#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3do9 s PRO 4 N 0.00 1.70 -0.12 -0.78 0.04 -1.26 -5.12 135.00 129.47 3do9 s PRO 4 Ca 0.00 -1.00 -0.03 0.00 0.04 0.00 0.00 61.00 60.01 3do9 s PRO 4 Cb 0.00 -2.30 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 3do9 s PRO 4 CO 0.00 -1.45 -0.01 0.08 0.04 0.00 0.00 177.00 175.67 3do9 s VAL 5 N -3.17 4.20 0.50 -0.36 1.01 -1.26 -5.12 120.40 116.21 3do9 s VAL 5 Ca 0.66 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 62.39 3do9 s VAL 5 Cb -0.06 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.55 3do9 s VAL 5 CO 0.44 0.56 0.71 -0.94 0.00 0.00 0.00 175.10 175.87 3do9 s SER 6 N -0.38 5.45 0.01 3.32 1.04 -1.26 -5.05 113.70 116.83 3do9 s SER 6 Ca 0.07 -0.08 -0.21 0.00 0.48 0.00 0.00 55.95 56.21 3do9 s SER 6 Cb -0.12 -0.91 -0.18 0.00 0.10 0.00 0.00 66.02 64.90 3do9 s SER 6 CO 0.02 -0.98 1.22 0.58 0.98 0.00 0.00 173.24 175.06 3do9 h VAL 7 N 0.27 1.41 -0.24 5.02 2.07 -1.99 -3.02 116.25 119.76 3do9 h VAL 7 Ca -0.42 -1.63 -0.05 0.00 0.82 0.00 0.00 66.70 65.42 3do9 h VAL 7 Cb 1.29 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 3do9 h VAL 7 CO 0.51 0.47 -0.06 0.78 0.02 0.00 0.00 177.57 179.29 3do9 h ASN 8 N -0.13 0.35 -0.36 0.57 2.35 -1.96 -0.69 115.58 115.71 3do9 h ASN 8 Ca -0.01 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.62 3do9 h ASN 8 Cb 0.90 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.16 3do9 h ASN 8 CO 0.06 0.46 0.03 -0.08 -1.65 0.00 0.00 177.43 176.24 3do9 h GLU 9 N 0.36 0.70 -0.03 0.81 4.81 -1.98 -1.43 114.58 117.83 3do9 h GLU 9 Ca 0.08 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 3do9 h GLU 9 Cb 0.33 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.63 3do9 h GLU 9 CO 0.01 0.70 -0.47 0.87 -0.73 0.00 0.00 179.01 179.40 3do9 h LYS 10 N 0.67 0.36 -0.46 1.92 1.57 -1.26 -2.87 116.57 116.50 3do9 h LYS 10 Ca 0.14 -0.35 0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3do9 h LYS 10 Cb 0.37 0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3do9 h LYS 10 CO 0.01 1.02 0.25 0.87 -0.57 0.00 0.00 179.45 181.03 3do9 h LYS 11 N -0.16 0.48 0.00 3.15 1.57 -1.07 -2.04 116.57 118.49 3do9 h LYS 11 Ca -0.05 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 3do9 h LYS 11 Cb 1.17 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.35 3do9 h LYS 11 CO 0.09 0.32 -0.54 0.22 -0.57 0.00 0.00 179.45 178.97 3do9 h ASP 12 N 0.50 0.00 -0.56 0.86 -0.00 -1.38 -2.35 116.42 113.48 3do9 h ASP 12 Ca 0.19 0.00 -0.11 0.00 -0.00 0.00 0.00 57.03 57.11 3do9 h ASP 12 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 39.33 39.38 3do9 h ASP 12 CO -0.12 0.54 -0.08 0.15 -0.00 0.00 0.00 179.24 179.74 3do9 h PHE 13 N 0.00 1.17 -0.18 0.28 3.57 -1.23 -2.50 116.94 118.04 3do9 h PHE 13 Ca -0.01 -0.23 -0.12 0.00 3.53 0.00 0.00 57.97 61.14 3do9 h PHE 13 Cb 0.98 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3do9 h PHE 13 CO 0.00 1.06 -0.40 0.28 -2.23 0.00 0.00 178.31 177.02 3do9 h VAL 14 N 0.94 1.30 0.50 1.41 2.07 -1.22 -2.80 116.25 118.45 3do9 h VAL 14 Ca 0.15 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 3do9 h VAL 14 Cb 0.65 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 3do9 h VAL 14 CO 0.05 0.48 -0.24 0.50 0.02 0.00 0.00 177.57 178.37 3do9 h LYS 15 N 0.35 -0.65 -0.08 1.57 3.64 -1.28 -2.70 116.57 117.42 3do9 h LYS 15 Ca 0.03 0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3do9 h LYS 15 Cb 0.86 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.81 3do9 h LYS 15 CO 0.07 -0.39 -0.32 0.11 -2.27 0.00 0.00 179.45 176.65 3do9 h TRP 16 N -0.76 0.17 -0.51 1.91 5.08 -1.52 -2.41 115.95 117.92 3do9 h TRP 16 Ca -0.07 -0.04 -0.10 0.00 1.08 0.00 0.00 58.89 59.76 3do9 h TRP 16 Cb 0.56 -0.04 -0.02 0.00 -3.00 0.00 0.00 29.16 26.66 3do9 h TRP 16 CO -0.02 0.47 -0.07 0.35 -1.28 0.00 0.00 178.44 177.88 3do9 h PHE 17 N 0.14 1.06 0.00 0.12 3.57 -1.47 0.22 116.94 120.58 3do9 h PHE 17 Ca 0.02 -0.21 -0.06 0.00 3.53 0.00 0.00 57.97 61.24 3do9 h PHE 17 Cb 0.65 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3do9 h PHE 17 CO 0.01 1.00 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.72 3do9 h LEU 18 N 0.81 0.00 -0.05 0.59 3.38 -1.42 0.15 115.31 118.78 3do9 h LEU 18 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3do9 h LEU 18 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3do9 h LEU 18 CO 0.04 0.30 -0.31 0.59 0.09 0.00 0.00 178.44 179.14 3do9 n ASN 19 N -3.30 0.39 0.00 -0.43 3.02 -0.90 -4.27 115.26 109.77 3do9 n ASN 19 Ca 0.01 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.46 3do9 n ASN 19 Cb 0.54 0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.72 3do9 n ASN 19 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3do9 n ASN 20 N -1.41 4.42 -4.18 6.41 3.02 0.02 -5.05 115.26 118.49 3do9 n ASN 20 Ca 0.07 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.36 3do9 n ASN 20 Cb 0.33 0.70 -0.16 0.00 -0.61 0.00 0.00 39.78 40.04 3do9 n ASN 20 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3do9 s TYR 21 N -1.82 1.75 -0.33 3.10 1.51 0.03 -5.07 117.35 116.53 3do9 s TYR 21 Ca 0.00 -0.38 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 3do9 s TYR 21 Cb 0.00 -1.14 -0.02 0.00 -0.11 0.00 0.00 41.96 40.69 3do9 s TYR 21 CO 0.00 -0.07 0.29 -1.14 -1.11 0.00 0.00 175.55 173.52 3do9 s GLN 22 N -0.32 3.61 0.50 -0.62 2.00 -1.26 -4.49 119.66 119.08 3do9 s GLN 22 Ca 0.04 -0.47 -0.20 0.00 -2.00 0.00 0.00 55.36 52.73 3do9 s GLN 22 Cb -0.09 -3.78 -0.08 0.00 0.80 0.00 0.00 33.01 29.87 3do9 s GLN 22 CO 0.00 -0.43 1.05 -0.51 -0.50 0.00 0.00 175.29 174.90 3do9 s LEU 23 N 1.86 3.81 0.11 3.68 1.43 -1.26 -0.57 118.68 127.73 3do9 s LEU 23 Ca 0.09 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.99 3do9 s LEU 23 Cb -0.17 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.44 3do9 s LEU 23 CO 0.11 -0.88 1.54 0.11 0.23 0.00 0.00 176.35 177.46 3do9 h LYS 24 N 1.42 0.61 -5.46 1.70 1.57 -1.54 -3.43 116.57 111.44 3do9 h LYS 24 Ca -0.49 -0.20 -0.64 0.00 -1.87 0.00 0.00 60.65 57.44 3do9 h LYS 24 Cb 1.23 -0.05 -0.17 0.00 0.08 0.00 0.00 32.23 33.31 3do9 h LYS 24 CO 0.59 0.74 -0.61 -1.14 -0.57 0.00 0.00 179.45 178.46 3do9 s GLN 25 N -4.95 3.62 0.30 3.15 0.74 -1.26 -5.01 119.66 116.25 3do9 s GLN 25 Ca -0.13 -0.41 0.14 0.00 0.05 0.00 0.00 55.36 55.00 3do9 s GLN 25 Cb 0.09 -3.01 0.40 0.00 1.10 0.00 0.00 33.01 31.59 3do9 s GLN 25 CO 0.78 0.38 1.61 -0.09 -0.55 0.00 0.00 175.29 177.42 3do9 h ARG 26 N 6.27 0.00 0.00 1.67 2.43 -2.00 -3.01 114.38 119.73 3do9 h ARG 26 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 3do9 h ARG 26 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3do9 h ARG 26 CO 0.64 0.55 0.00 1.05 -1.51 0.00 0.00 179.97 180.70 3do9 h GLU 27 N 0.00 0.00 0.00 0.20 9.09 -1.98 -3.01 114.58 118.88 3do9 h GLU 27 Ca -0.01 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.29 3do9 h GLU 27 Cb 1.11 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.19 3do9 h GLU 27 CO 0.07 0.00 -0.57 0.00 0.05 0.00 0.00 179.01 178.57 3do9 h VAL 29 N 0.00 1.21 0.00 0.00 2.07 -1.64 -2.24 116.25 115.65 3do9 h VAL 29 Ca -0.01 -0.68 -0.13 0.00 0.82 0.00 0.00 66.70 66.70 3do9 h VAL 29 Cb 1.04 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 3do9 h VAL 29 CO 0.07 0.25 -0.61 -0.50 0.02 0.00 0.00 177.57 176.80 3do9 h TRP 30 N 0.61 0.00 -0.24 1.57 6.55 -1.48 0.55 115.95 123.51 3do9 h TRP 30 Ca 0.15 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 59.97 3do9 h TRP 30 Cb 0.22 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.51 3do9 h TRP 30 CO 0.01 0.61 0.05 0.82 -1.05 0.00 0.00 178.44 178.88 3do9 h ILE 31 N 0.00 1.22 -0.58 1.49 2.04 -0.92 -1.46 117.51 119.29 3do9 h ILE 31 Ca -0.01 -0.74 -0.10 0.00 1.00 0.00 0.00 64.86 65.01 3do9 h ILE 31 Cb 1.12 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.42 3do9 h ILE 31 CO 0.08 0.24 -0.04 -0.07 0.00 0.00 0.00 178.15 178.36 3do9 h LEU 32 N 0.21 1.04 -1.08 1.44 3.38 -1.17 -1.75 115.31 117.39 3do9 h LEU 32 Ca 0.08 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 3do9 h LEU 32 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3do9 h LEU 32 CO 0.00 1.11 -0.13 0.78 0.09 0.00 0.00 178.44 180.29 3do9 h ASN 33 N 0.95 0.48 -0.39 -0.43 2.35 -0.90 -0.08 115.58 117.56 3do9 h ASN 33 Ca 0.16 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.74 3do9 h ASN 33 Cb 0.60 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3do9 h ASN 33 CO 0.04 0.64 0.05 0.22 -1.65 0.00 0.00 177.43 176.73 3do9 h TYR 34 N 0.45 0.69 -0.04 1.19 3.20 -1.12 -2.71 116.97 118.63 3do9 h TYR 34 Ca 0.08 -0.10 -0.12 0.00 3.14 0.00 0.00 58.73 61.73 3do9 h TYR 34 Cb 0.51 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3do9 h TYR 34 CO 0.02 0.70 -0.54 -0.07 -1.64 0.00 0.00 178.16 176.63 3do9 h LEU 35 N 0.49 0.13 -0.81 2.82 3.38 -0.92 -2.77 115.31 117.63 3do9 h LEU 35 Ca 0.12 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 3do9 h LEU 35 Cb 0.38 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 3do9 h LEU 35 CO 0.01 0.64 -0.37 0.24 0.09 0.00 0.00 178.44 179.05 3do9 h MET 36 N 0.09 0.45 0.00 1.13 2.86 -1.04 -3.13 114.93 115.30 3do9 h MET 36 Ca -0.00 -0.21 -0.09 0.00 -2.06 0.00 0.00 59.70 57.33 3do9 h MET 36 Cb 0.98 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 3do9 h MET 36 CO 0.08 0.76 -0.44 1.03 1.06 0.00 0.00 176.91 179.40 3do9 h SER 37 N 0.38 0.00 -3.32 1.22 0.87 -1.23 -3.39 113.55 108.08 3do9 h SER 37 Ca 0.04 0.00 -0.74 0.00 -1.23 0.00 0.00 61.79 59.86 3do9 h SER 37 Cb 0.83 0.00 -0.28 0.00 -0.44 0.00 0.00 62.40 62.51 3do9 h SER 37 CO 0.07 0.44 -0.32 -1.00 -0.53 0.00 0.00 176.83 175.49 3do9 s HIS 38 N -3.95 3.41 -0.80 2.24 3.76 -1.07 -4.91 115.29 113.97 3do9 s HIS 38 Ca -0.02 -1.79 0.23 0.00 -0.15 0.00 0.00 55.06 53.33 3do9 s HIS 38 Cb 0.13 -3.58 0.89 0.00 1.11 0.00 0.00 32.58 31.14 3do9 s HIS 38 CO 0.73 -0.99 1.70 -0.40 -0.85 0.00 0.00 174.74 174.92 3do9 n ASP 39 N 4.86 0.35 0.08 1.40 3.85 -1.26 -2.08 116.55 123.75 3do9 n ASP 39 Ca -0.07 0.56 -0.08 0.00 -0.71 0.00 0.00 54.79 54.49 3do9 n ASP 39 Cb 0.41 -0.64 0.04 0.00 -1.35 0.00 0.00 41.12 39.57 3do9 n ASP 39 CO 0.00 0.00 0.00 -0.61 -1.01 0.00 0.00 177.20 175.58 3do9 h GLN 40 N 0.00 0.25 -0.06 0.11 5.75 -1.92 -3.24 115.11 116.00 3do9 h GLN 40 Ca 0.00 -0.22 -0.21 0.00 -0.15 0.00 0.00 58.65 58.07 3do9 h GLN 40 Cb 0.43 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.04 3do9 h GLN 40 CO 0.00 0.90 -0.83 -0.07 -2.65 0.00 0.00 178.83 176.18 3do9 h LEU 41 N 0.16 0.58 -0.77 -2.39 -0.00 -1.73 -3.29 115.31 107.86 3do9 h LEU 41 Ca -0.03 -0.41 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 3do9 h LEU 41 Cb 1.34 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 3do9 h LEU 41 CO 0.12 1.18 0.00 0.23 -0.00 0.00 0.00 178.44 179.97 3do9 n MET 42 N -3.82 0.18 -0.19 1.13 2.81 -1.03 -0.82 117.12 115.39 3do9 n MET 42 Ca -0.06 0.45 -0.10 0.00 -1.81 0.00 0.00 57.70 56.18 3do9 n MET 42 Cb 0.77 -1.87 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 3do9 n MET 42 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3do9 h HIS 43 N 0.00 1.09 0.00 2.03 3.86 -1.63 -3.32 115.15 117.18 3do9 h HIS 43 Ca 0.00 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.01 3do9 h HIS 43 Cb 0.31 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3do9 h HIS 43 CO 0.00 0.99 -1.03 1.63 0.86 0.00 0.00 177.93 180.37 3do9 n LYS 44 N -4.23 0.28 -2.35 2.45 5.02 -0.08 -4.87 118.16 114.39 3do9 n LYS 44 Ca 0.02 -0.01 -0.42 0.00 -2.02 0.00 0.00 58.31 55.88 3do9 n LYS 44 Cb 0.35 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3do9 n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3do9 s VAL 45 N -3.20 4.06 -0.07 -0.18 1.01 0.00 -2.10 120.40 119.94 3do9 s VAL 45 Ca 0.04 1.37 0.05 0.00 0.00 0.00 0.00 61.98 63.44 3do9 s VAL 45 Cb 0.14 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3do9 s VAL 45 CO 0.80 -0.05 -0.23 -1.00 0.00 0.00 0.00 175.10 174.62 3do9 s HIS 46 N 2.80 2.50 -0.23 5.22 3.76 0.38 -4.94 115.29 124.78 3do9 s HIS 46 Ca 0.59 -0.70 -0.15 0.00 -0.15 0.00 0.00 55.06 54.66 3do9 s HIS 46 Cb -0.26 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.76 3do9 s HIS 46 CO 0.22 -0.20 0.36 -0.06 -0.85 0.00 0.00 174.74 174.20 3do9 s PHE 47 N -0.13 3.33 0.04 1.40 0.40 -1.26 -0.58 117.98 121.17 3do9 s PHE 47 Ca -0.04 0.50 0.01 0.00 -0.60 0.00 0.00 56.93 56.80 3do9 s PHE 47 Cb -0.14 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.87 3do9 s PHE 47 CO 0.04 -0.06 -0.06 0.08 0.70 0.00 0.00 175.22 175.93 3do9 s VAL 48 N 1.48 0.38 -0.07 -0.44 1.01 -0.30 -0.31 120.40 122.15 3do9 s VAL 48 Ca 0.16 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 60.74 3do9 s VAL 48 Cb -0.15 -0.65 -0.25 0.00 0.00 0.00 0.00 36.38 35.34 3do9 s VAL 48 CO 0.08 -0.51 0.96 -0.33 0.00 0.00 0.00 175.10 175.30 3do9 h GLU 49 N 4.32 0.12 -4.41 2.72 5.08 -1.85 -3.35 114.58 117.21 3do9 h GLU 49 Ca -0.34 -0.14 -0.64 0.00 -1.00 0.00 0.00 59.36 57.24 3do9 h GLU 49 Cb 1.20 0.04 -0.40 0.00 0.50 0.00 0.00 28.75 30.09 3do9 h GLU 49 CO 0.45 0.93 -0.74 -1.01 -1.00 0.00 0.00 179.01 177.63 3do9 s HIS 50 N -2.91 3.11 -2.62 4.33 3.76 -1.26 -4.87 115.29 114.83 3do9 s HIS 50 Ca -0.17 -2.53 0.26 0.00 -0.15 0.00 0.00 55.06 52.47 3do9 s HIS 50 Cb -0.00 -2.43 0.76 0.00 1.11 0.00 0.00 32.58 32.02 3do9 s HIS 50 CO 0.73 -0.91 1.58 0.00 -0.85 0.00 0.00 174.74 175.29 3do9 n ALA 51 N 4.45 2.53 0.43 -1.40 0.00 -1.26 -4.15 120.51 121.11 3do9 n ALA 51 Ca -0.00 -0.54 0.13 0.00 0.00 0.00 0.00 53.44 53.02 3do9 n ALA 51 Cb 0.42 -1.05 0.48 0.00 0.00 0.00 0.00 19.45 19.30 3do9 n ALA 51 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 3do9 h LYS 52 N 3.08 0.00 -0.00 0.00 2.10 -1.93 -2.82 116.57 117.00 3do9 h LYS 52 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3do9 h LYS 52 Cb 0.66 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.99 3do9 h LYS 52 CO 0.00 0.00 -0.18 0.66 -2.00 0.00 0.00 179.45 177.93 3do9 n TYR 53 N -2.40 0.00 -3.63 0.07 4.01 -1.26 -4.95 117.16 109.01 3do9 n TYR 53 Ca 0.03 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.42 3do9 n TYR 53 Cb 0.31 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.10 3do9 n TYR 53 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3do9 n PRO 55 N 0.96 -0.08 -3.29 0.00 -0.02 -1.26 -3.48 135.00 127.82 3do9 n PRO 55 Ca -0.09 1.46 -0.25 0.00 -2.02 0.00 0.00 63.50 62.60 3do9 n PRO 55 Cb 0.52 -2.28 -0.08 0.00 -0.02 0.00 0.00 33.50 31.64 3do9 n PRO 55 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3do9 n ARG 56 N -5.47 0.98 -3.28 -0.52 0.63 -1.22 -2.56 116.66 105.22 3do9 n ARG 56 Ca 0.21 -3.51 -0.39 0.00 -0.92 0.00 0.00 57.85 53.24 3do9 n ARG 56 Cb 0.68 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 32.02 3do9 n ARG 56 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3do9 s GLY 57 N -1.22 2.16 -0.17 5.14 0.00 -0.27 -1.04 107.32 111.92 3do9 s GLY 57 Ca 0.35 -0.35 -0.04 0.00 0.00 0.00 0.00 44.72 44.68 3do9 s GLY 57 CO -0.11 0.97 -0.03 -2.27 0.00 0.00 0.00 173.10 171.66 3do9 s LEU 58 N 1.32 3.22 -0.13 0.66 2.96 0.34 0.24 118.68 127.29 3do9 s LEU 58 Ca 0.24 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 3do9 s LEU 58 Cb -0.15 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.77 3do9 s LEU 58 CO 0.10 0.13 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.42 3do9 s VAL 59 N 0.59 1.54 0.04 1.68 1.01 -0.29 -0.85 120.40 124.12 3do9 s VAL 59 Ca -0.02 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.35 3do9 s VAL 59 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 3do9 s VAL 59 CO 0.02 0.45 -0.08 -0.04 0.00 0.00 0.00 175.10 175.46 3do9 s MET 60 N 1.29 0.54 -0.00 2.72 -1.94 -0.66 -0.89 119.30 120.35 3do9 s MET 60 Ca 0.00 -0.73 0.02 0.00 -1.71 0.00 0.00 55.69 53.27 3do9 s MET 60 Cb -0.14 -0.33 -0.01 0.00 2.01 0.00 0.00 34.83 36.37 3do9 s MET 60 CO -0.07 0.06 -0.07 -1.12 -0.01 0.00 0.00 175.02 173.81 3do9 s SER 61 N -1.49 0.83 0.73 3.03 0.01 -0.60 -0.98 113.70 115.23 3do9 s SER 61 Ca -0.09 -0.14 -0.09 0.00 1.31 0.00 0.00 55.95 56.94 3do9 s SER 61 Cb -0.09 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.10 3do9 s SER 61 CO 0.00 0.08 1.08 0.00 0.41 0.00 0.00 173.24 174.82 3do9 s ALA 62 N -0.19 2.93 -1.54 1.44 0.00 0.51 -1.64 121.76 123.26 3do9 s ALA 62 Ca 0.02 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.33 3do9 s ALA 62 Cb -0.03 -2.81 0.16 0.00 0.00 0.00 0.00 23.12 20.43 3do9 s ALA 62 CO -0.00 -1.37 0.98 0.27 0.00 0.00 0.00 175.76 175.64 3do9 n ASN 63 N -3.05 1.32 -0.08 0.00 2.04 0.26 -4.05 115.26 111.70 3do9 n ASN 63 Ca 0.07 -2.08 -0.07 0.00 -0.44 0.00 0.00 54.58 52.06 3do9 n ASN 63 Cb 0.60 -0.28 -0.02 0.00 -2.53 0.00 0.00 39.78 37.55 3do9 n ASN 63 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3do9 s VAL 65 N -2.57 4.03 -0.23 0.00 1.01 -1.26 -4.95 120.40 116.43 3do9 s VAL 65 Ca -0.22 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.24 3do9 s VAL 65 Cb 0.03 -3.72 0.19 0.00 0.00 0.00 0.00 36.38 32.88 3do9 s VAL 65 CO 0.33 -0.07 1.18 0.29 0.00 0.00 0.00 175.10 176.83 3do9 n LYS 66 N -0.17 1.45 -2.47 2.72 4.76 -1.26 -4.78 118.16 118.42 3do9 n LYS 66 Ca 0.05 -0.82 -0.34 0.00 -2.87 0.00 0.00 58.31 54.33 3do9 n LYS 66 Cb 0.51 -1.38 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 3do9 n LYS 66 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3do9 s ASP 67 N 0.28 6.22 0.26 4.39 1.11 -1.26 -5.00 116.67 122.68 3do9 s ASP 67 Ca 0.15 1.94 -0.30 0.00 0.18 0.00 0.00 52.55 54.53 3do9 s ASP 67 Cb 0.13 -2.56 -0.10 0.00 1.07 0.00 0.00 42.92 41.46 3do9 s ASP 67 CO 0.03 -0.86 1.32 0.42 1.18 0.00 0.00 175.17 177.25 3do9 s THR 68 N -2.00 2.95 0.05 -1.27 -4.23 -1.26 -4.87 115.64 105.01 3do9 s THR 68 Ca 0.67 0.85 -0.10 0.00 -1.18 0.00 0.00 61.69 61.94 3do9 s THR 68 Cb -0.17 -3.54 -0.02 0.00 1.34 0.00 0.00 72.50 70.10 3do9 s THR 68 CO 0.22 0.16 1.17 -0.65 -0.54 0.00 0.00 174.62 174.99 3do9 h PRO 69 N 4.46 -0.00 -3.91 3.99 0.11 -1.93 -3.38 132.00 131.33 3do9 h PRO 69 Ca -0.47 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.38 3do9 h PRO 69 Cb 1.22 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.05 3do9 h PRO 69 CO 0.72 -0.00 -0.73 0.12 -0.21 0.00 0.00 178.00 177.90 3do9 s PHE 70 N -3.80 0.16 0.03 0.65 2.19 -1.26 -1.55 117.98 114.39 3do9 s PHE 70 Ca -0.04 -0.03 -0.01 0.00 0.33 0.00 0.00 56.93 57.18 3do9 s PHE 70 Cb 0.03 -0.11 -0.02 0.00 -1.31 0.00 0.00 43.02 41.61 3do9 s PHE 70 CO 0.20 -0.01 -0.00 -1.01 1.83 0.00 0.00 175.22 176.23 3do9 s HIS 71 N 0.00 0.29 -0.04 10.12 3.76 -0.07 -4.67 115.29 124.68 3do9 s HIS 71 Ca 0.00 -0.60 -0.00 0.00 -0.15 0.00 0.00 55.06 54.31 3do9 s HIS 71 Cb -0.01 -0.21 0.03 0.00 1.11 0.00 0.00 32.58 33.49 3do9 s HIS 71 CO -0.00 -0.25 -0.00 0.12 -0.85 0.00 0.00 174.74 173.75 3do9 s PHE 72 N -2.06 0.45 -0.47 1.40 5.36 0.14 -1.13 117.98 121.67 3do9 s PHE 72 Ca -0.10 -0.05 -0.01 0.00 -0.96 0.00 0.00 56.93 55.80 3do9 s PHE 72 Cb -0.05 -0.56 0.12 0.00 -0.34 0.00 0.00 43.02 42.19 3do9 s PHE 72 CO -0.03 -0.20 0.25 -0.06 -1.46 0.00 0.00 175.22 173.72 3do9 s PHE 73 N 1.36 3.53 0.81 10.12 0.08 0.14 0.62 117.98 134.63 3do9 s PHE 73 Ca -0.05 -2.65 -0.11 0.00 0.12 0.00 0.00 56.93 54.24 3do9 s PHE 73 Cb -0.13 -3.14 0.10 0.00 -0.57 0.00 0.00 43.02 39.27 3do9 s PHE 73 CO -0.02 -0.91 1.17 0.15 -0.10 0.00 0.00 175.22 175.50 3do9 s LYS 74 N 0.66 1.79 0.45 0.44 1.02 0.65 -1.12 119.74 123.63 3do9 s LYS 74 Ca 0.12 -0.06 0.19 0.00 0.02 0.00 0.00 55.97 56.23 3do9 s LYS 74 Cb -0.22 -1.98 1.14 0.00 -0.52 0.00 0.00 37.83 36.25 3do9 s LYS 74 CO -0.04 -1.66 1.91 1.96 -0.92 0.00 0.00 175.35 176.60 3do9 h GLN 75 N -1.06 0.32 0.00 1.68 4.20 -1.79 -3.18 115.11 115.28 3do9 h GLN 75 Ca -0.45 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.18 3do9 h GLN 75 Cb 1.31 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3do9 h GLN 75 CO 0.60 0.21 -1.22 0.09 -0.67 0.00 0.00 178.83 177.84 3do9 n ASN 76 N -4.46 4.16 -4.63 1.46 3.02 -1.26 -5.05 115.26 108.49 3do9 n ASN 76 Ca 0.16 -0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.36 3do9 n ASN 76 Cb 0.62 0.50 -0.10 0.00 -0.61 0.00 0.00 39.78 40.19 3do9 n ASN 76 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3do9 s VAL 77 N -2.08 4.12 -0.24 2.41 1.01 -1.20 -5.09 120.40 119.34 3do9 s VAL 77 Ca -0.02 -0.31 -0.06 0.00 0.00 0.00 0.00 61.98 61.59 3do9 s VAL 77 Cb 0.01 -2.74 -0.02 0.00 0.00 0.00 0.00 36.38 33.64 3do9 s VAL 77 CO 0.13 0.58 0.01 0.00 0.00 0.00 0.00 175.10 175.82 3do9 s MET 78 N -0.65 3.51 0.14 2.72 0.23 -1.26 -0.25 119.30 123.74 3do9 s MET 78 Ca 0.10 -0.55 0.11 0.00 -1.03 0.00 0.00 55.69 54.32 3do9 s MET 78 Cb -0.12 -3.17 -0.04 0.00 -1.53 0.00 0.00 34.83 29.97 3do9 s MET 78 CO 0.02 -0.20 -0.25 -0.08 -2.03 0.00 0.00 175.02 172.48 3do9 s THR 79 N 1.55 2.36 -0.27 3.16 -1.32 0.20 -4.96 115.64 116.36 3do9 s THR 79 Ca 0.06 -1.77 0.10 0.00 -1.21 0.00 0.00 61.69 58.87 3do9 s THR 79 Cb -0.15 -2.07 -0.13 0.00 -1.51 0.00 0.00 72.50 68.65 3do9 s THR 79 CO 0.00 0.06 0.34 1.07 -2.21 0.00 0.00 174.62 173.87 3do9 n THR 80 N 0.78 0.00 -2.46 5.08 5.66 -1.26 0.26 114.28 122.34 3do9 n THR 80 Ca -0.17 -0.25 -0.43 0.00 -3.05 0.00 0.00 64.05 60.15 3do9 n THR 80 Cb 0.53 0.68 -0.02 0.00 -1.55 0.00 0.00 70.33 69.97 3do9 n THR 80 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3do9 s ASP 81 N -2.49 6.39 0.28 1.09 3.68 -1.26 -4.74 116.67 119.63 3do9 s ASP 81 Ca 0.00 0.53 0.04 0.00 2.13 0.00 0.00 52.55 55.25 3do9 s ASP 81 Cb 0.07 -2.55 0.41 0.00 -1.45 0.00 0.00 42.92 39.41 3do9 s ASP 81 CO 0.42 -1.44 1.70 0.00 0.13 0.00 0.00 175.17 175.98 3do9 h ALA 82 N 10.21 1.08 -0.34 3.66 0.00 -1.94 -2.04 119.26 129.90 3do9 h ALA 82 Ca -0.26 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 3do9 h ALA 82 Cb 1.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3do9 h ALA 82 CO 1.13 0.57 0.02 0.93 0.00 0.00 0.00 179.25 181.90 3do9 h GLU 83 N 0.34 0.59 -0.10 0.00 5.08 -1.96 0.59 114.58 119.12 3do9 h GLU 83 Ca 0.04 -0.18 -0.15 0.00 -1.00 0.00 0.00 59.36 58.07 3do9 h GLU 83 Cb 0.74 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 3do9 h GLU 83 CO 0.06 0.70 -0.59 -0.22 -1.00 0.00 0.00 179.01 177.96 3do9 h LYS 84 N 0.41 0.33 -0.03 2.33 1.63 -1.97 -0.55 116.57 118.73 3do9 h LYS 84 Ca 0.10 -0.22 -0.14 0.00 -0.85 0.00 0.00 60.65 59.53 3do9 h LYS 84 Cb 0.42 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.06 3do9 h LYS 84 CO 0.01 0.82 -0.65 0.77 -3.45 0.00 0.00 179.45 176.96 3do9 h SER 85 N 0.25 0.13 0.51 4.20 0.02 -1.22 0.13 113.55 117.57 3do9 h SER 85 Ca -0.00 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 3do9 h SER 85 Cb 1.10 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3do9 h SER 85 CO 0.10 0.74 -0.24 0.15 -1.14 0.00 0.00 176.83 176.43 3do9 h PHE 86 N 0.08 -0.63 -0.41 3.45 3.04 0.33 -1.98 116.94 120.82 3do9 h PHE 86 Ca -0.01 -0.01 0.10 0.00 3.98 0.00 0.00 57.97 62.02 3do9 h PHE 86 Cb 1.16 0.21 -0.02 0.00 2.56 0.00 0.00 35.95 39.86 3do9 h PHE 86 CO 0.01 -0.31 0.29 1.25 -2.02 0.00 0.00 178.31 177.53 3do9 h HIS 87 N -0.94 0.11 0.73 0.41 2.76 -1.05 -0.44 115.15 116.73 3do9 h HIS 87 Ca -0.07 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.07 3do9 h HIS 87 Cb 0.61 -0.04 0.01 0.00 1.55 0.00 0.00 27.41 29.54 3do9 h HIS 87 CO 0.00 0.05 -0.35 0.22 -1.30 0.00 0.00 177.93 176.56 3do9 h ASP 88 N 0.11 -0.83 0.82 3.26 3.58 -0.69 -3.27 116.42 119.41 3do9 h ASP 88 Ca 0.19 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.65 3do9 h ASP 88 Cb 0.62 0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.88 3do9 h ASP 88 CO -0.02 -0.49 0.00 2.30 -2.88 0.00 0.00 179.24 178.15 3do9 n ILE 89 N -5.45 0.78 -0.13 2.25 -5.35 -0.75 -0.17 119.36 110.55 3do9 n ILE 89 Ca -0.13 0.14 -0.09 0.00 -0.27 0.00 0.00 62.75 62.40 3do9 n ILE 89 Cb 0.40 -1.02 -0.01 0.00 -1.74 0.00 0.00 39.64 37.27 3do9 n ILE 89 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 3do9 h ARG 90 N 0.00 0.56 0.00 6.28 2.47 -1.16 -3.38 114.38 119.15 3do9 h ARG 90 Ca 0.00 -0.09 -0.40 0.00 -1.26 0.00 0.00 59.98 58.23 3do9 h ARG 90 Cb 0.41 -0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.57 3do9 h ARG 90 CO 0.00 0.50 -2.24 1.28 0.56 0.00 0.00 179.97 180.07 3do9 n LEU 91 N -4.70 2.07 -4.56 3.04 4.32 -0.88 -4.67 117.00 111.62 3do9 n LEU 91 Ca -0.00 0.30 -0.14 0.00 -0.02 0.00 0.00 56.01 56.16 3do9 n LEU 91 Cb 0.11 -0.87 -0.10 0.00 -1.62 0.00 0.00 43.42 40.94 3do9 n LEU 91 CO 0.36 0.56 1.12 0.59 -1.22 0.00 0.00 177.39 178.80 3do9 n ASN 92 N -4.16 1.42 -4.34 -1.43 5.03 0.76 -4.89 115.26 107.65 3do9 n ASN 92 Ca -0.48 -2.14 -0.30 0.00 0.87 0.00 0.00 54.58 52.53 3do9 n ASN 92 Cb 0.86 -1.69 -0.15 0.00 -1.02 0.00 0.00 39.78 37.78 3do9 n ASN 92 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 3do9 s ARG 93 N 8.64 1.86 -1.08 3.52 0.52 -1.26 -4.45 118.95 126.69 3do9 s ARG 93 Ca 0.85 -1.07 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3do9 s ARG 93 Cb -0.08 -1.98 -0.06 0.00 0.52 0.00 0.00 34.95 33.35 3do9 s ARG 93 CO 0.15 0.52 0.91 -3.47 0.02 0.00 0.00 175.30 173.43 3do9 n ASP 94 N 1.92 -6.03 -4.07 0.23 2.03 -1.26 -5.06 116.55 104.30 3do9 n ASP 94 Ca -0.17 -0.74 -0.24 0.00 0.52 0.00 0.00 54.79 54.16 3do9 n ASP 94 Cb 0.52 -4.98 -0.16 0.00 -0.72 0.00 0.00 41.12 35.78 3do9 n ASP 94 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3do9 s GLU 95 N -4.68 1.55 0.45 -0.67 8.01 -1.26 -5.16 118.70 116.93 3do9 s GLU 95 Ca 0.42 -0.48 -0.20 0.00 0.01 0.00 0.00 54.97 54.72 3do9 s GLU 95 Cb -0.07 -1.34 -0.15 0.00 -4.31 0.00 0.00 34.13 28.26 3do9 s GLU 95 CO 0.75 0.15 0.03 -0.25 0.01 0.00 0.00 175.26 175.95 3do9 n ASP 96 N 3.37 -3.08 -4.43 -0.19 8.00 -1.26 -4.98 116.55 113.98 3do9 n ASP 96 Ca -0.19 0.75 -0.32 0.00 0.71 0.00 0.00 54.79 55.74 3do9 n ASP 96 Cb 0.53 -0.88 -0.14 0.00 -0.02 0.00 0.00 41.12 40.61 3do9 n ASP 96 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3do9 s ILE 97 N -1.80 2.77 -0.26 0.53 1.01 -0.89 -4.43 121.20 118.13 3do9 s ILE 97 Ca 0.59 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3do9 s ILE 97 Cb -0.58 -2.06 0.05 0.00 0.01 0.00 0.00 42.46 39.88 3do9 s ILE 97 CO 0.64 0.59 -0.08 -0.31 0.00 0.00 0.00 174.94 175.78 3do9 s TYR 98 N -0.67 3.18 -0.12 3.97 2.02 -0.21 -0.47 117.35 125.05 3do9 s TYR 98 Ca 0.10 -1.98 -0.03 0.00 -0.37 0.00 0.00 57.07 54.79 3do9 s TYR 98 Cb -0.11 -2.01 -0.03 0.00 -0.40 0.00 0.00 41.96 39.42 3do9 s TYR 98 CO 0.00 -0.82 -0.00 0.42 -1.57 0.00 0.00 175.55 173.58 3do9 s ILE 99 N 1.21 4.24 0.06 2.71 1.01 0.25 0.13 121.20 130.80 3do9 s ILE 99 Ca -0.05 -0.26 0.09 0.00 0.00 0.00 0.00 60.65 60.44 3do9 s ILE 99 Cb -0.19 -2.82 -0.03 0.00 0.01 0.00 0.00 42.46 39.43 3do9 s ILE 99 CO -0.04 0.55 -0.26 0.00 0.00 0.00 0.00 174.94 175.18 3do9 s GLN 100 N -0.32 1.76 -0.05 2.79 -2.07 -0.03 -1.15 119.66 120.59 3do9 s GLN 100 Ca 0.06 -1.14 0.06 0.00 -1.82 0.00 0.00 55.36 52.52 3do9 s GLN 100 Cb -0.12 -1.98 -0.01 0.00 -1.09 0.00 0.00 33.01 29.81 3do9 s GLN 100 CO 0.02 0.51 -0.23 -0.51 -1.32 0.00 0.00 175.29 173.75 3do9 s LEU 101 N -1.36 2.03 -0.48 2.60 2.01 -1.26 -1.66 118.68 120.57 3do9 s LEU 101 Ca 0.12 -0.47 -0.03 0.00 0.01 0.00 0.00 54.13 53.76 3do9 s LEU 101 Cb -0.10 -1.27 0.13 0.00 0.01 0.00 0.00 46.19 44.96 3do9 s LEU 101 CO 0.03 0.23 0.28 0.20 1.01 0.00 0.00 176.35 178.10 3do9 s ASN 102 N -0.17 5.29 0.07 2.29 0.02 -0.15 -5.00 114.94 117.29 3do9 s ASN 102 Ca -0.02 -2.26 0.04 0.00 -1.02 0.00 0.00 52.86 49.59 3do9 s ASN 102 Cb -0.13 -1.85 -0.03 0.00 0.02 0.00 0.00 41.25 39.26 3do9 s ASN 102 CO 0.03 -0.51 -0.11 0.72 0.02 0.00 0.00 177.10 177.26 3do9 s PHE 103 N 0.81 0.99 0.14 2.20 -0.71 -1.26 -0.36 117.98 119.79 3do9 s PHE 103 Ca 0.11 -0.56 -0.28 0.00 -1.04 0.00 0.00 56.93 55.16 3do9 s PHE 103 Cb -0.22 -0.56 -0.03 0.00 -1.21 0.00 0.00 43.02 41.00 3do9 s PHE 103 CO -0.04 -0.01 1.58 -0.22 -1.34 0.00 0.00 175.22 175.19 3do9 h LYS 104 N 4.04 -0.38 -0.05 1.99 3.64 -1.95 -2.93 116.57 120.93 3do9 h LYS 104 Ca -0.38 0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 58.94 3do9 h LYS 104 Cb 1.19 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3do9 h LYS 104 CO 0.46 -0.26 -0.30 0.66 -2.27 0.00 0.00 179.45 177.74 3do9 h SER 105 N -0.40 0.35 0.00 4.20 4.64 -2.01 -3.47 113.55 116.87 3do9 h SER 105 Ca 0.11 -0.67 0.00 0.00 -0.47 0.00 0.00 61.79 60.76 3do9 h SER 105 Cb 0.60 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3do9 h SER 105 CO -0.51 0.97 0.00 -1.20 -0.87 0.00 0.00 176.83 175.22 3do9 n SER 106 N -4.45 0.00 -0.62 4.97 7.64 -1.11 -2.73 113.62 117.33 3do9 n SER 106 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3do9 n SER 106 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 3do9 n SER 106 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3do9 n PHE 107 N 0.00 0.00 0.32 1.43 3.72 -1.26 -2.16 117.46 119.52 3do9 n PHE 107 Ca 0.00 -0.11 0.11 0.00 -0.05 0.00 0.00 57.45 57.40 3do9 n PHE 107 Cb 0.00 -0.13 -0.09 0.00 -0.94 0.00 0.00 39.48 38.32 3do9 n PHE 107 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3do9 n GLN 108 N 0.15 0.45 -3.72 -1.08 7.27 -1.10 -4.19 117.38 115.15 3do9 n GLN 108 Ca 0.00 -0.08 -0.37 0.00 0.07 0.00 0.00 57.00 56.62 3do9 n GLN 108 Cb 0.29 -1.57 -0.12 0.00 2.41 0.00 0.00 30.24 31.24 3do9 n GLN 108 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 3do9 s ASN 109 N -4.21 5.28 0.20 1.69 0.01 -0.92 -4.82 114.94 112.17 3do9 s ASN 109 Ca -0.01 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.56 3do9 s ASN 109 Cb 0.14 -1.94 0.12 0.00 0.41 0.00 0.00 41.25 39.98 3do9 s ASN 109 CO 0.86 -0.14 1.85 0.00 -1.51 0.00 0.00 177.10 178.16 3do9 h ALA 110 N 8.28 0.87 -0.04 0.60 0.00 -1.91 -2.63 119.26 124.43 3do9 h ALA 110 Ca -0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3do9 h ALA 110 Cb 1.15 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3do9 h ALA 110 CO 0.60 0.33 -0.17 -2.95 0.00 0.00 0.00 179.25 177.06 3do9 h ASN 111 N 0.93 0.06 -0.23 0.00 -0.00 -1.96 0.27 115.58 114.64 3do9 h ASN 111 Ca 0.25 -0.01 -0.20 0.00 -0.00 0.00 0.00 56.30 56.34 3do9 h ASN 111 Cb -0.06 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 38.25 3do9 h ASN 111 CO -0.05 0.23 -0.63 0.22 -0.00 0.00 0.00 177.43 177.20 3do9 h TYR 112 N 0.06 1.09 -0.20 4.14 5.03 -1.81 -1.90 116.97 123.38 3do9 h TYR 112 Ca 0.01 -0.42 -0.13 0.00 2.58 0.00 0.00 58.73 60.78 3do9 h TYR 112 Cb 0.33 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.41 3do9 h TYR 112 CO 0.00 1.25 -0.41 0.28 -1.32 0.00 0.00 178.16 177.97 3do9 h VAL 113 N 0.63 1.30 -0.09 1.81 2.07 -1.11 -2.86 116.25 118.01 3do9 h VAL 113 Ca -0.01 -1.56 -0.13 0.00 0.82 0.00 0.00 66.70 65.81 3do9 h VAL 113 Cb 1.25 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.60 3do9 h VAL 113 CO 0.14 0.49 -0.54 0.00 0.02 0.00 0.00 177.57 177.67 3do9 h ALA 114 N 1.17 0.92 0.00 1.67 0.00 -0.49 -3.16 119.26 119.37 3do9 h ALA 114 Ca 0.03 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3do9 h ALA 114 Cb 0.88 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3do9 h ALA 114 CO 0.07 0.69 -0.03 -0.24 0.00 0.00 0.00 179.25 179.74 3do9 h VAL 115 N 0.19 0.00 -3.95 0.00 3.04 -1.23 -3.47 116.25 110.84 3do9 h VAL 115 Ca 0.00 -0.65 -0.52 0.00 -1.01 0.00 0.00 66.70 64.53 3do9 h VAL 115 Cb 1.02 1.63 0.08 0.00 -2.01 0.00 0.00 31.29 32.00 3do9 h VAL 115 CO 0.08 0.00 0.58 -0.76 -1.01 0.00 0.00 177.57 176.46 3do9 s LEU 116 N -5.05 4.19 0.21 3.16 1.43 -1.09 -4.33 118.68 117.20 3do9 s LEU 116 Ca 0.09 2.57 0.08 0.00 -1.03 0.00 0.00 54.13 55.85 3do9 s LEU 116 Cb 0.10 -3.96 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 3do9 s LEU 116 CO 0.63 -0.84 -0.16 -1.61 0.23 0.00 0.00 176.35 174.60 3do9 s GLU 117 N -2.29 1.38 -0.26 1.70 2.02 0.58 -4.99 118.70 116.84 3do9 s GLU 117 Ca 0.58 -1.60 -0.29 0.00 0.02 0.00 0.00 54.97 53.68 3do9 s GLU 117 Cb -0.36 -1.23 -0.03 0.00 0.10 0.00 0.00 34.13 32.61 3do9 s GLU 117 CO 0.46 0.21 1.75 -1.21 0.02 0.00 0.00 175.26 176.49 3do9 s GLU 118 N -3.55 3.56 -0.41 1.61 0.41 -1.26 -4.71 118.70 114.35 3do9 s GLU 118 Ca 0.23 1.63 -0.23 0.00 -0.41 0.00 0.00 54.97 56.19 3do9 s GLU 118 Cb -0.02 -4.14 0.02 0.00 -1.78 0.00 0.00 34.13 28.21 3do9 s GLU 118 CO 0.08 -1.58 0.77 1.21 -0.49 0.00 0.00 175.26 175.25 3do9 s ASN 119 N 5.33 6.47 -0.21 -0.19 2.47 -1.26 -4.95 114.94 122.60 3do9 s ASN 119 Ca 0.78 0.09 0.03 0.00 0.42 0.00 0.00 52.86 54.18 3do9 s ASN 119 Cb -0.25 -2.39 0.38 0.00 -1.45 0.00 0.00 41.25 37.54 3do9 s ASN 119 CO 0.32 -0.82 1.42 -0.81 -3.72 0.00 0.00 177.10 173.49 3do9 n PRO 120 N 6.56 2.03 -0.00 0.43 -0.04 -1.26 -3.53 135.00 139.18 3do9 n PRO 120 Ca 0.02 -1.64 0.00 0.00 -0.04 0.00 0.00 63.50 61.84 3do9 n PRO 120 Cb 0.48 -1.70 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3do9 n PRO 120 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3do9 n TYR 121 N -0.21 0.01 -2.17 0.54 4.02 -1.26 -5.02 117.16 113.06 3do9 n TYR 121 Ca 0.28 -0.36 -0.42 0.00 -0.01 0.00 0.00 57.90 57.39 3do9 n TYR 121 Cb 1.04 -0.04 -0.03 0.00 -0.02 0.00 0.00 39.34 40.30 3do9 n TYR 121 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3do9 s LEU 122 N -0.72 4.37 0.00 7.72 1.98 -1.23 -4.87 118.68 125.92 3do9 s LEU 122 Ca 0.00 2.31 0.00 0.00 -2.89 0.00 0.00 54.13 53.55 3do9 s LEU 122 Cb 0.00 -3.58 0.00 0.00 0.66 0.00 0.00 46.19 43.27 3do9 s LEU 122 CO 0.00 -0.66 0.00 -0.81 -1.89 0.00 0.00 176.35 172.99 3do9 n PRO 123 N 4.09 0.00 -0.34 0.98 -0.04 -1.26 -4.80 135.00 133.63 3do9 n PRO 123 Ca 0.12 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.69 3do9 n PRO 123 Cb 0.42 0.00 0.31 0.00 -0.04 0.00 0.00 33.50 34.19 3do9 n PRO 123 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 3do9 n LYS 124 N 0.00 2.67 -3.69 0.54 -0.00 -1.26 -5.24 118.16 111.17 3do9 n LYS 124 Ca 0.00 -2.58 -0.37 0.00 -0.00 0.00 0.00 58.31 55.36 3do9 n LYS 124 Cb 0.00 -1.56 -0.10 0.00 -0.00 0.00 0.00 35.03 33.37 3do9 n LYS 124 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 3do9 s HIS 125 N -1.10 3.48 0.00 5.58 3.76 -1.26 -5.34 115.29 120.41 3do9 s HIS 125 Ca 0.47 -2.50 0.00 0.00 -0.15 0.00 0.00 55.06 52.88 3do9 s HIS 125 Cb 0.25 -3.28 0.00 0.00 1.11 0.00 0.00 32.58 30.66 3do9 s HIS 125 CO 0.33 -0.90 0.00 -1.71 -0.85 0.00 0.00 174.74 171.61 3do9 n ASN 129 N 3.97 0.00 -2.64 1.40 5.15 -1.26 -5.12 115.26 116.76 3do9 n ASN 129 Ca 0.04 0.40 -0.18 0.00 -0.60 0.00 0.00 54.58 54.24 3do9 n ASN 129 Cb 0.40 -0.60 0.00 0.00 -0.53 0.00 0.00 39.78 39.05 3do9 n ASN 129 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3do9 n GLU 130 N 0.57 -2.67 0.01 1.20 -0.58 -1.26 -4.84 120.64 113.07 3do9 n GLU 130 Ca 0.00 0.76 0.12 0.00 -0.42 0.00 0.00 57.16 57.62 3do9 n GLU 130 Cb 0.00 -5.44 0.21 0.00 -0.57 0.00 0.00 31.44 25.64 3do9 n GLU 130 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 3do9 n LYS 131 N -3.20 0.04 -0.03 3.49 4.81 -1.26 -3.40 118.16 118.61 3do9 n LYS 131 Ca -0.16 0.01 -0.07 0.00 -0.87 0.00 0.00 58.31 57.22 3do9 n LYS 131 Cb 0.63 -1.52 0.11 0.00 0.02 0.00 0.00 35.03 34.27 3do9 n LYS 131 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 3do9 h ASP 132 N 0.00 0.65 0.60 3.14 3.58 -2.02 -3.21 116.42 119.17 3do9 h ASP 132 Ca 0.00 -0.26 -0.28 0.00 0.42 0.00 0.00 57.03 56.91 3do9 h ASP 132 Cb 0.53 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.40 3do9 h ASP 132 CO 0.00 0.93 -1.33 -0.09 -2.88 0.00 0.00 179.24 175.87 3do9 h ARG 133 N 0.53 0.23 0.00 0.28 2.43 -1.95 -3.26 114.38 112.64 3do9 h ARG 133 Ca 0.06 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 3do9 h ARG 133 Cb 0.82 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 3do9 h ARG 133 CO 0.07 1.15 0.00 1.47 -1.51 0.00 0.00 179.97 181.14 3do9 n LEU 134 N -3.48 0.48 -0.31 3.80 -0.00 -1.22 -2.19 117.00 114.08 3do9 n LEU 134 Ca -0.11 0.58 -0.02 0.00 -0.00 0.00 0.00 56.01 56.46 3do9 n LEU 134 Cb 1.02 -0.48 0.13 0.00 -0.00 0.00 0.00 43.42 44.10 3do9 n LEU 134 CO 0.52 -0.32 1.21 -0.07 -0.00 0.00 0.00 177.39 178.73 3do9 h LEU 135 N 0.00 1.06 -0.51 1.47 -0.00 -1.59 -1.72 115.31 114.02 3do9 h LEU 135 Ca 0.00 -0.07 -0.16 0.00 -0.00 0.00 0.00 57.88 57.65 3do9 h LEU 135 Cb 0.46 -0.27 -0.02 0.00 -0.00 0.00 0.00 40.66 40.83 3do9 h LEU 135 CO 0.00 0.82 -0.74 0.00 -0.00 0.00 0.00 178.44 178.52 3do9 h ALA 136 N 1.35 0.75 -0.09 1.53 0.00 -1.59 -3.05 119.26 118.17 3do9 h ALA 136 Ca 0.31 -0.66 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 3do9 h ALA 136 Cb -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.66 3do9 h ALA 136 CO -0.06 0.90 -0.80 0.93 0.00 0.00 0.00 179.25 180.22 3do9 h GLU 137 N 0.04 0.58 -0.00 0.00 5.08 -1.31 -2.63 114.58 116.33 3do9 h GLU 137 Ca -0.01 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 3do9 h GLU 137 Cb 1.31 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.67 3do9 h GLU 137 CO 0.10 1.13 -0.19 2.89 -1.00 0.00 0.00 179.01 181.94 3do9 n ARG 138 N -3.86 0.63 0.03 2.33 1.85 -0.68 -1.57 116.66 115.40 3do9 n ARG 138 Ca -0.06 -0.28 -0.13 0.00 -1.00 0.00 0.00 57.85 56.38 3do9 n ARG 138 Cb 0.75 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.66 3do9 n ARG 138 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 3do9 h PHE 139 N 0.69 0.71 0.55 2.89 3.04 -1.41 -2.87 116.94 120.54 3do9 h PHE 139 Ca 0.00 -0.33 -0.03 0.00 3.98 0.00 0.00 57.97 61.59 3do9 h PHE 139 Cb 0.43 -0.10 0.01 0.00 2.56 0.00 0.00 35.95 38.84 3do9 h PHE 139 CO 0.00 1.12 -0.26 1.25 -2.02 0.00 0.00 178.31 178.39 3do9 h LEU 140 N 0.34 -0.62 -0.79 0.59 6.46 -1.23 -2.85 115.31 117.20 3do9 h LEU 140 Ca -0.05 -0.04 0.19 0.00 -0.12 0.00 0.00 57.88 57.87 3do9 h LEU 140 Cb 1.39 0.16 -0.13 0.00 -0.73 0.00 0.00 40.66 41.35 3do9 h LEU 140 CO 0.14 -0.23 0.12 -0.33 -0.62 0.00 0.00 178.44 177.52 3do9 h GLU 141 N -1.10 0.17 -0.22 1.25 5.08 -1.41 0.12 114.58 118.47 3do9 h GLU 141 Ca -0.08 -0.01 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 3do9 h GLU 141 Cb 0.62 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 3do9 h GLU 141 CO 0.12 0.11 -0.57 0.93 -1.00 0.00 0.00 179.01 178.61 3do9 h GLU 142 N 0.18 0.78 -0.13 2.33 4.39 -1.61 -2.13 114.58 118.38 3do9 h GLU 142 Ca 0.46 -0.54 -0.13 0.00 0.34 0.00 0.00 59.36 59.49 3do9 h GLU 142 Cb 0.85 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.57 3do9 h GLU 142 CO -0.63 1.16 -0.48 0.77 -1.16 0.00 0.00 179.01 178.67 3do9 h SER 143 N 0.52 0.37 0.15 1.42 0.02 -1.14 0.02 113.55 114.91 3do9 h SER 143 Ca -0.01 -0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 3do9 h SER 143 Cb 1.18 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.62 3do9 h SER 143 CO 0.12 0.80 -0.07 0.58 -1.14 0.00 0.00 176.83 177.12 3do9 h VAL 144 N 0.27 0.98 -0.34 2.27 2.07 -0.82 -1.92 116.25 118.77 3do9 h VAL 144 Ca 0.01 -0.67 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3do9 h VAL 144 Cb 0.95 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 3do9 h VAL 144 CO 0.08 0.16 0.18 0.15 0.02 0.00 0.00 177.57 178.15 3do9 h PHE 145 N -0.53 0.33 -0.44 1.57 3.57 -1.34 -1.83 116.94 118.27 3do9 h PHE 145 Ca -0.02 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.40 3do9 h PHE 145 Cb 0.41 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3do9 h PHE 145 CO 0.03 0.19 -0.08 1.03 -2.23 0.00 0.00 178.31 177.24 3do9 h SER 146 N 0.37 0.76 -0.27 0.41 0.87 -1.03 0.35 113.55 115.00 3do9 h SER 146 Ca 0.14 -0.22 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 3do9 h SER 146 Cb 0.03 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3do9 h SER 146 CO -0.08 0.88 0.10 0.15 -0.53 0.00 0.00 176.83 177.35 3do9 h PHE 147 N 0.71 0.41 -0.49 2.24 3.04 -1.20 -0.64 116.94 121.03 3do9 h PHE 147 Ca 0.12 -0.03 -0.07 0.00 3.98 0.00 0.00 57.97 61.97 3do9 h PHE 147 Cb 0.55 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.92 3do9 h PHE 147 CO 0.03 0.43 0.03 0.00 -2.02 0.00 0.00 178.31 176.78 3do9 h ARG 148 N 0.28 0.79 -0.33 1.11 3.08 -1.07 0.57 114.38 118.81 3do9 h ARG 148 Ca 0.09 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 3do9 h ARG 148 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3do9 h ARG 148 CO -0.01 0.77 -0.09 -0.09 -1.07 0.00 0.00 179.97 179.49 3do9 h ARG 149 N 0.74 0.64 -0.28 0.04 2.43 -0.85 -1.18 114.38 115.93 3do9 h ARG 149 Ca 0.15 -0.25 -0.09 0.00 -0.81 0.00 0.00 59.98 58.98 3do9 h ARG 149 Cb 0.41 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 3do9 h ARG 149 CO 0.01 0.82 -0.22 0.93 -1.51 0.00 0.00 179.97 180.00 3do9 h GLU 150 N 0.42 0.52 0.01 0.20 4.39 -0.88 -1.73 114.58 117.49 3do9 h GLU 150 Ca 0.08 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 3do9 h GLU 150 Cb 0.59 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3do9 h GLU 150 CO 0.03 0.70 -0.00 -0.09 -1.16 0.00 0.00 179.01 178.49 3do9 h ARG 151 N 0.46 -0.01 -0.87 2.33 2.43 -0.85 -2.28 114.38 115.60 3do9 h ARG 151 Ca 0.07 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.32 3do9 h ARG 151 Cb 0.63 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.12 3do9 h ARG 151 CO 0.04 0.52 0.53 -0.07 -1.51 0.00 0.00 179.97 179.48 3do9 h LEU 152 N -0.54 0.80 -1.21 3.80 -0.00 -1.20 -0.74 115.31 116.22 3do9 h LEU 152 Ca -0.00 0.03 -0.08 0.00 -0.00 0.00 0.00 57.88 57.83 3do9 h LEU 152 Cb 0.53 -0.13 -0.01 0.00 -0.00 0.00 0.00 40.66 41.05 3do9 h LEU 152 CO 0.00 0.48 -0.29 -0.07 -0.00 0.00 0.00 178.44 178.56 3do9 h LEU 153 N 0.92 0.17 -0.25 1.67 3.38 -1.36 -1.67 115.31 118.18 3do9 h LEU 153 Ca 0.40 -0.05 -0.16 0.00 0.09 0.00 0.00 57.88 58.15 3do9 h LEU 153 Cb 0.28 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3do9 h LEU 153 CO -0.21 0.46 -0.48 0.50 0.09 0.00 0.00 178.44 178.80 3do9 h LYS 154 N 0.15 0.76 -0.02 1.13 3.64 -0.71 -3.07 116.57 118.47 3do9 h LYS 154 Ca 0.02 -0.49 -0.12 0.00 -1.27 0.00 0.00 60.65 58.79 3do9 h LYS 154 Cb 0.60 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.46 3do9 h LYS 154 CO 0.04 1.12 -0.54 1.96 -2.27 0.00 0.00 179.45 179.76 3do9 h GLN 155 N 0.50 0.06 -0.24 1.90 4.20 -1.01 -2.30 115.11 118.22 3do9 h GLN 155 Ca 0.01 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3do9 h GLN 155 Cb 1.09 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.86 3do9 h GLN 155 CO 0.11 0.58 0.07 0.82 -0.67 0.00 0.00 178.83 179.74 3do9 h ILE 156 N 0.04 1.20 0.00 2.54 2.04 -1.35 -0.68 117.51 121.30 3do9 h ILE 156 Ca -0.00 -0.63 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 3do9 h ILE 156 Cb 0.97 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 3do9 h ILE 156 CO 0.07 0.20 -0.31 0.44 0.00 0.00 0.00 178.15 178.55 3do9 h ASP 157 N 0.22 0.00 -0.23 1.72 5.19 -1.44 0.15 116.42 122.02 3do9 h ASP 157 Ca 0.08 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 56.30 3do9 h ASP 157 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3do9 h ASP 157 CO -0.00 0.31 -0.56 -0.33 -3.12 0.00 0.00 179.24 175.54 3do9 h GLU 158 N 0.00 0.83 -0.07 3.56 5.08 -1.27 -1.65 114.58 121.05 3do9 h GLU 158 Ca -0.00 -0.53 -0.12 0.00 -1.00 0.00 0.00 59.36 57.71 3do9 h GLU 158 Cb 0.60 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 3do9 h GLU 158 CO 0.04 1.16 -0.48 0.00 -1.00 0.00 0.00 179.01 178.74 3do9 h ALA 159 N 0.72 1.06 -0.15 3.43 0.00 -0.56 -0.05 119.26 123.71 3do9 h ALA 159 Ca 0.01 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 3do9 h ALA 159 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3do9 h ALA 159 CO 0.12 0.63 -0.62 -0.07 0.00 0.00 0.00 179.25 179.31 3do9 h LEU 160 N 0.15 0.60 -0.36 0.00 3.38 -0.99 0.29 115.31 118.38 3do9 h LEU 160 Ca 0.01 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.54 3do9 h LEU 160 Cb 0.90 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3do9 h LEU 160 CO 0.07 1.08 -0.12 -0.78 0.09 0.00 0.00 178.44 178.78 3do9 h ASP 161 N 0.39 0.72 1.28 -0.43 3.58 -1.00 -3.15 116.42 117.81 3do9 h ASP 161 Ca -0.01 -0.38 -0.06 0.00 0.42 0.00 0.00 57.03 57.00 3do9 h ASP 161 Cb 1.18 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 3do9 h ASP 161 CO 0.11 0.94 -0.30 0.50 -2.88 0.00 0.00 179.24 177.61 3do9 h LYS 162 N 0.50 0.00 -4.54 0.28 3.64 -1.06 -3.48 116.57 111.91 3do9 h LYS 162 Ca 0.09 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3do9 h LYS 162 Cb 0.64 0.00 0.10 0.00 -0.41 0.00 0.00 32.23 32.56 3do9 h LYS 162 CO 0.04 0.30 -0.45 1.04 -2.27 0.00 0.00 179.45 178.11 3do9 n GLN 163 N -3.29 -1.32 -3.86 1.90 6.02 -0.63 -5.04 117.38 111.17 3do9 n GLN 163 Ca 0.01 0.65 -0.33 0.00 -0.01 0.00 0.00 57.00 57.33 3do9 n GLN 163 Cb 0.56 -4.23 -0.12 0.00 1.02 0.00 0.00 30.24 27.46 3do9 n GLN 163 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3do9 s ASP 164 N -3.14 4.80 0.28 1.08 3.68 -0.01 -4.96 116.67 118.41 3do9 s ASP 164 Ca 0.24 -2.76 0.02 0.00 2.13 0.00 0.00 52.55 52.18 3do9 s ASP 164 Cb -0.03 -1.74 0.43 0.00 -1.45 0.00 0.00 42.92 40.13 3do9 s ASP 164 CO 0.47 -0.33 1.75 0.50 0.13 0.00 0.00 175.17 177.69 3do9 h LYS 165 N 6.97 0.53 -0.75 4.34 3.64 -1.96 -0.79 116.57 128.54 3do9 h LYS 165 Ca -0.06 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 3do9 h LYS 165 Cb 0.94 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.69 3do9 h LYS 165 CO 0.68 0.69 0.38 0.93 -2.27 0.00 0.00 179.45 179.86 3do9 h GLU 166 N 0.48 1.07 -0.16 1.90 5.08 -1.97 -2.35 114.58 118.63 3do9 h GLU 166 Ca 0.08 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.11 3do9 h GLU 166 Cb 0.60 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3do9 h GLU 166 CO 0.04 0.82 -0.66 0.00 -1.00 0.00 0.00 179.01 178.22 3do9 h ALA 167 N 1.19 0.55 0.15 3.43 0.00 -1.86 -2.40 119.26 120.32 3do9 h ALA 167 Ca 0.26 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3do9 h ALA 167 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3do9 h ALA 167 CO -0.04 0.71 -0.12 0.35 0.00 0.00 0.00 179.25 180.15 3do9 h PHE 168 N 0.43 -0.32 0.00 0.00 3.04 -1.01 -0.71 116.94 118.37 3do9 h PHE 168 Ca -0.02 0.00 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 3do9 h PHE 168 Cb 1.24 0.12 -0.00 0.00 2.56 0.00 0.00 35.95 39.87 3do9 h PHE 168 CO 0.06 -0.19 -0.09 0.45 -2.02 0.00 0.00 178.31 176.52 3do9 h HIS 169 N -0.29 0.00 0.30 0.41 3.86 -1.49 -0.55 115.15 117.40 3do9 h HIS 169 Ca -0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3do9 h HIS 169 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3do9 h HIS 169 CO -0.11 0.09 -0.15 0.00 0.86 0.00 0.00 177.93 178.62 3do9 h ARG 170 N 0.00 -0.39 0.00 2.45 3.08 -1.12 -2.96 114.38 115.44 3do9 h ARG 170 Ca -0.00 0.03 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3do9 h ARG 170 Cb 0.59 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 3do9 h ARG 170 CO 0.01 -0.06 -0.55 -0.07 -1.07 0.00 0.00 179.97 178.23 3do9 h LEU 171 N -0.90 0.00 -0.30 3.04 3.38 -1.02 -0.00 115.31 119.50 3do9 h LEU 171 Ca -0.04 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3do9 h LEU 171 Cb 0.52 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3do9 h LEU 171 CO 0.07 0.55 -0.23 0.74 0.09 0.00 0.00 178.44 179.66 3do9 h THR 172 N 0.00 1.30 0.00 0.22 2.02 -1.24 -1.30 112.91 113.90 3do9 h THR 172 Ca -0.01 -1.37 -0.09 0.00 0.77 0.00 0.00 66.41 65.71 3do9 h THR 172 Cb 1.05 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 3do9 h THR 172 CO 0.07 0.44 -0.42 0.00 0.37 0.00 0.00 175.52 175.99 3do9 h ALA 173 N 0.73 1.09 -0.13 6.16 0.00 -1.34 -2.10 119.26 123.68 3do9 h ALA 173 Ca 0.06 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 3do9 h ALA 173 Cb 0.78 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3do9 h ALA 173 CO 0.06 0.52 -0.06 0.93 0.00 0.00 0.00 179.25 180.70 3do9 h GLU 174 N 0.00 0.26 -0.17 0.00 5.08 -0.90 -3.07 114.58 115.78 3do9 h GLU 174 Ca -0.00 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 3do9 h GLU 174 Cb 0.86 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3do9 h GLU 174 CO 0.05 0.60 -0.54 1.25 -1.00 0.00 0.00 179.01 179.38 3do9 h LEU 175 N -0.08 0.55 -1.05 1.33 6.46 -1.19 -1.15 115.31 120.19 3do9 h LEU 175 Ca 0.03 -0.29 0.03 0.00 -0.12 0.00 0.00 57.88 57.53 3do9 h LEU 175 Cb 0.53 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 3do9 h LEU 175 CO 0.02 0.98 0.64 0.11 -0.62 0.00 0.00 178.44 179.57 3do9 h LYS 176 N 0.38 1.20 -0.28 1.25 1.57 -1.46 0.12 116.57 119.36 3do9 h LYS 176 Ca 0.01 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.54 3do9 h LYS 176 Cb 1.07 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 33.10 3do9 h LYS 176 CO 0.10 0.80 -0.51 0.52 -0.57 0.00 0.00 179.45 179.78 3do9 h MET 177 N 1.24 0.81 -0.69 3.15 2.86 -1.41 -2.42 114.93 118.47 3do9 h MET 177 Ca 0.38 -0.49 -0.07 0.00 -2.06 0.00 0.00 59.70 57.46 3do9 h MET 177 Cb -0.02 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.66 3do9 h MET 177 CO -0.11 1.13 0.15 1.25 1.06 0.00 0.00 176.91 180.38 3do9 h LEU 178 N 0.63 1.06 0.08 1.22 7.12 -0.23 -2.86 115.31 122.33 3do9 h LEU 178 Ca 0.02 -0.23 -0.26 0.00 0.13 0.00 0.00 57.88 57.53 3do9 h LEU 178 Cb 1.10 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.96 3do9 h LEU 178 CO 0.11 1.03 -1.19 -0.33 -0.13 0.00 0.00 178.44 177.93 3do9 h GLU 179 N 1.05 0.27 -0.41 1.25 5.08 -1.11 -3.29 114.58 117.42 3do9 h GLU 179 Ca 0.21 -0.43 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 3do9 h GLU 179 Cb 0.40 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3do9 h GLU 179 CO 0.01 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.62 3do9 n GLY 180 N 1.45 0.21 0.10 -3.84 0.00 -0.91 -2.41 105.19 99.79 3do9 n GLY 180 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.97 3do9 n GLY 180 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3do9 n HIS 181 N -0.20 0.00 -1.16 1.61 8.25 -1.11 -5.01 115.22 117.61 3do9 n HIS 181 Ca 0.00 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 3do9 n HIS 181 Cb 0.10 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.15 3do9 n HIS 181 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56