 2wd7 h THR 126 CO -0.17 0.32 -0.55 0.78 -0.25 0.00 0.00 175.52 175.65 2wd7 h ASN 127 N 0.83 0.00 0.00 5.36 2.35 -1.53 -3.40 115.58 119.19 2wd7 h ASN 127 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2wd7 h ASN 127 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 2wd7 h ASN 127 CO -0.00 0.42 -0.06 0.00 -1.65 0.00 0.00 177.43 176.13 2wd7 n ALA 128 N -2.22 3.00 -0.00 -0.83 0.00 -0.42 -4.44 120.51 115.59 2wd7 n ALA 128 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.32 2wd7 n ALA 128 Cb 0.71 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 2wd7 n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2wd7 h ILE 129 N 0.00 1.25 -0.11 0.00 1.08 -1.02 -1.85 117.51 116.86 2wd7 h ILE 129 Ca 0.00 -0.76 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 2wd7 h ILE 129 Cb 0.06 1.74 -0.03 0.00 -3.07 0.00 0.00 36.82 35.52 2wd7 h ILE 129 CO 0.00 0.20 -0.09 0.00 -0.69 0.00 0.00 178.15 177.57 2wd7 h ALA 130 N 0.69 0.01 -0.89 1.87 0.00 -0.54 -0.16 119.26 120.24 2wd7 h ALA 130 Ca 0.00 0.05 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2wd7 h ALA 130 Cb 0.32 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 2wd7 h ALA 130 CO 0.00 -0.54 0.45 -1.35 0.00 0.00 0.00 179.25 177.81 2wd7 h PRO 131 N -0.10 0.56 -0.31 0.00 0.11 -1.75 0.18 132.00 130.70 2wd7 h PRO 131 Ca 0.07 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 2wd7 h PRO 131 Cb 0.20 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 2wd7 h PRO 131 CO -0.17 0.37 0.08 0.35 -0.21 0.00 0.00 178.00 178.42 2wd7 h PHE 132 N 0.58 0.52 -0.31 0.65 3.57 -0.73 -1.21 116.94 120.01 2wd7 h PHE 132 Ca 0.51 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.91 2wd7 h PHE 132 Cb 0.82 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 2wd7 h PHE 132 CO -0.09 0.55 0.02 -0.07 -2.23 0.00 0.00 178.31 176.49 2wd7 h LEU 133 N 0.34 0.52 -0.82 0.59 3.38 -0.47 -1.02 115.31 117.83 2wd7 h LEU 133 Ca 0.10 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.80 2wd7 h LEU 133 Cb 0.29 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 2wd7 h LEU 133 CO 0.00 0.68 0.54 -0.07 0.09 0.00 0.00 178.44 179.67 2wd7 h LEU 134 N 0.35 0.91 -0.58 1.67 3.38 -0.64 -1.09 115.31 119.30 2wd7 h LEU 134 Ca 0.09 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2wd7 h LEU 134 Cb 0.39 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 2wd7 h LEU 134 CO 0.01 0.64 0.37 0.74 0.09 0.00 0.00 178.44 180.29 2wd7 h THR 135 N 1.07 1.16 -0.11 0.22 2.02 -1.03 0.18 112.91 116.41 2wd7 h THR 135 Ca 0.32 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2wd7 h THR 135 Cb -0.05 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 2wd7 h THR 135 CO -0.09 0.16 0.07 -0.03 0.37 0.00 0.00 175.52 176.00 2wd7 h MET 136 N 0.79 0.15 -0.41 6.66 1.85 -0.72 -1.17 114.93 122.08 2wd7 h MET 136 Ca 0.21 -0.01 -0.12 0.00 -0.61 0.00 0.00 59.70 59.17 2wd7 h MET 136 Cb -0.05 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 31.93 2wd7 h MET 136 CO -0.04 0.13 -0.22 0.77 -0.40 0.00 0.00 176.91 177.15 2wd7 h SER 137 N 0.13 0.84 -0.28 1.39 0.02 -1.00 -1.28 113.55 113.37 2wd7 h SER 137 Ca 0.04 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2wd7 h SER 137 Cb 0.01 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 2wd7 h SER 137 CO -0.01 1.04 0.13 0.15 -1.14 0.00 0.00 176.83 176.99 2wd7 h PHE 138 N 0.72 0.41 -0.11 3.45 3.57 -0.49 -2.39 116.94 122.11 2wd7 h PHE 138 Ca 0.10 -0.02 -0.21 0.00 3.53 0.00 0.00 57.97 61.36 2wd7 h PHE 138 Cb 0.75 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2wd7 h PHE 138 CO 0.04 0.39 -0.78 0.00 -2.23 0.00 0.00 178.31 175.73 2wd7 h ALA 139 N 0.98 0.42 -0.17 2.41 0.00 -1.08 -3.09 119.26 118.74 2wd7 h ALA 139 Ca 0.09 -0.61 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2wd7 h ALA 139 Cb 0.14 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wd7 h ALA 139 CO -0.01 0.72 -0.08 1.96 0.00 0.00 0.00 179.25 181.84 2wd7 h GLN 140 N 0.41 0.26 0.00 0.00 4.20 -1.22 -2.02 115.11 116.75 2wd7 h GLN 140 Ca -0.05 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2wd7 h GLN 140 Cb 1.39 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2wd7 h GLN 140 CO 0.15 0.35 0.00 0.54 -0.67 0.00 0.00 178.83 179.20 2wd7 n ARG 141 N -4.31 0.04 -0.39 1.46 5.12 -0.90 -5.09 116.66 112.58 2wd7 n ARG 141 Ca -0.00 0.08 -0.06 0.00 -1.93 0.00 0.00 57.85 55.94 2wd7 n ARG 141 Cb 0.24 -1.55 0.04 0.00 -1.16 0.00 0.00 32.46 30.02 2wd7 n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2wd7 n GLN 142 N -1.62 -0.24 -0.38 5.56 1.13 -0.76 -5.06 117.38 116.01 2wd7 n GLN 142 Ca 0.06 -0.41 0.00 0.00 -1.94 0.00 0.00 57.00 54.71 2wd7 n GLN 142 Cb 0.32 -0.27 0.00 0.00 0.11 0.00 0.00 30.24 30.40 2wd7 n GLN 142 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2wd7 n ASN 153 N -3.17 -0.34 -4.74 1.08 5.15 -1.26 -5.14 115.26 106.84 2wd7 n ASN 153 Ca 0.03 -0.21 -0.39 0.00 -0.60 0.00 0.00 54.58 53.41 2wd7 n ASN 153 Cb 0.12 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.31 2wd7 n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2wd7 s LEU 154 N 0.00 4.37 0.19 1.20 1.43 -1.26 -4.85 118.68 119.76 2wd7 s LEU 154 Ca 0.00 1.20 -0.17 0.00 -1.03 0.00 0.00 54.13 54.13 2wd7 s LEU 154 Cb 0.00 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.22 2wd7 s LEU 154 CO 0.00 -0.01 0.50 -0.94 0.23 0.00 0.00 176.35 176.13 2wd7 s SER 155 N 0.30 -0.23 -0.05 2.29 1.04 -0.82 -1.94 113.70 114.29 2wd7 s SER 155 Ca 0.35 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.31 2wd7 s SER 155 Cb -0.18 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.50 2wd7 s SER 155 CO 0.18 -1.03 -0.17 -0.63 0.98 0.00 0.00 173.24 172.57 2wd7 s ILE 156 N -3.88 1.43 -0.10 -1.02 1.01 -0.15 -2.22 121.20 116.26 2wd7 s ILE 156 Ca 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2wd7 s ILE 156 Cb -0.01 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.24 2wd7 s ILE 156 CO -0.03 0.41 -0.23 -0.69 0.00 0.00 0.00 174.94 174.41 2wd7 s VAL 157 N 0.07 1.97 -0.17 2.92 1.01 0.03 -1.04 120.40 125.19 2wd7 s VAL 157 Ca -0.05 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 2wd7 s VAL 157 Cb -0.12 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 2wd7 s VAL 157 CO 0.02 0.54 0.02 0.20 0.00 0.00 0.00 175.10 175.89 2wd7 s ASN 158 N 0.44 5.33 -0.44 3.32 0.01 0.04 -1.09 114.94 122.54 2wd7 s ASN 158 Ca -0.17 0.01 -0.27 0.00 -0.71 0.00 0.00 52.86 51.72 2wd7 s ASN 158 Cb -0.17 -1.89 0.03 0.00 0.41 0.00 0.00 41.25 39.62 2wd7 s ASN 158 CO 0.07 0.18 1.02 -0.76 -1.51 0.00 0.00 177.10 176.10 2wd7 s LEU 159 N 0.32 3.86 0.00 0.60 2.01 -0.20 -1.29 118.68 123.97 2wd7 s LEU 159 Ca 0.01 0.40 0.00 0.00 0.01 0.00 0.00 54.13 54.55 2wd7 s LEU 159 Cb -0.13 -3.36 0.00 0.00 0.01 0.00 0.00 46.19 42.71 2wd7 s LEU 159 CO 0.01 -1.08 0.00 0.00 1.01 0.00 0.00 176.35 176.30 2wd7 s ASP 161 N -0.73 -0.75 0.53 0.00 -1.08 -1.26 -4.34 116.67 109.04 2wd7 s ASP 161 Ca 0.00 1.30 0.35 0.00 -0.52 0.00 0.00 52.55 53.69 2wd7 s ASP 161 Cb 0.00 1.76 1.80 0.00 -1.46 0.00 0.00 42.92 45.02 2wd7 s ASP 161 CO 0.00 -0.22 2.07 0.00 0.52 0.00 0.00 175.17 177.54 2wd7 h ALA 162 N 7.92 1.00 -0.54 3.66 0.00 -0.90 -2.94 119.26 127.46 2wd7 h ALA 162 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2wd7 h ALA 162 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2wd7 h ALA 162 CO 0.13 0.00 0.00 -1.33 0.00 0.00 0.00 179.25 178.05 2wd7 n MET 163 N -2.81 3.77 -0.11 0.00 2.81 -1.26 -4.61 117.12 114.91 2wd7 n MET 163 Ca -0.01 -2.87 0.25 0.00 -1.81 0.00 0.00 57.70 53.26 2wd7 n MET 163 Cb 0.12 -1.91 0.70 0.00 -0.71 0.00 0.00 33.22 31.43 2wd7 n MET 163 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2wd7 h VAL 164 N 3.49 0.63 -0.01 2.03 3.04 -1.92 -0.57 116.25 122.94 2wd7 h VAL 164 Ca 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 2wd7 h VAL 164 Cb 1.50 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2wd7 h VAL 164 CO 0.26 0.00 -0.38 0.47 -1.01 0.00 0.00 177.57 176.92 2wd7 n ASP 165 N -4.32 1.64 -3.20 3.17 8.00 -1.26 -4.34 116.55 116.24 2wd7 n ASP 165 Ca 0.15 -1.28 -0.23 0.00 0.71 0.00 0.00 54.79 54.14 2wd7 n ASP 165 Cb 0.81 0.33 -0.06 0.00 -0.02 0.00 0.00 41.12 42.18 2wd7 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wd7 n GLN 166 N -0.24 1.34 -1.57 -1.24 6.02 -0.23 -5.13 117.38 116.33 2wd7 n GLN 166 Ca 0.11 -3.67 -0.31 0.00 -0.01 0.00 0.00 57.00 53.12 2wd7 n GLN 166 Cb 0.42 -1.64 0.07 0.00 1.02 0.00 0.00 30.24 30.11 2wd7 n GLN 166 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2wd7 s PRO 167 N -2.02 2.56 0.32 -1.09 0.04 -1.14 -4.90 135.00 128.77 2wd7 s PRO 167 Ca 0.39 0.80 -0.29 0.00 0.04 0.00 0.00 61.00 61.94 2wd7 s PRO 167 Cb 0.24 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.71 2wd7 s PRO 167 CO -0.09 -1.33 1.45 0.00 0.04 0.00 0.00 177.00 177.07 2wd7 n MET 169 N 1.36 2.32 -1.36 0.00 1.56 -1.26 -2.66 117.12 117.08 2wd7 n MET 169 Ca 0.04 0.82 -0.12 0.00 -0.27 0.00 0.00 57.70 58.17 2wd7 n MET 169 Cb 0.40 -2.52 -0.05 0.00 2.15 0.00 0.00 33.22 33.19 2wd7 n MET 169 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2wd7 n ALA 170 N 1.71 -0.19 -1.71 -5.12 0.00 -1.26 -4.92 120.51 109.02 2wd7 n ALA 170 Ca 0.09 0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.42 2wd7 n ALA 170 Cb 0.34 -1.48 0.05 0.00 0.00 0.00 0.00 19.45 18.37 2wd7 n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wd7 n PHE 171 N -2.57 3.04 -0.02 0.00 3.01 -1.09 -0.13 117.46 119.72 2wd7 n PHE 171 Ca -0.12 -2.68 -0.09 0.00 1.01 0.00 0.00 57.45 55.57 2wd7 n PHE 171 Cb 0.44 -0.93 -0.02 0.00 -0.01 0.00 0.00 39.48 38.96 2wd7 n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 2wd7 h SER 172 N 2.18 -0.63 -0.05 4.37 0.02 -1.84 0.51 113.55 118.10 2wd7 h SER 172 Ca 0.50 0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.55 2wd7 h SER 172 Cb 1.04 0.30 -0.00 0.00 0.14 0.00 0.00 62.40 63.87 2wd7 h SER 172 CO 1.22 -0.25 0.01 -0.07 -1.14 0.00 0.00 176.83 176.60 2wd7 h LEU 173 N -0.24 0.08 -0.35 5.07 3.38 -1.89 0.44 115.31 121.80 2wd7 h LEU 173 Ca 0.11 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.93 2wd7 h LEU 173 Cb 0.40 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.06 2wd7 h LEU 173 CO -0.31 0.29 -0.10 0.22 0.09 0.00 0.00 178.44 178.63 2wd7 h TYR 174 N -0.13 -0.21 -0.70 1.13 3.20 -1.81 0.47 116.97 118.92 2wd7 h TYR 174 Ca 0.02 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 2wd7 h TYR 174 Cb 0.24 0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 2wd7 h TYR 174 CO 0.00 -0.16 0.33 -0.97 -1.64 0.00 0.00 178.16 175.73 2wd7 h ASN 175 N -0.01 0.91 -0.42 -2.11 -0.00 -0.56 -0.74 115.58 112.66 2wd7 h ASN 175 Ca 0.17 -0.13 0.05 0.00 -0.00 0.00 0.00 56.30 56.39 2wd7 h ASN 175 Cb 0.27 -0.23 -0.05 0.00 -0.00 0.00 0.00 38.32 38.31 2wd7 h ASN 175 CO -0.37 0.79 0.16 0.24 -0.00 0.00 0.00 177.43 178.25 2wd7 h MET 176 N 0.97 0.32 -0.38 6.67 2.86 0.15 -0.77 114.93 124.75 2wd7 h MET 176 Ca 0.24 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 2wd7 h MET 176 Cb 0.12 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.66 2wd7 h MET 176 CO -0.03 0.21 0.12 0.78 1.06 0.00 0.00 176.91 179.06 2wd7 h GLY 177 N 0.33 0.48 1.56 8.32 0.00 -0.13 -0.45 103.07 113.18 2wd7 h GLY 177 Ca 0.19 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.34 2wd7 h GLY 177 CO -0.19 0.02 -0.34 0.50 0.00 0.00 0.00 176.54 176.53 2wd7 h LYS 178 N 0.27 0.50 -0.39 4.80 1.79 -0.94 -1.86 116.57 120.75 2wd7 h LYS 178 Ca 0.18 -0.22 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2wd7 h LYS 178 Cb 0.17 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2wd7 h LYS 178 CO -0.19 0.78 0.12 0.45 -1.08 0.00 0.00 179.45 179.52 2wd7 h HIS 179 N 0.43 0.63 -0.89 -1.35 3.86 -0.87 -2.55 115.15 114.41 2wd7 h HIS 179 Ca 0.05 -0.07 0.14 0.00 -1.16 0.00 0.00 60.37 59.34 2wd7 h HIS 179 Cb 0.80 -0.18 -0.09 0.00 1.06 0.00 0.00 27.41 28.99 2wd7 h HIS 179 CO 0.03 0.60 0.49 0.00 0.86 0.00 0.00 177.93 179.91 2wd7 h ALA 180 N 0.96 1.36 -0.47 2.45 0.00 -0.88 -1.86 119.26 120.82 2wd7 h ALA 180 Ca 0.12 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 2wd7 h ALA 180 Cb 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2wd7 h ALA 180 CO -0.00 -0.02 0.14 1.25 0.00 0.00 0.00 179.25 180.61 2wd7 h LEU 181 N 0.71 0.64 -0.25 0.00 5.85 -1.08 0.21 115.31 121.38 2wd7 h LEU 181 Ca 0.48 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 59.08 2wd7 h LEU 181 Cb 0.64 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2wd7 h LEU 181 CO -0.34 0.61 0.05 0.58 -0.34 0.00 0.00 178.44 179.00 2wd7 h VAL 182 N 0.68 1.22 -0.72 1.05 2.07 -0.98 -0.05 116.25 119.53 2wd7 h VAL 182 Ca 0.16 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2wd7 h VAL 182 Cb 0.21 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2wd7 h VAL 182 CO -0.01 0.24 0.46 1.23 0.02 0.00 0.00 177.57 179.51 2wd7 h GLY 183 N 0.23 1.03 0.97 2.17 0.00 -0.78 -1.72 103.07 104.97 2wd7 h GLY 183 Ca 0.08 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.06 2wd7 h GLY 183 CO 0.00 0.31 0.15 -2.00 0.00 0.00 0.00 176.54 175.01 2wd7 h LEU 184 N 0.91 0.26 -0.31 3.11 5.85 -0.28 -1.25 115.31 123.60 2wd7 h LEU 184 Ca 0.28 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 59.06 2wd7 h LEU 184 Cb -0.01 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 2wd7 h LEU 184 CO -0.10 0.19 -0.03 0.74 -0.34 0.00 0.00 178.44 178.90 2wd7 h THR 185 N 0.32 0.74 0.07 1.05 2.02 -0.54 0.44 112.91 117.01 2wd7 h THR 185 Ca 0.09 -0.02 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 2wd7 h THR 185 Cb -0.02 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.08 2wd7 h THR 185 CO -0.03 0.01 -0.04 1.56 0.37 0.00 0.00 175.52 177.39 2wd7 h GLN 186 N 0.05 -0.10 -0.50 6.66 4.20 -1.24 -1.23 115.11 122.96 2wd7 h GLN 186 Ca 0.15 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 2wd7 h GLN 186 Cb 0.21 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 2wd7 h GLN 186 CO -0.28 0.12 0.31 0.77 -0.67 0.00 0.00 178.83 179.08 2wd7 h SER 187 N -0.30 0.59 -0.20 1.46 0.02 -1.04 -1.94 113.55 112.15 2wd7 h SER 187 Ca -0.01 -0.05 -0.19 0.00 -0.84 0.00 0.00 61.79 60.71 2wd7 h SER 187 Cb 0.26 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.65 2wd7 h SER 187 CO 0.02 0.46 -0.58 0.00 -1.14 0.00 0.00 176.83 175.59 2wd7 h ALA 188 N 1.15 0.50 -0.38 3.77 0.00 -0.93 -1.95 119.26 121.42 2wd7 h ALA 188 Ca 0.18 -0.53 0.07 0.00 0.00 0.00 0.00 54.91 54.64 2wd7 h ALA 188 Cb -0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 2wd7 h ALA 188 CO -0.03 0.69 -0.05 0.00 0.00 0.00 0.00 179.25 179.85 2wd7 h ALA 189 N 0.74 0.30 0.19 0.00 0.00 -1.13 0.33 119.26 119.70 2wd7 h ALA 189 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2wd7 h ALA 189 Cb 1.18 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 2wd7 h ALA 189 CO 0.12 -0.43 -0.20 1.25 0.00 0.00 0.00 179.25 180.00 2wd7 h LEU 190 N 0.05 -0.53 -0.20 0.00 5.85 -1.23 -2.28 115.31 116.98 2wd7 h LEU 190 Ca 0.19 0.05 -0.20 0.00 0.84 0.00 0.00 57.88 58.76 2wd7 h LEU 190 Cb 0.28 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2wd7 h LEU 190 CO -0.36 -0.29 -0.92 -0.08 -0.34 0.00 0.00 178.44 176.45 2wd7 h GLU 191 N -0.42 0.06 0.00 1.25 4.81 -1.02 -3.29 114.58 115.96 2wd7 h GLU 191 Ca 0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2wd7 h GLU 191 Cb 0.40 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2wd7 h GLU 191 CO -0.05 0.93 -0.86 1.28 -0.73 0.00 0.00 179.01 179.59 2wd7 n LEU 192 N -3.52 0.63 -0.34 1.64 4.77 0.11 -4.27 117.00 116.03 2wd7 n LEU 192 Ca -0.02 -0.02 0.16 0.00 -0.03 0.00 0.00 56.01 56.11 2wd7 n LEU 192 Cb 0.86 -0.13 0.38 0.00 -2.33 0.00 0.00 43.42 42.19 2wd7 n LEU 192 CO 0.47 0.06 1.19 0.00 -1.33 0.00 0.00 177.39 177.78 2wd7 h ALA 193 N 2.67 1.83 0.00 -1.18 0.00 -1.46 -0.93 119.26 120.19 2wd7 h ALA 193 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2wd7 h ALA 193 Cb 0.66 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wd7 h ALA 193 CO 0.00 -0.23 -0.02 -1.35 0.00 0.00 0.00 179.25 177.65 2wd7 h PRO 194 N 0.63 0.00 -0.14 0.00 0.11 -1.79 -0.64 132.00 130.17 2wd7 h PRO 194 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 2wd7 h PRO 194 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wd7 h PRO 194 CO -0.39 0.02 0.00 0.66 -0.21 0.00 0.00 178.00 178.09 2wd7 n TYR 195 N -4.10 0.18 -1.34 0.65 4.02 -0.39 -4.93 117.16 111.26 2wd7 n TYR 195 Ca -0.03 -0.09 -0.10 0.00 -0.01 0.00 0.00 57.90 57.67 2wd7 n TYR 195 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.39 2wd7 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2wd7 n GLY 196 N 1.02 1.08 3.57 2.72 0.00 -0.25 -5.00 105.19 108.33 2wd7 n GLY 196 Ca 0.15 -0.57 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 2wd7 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wd7 s ILE 197 N -2.38 5.28 0.24 -0.61 1.01 -1.00 -4.28 121.20 119.46 2wd7 s ILE 197 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.58 2wd7 s ILE 197 Cb 0.00 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.81 2wd7 s ILE 197 CO 0.00 0.16 0.56 -0.13 0.00 0.00 0.00 174.94 175.53 2wd7 s ARG 198 N 1.74 3.80 -0.07 2.79 0.52 -0.82 -3.58 118.95 123.34 2wd7 s ARG 198 Ca 0.07 0.28 -0.03 0.00 -0.52 0.00 0.00 55.73 55.53 2wd7 s ARG 198 Cb -0.16 -2.64 0.04 0.00 0.52 0.00 0.00 34.95 32.70 2wd7 s ARG 198 CO 0.11 0.31 0.07 0.08 0.02 0.00 0.00 175.30 175.88 2wd7 s VAL 199 N -1.83 -0.10 0.25 3.52 1.01 -1.26 -0.98 120.40 121.01 2wd7 s VAL 199 Ca 0.47 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.75 2wd7 s VAL 199 Cb -0.11 -0.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2wd7 s VAL 199 CO 0.21 0.07 0.14 0.20 0.00 0.00 0.00 175.10 175.72 2wd7 s ASN 200 N 2.16 0.89 0.09 3.32 0.01 -0.21 -0.36 114.94 120.84 2wd7 s ASN 200 Ca 0.04 -1.46 0.06 0.00 -0.71 0.00 0.00 52.86 50.80 2wd7 s ASN 200 Cb -0.13 0.34 -0.03 0.00 0.41 0.00 0.00 41.25 41.83 2wd7 s ASN 200 CO -0.05 -0.84 -0.16 -0.83 -1.51 0.00 0.00 177.10 173.71 2wd7 s GLY 201 N -3.27 1.02 -0.13 0.66 0.00 0.50 -0.78 107.32 105.32 2wd7 s GLY 201 Ca 0.38 -1.13 0.02 0.00 0.00 0.00 0.00 44.72 43.99 2wd7 s GLY 201 CO 0.15 -1.15 -0.20 0.14 0.00 0.00 0.00 173.10 172.04 2wd7 s VAL 202 N -1.37 2.31 -0.47 1.40 1.01 -0.41 -0.95 120.40 121.92 2wd7 s VAL 202 Ca 0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.11 2wd7 s VAL 202 Cb -0.09 -1.93 0.12 0.00 0.00 0.00 0.00 36.38 34.48 2wd7 s VAL 202 CO 0.03 0.54 0.22 0.00 0.00 0.00 0.00 175.10 175.89 2wd7 s ALA 203 N 0.59 3.21 0.71 5.51 0.00 0.15 -0.05 121.76 131.89 2wd7 s ALA 203 Ca -0.11 -2.94 -0.14 0.00 0.00 0.00 0.00 51.96 48.77 2wd7 s ALA 203 Cb -0.16 -2.24 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2wd7 s ALA 203 CO 0.03 -1.90 1.16 -2.14 0.00 0.00 0.00 175.76 172.91 2wd7 s PRO 204 N 0.34 2.35 0.00 0.00 0.02 -1.26 -0.55 135.00 135.88 2wd7 s PRO 204 Ca 0.14 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2wd7 s PRO 204 Cb -0.22 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.42 2wd7 s PRO 204 CO -0.04 -1.63 0.00 0.41 -0.33 0.00 0.00 177.00 175.41 2wd7 n GLY 205 N -0.08 0.09 3.27 0.52 0.00 -1.19 -0.48 105.19 107.32 2wd7 n GLY 205 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wd7 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wd7 s VAL 206 N 0.00 3.17 0.00 1.61 1.01 -1.26 -4.84 120.40 120.09 2wd7 s VAL 206 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2wd7 s VAL 206 Cb 0.00 -2.47 0.00 0.00 0.00 0.00 0.00 36.38 33.91 2wd7 s VAL 206 CO 0.00 0.38 0.00 -0.24 0.00 0.00 0.00 175.10 175.24 2wd7 n SER 207 N 4.76 0.00 -4.58 3.32 2.88 -1.26 -1.22 113.62 117.53 2wd7 n SER 207 Ca -0.18 0.00 -0.51 0.00 -1.33 0.00 0.00 58.87 56.85 2wd7 n SER 207 Cb 0.50 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.90 2wd7 n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wd7 n LEU 208 N 0.00 2.61 -4.82 2.46 4.77 -1.20 -4.58 117.00 116.24 2wd7 n LEU 208 Ca 0.00 0.70 -0.33 0.00 -0.03 0.00 0.00 56.01 56.35 2wd7 n LEU 208 Cb 0.00 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 39.78 2wd7 n LEU 208 CO 0.00 -0.47 0.69 -0.76 -1.33 0.00 0.00 177.39 175.52 2wd7 s LEU 209 N 5.67 3.73 0.64 2.23 1.43 -1.26 -4.97 118.68 126.16 2wd7 s LEU 209 Ca 1.02 1.75 -0.17 0.00 -1.03 0.00 0.00 54.13 55.70 2wd7 s LEU 209 Cb -0.83 -4.54 -0.08 0.00 0.03 0.00 0.00 46.19 40.77 2wd7 s LEU 209 CO 0.53 -0.71 0.38 -2.65 0.23 0.00 0.00 176.35 174.13 2wd7 n PRO 210 N -1.28 0.33 -0.26 1.29 -0.02 -1.26 -4.87 135.00 128.93 2wd7 n PRO 210 Ca 0.08 0.14 -0.06 0.00 -2.02 0.00 0.00 63.50 61.64 2wd7 n PRO 210 Cb 0.53 -1.63 0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2wd7 n PRO 210 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 2wd7 h VAL 211 N -0.10 1.23 -0.77 -1.45 3.04 -2.04 -3.05 116.25 113.11 2wd7 h VAL 211 Ca -0.45 -0.60 -0.03 0.00 -1.01 0.00 0.00 66.70 64.61 2wd7 h VAL 211 Cb 1.38 0.30 -0.04 0.00 -2.01 0.00 0.00 31.29 30.93 2wd7 h VAL 211 CO 0.43 0.26 0.36 0.00 -1.01 0.00 0.00 177.57 177.62 2wd7 h ALA 212 N 1.19 0.99 -1.75 3.17 0.00 -2.04 -3.46 119.26 117.35 2wd7 h ALA 212 Ca 0.25 -0.16 -0.67 0.00 0.00 0.00 0.00 54.91 54.33 2wd7 h ALA 212 Cb 0.07 -0.30 0.05 0.00 0.00 0.00 0.00 17.79 17.61 2wd7 h ALA 212 CO -0.04 0.56 0.60 -0.12 0.00 0.00 0.00 179.25 180.25 2wd7 n MET 213 N -4.37 1.32 -1.99 0.00 0.00 -1.16 -4.93 117.12 105.99 2wd7 n MET 213 Ca 0.07 0.48 -0.39 0.00 0.00 0.00 0.00 57.70 57.85 2wd7 n MET 213 Cb 0.14 -2.15 0.00 0.00 0.00 0.00 0.00 33.22 31.21 2wd7 n MET 213 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2wd7 s GLY 214 N 1.17 2.91 0.31 -5.12 0.00 -1.26 -4.82 107.32 100.51 2wd7 s GLY 214 Ca 0.86 1.27 0.07 0.00 0.00 0.00 0.00 44.72 46.92 2wd7 s GLY 214 CO 0.49 1.85 1.76 0.83 0.00 0.00 0.00 173.10 178.02 2wd7 h GLU 215 N 2.47 0.66 -0.42 2.90 4.39 -1.99 0.72 114.58 123.32 2wd7 h GLU 215 Ca -0.50 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.14 2wd7 h GLU 215 Cb 1.25 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.73 2wd7 h GLU 215 CO 0.62 0.44 0.19 1.05 -1.16 0.00 0.00 179.01 180.14 2wd7 h GLU 216 N 0.68 0.58 0.14 2.33 9.09 -1.99 0.85 114.58 126.26 2wd7 h GLU 216 Ca 0.60 -0.07 -0.28 0.00 0.05 0.00 0.00 59.36 59.66 2wd7 h GLU 216 Cb 1.00 -0.11 0.01 0.00 -1.65 0.00 0.00 28.75 28.00 2wd7 h GLU 216 CO -0.42 0.47 -1.25 1.49 0.05 0.00 0.00 179.01 179.34 2wd7 h GLU 217 N 0.59 0.30 -0.88 1.06 4.81 -1.32 -3.17 114.58 115.97 2wd7 h GLU 217 Ca 0.15 -0.51 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 2wd7 h GLU 217 Cb 0.08 0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 2wd7 h GLU 217 CO -0.02 1.24 0.52 0.87 -0.73 0.00 0.00 179.01 180.89 2wd7 h LYS 218 N 0.09 1.20 -0.52 1.92 1.57 -0.67 -2.63 116.57 117.52 2wd7 h LYS 218 Ca -0.14 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 58.55 2wd7 h LYS 218 Cb 1.98 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 34.01 2wd7 h LYS 218 CO 0.21 0.85 0.35 -0.44 -0.57 0.00 0.00 179.45 179.84 2wd7 h ASP 219 N 1.21 0.51 -0.57 0.86 5.19 -0.90 -0.91 116.42 121.82 2wd7 h ASP 219 Ca 0.32 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.73 2wd7 h ASP 219 Cb -0.04 -0.12 -0.03 0.00 0.18 0.00 0.00 39.33 39.32 2wd7 h ASP 219 CO -0.06 0.35 0.37 0.11 -3.12 0.00 0.00 179.24 176.89 2wd7 h LYS 220 N 0.59 0.73 -0.07 3.56 1.57 -1.44 -0.68 116.57 120.84 2wd7 h LYS 220 Ca 0.21 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 2wd7 h LYS 220 Cb 0.10 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2wd7 h LYS 220 CO -0.05 0.48 -0.06 -1.49 -0.57 0.00 0.00 179.45 177.76 2wd7 h TRP 221 N 0.75 0.20 -0.73 -1.35 4.06 -1.44 -3.21 115.95 114.23 2wd7 h TRP 221 Ca 0.21 -0.05 0.07 0.00 2.06 0.00 0.00 58.89 61.18 2wd7 h TRP 221 Cb -0.07 -0.04 -0.06 0.00 -1.00 0.00 0.00 29.16 27.99 2wd7 h TRP 221 CO -0.04 0.58 0.41 0.00 -3.56 0.00 0.00 178.44 175.83 2wd7 h ARG 222 N -0.24 0.72 -0.00 0.49 3.08 -1.09 -0.79 114.38 116.53 2wd7 h ARG 222 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2wd7 h ARG 222 Cb 0.54 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wd7 h ARG 222 CO 0.01 0.48 0.01 0.00 -1.07 0.00 0.00 179.97 179.40 2wd7 h ARG 223 N 0.74 0.00 0.00 0.04 3.08 -1.14 -2.76 114.38 114.34 2wd7 h ARG 223 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2wd7 h ARG 223 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2wd7 h ARG 223 CO -0.20 0.00 0.00 0.87 -1.07 0.00 0.00 179.97 179.57 2wd7 h LYS 224 N 0.00 0.00 -6.22 0.04 1.57 -1.14 -3.45 116.57 107.37 2wd7 h LYS 224 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 2wd7 h LYS 224 Cb 0.03 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.25 2wd7 h LYS 224 CO -0.00 0.00 0.67 0.08 -0.57 0.00 0.00 179.45 179.63 2wd7 s VAL 225 N -3.20 4.49 0.15 0.50 1.01 -1.05 -4.75 120.40 117.55 2wd7 s VAL 225 Ca 0.08 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 63.00 2wd7 s VAL 225 Cb 0.08 -4.41 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2wd7 s VAL 225 CO 0.63 -0.69 1.71 -0.65 0.00 0.00 0.00 175.10 176.10 2wd7 h PRO 226 N 8.74 0.12 -5.96 2.72 0.11 -1.84 -1.45 132.00 134.43 2wd7 h PRO 226 Ca -0.23 -0.01 -0.60 0.00 0.11 0.00 0.00 66.00 65.27 2wd7 h PRO 226 Cb 1.07 -0.03 -0.09 0.00 0.11 0.00 0.00 31.00 32.07 2wd7 h PRO 226 CO 1.02 0.08 1.72 -1.17 -0.21 0.00 0.00 178.00 179.44 2wd7 s LEU 227 N -10.42 3.60 0.00 2.35 2.96 -0.72 -4.21 118.68 112.24 2wd7 s LEU 227 Ca -0.13 -1.81 0.00 0.00 -0.22 0.00 0.00 54.13 51.96 2wd7 s LEU 227 Cb 0.12 -2.57 0.00 0.00 0.50 0.00 0.00 46.19 44.24 2wd7 s LEU 227 CO 0.70 -1.51 0.00 0.61 -1.32 0.00 0.00 176.35 174.83 2wd7 n GLY 228 N 6.25 1.24 3.80 7.98 0.00 -1.26 -4.35 105.19 118.84 2wd7 n GLY 228 Ca 0.40 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.17 2wd7 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wd7 n ARG 229 N -2.00 -5.09 -3.81 1.61 3.00 -0.55 -4.97 116.66 104.84 2wd7 n ARG 229 Ca 0.00 0.60 -0.10 0.00 -0.01 0.00 0.00 57.85 58.34 2wd7 n ARG 229 Cb 0.00 -5.27 -0.08 0.00 0.00 0.00 0.00 32.46 27.11 2wd7 n ARG 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2wd7 s ARG 230 N -6.26 0.77 0.65 5.56 1.70 -1.20 -4.38 118.95 115.79 2wd7 s ARG 230 Ca 0.26 -0.66 -0.10 0.00 -0.47 0.00 0.00 55.73 54.76 2wd7 s ARG 230 Cb -0.13 0.32 -0.01 0.00 -0.57 0.00 0.00 34.95 34.57 2wd7 s ARG 230 CO 0.82 -0.24 1.03 -1.83 -1.08 0.00 0.00 175.30 174.00 2wd7 s GLU 231 N -2.87 3.15 0.31 3.89 1.03 -1.26 -4.87 118.70 118.07 2wd7 s GLU 231 Ca -0.03 0.47 -0.29 0.00 0.03 0.00 0.00 54.97 55.16 2wd7 s GLU 231 Cb 0.00 -2.10 -0.10 0.00 -0.80 0.00 0.00 34.13 31.14 2wd7 s GLU 231 CO -0.05 -0.78 1.18 0.00 -1.33 0.00 0.00 175.26 174.27 2wd7 s ALA 232 N -3.21 3.41 0.83 -0.84 0.00 -0.35 -4.94 121.76 116.66 2wd7 s ALA 232 Ca 0.56 1.03 -0.11 0.00 0.00 0.00 0.00 51.96 53.44 2wd7 s ALA 232 Cb -0.11 -3.39 0.09 0.00 0.00 0.00 0.00 23.12 19.71 2wd7 s ALA 232 CO 0.51 -0.37 1.09 -1.54 0.00 0.00 0.00 175.76 175.45 2wd7 s SER 233 N -0.77 4.15 0.33 0.00 1.04 -1.26 -3.23 113.70 113.96 2wd7 s SER 233 Ca 0.47 1.40 0.06 0.00 0.48 0.00 0.00 55.95 58.36 2wd7 s SER 233 Cb -0.35 -2.12 0.57 0.00 0.10 0.00 0.00 66.02 64.22 2wd7 s SER 233 CO 0.45 -2.20 1.80 0.00 0.98 0.00 0.00 173.24 174.28 2wd7 h ALA 234 N -1.25 1.27 -0.70 5.32 0.00 -1.96 -2.87 119.26 119.09 2wd7 h ALA 234 Ca -0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.12 2wd7 h ALA 234 Cb 1.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 2wd7 h ALA 234 CO 0.57 0.48 0.35 0.93 0.00 0.00 0.00 179.25 181.59 2wd7 h GLU 235 N 0.34 1.00 -0.67 0.00 3.07 -1.92 0.83 114.58 117.22 2wd7 h GLU 235 Ca 0.06 -0.14 -0.03 0.00 -0.50 0.00 0.00 59.36 58.76 2wd7 h GLU 235 Cb 0.54 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 28.24 2wd7 h GLU 235 CO 0.04 0.77 0.31 1.96 -1.40 0.00 0.00 179.01 180.69 2wd7 h GLN 236 N 0.97 0.98 -0.27 2.33 4.20 -1.89 0.17 115.11 121.59 2wd7 h GLN 236 Ca 0.24 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.82 2wd7 h GLN 236 Cb 0.09 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 2wd7 h GLN 236 CO -0.03 0.78 0.15 0.82 -0.67 0.00 0.00 178.83 179.88 2wd7 h ILE 237 N 0.94 1.02 -0.48 2.54 1.08 -1.30 -2.99 117.51 118.32 2wd7 h ILE 237 Ca 0.23 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.57 2wd7 h ILE 237 Cb 0.14 0.67 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 2wd7 h ILE 237 CO -0.03 0.06 0.22 0.00 -0.69 0.00 0.00 178.15 177.71 2wd7 h ALA 238 N 1.13 1.49 -0.76 1.87 0.00 -0.17 -2.72 119.26 120.10 2wd7 h ALA 238 Ca 0.11 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.05 2wd7 h ALA 238 Cb 0.01 -0.20 -0.09 0.00 0.00 0.00 0.00 17.79 17.51 2wd7 h ALA 238 CO -0.06 0.40 0.33 -0.44 0.00 0.00 0.00 179.25 179.49 2wd7 h ASP 239 N 0.67 0.35 -0.08 0.00 3.32 -0.53 -0.72 116.42 119.42 2wd7 h ASP 239 Ca 0.17 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.21 2wd7 h ASP 239 Cb 0.08 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 2wd7 h ASP 239 CO -0.02 0.15 -0.27 0.00 -1.72 0.00 0.00 179.24 177.37 2wd7 h ALA 240 N 1.53 1.03 -0.23 3.45 0.00 -1.47 -1.31 119.26 122.25 2wd7 h ALA 240 Ca 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wd7 h ALA 240 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wd7 h ALA 240 CO -0.38 0.59 0.06 0.28 0.00 0.00 0.00 179.25 179.80 2wd7 h VAL 241 N 0.47 1.20 -0.46 0.00 2.07 -1.31 -1.66 116.25 116.56 2wd7 h VAL 241 Ca 0.06 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2wd7 h VAL 241 Cb 0.72 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 2wd7 h VAL 241 CO 0.06 0.21 0.19 0.40 0.02 0.00 0.00 177.57 178.45 2wd7 h ILE 242 N 0.20 0.90 -0.21 4.57 1.08 -1.05 -1.22 117.51 121.79 2wd7 h ILE 242 Ca 0.07 -0.13 0.06 0.00 -0.39 0.00 0.00 64.86 64.47 2wd7 h ILE 242 Cb 0.26 0.48 -0.06 0.00 -3.07 0.00 0.00 36.82 34.42 2wd7 h ILE 242 CO -0.00 0.07 -0.19 0.15 -0.69 0.00 0.00 178.15 177.49 2wd7 h PHE 243 N 0.39 -0.48 -0.08 1.37 3.57 -1.14 -2.61 116.94 117.96 2wd7 h PHE 243 Ca 0.21 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 2wd7 h PHE 243 Cb 0.17 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2wd7 h PHE 243 CO -0.13 -0.26 -0.23 -0.07 -2.23 0.00 0.00 178.31 175.39 2wd7 h LEU 244 N -0.20 0.13 0.00 0.59 3.38 -0.63 -2.13 115.31 116.45 2wd7 h LEU 244 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wd7 h LEU 244 Cb 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wd7 h LEU 244 CO -0.33 0.36 -0.08 1.33 0.09 0.00 0.00 178.44 179.82 2wd7 n VAL 245 N -4.22 0.24 -2.18 1.22 0.24 -0.52 -4.76 118.33 108.36 2wd7 n VAL 245 Ca -0.01 -0.12 -0.27 0.00 -2.04 0.00 0.00 64.34 61.89 2wd7 n VAL 245 Cb 0.32 -0.45 0.06 0.00 -1.47 0.00 0.00 33.84 32.29 2wd7 n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2wd7 s SER 246 N -3.65 5.08 0.44 -1.34 1.04 -0.80 -4.95 113.70 109.53 2wd7 s SER 246 Ca 0.12 0.66 0.29 0.00 0.48 0.00 0.00 55.95 57.51 2wd7 s SER 246 Cb 0.16 -1.41 1.60 0.00 0.10 0.00 0.00 66.02 66.47 2wd7 s SER 246 CO 0.58 -1.45 1.90 1.23 0.98 0.00 0.00 173.24 176.48 2wd7 h GLY 247 N -0.54 0.00 1.62 7.32 0.00 -1.91 -2.51 103.07 107.04 2wd7 h GLY 247 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2wd7 h GLY 247 CO 0.62 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.60 2wd7 n SER 248 N -2.54 0.00 -0.26 0.19 7.64 -1.26 -3.43 113.62 113.96 2wd7 n SER 248 Ca -0.02 -0.04 0.08 0.00 1.01 0.00 0.00 58.87 59.91 2wd7 n SER 248 Cb 0.05 -0.31 0.14 0.00 -1.01 0.00 0.00 64.21 63.09 2wd7 n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wd7 n ALA 249 N -1.31 2.57 0.22 -0.43 0.00 -0.94 -4.86 120.51 115.76 2wd7 n ALA 249 Ca 0.12 -2.67 0.12 0.00 0.00 0.00 0.00 53.44 51.01 2wd7 n ALA 249 Cb 0.22 -0.39 0.61 0.00 0.00 0.00 0.00 19.45 19.89 2wd7 n ALA 249 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2wd7 h GLN 250 N 0.26 0.00 -0.05 0.00 4.20 -1.69 -0.45 115.11 117.38 2wd7 h GLN 250 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2wd7 h GLN 250 Cb 1.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2wd7 h GLN 250 CO 0.00 0.00 0.00 0.98 -0.67 0.00 0.00 178.83 179.14 2wd7 n TYR 251 N -2.32 0.04 -3.15 2.96 9.36 -1.26 -4.94 117.16 117.86 2wd7 n TYR 251 Ca -0.01 -0.03 -0.42 0.00 3.32 0.00 0.00 57.90 60.76 2wd7 n TYR 251 Cb 0.08 -0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.72 2wd7 n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 2wd7 s ILE 252 N -1.20 4.92 -0.06 2.97 1.01 -0.18 -5.03 121.20 123.64 2wd7 s ILE 252 Ca 0.18 0.46 -0.09 0.00 0.00 0.00 0.00 60.65 61.20 2wd7 s ILE 252 Cb 0.12 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.56 2wd7 s ILE 252 CO 0.18 -0.31 0.22 0.28 0.00 0.00 0.00 174.94 175.31 2wd7 s THR 253 N 2.62 0.03 0.00 2.92 -1.32 -1.26 -4.65 115.64 113.98 2wd7 s THR 253 Ca 0.22 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 2wd7 s THR 253 Cb -0.15 -0.39 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 2wd7 s THR 253 CO 0.15 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 173.05 2wd7 n GLY 254 N 2.40 0.48 3.70 6.08 0.00 0.51 -4.96 105.19 113.40 2wd7 n GLY 254 Ca -0.16 -0.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 2wd7 n GLY 254 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wd7 s SER 255 N -2.53 5.34 -0.25 1.61 0.15 -1.26 -4.81 113.70 111.96 2wd7 s SER 255 Ca 0.00 0.17 -0.01 0.00 0.70 0.00 0.00 55.95 56.82 2wd7 s SER 255 Cb 0.00 -1.52 0.03 0.00 -1.71 0.00 0.00 66.02 62.82 2wd7 s SER 255 CO 0.00 0.38 -0.07 -0.63 1.20 0.00 0.00 173.24 174.12 2wd7 s ILE 256 N -0.90 2.69 -0.36 6.45 1.01 -1.26 -0.37 121.20 128.46 2wd7 s ILE 256 Ca 0.14 -1.17 -0.19 0.00 0.00 0.00 0.00 60.65 59.42 2wd7 s ILE 256 Cb -0.11 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 39.95 2wd7 s ILE 256 CO 0.03 0.15 0.58 -0.63 0.00 0.00 0.00 174.94 175.07 2wd7 s ILE 257 N 1.27 4.94 0.21 2.92 1.01 -0.12 -4.89 121.20 126.54 2wd7 s ILE 257 Ca -0.02 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.76 2wd7 s ILE 257 Cb -0.17 -4.04 -0.09 0.00 0.01 0.00 0.00 42.46 38.17 2wd7 s ILE 257 CO -0.05 -0.30 1.26 -0.54 0.00 0.00 0.00 174.94 175.31 2wd7 s LYS 258 N 2.58 4.43 -0.59 2.79 1.02 -1.26 -0.68 119.74 128.03 2wd7 s LYS 258 Ca 0.22 2.00 0.05 0.00 0.02 0.00 0.00 55.97 58.26 2wd7 s LYS 258 Cb -0.15 -3.20 0.20 0.00 -0.52 0.00 0.00 37.83 34.16 2wd7 s LYS 258 CO 0.14 -0.17 0.53 0.28 -0.92 0.00 0.00 175.35 175.21 2wd7 n VAL 259 N 2.38 0.93 -0.70 3.17 0.31 0.28 -4.87 118.33 119.82 2wd7 n VAL 259 Ca 0.05 -4.54 0.00 0.00 -0.01 0.00 0.00 64.34 59.83 2wd7 n VAL 259 Cb 0.43 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 31.34 2wd7 n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2wd7 n ASP 260 N 1.82 0.49 -1.94 4.52 5.75 -1.26 -3.16 116.55 122.77 2wd7 n ASP 260 Ca 0.25 -1.19 -0.17 0.00 -0.01 0.00 0.00 54.79 53.67 2wd7 n ASP 260 Cb 0.41 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.46 2wd7 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wd7 n GLY 261 N -0.10 0.60 1.41 6.12 0.00 -1.26 -1.48 105.19 110.48 2wd7 n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wd7 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wd7 n GLY 262 N -0.60 0.82 0.28 -0.02 0.00 -1.26 -1.75 105.19 102.66 2wd7 n GLY 262 Ca -0.18 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 2wd7 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wd7 h LEU 263 N 0.00 0.20 -0.25 0.99 5.85 -1.56 -1.36 115.31 119.18 2wd7 h LEU 263 Ca 0.00 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.85 2wd7 h LEU 263 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 2wd7 h LEU 263 CO 0.00 0.04 0.00 -1.54 -0.34 0.00 0.00 178.44 176.60 2wd7 n SER 264 N -5.06 0.19 -0.24 1.25 3.41 -1.26 -2.19 113.62 109.72 2wd7 n SER 264 Ca 0.16 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.45 2wd7 n SER 264 Cb 0.47 -0.59 0.43 0.00 -0.26 0.00 0.00 64.21 64.26 2wd7 n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wd7 n LEU 265 N -1.72 0.96 -4.57 1.04 4.77 -0.51 -4.85 117.00 112.11 2wd7 n LEU 265 Ca 0.02 -0.23 -0.41 0.00 -0.03 0.00 0.00 56.01 55.36 2wd7 n LEU 265 Cb 0.15 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2wd7 n LEU 265 CO 0.13 0.18 0.31 -0.69 -1.33 0.00 0.00 177.39 175.99 2wd7 s VAL 266 N -2.45 4.96 0.88 4.08 1.01 -0.93 -5.06 120.40 122.89 2wd7 s VAL 266 Ca 0.26 0.56 -0.11 0.00 0.00 0.00 0.00 61.98 62.68 2wd7 s VAL 266 Cb 0.20 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.69 2wd7 s VAL 266 CO 0.50 -0.21 1.09 -1.38 0.00 0.00 0.00 175.10 175.10 2wd7 s HIS 267 N 2.53 2.38 -2.00 5.22 -3.43 -1.26 -5.09 115.29 113.64 2wd7 s HIS 267 Ca 0.22 1.28 0.02 0.00 -0.80 0.00 0.00 55.06 55.78 2wd7 s HIS 267 Cb -0.15 -3.15 0.11 0.00 -1.43 0.00 0.00 32.58 27.96 2wd7 s HIS 267 CO 0.13 -2.29 0.60 0.00 -2.00 0.00 0.00 174.74 171.18