#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a6o n VAL 5 N 0.00 -0.11 -3.87 0.00 3.14 -1.26 -3.80 118.33 112.43 2a6o n VAL 5 Ca 0.00 0.61 -0.36 0.00 -2.96 0.00 0.00 64.34 61.64 2a6o n VAL 5 Cb 0.00 -0.85 -0.13 0.00 -1.06 0.00 0.00 33.84 31.80 2a6o n VAL 5 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 2a6o s LEU 6 N -8.87 3.99 0.59 6.55 1.98 -1.26 -4.52 118.68 117.15 2a6o s LEU 6 Ca -0.04 -1.24 0.04 0.00 -2.89 0.00 0.00 54.13 50.00 2a6o s LEU 6 Cb 0.07 -1.75 0.08 0.00 0.66 0.00 0.00 46.19 45.25 2a6o s LEU 6 CO 0.21 -0.28 0.82 -0.31 -1.89 0.00 0.00 176.35 174.90 2a6o s TYR 7 N 1.29 2.02 -0.03 5.38 1.51 0.14 -2.69 117.35 124.96 2a6o s TYR 7 Ca -0.04 -0.37 0.01 0.00 -1.01 0.00 0.00 57.07 55.66 2a6o s TYR 7 Cb -0.20 -2.61 0.02 0.00 -0.11 0.00 0.00 41.96 39.06 2a6o s TYR 7 CO -0.00 -1.16 -0.04 0.21 -1.11 0.00 0.00 175.55 173.45 2a6o s LYS 8 N -4.79 0.69 1.21 -0.62 2.20 0.08 -1.44 119.74 117.08 2a6o s LYS 8 Ca 0.61 -0.11 -0.15 0.00 -0.36 0.00 0.00 55.97 55.97 2a6o s LYS 8 Cb -0.07 -0.71 0.28 0.00 -1.51 0.00 0.00 37.83 35.82 2a6o s LYS 8 CO 0.40 -0.04 0.85 0.45 -0.36 0.00 0.00 175.35 176.64 2a6o n SER 9 N 3.80 -2.17 0.28 1.43 2.88 0.21 -4.62 113.62 115.43 2a6o n SER 9 Ca -0.23 -0.26 0.18 0.00 -1.33 0.00 0.00 58.87 57.23 2a6o n SER 9 Cb 0.52 -1.18 0.79 0.00 -0.75 0.00 0.00 64.21 63.59 2a6o n SER 9 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2a6o h ASN 10 N -2.75 0.00 0.00 -3.46 2.35 -1.95 -3.42 115.58 106.35 2a6o h ASN 10 Ca -0.61 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.14 2a6o h ASN 10 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2a6o h ASN 10 CO 0.46 0.00 0.00 1.41 -1.65 0.00 0.00 177.43 177.65 2a6o n HIS 11 N -2.99 0.00 -1.58 1.19 8.25 -1.26 -5.03 115.22 113.81 2a6o n HIS 11 Ca -0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2a6o n HIS 11 Cb 0.24 0.00 0.08 0.00 1.12 0.00 0.00 29.99 31.43 2a6o n HIS 11 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2a6o n ASN 12 N 0.00 5.86 -4.57 0.41 3.02 -1.26 -4.97 115.26 113.75 2a6o n ASN 12 Ca 0.00 -3.77 -0.39 0.00 -0.03 0.00 0.00 54.58 50.39 2a6o n ASN 12 Cb 0.00 -0.71 -0.10 0.00 -0.61 0.00 0.00 39.78 38.36 2a6o n ASN 12 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2a6o s VAL 13 N -4.46 5.24 -0.31 2.41 1.01 -1.26 -4.89 120.40 118.13 2a6o s VAL 13 Ca 0.57 0.18 -0.18 0.00 0.00 0.00 0.00 61.98 62.55 2a6o s VAL 13 Cb 0.46 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 33.15 2a6o s VAL 13 CO 0.02 0.10 0.54 -0.69 0.00 0.00 0.00 175.10 175.06 2a6o s VAL 14 N 1.90 5.02 0.19 2.92 1.01 -1.26 0.68 120.40 130.85 2a6o s VAL 14 Ca 0.10 0.66 -0.09 0.00 0.00 0.00 0.00 61.98 62.65 2a6o s VAL 14 Cb -0.16 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 2a6o s VAL 14 CO 0.11 -0.08 0.32 -0.72 0.00 0.00 0.00 175.10 174.73 2a6o s TYR 15 N 2.41 0.44 -0.28 5.22 -0.85 -0.52 -5.00 117.35 118.77 2a6o s TYR 15 Ca 0.21 -0.79 0.02 0.00 -0.52 0.00 0.00 57.07 55.99 2a6o s TYR 15 Cb -0.15 -0.03 0.16 0.00 0.38 0.00 0.00 41.96 42.32 2a6o s TYR 15 CO 0.11 -0.78 0.44 0.45 -1.52 0.00 0.00 175.55 174.26 2a6o s SER 16 N -2.99 -0.05 -0.51 -0.18 0.15 -1.26 0.24 113.70 109.09 2a6o s SER 16 Ca 0.20 -0.12 0.03 0.00 0.70 0.00 0.00 55.95 56.77 2a6o s SER 16 Cb 0.03 1.31 0.14 0.00 -1.71 0.00 0.00 66.02 65.79 2a6o s SER 16 CO 0.03 -0.33 0.29 0.00 1.20 0.00 0.00 173.24 174.43 2a6o s LYS 18 N -0.23 4.04 0.02 0.00 1.02 -1.26 -1.74 119.74 121.59 2a6o s LYS 18 Ca 0.19 0.27 0.05 0.00 0.02 0.00 0.00 55.97 56.50 2a6o s LYS 18 Cb -0.21 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.77 2a6o s LYS 18 CO -0.03 0.48 -0.15 0.71 -0.92 0.00 0.00 175.35 175.44 2a6o s TYR 19 N -0.34 1.33 -0.27 3.18 1.51 0.15 -1.81 117.35 121.09 2a6o s TYR 19 Ca 0.21 -0.31 -0.11 0.00 -1.01 0.00 0.00 57.07 55.85 2a6o s TYR 19 Cb -0.15 -0.82 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 2a6o s TYR 19 CO 0.09 0.02 0.18 -1.01 -1.11 0.00 0.00 175.55 173.72 2a6o s HIS 20 N -0.64 3.22 -0.05 2.71 3.76 -0.02 -0.49 115.29 123.79 2a6o s HIS 20 Ca 0.04 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 55.11 2a6o s HIS 20 Cb -0.07 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.25 2a6o s HIS 20 CO 0.01 -0.14 -0.24 0.42 -0.85 0.00 0.00 174.74 173.93 2a6o s ILE 21 N 1.65 1.99 -0.08 0.60 1.01 0.13 -1.94 121.20 124.55 2a6o s ILE 21 Ca 0.07 -1.04 -0.04 0.00 0.00 0.00 0.00 60.65 59.64 2a6o s ILE 21 Cb -0.16 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.68 2a6o s ILE 21 CO 0.10 0.56 0.17 -0.69 0.00 0.00 0.00 174.94 175.08 2a6o s VAL 22 N -0.26 -0.07 0.04 2.92 1.01 -0.47 -0.30 120.40 123.27 2a6o s VAL 22 Ca -0.00 0.19 -0.06 0.00 0.00 0.00 0.00 61.98 62.11 2a6o s VAL 22 Cb -0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.96 2a6o s VAL 22 CO 0.02 0.08 0.11 -1.66 0.00 0.00 0.00 175.10 173.65 2a6o s TRP 23 N 1.32 0.17 0.26 5.22 -2.14 -1.19 0.32 118.94 122.91 2a6o s TRP 23 Ca -0.08 -0.45 0.11 0.00 2.66 0.00 0.00 56.10 58.35 2a6o s TRP 23 Cb -0.11 -0.12 -0.05 0.00 -3.10 0.00 0.00 33.47 30.09 2a6o s TRP 23 CO -0.07 -0.37 -0.17 0.00 -2.66 0.00 0.00 176.95 173.68 2a6o s PRO 25 N -3.41 0.64 0.38 0.00 0.02 -1.25 -3.98 135.00 127.41 2a6o s PRO 25 Ca 0.29 0.64 -0.26 0.00 0.02 0.00 0.00 61.00 61.69 2a6o s PRO 25 Cb -0.06 -1.75 -0.11 0.00 0.02 0.00 0.00 34.50 32.60 2a6o s PRO 25 CO 0.15 -2.62 1.16 1.17 -0.33 0.00 0.00 177.00 176.53 2a6o n LYS 26 N -4.11 1.72 -1.13 5.54 3.00 -0.21 -0.07 118.16 122.90 2a6o n LYS 26 Ca 0.06 0.61 -0.08 0.00 -0.00 0.00 0.00 58.31 58.90 2a6o n LYS 26 Cb 0.56 -2.19 -0.03 0.00 0.00 0.00 0.00 35.03 33.37 2a6o n LYS 26 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2a6o n TYR 27 N -0.10 -0.07 -2.92 5.64 0.53 -1.26 -1.08 117.16 117.90 2a6o n TYR 27 Ca 0.07 0.00 -0.21 0.00 -1.02 0.00 0.00 57.90 56.75 2a6o n TYR 27 Cb 0.37 -2.33 0.01 0.00 -1.03 0.00 0.00 39.34 36.36 2a6o n TYR 27 CO 0.00 0.00 0.00 -2.13 -1.02 0.00 0.00 176.86 173.71 2a6o n ARG 28 N -0.44 -3.62 -1.90 -0.72 0.63 0.91 -4.89 116.66 106.62 2a6o n ARG 28 Ca -0.08 0.77 -0.39 0.00 -0.92 0.00 0.00 57.85 57.24 2a6o n ARG 28 Cb 0.49 -5.53 0.01 0.00 0.45 0.00 0.00 32.46 27.88 2a6o n ARG 28 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 2a6o s ARG 29 N -5.57 3.65 -1.35 -0.14 6.06 -0.24 -4.77 118.95 116.58 2a6o s ARG 29 Ca 0.23 2.26 -0.06 0.00 -2.50 0.00 0.00 55.73 55.66 2a6o s ARG 29 Cb -0.11 -2.58 0.10 0.00 0.06 0.00 0.00 34.95 32.42 2a6o s ARG 29 CO 0.29 -0.79 2.43 1.63 -2.50 0.00 0.00 175.30 176.36 2a6o n LYS 30 N -0.31 4.51 0.08 5.12 5.02 -1.26 -4.36 118.16 126.96 2a6o n LYS 30 Ca 0.06 -3.35 0.11 0.00 -2.02 0.00 0.00 58.31 53.11 2a6o n LYS 30 Cb 0.43 -2.65 -0.04 0.00 -0.02 0.00 0.00 35.03 32.75 2a6o n LYS 30 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2a6o n VAL 31 N 1.92 0.47 -1.38 -0.18 0.24 -1.19 -4.65 118.33 113.54 2a6o n VAL 31 Ca 0.64 -0.54 -0.42 0.00 -2.04 0.00 0.00 64.34 61.98 2a6o n VAL 31 Cb 0.25 -0.25 -0.04 0.00 -1.47 0.00 0.00 33.84 32.32 2a6o n VAL 31 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2a6o n LEU 32 N -2.57 4.56 -3.98 1.34 4.77 -0.53 -4.50 117.00 116.09 2a6o n LEU 32 Ca -0.01 -3.19 -0.10 0.00 -0.03 0.00 0.00 56.01 52.69 2a6o n LEU 32 Cb 0.55 -1.29 -0.07 0.00 -2.33 0.00 0.00 43.42 40.29 2a6o n LEU 32 CO 0.41 -0.19 -0.01 0.68 -1.33 0.00 0.00 177.39 176.95 2a6o s VAL 33 N 5.15 0.05 0.00 4.08 -7.23 -1.26 -2.74 120.40 118.45 2a6o s VAL 33 Ca 0.56 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2a6o s VAL 33 Cb 0.13 -1.93 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2a6o s VAL 33 CO 0.08 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 2a6o n GLY 34 N -0.24 2.11 0.28 2.32 0.00 -1.26 -2.11 105.19 106.28 2a6o n GLY 34 Ca -0.06 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.86 2a6o n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2a6o h ALA 35 N -0.10 0.62 -0.33 4.61 0.00 -2.00 -1.33 119.26 120.73 2a6o h ALA 35 Ca 0.00 0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 2a6o h ALA 35 Cb 0.00 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2a6o h ALA 35 CO 0.00 -0.42 0.19 0.28 0.00 0.00 0.00 179.25 179.30 2a6o h VAL 36 N 0.04 1.13 -0.43 0.00 2.07 -1.73 -2.19 116.25 115.13 2a6o h VAL 36 Ca 0.38 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.61 2a6o h VAL 36 Cb 0.63 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 2a6o h VAL 36 CO -0.72 0.13 0.24 -0.08 0.02 0.00 0.00 177.57 177.16 2a6o h GLU 37 N 0.42 0.48 0.18 1.57 4.81 -0.73 0.01 114.58 121.32 2a6o h GLU 37 Ca 0.12 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2a6o h GLU 37 Cb 0.03 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 2a6o h GLU 37 CO -0.02 0.32 -0.14 0.52 -0.73 0.00 0.00 179.01 178.96 2a6o h MET 38 N 0.49 -0.31 -0.70 1.92 2.86 -1.13 -2.11 114.93 115.96 2a6o h MET 38 Ca 0.18 0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.79 2a6o h MET 38 Cb 0.04 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 2a6o h MET 38 CO -0.09 -0.21 0.23 0.00 1.06 0.00 0.00 176.91 177.90 2a6o h ARG 39 N -0.32 1.06 -0.15 1.72 2.47 -1.28 -1.81 114.38 116.07 2a6o h ARG 39 Ca -0.01 -0.21 0.03 0.00 -1.26 0.00 0.00 59.98 58.54 2a6o h ARG 39 Cb 0.29 -0.16 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 2a6o h ARG 39 CO -0.01 0.89 -0.06 1.25 0.56 0.00 0.00 179.97 182.61 2a6o h LEU 40 N 1.03 -0.20 -1.07 3.04 5.85 -0.80 0.16 115.31 123.31 2a6o h LEU 40 Ca 0.23 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.98 2a6o h LEU 40 Cb 0.26 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2a6o h LEU 40 CO -0.01 -0.08 0.34 0.11 -0.34 0.00 0.00 178.44 178.46 2a6o h LYS 41 N -0.04 1.00 -0.21 1.25 1.57 -1.14 -0.68 116.57 118.31 2a6o h LYS 41 Ca 0.08 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2a6o h LYS 41 Cb 0.15 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2a6o h LYS 41 CO -0.17 0.77 0.01 0.93 -0.57 0.00 0.00 179.45 180.42 2a6o h GLU 42 N 0.99 0.37 -0.83 3.15 5.08 -0.58 -1.49 114.58 121.27 2a6o h GLU 42 Ca 0.24 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2a6o h GLU 42 Cb 0.10 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2a6o h GLU 42 CO -0.03 0.55 0.47 0.82 -1.00 0.00 0.00 179.01 179.81 2a6o h ILE 43 N 0.14 1.24 -0.45 3.13 2.04 -0.42 -1.51 117.51 121.68 2a6o h ILE 43 Ca 0.06 -0.57 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 2a6o h ILE 43 Cb 0.37 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2a6o h ILE 43 CO 0.01 0.26 0.09 0.40 0.00 0.00 0.00 178.15 178.90 2a6o h ILE 44 N 1.14 1.21 -0.42 -0.67 1.08 -1.00 -2.04 117.51 116.81 2a6o h ILE 44 Ca 0.29 -0.76 -0.02 0.00 -0.39 0.00 0.00 64.86 63.98 2a6o h ILE 44 Cb 0.00 0.77 -0.02 0.00 -3.07 0.00 0.00 36.82 34.51 2a6o h ILE 44 CO -0.05 0.28 0.19 1.56 -0.69 0.00 0.00 178.15 179.44 2a6o h GLN 45 N 0.66 0.61 -0.76 2.37 1.08 -0.30 -1.15 115.11 117.63 2a6o h GLN 45 Ca 0.15 -0.10 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 2a6o h GLN 45 Cb 0.29 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 2a6o h GLN 45 CO 0.00 0.54 0.28 0.93 -0.95 0.00 0.00 178.83 179.63 2a6o h GLU 46 N 0.54 1.14 -0.47 1.46 5.08 -1.01 -2.37 114.58 118.95 2a6o h GLU 46 Ca 0.14 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 2a6o h GLU 46 Cb 0.14 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2a6o h GLU 46 CO -0.02 0.95 0.19 0.28 -1.00 0.00 0.00 179.01 179.41 2a6o h VAL 47 N 1.10 1.20 -0.25 3.13 2.07 -1.04 -1.93 116.25 120.53 2a6o h VAL 47 Ca 0.25 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2a6o h VAL 47 Cb 0.25 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2a6o h VAL 47 CO -0.02 0.23 0.17 0.00 0.02 0.00 0.00 177.57 177.97 2a6o h ALA 48 N 1.04 0.32 -0.68 1.67 0.00 -0.94 0.26 119.26 120.92 2a6o h ALA 48 Ca 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2a6o h ALA 48 Cb 0.18 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 2a6o h ALA 48 CO -0.01 -0.20 0.37 -0.22 0.00 0.00 0.00 179.25 179.19 2a6o h LYS 49 N 0.34 0.96 -0.58 0.00 3.64 -1.39 1.36 116.57 120.90 2a6o h LYS 49 Ca 0.09 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 2a6o h LYS 49 Cb -0.03 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.58 2a6o h LYS 49 CO -0.02 0.73 0.02 1.49 -2.27 0.00 0.00 179.45 179.40 2a6o h GLU 50 N 0.94 1.02 -0.50 1.90 4.81 -0.99 -2.82 114.58 118.94 2a6o h GLU 50 Ca 0.24 -0.31 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2a6o h GLU 50 Cb 0.05 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2a6o h GLU 50 CO -0.04 0.99 0.00 1.28 -0.73 0.00 0.00 179.01 180.52 2a6o n LEU 51 N -4.24 2.67 -3.63 1.64 4.32 0.87 -4.93 117.00 113.70 2a6o n LEU 51 Ca 0.02 -1.34 -0.25 0.00 -0.02 0.00 0.00 56.01 54.43 2a6o n LEU 51 Cb 0.33 -0.34 0.08 0.00 -1.62 0.00 0.00 43.42 41.86 2a6o n LEU 51 CO 0.43 0.65 0.24 0.54 -1.22 0.00 0.00 177.39 178.03 2a6o n ARG 52 N 0.92 -7.77 -4.07 3.23 1.74 0.86 -4.96 116.66 106.61 2a6o n ARG 52 Ca 0.16 0.81 -0.35 0.00 -0.77 0.00 0.00 57.85 57.70 2a6o n ARG 52 Cb 0.43 -5.85 -0.09 0.00 -1.02 0.00 0.00 32.46 25.92 2a6o n ARG 52 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2a6o s VAL 53 N -3.32 4.79 -0.57 1.55 1.01 0.43 -4.65 120.40 119.64 2a6o s VAL 53 Ca 0.59 -0.05 -0.21 0.00 0.00 0.00 0.00 61.98 62.31 2a6o s VAL 53 Cb -0.26 -3.12 0.06 0.00 0.00 0.00 0.00 36.38 33.06 2a6o s VAL 53 CO 0.74 0.52 0.81 -0.70 0.00 0.00 0.00 175.10 176.47 2a6o s GLU 54 N -0.10 3.18 -0.67 2.72 2.56 -0.44 -4.24 118.70 121.71 2a6o s GLU 54 Ca 0.07 -0.73 -0.27 0.00 0.00 0.00 0.00 54.97 54.04 2a6o s GLU 54 Cb -0.12 -4.13 0.02 0.00 2.00 0.00 0.00 34.13 31.90 2a6o s GLU 54 CO 0.01 -1.48 1.35 0.42 -0.56 0.00 0.00 175.26 175.00 2a6o s ILE 55 N 3.39 3.74 -0.03 -3.70 1.01 -1.26 -0.60 121.20 123.75 2a6o s ILE 55 Ca 0.21 0.52 -0.24 0.00 0.00 0.00 0.00 60.65 61.13 2a6o s ILE 55 Cb -0.17 -4.70 -0.18 0.00 0.01 0.00 0.00 42.46 37.41 2a6o s ILE 55 CO 0.13 -1.56 1.13 0.40 0.00 0.00 0.00 174.94 175.05 2a6o h ILE 56 N 6.20 1.11 -3.98 2.92 2.04 -0.48 -3.47 117.51 121.85 2a6o h ILE 56 Ca -0.27 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.37 2a6o h ILE 56 Cb 1.07 1.76 -0.19 0.00 -0.74 0.00 0.00 36.82 38.72 2a6o h ILE 56 CO 1.24 0.25 -0.65 -1.61 0.00 0.00 0.00 178.15 177.38 2a6o s GLU 57 N -4.02 0.44 -0.30 2.37 2.02 -0.84 -4.99 118.70 113.37 2a6o s GLU 57 Ca -0.15 -0.76 -0.09 0.00 0.02 0.00 0.00 54.97 53.99 2a6o s GLU 57 Cb 0.01 0.16 0.16 0.00 0.10 0.00 0.00 34.13 34.56 2a6o s GLU 57 CO 0.59 -0.08 0.78 1.41 0.02 0.00 0.00 175.26 177.98 2a6o s MET 58 N -2.21 0.45 0.04 1.61 1.75 -1.26 0.16 119.30 119.84 2a6o s MET 58 Ca -0.09 0.98 -0.00 0.00 -1.25 0.00 0.00 55.69 55.32 2a6o s MET 58 Cb -0.04 0.57 -0.03 0.00 2.84 0.00 0.00 34.83 38.17 2a6o s MET 58 CO -0.03 -0.30 -0.03 1.14 -0.65 0.00 0.00 175.02 175.14 2a6o s GLN 59 N 2.79 0.47 0.20 4.11 1.03 -0.70 -5.01 119.66 122.54 2a6o s GLN 59 Ca 0.04 -0.91 0.11 0.00 0.04 0.00 0.00 55.36 54.64 2a6o s GLN 59 Cb -0.11 0.13 -0.04 0.00 0.03 0.00 0.00 33.01 33.02 2a6o s GLN 59 CO -0.18 -0.07 -0.20 0.95 -2.54 0.00 0.00 175.29 173.24 2a6o s THR 60 N -2.63 2.55 -0.41 3.63 -4.23 -1.26 -0.60 115.64 112.69 2a6o s THR 60 Ca -0.05 -1.99 0.08 0.00 -1.18 0.00 0.00 61.69 58.55 2a6o s THR 60 Cb -0.01 -2.24 0.25 0.00 1.34 0.00 0.00 72.50 71.84 2a6o s THR 60 CO -0.05 -0.14 0.61 -0.67 -0.54 0.00 0.00 174.62 173.82 2a6o n ASP 61 N 0.12 -0.41 0.00 3.99 2.03 -0.54 -5.00 116.55 116.74 2a6o n ASP 61 Ca -0.11 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.36 2a6o n ASP 61 Cb 0.56 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 2a6o n ASP 61 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2a6o n LYS 62 N 1.39 0.00 -0.60 -0.67 5.02 -1.11 -3.84 118.16 118.35 2a6o n LYS 62 Ca 0.19 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.56 2a6o n LYS 62 Cb 0.56 0.00 0.33 0.00 -0.02 0.00 0.00 35.03 35.90 2a6o n LYS 62 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2a6o n ASP 63 N 1.66 4.63 -3.65 4.39 3.85 -1.26 -1.46 116.55 124.72 2a6o n ASP 63 Ca 0.00 -2.62 -0.05 0.00 -0.71 0.00 0.00 54.79 51.41 2a6o n ASP 63 Cb 0.00 -0.56 -0.02 0.00 -1.35 0.00 0.00 41.12 39.19 2a6o n ASP 63 CO 0.00 0.00 0.00 -1.38 -1.01 0.00 0.00 177.20 174.81 2a6o s HIS 64 N -2.16 -0.20 -0.05 2.11 -3.43 -1.25 -3.81 115.29 106.50 2a6o s HIS 64 Ca 0.47 -0.02 0.03 0.00 -0.80 0.00 0.00 55.06 54.74 2a6o s HIS 64 Cb 0.33 0.59 0.01 0.00 -1.43 0.00 0.00 32.58 32.08 2a6o s HIS 64 CO 0.19 -0.65 -0.12 -1.50 -2.00 0.00 0.00 174.74 170.66 2a6o s ILE 65 N -3.11 1.06 -0.20 -5.38 2.07 -1.05 -1.47 121.20 113.11 2a6o s ILE 65 Ca 0.10 -0.47 -0.02 0.00 -1.41 0.00 0.00 60.65 58.84 2a6o s ILE 65 Cb -0.01 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.63 2a6o s ILE 65 CO -0.03 0.33 -0.10 -2.28 -1.91 0.00 0.00 174.94 170.95 2a6o s HIS 66 N 0.41 2.89 -0.06 3.50 5.65 0.23 -3.18 115.29 124.73 2a6o s HIS 66 Ca -0.09 -1.17 0.06 0.00 0.25 0.00 0.00 55.06 54.11 2a6o s HIS 66 Cb -0.13 -2.03 -0.01 0.00 -1.18 0.00 0.00 32.58 29.23 2a6o s HIS 66 CO 0.02 -0.63 -0.25 0.42 -0.65 0.00 0.00 174.74 173.66 2a6o s ILE 67 N 1.38 2.09 -0.31 0.89 1.01 0.59 -1.73 121.20 125.13 2a6o s ILE 67 Ca 0.05 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 2a6o s ILE 67 Cb -0.14 -1.75 0.05 0.00 0.01 0.00 0.00 42.46 40.63 2a6o s ILE 67 CO -0.06 0.57 0.02 -0.22 0.00 0.00 0.00 174.94 175.25 2a6o s LEU 68 N -0.20 4.05 0.14 2.97 2.96 0.12 0.17 118.68 128.89 2a6o s LEU 68 Ca -0.03 -1.33 0.07 0.00 -0.22 0.00 0.00 54.13 52.63 2a6o s LEU 68 Cb -0.13 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 2a6o s LEU 68 CO 0.03 -0.29 -0.17 0.00 -1.32 0.00 0.00 176.35 174.61 2a6o s ALA 69 N 1.25 1.79 -0.20 5.97 0.00 0.36 0.33 121.76 131.26 2a6o s ALA 69 Ca -0.04 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.48 2a6o s ALA 69 Cb -0.20 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.75 2a6o s ALA 69 CO -0.01 0.19 -0.00 0.34 0.00 0.00 0.00 175.76 176.28 2a6o s ASP 70 N -2.51 4.77 -0.05 0.00 2.15 0.23 0.30 116.67 121.57 2a6o s ASP 70 Ca 0.12 -0.22 0.02 0.00 0.43 0.00 0.00 52.55 52.90 2a6o s ASP 70 Cb -0.06 -1.82 0.02 0.00 -0.30 0.00 0.00 42.92 40.76 2a6o s ASP 70 CO 0.05 0.06 -0.08 -0.63 -0.17 0.00 0.00 175.17 174.40 2a6o s ILE 71 N 1.05 0.76 -0.16 4.11 1.01 -0.71 -1.32 121.20 125.93 2a6o s ILE 71 Ca 0.02 -0.28 -0.34 0.00 0.00 0.00 0.00 60.65 60.05 2a6o s ILE 71 Cb -0.14 -0.73 -0.11 0.00 0.01 0.00 0.00 42.46 41.49 2a6o s ILE 71 CO 0.01 0.27 1.97 -0.67 0.00 0.00 0.00 174.94 176.52 2a6o n ASP 72 N 3.80 3.16 -0.01 3.58 -0.08 -1.26 -4.56 116.55 121.18 2a6o n ASP 72 Ca -0.23 0.79 0.23 0.00 -1.51 0.00 0.00 54.79 54.07 2a6o n ASP 72 Cb 0.52 -1.36 0.72 0.00 2.34 0.00 0.00 41.12 43.34 2a6o n ASP 72 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2a6o h PRO 73 N 10.36 0.00 0.00 -0.67 0.13 -1.99 0.11 132.00 139.95 2a6o h PRO 73 Ca -0.44 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.61 2a6o h PRO 73 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2a6o h PRO 73 CO 0.96 0.00 -0.37 0.77 -0.23 0.00 0.00 178.00 179.13 2a6o h SER 74 N 0.00 0.00 0.16 1.44 0.02 -2.03 -3.32 113.55 109.82 2a6o h SER 74 Ca 0.29 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.23 2a6o h SER 74 Cb 1.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.91 2a6o h SER 74 CO -0.00 0.37 -0.08 0.15 -1.14 0.00 0.00 176.83 176.13 2a6o h PHE 75 N 0.00 -0.20 0.00 3.45 3.57 -1.13 -3.51 116.94 119.12 2a6o h PHE 75 Ca -0.00 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2a6o h PHE 75 Cb 0.98 0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.78 2a6o h PHE 75 CO 0.00 0.02 0.00 0.41 -2.23 0.00 0.00 178.31 176.51 2a6o n GLY 76 N 1.10 1.70 0.30 2.40 0.00 -1.16 -4.76 105.19 104.76 2a6o n GLY 76 Ca -0.04 -1.10 0.11 0.00 0.00 0.00 0.00 46.02 44.99 2a6o n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2a6o h VAL 77 N 0.00 0.35 0.00 1.61 2.07 -1.91 -0.01 116.25 118.36 2a6o h VAL 77 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2a6o h VAL 77 Cb 0.00 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 2a6o h VAL 77 CO 0.00 0.04 0.00 0.24 0.02 0.00 0.00 177.57 177.87 2a6o h MET 78 N 0.22 0.00 0.05 1.57 2.86 -1.99 -1.93 114.93 115.71 2a6o h MET 78 Ca 0.53 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.90 2a6o h MET 78 Cb 1.03 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.70 2a6o h MET 78 CO -0.63 0.00 -1.08 0.87 1.06 0.00 0.00 176.91 177.13 2a6o h LYS 79 N 0.00 0.53 -0.48 1.72 1.57 -1.29 -0.24 116.57 118.38 2a6o h LYS 79 Ca 0.00 -0.63 -0.11 0.00 -1.87 0.00 0.00 60.65 58.04 2a6o h LYS 79 Cb 0.22 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2a6o h LYS 79 CO 0.00 1.25 -0.12 0.35 -0.57 0.00 0.00 179.45 180.35 2a6o h PHE 80 N 0.27 1.05 0.02 -1.35 3.57 -1.41 -2.31 116.94 116.78 2a6o h PHE 80 Ca -0.13 -0.23 -0.00 0.00 3.53 0.00 0.00 57.97 61.14 2a6o h PHE 80 Cb 1.74 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.23 2a6o h PHE 80 CO 0.09 1.01 -0.01 0.82 -2.23 0.00 0.00 178.31 177.99 2a6o h ILE 81 N 0.78 1.26 -0.53 1.41 2.04 -1.39 0.86 117.51 121.95 2a6o h ILE 81 Ca 0.12 -0.87 0.10 0.00 1.00 0.00 0.00 64.86 65.21 2a6o h ILE 81 Cb 0.68 1.85 -0.11 0.00 -0.74 0.00 0.00 36.82 38.50 2a6o h ILE 81 CO 0.05 0.22 -0.32 0.50 0.00 0.00 0.00 178.15 178.60 2a6o h LYS 82 N -0.40 -0.18 0.03 2.37 3.11 -1.01 0.33 116.57 120.82 2a6o h LYS 82 Ca -0.00 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2a6o h LYS 82 Cb 0.39 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.66 2a6o h LYS 82 CO 0.00 -0.12 -0.02 1.15 -2.81 0.00 0.00 179.45 177.66 2a6o h THR 83 N -0.18 1.19 -0.59 1.00 2.02 -1.37 0.82 112.91 115.80 2a6o h THR 83 Ca 0.22 -0.72 0.05 0.00 0.77 0.00 0.00 66.41 66.73 2a6o h THR 83 Cb 0.54 1.67 -0.05 0.00 -1.74 0.00 0.00 68.15 68.57 2a6o h THR 83 CO -0.63 0.18 0.31 0.00 0.37 0.00 0.00 175.52 175.75 2a6o h ALA 84 N 0.59 0.77 -0.05 6.16 0.00 -0.23 -0.98 119.26 125.51 2a6o h ALA 84 Ca -0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2a6o h ALA 84 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2a6o h ALA 84 CO 0.01 -0.03 -0.15 0.87 0.00 0.00 0.00 179.25 179.94 2a6o h LYS 85 N 0.58 0.18 0.13 0.00 1.57 -0.36 -2.77 116.57 115.89 2a6o h LYS 85 Ca 0.26 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2a6o h LYS 85 Cb 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2a6o h LYS 85 CO -0.18 0.76 -0.23 0.78 -0.57 0.00 0.00 179.45 180.02 2a6o h GLY 86 N -0.36 -0.43 0.79 3.86 0.00 -0.65 -1.50 103.07 104.78 2a6o h GLY 86 Ca -0.01 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 2a6o h GLY 86 CO 0.03 -0.20 -0.29 -0.09 0.00 0.00 0.00 176.54 175.98 2a6o h ARG 87 N -0.43 -0.79 -1.03 4.80 2.43 -1.32 -2.38 114.38 115.66 2a6o h ARG 87 Ca 0.02 0.05 0.26 0.00 -0.81 0.00 0.00 59.98 59.51 2a6o h ARG 87 Cb 0.45 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.06 2a6o h ARG 87 CO -0.12 -0.48 0.63 0.66 -1.51 0.00 0.00 179.97 179.16 2a6o h SER 88 N -1.05 0.56 -0.32 -3.80 4.64 -1.51 0.28 113.55 112.36 2a6o h SER 88 Ca -0.08 0.12 -0.03 0.00 -0.47 0.00 0.00 61.79 61.32 2a6o h SER 88 Cb 0.68 0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.79 2a6o h SER 88 CO 0.14 0.08 0.08 -1.28 -0.87 0.00 0.00 176.83 174.98 2a6o h SER 89 N 0.48 0.48 -0.18 4.97 0.87 -1.18 0.84 113.55 119.83 2a6o h SER 89 Ca 0.63 -0.22 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 2a6o h SER 89 Cb 1.40 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.22 2a6o h SER 89 CO -0.41 0.58 0.01 -0.09 -0.53 0.00 0.00 176.83 176.39 2a6o h ARG 90 N 0.36 0.31 0.76 2.24 1.12 -0.03 -1.73 114.38 117.41 2a6o h ARG 90 Ca 0.10 -0.09 -0.04 0.00 -1.11 0.00 0.00 59.98 58.84 2a6o h ARG 90 Cb 0.28 -0.03 0.01 0.00 -0.01 0.00 0.00 29.97 30.22 2a6o h ARG 90 CO -0.00 0.51 -0.36 0.82 -3.11 0.00 0.00 179.97 177.82 2a6o h ILE 91 N 0.08 0.04 -0.97 1.20 2.04 -0.82 -2.20 117.51 116.89 2a6o h ILE 91 Ca 0.05 -0.24 0.14 0.00 1.00 0.00 0.00 64.86 65.82 2a6o h ILE 91 Cb 0.36 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 36.41 2a6o h ILE 91 CO 0.01 0.01 0.61 -0.07 0.00 0.00 0.00 178.15 178.70 2a6o h LEU 92 N -1.25 0.81 -1.23 1.44 3.38 -0.90 0.43 115.31 118.00 2a6o h LEU 92 Ca -0.10 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2a6o h LEU 92 Cb 0.79 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2a6o h LEU 92 CO 0.17 0.40 -0.26 0.03 0.09 0.00 0.00 178.44 178.87 2a6o h ARG 93 N 0.86 0.00 0.23 1.13 3.08 -1.32 0.20 114.38 118.56 2a6o h ARG 93 Ca 0.50 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 60.23 2a6o h ARG 93 Cb 0.64 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.73 2a6o h ARG 93 CO -0.26 0.26 -1.36 1.96 -1.07 0.00 0.00 179.97 179.50 2a6o h GLN 94 N 0.00 0.52 -0.06 0.04 4.20 -0.04 -3.37 115.11 116.41 2a6o h GLN 94 Ca -0.00 -0.86 -0.25 0.00 0.06 0.00 0.00 58.65 57.60 2a6o h GLN 94 Cb 0.71 0.32 0.02 0.00 0.30 0.00 0.00 27.48 28.82 2a6o h GLN 94 CO 0.03 1.41 -0.94 0.93 -0.67 0.00 0.00 178.83 179.59 2a6o h GLU 95 N 0.09 0.72 -4.64 1.46 5.08 0.04 -3.42 114.58 113.91 2a6o h GLU 95 Ca -0.23 -0.70 -0.65 0.00 -1.00 0.00 0.00 59.36 56.78 2a6o h GLU 95 Cb 2.07 0.18 -0.38 0.00 0.50 0.00 0.00 28.75 31.12 2a6o h GLU 95 CO 0.26 1.29 -0.78 -0.06 -1.00 0.00 0.00 179.01 178.72 2a6o s PHE 96 N -3.47 3.10 0.57 4.33 0.40 0.67 -5.02 117.98 118.56 2a6o s PHE 96 Ca -0.10 -2.32 0.26 0.00 -0.60 0.00 0.00 56.93 54.18 2a6o s PHE 96 Cb 0.08 -2.07 1.68 0.00 0.51 0.00 0.00 43.02 43.22 2a6o s PHE 96 CO 0.91 -0.87 2.23 -0.91 0.70 0.00 0.00 175.22 177.28 2a6o h ASN 97 N 7.79 0.00 0.63 1.36 4.21 -1.82 -2.26 115.58 125.49 2a6o h ASN 97 Ca -0.15 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.36 2a6o h ASN 97 Cb 1.04 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.24 2a6o h ASN 97 CO 0.46 0.00 0.00 1.12 -1.29 0.00 0.00 177.43 177.72 2a6o h HIS 98 N 0.00 0.00 0.00 1.19 2.07 -1.94 0.11 115.15 116.57 2a6o h HIS 98 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2a6o h HIS 98 Cb 0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.00 2a6o h HIS 98 CO 0.00 0.00 -0.09 -0.07 -3.07 0.00 0.00 177.93 174.70 2a6o h LEU 99 N 0.00 0.00 0.01 6.12 3.38 -1.73 -2.68 115.31 120.41 2a6o h LEU 99 Ca 0.00 -0.02 -0.41 0.00 0.09 0.00 0.00 57.88 57.55 2a6o h LEU 99 Cb 0.31 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 2a6o h LEU 99 CO 0.00 0.01 -2.41 1.17 0.09 0.00 0.00 178.44 177.30 2a6o n LYS 100 N -2.58 0.64 0.14 1.13 4.81 -0.03 -3.91 118.16 118.35 2a6o n LYS 100 Ca 0.05 0.21 0.01 0.00 -0.87 0.00 0.00 58.31 57.71 2a6o n LYS 100 Cb 0.47 -1.54 0.10 0.00 0.02 0.00 0.00 35.03 34.09 2a6o n LYS 100 CO 0.00 0.00 0.00 1.79 1.17 0.00 0.00 177.40 180.36 2a6o h THR 101 N -0.35 1.10 0.00 3.15 1.35 -1.01 -3.33 112.91 113.82 2a6o h THR 101 Ca -0.60 -2.26 0.00 0.00 -0.55 0.00 0.00 66.41 63.01 2a6o h THR 101 Cb 1.80 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 70.56 2a6o h THR 101 CO -0.19 0.57 -1.58 0.29 -0.25 0.00 0.00 175.52 174.37 2a6o n LYS 102 N -3.39 0.44 -4.58 4.72 5.02 -1.01 -4.96 118.16 114.40 2a6o n LYS 102 Ca 0.01 -0.11 -0.24 0.00 -2.02 0.00 0.00 58.31 55.95 2a6o n LYS 102 Cb 0.70 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 2a6o n LYS 102 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2a6o s LEU 103 N -4.07 2.15 0.36 -0.35 1.43 -1.25 -5.02 118.68 111.92 2a6o s LEU 103 Ca -0.02 -0.47 0.14 0.00 -1.03 0.00 0.00 54.13 52.75 2a6o s LEU 103 Cb 0.14 -0.84 0.69 0.00 0.03 0.00 0.00 46.19 46.21 2a6o s LEU 103 CO 0.88 0.13 1.79 1.55 0.23 0.00 0.00 176.35 180.94 2a6o h PRO 104 N 5.02 0.00 -3.85 1.29 0.13 -1.87 -3.42 132.00 129.30 2a6o h PRO 104 Ca -0.40 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.62 2a6o h PRO 104 Cb 1.16 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.20 2a6o h PRO 104 CO 0.45 0.40 -0.20 0.95 -0.23 0.00 0.00 178.00 179.37 2a6o s THR 105 N -4.04 0.00 -0.09 1.56 -4.23 -1.26 -5.08 115.64 102.50 2a6o s THR 105 Ca -0.02 -1.52 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 2a6o s THR 105 Cb 0.14 -2.32 -0.28 0.00 1.34 0.00 0.00 72.50 71.38 2a6o s THR 105 CO 0.72 0.00 0.56 0.25 -0.54 0.00 0.00 174.62 175.61 2a6o h LEU 106 N 2.29 0.43 0.00 4.79 6.46 -1.88 -3.42 115.31 123.98 2a6o h LEU 106 Ca -0.28 -0.87 -0.22 0.00 -0.12 0.00 0.00 57.88 56.39 2a6o h LEU 106 Cb 1.25 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 2a6o h LEU 106 CO 0.39 1.67 -0.11 0.79 -0.62 0.00 0.00 178.44 180.56 2a6o n TRP 107 N -3.83 -0.99 -4.29 1.25 5.03 -1.26 -1.04 117.44 112.31 2a6o n TRP 107 Ca -0.26 -0.86 -0.20 0.00 3.03 0.00 0.00 57.50 59.21 2a6o n TRP 107 Cb 0.95 -0.16 -0.03 0.00 -1.03 0.00 0.00 31.31 31.03 2a6o n TRP 107 CO 0.00 0.00 0.00 0.25 -0.03 0.00 0.00 177.69 177.91 2a6o n THR 108 N -0.92 0.00 0.26 -0.99 -2.24 -1.26 -4.33 114.28 104.81 2a6o n THR 108 Ca -0.02 -1.48 0.07 0.00 -2.27 0.00 0.00 64.05 60.36 2a6o n THR 108 Cb 0.23 0.18 0.23 0.00 -2.10 0.00 0.00 70.33 68.87 2a6o n THR 108 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2a6o n ASN 109 N -1.37 3.02 -4.87 3.42 2.04 -1.26 -4.91 115.26 111.33 2a6o n ASN 109 Ca -0.10 -2.17 -0.21 0.00 -0.44 0.00 0.00 54.58 51.66 2a6o n ASN 109 Cb 0.40 -0.41 -0.03 0.00 -2.53 0.00 0.00 39.78 37.21 2a6o n ASN 109 CO 0.00 0.00 0.00 -0.55 -0.44 0.00 0.00 177.26 176.27 2a6o s SER 110 N -0.87 5.10 0.00 0.53 0.15 -1.26 -5.12 113.70 112.23 2a6o s SER 110 Ca 0.33 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.29 2a6o s SER 110 Cb 0.20 -0.66 0.00 0.00 -1.71 0.00 0.00 66.02 63.85 2a6o s SER 110 CO 0.19 -0.58 0.00 0.00 1.20 0.00 0.00 173.24 174.05 2a6o s PHE 112 N -2.00 2.74 -0.02 0.00 5.36 0.15 -4.98 117.98 119.22 2a6o s PHE 112 Ca 0.00 -0.22 -0.00 0.00 -0.96 0.00 0.00 56.93 55.75 2a6o s PHE 112 Cb 0.00 -1.67 0.03 0.00 -0.34 0.00 0.00 43.02 41.04 2a6o s PHE 112 CO 0.00 0.13 0.03 0.42 -1.46 0.00 0.00 175.22 174.34 2a6o s ILE 113 N -0.56 -0.01 -0.04 3.12 1.01 -1.26 -1.37 121.20 122.09 2a6o s ILE 113 Ca 0.08 0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 2a6o s ILE 113 Cb -0.11 -0.13 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2a6o s ILE 113 CO 0.01 0.11 0.09 -0.94 0.00 0.00 0.00 174.94 174.21 2a6o s SER 114 N 1.17 -0.06 0.24 3.58 1.04 -0.82 -4.98 113.70 113.86 2a6o s SER 114 Ca -0.08 0.18 -0.30 0.00 0.48 0.00 0.00 55.95 56.23 2a6o s SER 114 Cb -0.13 0.12 -0.09 0.00 0.10 0.00 0.00 66.02 66.02 2a6o s SER 114 CO -0.03 -0.09 0.99 0.42 0.98 0.00 0.00 173.24 175.52 2a6o s THR 115 N 0.60 3.94 -0.07 2.02 -4.23 -1.26 -0.84 115.64 115.79 2a6o s THR 115 Ca -0.05 1.90 0.03 0.00 -1.18 0.00 0.00 61.69 62.39 2a6o s THR 115 Cb -0.06 -4.21 0.01 0.00 1.34 0.00 0.00 72.50 69.57 2a6o s THR 115 CO -0.02 0.43 -0.15 0.54 -0.54 0.00 0.00 174.62 174.87 2a6o s VAL 116 N -1.02 1.38 0.00 2.29 0.11 -0.75 -4.93 120.40 117.48 2a6o s VAL 116 Ca 0.43 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.85 2a6o s VAL 116 Cb -0.28 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.34 2a6o s VAL 116 CO 0.34 0.41 0.00 0.61 -3.33 0.00 0.00 175.10 173.13 2a6o n GLY 117 N 3.69 2.85 3.83 6.54 0.00 -1.26 -4.24 105.19 116.60 2a6o n GLY 117 Ca -0.22 -0.57 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 2a6o n GLY 117 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2a6o s GLY 118 N 0.00 1.76 -0.41 -0.02 0.00 -1.26 -5.01 107.32 102.38 2a6o s GLY 118 Ca 0.00 -1.65 -0.39 0.00 0.00 0.00 0.00 44.72 42.68 2a6o s GLY 118 CO 0.00 -1.59 1.34 0.00 0.00 0.00 0.00 173.10 172.85 2a6o n ALA 119 N -1.32 -1.04 -0.05 3.20 0.00 -1.26 -4.84 120.51 115.20 2a6o n ALA 119 Ca -0.03 0.40 -0.12 0.00 0.00 0.00 0.00 53.44 53.69 2a6o n ALA 119 Cb 0.60 -1.59 -0.07 0.00 0.00 0.00 0.00 19.45 18.39 2a6o n ALA 119 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2a6o h PRO 120 N 4.32 0.27 0.00 0.00 0.13 -2.01 -3.45 132.00 131.26 2a6o h PRO 120 Ca -0.35 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2a6o h PRO 120 Cb 1.13 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2a6o h PRO 120 CO 0.81 0.60 0.00 1.28 -0.23 0.00 0.00 178.00 180.47 2a6o n LEU 121 N -4.68 0.00 0.01 1.56 4.77 -1.26 -2.07 117.00 115.33 2a6o n LEU 121 Ca -0.06 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.77 2a6o n LEU 121 Cb 0.28 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 2a6o n LEU 121 CO 0.37 0.00 0.28 -1.13 -1.33 0.00 0.00 177.39 175.58 2a6o h ASN 122 N 0.00 0.78 -0.71 -1.43 -0.00 -2.00 -2.85 115.58 109.37 2a6o h ASN 122 Ca 0.00 -0.52 0.01 0.00 -0.00 0.00 0.00 56.30 55.78 2a6o h ASN 122 Cb 0.00 -0.23 -0.04 0.00 -0.00 0.00 0.00 38.32 38.05 2a6o h ASN 122 CO 0.00 1.31 0.47 0.58 -0.00 0.00 0.00 177.43 179.79 2a6o h VAL 123 N 0.43 1.18 -0.26 2.57 2.07 -1.79 -0.77 116.25 119.68 2a6o h VAL 123 Ca -0.05 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 2a6o h VAL 123 Cb 1.41 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2a6o h VAL 123 CO 0.15 0.18 -0.34 0.58 0.02 0.00 0.00 177.57 178.16 2a6o h VAL 124 N 0.96 1.29 -0.44 2.57 2.07 -1.75 -2.13 116.25 118.82 2a6o h VAL 124 Ca 0.26 -1.46 -0.10 0.00 0.82 0.00 0.00 66.70 66.22 2a6o h VAL 124 Cb -0.11 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2a6o h VAL 124 CO -0.06 0.46 -0.12 0.50 0.02 0.00 0.00 177.57 178.38 2a6o h LYS 125 N 0.47 0.85 -0.08 1.57 3.64 -1.07 -2.61 116.57 119.34 2a6o h LYS 125 Ca 0.05 -0.33 -0.08 0.00 -1.27 0.00 0.00 60.65 59.02 2a6o h LYS 125 Cb 0.82 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 2a6o h LYS 125 CO 0.07 0.97 -0.31 1.96 -2.27 0.00 0.00 179.45 179.86 2a6o h GLN 126 N 0.68 0.15 -0.24 1.90 4.20 -1.06 -1.63 115.11 119.11 2a6o h GLN 126 Ca 0.11 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 2a6o h GLN 126 Cb 0.66 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 2a6o h GLN 126 CO 0.05 0.46 -0.01 -0.92 -0.67 0.00 0.00 178.83 177.74 2a6o h TYR 127 N 0.14 0.47 0.10 2.96 3.20 -1.17 -2.50 116.97 120.17 2a6o h TYR 127 Ca 0.02 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.80 2a6o h TYR 127 Cb 0.63 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.78 2a6o h TYR 127 CO 0.01 0.60 -0.05 0.82 -1.64 0.00 0.00 178.16 177.90 2a6o h ILE 128 N 0.20 1.07 -0.91 1.81 2.04 -1.34 -3.12 117.51 117.27 2a6o h ILE 128 Ca 0.07 -0.70 0.21 0.00 1.00 0.00 0.00 64.86 65.44 2a6o h ILE 128 Cb 0.42 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.95 2a6o h ILE 128 CO 0.01 0.17 0.60 -0.08 0.00 0.00 0.00 178.15 178.86 2a6o h GLU 129 N -0.46 0.39 -0.24 2.37 4.57 -1.33 -1.86 114.58 118.02 2a6o h GLU 129 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2a6o h GLU 129 Cb 0.38 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 2a6o h GLU 129 CO 0.02 0.26 0.00 0.09 -1.18 0.00 0.00 179.01 178.20 2a6o n ASN 130 N -4.51 2.21 -4.81 1.04 3.02 -0.94 -4.89 115.26 106.38 2a6o n ASN 130 Ca 0.20 -1.81 -0.33 0.00 -0.03 0.00 0.00 54.58 52.61 2a6o n ASN 130 Cb 0.71 -0.15 0.00 0.00 -0.61 0.00 0.00 39.78 39.74 2a6o n ASN 130 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2a6o s GLN 131 N -1.69 3.41 0.37 3.52 -1.52 -0.70 -4.06 119.66 118.98 2a6o s GLN 131 Ca 0.34 1.19 -0.25 0.00 -1.95 0.00 0.00 55.36 54.69 2a6o s GLN 131 Cb 0.19 -2.05 -0.09 0.00 -0.22 0.00 0.00 33.01 30.84 2a6o s GLN 131 CO 0.27 -0.74 1.03 -0.65 -0.25 0.00 0.00 175.29 174.95 2a6o s GLN 132 N -4.03 4.31 -0.06 2.91 -0.21 -1.26 -4.94 119.66 116.38 2a6o s GLN 132 Ca 0.63 1.48 0.12 0.00 0.02 0.00 0.00 55.36 57.61 2a6o s GLN 132 Cb -0.15 -2.64 0.34 0.00 1.00 0.00 0.00 33.01 31.55 2a6o s GLN 132 CO 0.35 -0.01 1.27 0.27 -2.12 0.00 0.00 175.29 175.06 2a6o n ASN 133 N 0.16 3.07 0.00 5.90 2.04 -1.26 -5.02 115.26 120.15 2a6o n ASN 133 Ca 0.04 -2.34 0.00 0.00 -0.44 0.00 0.00 54.58 51.84 2a6o n ASN 133 Cb 0.49 -0.30 0.00 0.00 -2.53 0.00 0.00 39.78 37.44 2a6o n ASN 133 CO 0.00 0.00 0.00 -1.54 -0.44 0.00 0.00 177.26 175.28 2a6o n SER 134 N 0.03 0.00 -1.14 0.53 3.41 -1.26 -5.02 113.62 110.17 2a6o n SER 134 Ca 0.13 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.86 2a6o n SER 134 Cb 0.55 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.71 2a6o n SER 134 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2a6o n ASN 135 N 0.08 3.45 -4.65 4.04 3.02 -1.26 -4.71 115.26 115.23 2a6o n ASN 135 Ca 0.00 -1.99 -0.35 0.00 -0.03 0.00 0.00 54.58 52.21 2a6o n ASN 135 Cb 0.00 -0.24 0.09 0.00 -0.61 0.00 0.00 39.78 39.02 2a6o n ASN 135 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2a6o n ARG 136 N 1.48 0.52 -0.05 3.52 1.74 -1.26 -4.76 116.66 117.86 2a6o n ARG 136 Ca 0.19 0.24 -0.13 0.00 -0.77 0.00 0.00 57.85 57.38 2a6o n ARG 136 Cb 0.61 -2.32 -0.07 0.00 -1.02 0.00 0.00 32.46 29.65 2a6o n ARG 136 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2a6o h PRO 137 N -0.29 -0.45 -0.66 5.56 0.11 -2.00 -2.48 132.00 131.79 2a6o h PRO 137 Ca -0.48 0.03 0.13 0.00 0.11 0.00 0.00 66.00 65.80 2a6o h PRO 137 Cb 1.33 0.10 -0.12 0.00 0.11 0.00 0.00 31.00 32.41 2a6o h PRO 137 CO 0.48 -0.30 -0.16 0.87 -0.21 0.00 0.00 178.00 178.68 2a6o h LYS 138 N -0.47 0.00 -0.37 1.05 1.57 -1.99 -0.51 116.57 115.85 2a6o h LYS 138 Ca 0.08 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2a6o h LYS 138 Cb 0.63 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.91 2a6o h LYS 138 CO -0.48 0.00 0.20 1.96 -0.57 0.00 0.00 179.45 180.56 2a6o h GLN 139 N 0.00 0.39 -0.37 3.15 1.08 -1.79 0.17 115.11 117.75 2a6o h GLN 139 Ca 0.32 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.49 2a6o h GLN 139 Cb 0.49 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 2a6o h GLN 139 CO -0.67 0.26 0.19 0.87 -0.95 0.00 0.00 178.83 178.53 2a6o h LYS 140 N 0.40 0.50 -0.26 1.46 1.57 -0.87 -1.04 116.57 118.34 2a6o h LYS 140 Ca 0.15 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 2a6o h LYS 140 Cb 0.04 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 2a6o h LYS 140 CO -0.09 0.38 -0.56 0.93 -0.57 0.00 0.00 179.45 179.53 2a6o h GLU 141 N 0.51 0.79 -0.29 3.15 5.08 -0.09 -0.66 114.58 123.07 2a6o h GLU 141 Ca 0.13 -0.51 -0.01 0.00 -1.00 0.00 0.00 59.36 57.98 2a6o h GLU 141 Cb 0.03 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2a6o h GLU 141 CO -0.02 1.14 0.15 -0.22 -1.00 0.00 0.00 179.01 179.06 2a6o h LYS 142 N 0.60 0.40 -0.17 2.33 3.64 0.16 -1.55 116.57 121.98 2a6o h LYS 142 Ca 0.01 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.31 2a6o h LYS 142 Cb 1.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2a6o h LYS 142 CO 0.12 0.36 -0.02 2.35 -2.27 0.00 0.00 179.45 179.98 2a6o h TRP 143 N 0.35 0.36 0.04 1.91 2.91 -1.19 -2.20 115.95 118.13 2a6o h TRP 143 Ca 0.10 -0.07 0.02 0.00 1.13 0.00 0.00 58.89 60.08 2a6o h TRP 143 Cb 0.07 -0.09 -0.04 0.00 -0.51 0.00 0.00 29.16 28.60 2a6o h TRP 143 CO -0.03 0.56 -0.23 -0.22 -1.03 0.00 0.00 178.44 177.49 2a6o h LYS 144 N 0.05 -0.37 -1.00 2.65 3.64 -1.05 -1.21 116.57 119.28 2a6o h LYS 144 Ca 0.05 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 2a6o h LYS 144 Cb 0.44 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.24 2a6o h LYS 144 CO 0.01 -0.25 0.61 1.03 -2.27 0.00 0.00 179.45 178.59 2a6o h SER 145 N -0.38 0.83 0.61 4.20 0.87 -1.26 0.24 113.55 118.66 2a6o h SER 145 Ca 0.05 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 2a6o h SER 145 Cb 0.44 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.33 2a6o h SER 145 CO -0.18 0.36 -0.29 0.22 -0.53 0.00 0.00 176.83 176.41 2a6o h TYR 146 N 0.85 -0.75 -0.67 2.24 3.20 -0.65 -2.81 116.97 118.38 2a6o h TYR 146 Ca 0.54 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 62.33 2a6o h TYR 146 Cb 0.72 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 39.22 2a6o h TYR 146 CO -0.01 -0.47 0.16 -0.39 -1.64 0.00 0.00 178.16 175.82 2a6o h VAL 147 N -1.01 1.26 -0.24 1.81 -1.51 -1.10 -2.18 116.25 113.28 2a6o h VAL 147 Ca -0.08 -0.95 0.07 0.00 -1.23 0.00 0.00 66.70 64.51 2a6o h VAL 147 Cb 0.62 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.36 2a6o h VAL 147 CO 0.14 0.36 0.21 0.44 -1.23 0.00 0.00 177.57 177.49 2a6o h ASP 148 N 1.00 0.00 -0.39 4.19 3.45 -0.61 0.13 116.42 124.18 2a6o h ASP 148 Ca 0.21 0.00 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 2a6o h ASP 148 Cb 0.36 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.07 2a6o h ASP 148 CO 0.00 0.00 0.14 -3.20 -1.57 0.00 0.00 179.24 174.61 2a6o n ASN 149 N -4.08 3.47 -4.66 6.45 5.15 -0.82 -4.89 115.26 115.90 2a6o n ASN 149 Ca 0.03 -2.64 -0.25 0.00 -0.60 0.00 0.00 54.58 51.12 2a6o n ASN 149 Cb 0.36 -0.63 -0.07 0.00 -0.53 0.00 0.00 39.78 38.90 2a6o n ASN 149 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2a6o s LEU 150 N -1.58 3.26 0.64 1.20 1.02 0.03 -5.06 118.68 118.20 2a6o s LEU 150 Ca 0.29 -0.51 -0.11 0.00 0.02 0.00 0.00 54.13 53.83 2a6o s LEU 150 Cb 0.23 -1.86 -0.02 0.00 0.02 0.00 0.00 46.19 44.56 2a6o s LEU 150 CO 0.07 0.05 1.04 -1.10 0.02 0.00 0.00 176.35 176.43 2a6o s GLN 151 N -3.27 3.39 0.34 1.70 -1.52 -1.09 -4.85 119.66 114.34 2a6o s GLN 151 Ca 0.29 0.80 0.07 0.00 -1.95 0.00 0.00 55.36 54.57 2a6o s GLN 151 Cb -0.08 -2.05 -0.03 0.00 -0.22 0.00 0.00 33.01 30.63 2a6o s GLN 151 CO 0.19 -0.74 0.30 0.95 -0.25 0.00 0.00 175.29 175.75 2a6o s THR 152 N -3.14 0.00 -0.34 -0.19 -4.23 -1.26 -0.74 115.64 105.74 2a6o s THR 152 Ca 0.56 -1.97 -0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2a6o s THR 152 Cb -0.12 -2.52 0.12 0.00 1.34 0.00 0.00 72.50 71.32 2a6o s THR 152 CO 0.54 0.00 0.16 -0.54 -0.54 0.00 0.00 174.62 174.24 2a6o s LYS 153 N -3.38 0.65 0.00 3.99 1.02 -1.26 -4.85 119.74 115.91 2a6o s LYS 153 Ca 0.40 -1.16 0.00 0.00 0.02 0.00 0.00 55.97 55.23 2a6o s LYS 153 Cb 0.02 -1.69 0.00 0.00 -0.52 0.00 0.00 37.83 35.64 2a6o s LYS 153 CO 0.28 -1.08 0.00 0.00 -0.92 0.00 0.00 175.35 173.63 2a6o n ALA 154 N 4.54 0.00 -0.06 5.17 0.00 -1.26 -5.02 120.51 123.87 2a6o n ALA 154 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2a6o n ALA 154 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2a6o n ALA 154 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78