#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bs2 n ASN 6 N 0.00 -0.45 0.13 0.00 5.15 -1.26 -4.76 115.26 114.07 1bs2 n ASN 6 Ca 0.00 0.18 -0.23 0.00 -0.60 0.00 0.00 54.58 53.94 1bs2 n ASN 6 Cb 0.00 0.58 -0.15 0.00 -0.53 0.00 0.00 39.78 39.68 1bs2 n ASN 6 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 1bs2 h MET 7 N 0.00 0.49 0.00 1.20 4.05 -1.91 -2.19 114.93 116.56 1bs2 h MET 7 Ca 0.00 -0.82 -0.09 0.00 -0.28 0.00 0.00 59.70 58.51 1bs2 h MET 7 Cb 0.00 0.30 -0.01 0.00 -0.80 0.00 0.00 31.60 31.09 1bs2 h MET 7 CO 0.00 1.39 -0.45 0.82 0.23 0.00 0.00 176.91 178.90 1bs2 h ILE 8 N 0.14 1.23 -0.27 1.77 1.08 -1.86 -1.73 117.51 117.89 1bs2 h ILE 8 Ca -0.22 -1.59 -0.11 0.00 -0.39 0.00 0.00 64.86 62.54 1bs2 h ILE 8 Cb 2.10 1.88 -0.00 0.00 -3.07 0.00 0.00 36.82 37.73 1bs2 h ILE 8 CO 0.26 0.44 -0.27 0.28 -0.69 0.00 0.00 178.15 178.17 1bs2 h SER 9 N 0.00 0.70 -0.71 1.72 0.02 -1.85 -2.30 113.55 111.13 1bs2 h SER 9 Ca -0.00 -0.47 0.05 0.00 -0.84 0.00 0.00 61.79 60.52 1bs2 h SER 9 Cb 0.84 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1bs2 h SER 9 CO 0.06 1.03 0.47 -0.61 -1.14 0.00 0.00 176.83 176.63 1bs2 h GLN 10 N 0.38 0.79 -0.63 3.45 5.75 -0.99 0.18 115.11 124.03 1bs2 h GLN 10 Ca 0.04 -0.05 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1bs2 h GLN 10 Cb 0.83 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.18 1bs2 h GLN 10 CO 0.07 0.52 0.26 1.25 -2.65 0.00 0.00 178.83 178.28 1bs2 h LEU 11 N 0.81 0.83 0.25 -2.39 5.85 -0.89 -0.11 115.31 119.67 1bs2 h LEU 11 Ca 0.29 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 1bs2 h LEU 11 Cb 0.14 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.95 1bs2 h LEU 11 CO -0.09 0.74 -0.12 0.11 -0.34 0.00 0.00 178.44 178.74 1bs2 h LYS 12 N 0.90 -0.32 -0.15 1.25 1.79 -0.46 0.44 116.57 120.02 1bs2 h LYS 12 Ca 0.21 0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1bs2 h LYS 12 Cb 0.16 0.07 -0.07 0.00 -1.58 0.00 0.00 32.23 30.81 1bs2 h LYS 12 CO -0.02 -0.04 -0.38 0.87 -1.08 0.00 0.00 179.45 178.80 1bs2 h LYS 13 N -0.59 -0.43 0.00 3.15 1.57 -0.94 0.28 116.57 119.62 1bs2 h LYS 13 Ca -0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bs2 h LYS 13 Cb 0.43 0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1bs2 h LYS 13 CO 0.06 -0.28 0.00 1.28 -0.57 0.00 0.00 179.45 179.93 1bs2 n LEU 14 N -5.43 0.00 -3.21 2.94 4.77 -0.08 -4.86 117.00 111.13 1bs2 n LEU 14 Ca -0.03 0.44 -0.15 0.00 -0.03 0.00 0.00 56.01 56.24 1bs2 n LEU 14 Cb 0.35 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.07 1bs2 n LEU 14 CO 0.13 -0.34 0.03 -1.20 -1.33 0.00 0.00 177.39 174.68 1bs2 n SER 15 N -1.44 -6.41 -4.04 -1.43 7.64 0.99 -5.03 113.62 103.91 1bs2 n SER 15 Ca 0.02 -0.69 -0.26 0.00 1.01 0.00 0.00 58.87 58.95 1bs2 n SER 15 Cb 0.07 -5.09 -0.17 0.00 -1.01 0.00 0.00 64.21 58.01 1bs2 n SER 15 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bs2 s ILE 16 N -3.38 1.27 0.36 0.44 1.01 0.05 -5.03 121.20 115.91 1bs2 s ILE 16 Ca 0.44 -0.54 -0.28 0.00 0.00 0.00 0.00 60.65 60.27 1bs2 s ILE 16 Cb -0.06 -1.16 -0.10 0.00 0.01 0.00 0.00 42.46 41.15 1bs2 s ILE 16 CO 0.72 0.39 1.39 0.00 0.00 0.00 0.00 174.94 177.44 1bs2 s ALA 17 N 0.77 3.50 -0.15 9.38 0.00 -1.26 -4.57 121.76 129.43 1bs2 s ALA 17 Ca -0.12 1.40 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 1bs2 s ALA 17 Cb -0.16 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.39 1bs2 s ALA 17 CO 0.02 -0.86 0.65 -2.00 0.00 0.00 0.00 175.76 173.58 1bs2 s GLU 18 N -1.99 4.30 0.89 0.00 2.12 -1.26 -5.04 118.70 117.72 1bs2 s GLU 18 Ca 0.52 0.71 -0.11 0.00 0.36 0.00 0.00 54.97 56.45 1bs2 s GLU 18 Cb -0.43 -3.53 0.13 0.00 0.26 0.00 0.00 34.13 30.57 1bs2 s GLU 18 CO 0.57 -0.12 1.15 -1.25 -0.54 0.00 0.00 175.26 175.07 1bs2 s PRO 19 N 1.50 1.19 0.27 4.30 0.04 -1.26 -4.87 135.00 136.17 1bs2 s PRO 19 Ca 0.32 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.62 1bs2 s PRO 19 Cb -0.16 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 1bs2 s PRO 19 CO 0.13 -2.51 1.31 0.00 0.04 0.00 0.00 177.00 175.97 1bs2 n ALA 20 N -4.04 0.91 -2.55 8.56 0.00 -1.26 -4.90 120.51 117.22 1bs2 n ALA 20 Ca 0.12 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.53 1bs2 n ALA 20 Cb 0.52 -2.22 -0.06 0.00 0.00 0.00 0.00 19.45 17.69 1bs2 n ALA 20 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1bs2 s VAL 21 N -0.49 4.69 0.60 0.00 1.01 -1.26 -4.75 120.40 120.20 1bs2 s VAL 21 Ca 0.64 0.45 -0.19 0.00 0.00 0.00 0.00 61.98 62.88 1bs2 s VAL 21 Cb -0.64 -4.28 -0.03 0.00 0.00 0.00 0.00 36.38 31.42 1bs2 s VAL 21 CO 0.55 -0.65 1.22 0.00 0.00 0.00 0.00 175.10 176.22 1bs2 s ALA 22 N 3.18 2.52 0.11 5.51 0.00 -1.26 -4.90 121.76 126.92 1bs2 s ALA 22 Ca 0.29 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 52.98 1bs2 s ALA 22 Cb -0.13 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.44 1bs2 s ALA 22 CO 0.21 -1.22 1.66 0.15 0.00 0.00 0.00 175.76 176.56 1bs2 s LYS 23 N -3.33 4.19 0.00 0.00 3.01 -1.26 -2.36 119.74 119.99 1bs2 s LYS 23 Ca 0.78 2.39 0.00 0.00 -1.01 0.00 0.00 55.97 58.13 1bs2 s LYS 23 Cb -0.31 -3.47 0.00 0.00 -1.01 0.00 0.00 37.83 33.04 1bs2 s LYS 23 CO 0.34 -0.72 0.00 -0.25 0.51 0.00 0.00 175.35 175.23 1bs2 n ASP 24 N 5.14 0.00 -4.85 2.83 8.00 -1.26 -5.03 116.55 121.38 1bs2 n ASP 24 Ca 0.16 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.35 1bs2 n ASP 24 Cb 0.39 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.53 1bs2 n ASP 24 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1bs2 s SER 25 N -3.36 5.76 -0.47 -2.24 1.04 -0.99 -5.01 113.70 108.43 1bs2 s SER 25 Ca 0.00 1.49 0.08 0.00 0.48 0.00 0.00 55.95 57.99 1bs2 s SER 25 Cb 0.00 -2.44 0.27 0.00 0.10 0.00 0.00 66.02 63.95 1bs2 s SER 25 CO 0.00 -1.18 0.64 1.41 0.98 0.00 0.00 173.24 175.09 1bs2 n HIS 26 N -2.95 1.15 0.17 5.02 8.25 -1.26 -4.92 115.22 120.68 1bs2 n HIS 26 Ca 0.07 -3.79 0.12 0.00 -0.26 0.00 0.00 57.72 53.85 1bs2 n HIS 26 Cb 0.54 -0.43 0.63 0.00 1.12 0.00 0.00 29.99 31.85 1bs2 n HIS 26 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1bs2 h PRO 27 N 3.85 0.00 -0.01 -0.41 0.13 -1.84 -1.60 132.00 132.13 1bs2 h PRO 27 Ca 0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.06 1bs2 h PRO 27 Cb 0.80 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 1bs2 h PRO 27 CO 0.60 0.00 -0.83 0.38 -0.23 0.00 0.00 178.00 177.92 1bs2 h ASP 28 N 0.00 0.28 0.00 1.44 2.03 -1.98 -3.36 116.42 114.83 1bs2 h ASP 28 Ca 0.00 -0.21 0.00 0.00 -0.73 0.00 0.00 57.03 56.09 1bs2 h ASP 28 Cb 0.01 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.43 1bs2 h ASP 28 CO 0.00 0.99 0.00 1.33 -1.03 0.00 0.00 179.24 180.53 1bs2 n VAL 29 N -3.70 0.22 -3.54 4.15 0.24 -0.92 -4.09 118.33 110.69 1bs2 n VAL 29 Ca -0.04 -0.61 -0.27 0.00 -2.04 0.00 0.00 64.34 61.38 1bs2 n VAL 29 Cb 0.77 0.89 -0.15 0.00 -1.47 0.00 0.00 33.84 33.89 1bs2 n VAL 29 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1bs2 s ASN 30 N -0.22 3.07 0.59 -1.34 3.84 -0.65 -4.84 114.94 115.39 1bs2 s ASN 30 Ca 0.00 -1.08 0.39 0.00 0.21 0.00 0.00 52.86 52.38 1bs2 s ASN 30 Cb 0.00 -0.22 1.98 0.00 -0.55 0.00 0.00 41.25 42.46 1bs2 s ASN 30 CO 0.00 -0.41 2.18 -0.29 -2.79 0.00 0.00 177.10 175.79 1bs2 h ILE 31 N 6.39 0.00 0.00 -5.21 2.10 -1.79 -0.38 117.51 118.63 1bs2 h ILE 31 Ca -0.18 -0.15 -0.04 0.00 1.08 0.00 0.00 64.86 65.56 1bs2 h ILE 31 Cb 1.05 1.10 -0.01 0.00 -1.09 0.00 0.00 36.82 37.87 1bs2 h ILE 31 CO 0.40 0.00 -0.20 0.58 -1.08 0.00 0.00 178.15 177.85 1bs2 h VAL 32 N 0.00 0.40 0.15 2.19 2.07 -1.93 -0.19 116.25 118.94 1bs2 h VAL 32 Ca 0.00 -1.28 -0.29 0.00 0.82 0.00 0.00 66.70 65.95 1bs2 h VAL 32 Cb 0.16 1.96 0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1bs2 h VAL 32 CO 0.00 0.20 -1.29 0.44 0.02 0.00 0.00 177.57 176.93 1bs2 h ASP 33 N 0.00 0.50 0.25 0.57 3.32 -1.37 -0.16 116.42 119.53 1bs2 h ASP 33 Ca -0.00 -0.54 -0.01 0.00 0.02 0.00 0.00 57.03 56.50 1bs2 h ASP 33 Cb 0.95 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1bs2 h ASP 33 CO 0.03 1.42 -0.12 0.25 -1.72 0.00 0.00 179.24 179.10 1bs2 h LEU 34 N 0.09 -0.28 -1.33 1.55 5.85 -1.27 0.15 115.31 120.06 1bs2 h LEU 34 Ca -0.16 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1bs2 h LEU 34 Cb 2.01 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 43.07 1bs2 h LEU 34 CO 0.22 -0.13 0.47 -0.03 -0.34 0.00 0.00 178.44 178.62 1bs2 h MET 35 N -0.42 0.85 -0.53 1.25 4.05 -1.06 -1.25 114.93 117.82 1bs2 h MET 35 Ca -0.03 -0.05 -0.11 0.00 -0.28 0.00 0.00 59.70 59.23 1bs2 h MET 35 Cb 0.32 -0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 30.91 1bs2 h MET 35 CO 0.06 0.56 -0.08 0.00 0.23 0.00 0.00 176.91 177.68 1bs2 h ARG 36 N 0.88 1.00 -0.81 0.39 3.08 -0.46 -1.86 114.38 116.59 1bs2 h ARG 36 Ca 0.28 -0.36 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 1bs2 h ARG 36 Cb 0.03 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.98 1bs2 h ARG 36 CO -0.08 1.04 0.34 -0.91 -1.07 0.00 0.00 179.97 179.29 1bs2 h ASN 37 N 0.87 1.11 -0.20 7.04 2.35 0.36 -1.42 115.58 125.70 1bs2 h ASN 37 Ca 0.14 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1bs2 h ASN 37 Cb 0.64 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.72 1bs2 h ASN 37 CO 0.04 0.97 0.03 0.22 -1.65 0.00 0.00 177.43 177.04 1bs2 h TYR 38 N 1.18 0.35 -0.37 1.19 3.20 -1.12 -2.51 116.97 118.89 1bs2 h TYR 38 Ca 0.27 -0.05 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1bs2 h TYR 38 Cb 0.20 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1bs2 h TYR 38 CO 0.02 0.49 0.08 0.82 -1.64 0.00 0.00 178.16 177.93 1bs2 h ILE 39 N 0.12 1.23 -0.04 1.81 2.04 -1.21 -2.14 117.51 119.32 1bs2 h ILE 39 Ca 0.06 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 1bs2 h ILE 39 Cb 0.33 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 1bs2 h ILE 39 CO 0.01 0.27 0.02 0.28 0.00 0.00 0.00 178.15 178.73 1bs2 h SER 40 N 0.46 0.05 -0.73 1.72 0.02 -1.28 0.51 113.55 114.30 1bs2 h SER 40 Ca 0.12 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1bs2 h SER 40 Cb 0.33 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1bs2 h SER 40 CO 0.00 0.09 0.48 -0.61 -1.14 0.00 0.00 176.83 175.66 1bs2 h GLN 41 N 0.00 0.95 0.23 3.45 4.15 -1.45 0.35 115.11 122.80 1bs2 h GLN 41 Ca 0.01 -0.06 -0.33 0.00 0.77 0.00 0.00 58.65 59.05 1bs2 h GLN 41 Cb 0.05 -0.22 0.04 0.00 0.21 0.00 0.00 27.48 27.56 1bs2 h GLN 41 CO -0.00 0.63 -1.44 0.93 -1.93 0.00 0.00 178.83 177.02 1bs2 h GLU 42 N 0.98 0.56 0.00 1.69 4.39 -1.28 -3.05 114.58 117.88 1bs2 h GLU 42 Ca 0.27 -0.91 -0.11 0.00 0.34 0.00 0.00 59.36 58.95 1bs2 h GLU 42 Cb -0.10 0.33 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1bs2 h GLU 42 CO -0.06 1.43 -0.53 1.25 -1.16 0.00 0.00 179.01 179.94 1bs2 h LEU 43 N 0.18 0.00 -0.89 1.33 5.85 0.10 -2.87 115.31 119.01 1bs2 h LEU 43 Ca -0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.45 1bs2 h LEU 43 Cb 2.12 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 43.11 1bs2 h LEU 43 CO 0.27 0.53 0.45 -1.28 -0.34 0.00 0.00 178.44 178.07 1bs2 h SER 44 N 0.00 1.12 -0.35 1.25 0.87 -0.32 -1.81 113.55 114.30 1bs2 h SER 44 Ca -0.01 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.41 1bs2 h SER 44 Cb 0.95 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 1bs2 h SER 44 CO 0.07 0.92 0.11 0.11 -0.53 0.00 0.00 176.83 177.51 1bs2 h LYS 45 N 1.24 0.55 -0.32 2.24 1.57 -1.39 -3.16 116.57 117.30 1bs2 h LYS 45 Ca 0.30 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1bs2 h LYS 45 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1bs2 h LYS 45 CO -0.04 0.57 0.11 0.82 -0.57 0.00 0.00 179.45 180.34 1bs2 h ILE 46 N 0.42 1.20 -1.56 1.86 1.08 -1.42 -3.44 117.51 115.65 1bs2 h ILE 46 Ca 0.11 -0.63 -0.48 0.00 -0.39 0.00 0.00 64.86 63.47 1bs2 h ILE 46 Cb 0.25 1.02 0.07 0.00 -3.07 0.00 0.00 36.82 35.09 1bs2 h ILE 46 CO -0.00 0.22 0.06 -0.94 -0.69 0.00 0.00 178.15 176.80 1bs2 s SER 47 N -5.81 4.42 -0.23 1.72 1.04 -0.70 -4.99 113.70 109.16 1bs2 s SER 47 Ca -0.13 -0.62 0.15 0.00 0.48 0.00 0.00 55.95 55.82 1bs2 s SER 47 Cb 0.09 0.30 0.75 0.00 0.10 0.00 0.00 66.02 67.25 1bs2 s SER 47 CO 0.74 -1.83 1.67 0.61 0.98 0.00 0.00 173.24 175.41 1bs2 n GLY 48 N -2.73 3.31 3.70 7.32 0.00 -1.26 -4.77 105.19 110.77 1bs2 n GLY 48 Ca 0.17 -0.96 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 1bs2 n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bs2 s VAL 49 N -2.81 5.21 0.50 1.61 1.01 -1.26 -5.05 120.40 119.62 1bs2 s VAL 49 Ca 0.52 0.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.06 1bs2 s VAL 49 Cb 0.40 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.97 1bs2 s VAL 49 CO 0.14 0.30 1.26 -0.62 0.00 0.00 0.00 175.10 176.18 1bs2 s ASP 50 N 0.78 5.72 0.58 3.32 2.15 -1.26 -4.31 116.67 123.64 1bs2 s ASP 50 Ca 0.21 2.53 0.36 0.00 0.43 0.00 0.00 52.55 56.08 1bs2 s ASP 50 Cb -0.15 -2.62 1.72 0.00 -0.30 0.00 0.00 42.92 41.57 1bs2 s ASP 50 CO 0.08 -1.24 2.12 0.77 -0.17 0.00 0.00 175.17 176.73 1bs2 h SER 51 N 1.75 0.00 0.19 -0.34 4.64 -1.93 -2.07 113.55 115.80 1bs2 h SER 51 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1bs2 h SER 51 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1bs2 h SER 51 CO 0.59 0.03 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 1bs2 h SER 52 N 0.00 0.00 0.12 4.97 4.64 -1.94 -0.91 113.55 120.44 1bs2 h SER 52 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 1bs2 h SER 52 Cb 0.32 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.36 1bs2 h SER 52 CO 0.00 0.00 -2.18 0.18 -0.87 0.00 0.00 176.83 173.97 1bs2 n LEU 53 N -2.95 2.00 0.01 5.97 4.77 -0.78 -4.42 117.00 121.60 1bs2 n LEU 53 Ca -0.02 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 55.92 1bs2 n LEU 53 Cb 0.11 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.55 1bs2 n LEU 53 CO 0.20 0.74 0.65 0.40 -1.33 0.00 0.00 177.39 178.05 1bs2 h ILE 54 N 0.02 1.27 -0.82 -0.08 2.04 -1.39 -2.81 117.51 115.75 1bs2 h ILE 54 Ca -0.48 -0.96 0.08 0.00 1.00 0.00 0.00 64.86 64.50 1bs2 h ILE 54 Cb 2.02 1.91 -0.11 0.00 -0.74 0.00 0.00 36.82 39.91 1bs2 h ILE 54 CO 0.02 0.24 -0.57 0.15 0.00 0.00 0.00 178.15 177.99 1bs2 h PHE 55 N -0.46 -1.82 0.00 1.37 3.04 -1.41 0.48 116.94 118.14 1bs2 h PHE 55 Ca -0.00 0.11 -0.03 0.00 3.98 0.00 0.00 57.97 62.03 1bs2 h PHE 55 Cb 0.43 0.90 -0.00 0.00 2.56 0.00 0.00 35.95 39.83 1bs2 h PHE 55 CO 0.07 -0.40 -0.16 -1.00 -2.02 0.00 0.00 178.31 174.79 1bs2 h PRO 56 N -0.12 0.00 0.00 6.41 0.13 -1.77 -2.85 132.00 133.80 1bs2 h PRO 56 Ca 0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.24 1bs2 h PRO 56 Cb 0.46 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.59 1bs2 h PRO 56 CO -0.83 0.16 -0.09 0.00 -0.23 0.00 0.00 178.00 177.02 1bs2 h ALA 57 N 1.84 0.98 -2.51 -0.56 0.00 0.17 -3.44 119.26 115.75 1bs2 h ALA 57 Ca -0.00 -0.08 -0.53 0.00 0.00 0.00 0.00 54.91 54.30 1bs2 h ALA 57 Cb 0.49 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.28 1bs2 h ALA 57 CO 0.02 0.11 0.75 -0.51 0.00 0.00 0.00 179.25 179.62 1bs2 s LEU 58 N -6.35 4.36 0.32 0.00 1.43 -0.29 -4.51 118.68 113.63 1bs2 s LEU 58 Ca 0.03 2.28 0.10 0.00 -1.03 0.00 0.00 54.13 55.51 1bs2 s LEU 58 Cb 0.08 -3.58 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 1bs2 s LEU 58 CO 0.61 -0.67 -0.11 -1.61 0.23 0.00 0.00 176.35 174.80 1bs2 s GLU 59 N 1.41 1.74 0.90 1.70 2.02 0.21 -4.90 118.70 121.78 1bs2 s GLU 59 Ca 0.65 -1.87 -0.12 0.00 0.02 0.00 0.00 54.97 53.65 1bs2 s GLU 59 Cb -0.36 -1.63 0.13 0.00 0.10 0.00 0.00 34.13 32.37 1bs2 s GLU 59 CO 0.30 0.17 1.10 -1.58 0.02 0.00 0.00 175.26 175.26 1bs2 s TRP 60 N -2.65 2.39 -0.04 1.61 0.51 -1.26 -0.34 118.94 119.15 1bs2 s TRP 60 Ca 0.31 1.13 0.01 0.00 -2.12 0.00 0.00 56.10 55.43 1bs2 s TRP 60 Cb 0.01 -3.20 -0.03 0.00 -0.81 0.00 0.00 33.47 29.44 1bs2 s TRP 60 CO 0.15 -2.38 -0.04 0.95 -0.51 0.00 0.00 176.95 175.12 1bs2 s THR 61 N -3.02 3.89 0.26 2.01 -4.23 -1.26 -4.57 115.64 108.72 1bs2 s THR 61 Ca 0.63 -0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 1bs2 s THR 61 Cb -0.17 -2.65 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1bs2 s THR 61 CO 0.56 0.52 1.76 0.78 -0.54 0.00 0.00 174.62 177.69 1bs2 h ASN 62 N 4.91 0.50 -4.37 3.99 -0.26 -1.94 -3.42 115.58 114.99 1bs2 h ASN 62 Ca -0.49 0.10 -0.30 0.00 -0.56 0.00 0.00 56.30 55.05 1bs2 h ASN 62 Cb 1.18 0.02 -0.17 0.00 -1.06 0.00 0.00 38.32 38.29 1bs2 h ASN 62 CO 0.54 0.20 -0.72 0.42 -1.06 0.00 0.00 177.43 176.81 1bs2 s THR 63 N -5.97 0.91 -0.97 2.81 -4.23 -1.26 -5.02 115.64 101.91 1bs2 s THR 63 Ca -0.12 -1.77 0.15 0.00 -1.18 0.00 0.00 61.69 58.77 1bs2 s THR 63 Cb 0.22 -1.50 0.13 0.00 1.34 0.00 0.00 72.50 72.68 1bs2 s THR 63 CO 0.78 -0.66 1.48 0.23 -0.54 0.00 0.00 174.62 175.90 1bs2 n MET 64 N 0.31 0.01 0.18 3.99 2.81 -1.26 -2.00 117.12 121.16 1bs2 n MET 64 Ca -0.14 0.26 0.13 0.00 -1.81 0.00 0.00 57.70 56.14 1bs2 n MET 64 Cb 0.59 -1.52 0.36 0.00 -0.71 0.00 0.00 33.22 31.94 1bs2 n MET 64 CO 0.00 0.00 0.00 1.49 1.51 0.00 0.00 175.97 178.97 1bs2 h GLU 65 N 0.00 0.00 -0.64 0.03 4.81 -1.96 -3.01 114.58 113.81 1bs2 h GLU 65 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bs2 h GLU 65 Cb 0.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1bs2 h GLU 65 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.82 1bs2 n ARG 66 N -2.71 3.82 0.00 1.92 1.74 -0.85 -5.06 116.66 115.53 1bs2 n ARG 66 Ca 0.04 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.20 1bs2 n ARG 66 Cb 0.43 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1bs2 n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1bs2 n GLY 67 N 1.08 -0.82 0.05 -0.13 0.00 -1.14 -4.65 105.19 99.58 1bs2 n GLY 67 Ca 0.26 -2.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.08 1bs2 n GLY 67 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bs2 n ASP 68 N 0.00 2.90 -3.71 1.61 8.00 0.11 -4.46 116.55 121.00 1bs2 n ASP 68 Ca 0.00 -0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.35 1bs2 n ASP 68 Cb 0.00 0.50 -0.09 0.00 -0.02 0.00 0.00 41.12 41.51 1bs2 n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bs2 s LEU 69 N -4.89 0.43 0.22 0.64 1.02 -1.15 -4.03 118.68 110.91 1bs2 s LEU 69 Ca -0.07 0.52 -0.02 0.00 0.02 0.00 0.00 54.13 54.58 1bs2 s LEU 69 Cb 0.03 1.53 -0.03 0.00 0.02 0.00 0.00 46.19 47.74 1bs2 s LEU 69 CO 0.34 -0.34 0.20 -1.48 0.02 0.00 0.00 176.35 175.09 1bs2 s LEU 70 N -0.61 1.11 -0.07 1.79 0.05 0.53 -0.61 118.68 120.87 1bs2 s LEU 70 Ca -0.07 -1.38 -0.01 0.00 0.05 0.00 0.00 54.13 52.72 1bs2 s LEU 70 Cb -0.04 0.61 0.03 0.00 -2.05 0.00 0.00 46.19 44.74 1bs2 s LEU 70 CO 0.03 -0.92 -0.00 -0.63 -0.55 0.00 0.00 176.35 174.28 1bs2 s ILE 71 N -4.03 0.40 -0.59 1.48 1.01 -0.77 0.65 121.20 119.36 1bs2 s ILE 71 Ca 0.37 0.09 -0.28 0.00 0.00 0.00 0.00 60.65 60.83 1bs2 s ILE 71 Cb 0.05 -0.55 0.02 0.00 0.01 0.00 0.00 42.46 42.00 1bs2 s ILE 71 CO 0.14 0.26 1.30 -2.84 0.00 0.00 0.00 174.94 173.79 1bs2 s PRO 72 N 1.87 3.39 0.28 2.79 0.02 -1.26 -2.68 135.00 139.40 1bs2 s PRO 72 Ca 0.04 0.28 -0.02 0.00 0.02 0.00 0.00 61.00 61.32 1bs2 s PRO 72 Cb -0.12 -4.08 0.61 0.00 0.02 0.00 0.00 34.50 30.93 1bs2 s PRO 72 CO -0.05 -1.84 1.62 0.82 -0.33 0.00 0.00 177.00 177.22 1bs2 h ILE 73 N 6.24 0.23 -0.70 2.83 2.04 -1.66 0.84 117.51 127.33 1bs2 h ILE 73 Ca -0.26 -0.04 0.20 0.00 1.00 0.00 0.00 64.86 65.77 1bs2 h ILE 73 Cb 1.07 0.12 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 1bs2 h ILE 73 CO 1.19 0.02 0.55 -0.65 0.00 0.00 0.00 178.15 179.26 1bs2 h PRO 74 N 0.11 0.00 0.00 2.37 0.11 -1.89 0.54 132.00 133.23 1bs2 h PRO 74 Ca 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.61 1bs2 h PRO 74 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1bs2 h PRO 74 CO -0.74 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 177.01 1bs2 h ARG 75 N 0.00 0.00 0.00 1.05 2.47 -1.22 0.26 114.38 116.94 1bs2 h ARG 75 Ca 0.33 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.05 1bs2 h ARG 75 Cb 1.43 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.75 1bs2 h ARG 75 CO -0.00 0.03 0.00 1.28 0.56 0.00 0.00 179.97 181.84 1bs2 n LEU 76 N -3.24 0.31 -3.52 3.04 4.77 0.19 -4.94 117.00 113.61 1bs2 n LEU 76 Ca -0.01 0.55 -0.16 0.00 -0.03 0.00 0.00 56.01 56.36 1bs2 n LEU 76 Cb 0.20 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.81 1bs2 n LEU 76 CO 0.25 -0.25 -0.01 0.54 -1.33 0.00 0.00 177.39 176.59 1bs2 n ARG 77 N -1.82 -1.42 -3.80 3.23 1.74 0.08 -4.96 116.66 109.71 1bs2 n ARG 77 Ca 0.04 1.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.77 1bs2 n ARG 77 Cb 0.27 -3.70 -0.12 0.00 -1.02 0.00 0.00 32.46 27.90 1bs2 n ARG 77 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1bs2 s ILE 78 N -3.03 4.49 0.22 0.55 1.01 -1.26 -5.06 121.20 118.12 1bs2 s ILE 78 Ca 0.04 -0.12 -0.32 0.00 0.00 0.00 0.00 60.65 60.25 1bs2 s ILE 78 Cb -0.01 -3.09 -0.14 0.00 0.01 0.00 0.00 42.46 39.23 1bs2 s ILE 78 CO 0.84 0.35 1.39 0.29 0.00 0.00 0.00 174.94 177.81 1bs2 n LYS 79 N 4.66 1.92 -3.82 2.79 5.02 -1.26 -3.54 118.16 123.94 1bs2 n LYS 79 Ca -0.16 0.69 -0.29 0.00 -2.02 0.00 0.00 58.31 56.53 1bs2 n LYS 79 Cb 0.52 -2.33 -0.04 0.00 -0.02 0.00 0.00 35.03 33.15 1bs2 n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bs2 n GLY 80 N 2.24 -0.44 3.54 0.72 0.00 -1.26 -4.96 105.19 105.02 1bs2 n GLY 80 Ca 0.12 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1bs2 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs2 s ALA 81 N -2.89 2.83 -0.58 4.61 0.00 -1.23 -5.08 121.76 119.42 1bs2 s ALA 81 Ca 0.55 -1.28 -0.22 0.00 0.00 0.00 0.00 51.96 51.02 1bs2 s ALA 81 Cb -0.32 -0.80 0.06 0.00 0.00 0.00 0.00 23.12 22.07 1bs2 s ALA 81 CO 0.68 0.62 0.84 1.21 0.00 0.00 0.00 175.76 179.11 1bs2 s ASN 82 N -2.13 6.23 0.26 0.00 3.04 -1.26 -4.93 114.94 116.16 1bs2 s ASN 82 Ca 0.20 -0.85 -0.03 0.00 0.04 0.00 0.00 52.86 52.22 1bs2 s ASN 82 Cb -0.11 -2.38 0.55 0.00 -1.54 0.00 0.00 41.25 37.78 1bs2 s ASN 82 CO 0.12 -1.20 1.66 1.55 -3.04 0.00 0.00 177.10 176.18 1bs2 h PRO 83 N 9.30 0.20 -0.74 0.43 0.13 -1.94 0.20 132.00 139.57 1bs2 h PRO 83 Ca -0.28 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.93 1bs2 h PRO 83 Cb 1.08 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.09 1bs2 h PRO 83 CO 1.09 0.13 0.39 0.87 -0.23 0.00 0.00 178.00 180.25 1bs2 h LYS 84 N 0.20 0.64 0.31 0.86 1.57 -1.87 -1.22 116.57 117.05 1bs2 h LYS 84 Ca 0.47 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1bs2 h LYS 84 Cb 0.87 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1bs2 h LYS 84 CO -0.61 0.42 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.11 1bs2 h ASP 85 N 0.66 -0.35 -0.43 0.86 5.19 -0.97 -2.97 116.42 118.41 1bs2 h ASP 85 Ca 0.36 -0.15 0.08 0.00 -0.62 0.00 0.00 57.03 56.71 1bs2 h ASP 85 Cb 0.36 0.09 -0.07 0.00 0.18 0.00 0.00 39.33 39.89 1bs2 h ASP 85 CO -0.26 -0.04 -0.03 -0.07 -3.12 0.00 0.00 179.24 175.72 1bs2 h LEU 86 N -0.68 -0.25 -0.30 1.55 4.07 -0.86 0.83 115.31 119.66 1bs2 h LEU 86 Ca -0.04 0.11 0.07 0.00 0.08 0.00 0.00 57.88 58.10 1bs2 h LEU 86 Cb 0.47 0.21 -0.08 0.00 1.08 0.00 0.00 40.66 42.34 1bs2 h LEU 86 CO 0.07 -0.08 -0.23 0.00 -1.08 0.00 0.00 178.44 177.12 1bs2 h ALA 87 N 1.40 -0.05 -0.56 1.53 0.00 -1.26 1.22 119.26 121.53 1bs2 h ALA 87 Ca 0.21 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1bs2 h ALA 87 Cb 0.32 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1bs2 h ALA 87 CO -0.38 -0.63 0.34 0.28 0.00 0.00 0.00 179.25 178.85 1bs2 h VAL 88 N -0.20 1.06 0.78 0.00 2.07 -1.22 0.12 116.25 118.85 1bs2 h VAL 88 Ca 0.16 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1bs2 h VAL 88 Cb 0.45 0.33 0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1bs2 h VAL 88 CO -0.42 0.12 -0.37 -0.61 0.02 0.00 0.00 177.57 176.31 1bs2 h GLN 89 N 0.67 -1.01 -0.08 1.57 4.15 0.93 -2.87 115.11 118.47 1bs2 h GLN 89 Ca 0.22 0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.74 1bs2 h GLN 89 Cb 0.02 0.23 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1bs2 h GLN 89 CO -0.10 -0.65 -0.07 -1.49 -1.93 0.00 0.00 178.83 174.59 1bs2 h TRP 90 N -1.16 -0.17 0.00 3.99 6.55 0.15 -0.65 115.95 124.66 1bs2 h TRP 90 Ca -0.11 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.74 1bs2 h TRP 90 Cb 0.82 0.09 0.00 0.00 -0.86 0.00 0.00 29.16 29.20 1bs2 h TRP 90 CO -0.01 -0.11 0.37 0.00 -1.05 0.00 0.00 178.44 177.65 1bs2 h ALA 91 N 0.99 1.33 -0.70 1.49 0.00 -1.01 -1.65 119.26 119.71 1bs2 h ALA 91 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bs2 h ALA 91 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1bs2 h ALA 91 CO -0.13 -0.33 0.00 -1.91 0.00 0.00 0.00 179.25 176.88 1bs2 n GLU 92 N -2.52 0.00 -0.24 0.00 4.07 -0.28 -4.40 120.64 117.27 1bs2 n GLU 92 Ca -0.01 0.29 -0.04 0.00 -0.06 0.00 0.00 57.16 57.34 1bs2 n GLU 92 Cb 0.40 -0.77 0.02 0.00 -0.06 0.00 0.00 31.44 31.04 1bs2 n GLU 92 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1bs2 n LYS 93 N -1.79 1.18 -3.50 5.31 5.02 -1.04 -4.85 118.16 118.49 1bs2 n LYS 93 Ca 0.00 -0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 55.49 1bs2 n LYS 93 Cb 0.00 -1.17 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 1bs2 n LYS 93 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1bs2 s PHE 94 N -0.47 3.36 -0.50 2.13 2.19 -0.64 -5.03 117.98 119.01 1bs2 s PHE 94 Ca 0.08 0.47 -0.28 0.00 0.33 0.00 0.00 56.93 57.54 1bs2 s PHE 94 Cb 0.07 -2.41 0.01 0.00 -1.31 0.00 0.00 43.02 39.37 1bs2 s PHE 94 CO 0.01 0.05 1.45 -1.25 1.83 0.00 0.00 175.22 177.31 1bs2 s PRO 95 N 1.13 3.36 0.09 10.12 0.04 -1.26 -4.87 135.00 143.61 1bs2 s PRO 95 Ca 0.15 0.66 -0.13 0.00 0.04 0.00 0.00 61.00 61.71 1bs2 s PRO 95 Cb -0.14 -4.11 -0.17 0.00 0.04 0.00 0.00 34.50 30.12 1bs2 s PRO 95 CO 0.06 -1.85 1.28 0.00 0.04 0.00 0.00 177.00 176.53 1bs2 n GLY 97 N 0.77 0.00 4.28 0.00 0.00 -1.26 -1.11 105.19 107.88 1bs2 n GLY 97 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bs2 n GLY 97 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bs2 n ASP 98 N 0.69 0.00 -0.10 1.61 9.92 -1.26 -4.71 116.55 122.70 1bs2 n ASP 98 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1bs2 n ASP 98 Cb 0.00 -0.13 -0.08 0.00 -0.64 0.00 0.00 41.12 40.27 1bs2 n ASP 98 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1bs2 n PHE 99 N -1.58 0.00 -4.16 1.24 3.01 -0.26 -4.81 117.46 110.89 1bs2 n PHE 99 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.22 1bs2 n PHE 99 Cb 0.00 -0.75 -0.06 0.00 -0.01 0.00 0.00 39.48 38.66 1bs2 n PHE 99 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1bs2 s LEU 100 N -6.72 3.58 -0.10 4.37 1.43 -0.96 -0.33 118.68 119.94 1bs2 s LEU 100 Ca -0.28 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.34 1bs2 s LEU 100 Cb 0.09 -2.16 -0.27 0.00 0.03 0.00 0.00 46.19 43.88 1bs2 s LEU 100 CO 0.40 0.03 0.56 -0.08 0.23 0.00 0.00 176.35 177.50 1bs2 h GLU 101 N 2.12 0.25 -2.33 1.70 4.81 0.38 -3.41 114.58 118.10 1bs2 h GLU 101 Ca -0.47 -0.42 0.13 0.00 -0.13 0.00 0.00 59.36 58.47 1bs2 h GLU 101 Cb 1.22 0.16 -0.12 0.00 0.63 0.00 0.00 28.75 30.64 1bs2 h GLU 101 CO 0.61 1.20 0.48 -1.59 -0.73 0.00 0.00 179.01 178.98 1bs2 s LYS 102 N -2.48 0.99 -0.06 1.92 -2.85 -1.20 -5.04 119.74 111.03 1bs2 s LYS 102 Ca -0.20 -0.45 0.02 0.00 -1.00 0.00 0.00 55.97 54.34 1bs2 s LYS 102 Cb 0.04 0.40 0.01 0.00 -2.06 0.00 0.00 37.83 36.22 1bs2 s LYS 102 CO 0.77 -0.44 -0.12 0.08 0.10 0.00 0.00 175.35 175.74 1bs2 s VAL 103 N -3.21 1.10 0.27 1.79 1.01 -1.26 -1.36 120.40 118.73 1bs2 s VAL 103 Ca 0.08 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.65 1bs2 s VAL 103 Cb -0.01 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.31 1bs2 s VAL 103 CO -0.05 0.34 -0.05 -1.61 0.00 0.00 0.00 175.10 173.74 1bs2 s GLU 104 N 0.61 1.50 -0.08 2.72 2.02 0.02 -4.80 118.70 120.69 1bs2 s GLU 104 Ca -0.13 -1.76 0.02 0.00 0.02 0.00 0.00 54.97 53.12 1bs2 s GLU 104 Cb -0.15 -1.04 -0.02 0.00 0.10 0.00 0.00 34.13 33.02 1bs2 s GLU 104 CO 0.03 0.01 -0.14 0.00 0.02 0.00 0.00 175.26 175.19 1bs2 s ALA 105 N -3.10 2.63 -0.32 5.21 0.00 -1.26 0.18 121.76 125.11 1bs2 s ALA 105 Ca 0.29 -0.94 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1bs2 s ALA 105 Cb 0.04 -1.06 0.13 0.00 0.00 0.00 0.00 23.12 22.23 1bs2 s ALA 105 CO 0.11 0.43 0.22 1.21 0.00 0.00 0.00 175.76 177.73 1bs2 s ASN 106 N -0.28 2.69 1.78 0.00 2.47 -0.38 -4.98 114.94 116.24 1bs2 s ASN 106 Ca 0.02 -1.57 0.00 0.00 0.42 0.00 0.00 52.86 51.73 1bs2 s ASN 106 Cb -0.13 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.58 1bs2 s ASN 106 CO 0.03 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 1bs2 n GLY 107 N 4.68 3.43 0.70 1.21 0.00 -1.26 -1.25 105.19 112.68 1bs2 n GLY 107 Ca 0.04 -0.10 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1bs2 n GLY 107 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bs2 n PRO 108 N 13.56 1.88 -4.19 1.61 -0.04 -1.26 -3.90 135.00 142.65 1bs2 n PRO 108 Ca 0.00 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.80 1bs2 n PRO 108 Cb 0.00 -1.32 -0.09 0.00 -0.04 0.00 0.00 33.50 32.05 1bs2 n PRO 108 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1bs2 s PHE 109 N -1.53 2.90 -0.06 0.54 0.40 -0.38 -1.56 117.98 118.28 1bs2 s PHE 109 Ca 0.27 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.59 1bs2 s PHE 109 Cb 0.14 -1.51 -0.01 0.00 0.51 0.00 0.00 43.02 42.15 1bs2 s PHE 109 CO 0.19 0.45 -0.23 -1.50 0.70 0.00 0.00 175.22 174.83 1bs2 s ILE 110 N -1.25 1.94 -0.07 0.64 2.07 -1.09 -1.24 121.20 122.20 1bs2 s ILE 110 Ca 0.23 -1.00 0.04 0.00 -1.41 0.00 0.00 60.65 58.52 1bs2 s ILE 110 Cb -0.11 -1.65 -0.02 0.00 0.13 0.00 0.00 42.46 40.81 1bs2 s ILE 110 CO 0.16 0.54 -0.20 -1.10 -1.91 0.00 0.00 174.94 172.43 1bs2 s GLN 111 N -0.06 2.69 -0.12 3.50 -0.21 0.13 -1.85 119.66 123.74 1bs2 s GLN 111 Ca -0.06 -0.82 -0.02 0.00 0.02 0.00 0.00 55.36 54.49 1bs2 s GLN 111 Cb -0.14 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.54 1bs2 s GLN 111 CO 0.04 0.41 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.52 1bs2 s PHE 112 N -0.21 3.02 -0.21 0.91 0.40 0.22 -0.80 117.98 121.30 1bs2 s PHE 112 Ca -0.01 -0.13 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1bs2 s PHE 112 Cb -0.13 -1.86 0.02 0.00 0.51 0.00 0.00 43.02 41.55 1bs2 s PHE 112 CO 0.03 0.15 -0.12 -0.06 0.70 0.00 0.00 175.22 175.92 1bs2 s PHE 113 N -0.16 2.94 0.86 0.36 0.40 -0.46 0.09 117.98 122.00 1bs2 s PHE 113 Ca 0.03 -1.49 -0.10 0.00 -0.60 0.00 0.00 56.93 54.77 1bs2 s PHE 113 Cb -0.13 -2.01 0.11 0.00 0.51 0.00 0.00 43.02 41.50 1bs2 s PHE 113 CO 0.02 -0.73 1.12 -0.06 0.70 0.00 0.00 175.22 176.27 1bs2 s PHE 114 N 1.33 2.07 -0.49 0.36 0.08 -1.26 0.81 117.98 120.88 1bs2 s PHE 114 Ca 0.03 1.65 -0.26 0.00 0.12 0.00 0.00 56.93 58.48 1bs2 s PHE 114 Cb -0.15 -3.20 0.03 0.00 -0.57 0.00 0.00 43.02 39.13 1bs2 s PHE 114 CO -0.08 -2.37 0.96 1.21 -0.10 0.00 0.00 175.22 174.85 1bs2 s ASN 115 N -3.02 6.47 0.28 1.36 3.84 0.55 -3.40 114.94 121.02 1bs2 s ASN 115 Ca 0.64 0.03 0.01 0.00 0.21 0.00 0.00 52.86 53.76 1bs2 s ASN 115 Cb -0.20 -2.46 0.56 0.00 -0.55 0.00 0.00 41.25 38.60 1bs2 s ASN 115 CO 0.57 -1.13 1.83 -0.65 -2.79 0.00 0.00 177.10 174.93 1bs2 h PRO 116 N 9.17 0.93 -0.16 0.43 0.11 -1.92 0.44 132.00 141.00 1bs2 h PRO 116 Ca -0.24 -0.06 -0.16 0.00 0.11 0.00 0.00 66.00 65.65 1bs2 h PRO 116 Cb 1.07 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1bs2 h PRO 116 CO 1.06 0.61 -0.57 1.96 -0.21 0.00 0.00 178.00 180.85 1bs2 h GLN 117 N 0.95 0.49 -0.16 1.05 1.08 -1.94 -1.20 115.11 115.38 1bs2 h GLN 117 Ca 0.50 -0.31 -0.01 0.00 -1.45 0.00 0.00 58.65 57.37 1bs2 h GLN 117 Cb 0.52 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.98 1bs2 h GLN 117 CO -0.28 0.92 0.06 0.35 -0.95 0.00 0.00 178.83 178.93 1bs2 h PHE 118 N 0.37 0.25 -0.03 2.96 3.57 -1.63 -2.30 116.94 120.13 1bs2 h PHE 118 Ca 0.00 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.51 1bs2 h PHE 118 Cb 1.10 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1bs2 h PHE 118 CO 0.04 0.33 -0.19 -0.07 -2.23 0.00 0.00 178.31 176.20 1bs2 h LEU 119 N 0.09 -0.55 -0.36 0.59 3.38 -0.81 -2.72 115.31 114.94 1bs2 h LEU 119 Ca 0.05 0.08 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1bs2 h LEU 119 Cb 0.19 0.23 -0.08 0.00 0.09 0.00 0.00 40.66 41.09 1bs2 h LEU 119 CO -0.00 -0.25 -0.25 0.00 0.09 0.00 0.00 178.44 178.03 1bs2 h ALA 120 N 0.65 -0.04 -0.63 1.53 0.00 -1.12 0.89 119.26 120.54 1bs2 h ALA 120 Ca 0.06 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.26 1bs2 h ALA 120 Cb 0.37 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 1bs2 h ALA 120 CO -0.19 -0.64 0.45 0.87 0.00 0.00 0.00 179.25 179.74 1bs2 h LYS 121 N -0.20 0.05 0.00 0.00 1.57 -1.11 -2.44 116.57 114.45 1bs2 h LYS 121 Ca 0.18 -0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.50 1bs2 h LYS 121 Cb 0.47 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 1bs2 h LYS 121 CO -0.48 0.03 -2.52 1.28 -0.57 0.00 0.00 179.45 177.20 1bs2 n LEU 122 N -4.37 1.92 0.15 2.94 4.77 -0.44 -4.51 117.00 117.46 1bs2 n LEU 122 Ca 0.12 0.33 -0.14 0.00 -0.03 0.00 0.00 56.01 56.29 1bs2 n LEU 122 Cb 0.67 -0.80 -0.08 0.00 -2.33 0.00 0.00 43.42 40.88 1bs2 n LEU 122 CO 0.37 0.56 0.76 0.58 -1.33 0.00 0.00 177.39 178.33 1bs2 h VAL 123 N -0.98 0.78 -0.38 4.08 2.07 0.79 -1.65 116.25 120.96 1bs2 h VAL 123 Ca -0.69 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.71 1bs2 h VAL 123 Cb 1.60 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 32.21 1bs2 h VAL 123 CO -0.42 0.03 0.22 0.40 0.02 0.00 0.00 177.57 177.82 1bs2 h ILE 124 N -0.39 1.13 -0.78 4.57 2.04 -1.61 -0.98 117.51 121.50 1bs2 h ILE 124 Ca -0.03 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 1bs2 h ILE 124 Cb 0.29 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.00 1bs2 h ILE 124 CO 0.05 0.13 0.44 -0.65 0.00 0.00 0.00 178.15 178.13 1bs2 h PRO 125 N 0.49 1.08 -0.58 2.37 0.11 -1.71 -2.02 132.00 131.74 1bs2 h PRO 125 Ca 0.13 -0.12 -0.06 0.00 0.11 0.00 0.00 66.00 66.06 1bs2 h PRO 125 Cb 0.02 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 30.89 1bs2 h PRO 125 CO -0.02 0.79 0.12 0.22 -0.21 0.00 0.00 178.00 178.89 1bs2 h ASP 126 N 1.08 0.91 0.12 -2.05 3.58 -1.03 -0.82 116.42 118.21 1bs2 h ASP 126 Ca 0.28 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1bs2 h ASP 126 Cb 0.02 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.83 1bs2 h ASP 126 CO -0.05 0.93 -0.06 0.40 -2.88 0.00 0.00 179.24 177.58 1bs2 h ILE 127 N 0.86 0.99 0.00 2.25 2.04 -1.01 -0.83 117.51 121.81 1bs2 h ILE 127 Ca 0.18 -0.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1bs2 h ILE 127 Cb 0.39 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1bs2 h ILE 127 CO 0.01 0.11 -0.13 -0.07 0.00 0.00 0.00 178.15 178.06 1bs2 h LEU 128 N -0.37 0.00 0.13 1.44 3.38 -1.34 0.22 115.31 118.77 1bs2 h LEU 128 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1bs2 h LEU 128 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1bs2 h LEU 128 CO 0.03 0.13 -0.06 0.74 0.09 0.00 0.00 178.44 179.36 1bs2 h THR 129 N 0.00 0.00 0.00 0.22 2.02 -0.91 -3.34 112.91 110.90 1bs2 h THR 129 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1bs2 h THR 129 Cb 0.24 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1bs2 h THR 129 CO 0.02 0.00 0.00 0.54 0.37 0.00 0.00 175.52 176.45 1bs2 n ARG 130 N -3.81 0.04 0.00 6.66 1.74 -0.34 -4.91 116.66 116.04 1bs2 n ARG 130 Ca -0.02 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1bs2 n ARG 130 Cb 0.07 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.95 1bs2 n ARG 130 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1bs2 n LYS 131 N -1.64 0.00 0.00 5.56 5.02 0.77 -0.77 118.16 127.10 1bs2 n LYS 131 Ca 0.04 0.00 0.03 0.00 -2.02 0.00 0.00 58.31 56.37 1bs2 n LYS 131 Cb 0.23 0.00 0.16 0.00 -0.02 0.00 0.00 35.03 35.41 1bs2 n LYS 131 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1bs2 n GLU 132 N 2.12 0.05 0.00 1.97 1.02 -1.26 -1.34 120.64 123.20 1bs2 n GLU 132 Ca 0.00 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.54 1bs2 n GLU 132 Cb 0.00 -1.50 0.05 0.00 -0.02 0.00 0.00 31.44 29.97 1bs2 n GLU 132 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1bs2 n ASP 133 N -1.39 2.37 -0.31 1.62 8.00 0.05 -4.69 116.55 122.21 1bs2 n ASP 133 Ca 0.03 -1.69 -0.11 0.00 0.71 0.00 0.00 54.79 53.73 1bs2 n ASP 133 Cb 0.07 0.23 -0.09 0.00 -0.02 0.00 0.00 41.12 41.30 1bs2 n ASP 133 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 1bs2 h TYR 134 N 3.29 -1.68 0.00 1.24 3.20 -1.31 0.36 116.97 122.08 1bs2 h TYR 134 Ca 0.00 0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1bs2 h TYR 134 Cb 0.80 0.83 0.00 0.00 1.54 0.00 0.00 36.73 39.90 1bs2 h TYR 134 CO 0.00 -0.37 0.00 0.41 -1.64 0.00 0.00 178.16 176.56 1bs2 n GLY 135 N -1.26 -0.78 3.71 1.82 0.00 -1.26 -4.79 105.19 102.63 1bs2 n GLY 135 Ca 0.00 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1bs2 n GLY 135 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1bs2 s SER 136 N -3.05 3.51 -0.17 1.61 0.15 0.13 -4.60 113.70 111.27 1bs2 s SER 136 Ca 0.04 2.07 -0.30 0.00 0.70 0.00 0.00 55.95 58.45 1bs2 s SER 136 Cb 0.05 -2.55 0.14 0.00 -1.71 0.00 0.00 66.02 61.95 1bs2 s SER 136 CO 0.15 -2.71 1.08 0.00 1.20 0.00 0.00 173.24 172.96 1bs2 n LYS 138 N 0.49 4.22 0.00 0.00 5.02 -1.26 -3.01 118.16 123.62 1bs2 n LYS 138 Ca -0.07 -4.64 0.00 0.00 -2.02 0.00 0.00 58.31 51.58 1bs2 n LYS 138 Cb 0.59 -2.42 0.00 0.00 -0.02 0.00 0.00 35.03 33.17 1bs2 n LYS 138 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1bs2 n LEU 139 N 0.72 0.01 -3.75 -0.35 -0.00 -1.22 -4.69 117.00 107.73 1bs2 n LEU 139 Ca 0.32 -0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 56.20 1bs2 n LEU 139 Cb 0.33 -0.01 -0.11 0.00 -0.00 0.00 0.00 43.42 43.64 1bs2 n LEU 139 CO 0.58 0.00 0.01 -0.69 -0.00 0.00 0.00 177.39 177.29 1bs2 s VAL 140 N -1.99 -0.00 -0.14 1.47 1.01 -1.25 -5.07 120.40 114.44 1bs2 s VAL 140 Ca 0.00 0.01 0.01 0.00 0.00 0.00 0.00 61.98 62.00 1bs2 s VAL 140 Cb 0.00 -0.49 0.02 0.00 0.00 0.00 0.00 36.38 35.91 1bs2 s VAL 140 CO 0.00 0.00 -0.17 -1.61 0.00 0.00 0.00 175.10 173.33 1bs2 s GLU 141 N 0.28 2.49 -1.06 2.72 0.41 -1.26 -4.72 118.70 117.57 1bs2 s GLU 141 Ca -0.01 -0.65 -0.18 0.00 -0.41 0.00 0.00 54.97 53.73 1bs2 s GLU 141 Cb -0.03 -2.15 0.00 0.00 -1.78 0.00 0.00 34.13 30.17 1bs2 s GLU 141 CO -0.01 -0.13 0.74 0.09 -0.49 0.00 0.00 175.26 175.47 1bs2 n ASN 142 N 4.43 -5.38 -4.11 -0.19 5.03 -1.26 -5.00 115.26 108.78 1bs2 n ASN 142 Ca -0.19 -0.95 -0.24 0.00 0.87 0.00 0.00 54.58 54.08 1bs2 n ASN 142 Cb 0.51 -3.10 -0.16 0.00 -1.02 0.00 0.00 39.78 36.01 1bs2 n ASN 142 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1bs2 s LYS 143 N -5.70 1.40 -0.05 3.52 3.01 -1.26 -5.07 119.74 115.59 1bs2 s LYS 143 Ca 0.36 -0.53 0.06 0.00 -1.01 0.00 0.00 55.97 54.85 1bs2 s LYS 143 Cb -0.14 -1.29 -0.01 0.00 -1.01 0.00 0.00 37.83 35.38 1bs2 s LYS 143 CO 0.87 0.26 -0.25 0.21 0.51 0.00 0.00 175.35 176.96 1bs2 s LYS 144 N -0.12 2.48 0.00 1.68 2.20 -1.26 -1.14 119.74 123.59 1bs2 s LYS 144 Ca 0.01 -0.89 0.03 0.00 -0.36 0.00 0.00 55.97 54.76 1bs2 s LYS 144 Cb -0.08 -2.12 -0.01 0.00 -1.51 0.00 0.00 37.83 34.10 1bs2 s LYS 144 CO 0.01 0.38 -0.11 0.54 -0.36 0.00 0.00 175.35 175.81 1bs2 s VAL 145 N -0.17 0.85 -0.18 4.02 0.11 -0.09 -0.47 120.40 124.46 1bs2 s VAL 145 Ca -0.03 -0.58 -0.05 0.00 -2.93 0.00 0.00 61.98 58.39 1bs2 s VAL 145 Cb -0.13 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 1bs2 s VAL 145 CO 0.03 0.15 0.01 -0.63 -3.33 0.00 0.00 175.10 171.33 1bs2 s ILE 146 N -0.42 4.14 -0.28 7.04 1.01 -0.57 -1.26 121.20 130.86 1bs2 s ILE 146 Ca 0.03 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1bs2 s ILE 146 Cb -0.05 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.63 1bs2 s ILE 146 CO -0.00 0.45 -0.07 -0.63 0.00 0.00 0.00 174.94 174.70 1bs2 s ILE 147 N 0.68 2.40 -0.25 2.92 1.01 -0.36 0.13 121.20 127.72 1bs2 s ILE 147 Ca 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 60.65 58.88 1bs2 s ILE 147 Cb -0.14 -2.44 -0.05 0.00 0.01 0.00 0.00 42.46 39.85 1bs2 s ILE 147 CO 0.02 -0.11 0.25 -0.70 0.00 0.00 0.00 174.94 174.41 1bs2 s GLU 148 N 1.12 4.04 0.18 2.79 2.12 0.57 -1.15 118.70 128.38 1bs2 s GLU 148 Ca -0.06 -0.14 -0.12 0.00 0.36 0.00 0.00 54.97 55.01 1bs2 s GLU 148 Cb -0.20 -3.60 0.00 0.00 0.26 0.00 0.00 34.13 30.60 1bs2 s GLU 148 CO -0.04 -0.09 0.38 -0.59 -0.54 0.00 0.00 175.26 174.37 1bs2 s PHE 149 N 1.50 0.22 0.00 5.30 -0.71 -0.84 -1.11 117.98 122.35 1bs2 s PHE 149 Ca 0.11 -0.58 0.00 0.00 -1.04 0.00 0.00 56.93 55.42 1bs2 s PHE 149 Cb -0.15 0.11 0.00 0.00 -1.21 0.00 0.00 43.02 41.77 1bs2 s PHE 149 CO 0.08 -0.80 0.00 0.45 -1.34 0.00 0.00 175.22 173.61 1bs2 n SER 150 N -0.27 0.00 -3.72 1.98 2.88 -1.25 -4.56 113.62 108.68 1bs2 n SER 150 Ca -0.08 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.20 1bs2 n SER 150 Cb 0.63 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 64.09 1bs2 n SER 150 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1bs2 n SER 151 N 3.37 -3.49 -4.29 -3.46 7.64 -1.26 -4.62 113.62 107.51 1bs2 n SER 151 Ca 0.00 -0.87 -0.30 0.00 1.01 0.00 0.00 58.87 58.71 1bs2 n SER 151 Cb 0.00 -1.23 0.18 0.00 -1.01 0.00 0.00 64.21 62.15 1bs2 n SER 151 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1bs2 s PRO 152 N -5.39 0.45 -0.09 1.43 0.04 -1.26 -4.53 135.00 125.65 1bs2 s PRO 152 Ca 0.16 -0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.06 1bs2 s PRO 152 Cb -0.09 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1bs2 s PRO 152 CO 0.72 -2.59 -0.02 -0.80 0.04 0.00 0.00 177.00 174.36 1bs2 s ASN 153 N -4.43 5.08 0.29 6.66 0.01 -1.26 -0.06 114.94 121.22 1bs2 s ASN 153 Ca 0.70 0.07 -0.29 0.00 -0.71 0.00 0.00 52.86 52.63 1bs2 s ASN 153 Cb -0.08 -1.47 -0.10 0.00 0.41 0.00 0.00 41.25 40.01 1bs2 s ASN 153 CO 0.53 0.34 1.15 -0.63 -1.51 0.00 0.00 177.10 176.98 1bs2 s ILE 154 N -0.66 3.29 0.00 0.60 1.01 -0.43 -2.90 121.20 122.10 1bs2 s ILE 154 Ca 0.10 1.31 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1bs2 s ILE 154 Cb -0.12 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.52 1bs2 s ILE 154 CO 0.02 0.31 0.00 0.00 0.00 0.00 0.00 174.94 175.27 1bs2 n ALA 155 N 1.09 0.00 -2.54 9.38 0.00 -1.26 -4.95 120.51 122.23 1bs2 n ALA 155 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.22 1bs2 n ALA 155 Cb 0.44 -0.32 -0.04 0.00 0.00 0.00 0.00 19.45 19.54 1bs2 n ALA 155 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1bs2 s LYS 156 N -0.10 2.75 0.26 0.00 1.02 -1.14 -4.36 119.74 118.18 1bs2 s LYS 156 Ca 0.00 -1.26 -0.31 0.00 0.02 0.00 0.00 55.97 54.42 1bs2 s LYS 156 Cb 0.00 -2.49 -0.12 0.00 -0.52 0.00 0.00 37.83 34.70 1bs2 s LYS 156 CO 0.00 0.13 1.54 -2.30 -0.92 0.00 0.00 175.35 173.80 1bs2 n PRO 157 N -1.35 2.47 -3.07 -1.68 -0.02 -1.26 -4.67 135.00 125.41 1bs2 n PRO 157 Ca -0.02 0.88 -0.45 0.00 -2.02 0.00 0.00 63.50 61.89 1bs2 n PRO 157 Cb 0.59 -2.63 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 1bs2 n PRO 157 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1bs2 s PHE 158 N 0.10 3.26 0.80 6.00 2.19 0.23 -4.68 117.98 125.88 1bs2 s PHE 158 Ca 0.67 -1.44 -0.08 0.00 0.33 0.00 0.00 56.93 56.40 1bs2 s PHE 158 Cb -0.55 -4.10 0.17 0.00 -1.31 0.00 0.00 43.02 37.23 1bs2 s PHE 158 CO 0.47 -1.32 1.10 -2.39 1.83 0.00 0.00 175.22 174.92 1bs2 n HIS 159 N 5.82 -3.51 -0.03 10.12 1.44 -1.26 -4.21 115.22 123.59 1bs2 n HIS 159 Ca 0.13 -1.36 0.15 0.00 -2.01 0.00 0.00 57.72 54.63 1bs2 n HIS 159 Cb 0.47 -0.83 0.59 0.00 0.12 0.00 0.00 29.99 30.34 1bs2 n HIS 159 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bs2 h ALA 160 N -1.23 2.23 -0.11 1.59 0.00 -1.93 -1.56 119.26 118.24 1bs2 h ALA 160 Ca -0.36 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.55 1bs2 h ALA 160 Cb 1.13 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1bs2 h ALA 160 CO 0.31 -0.37 0.05 0.78 0.00 0.00 0.00 179.25 180.02 1bs2 h GLY 161 N 0.20 0.14 0.99 0.00 0.00 -1.93 -0.15 103.07 102.33 1bs2 h GLY 161 Ca 0.25 -0.03 -0.02 0.00 0.00 0.00 0.00 47.33 47.53 1bs2 h GLY 161 CO -0.04 0.03 0.31 0.45 0.00 0.00 0.00 176.54 177.29 1bs2 h HIS 162 N 0.11 0.87 0.29 5.60 -0.00 -1.56 -1.06 115.15 119.39 1bs2 h HIS 162 Ca 0.05 -0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1bs2 h HIS 162 Cb 0.02 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 1bs2 h HIS 162 CO -0.10 0.65 -0.30 1.25 -0.00 0.00 0.00 177.93 179.43 1bs2 h LEU 163 N 0.84 -0.80 -0.46 2.43 5.85 -1.01 0.30 115.31 122.46 1bs2 h LEU 163 Ca 0.21 0.07 0.07 0.00 0.84 0.00 0.00 57.88 59.08 1bs2 h LEU 163 Cb 0.09 0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 1bs2 h LEU 163 CO -0.03 -0.42 0.09 -0.09 -0.34 0.00 0.00 178.44 177.65 1bs2 h ARG 164 N -0.62 0.22 -0.87 1.25 2.43 -0.88 0.19 114.38 116.11 1bs2 h ARG 164 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1bs2 h ARG 164 Cb 0.57 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1bs2 h ARG 164 CO -0.07 0.14 0.55 1.03 -1.51 0.00 0.00 179.97 180.12 1bs2 h SER 165 N 0.23 1.02 -0.72 -3.80 0.87 -0.87 -1.69 113.55 108.59 1bs2 h SER 165 Ca 0.22 -0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1bs2 h SER 165 Cb 0.29 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 1bs2 h SER 165 CO -0.29 0.76 0.37 0.74 -0.53 0.00 0.00 176.83 177.87 1bs2 h THR 166 N 1.19 1.23 -0.03 2.23 2.02 0.25 -1.57 112.91 118.23 1bs2 h THR 166 Ca 0.32 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1bs2 h THR 166 Cb -0.10 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 66.63 1bs2 h THR 166 CO -0.06 0.26 -0.08 0.40 0.37 0.00 0.00 175.52 176.41 1bs2 h ILE 167 N 1.00 1.46 -0.05 3.11 2.04 -0.58 -2.38 117.51 122.11 1bs2 h ILE 167 Ca 0.25 -1.48 0.02 0.00 1.00 0.00 0.00 64.86 64.64 1bs2 h ILE 167 Cb 0.09 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.52 1bs2 h ILE 167 CO -0.04 0.40 -0.05 0.40 0.00 0.00 0.00 178.15 178.87 1bs2 h ILE 168 N -0.45 0.86 -0.37 -0.67 2.04 -1.33 -2.73 117.51 114.86 1bs2 h ILE 168 Ca -0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1bs2 h ILE 168 Cb 0.69 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.59 1bs2 h ILE 168 CO 0.02 0.00 0.12 1.23 0.00 0.00 0.00 178.15 179.52 1bs2 h GLY 169 N -0.06 0.46 0.48 5.37 0.00 -1.36 0.88 103.07 108.84 1bs2 h GLY 169 Ca 0.04 -0.07 0.10 0.00 0.00 0.00 0.00 47.33 47.40 1bs2 h GLY 169 CO -0.09 0.02 0.47 -1.33 0.00 0.00 0.00 176.54 175.61 1bs2 h GLY 170 N 0.27 1.30 0.71 4.60 0.00 -1.28 -0.63 103.07 108.03 1bs2 h GLY 170 Ca 0.17 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1bs2 h GLY 170 CO -0.18 0.11 -0.11 -2.75 0.00 0.00 0.00 176.54 173.61 1bs2 h PHE 171 N 0.77 0.34 -0.93 5.60 3.57 -1.10 -2.55 116.94 122.64 1bs2 h PHE 171 Ca 0.41 -0.10 0.09 0.00 3.53 0.00 0.00 57.97 61.90 1bs2 h PHE 171 Cb 0.41 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 39.00 1bs2 h PHE 171 CO -0.06 0.68 0.60 -0.07 -2.23 0.00 0.00 178.31 177.22 1bs2 h LEU 172 N -0.10 0.86 -0.21 0.59 3.38 -0.36 0.18 115.31 119.65 1bs2 h LEU 172 Ca 0.02 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1bs2 h LEU 172 Cb 0.62 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1bs2 h LEU 172 CO 0.03 0.51 0.06 0.00 0.09 0.00 0.00 178.44 179.13 1bs2 h ALA 173 N 1.54 0.27 -0.61 1.53 0.00 -1.03 0.92 119.26 121.87 1bs2 h ALA 173 Ca 0.43 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1bs2 h ALA 173 Cb 0.37 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1bs2 h ALA 173 CO -0.19 -0.10 0.27 -0.91 0.00 0.00 0.00 179.25 178.32 1bs2 h ASN 174 N 0.16 0.83 0.17 0.00 2.35 -0.92 -2.15 115.58 116.02 1bs2 h ASN 174 Ca 0.07 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1bs2 h ASN 174 Cb 0.24 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1bs2 h ASN 174 CO -0.00 0.75 -0.08 0.25 -1.65 0.00 0.00 177.43 176.70 1bs2 h LEU 175 N 0.85 -0.19 -1.98 1.61 5.85 -0.50 -2.08 115.31 118.87 1bs2 h LEU 175 Ca 0.21 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.98 1bs2 h LEU 175 Cb 0.16 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1bs2 h LEU 175 CO -0.02 -0.10 0.22 1.88 -0.34 0.00 0.00 178.44 180.08 1bs2 h TYR 176 N -0.26 0.02 0.07 1.25 -1.99 -0.67 -2.61 116.97 112.79 1bs2 h TYR 176 Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 1bs2 h TYR 176 Cb 0.20 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 38.93 1bs2 h TYR 176 CO -0.05 0.01 -0.03 0.93 -0.00 0.00 0.00 178.16 179.01 1bs2 h GLU 177 N 0.02 -0.09 0.00 4.88 5.08 -0.89 -1.72 114.58 121.86 1bs2 h GLU 177 Ca 0.14 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1bs2 h GLU 177 Cb 0.55 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1bs2 h GLU 177 CO -0.00 0.49 0.04 1.63 -1.00 0.00 0.00 179.01 180.16 1bs2 n LYS 178 N -4.81 0.00 -0.44 2.33 4.76 -0.83 -0.08 118.16 119.09 1bs2 n LYS 178 Ca -0.08 0.44 0.08 0.00 -2.87 0.00 0.00 58.31 55.87 1bs2 n LYS 178 Cb 0.30 -1.54 0.27 0.00 -1.84 0.00 0.00 35.03 32.22 1bs2 n LYS 178 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1bs2 n LEU 179 N -1.43 3.97 0.00 -0.35 4.77 -1.00 -1.59 117.00 121.36 1bs2 n LEU 179 Ca 0.00 -2.56 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 1bs2 n LEU 179 Cb 0.04 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1bs2 n LEU 179 CO 0.00 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1bs2 n GLY 180 N 0.32 1.40 3.82 -0.72 0.00 0.89 -3.38 105.19 107.52 1bs2 n GLY 180 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1bs2 n GLY 180 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1bs2 s TRP 181 N -2.31 3.09 -0.27 1.61 0.52 -0.65 -4.74 118.94 116.19 1bs2 s TRP 181 Ca 0.00 1.44 -0.12 0.00 0.02 0.00 0.00 56.10 57.44 1bs2 s TRP 181 Cb 0.00 -2.91 -0.05 0.00 -1.15 0.00 0.00 33.47 29.37 1bs2 s TRP 181 CO 0.00 -1.20 0.26 -2.00 0.02 0.00 0.00 176.95 174.03 1bs2 s GLU 182 N -4.83 4.00 -0.16 4.98 2.12 -0.29 -4.47 118.70 120.05 1bs2 s GLU 182 Ca 0.59 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.72 1bs2 s GLU 182 Cb -0.14 -3.64 -0.02 0.00 0.26 0.00 0.00 34.13 30.58 1bs2 s GLU 182 CO 0.51 -0.17 -0.05 0.08 -0.54 0.00 0.00 175.26 175.09 1bs2 s VAL 183 N 1.75 3.77 -0.39 3.70 1.01 -1.26 -0.92 120.40 128.06 1bs2 s VAL 183 Ca 0.10 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.61 1bs2 s VAL 183 Cb -0.16 -2.65 0.07 0.00 0.00 0.00 0.00 36.38 33.64 1bs2 s VAL 183 CO 0.10 0.49 0.20 -0.63 0.00 0.00 0.00 175.10 175.25 1bs2 s ILE 184 N 0.48 3.96 -0.47 2.22 -1.09 -0.39 -5.00 121.20 120.91 1bs2 s ILE 184 Ca -0.04 -1.37 -0.24 0.00 -2.23 0.00 0.00 60.65 56.77 1bs2 s ILE 184 Cb -0.14 -3.39 0.03 0.00 -1.58 0.00 0.00 42.46 37.38 1bs2 s ILE 184 CO 0.03 -0.40 0.86 -0.13 -1.23 0.00 0.00 174.94 174.07 1bs2 s ARG 185 N 1.39 3.43 -0.08 2.79 0.52 -1.26 -1.23 118.95 124.51 1bs2 s ARG 185 Ca 0.02 -0.05 0.01 0.00 -0.52 0.00 0.00 55.73 55.19 1bs2 s ARG 185 Cb -0.22 -3.96 -0.03 0.00 0.52 0.00 0.00 34.95 31.27 1bs2 s ARG 185 CO 0.02 -1.23 -0.08 1.41 0.02 0.00 0.00 175.30 175.44 1bs2 s MET 186 N 3.58 2.84 -0.37 3.54 1.75 -0.30 -0.82 119.30 129.51 1bs2 s MET 186 Ca 0.32 -0.58 -0.02 0.00 -1.25 0.00 0.00 55.69 54.17 1bs2 s MET 186 Cb -0.12 -2.59 0.09 0.00 2.84 0.00 0.00 34.83 35.05 1bs2 s MET 186 CO 0.23 0.59 0.13 1.21 -0.65 0.00 0.00 175.02 176.53 1bs2 s ASN 187 N -0.61 5.11 -1.41 1.11 3.84 -0.53 -1.98 114.94 120.47 1bs2 s ASN 187 Ca 0.09 -1.84 -0.15 0.00 0.21 0.00 0.00 52.86 51.17 1bs2 s ASN 187 Cb -0.12 -1.78 0.05 0.00 -0.55 0.00 0.00 41.25 38.86 1bs2 s ASN 187 CO 0.02 -0.45 2.07 0.00 -2.79 0.00 0.00 177.10 175.95 1bs2 n TYR 188 N 4.56 3.88 -1.67 0.43 9.36 -1.26 -1.87 117.16 130.60 1bs2 n TYR 188 Ca -0.04 -2.94 -0.43 0.00 3.32 0.00 0.00 57.90 57.81 1bs2 n TYR 188 Cb 0.42 -2.58 -0.01 0.00 -0.63 0.00 0.00 39.34 36.54 1bs2 n TYR 188 CO 0.00 0.00 0.00 1.28 0.22 0.00 0.00 176.86 178.36 1bs2 n LEU 189 N 6.77 3.02 -4.46 2.98 4.77 -1.07 -4.65 117.00 124.36 1bs2 n LEU 189 Ca 0.51 1.20 -0.43 0.00 -0.03 0.00 0.00 56.01 57.25 1bs2 n LEU 189 Cb 0.41 -1.43 -0.03 0.00 -2.33 0.00 0.00 43.42 40.05 1bs2 n LEU 189 CO 0.86 -0.75 1.02 -0.83 -1.33 0.00 0.00 177.39 176.35 1bs2 s GLY 190 N -0.36 1.79 -0.33 -0.72 0.00 0.91 -2.19 107.32 106.41 1bs2 s GLY 190 Ca 0.57 -2.61 0.16 0.00 0.00 0.00 0.00 44.72 42.84 1bs2 s GLY 190 CO 0.61 2.10 1.03 2.09 0.00 0.00 0.00 173.10 178.93 1bs2 n ASP 191 N 6.95 2.35 -3.02 1.64 5.75 -1.26 -1.32 116.55 127.64 1bs2 n ASP 191 Ca 0.22 -2.85 -0.11 0.00 -0.01 0.00 0.00 54.79 52.05 1bs2 n ASP 191 Cb 0.49 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1bs2 n ASP 191 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 1bs2 s TRP 192 N -3.37 0.42 0.00 2.11 -0.00 -1.26 -4.48 118.94 112.35 1bs2 s TRP 192 Ca 0.33 -0.95 0.00 0.00 -0.00 0.00 0.00 56.10 55.47 1bs2 s TRP 192 Cb 0.42 0.55 0.00 0.00 -0.00 0.00 0.00 33.47 34.44 1bs2 s TRP 192 CO -0.02 -1.44 0.00 0.41 -0.00 0.00 0.00 176.95 175.90 1bs2 n GLY 193 N -0.54 2.07 0.49 5.86 0.00 -1.26 -4.63 105.19 107.17 1bs2 n GLY 193 Ca -0.05 -1.95 0.31 0.00 0.00 0.00 0.00 46.02 44.33 1bs2 n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1bs2 h LYS 194 N 0.00 0.07 -0.29 1.61 1.57 -1.97 -0.22 116.57 117.34 1bs2 h LYS 194 Ca 0.00 -0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 1bs2 h LYS 194 Cb 0.00 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1bs2 h LYS 194 CO 0.00 0.05 0.29 -0.56 -0.57 0.00 0.00 179.45 178.66 1bs2 h GLN 195 N 0.07 0.00 0.00 3.15 3.07 -1.96 -1.50 115.11 117.94 1bs2 h GLN 195 Ca 0.54 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 59.08 1bs2 h GLN 195 Cb 1.99 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.52 1bs2 h GLN 195 CO -0.06 0.00 -1.04 0.74 0.09 0.00 0.00 178.83 178.56 1bs2 h PHE 196 N 0.00 0.00 -0.34 0.06 -1.00 -1.29 -1.25 116.94 113.12 1bs2 h PHE 196 Ca 0.14 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.89 1bs2 h PHE 196 Cb 0.72 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.27 1bs2 h PHE 196 CO 0.00 0.85 0.10 0.78 -1.61 0.00 0.00 178.31 178.43 1bs2 h GLY 197 N 3.26 0.58 0.53 -1.45 0.00 -1.42 0.54 103.07 105.11 1bs2 h GLY 197 Ca -0.07 -0.35 0.05 0.00 0.00 0.00 0.00 47.33 46.97 1bs2 h GLY 197 CO 0.10 0.32 0.03 -2.00 0.00 0.00 0.00 176.54 174.99 1bs2 h LEU 198 N 0.40 -0.07 -0.41 3.11 5.85 -1.46 0.15 115.31 122.88 1bs2 h LEU 198 Ca 0.11 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.94 1bs2 h LEU 198 Cb 0.26 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1bs2 h LEU 198 CO -0.00 -0.00 0.15 0.25 -0.34 0.00 0.00 178.44 178.50 1bs2 h LEU 199 N 0.13 0.18 -0.58 2.25 5.85 -0.52 0.29 115.31 122.90 1bs2 h LEU 199 Ca 0.16 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.97 1bs2 h LEU 199 Cb 0.20 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.20 1bs2 h LEU 199 CO -0.24 0.14 0.31 0.00 -0.34 0.00 0.00 178.44 178.31 1bs2 h ALA 200 N 1.26 0.76 -0.36 1.25 0.00 0.13 0.33 119.26 122.63 1bs2 h ALA 200 Ca 0.19 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1bs2 h ALA 200 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1bs2 h ALA 200 CO -0.18 -0.02 0.01 0.28 0.00 0.00 0.00 179.25 179.33 1bs2 h VAL 201 N 0.59 1.20 -0.12 0.00 2.07 0.17 -2.31 116.25 117.86 1bs2 h VAL 201 Ca 0.26 -0.79 -0.20 0.00 0.82 0.00 0.00 66.70 66.79 1bs2 h VAL 201 Cb 0.15 0.92 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1bs2 h VAL 201 CO -0.17 0.27 -0.70 1.23 0.02 0.00 0.00 177.57 178.23 1bs2 h GLY 202 N 0.85 0.76 1.55 2.17 0.00 0.96 -2.57 103.07 106.78 1bs2 h GLY 202 Ca 0.11 -1.10 -0.02 0.00 0.00 0.00 0.00 47.33 46.32 1bs2 h GLY 202 CO 0.01 0.98 0.17 -2.75 0.00 0.00 0.00 176.54 174.95 1bs2 h PHE 203 N 0.37 0.58 0.61 5.60 3.57 -0.21 0.16 116.94 127.62 1bs2 h PHE 203 Ca -0.05 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.40 1bs2 h PHE 203 Cb 1.34 -0.18 0.01 0.00 2.79 0.00 0.00 35.95 39.90 1bs2 h PHE 203 CO 0.10 0.46 -0.29 0.93 -2.23 0.00 0.00 178.31 177.27 1bs2 h GLU 204 N 0.59 -0.78 -0.27 1.11 4.39 -1.35 1.03 114.58 119.29 1bs2 h GLU 204 Ca 0.15 0.05 -0.09 0.00 0.34 0.00 0.00 59.36 59.80 1bs2 h GLU 204 Cb 0.11 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1bs2 h GLU 204 CO -0.02 -0.49 -0.23 -0.09 -1.16 0.00 0.00 179.01 177.02 1bs2 h ARG 205 N -0.90 0.50 0.00 2.33 2.43 -1.07 -3.37 114.38 114.31 1bs2 h ARG 205 Ca -0.08 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1bs2 h ARG 205 Cb 0.65 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 1bs2 h ARG 205 CO 0.14 0.71 0.00 0.66 -1.51 0.00 0.00 179.97 179.96 1bs2 n TYR 206 N -4.13 0.00 -1.41 2.20 4.02 0.54 -5.10 117.16 113.29 1bs2 n TYR 206 Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 1bs2 n TYR 206 Cb 0.40 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.80 1bs2 n TYR 206 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1bs2 s GLY 207 N -0.37 1.87 -0.06 2.72 0.00 0.36 -4.98 107.32 106.86 1bs2 s GLY 207 Ca 0.00 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.14 1bs2 s GLY 207 CO 0.00 0.77 -0.06 0.21 0.00 0.00 0.00 173.10 174.02 1bs2 s ASN 208 N -3.00 1.45 0.42 1.64 2.47 -1.26 -4.86 114.94 111.80 1bs2 s ASN 208 Ca 0.64 -0.19 0.09 0.00 0.42 0.00 0.00 52.86 53.82 1bs2 s ASN 208 Cb -0.19 -0.60 0.91 0.00 -1.45 0.00 0.00 41.25 39.91 1bs2 s ASN 208 CO 0.51 -0.06 2.03 -0.08 -3.72 0.00 0.00 177.10 175.77 1bs2 h GLU 209 N 7.47 0.35 0.01 0.43 4.57 -1.97 -1.90 114.58 123.53 1bs2 h GLU 209 Ca -0.32 -0.04 -0.24 0.00 -1.18 0.00 0.00 59.36 57.58 1bs2 h GLU 209 Cb 1.15 -0.07 0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1bs2 h GLU 209 CO 0.43 0.30 -0.98 0.93 -1.18 0.00 0.00 179.01 178.51 1bs2 h GLU 210 N 0.36 0.48 -0.06 1.92 5.08 -2.00 -3.14 114.58 117.21 1bs2 h GLU 210 Ca 0.09 -0.52 -0.10 0.00 -1.00 0.00 0.00 59.36 57.83 1bs2 h GLU 210 Cb 0.08 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1bs2 h GLU 210 CO -0.01 1.17 -0.42 0.00 -1.00 0.00 0.00 179.01 178.75 1bs2 h ALA 211 N 0.65 1.19 -0.73 3.43 0.00 -1.89 -1.70 119.26 120.21 1bs2 h ALA 211 Ca -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1bs2 h ALA 211 Cb 1.62 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 1bs2 h ALA 211 CO 0.18 0.57 0.41 1.25 0.00 0.00 0.00 179.25 181.65 1bs2 h LEU 212 N 0.11 0.91 0.16 0.00 5.85 -1.31 -1.32 115.31 119.70 1bs2 h LEU 212 Ca 0.01 -0.09 -0.30 0.00 0.84 0.00 0.00 57.88 58.34 1bs2 h LEU 212 Cb 0.79 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.60 1bs2 h LEU 212 CO 0.06 0.73 -1.38 -0.37 -0.34 0.00 0.00 178.44 177.14 1bs2 h VAL 213 N 1.01 1.35 -0.17 1.05 -1.51 -1.48 -0.80 116.25 115.70 1bs2 h VAL 213 Ca 0.26 -2.90 -0.01 0.00 -1.23 0.00 0.00 66.70 62.82 1bs2 h VAL 213 Cb 0.02 2.92 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 1bs2 h VAL 213 CO -0.04 0.86 0.09 0.50 -1.23 0.00 0.00 177.57 177.74 1bs2 h LYS 214 N 0.09 0.25 -1.56 5.19 3.64 -1.22 -3.39 116.57 119.58 1bs2 h LYS 214 Ca -0.19 -0.04 -0.42 0.00 -1.27 0.00 0.00 60.65 58.73 1bs2 h LYS 214 Cb 2.03 -0.05 -0.29 0.00 -0.41 0.00 0.00 32.23 33.51 1bs2 h LYS 214 CO 0.21 0.28 -0.83 -3.47 -2.27 0.00 0.00 179.45 173.38 1bs2 n ASP 215 N -4.89 -1.37 -0.29 4.20 -0.08 -0.51 -5.02 116.55 108.59 1bs2 n ASP 215 Ca -0.04 -2.74 0.06 0.00 -1.51 0.00 0.00 54.79 50.55 1bs2 n ASP 215 Cb 0.09 0.34 0.20 0.00 2.34 0.00 0.00 41.12 44.09 1bs2 n ASP 215 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1bs2 h PRO 216 N 4.76 0.67 -0.15 -0.67 0.13 -1.25 -0.46 132.00 135.03 1bs2 h PRO 216 Ca 0.10 -0.04 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 1bs2 h PRO 216 Cb 0.97 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1bs2 h PRO 216 CO 0.31 0.44 -0.11 0.82 -0.23 0.00 0.00 178.00 179.23 1bs2 h ILE 217 N 0.69 1.33 0.18 -3.56 2.04 -1.91 -2.15 117.51 114.14 1bs2 h ILE 217 Ca 0.44 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 65.06 1bs2 h ILE 217 Cb 0.54 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 1bs2 h ILE 217 CO -0.32 0.36 -0.09 0.45 0.00 0.00 0.00 178.15 178.56 1bs2 h HIS 218 N -0.00 -0.23 -0.27 1.37 3.86 -1.92 -2.95 115.15 115.00 1bs2 h HIS 218 Ca 0.03 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1bs2 h HIS 218 Cb 0.62 0.07 -0.08 0.00 1.06 0.00 0.00 27.41 29.09 1bs2 h HIS 218 CO 0.08 0.19 -0.28 1.25 0.86 0.00 0.00 177.93 180.03 1bs2 h HIS 219 N -0.81 -0.75 -0.90 2.45 -0.00 -1.20 0.23 115.15 114.17 1bs2 h HIS 219 Ca -0.02 0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.46 1bs2 h HIS 219 Cb 0.52 0.37 -0.06 0.00 -0.00 0.00 0.00 27.41 28.24 1bs2 h HIS 219 CO 0.07 -0.35 0.59 -0.07 -0.00 0.00 0.00 177.93 178.17 1bs2 h LEU 220 N -0.27 0.88 0.32 0.26 3.38 -1.51 0.13 115.31 118.52 1bs2 h LEU 220 Ca 0.14 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1bs2 h LEU 220 Cb 0.50 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1bs2 h LEU 220 CO -0.43 0.56 -0.16 0.15 0.09 0.00 0.00 178.44 178.65 1bs2 h PHE 221 N 1.00 -0.40 -0.55 1.13 3.57 -0.97 0.08 116.94 120.79 1bs2 h PHE 221 Ca 0.40 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.90 1bs2 h PHE 221 Cb 0.25 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.09 1bs2 h PHE 221 CO -0.00 -0.24 0.36 -0.44 -2.23 0.00 0.00 178.31 175.77 1bs2 h ASP 222 N -0.46 0.62 -0.23 0.41 3.32 -0.27 -1.47 116.42 118.34 1bs2 h ASP 222 Ca -0.04 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1bs2 h ASP 222 Cb 0.35 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1bs2 h ASP 222 CO 0.07 0.44 0.06 0.58 -1.72 0.00 0.00 179.24 178.67 1bs2 h VAL 223 N 0.73 1.21 -0.85 -1.35 2.07 -0.35 -2.39 116.25 115.32 1bs2 h VAL 223 Ca 0.21 -0.67 0.06 0.00 0.82 0.00 0.00 66.70 67.11 1bs2 h VAL 223 Cb -0.05 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 1bs2 h VAL 223 CO -0.05 0.21 0.53 0.22 0.02 0.00 0.00 177.57 178.51 1bs2 h TYR 224 N 0.19 0.98 -0.66 1.57 3.20 -0.10 -1.01 116.97 121.16 1bs2 h TYR 224 Ca 0.07 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 1bs2 h TYR 224 Cb 0.27 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.19 1bs2 h TYR 224 CO 0.01 0.51 0.33 0.28 -1.64 0.00 0.00 178.16 177.65 1bs2 h VAL 225 N 0.98 1.22 -0.13 1.81 2.07 -1.16 -2.68 116.25 118.36 1bs2 h VAL 225 Ca 0.37 -0.59 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1bs2 h VAL 225 Cb 0.14 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.31 1bs2 h VAL 225 CO -0.16 0.25 -0.13 -0.09 0.02 0.00 0.00 177.57 177.45 1bs2 h ARG 226 N 0.91 0.32 0.00 1.57 2.43 -0.86 -2.99 114.38 115.75 1bs2 h ARG 226 Ca 0.23 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1bs2 h ARG 226 Cb 0.09 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1bs2 h ARG 226 CO -0.03 0.72 -0.01 0.97 -1.51 0.00 0.00 179.97 180.10 1bs2 h ILE 227 N -0.06 0.13 0.04 1.20 6.09 -1.17 -2.16 117.51 121.59 1bs2 h ILE 227 Ca 0.02 -0.12 -0.20 0.00 -1.37 0.00 0.00 64.86 63.19 1bs2 h ILE 227 Cb 0.66 1.10 0.02 0.00 0.47 0.00 0.00 36.82 39.07 1bs2 h ILE 227 CO 0.03 0.01 -0.80 0.78 -3.07 0.00 0.00 178.15 175.10 1bs2 h ASN 228 N 0.00 0.63 -0.01 2.19 2.35 -1.34 -3.07 115.58 116.33 1bs2 h ASN 228 Ca -0.00 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 54.95 1bs2 h ASN 228 Cb 0.10 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.28 1bs2 h ASN 228 CO 0.00 1.36 0.02 0.07 -1.65 0.00 0.00 177.43 177.23 1bs2 h LYS 229 N -0.02 0.00 0.00 0.81 5.09 -1.25 -0.01 116.57 121.18 1bs2 h LYS 229 Ca -0.11 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 60.56 1bs2 h LYS 229 Cb 1.52 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.86 1bs2 h LYS 229 CO 0.16 0.00 -0.25 -0.44 -2.09 0.00 0.00 179.45 176.83 1bs2 h ASP 230 N 0.00 0.22 -0.78 7.07 3.32 -1.53 -2.44 116.42 122.28 1bs2 h ASP 230 Ca 0.00 -0.78 0.22 0.00 0.02 0.00 0.00 57.03 56.49 1bs2 h ASP 230 Cb 0.04 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1bs2 h ASP 230 CO -0.00 0.97 0.56 0.40 -1.72 0.00 0.00 179.24 179.46 1bs2 h ILE 231 N -0.51 0.61 0.00 0.35 2.04 -0.92 -1.77 117.51 117.31 1bs2 h ILE 231 Ca -0.03 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1bs2 h ILE 231 Cb 1.01 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1bs2 h ILE 231 CO 0.05 0.00 -0.35 -0.33 0.00 0.00 0.00 178.15 177.53 1bs2 h GLU 232 N 0.02 0.00 0.00 2.37 4.39 -1.43 -3.30 114.58 116.63 1bs2 h GLU 232 Ca 0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.07 1bs2 h GLU 232 Cb 1.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.12 1bs2 h GLU 232 CO -0.01 0.94 0.14 -1.91 -1.16 0.00 0.00 179.01 177.01 1bs2 n GLU 233 N -4.57 0.12 0.00 2.33 2.13 -0.82 -4.41 120.64 115.42 1bs2 n GLU 233 Ca -0.15 0.61 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1bs2 n GLU 233 Cb 0.51 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.19 1bs2 n GLU 233 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1bs2 n GLU 234 N -2.16 0.32 0.00 5.31 1.02 -0.73 -4.87 120.64 119.53 1bs2 n GLU 234 Ca -0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1bs2 n GLU 234 Cb 0.17 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.59 1bs2 n GLU 234 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bs2 n GLY 235 N 5.00 1.21 0.00 0.62 0.00 -1.25 -4.90 105.19 105.87 1bs2 n GLY 235 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1bs2 n GLY 235 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bs2 n ASP 236 N 1.52 0.00 -3.47 1.61 8.00 -1.26 -4.71 116.55 118.24 1bs2 n ASP 236 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 1bs2 n ASP 236 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1bs2 n ASP 236 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1bs2 n SER 237 N 0.00 4.99 -3.96 -2.24 7.64 -1.26 -4.81 113.62 113.97 1bs2 n SER 237 Ca 0.00 -2.61 -0.27 0.00 1.01 0.00 0.00 58.87 57.01 1bs2 n SER 237 Cb 0.00 -1.36 -0.17 0.00 -1.01 0.00 0.00 64.21 61.67 1bs2 n SER 237 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 1bs2 s ILE 238 N 3.44 1.16 -0.66 0.44 1.10 -1.26 -5.06 121.20 120.35 1bs2 s ILE 238 Ca 0.53 -0.41 -0.33 0.00 -0.51 0.00 0.00 60.65 59.93 1bs2 s ILE 238 Cb 0.14 -1.12 -0.18 0.00 0.15 0.00 0.00 42.46 41.45 1bs2 s ILE 238 CO -0.02 0.38 2.13 -2.65 -2.11 0.00 0.00 174.94 172.67 1bs2 n PRO 239 N 4.53 0.00 -0.10 3.50 -0.02 -1.26 -4.67 135.00 136.98 1bs2 n PRO 239 Ca -0.17 0.00 -0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1bs2 n PRO 239 Cb 0.51 -1.32 -0.00 0.00 -0.02 0.00 0.00 33.50 32.66 1bs2 n PRO 239 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1bs2 n LEU 240 N 7.92 0.96 0.00 2.45 4.77 -1.26 -1.34 117.00 130.50 1bs2 n LEU 240 Ca 0.53 -0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1bs2 n LEU 240 Cb -0.00 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 1bs2 n LEU 240 CO 0.80 0.14 0.00 -0.62 -1.33 0.00 0.00 177.39 176.38 1bs2 n GLU 241 N 2.05 0.00 -0.05 3.23 1.02 -1.26 -4.71 120.64 120.92 1bs2 n GLU 241 Ca 0.01 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.27 1bs2 n GLU 241 Cb 0.10 -0.41 0.34 0.00 -0.02 0.00 0.00 31.44 31.45 1bs2 n GLU 241 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bs2 n GLN 242 N -1.27 1.96 -1.65 3.49 1.13 -0.45 -4.12 117.38 116.47 1bs2 n GLN 242 Ca 0.00 -1.42 -0.30 0.00 -1.94 0.00 0.00 57.00 53.35 1bs2 n GLN 242 Cb 0.00 -1.46 0.08 0.00 0.11 0.00 0.00 30.24 28.98 1bs2 n GLN 242 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1bs2 s SER 243 N -1.81 4.66 -0.01 1.08 1.04 -0.76 -4.91 113.70 112.98 1bs2 s SER 243 Ca 0.34 1.21 -0.25 0.00 0.48 0.00 0.00 55.95 57.74 1bs2 s SER 243 Cb 0.20 -1.94 -0.19 0.00 0.10 0.00 0.00 66.02 64.20 1bs2 s SER 243 CO 0.30 -1.85 1.25 0.74 0.98 0.00 0.00 173.24 174.66 1bs2 h THR 244 N -1.01 1.14 -0.90 2.02 2.02 -1.91 -2.48 112.91 111.78 1bs2 h THR 244 Ca -0.47 -0.93 0.19 0.00 0.77 0.00 0.00 66.41 65.97 1bs2 h THR 244 Cb 1.27 1.72 -0.07 0.00 -1.74 0.00 0.00 68.15 69.34 1bs2 h THR 244 CO 0.61 0.22 0.59 -1.13 0.37 0.00 0.00 175.52 176.18 1bs2 h ASN 245 N -0.56 0.48 0.88 4.18 -0.00 -1.94 -1.41 115.58 117.22 1bs2 h ASN 245 Ca -0.01 0.05 -0.04 0.00 -0.00 0.00 0.00 56.30 56.29 1bs2 h ASN 245 Cb 0.46 -0.04 0.01 0.00 -0.00 0.00 0.00 38.32 38.74 1bs2 h ASN 245 CO 0.02 0.20 -0.42 1.23 -0.00 0.00 0.00 177.43 178.46 1bs2 h GLY 246 N 0.48 -1.24 1.77 1.57 0.00 -1.78 -1.61 103.07 102.26 1bs2 h GLY 246 Ca 0.47 0.46 0.02 0.00 0.00 0.00 0.00 47.33 48.28 1bs2 h GLY 246 CO -0.20 -0.45 0.10 0.50 0.00 0.00 0.00 176.54 176.49 1bs2 h LYS 247 N -1.20 0.00 0.52 4.80 1.57 -0.99 0.04 116.57 121.30 1bs2 h LYS 247 Ca -0.12 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 1bs2 h LYS 247 Cb 0.91 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.22 1bs2 h LYS 247 CO 0.20 0.00 -0.25 0.00 -0.57 0.00 0.00 179.45 178.83 1bs2 h ALA 248 N 1.87 -0.70 -0.07 3.86 0.00 -0.98 0.67 119.26 123.92 1bs2 h ALA 248 Ca 0.03 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bs2 h ALA 248 Cb 0.22 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1bs2 h ALA 248 CO -0.00 -0.66 0.06 -0.09 0.00 0.00 0.00 179.25 178.56 1bs2 h ARG 249 N -1.16 0.00 0.06 0.00 2.43 -0.78 0.12 114.38 115.05 1bs2 h ARG 249 Ca -0.07 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1bs2 h ARG 249 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1bs2 h ARG 249 CO 0.12 0.00 -0.03 1.49 -1.51 0.00 0.00 179.97 180.04 1bs2 h GLU 250 N 0.00 -0.08 0.00 0.20 4.57 -0.93 -3.09 114.58 115.25 1bs2 h GLU 250 Ca 0.04 0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1bs2 h GLU 250 Cb 0.15 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1bs2 h GLU 250 CO -0.00 0.52 -0.05 -0.92 -1.18 0.00 0.00 179.01 177.38 1bs2 h TYR 251 N -0.84 0.00 0.00 0.92 5.03 0.91 0.11 116.97 123.10 1bs2 h TYR 251 Ca -0.01 0.00 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 1bs2 h TYR 251 Cb 0.64 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1bs2 h TYR 251 CO 0.15 0.05 -0.30 0.35 -1.32 0.00 0.00 178.16 177.09 1bs2 h PHE 252 N 0.00 0.00 -0.15 -3.82 3.57 -0.79 -3.37 116.94 112.39 1bs2 h PHE 252 Ca -0.00 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.33 1bs2 h PHE 252 Cb 0.10 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.85 1bs2 h PHE 252 CO 0.00 0.30 0.48 1.63 -2.23 0.00 0.00 178.31 178.49 1bs2 n LYS 253 N -3.82 0.45 0.00 1.11 5.02 0.40 -2.74 118.16 118.57 1bs2 n LYS 253 Ca -0.01 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 1bs2 n LYS 253 Cb 0.38 -3.70 0.00 0.00 -0.02 0.00 0.00 35.03 31.70 1bs2 n LYS 253 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 1bs2 n ARG 254 N 8.11 0.00 -0.01 1.97 1.85 -1.26 -4.65 116.66 122.67 1bs2 n ARG 254 Ca 0.43 -0.02 -0.14 0.00 -1.00 0.00 0.00 57.85 57.12 1bs2 n ARG 254 Cb 0.46 -0.13 -0.14 0.00 -1.05 0.00 0.00 32.46 31.60 1bs2 n ARG 254 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1bs2 n MET 255 N 0.00 0.68 -0.02 2.89 0.00 -1.11 -4.13 117.12 115.44 1bs2 n MET 255 Ca 0.00 0.29 -0.17 0.00 0.00 0.00 0.00 57.70 57.82 1bs2 n MET 255 Cb 0.29 -1.76 -0.14 0.00 0.00 0.00 0.00 33.22 31.61 1bs2 n MET 255 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1bs2 h GLU 256 N 0.03 0.13 0.00 3.17 3.07 -1.87 -3.47 114.58 115.65 1bs2 h GLU 256 Ca -0.34 -0.23 -0.38 0.00 -0.50 0.00 0.00 59.36 57.91 1bs2 h GLU 256 Cb 2.02 0.08 0.03 0.00 -0.84 0.00 0.00 28.75 30.04 1bs2 h GLU 256 CO 0.08 1.11 -0.04 -0.25 -1.40 0.00 0.00 179.01 178.51 1bs2 n ASP 257 N -4.37 1.64 0.00 1.42 9.92 -1.26 -5.14 116.55 118.76 1bs2 n ASP 257 Ca -0.13 -2.20 0.00 0.00 -0.53 0.00 0.00 54.79 51.92 1bs2 n ASP 257 Cb 0.65 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.78 1bs2 n ASP 257 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1bs2 n GLY 258 N -0.66 3.36 0.00 0.44 0.00 -1.26 -4.49 105.19 102.57 1bs2 n GLY 258 Ca 0.13 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.29 1bs2 n GLY 258 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1bs2 n ASP 259 N 0.00 0.00 -1.89 1.61 -0.08 -1.26 -4.64 116.55 110.28 1bs2 n ASP 259 Ca 0.00 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.20 1bs2 n ASP 259 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 1bs2 n ASP 259 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1bs2 n GLU 260 N 0.00 -1.89 0.00 -0.67 1.02 -1.26 0.42 120.64 118.26 1bs2 n GLU 260 Ca 0.00 0.43 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1bs2 n GLU 260 Cb 0.00 -4.80 0.00 0.00 -0.02 0.00 0.00 31.44 26.62 1bs2 n GLU 260 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bs2 n GLU 261 N -2.16 0.00 -0.17 3.49 -0.58 -1.26 -4.66 120.64 115.30 1bs2 n GLU 261 Ca -0.09 0.00 0.29 0.00 -0.42 0.00 0.00 57.16 56.94 1bs2 n GLU 261 Cb 0.43 -1.44 0.63 0.00 -0.57 0.00 0.00 31.44 30.49 1bs2 n GLU 261 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1bs2 h ALA 262 N 0.00 2.79 0.00 0.62 0.00 -0.30 0.41 119.26 122.78 1bs2 h ALA 262 Ca 0.00 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.55 1bs2 h ALA 262 Cb 0.00 0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 1bs2 h ALA 262 CO 0.00 -1.39 -2.22 1.28 0.00 0.00 0.00 179.25 176.92 1bs2 n LEU 263 N -3.62 1.51 -0.29 0.00 4.77 -0.77 -4.05 117.00 114.55 1bs2 n LEU 263 Ca 0.20 -0.06 0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1bs2 n LEU 263 Cb 1.22 -0.18 0.23 0.00 -2.33 0.00 0.00 43.42 42.36 1bs2 n LEU 263 CO 0.30 0.65 1.06 0.50 -1.33 0.00 0.00 177.39 178.57 1bs2 h LYS 264 N 0.00 0.49 -0.20 3.23 3.64 -1.17 0.85 116.57 123.41 1bs2 h LYS 264 Ca -0.48 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 58.72 1bs2 h LYS 264 Cb 1.91 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.62 1bs2 h LYS 264 CO -0.03 0.33 -0.45 0.97 -2.27 0.00 0.00 179.45 178.00 1bs2 h ILE 265 N 0.51 1.32 -0.15 2.00 2.10 -1.66 -3.10 117.51 118.54 1bs2 h ILE 265 Ca 0.47 -1.69 -0.04 0.00 1.08 0.00 0.00 64.86 64.68 1bs2 h ILE 265 Cb 0.74 1.88 -0.00 0.00 -1.09 0.00 0.00 36.82 38.35 1bs2 h ILE 265 CO -0.42 0.53 -0.07 -0.25 -1.08 0.00 0.00 178.15 176.86 1bs2 h TRP 266 N 0.35 0.36 0.00 2.19 7.01 -1.38 -2.44 115.95 122.03 1bs2 h TRP 266 Ca -0.00 -0.09 0.00 0.00 2.11 0.00 0.00 58.89 60.91 1bs2 h TRP 266 Cb 1.06 -0.08 0.00 0.00 -2.10 0.00 0.00 29.16 28.04 1bs2 h TRP 266 CO 0.09 0.63 0.12 0.87 -2.79 0.00 0.00 178.44 177.36 1bs2 h LYS 267 N -0.02 0.00 0.05 2.65 1.57 0.59 0.88 116.57 122.30 1bs2 h LYS 267 Ca 0.03 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.50 1bs2 h LYS 267 Cb 0.54 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1bs2 h LYS 267 CO 0.02 0.00 -1.71 0.00 -0.57 0.00 0.00 179.45 177.19 1bs2 h ARG 268 N 0.00 0.11 0.20 3.15 3.08 -1.40 -1.93 114.38 117.59 1bs2 h ARG 268 Ca 0.00 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1bs2 h ARG 268 Cb 0.23 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 1bs2 h ARG 268 CO 0.00 0.82 -0.12 0.74 -1.07 0.00 0.00 179.97 180.34 1bs2 h PHE 269 N 0.03 -0.31 0.97 3.04 0.04 -0.41 0.15 116.94 120.45 1bs2 h PHE 269 Ca -0.30 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.42 1bs2 h PHE 269 Cb 2.01 0.11 0.01 0.00 2.20 0.00 0.00 35.95 40.28 1bs2 h PHE 269 CO 0.03 -0.19 -0.48 -0.09 -0.60 0.00 0.00 178.31 176.98 1bs2 h ARG 270 N -0.31 -1.27 -0.68 1.51 2.43 -1.34 -1.49 114.38 113.23 1bs2 h ARG 270 Ca -0.02 0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1bs2 h ARG 270 Cb 0.26 0.29 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1bs2 h ARG 270 CO 0.02 -0.85 0.44 1.05 -1.51 0.00 0.00 179.97 179.13 1bs2 h GLU 271 N -1.32 0.90 -0.23 0.20 4.11 -1.34 0.82 114.58 117.71 1bs2 h GLU 271 Ca -0.13 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.17 1bs2 h GLU 271 Cb 1.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1bs2 h GLU 271 CO 0.21 0.60 -0.17 0.74 0.07 0.00 0.00 179.01 180.47 1bs2 h PHE 272 N 0.92 0.43 0.36 2.06 -1.00 -1.00 -1.45 116.94 117.26 1bs2 h PHE 272 Ca 0.25 -0.07 -0.02 0.00 2.81 0.00 0.00 57.97 60.94 1bs2 h PHE 272 Cb -0.09 -0.12 0.00 0.00 3.61 0.00 0.00 35.95 39.35 1bs2 h PHE 272 CO -0.02 0.55 -0.17 0.77 -1.61 0.00 0.00 178.31 177.83 1bs2 h SER 273 N 0.37 -0.41 -0.87 2.17 0.02 -0.47 -2.81 113.55 111.55 1bs2 h SER 273 Ca 0.07 -0.11 0.15 0.00 -0.84 0.00 0.00 61.79 61.06 1bs2 h SER 273 Cb 0.51 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.09 1bs2 h SER 273 CO 0.03 -0.12 0.56 0.40 -1.14 0.00 0.00 176.83 176.57 1bs2 h ILE 274 N -0.71 0.81 -0.14 3.27 2.04 -0.67 -0.38 117.51 121.74 1bs2 h ILE 274 Ca -0.05 -0.21 -0.07 0.00 1.00 0.00 0.00 64.86 65.53 1bs2 h ILE 274 Cb 0.49 0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 1bs2 h ILE 274 CO 0.08 0.11 -0.24 -0.33 0.00 0.00 0.00 178.15 177.77 1bs2 h GLU 275 N 0.61 0.24 0.01 2.37 5.08 -1.13 -1.86 114.58 119.91 1bs2 h GLU 275 Ca 0.44 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 1bs2 h GLU 275 Cb 0.79 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1bs2 h GLU 275 CO -0.19 0.48 -0.01 -0.22 -1.00 0.00 0.00 179.01 178.07 1bs2 h LYS 276 N 0.22 -0.02 -0.75 2.33 1.63 -0.87 -3.32 116.57 115.79 1bs2 h LYS 276 Ca 0.04 0.00 0.17 0.00 -0.85 0.00 0.00 60.65 60.00 1bs2 h LYS 276 Cb 0.55 0.00 -0.11 0.00 -0.60 0.00 0.00 32.23 32.07 1bs2 h LYS 276 CO 0.04 0.77 0.19 1.88 -3.45 0.00 0.00 179.45 178.88 1bs2 h TYR 277 N -0.88 0.29 -0.90 1.91 0.05 -1.10 -1.51 116.97 114.84 1bs2 h TYR 277 Ca -0.00 0.04 0.21 0.00 0.05 0.00 0.00 58.73 59.03 1bs2 h TYR 277 Cb 0.80 -0.01 -0.12 0.00 1.01 0.00 0.00 36.73 38.41 1bs2 h TYR 277 CO 0.21 -0.09 0.42 0.82 -1.05 0.00 0.00 178.16 178.46 1bs2 h ILE 278 N 0.27 0.53 -0.23 -2.88 2.04 -1.44 0.39 117.51 116.18 1bs2 h ILE 278 Ca 0.43 -0.16 -0.11 0.00 1.00 0.00 0.00 64.86 66.02 1bs2 h ILE 278 Cb 0.75 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1bs2 h ILE 278 CO -0.52 0.08 -0.29 0.44 0.00 0.00 0.00 178.15 177.86 1bs2 h ASP 279 N 0.46 0.65 -0.01 1.72 3.32 -1.40 -2.58 116.42 118.58 1bs2 h ASP 279 Ca 0.55 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1bs2 h ASP 279 Cb 1.00 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 1bs2 h ASP 279 CO -0.49 1.02 0.00 0.74 -1.72 0.00 0.00 179.24 178.79 1bs2 h THR 280 N 0.30 1.02 -0.07 0.35 2.02 -0.74 -2.11 112.91 113.69 1bs2 h THR 280 Ca 0.03 -0.07 0.02 0.00 0.77 0.00 0.00 66.41 67.16 1bs2 h THR 280 Cb 0.86 1.06 -0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1bs2 h THR 280 CO 0.07 0.02 0.05 1.88 0.37 0.00 0.00 175.52 177.91 1bs2 h TYR 281 N -0.02 0.02 -0.08 3.16 0.05 -0.38 -0.42 116.97 119.29 1bs2 h TYR 281 Ca 0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.81 1bs2 h TYR 281 Cb 0.03 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 37.76 1bs2 h TYR 281 CO -0.07 0.01 0.07 0.00 -1.05 0.00 0.00 178.16 177.12 1bs2 h ALA 282 N 1.96 1.91 0.00 3.88 0.00 -0.96 0.20 119.26 126.26 1bs2 h ALA 282 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1bs2 h ALA 282 Cb 0.11 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bs2 h ALA 282 CO -0.00 -0.11 -0.17 0.00 0.00 0.00 0.00 179.25 178.96 1bs2 h ARG 283 N 0.00 0.00 -0.58 0.00 3.08 -1.03 -1.77 114.38 114.09 1bs2 h ARG 283 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1bs2 h ARG 283 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1bs2 h ARG 283 CO -0.00 0.17 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 1bs2 n LEU 284 N -3.37 5.00 -3.82 3.04 4.77 0.63 -4.93 117.00 118.31 1bs2 n LEU 284 Ca -0.00 -2.67 -0.26 0.00 -0.03 0.00 0.00 56.01 53.05 1bs2 n LEU 284 Cb 0.38 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1bs2 n LEU 284 CO 0.32 0.73 -0.02 0.59 -1.33 0.00 0.00 177.39 177.68 1bs2 n ASN 285 N 0.76 -2.54 -4.07 -1.43 3.02 -0.66 -4.88 115.26 105.45 1bs2 n ASN 285 Ca 0.26 -0.83 -0.26 0.00 -0.03 0.00 0.00 54.58 53.72 1bs2 n ASN 285 Cb 0.99 -3.85 -0.17 0.00 -0.61 0.00 0.00 39.78 36.14 1bs2 n ASN 285 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1bs2 s ILE 286 N -3.55 1.36 -0.25 2.41 1.01 -0.69 -5.00 121.20 116.49 1bs2 s ILE 286 Ca 0.28 -0.61 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 1bs2 s ILE 286 Cb -0.14 -1.21 0.08 0.00 0.01 0.00 0.00 42.46 41.19 1bs2 s ILE 286 CO 0.83 0.40 0.06 -0.75 0.00 0.00 0.00 174.94 175.48 1bs2 s LYS 287 N 0.58 0.71 0.50 2.79 2.20 -1.26 -3.35 119.74 121.91 1bs2 s LYS 287 Ca -0.15 -0.70 -0.21 0.00 -0.36 0.00 0.00 55.97 54.54 1bs2 s LYS 287 Cb -0.16 -2.03 -0.07 0.00 -1.51 0.00 0.00 37.83 34.06 1bs2 s LYS 287 CO 0.05 -0.79 1.12 0.71 -0.36 0.00 0.00 175.35 176.08 1bs2 s TYR 288 N 1.76 2.82 -0.15 4.03 1.51 -1.26 -4.90 117.35 121.15 1bs2 s TYR 288 Ca 0.03 1.55 -0.20 0.00 -1.01 0.00 0.00 57.07 57.45 1bs2 s TYR 288 Cb -0.17 -3.28 -0.24 0.00 -0.11 0.00 0.00 41.96 38.16 1bs2 s TYR 288 CO -0.16 -1.40 0.47 -0.44 -1.11 0.00 0.00 175.55 172.91 1bs2 h ASP 289 N 1.60 0.19 -3.24 2.29 3.32 -1.36 -3.46 116.42 115.75 1bs2 h ASP 289 Ca -0.50 -0.76 -0.55 0.00 0.02 0.00 0.00 57.03 55.25 1bs2 h ASP 289 Cb 1.25 -0.06 -0.36 0.00 0.22 0.00 0.00 39.33 40.38 1bs2 h ASP 289 CO 0.59 1.48 -0.82 -0.69 -1.72 0.00 0.00 179.24 178.08 1bs2 s VAL 290 N -2.40 1.22 -1.16 -1.35 1.01 -1.11 -5.04 120.40 111.57 1bs2 s VAL 290 Ca -0.23 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 1bs2 s VAL 290 Cb 0.04 -1.17 0.24 0.00 0.00 0.00 0.00 36.38 35.49 1bs2 s VAL 290 CO 0.69 0.39 1.46 -1.22 0.00 0.00 0.00 175.10 176.43 1bs2 n TYR 291 N 4.52 3.83 -0.02 5.22 4.02 -1.26 -1.45 117.16 132.02 1bs2 n TYR 291 Ca -0.17 -3.16 0.00 0.00 -0.01 0.00 0.00 57.90 54.56 1bs2 n TYR 291 Cb 0.51 -1.74 0.00 0.00 -0.02 0.00 0.00 39.34 38.09 1bs2 n TYR 291 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1bs2 n SER 292 N 3.20 -0.03 0.00 7.72 2.88 -0.78 -4.87 113.62 121.74 1bs2 n SER 292 Ca 0.31 -0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.82 1bs2 n SER 292 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1bs2 n SER 292 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1bs2 n GLY 293 N 3.04 -0.05 0.19 0.46 0.00 -1.26 -2.59 105.19 104.97 1bs2 n GLY 293 Ca 0.00 -1.06 0.05 0.00 0.00 0.00 0.00 46.02 45.01 1bs2 n GLY 293 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1bs2 h GLU 294 N 0.00 0.00 -0.06 1.61 5.08 -1.72 -2.85 114.58 116.65 1bs2 h GLU 294 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.15 1bs2 h GLU 294 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bs2 h GLU 294 CO 0.00 0.37 -0.85 0.66 -1.00 0.00 0.00 179.01 178.19 1bs2 h SER 295 N 0.00 0.63 0.00 1.42 4.64 -1.83 -3.24 113.55 115.17 1bs2 h SER 295 Ca -0.00 -0.45 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1bs2 h SER 295 Cb 0.85 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1bs2 h SER 295 CO 0.05 1.23 0.00 0.00 -0.87 0.00 0.00 176.83 177.24 1bs2 n GLN 296 N -3.82 0.57 -2.65 4.77 1.13 -1.07 -4.78 117.38 111.52 1bs2 n GLN 296 Ca -0.06 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.58 1bs2 n GLN 296 Cb 0.78 -1.09 -0.03 0.00 0.11 0.00 0.00 30.24 30.01 1bs2 n GLN 296 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1bs2 s VAL 297 N -1.68 4.70 0.26 5.09 1.01 -1.22 -4.89 120.40 123.66 1bs2 s VAL 297 Ca 0.00 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.63 1bs2 s VAL 297 Cb 0.00 -4.25 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1bs2 s VAL 297 CO 0.00 0.11 1.46 -0.94 0.00 0.00 0.00 175.10 175.73 1bs2 s SER 298 N 1.06 6.60 0.42 3.32 1.04 -1.26 -4.88 113.70 120.01 1bs2 s SER 298 Ca 0.52 2.73 0.11 0.00 0.48 0.00 0.00 55.95 59.79 1bs2 s SER 298 Cb -0.22 -2.63 0.96 0.00 0.10 0.00 0.00 66.02 64.23 1bs2 s SER 298 CO 0.26 -0.73 2.00 0.07 0.98 0.00 0.00 173.24 175.82 1bs2 h LYS 299 N 4.86 0.46 0.87 4.02 -0.00 -1.95 -1.44 116.57 123.39 1bs2 h LYS 299 Ca -0.46 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.65 60.12 1bs2 h LYS 299 Cb 1.22 -0.10 0.00 0.00 -0.00 0.00 0.00 32.23 33.34 1bs2 h LYS 299 CO 0.77 0.31 -0.50 1.49 -0.00 0.00 0.00 179.45 181.52 1bs2 h GLU 300 N 0.48 -1.22 -0.49 0.07 4.81 -1.99 -1.87 114.58 114.36 1bs2 h GLU 300 Ca 0.24 0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.50 1bs2 h GLU 300 Cb 0.33 0.28 -0.02 0.00 0.63 0.00 0.00 28.75 29.96 1bs2 h GLU 300 CO -0.07 -0.81 0.10 0.77 -0.73 0.00 0.00 179.01 178.28 1bs2 h SER 301 N -1.26 0.70 -0.42 1.04 0.02 -1.86 0.32 113.55 112.09 1bs2 h SER 301 Ca -0.12 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.72 1bs2 h SER 301 Cb 1.00 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.33 1bs2 h SER 301 CO 0.14 0.70 0.27 -0.03 -1.14 0.00 0.00 176.83 176.77 1bs2 h MET 302 N 0.73 0.53 -0.07 3.45 1.85 -1.20 0.34 114.93 120.55 1bs2 h MET 302 Ca 0.16 -0.03 -0.08 0.00 -0.61 0.00 0.00 59.70 59.14 1bs2 h MET 302 Cb 0.29 -0.12 0.00 0.00 0.43 0.00 0.00 31.60 32.21 1bs2 h MET 302 CO 0.00 0.35 -0.27 -0.07 -0.40 0.00 0.00 176.91 176.52 1bs2 h LEU 303 N 0.54 0.36 -1.66 3.39 3.38 -1.05 -2.56 115.31 117.72 1bs2 h LEU 303 Ca 0.16 -0.63 0.11 0.00 0.09 0.00 0.00 57.88 57.61 1bs2 h LEU 303 Cb -0.04 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1bs2 h LEU 303 CO -0.05 0.93 0.42 0.50 0.09 0.00 0.00 178.44 180.33 1bs2 h LYS 304 N -0.19 0.37 0.42 1.13 3.11 -0.17 0.12 116.57 121.35 1bs2 h LYS 304 Ca -0.01 -0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1bs2 h LYS 304 Cb 0.91 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.06 1bs2 h LYS 304 CO 0.06 0.24 -0.20 0.00 -2.81 0.00 0.00 179.45 176.74 1bs2 h ALA 305 N 1.69 -0.56 -0.77 5.00 0.00 -0.26 0.34 119.26 124.70 1bs2 h ALA 305 Ca 0.29 -0.17 0.20 0.00 0.00 0.00 0.00 54.91 55.23 1bs2 h ALA 305 Cb 0.63 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 1bs2 h ALA 305 CO -0.08 -0.56 0.54 0.82 0.00 0.00 0.00 179.25 179.96 1bs2 h ILE 306 N -1.06 0.67 0.63 0.00 2.04 -1.02 -0.47 117.51 118.30 1bs2 h ILE 306 Ca -0.06 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1bs2 h ILE 306 Cb 0.52 0.49 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1bs2 h ILE 306 CO 0.09 0.03 -0.30 -0.78 0.00 0.00 0.00 178.15 177.19 1bs2 h ASP 307 N 0.17 -0.72 -0.24 1.72 1.82 -0.67 -3.18 116.42 115.32 1bs2 h ASP 307 Ca 0.38 0.02 0.07 0.00 -0.39 0.00 0.00 57.03 57.11 1bs2 h ASP 307 Cb 1.24 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 41.42 1bs2 h ASP 307 CO -0.07 -0.32 0.26 -0.07 -1.61 0.00 0.00 179.24 177.43 1bs2 h LEU 308 N -1.21 0.00 -0.25 2.28 3.38 0.42 -1.92 115.31 118.01 1bs2 h LEU 308 Ca -0.09 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.93 1bs2 h LEU 308 Cb 0.66 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1bs2 h LEU 308 CO 0.14 0.00 -0.02 -0.26 0.09 0.00 0.00 178.44 178.39 1bs2 h PHE 309 N 0.00 -0.05 -0.07 1.13 0.04 -1.12 -2.16 116.94 114.71 1bs2 h PHE 309 Ca 0.12 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.71 1bs2 h PHE 309 Cb 0.63 0.06 0.01 0.00 2.20 0.00 0.00 35.95 38.85 1bs2 h PHE 309 CO 0.00 -0.06 -0.73 1.57 -0.60 0.00 0.00 178.31 178.49 1bs2 h LYS 310 N 0.05 0.62 -0.35 1.51 2.10 -1.45 -2.39 116.57 116.66 1bs2 h LYS 310 Ca 0.12 -0.57 0.10 0.00 -2.00 0.00 0.00 60.65 58.29 1bs2 h LYS 310 Cb 0.16 0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1bs2 h LYS 310 CO -0.22 1.19 0.42 1.49 -2.00 0.00 0.00 179.45 180.33 1bs2 h GLU 311 N 0.26 0.00 0.00 0.07 4.81 -1.22 0.98 114.58 119.49 1bs2 h GLU 311 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1bs2 h GLU 311 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1bs2 h GLU 311 CO 0.15 0.00 -1.61 1.63 -0.73 0.00 0.00 179.01 178.44 1bs2 n LYS 312 N -3.62 0.64 -2.13 1.92 4.76 -0.83 -5.04 118.16 113.85 1bs2 n LYS 312 Ca 0.06 -0.13 -0.02 0.00 -2.87 0.00 0.00 58.31 55.35 1bs2 n LYS 312 Cb 0.58 -1.44 0.01 0.00 -1.84 0.00 0.00 35.03 32.33 1bs2 n LYS 312 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1bs2 n GLY 313 N 1.41 -0.43 0.00 0.72 0.00 0.34 -4.99 105.19 102.23 1bs2 n GLY 313 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1bs2 n GLY 313 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1bs2 n LEU 314 N -1.57 0.00 -4.77 0.99 4.77 -1.08 -5.05 117.00 110.29 1bs2 n LEU 314 Ca -0.01 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.64 1bs2 n LEU 314 Cb 0.51 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1bs2 n LEU 314 CO 0.21 0.00 0.75 -0.89 -1.33 0.00 0.00 177.39 176.14 1bs2 s THR 315 N -1.96 3.13 -0.30 -5.08 2.01 -1.25 -3.86 115.64 108.34 1bs2 s THR 315 Ca 0.00 0.55 -0.09 0.00 0.31 0.00 0.00 61.69 62.46 1bs2 s THR 315 Cb 0.00 -3.08 0.18 0.00 0.01 0.00 0.00 72.50 69.61 1bs2 s THR 315 CO 0.00 -0.30 0.96 -1.38 -0.69 0.00 0.00 174.62 173.20 1bs2 s HIS 316 N -2.23 -0.76 0.71 4.92 -3.43 -0.63 -4.95 115.29 108.92 1bs2 s HIS 316 Ca 0.68 0.57 -0.16 0.00 -0.80 0.00 0.00 55.06 55.35 1bs2 s HIS 316 Cb -0.22 0.18 0.02 0.00 -1.43 0.00 0.00 32.58 31.14 1bs2 s HIS 316 CO 0.40 -0.43 1.26 -1.21 -2.00 0.00 0.00 174.74 172.77 1bs2 s GLU 317 N 2.93 2.20 -0.29 -0.38 2.02 -1.26 -3.21 118.70 120.71 1bs2 s GLU 317 Ca 0.15 1.96 -0.10 0.00 0.02 0.00 0.00 54.97 57.00 1bs2 s GLU 317 Cb -0.07 -1.82 0.13 0.00 0.10 0.00 0.00 34.13 32.47 1bs2 s GLU 317 CO -0.19 -1.84 0.64 0.34 0.02 0.00 0.00 175.26 174.23 1bs2 s ASP 318 N -1.67 -1.10 -1.83 -0.19 -1.08 -0.16 -4.89 116.67 105.76 1bs2 s ASP 318 Ca 0.79 1.55 0.00 0.00 -0.52 0.00 0.00 52.55 54.37 1bs2 s ASP 318 Cb -0.34 2.21 0.00 0.00 -1.46 0.00 0.00 42.92 43.33 1bs2 s ASP 318 CO 0.44 -0.22 0.00 0.29 0.52 0.00 0.00 175.17 176.20 1bs2 n LYS 319 N 5.38 -1.34 -0.61 4.34 5.02 -1.26 -1.76 118.16 127.93 1bs2 n LYS 319 Ca -0.12 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 1bs2 n LYS 319 Cb 0.50 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 1bs2 n LYS 319 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1bs2 n GLY 320 N -0.82 0.76 3.51 0.72 0.00 -1.26 -4.75 105.19 103.36 1bs2 n GLY 320 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 1bs2 n GLY 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bs2 s ALA 321 N -2.70 2.77 0.05 4.61 0.00 -0.72 -3.31 121.76 122.45 1bs2 s ALA 321 Ca 0.00 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.47 1bs2 s ALA 321 Cb 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 23.12 22.26 1bs2 s ALA 321 CO 0.00 0.60 0.86 0.08 0.00 0.00 0.00 175.76 177.30 1bs2 s VAL 322 N -1.06 4.71 0.14 0.00 1.01 0.47 -0.99 120.40 124.68 1bs2 s VAL 322 Ca 0.17 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.99 1bs2 s VAL 322 Cb -0.11 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.02 1bs2 s VAL 322 CO 0.09 0.31 -0.03 -0.76 0.00 0.00 0.00 175.10 174.70 1bs2 s LEU 323 N 0.22 2.31 -0.15 3.92 1.02 -1.20 -1.46 118.68 123.34 1bs2 s LEU 323 Ca 0.43 -1.09 -0.01 0.00 0.02 0.00 0.00 54.13 53.48 1bs2 s LEU 323 Cb -0.21 -0.07 0.04 0.00 0.02 0.00 0.00 46.19 45.96 1bs2 s LEU 323 CO 0.25 -0.51 -0.04 -0.63 0.02 0.00 0.00 176.35 175.44 1bs2 s ILE 324 N -3.63 0.94 -0.99 -0.59 1.01 0.47 -1.61 121.20 116.81 1bs2 s ILE 324 Ca 0.18 -0.46 -0.21 0.00 0.00 0.00 0.00 60.65 60.16 1bs2 s ILE 324 Cb 0.05 -1.12 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1bs2 s ILE 324 CO -0.00 0.16 1.33 -0.62 0.00 0.00 0.00 174.94 175.81 1bs2 s ASP 325 N 1.71 6.55 0.00 3.58 -1.08 -1.25 -1.00 116.67 125.19 1bs2 s ASP 325 Ca 0.02 -1.69 0.20 0.00 -0.52 0.00 0.00 52.55 50.56 1bs2 s ASP 325 Cb -0.15 -2.50 0.86 0.00 -1.46 0.00 0.00 42.92 39.67 1bs2 s ASP 325 CO -0.07 -1.33 1.64 0.18 0.52 0.00 0.00 175.17 176.10 1bs2 n LEU 326 N 7.98 0.00 -0.37 -1.34 4.77 -0.96 -4.09 117.00 122.99 1bs2 n LEU 326 Ca 0.30 0.49 0.01 0.00 -0.03 0.00 0.00 56.01 56.78 1bs2 n LEU 326 Cb 0.50 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 41.17 1bs2 n LEU 326 CO 0.60 -0.15 0.59 0.41 -1.33 0.00 0.00 177.39 177.51 1bs2 n THR 327 N -1.49 -0.48 0.17 -5.08 -1.04 -1.26 -0.37 114.28 104.73 1bs2 n THR 327 Ca 0.05 2.27 0.09 0.00 -2.04 0.00 0.00 64.05 64.43 1bs2 n THR 327 Cb 0.23 -3.05 0.48 0.00 -1.82 0.00 0.00 70.33 66.17 1bs2 n THR 327 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1bs2 n LYS 328 N -5.48 0.12 -0.09 -2.82 4.76 -1.26 -1.96 118.16 111.43 1bs2 n LYS 328 Ca 0.12 0.58 -0.08 0.00 -2.87 0.00 0.00 58.31 56.06 1bs2 n LYS 328 Cb 0.42 -1.87 -0.15 0.00 -1.84 0.00 0.00 35.03 31.60 1bs2 n LYS 328 CO 0.00 0.00 0.00 1.19 -1.37 0.00 0.00 177.40 177.22 1bs2 n PHE 329 N -2.12 0.00 -3.15 2.13 3.72 0.50 -4.91 117.46 113.63 1bs2 n PHE 329 Ca -0.01 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.44 1bs2 n PHE 329 Cb 0.05 -0.89 -0.00 0.00 -0.94 0.00 0.00 39.48 37.71 1bs2 n PHE 329 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1bs2 s ASN 330 N -5.22 -0.97 0.59 4.37 2.47 -0.82 -5.02 114.94 110.34 1bs2 s ASN 330 Ca -0.09 0.17 0.29 0.00 0.42 0.00 0.00 52.86 53.65 1bs2 s ASN 330 Cb 0.06 1.64 1.41 0.00 -1.45 0.00 0.00 41.25 42.91 1bs2 s ASN 330 CO 0.77 -0.18 1.82 0.50 -3.72 0.00 0.00 177.10 176.29 1bs2 h LYS 331 N 7.66 0.00 -0.28 0.43 3.64 -1.65 0.14 116.57 126.51 1bs2 h LYS 331 Ca -0.07 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1bs2 h LYS 331 Cb 1.18 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 1bs2 h LYS 331 CO 0.02 0.00 0.06 0.87 -2.27 0.00 0.00 179.45 178.13 1bs2 h LYS 332 N 0.00 0.40 0.00 1.90 1.57 -1.94 -3.42 116.57 115.08 1bs2 h LYS 332 Ca 0.25 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1bs2 h LYS 332 Cb 1.41 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1bs2 h LYS 332 CO -0.00 0.38 0.00 1.28 -0.57 0.00 0.00 179.45 180.54 1bs2 n LEU 333 N -4.37 0.00 0.00 2.94 4.77 0.49 -5.11 117.00 115.73 1bs2 n LEU 333 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 1bs2 n LEU 333 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1bs2 n LEU 333 CO 0.37 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1bs2 n GLY 334 N 4.31 2.46 3.52 -0.72 0.00 -1.26 -4.77 105.19 108.73 1bs2 n GLY 334 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1bs2 n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs2 s LYS 335 N 0.20 3.31 0.03 1.61 1.02 -1.26 -2.27 119.74 122.38 1bs2 s LYS 335 Ca 0.00 -0.76 -0.30 0.00 0.02 0.00 0.00 55.97 54.94 1bs2 s LYS 335 Cb 0.00 -4.56 -0.04 0.00 -0.52 0.00 0.00 37.83 32.71 1bs2 s LYS 335 CO 0.00 -2.05 0.97 0.00 -0.92 0.00 0.00 175.35 173.35 1bs2 s ALA 336 N 4.83 3.19 0.10 5.17 0.00 -0.17 -4.78 121.76 130.10 1bs2 s ALA 336 Ca 0.34 0.54 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 1bs2 s ALA 336 Cb -0.08 -3.31 -0.06 0.00 0.00 0.00 0.00 23.12 19.67 1bs2 s ALA 336 CO 0.05 -0.16 0.90 0.42 0.00 0.00 0.00 175.76 176.96 1bs2 s ILE 337 N 0.70 4.55 0.00 0.00 1.01 -1.26 -0.39 121.20 125.80 1bs2 s ILE 337 Ca 0.50 1.93 0.00 0.00 0.00 0.00 0.00 60.65 63.08 1bs2 s ILE 337 Cb -0.22 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1bs2 s ILE 337 CO 0.28 0.35 0.00 1.33 0.00 0.00 0.00 174.94 176.90 1bs2 n VAL 338 N 2.70 0.00 -3.57 2.92 0.24 -0.54 -4.78 118.33 115.30 1bs2 n VAL 338 Ca 0.00 -0.33 -0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1bs2 n VAL 338 Cb 0.49 0.85 -0.04 0.00 -1.47 0.00 0.00 33.84 33.67 1bs2 n VAL 338 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1bs2 s GLN 339 N -1.20 0.49 0.63 7.34 0.74 -1.13 -4.17 119.66 122.36 1bs2 s GLN 339 Ca 0.00 1.23 -0.05 0.00 0.05 0.00 0.00 55.36 56.59 1bs2 s GLN 339 Cb 0.00 0.73 0.04 0.00 1.10 0.00 0.00 33.01 34.88 1bs2 s GLN 339 CO 0.00 -0.17 0.93 -1.59 -0.55 0.00 0.00 175.29 173.91 1bs2 s LYS 340 N 2.74 2.54 0.06 1.67 -2.85 -1.15 0.18 119.74 122.94 1bs2 s LYS 340 Ca -0.05 -0.25 -0.13 0.00 -1.00 0.00 0.00 55.97 54.55 1bs2 s LYS 340 Cb -0.10 -2.27 -0.03 0.00 -2.06 0.00 0.00 37.83 33.37 1bs2 s LYS 340 CO -0.19 -0.93 0.92 0.43 0.10 0.00 0.00 175.35 175.68 1bs2 n SER 341 N -2.68 -0.43 -0.37 0.03 7.64 -1.21 -0.32 113.62 116.28 1bs2 n SER 341 Ca 0.06 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.96 1bs2 n SER 341 Cb 0.59 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1bs2 n SER 341 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1bs2 n ASP 342 N -3.96 0.00 -3.62 6.43 5.75 -1.26 -4.73 116.55 115.16 1bs2 n ASP 342 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 54.79 54.50 1bs2 n ASP 342 Cb 0.10 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.24 1bs2 n ASP 342 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1bs2 n GLY 343 N 0.23 -1.03 3.16 6.12 0.00 0.56 -5.01 105.19 109.23 1bs2 n GLY 343 Ca 0.00 0.48 -0.13 0.00 0.00 0.00 0.00 46.02 46.36 1bs2 n GLY 343 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1bs2 s THR 344 N -3.44 0.83 0.53 2.61 -1.32 -1.23 -4.99 115.64 108.63 1bs2 s THR 344 Ca 0.47 -1.64 -0.14 0.00 -1.21 0.00 0.00 61.69 59.17 1bs2 s THR 344 Cb -0.15 -1.34 -0.06 0.00 -1.51 0.00 0.00 72.50 69.43 1bs2 s THR 344 CO 0.84 -0.61 0.97 0.28 -2.21 0.00 0.00 174.62 173.89 1bs2 s THR 345 N -2.59 4.62 0.46 5.08 -1.32 -1.26 -2.92 115.64 117.71 1bs2 s THR 345 Ca 0.05 1.03 0.06 0.00 -1.21 0.00 0.00 61.69 61.62 1bs2 s THR 345 Cb -0.02 -3.77 -0.02 0.00 -1.51 0.00 0.00 72.50 67.19 1bs2 s THR 345 CO -0.01 -0.82 0.26 -0.76 -2.21 0.00 0.00 174.62 171.08 1bs2 s LEU 346 N -4.40 2.95 0.21 9.08 1.43 -1.26 -4.94 118.68 121.75 1bs2 s LEU 346 Ca 0.57 -1.14 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 1bs2 s LEU 346 Cb -0.10 -1.38 0.24 0.00 0.03 0.00 0.00 46.19 44.98 1bs2 s LEU 346 CO 0.38 -0.76 1.82 0.22 0.23 0.00 0.00 176.35 178.24 1bs2 h TYR 347 N 1.15 0.72 -0.74 0.29 3.20 -1.96 -1.01 116.97 118.63 1bs2 h TYR 347 Ca -0.41 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.47 1bs2 h TYR 347 Cb 1.28 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 39.29 1bs2 h TYR 347 CO 0.81 0.35 0.38 1.25 -1.64 0.00 0.00 178.16 179.32 1bs2 h LEU 348 N 0.73 0.95 -0.58 2.82 5.85 -1.96 -2.79 115.31 120.32 1bs2 h LEU 348 Ca 0.30 -0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.79 1bs2 h LEU 348 Cb 0.17 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.94 1bs2 h LEU 348 CO -0.17 0.79 -0.14 0.74 -0.34 0.00 0.00 178.44 179.32 1bs2 h THR 349 N 1.03 1.27 0.00 1.05 2.02 -1.66 -2.11 112.91 114.51 1bs2 h THR 349 Ca 0.26 -1.30 -0.02 0.00 0.77 0.00 0.00 66.41 66.12 1bs2 h THR 349 Cb 0.08 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1bs2 h THR 349 CO -0.04 0.45 -0.12 0.03 0.37 0.00 0.00 175.52 176.22 1bs2 h ARG 350 N 0.87 0.00 0.04 6.66 3.08 -1.03 -0.34 114.38 123.67 1bs2 h ARG 350 Ca 0.13 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.91 1bs2 h ARG 350 Cb 0.71 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.78 1bs2 h ARG 350 CO 0.05 0.12 -1.07 -0.44 -1.07 0.00 0.00 179.97 177.56 1bs2 h ASP 351 N 0.00 0.87 -0.33 7.04 3.32 -1.19 0.11 116.42 126.24 1bs2 h ASP 351 Ca -0.00 -0.77 0.01 0.00 0.02 0.00 0.00 57.03 56.29 1bs2 h ASP 351 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1bs2 h ASP 351 CO 0.01 1.54 0.20 0.58 -1.72 0.00 0.00 179.24 179.85 1bs2 h VAL 352 N 0.31 1.04 0.21 -1.35 2.07 -0.72 -1.30 116.25 116.51 1bs2 h VAL 352 Ca -0.15 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1bs2 h VAL 352 Cb 1.74 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1bs2 h VAL 352 CO 0.21 0.07 -0.10 1.23 0.02 0.00 0.00 177.57 179.00 1bs2 h GLY 353 N 0.40 -0.30 -0.01 2.17 0.00 -1.08 -2.80 103.07 101.45 1bs2 h GLY 353 Ca 0.13 0.11 0.23 0.00 0.00 0.00 0.00 47.33 47.80 1bs2 h GLY 353 CO -0.06 -0.11 0.62 0.00 0.00 0.00 0.00 176.54 176.99 1bs2 h ALA 354 N 0.23 1.85 0.77 3.60 0.00 -0.63 -0.31 119.26 124.77 1bs2 h ALA 354 Ca -0.03 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1bs2 h ALA 354 Cb 0.38 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.15 1bs2 h ALA 354 CO 0.05 -0.26 -0.37 0.00 0.00 0.00 0.00 179.25 178.67 1bs2 h ALA 355 N 1.67 -1.04 -0.92 0.00 0.00 -1.10 -0.04 119.26 117.83 1bs2 h ALA 355 Ca 0.60 -0.23 0.25 0.00 0.00 0.00 0.00 54.91 55.53 1bs2 h ALA 355 Cb 1.15 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 19.20 1bs2 h ALA 355 CO -0.39 -1.08 0.41 0.52 0.00 0.00 0.00 179.25 178.71 1bs2 h MET 356 N -1.04 0.34 0.80 0.00 2.86 -0.86 0.28 114.93 117.32 1bs2 h MET 356 Ca -0.11 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 1bs2 h MET 356 Cb 0.80 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.39 1bs2 h MET 356 CO 0.17 0.23 -0.39 -0.44 1.06 0.00 0.00 176.91 177.54 1bs2 h ASP 357 N 0.35 -0.91 -1.02 1.22 5.19 -0.77 -2.92 116.42 117.56 1bs2 h ASP 357 Ca 0.60 0.03 0.25 0.00 -0.62 0.00 0.00 57.03 57.30 1bs2 h ASP 357 Cb 1.22 0.24 -0.11 0.00 0.18 0.00 0.00 39.33 40.86 1bs2 h ASP 357 CO -0.57 -0.58 0.63 0.03 -3.12 0.00 0.00 179.24 175.63 1bs2 h ARG 358 N -1.22 0.49 0.35 3.56 3.08 0.31 -1.20 114.38 119.75 1bs2 h ARG 358 Ca -0.11 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 1bs2 h ARG 358 Cb 0.83 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1bs2 h ARG 358 CO 0.18 0.32 -0.17 -0.92 -1.07 0.00 0.00 179.97 178.31 1bs2 h TYR 359 N 0.50 -0.44 0.00 3.04 3.20 -0.97 0.23 116.97 122.53 1bs2 h TYR 359 Ca 0.62 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.47 1bs2 h TYR 359 Cb 1.34 0.14 -0.00 0.00 1.54 0.00 0.00 36.73 39.76 1bs2 h TYR 359 CO -0.00 -0.11 -0.05 0.93 -1.64 0.00 0.00 178.16 177.29 1bs2 h GLU 360 N -0.84 0.00 0.16 1.82 5.08 -1.25 2.03 114.58 121.58 1bs2 h GLU 360 Ca -0.05 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.09 1bs2 h GLU 360 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.80 1bs2 h GLU 360 CO 0.08 0.05 -1.03 -0.22 -1.00 0.00 0.00 179.01 176.89 1bs2 h LYS 361 N 0.00 0.33 0.00 2.33 1.63 -1.15 -3.41 116.57 116.30 1bs2 h LYS 361 Ca -0.00 -0.57 -0.03 0.00 -0.85 0.00 0.00 60.65 59.20 1bs2 h LYS 361 Cb 0.22 0.21 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 1bs2 h LYS 361 CO 0.01 1.27 -1.40 0.66 -3.45 0.00 0.00 179.45 176.54 1bs2 n TYR 362 N -4.02 0.00 -3.89 1.91 4.02 0.06 -5.02 117.16 110.22 1bs2 n TYR 362 Ca -0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.46 1bs2 n TYR 362 Cb 0.88 -0.22 0.01 0.00 -0.02 0.00 0.00 39.34 39.99 1bs2 n TYR 362 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1bs2 n HIS 363 N -1.89 -1.94 -1.18 -0.72 8.25 0.68 -4.90 115.22 113.51 1bs2 n HIS 363 Ca -0.04 0.83 -0.34 0.00 -0.26 0.00 0.00 57.72 57.91 1bs2 n HIS 363 Cb 0.33 -3.95 0.11 0.00 1.12 0.00 0.00 29.99 27.61 1bs2 n HIS 363 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 1bs2 n PHE 364 N -4.44 0.76 0.38 4.41 1.16 -1.26 -4.94 117.46 113.52 1bs2 n PHE 364 Ca -0.16 0.39 0.11 0.00 -1.87 0.00 0.00 57.45 55.92 1bs2 n PHE 364 Cb 0.61 -2.07 -0.01 0.00 -1.61 0.00 0.00 39.48 36.41 1bs2 n PHE 364 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 1bs2 n ASP 365 N -2.40 0.57 -3.59 5.98 8.00 0.39 -4.94 116.55 120.56 1bs2 n ASP 365 Ca 0.13 -0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.45 1bs2 n ASP 365 Cb 0.50 0.90 -0.06 0.00 -0.02 0.00 0.00 41.12 42.44 1bs2 n ASP 365 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bs2 s LYS 366 N -3.28 0.71 -0.05 -1.24 2.20 -1.00 -4.84 119.74 112.23 1bs2 s LYS 366 Ca 0.01 0.44 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1bs2 s LYS 366 Cb 0.13 0.34 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1bs2 s LYS 366 CO 0.82 -0.17 -0.03 1.41 -0.36 0.00 0.00 175.35 177.02 1bs2 s MET 367 N -0.49 0.74 -0.17 4.03 -2.45 -0.44 -1.51 119.30 119.01 1bs2 s MET 367 Ca -0.02 -0.04 -0.02 0.00 -1.25 0.00 0.00 55.69 54.36 1bs2 s MET 367 Cb -0.02 -0.85 -0.01 0.00 1.25 0.00 0.00 34.83 35.20 1bs2 s MET 367 CO 0.01 -0.14 -0.08 0.42 1.05 0.00 0.00 175.02 176.28 1bs2 s ILE 368 N 1.17 3.29 -0.29 10.11 1.01 0.35 -1.08 121.20 135.76 1bs2 s ILE 368 Ca -0.07 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1bs2 s ILE 368 Cb -0.14 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.89 1bs2 s ILE 368 CO -0.01 0.48 0.11 -0.31 0.00 0.00 0.00 174.94 175.21 1bs2 s TYR 369 N 0.77 3.14 -0.74 3.97 1.51 -0.21 -0.31 117.35 125.47 1bs2 s TYR 369 Ca -0.03 -0.61 -0.15 0.00 -1.01 0.00 0.00 57.07 55.27 1bs2 s TYR 369 Cb -0.15 -2.30 0.19 0.00 -0.11 0.00 0.00 41.96 39.59 1bs2 s TYR 369 CO 0.02 -0.45 0.71 0.08 -1.11 0.00 0.00 175.55 174.79 1bs2 s VAL 370 N 1.59 5.42 0.13 0.71 1.01 -0.27 -1.04 120.40 127.96 1bs2 s VAL 370 Ca 0.05 -2.09 0.07 0.00 0.00 0.00 0.00 61.98 60.01 1bs2 s VAL 370 Cb -0.16 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 1bs2 s VAL 370 CO 0.05 -1.01 -0.18 -0.63 0.00 0.00 0.00 175.10 173.33 1bs2 s ILE 371 N 0.80 1.61 0.74 2.22 1.01 -1.16 -4.45 121.20 121.97 1bs2 s ILE 371 Ca 0.14 -1.69 -0.15 0.00 0.00 0.00 0.00 60.65 58.94 1bs2 s ILE 371 Cb -0.16 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.74 1bs2 s ILE 371 CO -0.05 -0.25 1.21 0.00 0.00 0.00 0.00 174.94 175.85 1bs2 n ALA 372 N 0.70 0.41 0.50 9.38 0.00 -1.26 -3.89 120.51 126.34 1bs2 n ALA 372 Ca -0.16 -0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.15 1bs2 n ALA 372 Cb 0.56 -2.26 0.28 0.00 0.00 0.00 0.00 19.45 18.02 1bs2 n ALA 372 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1bs2 n SER 373 N -2.53 0.00 0.26 0.00 3.41 -0.52 -1.63 113.62 112.60 1bs2 n SER 373 Ca 0.14 0.27 0.14 0.00 -0.26 0.00 0.00 58.87 59.17 1bs2 n SER 373 Cb 0.49 -0.37 0.62 0.00 -0.26 0.00 0.00 64.21 64.69 1bs2 n SER 373 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1bs2 h GLN 374 N 0.00 0.00 -0.38 4.33 5.75 -1.89 -2.74 115.11 120.17 1bs2 h GLN 374 Ca 0.00 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 1bs2 h GLN 374 Cb 0.15 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1bs2 h GLN 374 CO 0.00 0.09 0.03 1.04 -2.65 0.00 0.00 178.83 177.34 1bs2 n GLN 375 N -3.24 3.23 -0.06 1.69 6.02 -0.65 -4.76 117.38 119.62 1bs2 n GLN 375 Ca 0.00 -2.97 -0.15 0.00 -0.01 0.00 0.00 57.00 53.88 1bs2 n GLN 375 Cb 0.34 -1.96 -0.10 0.00 1.02 0.00 0.00 30.24 29.54 1bs2 n GLN 375 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1bs2 h ASP 376 N 2.17 -1.77 -0.76 1.08 3.32 -1.62 -1.55 116.42 117.29 1bs2 h ASP 376 Ca 0.06 0.22 0.07 0.00 0.02 0.00 0.00 57.03 57.40 1bs2 h ASP 376 Cb 1.68 0.71 -0.06 0.00 0.22 0.00 0.00 39.33 41.87 1bs2 h ASP 376 CO 0.35 -0.46 0.44 0.25 -1.72 0.00 0.00 179.24 178.11 1bs2 h LEU 377 N -0.52 0.66 -0.21 1.55 5.85 -1.86 0.14 115.31 120.93 1bs2 h LEU 377 Ca 0.05 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.85 1bs2 h LEU 377 Cb 0.65 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.51 1bs2 h LEU 377 CO -0.50 0.41 -0.32 -0.74 -0.34 0.00 0.00 178.44 176.96 1bs2 h HIS 378 N 0.79 -0.89 0.34 1.25 2.76 -1.66 0.11 115.15 117.86 1bs2 h HIS 378 Ca 0.34 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 1bs2 h HIS 378 Cb 0.22 0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.60 1bs2 h HIS 378 CO -0.06 -0.39 -0.16 0.00 -1.30 0.00 0.00 177.93 176.01 1bs2 h ALA 379 N 0.52 -0.46 -1.04 5.26 0.00 -0.85 -2.50 119.26 120.19 1bs2 h ALA 379 Ca 0.12 -0.14 0.28 0.00 0.00 0.00 0.00 54.91 55.16 1bs2 h ALA 379 Cb 0.54 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1bs2 h ALA 379 CO -0.40 -0.70 0.70 0.00 0.00 0.00 0.00 179.25 178.85 1bs2 h ALA 380 N 0.03 2.45 0.26 0.00 0.00 -0.64 -1.53 119.26 119.83 1bs2 h ALA 380 Ca -0.05 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1bs2 h ALA 380 Cb 0.43 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1bs2 h ALA 380 CO 0.08 -0.82 -0.13 1.96 0.00 0.00 0.00 179.25 180.34 1bs2 h GLN 381 N 0.29 -0.34 0.00 0.00 4.20 -0.44 -2.36 115.11 116.46 1bs2 h GLN 381 Ca 0.56 0.02 0.00 0.00 0.06 0.00 0.00 58.65 59.30 1bs2 h GLN 381 Cb 1.64 0.08 0.00 0.00 0.30 0.00 0.00 27.48 29.50 1bs2 h GLN 381 CO -0.21 -0.23 0.00 1.97 -0.67 0.00 0.00 178.83 179.70 1bs2 n PHE 382 N -4.02 0.00 -0.01 2.96 1.16 -0.97 -0.29 117.46 116.29 1bs2 n PHE 382 Ca -0.04 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.32 1bs2 n PHE 382 Cb 0.14 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 37.87 1bs2 n PHE 382 CO 0.00 0.00 0.00 0.74 -1.87 0.00 0.00 176.76 175.63 1bs2 h PHE 383 N 0.00 0.43 0.00 2.97 -1.00 -1.27 -2.97 116.94 115.10 1bs2 h PHE 383 Ca 0.00 -0.31 -0.14 0.00 2.81 0.00 0.00 57.97 60.33 1bs2 h PHE 383 Cb 0.00 -0.02 -0.02 0.00 3.61 0.00 0.00 35.95 39.52 1bs2 h PHE 383 CO 0.00 1.73 -0.65 1.49 -1.61 0.00 0.00 178.31 179.27 1bs2 h GLU 384 N -0.10 0.00 0.32 1.51 4.57 -0.15 -2.75 114.58 117.97 1bs2 h GLU 384 Ca -0.40 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 57.76 1bs2 h GLU 384 Cb 1.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 1bs2 h GLU 384 CO 0.05 0.65 -0.15 0.82 -1.18 0.00 0.00 179.01 179.19 1bs2 h ILE 385 N 0.00 0.47 -1.07 2.32 2.04 -0.78 -2.34 117.51 118.14 1bs2 h ILE 385 Ca -0.01 -0.77 0.31 0.00 1.00 0.00 0.00 64.86 65.39 1bs2 h ILE 385 Cb 1.21 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 1bs2 h ILE 385 CO 0.08 0.11 0.77 -0.07 0.00 0.00 0.00 178.15 179.04 1bs2 h LEU 386 N -0.96 0.02 0.28 1.44 3.38 -1.55 0.45 115.31 118.37 1bs2 h LEU 386 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1bs2 h LEU 386 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1bs2 h LEU 386 CO 0.07 0.01 -0.13 0.50 0.09 0.00 0.00 178.44 178.97 1bs2 h LYS 387 N 0.02 -0.36 0.00 1.13 3.64 -1.34 -3.08 116.57 116.57 1bs2 h LYS 387 Ca 0.52 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.92 1bs2 h LYS 387 Cb 2.03 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 33.93 1bs2 h LYS 387 CO -0.02 -0.02 0.00 1.96 -2.27 0.00 0.00 179.45 179.09 1bs2 h GLN 388 N -0.77 0.00 0.00 1.90 7.50 -0.45 0.10 115.11 123.40 1bs2 h GLN 388 Ca -0.04 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.11 1bs2 h GLN 388 Cb 0.50 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1bs2 h GLN 388 CO 0.06 0.00 0.00 -1.33 -1.50 0.00 0.00 178.83 176.06 1bs2 n MET 389 N -2.57 0.75 0.00 1.46 2.81 -0.08 -4.90 117.12 114.60 1bs2 n MET 389 Ca -0.00 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1bs2 n MET 389 Cb 0.17 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1bs2 n MET 389 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1bs2 n GLY 390 N 0.91 2.94 3.42 3.03 0.00 0.36 -5.01 105.19 110.83 1bs2 n GLY 390 Ca 0.19 -0.80 -0.62 0.00 0.00 0.00 0.00 46.02 44.79 1bs2 n GLY 390 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1bs2 n PHE 391 N 0.00 1.53 -0.04 1.61 3.72 -1.20 -4.84 117.46 118.24 1bs2 n PHE 391 Ca 0.00 1.00 -0.13 0.00 -0.05 0.00 0.00 57.45 58.27 1bs2 n PHE 391 Cb 0.00 -2.11 -0.08 0.00 -0.94 0.00 0.00 39.48 36.35 1bs2 n PHE 391 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 1bs2 h GLU 392 N 5.55 0.22 0.00 -1.08 4.57 -1.90 -3.16 114.58 118.79 1bs2 h GLU 392 Ca -0.34 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 57.73 1bs2 h GLU 392 Cb 1.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1bs2 h GLU 392 CO 0.95 0.62 0.29 -2.67 -1.18 0.00 0.00 179.01 177.01 1bs2 n TRP 393 N -4.68 0.12 -0.03 0.92 4.27 -1.26 -1.78 117.44 115.00 1bs2 n TRP 393 Ca -0.07 0.06 0.15 0.00 -3.89 0.00 0.00 57.50 53.75 1bs2 n TRP 393 Cb 0.30 -0.35 0.58 0.00 -1.36 0.00 0.00 31.31 30.48 1bs2 n TRP 393 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1bs2 h ALA 394 N 1.01 2.19 0.00 -1.67 0.00 -1.86 0.48 119.26 119.40 1bs2 h ALA 394 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bs2 h ALA 394 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1bs2 h ALA 394 CO 0.00 -0.33 0.00 0.87 0.00 0.00 0.00 179.25 179.79 1bs2 h LYS 395 N 0.23 0.00 -0.48 0.00 1.57 -1.62 -2.44 116.57 113.83 1bs2 h LYS 395 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1bs2 h LYS 395 Cb 0.69 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.00 1bs2 h LYS 395 CO -0.05 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.58 1bs2 n ASP 396 N -2.44 2.77 -4.88 0.86 8.00 0.17 -4.89 116.55 116.15 1bs2 n ASP 396 Ca 0.01 -1.97 -0.33 0.00 0.71 0.00 0.00 54.79 53.22 1bs2 n ASP 396 Cb 0.22 -0.32 -0.05 0.00 -0.02 0.00 0.00 41.12 40.94 1bs2 n ASP 396 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1bs2 s LEU 397 N -1.10 4.24 -0.12 0.64 1.43 -0.92 -1.33 118.68 121.52 1bs2 s LEU 397 Ca 0.35 0.82 -0.11 0.00 -1.03 0.00 0.00 54.13 54.16 1bs2 s LEU 397 Cb 0.19 -3.44 0.03 0.00 0.03 0.00 0.00 46.19 43.00 1bs2 s LEU 397 CO 0.25 0.02 0.32 -1.58 0.23 0.00 0.00 176.35 175.59 1bs2 s GLN 398 N -2.56 0.39 -0.36 1.70 0.74 -0.24 -4.93 119.66 114.40 1bs2 s GLN 398 Ca 0.43 0.43 -0.07 0.00 0.05 0.00 0.00 55.36 56.20 1bs2 s GLN 398 Cb -0.12 0.19 0.05 0.00 1.10 0.00 0.00 33.01 34.23 1bs2 s GLN 398 CO 0.21 -0.05 0.14 -1.58 -0.55 0.00 0.00 175.29 173.46 1bs2 s HIS 399 N 0.12 3.29 -0.53 1.67 5.65 -1.26 -1.05 115.29 123.18 1bs2 s HIS 399 Ca -0.00 -1.50 -0.19 0.00 0.25 0.00 0.00 55.06 53.62 1bs2 s HIS 399 Cb -0.02 -2.46 0.07 0.00 -1.18 0.00 0.00 32.58 28.99 1bs2 s HIS 399 CO 0.01 -0.76 0.63 0.08 -0.65 0.00 0.00 174.74 174.04 1bs2 s VAL 400 N 1.39 4.89 0.25 0.89 1.01 -0.20 -4.99 120.40 123.64 1bs2 s VAL 400 Ca -0.00 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1bs2 s VAL 400 Cb -0.20 -4.35 0.05 0.00 0.00 0.00 0.00 36.38 31.88 1bs2 s VAL 400 CO 0.02 -0.89 0.35 -0.46 0.00 0.00 0.00 175.10 174.12 1bs2 n ASN 401 N 6.14 0.52 -3.58 3.32 6.94 -1.26 -2.97 115.26 124.38 1bs2 n ASN 401 Ca -0.08 -1.43 -0.08 0.00 -0.02 0.00 0.00 54.58 52.97 1bs2 n ASN 401 Cb 0.44 -0.22 -0.04 0.00 -2.36 0.00 0.00 39.78 37.60 1bs2 n ASN 401 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 1bs2 s PHE 402 N -0.86 -0.27 0.53 -2.53 -0.12 -1.25 -4.51 117.98 108.97 1bs2 s PHE 402 Ca 0.23 0.39 -0.09 0.00 -0.05 0.00 0.00 56.93 57.42 1bs2 s PHE 402 Cb -0.01 0.48 0.13 0.00 -0.63 0.00 0.00 43.02 42.98 1bs2 s PHE 402 CO 0.15 -0.29 0.57 0.41 -0.05 0.00 0.00 175.22 176.01 1bs2 n GLY 403 N 0.44 -2.02 3.75 1.99 0.00 0.15 -1.43 105.19 108.06 1bs2 n GLY 403 Ca -0.07 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 1bs2 n GLY 403 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1bs2 s MET 404 N -4.27 2.99 0.08 1.61 0.23 -1.26 -4.84 119.30 113.84 1bs2 s MET 404 Ca 0.35 -0.50 -0.30 0.00 -1.03 0.00 0.00 55.69 54.20 1bs2 s MET 404 Cb -0.02 -2.81 -0.05 0.00 -1.53 0.00 0.00 34.83 30.41 1bs2 s MET 404 CO 0.25 0.65 1.05 0.08 -2.03 0.00 0.00 175.02 175.03 1bs2 s VAL 405 N -1.13 4.37 0.13 5.16 1.01 -1.26 -2.74 120.40 125.93 1bs2 s VAL 405 Ca 0.21 1.83 0.10 0.00 0.00 0.00 0.00 61.98 64.12 1bs2 s VAL 405 Cb -0.12 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1bs2 s VAL 405 CO 0.12 0.21 -0.22 -1.10 0.00 0.00 0.00 175.10 174.11 1bs2 s GLN 406 N 0.47 1.61 -0.19 2.72 -0.21 -0.05 -4.64 119.66 119.37 1bs2 s GLN 406 Ca 0.52 -1.29 0.00 0.00 0.02 0.00 0.00 55.36 54.61 1bs2 s GLN 406 Cb -0.25 -2.00 0.00 0.00 1.00 0.00 0.00 33.01 31.75 1bs2 s GLN 406 CO 0.30 0.46 0.00 0.41 -2.12 0.00 0.00 175.29 174.34 1bs2 n GLY 407 N 0.76 0.39 0.20 3.09 0.00 -1.26 -1.09 105.19 107.28 1bs2 n GLY 407 Ca -0.16 -0.08 -0.18 0.00 0.00 0.00 0.00 46.02 45.60 1bs2 n GLY 407 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1bs2 h MET 408 N 0.38 0.70 -5.00 1.61 -1.53 -1.83 -3.42 114.93 105.83 1bs2 h MET 408 Ca -0.04 -0.65 -0.03 0.00 -3.44 0.00 0.00 59.70 55.54 1bs2 h MET 408 Cb 0.58 0.16 -0.01 0.00 -0.55 0.00 0.00 31.60 31.78 1bs2 h MET 408 CO 0.05 1.25 1.06 0.43 0.14 0.00 0.00 176.91 179.84 1bs2 n SER 409 N -3.97 -1.84 0.08 1.39 7.64 -1.26 -4.58 113.62 111.08 1bs2 n SER 409 Ca -0.09 -1.37 -0.10 0.00 1.01 0.00 0.00 58.87 58.32 1bs2 n SER 409 Cb 0.78 -0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 1bs2 n SER 409 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1bs2 h THR 410 N 6.99 1.44 -1.20 0.44 1.03 -1.81 -3.43 112.91 116.36 1bs2 h THR 410 Ca 0.00 -2.47 -0.73 0.00 -0.01 0.00 0.00 66.41 63.20 1bs2 h THR 410 Cb 1.01 2.38 -0.00 0.00 -1.07 0.00 0.00 68.15 70.47 1bs2 h THR 410 CO 1.05 0.73 1.09 -1.14 -0.01 0.00 0.00 175.52 177.25 1bs2 n ARG 411 N -3.72 0.95 0.31 0.00 0.63 -1.25 -4.70 116.66 108.88 1bs2 n ARG 411 Ca -0.05 0.32 0.21 0.00 -0.92 0.00 0.00 57.85 57.41 1bs2 n ARG 411 Cb 0.79 -2.11 1.07 0.00 0.45 0.00 0.00 32.46 32.67 1bs2 n ARG 411 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1bs2 h LYS 412 N 8.81 0.00 0.00 -0.14 1.79 -1.95 -2.38 116.57 122.70 1bs2 h LYS 412 Ca -0.36 0.00 -0.16 0.00 -2.18 0.00 0.00 60.65 57.94 1bs2 h LYS 412 Cb 1.33 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.95 1bs2 h LYS 412 CO 1.00 0.00 -1.50 0.41 -1.08 0.00 0.00 179.45 178.27 1bs2 n GLY 413 N -0.90 -1.18 0.00 3.86 0.00 -1.26 -5.07 105.19 100.63 1bs2 n GLY 413 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1bs2 n GLY 413 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1bs2 n THR 414 N -2.83 0.00 -1.61 2.61 -2.24 -0.90 -5.17 114.28 104.15 1bs2 n THR 414 Ca -0.11 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 1bs2 n THR 414 Cb 0.83 0.00 0.05 0.00 -2.10 0.00 0.00 70.33 69.11 1bs2 n THR 414 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bs2 s VAL 415 N -0.46 3.98 0.56 2.28 0.11 -1.26 -3.88 120.40 121.72 1bs2 s VAL 415 Ca 0.00 0.64 -0.21 0.00 -2.93 0.00 0.00 61.98 59.48 1bs2 s VAL 415 Cb 0.00 -3.42 -0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1bs2 s VAL 415 CO 0.00 -0.84 1.29 0.68 -3.33 0.00 0.00 175.10 172.90 1bs2 s VAL 416 N -3.08 2.32 -0.02 2.04 -7.23 -1.26 -4.63 120.40 108.53 1bs2 s VAL 416 Ca 0.58 0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 60.96 1bs2 s VAL 416 Cb -0.14 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.68 1bs2 s VAL 416 CO 0.55 -0.02 -0.04 2.22 -0.31 0.00 0.00 175.10 177.50 1bs2 n PHE 417 N -1.19 0.00 -3.99 2.82 1.16 -1.26 -4.34 117.46 110.66 1bs2 n PHE 417 Ca 0.11 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.35 1bs2 n PHE 417 Cb 0.47 -0.10 -0.15 0.00 -1.61 0.00 0.00 39.48 38.09 1bs2 n PHE 417 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1bs2 s LEU 418 N -6.22 2.77 0.20 5.98 1.43 -1.26 0.77 118.68 122.35 1bs2 s LEU 418 Ca -0.04 -0.65 -0.23 0.00 -1.03 0.00 0.00 54.13 52.17 1bs2 s LEU 418 Cb 0.02 -1.63 0.10 0.00 0.03 0.00 0.00 46.19 44.71 1bs2 s LEU 418 CO 0.05 -0.05 1.55 -0.78 0.23 0.00 0.00 176.35 177.34 1bs2 h ASP 419 N 8.02 -1.75 -0.78 2.29 3.58 -1.97 0.14 116.42 125.96 1bs2 h ASP 419 Ca -0.39 0.32 0.12 0.00 0.42 0.00 0.00 57.03 57.49 1bs2 h ASP 419 Cb 1.13 0.84 -0.05 0.00 1.72 0.00 0.00 39.33 42.97 1bs2 h ASP 419 CO 0.60 -0.27 0.51 -0.55 -2.88 0.00 0.00 179.24 176.66 1bs2 h ASN 420 N -0.01 0.54 0.21 2.28 -1.07 -1.97 0.19 115.58 115.75 1bs2 h ASN 420 Ca 0.26 0.02 -0.04 0.00 0.07 0.00 0.00 56.30 56.61 1bs2 h ASN 420 Cb 0.52 -0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 36.67 1bs2 h ASN 420 CO -0.96 0.30 -0.20 0.40 0.07 0.00 0.00 177.43 177.05 1bs2 h ILE 421 N 0.59 1.11 0.81 6.14 1.08 -1.15 -1.15 117.51 124.94 1bs2 h ILE 421 Ca 0.37 -0.68 -0.04 0.00 -0.39 0.00 0.00 64.86 64.13 1bs2 h ILE 421 Cb 0.64 1.37 0.01 0.00 -3.07 0.00 0.00 36.82 35.76 1bs2 h ILE 421 CO -0.14 0.19 -0.39 -0.07 -0.69 0.00 0.00 178.15 177.05 1bs2 h LEU 422 N 0.00 -0.92 -0.79 1.44 3.38 -0.37 0.12 115.31 118.18 1bs2 h LEU 422 Ca -0.00 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.18 1bs2 h LEU 422 Cb 0.35 0.24 -0.14 0.00 0.09 0.00 0.00 40.66 41.20 1bs2 h LEU 422 CO 0.03 -0.57 0.02 -0.33 0.09 0.00 0.00 178.44 177.68 1bs2 h GLU 423 N -1.26 0.10 0.09 1.13 4.39 -1.22 -0.37 114.58 117.43 1bs2 h GLU 423 Ca -0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 1bs2 h GLU 423 Cb 0.83 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1bs2 h GLU 423 CO 0.18 0.07 -0.04 1.49 -1.16 0.00 0.00 179.01 179.55 1bs2 h GLU 424 N 0.11 -0.11 -0.77 2.33 4.57 -1.07 0.28 114.58 119.91 1bs2 h GLU 424 Ca 0.44 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.63 1bs2 h GLU 424 Cb 0.80 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.37 1bs2 h GLU 424 CO -0.69 -0.04 0.50 0.00 -1.18 0.00 0.00 179.01 177.60 1bs2 h THR 425 N -0.15 1.20 -0.01 0.32 1.03 0.26 -0.23 112.91 115.32 1bs2 h THR 425 Ca -0.01 -0.39 0.02 0.00 -0.01 0.00 0.00 66.41 66.02 1bs2 h THR 425 Cb 0.12 0.08 -0.03 0.00 -1.07 0.00 0.00 68.15 67.25 1bs2 h THR 425 CO 0.02 0.20 -0.11 0.11 -0.01 0.00 0.00 175.52 175.73 1bs2 h LYS 426 N 1.05 -0.18 -0.12 0.00 6.56 -0.85 0.20 116.57 123.23 1bs2 h LYS 426 Ca 0.28 0.01 0.04 0.00 -1.06 0.00 0.00 60.65 59.93 1bs2 h LYS 426 Cb -0.10 0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 31.55 1bs2 h LYS 426 CO -0.06 -0.12 -0.18 1.49 -2.06 0.00 0.00 179.45 178.52 1bs2 h GLU 427 N -0.18 -0.22 0.11 3.15 4.81 -0.42 0.30 114.58 122.12 1bs2 h GLU 427 Ca 0.05 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1bs2 h GLU 427 Cb 0.24 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.64 1bs2 h GLU 427 CO -0.12 -0.15 -0.27 0.87 -0.73 0.00 0.00 179.01 178.61 1bs2 h LYS 428 N -0.23 -0.45 -0.12 1.92 1.57 -0.67 0.34 116.57 118.93 1bs2 h LYS 428 Ca 0.10 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1bs2 h LYS 428 Cb 0.37 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 1bs2 h LYS 428 CO -0.26 -0.30 0.08 0.52 -0.57 0.00 0.00 179.45 178.92 1bs2 h MET 429 N -0.47 0.15 0.00 3.15 2.86 -0.21 -1.06 114.93 119.35 1bs2 h MET 429 Ca 0.03 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1bs2 h MET 429 Cb 0.50 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1bs2 h MET 429 CO -0.16 0.10 -0.47 1.25 1.06 0.00 0.00 176.91 178.69 1bs2 h HIS 430 N 0.15 0.00 0.06 -0.22 -0.00 0.63 -2.26 115.15 113.51 1bs2 h HIS 430 Ca 0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1bs2 h HIS 430 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.40 1bs2 h HIS 430 CO -0.00 0.31 -0.03 1.49 -0.00 0.00 0.00 177.93 179.71 1bs2 h GLU 431 N 0.00 -0.07 0.00 5.26 4.22 0.90 0.13 114.58 125.02 1bs2 h GLU 431 Ca -0.02 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.38 1bs2 h GLU 431 Cb 1.25 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1bs2 h GLU 431 CO 0.04 0.38 -0.23 -0.39 -2.18 0.00 0.00 179.01 176.62 1bs2 h VAL 432 N -0.55 0.58 -0.25 0.32 -1.51 -1.47 -0.65 116.25 112.72 1bs2 h VAL 432 Ca -0.01 -1.13 -0.03 0.00 -1.23 0.00 0.00 66.70 64.30 1bs2 h VAL 432 Cb 0.48 1.76 -0.01 0.00 -2.13 0.00 0.00 31.29 31.40 1bs2 h VAL 432 CO 0.01 0.23 0.04 -0.03 -1.23 0.00 0.00 177.57 176.59 1bs2 h MET 433 N 0.00 0.42 -0.73 5.19 1.85 -1.20 -2.17 114.93 118.29 1bs2 h MET 433 Ca -0.00 -0.11 -0.04 0.00 -0.61 0.00 0.00 59.70 58.93 1bs2 h MET 433 Cb 0.74 -0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.69 1bs2 h MET 433 CO 0.03 0.55 0.29 0.87 -0.40 0.00 0.00 176.91 178.25 1bs2 h LYS 434 N 0.23 1.09 -0.70 0.39 1.57 -0.15 -2.58 116.57 116.42 1bs2 h LYS 434 Ca 0.08 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1bs2 h LYS 434 Cb 0.33 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 1bs2 h LYS 434 CO 0.01 0.88 0.46 0.87 -0.57 0.00 0.00 179.45 181.10 1bs2 h LYS 435 N 1.06 0.72 0.00 3.15 1.57 -0.66 -2.32 116.57 120.09 1bs2 h LYS 435 Ca 0.25 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1bs2 h LYS 435 Cb 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 1bs2 h LYS 435 CO -0.02 0.48 -0.06 -0.91 -0.57 0.00 0.00 179.45 178.37 1bs2 h ASN 436 N 0.74 0.00 -3.50 0.86 2.35 -0.99 -3.36 115.58 111.69 1bs2 h ASN 436 Ca 0.30 0.00 -0.75 0.00 -0.55 0.00 0.00 56.30 55.29 1bs2 h ASN 436 Cb 0.22 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 38.28 1bs2 h ASN 436 CO -0.09 0.06 0.15 -1.61 -1.65 0.00 0.00 177.43 174.28 1bs2 s GLU 437 N -3.52 3.69 0.58 0.81 2.02 -0.87 -4.88 118.70 116.53 1bs2 s GLU 437 Ca 0.03 -3.18 0.28 0.00 0.02 0.00 0.00 54.97 52.12 1bs2 s GLU 437 Cb 0.08 -4.24 1.62 0.00 0.10 0.00 0.00 34.13 31.68 1bs2 s GLU 437 CO 0.60 -1.25 2.08 -0.91 0.02 0.00 0.00 175.26 175.80 1bs2 h ASN 438 N 6.44 0.00 0.92 -0.19 4.21 -1.76 -2.28 115.58 122.92 1bs2 h ASN 438 Ca 0.16 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.65 1bs2 h ASN 438 Cb 0.86 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.06 1bs2 h ASN 438 CO 0.91 0.00 -0.08 0.11 -1.29 0.00 0.00 177.43 177.08 1bs2 h LYS 439 N 0.00 0.00 0.00 0.81 1.57 -1.92 -3.29 116.57 113.73 1bs2 h LYS 439 Ca 0.10 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.59 1bs2 h LYS 439 Cb 0.56 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 1bs2 h LYS 439 CO -0.00 0.08 -2.28 0.66 -0.57 0.00 0.00 179.45 177.34 1bs2 n TYR 440 N -3.23 0.00 -4.14 -1.35 4.02 -0.86 -4.98 117.16 106.62 1bs2 n TYR 440 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.53 1bs2 n TYR 440 Cb 0.34 -0.88 -0.08 0.00 -0.02 0.00 0.00 39.34 38.69 1bs2 n TYR 440 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1bs2 s ALA 441 N -2.68 3.53 0.00 -0.72 0.00 -1.22 -4.83 121.76 115.84 1bs2 s ALA 441 Ca -0.09 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1bs2 s ALA 441 Cb 0.07 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.48 1bs2 s ALA 441 CO 0.83 0.56 0.17 0.94 0.00 0.00 0.00 175.76 178.25 1bs2 n GLN 442 N 2.21 0.00 -0.89 0.00 7.27 -1.26 -4.90 117.38 119.81 1bs2 n GLN 442 Ca -0.19 0.00 -0.30 0.00 0.07 0.00 0.00 57.00 56.58 1bs2 n GLN 442 Cb 0.54 0.00 0.17 0.00 2.41 0.00 0.00 30.24 33.36 1bs2 n GLN 442 CO 0.00 0.00 0.00 0.96 0.07 0.00 0.00 177.06 178.09 1bs2 s ILE 443 N 0.00 2.40 -0.15 1.69 -0.00 -1.26 -5.00 121.20 118.89 1bs2 s ILE 443 Ca 0.00 0.13 0.18 0.00 -0.00 0.00 0.00 60.65 60.96 1bs2 s ILE 443 Cb 0.00 -2.36 -0.25 0.00 -0.00 0.00 0.00 42.46 39.84 1bs2 s ILE 443 CO 0.00 -0.17 0.26 1.21 -0.00 0.00 0.00 174.94 176.24 1bs2 n GLU 444 N -4.20 0.67 -3.33 0.37 2.13 -1.23 -4.62 120.64 110.44 1bs2 n GLU 444 Ca 0.08 -0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.62 1bs2 n GLU 444 Cb 0.54 -1.57 -0.07 0.00 0.27 0.00 0.00 31.44 30.61 1bs2 n GLU 444 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1bs2 n HIS 445 N -2.69 3.62 0.05 4.31 8.25 -1.12 -4.94 115.22 122.69 1bs2 n HIS 445 Ca -0.24 -4.03 -0.12 0.00 -0.26 0.00 0.00 57.72 53.06 1bs2 n HIS 445 Cb 1.01 -0.60 -0.06 0.00 1.12 0.00 0.00 29.99 31.46 1bs2 n HIS 445 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1bs2 h PRO 446 N 4.10 -0.49 -0.37 -0.41 0.11 -1.86 -1.83 132.00 131.26 1bs2 h PRO 446 Ca 0.19 0.03 0.07 0.00 0.11 0.00 0.00 66.00 66.41 1bs2 h PRO 446 Cb 0.64 0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.77 1bs2 h PRO 446 CO 0.87 -0.33 -0.35 0.93 -0.21 0.00 0.00 178.00 178.91 1bs2 h GLU 447 N -0.51 -0.28 -0.15 1.05 4.39 -1.99 0.26 114.58 117.34 1bs2 h GLU 447 Ca 0.06 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.81 1bs2 h GLU 447 Cb 0.60 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.29 1bs2 h GLU 447 CO -0.30 -0.19 -0.04 0.93 -1.16 0.00 0.00 179.01 178.25 1bs2 h GLU 448 N -0.29 -0.00 -0.73 2.33 3.07 -1.94 -1.79 114.58 115.22 1bs2 h GLU 448 Ca 0.16 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.00 1bs2 h GLU 448 Cb 0.56 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.43 1bs2 h GLU 448 CO -0.53 -0.00 0.39 0.28 -1.40 0.00 0.00 179.01 177.75 1bs2 h VAL 449 N -0.00 1.23 -0.73 3.13 2.07 -0.86 -2.46 116.25 118.62 1bs2 h VAL 449 Ca 0.07 -0.58 0.09 0.00 0.82 0.00 0.00 66.70 67.10 1bs2 h VAL 449 Cb 0.11 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 1bs2 h VAL 449 CO -0.16 0.25 0.38 0.00 0.02 0.00 0.00 177.57 178.07 1bs2 h ALA 450 N 1.20 1.02 -0.17 1.67 0.00 -0.01 0.17 119.26 123.13 1bs2 h ALA 450 Ca 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1bs2 h ALA 450 Cb 0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1bs2 h ALA 450 CO -0.04 -0.01 0.05 0.22 0.00 0.00 0.00 179.25 179.47 1bs2 h ASP 451 N 0.65 0.25 -0.18 0.00 3.58 -0.89 0.44 116.42 120.26 1bs2 h ASP 451 Ca 0.36 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.59 1bs2 h ASP 451 Cb 0.35 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1bs2 h ASP 451 CO -0.26 0.40 0.09 -0.07 -2.88 0.00 0.00 179.24 176.52 1bs2 h LEU 452 N 0.09 0.24 -0.59 2.28 3.38 -1.04 -0.93 115.31 118.75 1bs2 h LEU 452 Ca 0.05 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 1bs2 h LEU 452 Cb 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1bs2 h LEU 452 CO -0.00 0.30 -0.28 0.58 0.09 0.00 0.00 178.44 179.12 1bs2 h VAL 453 N 0.17 1.28 -0.34 1.22 2.07 -0.65 -1.28 116.25 118.72 1bs2 h VAL 453 Ca 0.06 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1bs2 h VAL 453 Cb 0.12 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1bs2 h VAL 453 CO -0.01 0.48 0.19 1.23 0.02 0.00 0.00 177.57 179.48 1bs2 h GLY 454 N 0.93 0.50 1.36 2.17 0.00 0.05 -0.66 103.07 107.41 1bs2 h GLY 454 Ca 0.08 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1bs2 h GLY 454 CO 0.07 0.21 -0.03 -2.22 0.00 0.00 0.00 176.54 174.57 1bs2 h ILE 455 N 0.43 1.25 -0.53 2.60 2.04 -1.07 -2.17 117.51 120.05 1bs2 h ILE 455 Ca 0.12 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.99 1bs2 h ILE 455 Cb 0.05 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.00 1bs2 h ILE 455 CO -0.02 0.36 0.26 0.28 0.00 0.00 0.00 178.15 179.03 1bs2 h SER 456 N 0.72 0.36 -0.31 1.72 0.02 -0.56 -1.29 113.55 114.21 1bs2 h SER 456 Ca 0.14 0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.18 1bs2 h SER 456 Cb 0.49 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.95 1bs2 h SER 456 CO 0.02 0.24 -0.01 0.00 -1.14 0.00 0.00 176.83 175.95 1bs2 h ALA 457 N 1.30 0.27 0.01 3.77 0.00 -0.52 -1.00 119.26 123.07 1bs2 h ALA 457 Ca 0.24 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.24 1bs2 h ALA 457 Cb 0.17 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1bs2 h ALA 457 CO -0.18 -0.42 -0.00 0.28 0.00 0.00 0.00 179.25 178.93 1bs2 h VAL 458 N 0.08 1.00 0.16 0.00 2.07 -1.00 -2.14 116.25 116.42 1bs2 h VAL 458 Ca 0.15 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1bs2 h VAL 458 Cb 0.20 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1bs2 h VAL 458 CO -0.26 0.01 -0.08 0.24 0.02 0.00 0.00 177.57 177.50 1bs2 h MET 459 N -0.02 -0.21 0.21 1.57 2.86 -1.01 -1.82 114.93 116.51 1bs2 h MET 459 Ca -0.00 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1bs2 h MET 459 Cb 0.02 0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1bs2 h MET 459 CO 0.00 -0.14 -0.13 0.82 1.06 0.00 0.00 176.91 178.52 1bs2 h ILE 460 N -0.22 0.72 -0.83 -1.22 1.08 -1.22 -1.21 117.51 114.62 1bs2 h ILE 460 Ca -0.02 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.58 1bs2 h ILE 460 Cb 0.17 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.58 1bs2 h ILE 460 CO 0.04 0.00 0.54 -0.61 -0.69 0.00 0.00 178.15 177.42 1bs2 h GLN 461 N -0.33 0.62 0.00 2.37 4.15 -1.38 -0.96 115.11 119.59 1bs2 h GLN 461 Ca -0.02 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1bs2 h GLN 461 Cb 0.28 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 1bs2 h GLN 461 CO 0.02 0.41 -0.54 0.22 -1.93 0.00 0.00 178.83 177.01 1bs2 h ASP 462 N 0.64 0.00 -0.38 -0.69 1.82 -0.83 -3.29 116.42 113.69 1bs2 h ASP 462 Ca 0.40 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.04 1bs2 h ASP 462 Cb 0.65 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.66 1bs2 h ASP 462 CO -0.16 0.54 0.00 0.23 -1.61 0.00 0.00 179.24 178.24 1bs2 n MET 463 N -3.44 2.37 0.10 0.28 2.81 -0.48 -4.61 117.12 114.14 1bs2 n MET 463 Ca 0.00 -2.17 -0.13 0.00 -1.81 0.00 0.00 57.70 53.59 1bs2 n MET 463 Cb 0.66 -1.45 -0.07 0.00 -0.71 0.00 0.00 33.22 31.65 1bs2 n MET 463 CO 0.00 0.00 0.00 1.96 1.51 0.00 0.00 175.97 179.44 1bs2 h GLN 464 N 3.81 -0.15 0.00 0.03 4.20 -1.31 -3.08 115.11 118.62 1bs2 h GLN 464 Ca 0.00 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 1bs2 h GLN 464 Cb 0.89 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1bs2 h GLN 464 CO 0.00 -0.10 -0.00 0.41 -0.67 0.00 0.00 178.83 178.47 1bs2 n GLY 465 N -1.15 2.03 3.75 3.46 0.00 -1.26 -4.58 105.19 107.44 1bs2 n GLY 465 Ca -0.08 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.43 1bs2 n GLY 465 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bs2 s LYS 466 N -2.10 3.04 0.25 1.61 -0.14 -1.26 -4.57 119.74 116.56 1bs2 s LYS 466 Ca 0.02 1.97 -0.05 0.00 -1.36 0.00 0.00 55.97 56.55 1bs2 s LYS 466 Cb -0.00 -2.06 0.32 0.00 -1.68 0.00 0.00 37.83 34.41 1bs2 s LYS 466 CO 0.01 -1.19 1.88 0.00 -0.76 0.00 0.00 175.35 175.30 1bs2 h ARG 467 N 1.12 1.11 0.00 1.68 3.08 -1.92 -2.71 114.38 116.73 1bs2 h ARG 467 Ca -0.51 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.47 1bs2 h ARG 467 Cb 1.30 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 31.10 1bs2 h ARG 467 CO 0.56 0.74 -0.03 0.82 -1.07 0.00 0.00 179.97 180.99 1bs2 h ILE 468 N 1.15 0.13 -3.47 2.04 5.03 -1.89 0.42 117.51 120.91 1bs2 h ILE 468 Ca 0.38 -0.36 -0.53 0.00 -0.12 0.00 0.00 64.86 64.23 1bs2 h ILE 468 Cb 0.05 1.31 -0.03 0.00 -3.03 0.00 0.00 36.82 35.13 1bs2 h ILE 468 CO -0.14 0.03 0.27 0.20 -0.68 0.00 0.00 178.15 177.83 1bs2 s ASN 469 N -5.61 7.33 0.42 1.72 0.02 -1.03 -2.77 114.94 115.03 1bs2 s ASN 469 Ca -0.02 1.60 -0.26 0.00 -1.02 0.00 0.00 52.86 53.17 1bs2 s ASN 469 Cb 0.11 -2.53 -0.08 0.00 0.02 0.00 0.00 41.25 38.77 1bs2 s ASN 469 CO 0.51 -0.08 1.28 0.20 0.02 0.00 0.00 177.10 179.04 1bs2 s ASN 470 N 0.23 6.26 0.04 -1.22 0.01 -1.26 -4.39 114.94 114.61 1bs2 s ASN 470 Ca 0.44 2.61 0.02 0.00 -0.71 0.00 0.00 52.86 55.22 1bs2 s ASN 470 Cb -0.21 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.79 1bs2 s ASN 470 CO 0.26 -0.88 -0.07 -0.72 -1.51 0.00 0.00 177.10 174.18 1bs2 s TYR 471 N -1.29 0.63 -0.11 2.20 -0.85 -1.11 -4.96 117.35 111.85 1bs2 s TYR 471 Ca 0.58 -0.54 -0.20 0.00 -0.52 0.00 0.00 57.07 56.39 1bs2 s TYR 471 Cb -0.37 -0.38 -0.04 0.00 0.38 0.00 0.00 41.96 41.55 1bs2 s TYR 471 CO 0.47 -0.11 0.57 -2.00 -1.52 0.00 0.00 175.55 172.97 1bs2 s GLU 472 N -1.75 4.35 -0.64 -3.49 2.12 -1.26 -0.87 118.70 117.16 1bs2 s GLU 472 Ca -0.09 0.61 -0.28 0.00 0.36 0.00 0.00 54.97 55.58 1bs2 s GLU 472 Cb -0.09 -3.46 0.03 0.00 0.26 0.00 0.00 34.13 30.87 1bs2 s GLU 472 CO -0.00 0.06 1.28 0.12 -0.54 0.00 0.00 175.26 176.18 1bs2 s PHE 473 N 0.89 2.41 -0.42 5.30 2.19 -0.25 -4.90 117.98 123.20 1bs2 s PHE 473 Ca 0.30 0.26 -0.06 0.00 0.33 0.00 0.00 56.93 57.75 1bs2 s PHE 473 Cb -0.16 -4.53 0.10 0.00 -1.31 0.00 0.00 43.02 37.12 1bs2 s PHE 473 CO 0.13 -1.86 0.24 0.15 1.83 0.00 0.00 175.22 175.71 1bs2 s LYS 474 N 5.40 2.36 0.16 10.12 1.02 -1.26 -4.68 119.74 132.85 1bs2 s LYS 474 Ca 0.42 -1.64 -0.19 0.00 0.02 0.00 0.00 55.97 54.58 1bs2 s LYS 474 Cb -0.08 -3.70 0.06 0.00 -0.52 0.00 0.00 37.83 33.59 1bs2 s LYS 474 CO 0.21 -1.02 1.66 -1.49 -0.92 0.00 0.00 175.35 173.79 1bs2 h TRP 475 N 8.26 -0.33 0.57 3.18 4.06 -1.97 -0.40 115.95 129.33 1bs2 h TRP 475 Ca -0.19 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.78 1bs2 h TRP 475 Cb 1.07 0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 29.41 1bs2 h TRP 475 CO 0.60 -0.21 -0.45 1.05 -3.56 0.00 0.00 178.44 175.87 1bs2 h GLU 476 N -0.08 -0.96 -0.72 0.49 9.09 -2.00 -2.49 114.58 117.90 1bs2 h GLU 476 Ca 0.16 0.07 -0.05 0.00 0.05 0.00 0.00 59.36 59.58 1bs2 h GLU 476 Cb 0.33 0.22 -0.03 0.00 -1.65 0.00 0.00 28.75 27.62 1bs2 h GLU 476 CO -0.38 -0.64 0.24 -0.09 0.05 0.00 0.00 179.01 178.19 1bs2 h ARG 477 N -1.00 1.11 -0.08 1.06 2.43 -1.96 -3.09 114.38 112.86 1bs2 h ARG 477 Ca -0.07 -0.23 -0.17 0.00 -0.81 0.00 0.00 59.98 58.71 1bs2 h ARG 477 Cb 0.84 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 1bs2 h ARG 477 CO 0.01 0.94 -0.67 0.00 -1.51 0.00 0.00 179.97 178.73 1bs2 h MET 478 N 1.07 0.35 0.00 0.20 -0.00 -1.06 -3.25 114.93 112.24 1bs2 h MET 478 Ca 0.24 -0.27 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1bs2 h MET 478 Cb 0.28 0.05 0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1bs2 h MET 478 CO -0.01 0.90 -0.21 -0.07 -0.00 0.00 0.00 176.91 177.52 1bs2 h LEU 479 N 0.25 0.00-10.15 -0.10 3.38 -1.47 -3.38 115.31 103.84 1bs2 h LEU 479 Ca -0.02 -0.02 -0.55 0.00 0.09 0.00 0.00 57.88 57.39 1bs2 h LEU 479 Cb 1.22 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.14 1bs2 h LEU 479 CO 0.11 0.01 0.44 -0.55 0.09 0.00 0.00 178.44 178.54 1bs2 s SER 480 N -5.58 4.16 -0.03 -0.43 0.15 -1.17 -4.74 113.70 106.06 1bs2 s SER 480 Ca 0.06 2.50 0.15 0.00 0.70 0.00 0.00 55.95 59.37 1bs2 s SER 480 Cb 0.08 -2.60 0.48 0.00 -1.71 0.00 0.00 66.02 62.27 1bs2 s SER 480 CO 0.68 -2.30 1.39 0.49 1.20 0.00 0.00 173.24 174.70 1bs2 n PHE 481 N -2.54 0.83 0.00 3.44 3.01 -1.26 -4.40 117.46 116.55 1bs2 n PHE 481 Ca 0.15 -0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1bs2 n PHE 481 Cb 0.49 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 39.90 1bs2 n PHE 481 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bs2 n GLU 482 N 0.95 0.00 0.00 -1.08 -0.58 -1.26 -4.60 120.64 114.06 1bs2 n GLU 482 Ca 0.18 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.92 1bs2 n GLU 482 Cb 0.52 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.39 1bs2 n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1bs2 n GLY 483 N 3.15 -2.78 3.45 0.62 0.00 -1.26 -4.75 105.19 103.63 1bs2 n GLY 483 Ca 0.00 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.49 1bs2 n GLY 483 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bs2 n ASP 484 N 0.00 4.96 -4.73 1.61 8.00 -1.26 -4.73 116.55 120.40 1bs2 n ASP 484 Ca 0.00 -2.94 -0.26 0.00 0.71 0.00 0.00 54.79 52.30 1bs2 n ASP 484 Cb 0.00 -1.67 -0.08 0.00 -0.02 0.00 0.00 41.12 39.35 1bs2 n ASP 484 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1bs2 s THR 485 N 3.14 2.16 0.09 -3.53 -4.23 -1.26 -4.94 115.64 107.07 1bs2 s THR 485 Ca 0.49 -1.75 -0.24 0.00 -1.18 0.00 0.00 61.69 59.01 1bs2 s THR 485 Cb 0.03 -2.91 -0.15 0.00 1.34 0.00 0.00 72.50 70.80 1bs2 s THR 485 CO 0.04 0.00 1.72 1.23 -0.54 0.00 0.00 174.62 177.07 1bs2 h GLY 486 N 1.44 -0.14 1.34 3.99 0.00 -1.79 -1.93 103.07 105.98 1bs2 h GLY 486 Ca -0.43 0.05 0.09 0.00 0.00 0.00 0.00 47.33 47.05 1bs2 h GLY 486 CO 0.71 -0.05 0.25 -2.55 0.00 0.00 0.00 176.54 174.90 1bs2 h PRO 487 N -0.13 0.06 -0.55 4.80 0.11 -1.79 -1.36 132.00 133.14 1bs2 h PRO 487 Ca -0.01 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 1bs2 h PRO 487 Cb 0.11 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.18 1bs2 h PRO 487 CO 0.02 0.04 0.21 -0.92 -0.21 0.00 0.00 178.00 177.14 1bs2 h TYR 488 N 0.07 0.84 -0.29 0.65 3.20 -1.56 -1.47 116.97 118.41 1bs2 h TYR 488 Ca 0.16 -0.07 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 1bs2 h TYR 488 Cb 0.57 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1bs2 h TYR 488 CO -0.00 0.69 0.01 -0.07 -1.64 0.00 0.00 178.16 177.15 1bs2 h LEU 489 N 0.75 0.49 0.14 2.82 3.38 -0.98 -2.13 115.31 119.79 1bs2 h LEU 489 Ca 0.18 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1bs2 h LEU 489 Cb 0.21 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1bs2 h LEU 489 CO -0.01 0.67 -0.26 1.56 0.09 0.00 0.00 178.44 180.48 1bs2 h GLN 490 N 0.30 -0.47 -0.30 1.13 1.08 -1.20 0.99 115.11 116.62 1bs2 h GLN 490 Ca 0.08 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 1bs2 h GLN 490 Cb 0.41 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1bs2 h GLN 490 CO 0.01 -0.31 0.20 -0.92 -0.95 0.00 0.00 178.83 176.86 1bs2 h TYR 491 N -0.49 0.36 -0.28 2.96 3.20 -1.29 -0.41 116.97 121.02 1bs2 h TYR 491 Ca 0.02 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.80 1bs2 h TYR 491 Cb 0.50 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1bs2 h TYR 491 CO -0.23 0.22 -0.21 0.00 -1.64 0.00 0.00 178.16 176.31 1bs2 h ALA 492 N 1.81 0.40 -0.46 1.82 0.00 -0.72 -0.57 119.26 121.55 1bs2 h ALA 492 Ca 0.12 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1bs2 h ALA 492 Cb 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1bs2 h ALA 492 CO -0.03 0.35 0.26 1.25 0.00 0.00 0.00 179.25 181.08 1bs2 h HIS 493 N 0.37 0.62 -0.25 0.00 -0.00 -0.01 -0.22 115.15 115.65 1bs2 h HIS 493 Ca 0.05 -0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.45 1bs2 h HIS 493 Cb 0.75 -0.20 -0.03 0.00 -0.00 0.00 0.00 27.41 27.93 1bs2 h HIS 493 CO 0.07 0.45 0.04 0.77 -0.00 0.00 0.00 177.93 179.25 1bs2 h SER 494 N 0.61 -0.01 0.05 3.26 0.02 -0.95 0.52 113.55 117.04 1bs2 h SER 494 Ca 0.16 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1bs2 h SER 494 Cb 0.02 0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1bs2 h SER 494 CO -0.03 0.03 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.57 1bs2 h ARG 495 N 0.13 -0.07 -0.41 3.45 2.43 -0.79 -0.02 114.38 119.10 1bs2 h ARG 495 Ca 0.12 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1bs2 h ARG 495 Cb 0.12 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 29.65 1bs2 h ARG 495 CO -0.16 -0.02 0.15 -0.07 -1.51 0.00 0.00 179.97 178.36 1bs2 h LEU 496 N -0.10 0.18 -0.41 3.80 3.38 -0.65 -0.74 115.31 120.78 1bs2 h LEU 496 Ca -0.01 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.05 1bs2 h LEU 496 Cb 0.08 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 40.80 1bs2 h LEU 496 CO 0.01 0.14 0.14 -0.09 0.09 0.00 0.00 178.44 178.73 1bs2 h ARG 497 N 0.32 0.29 -0.50 1.13 2.43 0.38 -1.24 114.38 117.19 1bs2 h ARG 497 Ca 0.19 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.34 1bs2 h ARG 497 Cb 0.16 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1bs2 h ARG 497 CO -0.18 0.19 0.30 0.66 -1.51 0.00 0.00 179.97 179.43 1bs2 h SER 498 N 0.30 0.59 -0.18 -3.80 4.64 -0.28 -2.07 113.55 112.76 1bs2 h SER 498 Ca 0.19 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.45 1bs2 h SER 498 Cb 0.18 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1bs2 h SER 498 CO -0.19 0.46 0.05 0.58 -0.87 0.00 0.00 176.83 176.86 1bs2 h VAL 499 N 0.69 1.14 0.00 0.95 2.07 0.05 0.29 116.25 121.44 1bs2 h VAL 499 Ca 0.18 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1bs2 h VAL 499 Cb -0.02 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1bs2 h VAL 499 CO -0.03 0.17 -0.00 -0.33 0.02 0.00 0.00 177.57 177.39 1bs2 h GLU 500 N 0.37 0.00 -6.82 1.57 5.08 -0.99 -3.46 114.58 110.33 1bs2 h GLU 500 Ca 0.09 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.96 1bs2 h GLU 500 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1bs2 h GLU 500 CO -0.00 0.00 -0.94 2.89 -1.00 0.00 0.00 179.01 179.96 1bs2 n ARG 501 N -3.14 -0.78 -2.63 2.33 1.85 0.09 -3.91 116.66 110.46 1bs2 n ARG 501 Ca -0.02 0.29 -0.05 0.00 -1.00 0.00 0.00 57.85 57.06 1bs2 n ARG 501 Cb 0.11 -1.99 -0.05 0.00 -1.05 0.00 0.00 32.46 29.48 1bs2 n ARG 501 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1bs2 n ASN 502 N -1.99 -0.82 -4.25 2.89 4.05 -1.26 -4.94 115.26 108.93 1bs2 n ASN 502 Ca -0.19 1.34 -0.43 0.00 0.45 0.00 0.00 54.58 55.75 1bs2 n ASN 502 Cb 0.55 -5.10 -0.06 0.00 1.23 0.00 0.00 39.78 36.40 1bs2 n ASN 502 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1bs2 s ALA 503 N -0.66 3.66 0.97 5.20 0.00 -1.25 -5.06 121.76 124.63 1bs2 s ALA 503 Ca -0.27 -2.83 -0.11 0.00 0.00 0.00 0.00 51.96 48.74 1bs2 s ALA 503 Cb 0.02 -3.10 0.15 0.00 0.00 0.00 0.00 23.12 20.19 1bs2 s ALA 503 CO 0.76 -2.06 0.96 0.43 0.00 0.00 0.00 175.76 175.85 1bs2 n SER 504 N 4.58 -0.50 -0.22 0.00 7.64 -1.26 -4.64 113.62 119.21 1bs2 n SER 504 Ca -0.02 0.29 0.03 0.00 1.01 0.00 0.00 58.87 60.18 1bs2 n SER 504 Cb 0.42 -1.38 0.27 0.00 -1.01 0.00 0.00 64.21 62.51 1bs2 n SER 504 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1bs2 h GLY 505 N -1.98 1.09 2.00 0.23 0.00 -2.00 -0.98 103.07 101.42 1bs2 h GLY 505 Ca -0.46 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1bs2 h GLY 505 CO 0.41 0.33 -0.20 0.16 0.00 0.00 0.00 176.54 177.24 1bs2 h ILE 506 N 0.95 0.37 0.00 2.60 3.07 -2.00 -3.20 117.51 119.31 1bs2 h ILE 506 Ca 0.31 -1.35 -0.03 0.00 1.55 0.00 0.00 64.86 65.34 1bs2 h ILE 506 Cb 0.04 2.04 0.00 0.00 -0.27 0.00 0.00 36.82 38.64 1bs2 h ILE 506 CO -0.09 0.19 -0.11 0.74 -1.05 0.00 0.00 178.15 177.83 1bs2 h THR 507 N 0.00 1.63 0.00 0.16 2.02 -1.55 -2.79 112.91 112.38 1bs2 h THR 507 Ca -0.00 -2.00 0.00 0.00 0.77 0.00 0.00 66.41 65.18 1bs2 h THR 507 Cb 1.03 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1bs2 h THR 507 CO 0.03 0.53 0.00 -0.61 0.37 0.00 0.00 175.52 175.84 1bs2 h GLN 508 N -0.72 0.00 -0.10 6.66 4.15 -1.37 0.27 115.11 124.00 1bs2 h GLN 508 Ca -0.02 0.00 -0.24 0.00 0.77 0.00 0.00 58.65 59.17 1bs2 h GLN 508 Cb 0.93 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.63 1bs2 h GLN 508 CO 0.02 0.00 -0.87 1.49 -1.93 0.00 0.00 178.83 177.54 1bs2 h GLU 509 N 0.00 0.74 0.00 1.69 4.57 -1.52 -2.91 114.58 117.15 1bs2 h GLU 509 Ca 0.00 -0.67 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1bs2 h GLU 509 Cb 0.03 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1bs2 h GLU 509 CO 0.00 1.27 0.00 1.57 -1.18 0.00 0.00 179.01 180.67 1bs2 h LYS 510 N 0.48 0.00 -0.34 1.92 2.10 -0.70 -2.88 116.57 117.15 1bs2 h LYS 510 Ca -0.08 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.48 1bs2 h LYS 510 Cb 1.50 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.82 1bs2 h LYS 510 CO 0.17 0.00 -0.15 -1.49 -2.00 0.00 0.00 179.45 175.99 1bs2 h TRP 511 N 0.00 0.80 -0.03 0.07 6.55 -1.23 -1.10 115.95 121.00 1bs2 h TRP 511 Ca 0.00 -0.19 0.01 0.00 0.95 0.00 0.00 58.89 59.65 1bs2 h TRP 511 Cb 0.73 -0.19 -0.00 0.00 -0.86 0.00 0.00 29.16 28.85 1bs2 h TRP 511 CO 0.00 0.90 0.05 0.82 -1.05 0.00 0.00 178.44 179.15 1bs2 h ILE 512 N 0.47 0.37 -0.25 1.49 2.04 -1.32 -1.79 117.51 118.52 1bs2 h ILE 512 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1bs2 h ILE 512 Cb 0.68 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 1bs2 h ILE 512 CO 0.05 0.00 0.00 0.59 0.00 0.00 0.00 178.15 178.79 1bs2 n ASN 513 N -3.61 2.66 -4.57 1.72 3.02 -0.96 -4.79 115.26 108.73 1bs2 n ASN 513 Ca -0.02 -1.82 -0.33 0.00 -0.03 0.00 0.00 54.58 52.39 1bs2 n ASN 513 Cb 0.13 -0.16 0.14 0.00 -0.61 0.00 0.00 39.78 39.28 1bs2 n ASN 513 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bs2 n ALA 514 N 0.67 -1.37 -2.82 5.41 0.00 -0.46 -4.86 120.51 117.08 1bs2 n ALA 514 Ca 0.11 -0.51 -0.43 0.00 0.00 0.00 0.00 53.44 52.61 1bs2 n ALA 514 Cb 0.40 -2.04 -0.01 0.00 0.00 0.00 0.00 19.45 17.80 1bs2 n ALA 514 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1bs2 s ASP 515 N -2.22 6.83 0.59 0.00 2.15 -1.26 -4.83 116.67 117.93 1bs2 s ASP 515 Ca 0.64 -2.43 0.30 0.00 0.43 0.00 0.00 52.55 51.50 1bs2 s ASP 515 Cb -0.24 -2.46 1.65 0.00 -0.30 0.00 0.00 42.92 41.57 1bs2 s ASP 515 CO 0.60 -1.02 1.91 -0.26 -0.17 0.00 0.00 175.17 176.24 1bs2 h PHE 516 N 8.04 0.00 0.00 -5.34 0.04 -1.93 -0.61 116.94 117.15 1bs2 h PHE 516 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1bs2 h PHE 516 Cb 0.93 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.08 1bs2 h PHE 516 CO 1.21 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 179.58 1bs2 h SER 517 N 0.00 0.00 1.04 2.17 4.64 -1.95 0.09 113.55 119.54 1bs2 h SER 517 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bs2 h SER 517 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1bs2 h SER 517 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 1bs2 n LEU 518 N -2.65 0.36 -3.48 5.97 4.77 -0.24 -3.93 117.00 117.80 1bs2 n LEU 518 Ca -0.01 0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 56.12 1bs2 n LEU 518 Cb 0.13 -0.45 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1bs2 n LEU 518 CO 0.18 -0.17 2.53 0.18 -1.33 0.00 0.00 177.39 178.77 1bs2 n LEU 519 N -1.85 8.07 0.08 2.23 4.77 0.02 -4.64 117.00 125.68 1bs2 n LEU 519 Ca 0.05 -4.79 0.12 0.00 -0.03 0.00 0.00 56.01 51.36 1bs2 n LEU 519 Cb 0.33 -1.40 0.16 0.00 -2.33 0.00 0.00 43.42 40.18 1bs2 n LEU 519 CO 0.25 2.01 0.38 0.07 -1.33 0.00 0.00 177.39 178.77 1bs2 h LYS 520 N 4.74 0.00 -6.83 3.23 2.10 -1.81 -3.42 116.57 114.59 1bs2 h LYS 520 Ca 0.71 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.83 1bs2 h LYS 520 Cb 0.32 0.00 0.07 0.00 -0.90 0.00 0.00 32.23 31.72 1bs2 h LYS 520 CO 1.54 0.00 0.74 -1.21 -2.00 0.00 0.00 179.45 178.52 1bs2 s GLU 521 N -3.20 4.24 0.26 0.07 8.01 -1.26 -4.85 118.70 121.97 1bs2 s GLU 521 Ca 0.06 2.36 -0.02 0.00 0.01 0.00 0.00 54.97 57.38 1bs2 s GLU 521 Cb 0.12 -3.06 0.48 0.00 -4.31 0.00 0.00 34.13 27.36 1bs2 s GLU 521 CO 0.72 -0.40 1.78 -1.35 0.01 0.00 0.00 175.26 176.02 1bs2 h PRO 522 N 4.15 0.68 -0.86 0.39 0.11 -1.99 0.15 132.00 134.64 1bs2 h PRO 522 Ca -0.48 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.73 1bs2 h PRO 522 Cb 1.22 -0.15 -0.07 0.00 0.11 0.00 0.00 31.00 32.12 1bs2 h PRO 522 CO 0.72 0.45 0.56 0.00 -0.21 0.00 0.00 178.00 179.52 1bs2 h ALA 523 N 1.52 1.86 -0.05 -0.75 0.00 -1.96 -0.36 119.26 119.50 1bs2 h ALA 523 Ca 0.44 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 55.24 1bs2 h ALA 523 Cb 0.53 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1bs2 h ALA 523 CO -0.31 -0.08 -0.42 0.00 0.00 0.00 0.00 179.25 178.44 1bs2 h ALA 524 N 1.60 0.12 -0.94 0.00 0.00 -1.10 -3.05 119.26 115.89 1bs2 h ALA 524 Ca 0.43 -0.49 0.13 0.00 0.00 0.00 0.00 54.91 54.97 1bs2 h ALA 524 Cb 0.69 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1bs2 h ALA 524 CO -0.18 0.26 0.60 0.87 0.00 0.00 0.00 179.25 180.79 1bs2 h LYS 525 N -0.12 0.84 -0.56 0.00 1.57 -0.03 -1.13 116.57 117.14 1bs2 h LYS 525 Ca -0.04 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1bs2 h LYS 525 Cb 1.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.20 1bs2 h LYS 525 CO 0.09 0.55 -0.06 -0.07 -0.57 0.00 0.00 179.45 179.39 1bs2 h LEU 526 N 0.86 1.01 -0.19 2.94 3.38 -1.12 -0.86 115.31 121.34 1bs2 h LEU 526 Ca 0.47 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 1bs2 h LEU 526 Cb 0.57 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1bs2 h LEU 526 CO -0.23 1.10 -0.03 0.25 0.09 0.00 0.00 178.44 179.62 1bs2 h LEU 527 N 0.92 0.35 -0.51 1.67 5.85 -1.20 -1.07 115.31 121.32 1bs2 h LEU 527 Ca 0.15 -0.35 0.05 0.00 0.84 0.00 0.00 57.88 58.58 1bs2 h LEU 527 Cb 0.62 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 1bs2 h LEU 527 CO 0.04 0.62 0.23 0.40 -0.34 0.00 0.00 178.44 179.39 1bs2 h ILE 528 N 0.08 0.90 0.08 4.05 2.04 -1.14 0.63 117.51 124.16 1bs2 h ILE 528 Ca 0.05 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.78 1bs2 h ILE 528 Cb 0.45 0.42 -0.05 0.00 -0.74 0.00 0.00 36.82 36.91 1bs2 h ILE 528 CO 0.02 0.08 -0.36 -0.09 0.00 0.00 0.00 178.15 177.80 1bs2 h ARG 529 N 0.45 -0.55 -0.42 2.37 9.65 -1.06 -1.90 114.38 122.92 1bs2 h ARG 529 Ca 0.23 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 59.23 1bs2 h ARG 529 Cb 0.19 0.12 -0.08 0.00 -1.39 0.00 0.00 29.97 28.81 1bs2 h ARG 529 CO -0.19 -0.36 -0.10 1.25 2.80 0.00 0.00 179.97 183.36 1bs2 h LEU 530 N -0.57 -0.38 -1.30 3.80 5.85 0.20 -1.94 115.31 120.97 1bs2 h LEU 530 Ca 0.04 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1bs2 h LEU 530 Cb 0.61 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1bs2 h LEU 530 CO -0.23 -0.14 0.49 -0.07 -0.34 0.00 0.00 178.44 178.15 1bs2 h LEU 531 N 0.01 0.79 -0.68 2.25 3.38 0.61 -1.34 115.31 120.32 1bs2 h LEU 531 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1bs2 h LEU 531 Cb 0.31 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1bs2 h LEU 531 CO -0.43 0.55 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1bs2 n GLY 532 N -1.43 -1.18 0.06 0.83 0.00 -0.74 -2.99 105.19 99.73 1bs2 n GLY 532 Ca 0.09 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.32 1bs2 n GLY 532 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1bs2 n GLN 533 N -2.14 0.20 -0.12 1.61 6.02 -0.51 -4.38 117.38 118.06 1bs2 n GLN 533 Ca 0.02 0.09 -0.05 0.00 -0.01 0.00 0.00 57.00 57.05 1bs2 n GLN 533 Cb 0.20 -1.66 0.02 0.00 1.02 0.00 0.00 30.24 29.81 1bs2 n GLN 533 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 1bs2 h TYR 534 N 0.00 -0.23 -0.73 1.08 3.20 -1.63 -0.46 116.97 118.20 1bs2 h TYR 534 Ca 0.00 0.04 0.07 0.00 3.14 0.00 0.00 58.73 61.98 1bs2 h TYR 534 Cb 0.67 0.17 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 1bs2 h TYR 534 CO 0.00 -0.18 0.41 -1.35 -1.64 0.00 0.00 178.16 175.40 1bs2 h PRO 535 N -0.01 0.72 -0.36 1.82 0.11 -1.81 -1.28 132.00 131.19 1bs2 h PRO 535 Ca 0.20 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.20 1bs2 h PRO 535 Cb 0.31 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1bs2 h PRO 535 CO -0.43 0.47 -0.05 0.22 -0.21 0.00 0.00 178.00 178.01 1bs2 h ASP 536 N 0.74 0.57 -0.09 -2.05 3.58 -1.63 -1.93 116.42 115.60 1bs2 h ASP 536 Ca 0.34 -0.13 0.01 0.00 0.42 0.00 0.00 57.03 57.66 1bs2 h ASP 536 Cb 0.24 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 1bs2 h ASP 536 CO -0.20 0.67 0.02 0.58 -2.88 0.00 0.00 179.24 177.43 1bs2 h VAL 537 N 0.56 0.97 -0.37 2.25 2.07 0.04 -0.55 116.25 121.22 1bs2 h VAL 537 Ca 0.11 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1bs2 h VAL 537 Cb 0.43 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1bs2 h VAL 537 CO 0.02 0.01 0.20 -0.07 0.02 0.00 0.00 177.57 177.75 1bs2 h LEU 538 N 0.06 0.47 -0.76 2.57 3.38 -1.19 -1.00 115.31 118.85 1bs2 h LEU 538 Ca 0.04 -0.09 0.10 0.00 0.09 0.00 0.00 57.88 58.01 1bs2 h LEU 538 Cb 0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 1bs2 h LEU 538 CO -0.04 0.43 0.39 -0.09 0.09 0.00 0.00 178.44 179.21 1bs2 h ARG 539 N 0.47 0.63 -0.34 1.13 2.43 -1.04 -2.05 114.38 115.61 1bs2 h ARG 539 Ca 0.13 -0.04 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 1bs2 h ARG 539 Cb 0.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1bs2 h ARG 539 CO -0.02 0.42 -0.41 -0.97 -1.51 0.00 0.00 179.97 177.47 1bs2 h ASN 540 N 0.65 0.91 -0.47 -3.80 -1.24 -0.69 -3.20 115.58 107.74 1bs2 h ASN 540 Ca 0.38 -0.43 -0.03 0.00 0.71 0.00 0.00 56.30 56.93 1bs2 h ASN 540 Cb 0.40 -0.26 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 1bs2 h ASN 540 CO -0.28 1.20 0.20 0.00 -1.29 0.00 0.00 177.43 177.26 1bs2 h ALA 541 N 0.84 1.37 0.00 1.57 0.00 -0.50 -1.90 119.26 120.63 1bs2 h ALA 541 Ca 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bs2 h ALA 541 Cb 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1bs2 h ALA 541 CO 0.10 0.47 0.00 0.97 0.00 0.00 0.00 179.25 180.79 1bs2 h ILE 542 N 0.74 0.00 0.00 0.00 2.10 -1.50 2.05 117.51 120.91 1bs2 h ILE 542 Ca 0.18 -0.74 -0.08 0.00 1.08 0.00 0.00 64.86 65.29 1bs2 h ILE 542 Cb 0.17 1.74 -0.01 0.00 -1.09 0.00 0.00 36.82 37.62 1bs2 h ILE 542 CO -0.02 0.00 -0.39 0.50 -1.08 0.00 0.00 178.15 177.17 1bs2 h LYS 543 N 0.00 0.00 0.00 2.19 3.64 -1.35 -3.34 116.57 117.71 1bs2 h LYS 543 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bs2 h LYS 543 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1bs2 h LYS 543 CO 0.00 0.39 -0.23 0.25 -2.27 0.00 0.00 179.45 177.59 1bs2 n THR 544 N -3.30 0.00 -2.83 1.00 -2.24 -0.88 -5.01 114.28 101.02 1bs2 n THR 544 Ca 0.01 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.23 1bs2 n THR 544 Cb 0.62 0.87 0.01 0.00 -2.10 0.00 0.00 70.33 69.73 1bs2 n THR 544 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1bs2 n HIS 545 N -1.06 -1.63 -4.05 4.78 8.25 0.69 -4.96 115.22 117.23 1bs2 n HIS 545 Ca 0.00 0.32 -0.33 0.00 -0.26 0.00 0.00 57.72 57.45 1bs2 n HIS 545 Cb 0.00 -4.01 -0.15 0.00 1.12 0.00 0.00 29.99 26.95 1bs2 n HIS 545 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1bs2 s GLU 546 N -5.49 2.56 0.42 -0.41 0.41 -1.14 -4.95 118.70 110.08 1bs2 s GLU 546 Ca 0.20 -1.14 0.29 0.00 -0.41 0.00 0.00 54.97 53.91 1bs2 s GLU 546 Cb -0.09 -2.84 1.07 0.00 -1.78 0.00 0.00 34.13 30.49 1bs2 s GLU 546 CO 0.25 -0.45 1.84 -1.00 -0.49 0.00 0.00 175.26 175.41 1bs2 h PRO 547 N 7.87 0.00 -0.74 0.39 0.13 -1.89 -3.30 132.00 134.47 1bs2 h PRO 547 Ca -0.29 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.97 1bs2 h PRO 547 Cb 1.08 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.08 1bs2 h PRO 547 CO 0.53 0.00 -0.33 1.15 -0.23 0.00 0.00 178.00 179.12 1bs2 h THR 548 N 0.00 0.12 -0.92 1.56 2.02 -1.78 0.17 112.91 114.08 1bs2 h THR 548 Ca 0.00 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.44 1bs2 h THR 548 Cb 0.55 0.12 -0.16 0.00 -1.74 0.00 0.00 68.15 66.92 1bs2 h THR 548 CO 0.00 0.00 0.13 0.74 0.37 0.00 0.00 175.52 176.76 1bs2 h THR 549 N -0.09 0.16 -0.09 3.16 2.02 -1.89 0.90 112.91 117.07 1bs2 h THR 549 Ca 0.29 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.37 1bs2 h THR 549 Cb 0.57 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1bs2 h THR 549 CO -0.79 0.02 -0.21 0.58 0.37 0.00 0.00 175.52 175.48 1bs2 h VAL 550 N 0.08 1.41 -0.78 3.16 2.07 -0.96 -1.52 116.25 119.71 1bs2 h VAL 550 Ca 0.58 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1bs2 h VAL 550 Cb 1.20 2.19 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 1bs2 h VAL 550 CO -0.79 0.44 0.47 0.58 0.02 0.00 0.00 177.57 178.29 1bs2 h VAL 551 N -0.17 1.22 -0.43 2.57 2.07 0.42 0.14 116.25 122.08 1bs2 h VAL 551 Ca -0.00 -0.48 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 1bs2 h VAL 551 Cb 0.82 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1bs2 h VAL 551 CO 0.05 0.23 -0.15 0.74 0.02 0.00 0.00 177.57 178.46 1bs2 h THR 552 N 1.07 1.26 -0.32 2.57 2.02 0.71 -2.58 112.91 117.64 1bs2 h THR 552 Ca 0.28 -1.24 -0.04 0.00 0.77 0.00 0.00 66.41 66.19 1bs2 h THR 552 Cb -0.04 1.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1bs2 h THR 552 CO -0.05 0.42 0.06 0.22 0.37 0.00 0.00 175.52 176.54 1bs2 h TYR 553 N 0.71 0.56 -0.26 3.16 3.20 -0.58 -2.38 116.97 121.38 1bs2 h TYR 553 Ca 0.11 -0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1bs2 h TYR 553 Cb 0.65 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1bs2 h TYR 553 CO 0.03 0.59 0.04 -0.07 -1.64 0.00 0.00 178.16 177.12 1bs2 h LEU 554 N 0.36 0.34 -0.35 2.82 3.38 -0.87 -1.34 115.31 119.65 1bs2 h LEU 554 Ca 0.10 -0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.84 1bs2 h LEU 554 Cb 0.33 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1bs2 h LEU 554 CO 0.00 0.37 -0.83 -0.26 0.09 0.00 0.00 178.44 177.82 1bs2 h PHE 555 N 0.37 0.30 -0.66 1.13 0.04 -1.33 -1.71 116.94 115.07 1bs2 h PHE 555 Ca 0.09 -0.16 -0.06 0.00 2.80 0.00 0.00 57.97 60.64 1bs2 h PHE 555 Cb 0.19 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1bs2 h PHE 555 CO 0.00 0.94 0.17 0.87 -0.60 0.00 0.00 178.31 179.69 1bs2 h LYS 556 N 0.12 1.05 0.40 1.51 1.57 -0.89 -1.52 116.57 118.82 1bs2 h LYS 556 Ca -0.04 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.49 1bs2 h LYS 556 Cb 1.43 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1bs2 h LYS 556 CO 0.13 0.92 -0.19 1.25 -0.57 0.00 0.00 179.45 180.99 1bs2 h LEU 557 N 1.00 -0.46 -0.97 2.94 6.46 -1.06 -1.45 115.31 121.77 1bs2 h LEU 557 Ca 0.21 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1bs2 h LEU 557 Cb 0.34 0.12 -0.05 0.00 -0.73 0.00 0.00 40.66 40.35 1bs2 h LEU 557 CO 0.00 -0.25 0.61 0.71 -0.62 0.00 0.00 178.44 178.89 1bs2 h THR 558 N -0.64 1.26 -0.25 1.05 1.35 -1.23 -0.67 112.91 113.78 1bs2 h THR 558 Ca -0.06 -0.52 -0.09 0.00 -0.55 0.00 0.00 66.41 65.20 1bs2 h THR 558 Cb 0.47 -0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.74 1bs2 h THR 558 CO 0.09 0.26 -0.24 0.45 -0.25 0.00 0.00 175.52 175.84 1bs2 h HIS 559 N 1.33 0.53 -0.18 4.73 3.86 -1.18 -0.40 115.15 123.84 1bs2 h HIS 559 Ca 0.35 -0.11 -0.22 0.00 -1.16 0.00 0.00 60.37 59.24 1bs2 h HIS 559 Cb -0.10 -0.13 0.01 0.00 1.06 0.00 0.00 27.41 28.24 1bs2 h HIS 559 CO 0.00 0.68 -0.73 0.37 0.86 0.00 0.00 177.93 179.11 1bs2 h GLN 560 N 0.42 0.80 -0.35 2.45 5.75 -0.77 -1.46 115.11 121.95 1bs2 h GLN 560 Ca 0.06 -0.62 -0.01 0.00 -0.15 0.00 0.00 58.65 57.93 1bs2 h GLN 560 Cb 0.64 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.29 1bs2 h GLN 560 CO 0.05 1.24 0.19 0.28 -2.65 0.00 0.00 178.83 177.94 1bs2 h VAL 561 N 0.56 1.11 -0.26 2.39 2.07 -0.90 0.15 116.25 121.38 1bs2 h VAL 561 Ca -0.04 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.17 1bs2 h VAL 561 Cb 1.36 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1bs2 h VAL 561 CO 0.15 0.12 0.05 -1.28 0.02 0.00 0.00 177.57 176.63 1bs2 h SER 562 N 0.48 0.40 -0.57 0.57 0.87 -0.69 -1.25 113.55 113.36 1bs2 h SER 562 Ca 0.13 -0.25 -0.01 0.00 -1.23 0.00 0.00 61.79 60.43 1bs2 h SER 562 Cb 0.01 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.84 1bs2 h SER 562 CO -0.02 0.55 0.34 0.28 -0.53 0.00 0.00 176.83 177.45 1bs2 h SER 563 N 0.24 0.70 0.11 6.23 0.02 -0.15 -2.38 113.55 118.32 1bs2 h SER 563 Ca 0.08 -0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1bs2 h SER 563 Cb 0.31 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1bs2 h SER 563 CO 0.00 0.55 -0.39 0.00 -1.14 0.00 0.00 176.83 175.85 1bs2 h TYR 565 N 0.31 0.78 0.00 0.00 0.05 -0.69 0.69 116.97 118.11 1bs2 h TYR 565 Ca 0.03 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.75 1bs2 h TYR 565 Cb 0.83 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.30 1bs2 h TYR 565 CO 0.02 0.38 -0.38 -0.44 -1.05 0.00 0.00 178.16 176.69 1bs2 h ASP 566 N 0.74 0.00 0.00 3.88 3.32 -1.55 -3.39 116.42 119.42 1bs2 h ASP 566 Ca 0.35 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 1bs2 h ASP 566 Cb 0.38 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1bs2 h ASP 566 CO -0.13 0.38 -1.02 1.33 -1.72 0.00 0.00 179.24 178.09 1bs2 n VAL 567 N -3.83 0.02 -2.42 -1.35 0.24 -0.65 -4.85 118.33 105.49 1bs2 n VAL 567 Ca -0.01 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.34 61.85 1bs2 n VAL 567 Cb 0.45 -0.75 0.00 0.00 -1.47 0.00 0.00 33.84 32.07 1bs2 n VAL 567 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1bs2 n LEU 568 N -2.26 6.50 -4.77 1.34 4.77 0.23 -4.99 117.00 117.83 1bs2 n LEU 568 Ca -0.00 -4.64 -0.39 0.00 -0.03 0.00 0.00 56.01 50.95 1bs2 n LEU 568 Cb 0.51 -1.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.09 1bs2 n LEU 568 CO 0.00 1.32 0.86 0.26 -1.33 0.00 0.00 177.39 178.51 1bs2 s TRP 569 N 0.42 3.05 -0.24 -1.77 0.51 -1.26 -4.78 118.94 114.87 1bs2 s TRP 569 Ca 0.40 1.53 -0.04 0.00 -2.12 0.00 0.00 56.10 55.87 1bs2 s TRP 569 Cb 0.08 -3.45 -0.14 0.00 -0.81 0.00 0.00 33.47 29.16 1bs2 s TRP 569 CO 0.01 -1.43 -0.25 0.28 -0.51 0.00 0.00 176.95 175.04 1bs2 n VAL 570 N 0.19 1.36 -2.24 4.03 0.31 -1.26 -4.82 118.33 115.90 1bs2 n VAL 570 Ca 0.04 -0.45 -0.41 0.00 -0.01 0.00 0.00 64.34 63.51 1bs2 n VAL 570 Cb 0.46 -1.54 -0.03 0.00 -0.91 0.00 0.00 33.84 31.82 1bs2 n VAL 570 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1bs2 s ALA 571 N -2.47 3.48 0.00 3.52 0.00 -1.26 -3.27 121.76 121.77 1bs2 s ALA 571 Ca -0.33 1.12 0.00 0.00 0.00 0.00 0.00 51.96 52.75 1bs2 s ALA 571 Cb 0.10 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1bs2 s ALA 571 CO 0.50 -0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.19 1bs2 n GLY 572 N 1.34 0.62 3.98 0.00 0.00 -1.26 -5.03 105.19 104.84 1bs2 n GLY 572 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.84 1bs2 n GLY 572 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bs2 s GLN 573 N -0.08 2.98 1.07 1.61 -1.52 -1.20 -5.08 119.66 117.43 1bs2 s GLN 573 Ca 0.00 -0.90 -0.12 0.00 -1.95 0.00 0.00 55.36 52.39 1bs2 s GLN 573 Cb 0.00 -2.71 0.23 0.00 -0.22 0.00 0.00 33.01 30.31 1bs2 s GLN 573 CO 0.00 -0.17 1.06 0.95 -0.25 0.00 0.00 175.29 176.88 1bs2 s THR 574 N -2.37 2.11 0.12 -0.19 -4.23 -1.26 -4.76 115.64 105.06 1bs2 s THR 574 Ca 0.49 0.04 -0.16 0.00 -1.18 0.00 0.00 61.69 60.88 1bs2 s THR 574 Cb -0.10 -2.16 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1bs2 s THR 574 CO 0.34 -0.05 1.60 -0.08 -0.54 0.00 0.00 174.62 175.89 1bs2 h GLU 575 N -2.30 0.63 -0.81 3.99 4.81 -1.98 -2.43 114.58 116.49 1bs2 h GLU 575 Ca -0.56 -0.17 0.10 0.00 -0.13 0.00 0.00 59.36 58.60 1bs2 h GLU 575 Cb 1.31 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.55 1bs2 h GLU 575 CO 0.49 0.69 0.44 0.93 -0.73 0.00 0.00 179.01 180.84 1bs2 h GLU 576 N 0.47 0.71 -0.05 1.92 3.07 -1.99 -0.25 114.58 118.46 1bs2 h GLU 576 Ca 0.11 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 1bs2 h GLU 576 Cb 0.37 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1bs2 h GLU 576 CO 0.01 0.47 -0.32 1.25 -1.40 0.00 0.00 179.01 179.02 1bs2 h LEU 577 N 0.73 0.37 -0.98 1.33 5.85 -1.91 -2.68 115.31 118.02 1bs2 h LEU 577 Ca 0.40 -0.67 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 1bs2 h LEU 577 Cb 0.41 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1bs2 h LEU 577 CO -0.27 0.98 0.50 0.00 -0.34 0.00 0.00 178.44 179.31 1bs2 h ALA 578 N 0.40 1.22 -0.47 1.25 0.00 -1.24 -1.92 119.26 118.50 1bs2 h ALA 578 Ca -0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1bs2 h ALA 578 Cb 0.98 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1bs2 h ALA 578 CO 0.06 0.64 -0.02 1.15 0.00 0.00 0.00 179.25 181.09 1bs2 h THR 579 N 1.23 1.26 -0.48 0.00 2.02 -1.09 0.22 112.91 116.06 1bs2 h THR 579 Ca 0.31 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.33 1bs2 h THR 579 Cb -0.00 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1bs2 h THR 579 CO -0.05 0.38 -0.01 0.00 0.37 0.00 0.00 175.52 176.20 1bs2 h ALA 580 N 0.91 1.08 -0.09 6.16 0.00 -1.23 -1.42 119.26 124.66 1bs2 h ALA 580 Ca 0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 1bs2 h ALA 580 Cb 0.53 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bs2 h ALA 580 CO 0.03 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.55 1bs2 h ARG 581 N 0.75 0.37 -0.11 0.00 3.08 -1.18 -2.96 114.38 114.32 1bs2 h ARG 581 Ca 0.14 -0.27 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1bs2 h ARG 581 Cb 0.47 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.56 1bs2 h ARG 581 CO 0.02 0.90 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.69 1bs2 h LEU 582 N -0.09 0.14 -0.67 3.04 3.38 -0.89 0.20 115.31 120.44 1bs2 h LEU 582 Ca -0.01 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bs2 h LEU 582 Cb 0.93 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 1bs2 h LEU 582 CO 0.06 0.23 0.32 0.00 0.09 0.00 0.00 178.44 179.15 1bs2 h ALA 583 N 1.79 0.86 -0.00 1.53 0.00 -1.22 0.21 119.26 122.42 1bs2 h ALA 583 Ca 0.04 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bs2 h ALA 583 Cb 0.21 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1bs2 h ALA 583 CO 0.01 0.43 -0.00 1.25 0.00 0.00 0.00 179.25 180.93 1bs2 h LEU 584 N 0.93 0.01 -0.72 0.00 5.85 -1.04 -0.54 115.31 119.80 1bs2 h LEU 584 Ca 0.23 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.67 1bs2 h LEU 584 Cb 0.12 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1bs2 h LEU 584 CO -0.03 0.33 0.44 1.88 -0.34 0.00 0.00 178.44 180.72 1bs2 h TYR 585 N -0.31 0.82 -0.26 1.25 0.05 -0.83 0.13 116.97 117.81 1bs2 h TYR 585 Ca 0.00 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.79 1bs2 h TYR 585 Cb 0.33 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 1bs2 h TYR 585 CO 0.04 0.44 0.10 0.78 -1.05 0.00 0.00 178.16 178.47 1bs2 h GLY 586 N 0.84 0.42 1.03 3.88 0.00 -0.49 0.31 103.07 109.05 1bs2 h GLY 586 Ca 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.38 1bs2 h GLY 586 CO -0.14 0.22 0.45 0.00 0.00 0.00 0.00 176.54 177.06 1bs2 h ALA 587 N 0.94 1.08 -0.36 3.60 0.00 -0.72 -0.45 119.26 123.36 1bs2 h ALA 587 Ca 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1bs2 h ALA 587 Cb 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1bs2 h ALA 587 CO -0.01 0.61 0.20 0.00 0.00 0.00 0.00 179.25 180.05 1bs2 h ALA 588 N 1.24 0.46 -0.77 0.00 0.00 -0.30 -1.62 119.26 118.27 1bs2 h ALA 588 Ca 0.29 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1bs2 h ALA 588 Cb 0.06 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1bs2 h ALA 588 CO -0.04 -0.01 0.31 -0.09 0.00 0.00 0.00 179.25 179.42 1bs2 h ARG 589 N 0.46 1.15 -0.48 0.00 2.43 0.02 -1.66 114.38 116.29 1bs2 h ARG 589 Ca 0.13 -0.20 0.02 0.00 -0.81 0.00 0.00 59.98 59.11 1bs2 h ARG 589 Cb 0.06 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 1bs2 h ARG 589 CO -0.02 0.93 0.29 0.37 -1.51 0.00 0.00 179.97 180.03 1bs2 h GLN 590 N 1.11 0.57 -0.38 0.20 5.75 -0.71 0.12 115.11 121.76 1bs2 h GLN 590 Ca 0.26 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.68 1bs2 h GLN 590 Cb 0.21 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1bs2 h GLN 590 CO -0.02 0.38 0.08 0.28 -2.65 0.00 0.00 178.83 176.89 1bs2 h VAL 591 N 0.58 1.23 -0.35 2.39 2.07 -1.03 -0.36 116.25 120.78 1bs2 h VAL 591 Ca 0.19 -0.80 0.04 0.00 0.82 0.00 0.00 66.70 66.95 1bs2 h VAL 591 Cb 0.01 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 1bs2 h VAL 591 CO -0.08 0.28 0.13 0.25 0.02 0.00 0.00 177.57 178.17 1bs2 h LEU 592 N 0.47 0.16 0.37 2.57 5.85 -0.95 0.46 115.31 124.24 1bs2 h LEU 592 Ca 0.12 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 1bs2 h LEU 592 Cb 0.33 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1bs2 h LEU 592 CO 0.00 0.13 -0.47 0.22 -0.34 0.00 0.00 178.44 177.98 1bs2 h TYR 593 N 0.29 -1.31 -0.49 1.25 3.20 -0.52 -1.34 116.97 118.04 1bs2 h TYR 593 Ca 0.16 0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.14 1bs2 h TYR 593 Cb 0.12 0.52 -0.10 0.00 1.54 0.00 0.00 36.73 38.82 1bs2 h TYR 593 CO -0.13 -0.61 -0.17 -0.91 -1.64 0.00 0.00 178.16 174.69 1bs2 h ASN 594 N -0.88 -0.60 -0.96 -2.11 4.21 -0.67 -1.55 115.58 113.03 1bs2 h ASN 594 Ca -0.03 0.16 0.02 0.00 1.21 0.00 0.00 56.30 57.66 1bs2 h ASN 594 Cb 0.80 0.36 -0.05 0.00 -1.12 0.00 0.00 38.32 38.30 1bs2 h ASN 594 CO -0.12 -0.20 0.63 1.23 -1.29 0.00 0.00 177.43 177.67 1bs2 h GLY 595 N -0.06 1.37 0.84 2.83 0.00 -0.65 -0.70 103.07 106.70 1bs2 h GLY 595 Ca 0.23 -0.49 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1bs2 h GLY 595 CO -0.53 0.46 -0.01 -0.33 0.00 0.00 0.00 176.54 176.12 1bs2 h MET 596 N 1.26 0.43 -0.38 4.80 2.86 -0.57 -2.27 114.93 121.07 1bs2 h MET 596 Ca 0.36 -0.14 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 1bs2 h MET 596 Cb -0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.50 1bs2 h MET 596 CO -0.10 0.62 0.17 0.00 1.06 0.00 0.00 176.91 178.67 1bs2 h ARG 597 N 0.20 0.35 -0.75 1.72 2.47 -1.05 -0.17 114.38 117.15 1bs2 h ARG 597 Ca 0.07 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.90 1bs2 h ARG 597 Cb 0.43 -0.08 -0.09 0.00 -1.65 0.00 0.00 29.97 28.58 1bs2 h ARG 597 CO 0.01 0.23 0.33 1.25 0.56 0.00 0.00 179.97 182.35 1bs2 h LEU 598 N 0.36 0.35 -0.59 3.04 5.85 -0.99 0.24 115.31 123.58 1bs2 h LEU 598 Ca 0.16 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.98 1bs2 h LEU 598 Cb 0.09 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1bs2 h LEU 598 CO -0.13 0.16 0.00 0.18 -0.34 0.00 0.00 178.44 178.31 1bs2 n LEU 599 N -4.95 0.58 0.00 2.25 4.77 -0.75 -4.50 117.00 114.40 1bs2 n LEU 599 Ca 0.14 0.64 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1bs2 n LEU 599 Cb 0.38 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1bs2 n LEU 599 CO 0.20 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.36 1bs2 n GLY 600 N 0.04 0.83 3.89 -0.72 0.00 0.85 -4.61 105.19 105.46 1bs2 n GLY 600 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1bs2 n GLY 600 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bs2 s LEU 601 N 0.00 3.06 -0.39 0.99 1.02 -0.15 -4.48 118.68 118.72 1bs2 s LEU 601 Ca 0.00 1.14 0.01 0.00 0.02 0.00 0.00 54.13 55.31 1bs2 s LEU 601 Cb 0.00 -4.02 0.11 0.00 0.02 0.00 0.00 46.19 42.30 1bs2 s LEU 601 CO 0.00 -1.15 0.14 -0.89 0.02 0.00 0.00 176.35 174.46 1bs2 s THR 602 N -3.24 2.71 0.07 5.49 2.01 -1.26 -4.01 115.64 117.41 1bs2 s THR 602 Ca 0.56 -2.37 -0.33 0.00 0.31 0.00 0.00 61.69 59.87 1bs2 s THR 602 Cb -0.11 -2.93 -0.12 0.00 0.01 0.00 0.00 72.50 69.36 1bs2 s THR 602 CO 0.51 -0.66 1.77 -2.65 -0.69 0.00 0.00 174.62 172.91 1bs2 n PRO 603 N 4.23 2.42 -2.19 4.92 -0.02 -1.26 -4.86 135.00 138.24 1bs2 n PRO 603 Ca 0.02 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 61.96 1bs2 n PRO 603 Cb 0.41 -2.72 -0.02 0.00 -0.02 0.00 0.00 33.50 31.14 1bs2 n PRO 603 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1bs2 s VAL 604 N 2.61 3.88 -0.05 -1.45 1.01 -1.26 -4.83 120.40 120.31 1bs2 s VAL 604 Ca 0.84 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.85 1bs2 s VAL 604 Cb -0.60 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.04 1bs2 s VAL 604 CO 0.42 -0.14 -0.07 -0.62 0.00 0.00 0.00 175.10 174.69 1bs2 n GLU 605 N 7.02 0.12 -2.96 2.72 1.02 -1.26 -4.51 120.64 122.79 1bs2 n GLU 605 Ca 0.16 0.05 -0.43 0.00 -0.02 0.00 0.00 57.16 56.93 1bs2 n GLU 605 Cb 0.44 -0.70 -0.05 0.00 -0.02 0.00 0.00 31.44 31.10 1bs2 n GLU 605 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1bs2 s ARG 606 N -2.11 3.55 0.00 3.49 1.81 -1.26 -5.08 118.95 119.34 1bs2 s ARG 606 Ca -0.08 0.06 0.21 0.00 -1.72 0.00 0.00 55.73 54.21 1bs2 s ARG 606 Cb 0.03 -3.89 1.26 0.00 -0.45 0.00 0.00 34.95 31.91 1bs2 s ARG 606 CO 0.10 -1.01 1.64 -1.33 -0.68 0.00 0.00 175.30 174.02