#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hbx n SER 13 N 0.00 1.47 -0.07 4.52 3.41 -1.26 -4.76 113.62 116.94 3hbx n SER 13 Ca 0.00 -3.22 0.13 0.00 -0.26 0.00 0.00 58.87 55.52 3hbx n SER 13 Cb 0.00 -0.44 0.44 0.00 -0.26 0.00 0.00 64.21 63.94 3hbx n SER 13 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3hbx n VAL 14 N -0.59 0.00 -2.34 -3.33 0.24 -1.26 -4.88 118.33 106.17 3hbx n VAL 14 Ca 0.14 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.34 62.00 3hbx n VAL 14 Cb 0.83 0.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.20 3hbx n VAL 14 CO 0.00 0.00 0.00 -1.00 -2.14 0.00 0.00 176.83 173.69 3hbx s HIS 15 N -2.79 3.39 0.73 6.34 3.76 -1.26 -5.03 115.29 120.42 3hbx s HIS 15 Ca 0.18 1.46 -0.13 0.00 -0.15 0.00 0.00 55.06 56.43 3hbx s HIS 15 Cb 0.19 -3.45 0.03 0.00 1.11 0.00 0.00 32.58 30.46 3hbx s HIS 15 CO 0.58 -1.23 1.10 -1.54 -0.85 0.00 0.00 174.74 172.80 3hbx s SER 16 N -0.19 4.71 0.40 1.40 1.04 -1.26 -4.83 113.70 114.97 3hbx s SER 16 Ca 0.51 1.93 0.11 0.00 0.48 0.00 0.00 55.95 58.97 3hbx s SER 16 Cb -0.34 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.15 3hbx s SER 16 CO 0.40 -1.90 1.94 0.71 0.98 0.00 0.00 173.24 175.38 3hbx h THR 17 N -0.61 0.91 -0.01 2.02 1.35 -1.95 0.19 112.91 114.80 3hbx h THR 17 Ca -0.45 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.21 3hbx h THR 17 Cb 1.24 0.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3hbx h THR 17 CO 0.52 0.10 -0.04 0.49 -0.25 0.00 0.00 175.52 176.34 3hbx n PHE 18 N -4.49 0.00 0.84 4.73 3.72 -1.26 -2.95 117.46 118.05 3hbx n PHE 18 Ca 0.12 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.61 3hbx n PHE 18 Cb 0.37 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.78 3hbx n PHE 18 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hbx n ALA 19 N -0.28 4.26 -1.96 4.37 0.00 -0.01 -5.01 120.51 121.88 3hbx n ALA 19 Ca 0.19 -0.51 -0.26 0.00 0.00 0.00 0.00 53.44 52.86 3hbx n ALA 19 Cb 0.30 -0.65 0.14 0.00 0.00 0.00 0.00 19.45 19.24 3hbx n ALA 19 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hbx s SER 20 N -2.64 3.86 0.00 0.00 1.04 -0.82 -4.90 113.70 110.23 3hbx s SER 20 Ca 0.07 -0.05 0.19 0.00 0.48 0.00 0.00 55.95 56.65 3hbx s SER 20 Cb 0.13 -0.21 0.57 0.00 0.10 0.00 0.00 66.02 66.62 3hbx s SER 20 CO 0.71 -2.21 1.45 -2.11 0.98 0.00 0.00 173.24 172.06 3hbx n ARG 21 N -3.23 2.00 0.15 4.02 -4.01 -1.26 -4.01 116.66 110.31 3hbx n ARG 21 Ca 0.15 -1.52 0.07 0.00 -1.04 0.00 0.00 57.85 55.51 3hbx n ARG 21 Cb 0.60 -1.41 0.05 0.00 -3.04 0.00 0.00 32.46 28.66 3hbx n ARG 21 CO 0.00 0.00 0.00 1.88 -3.04 0.00 0.00 177.63 176.47 3hbx h TYR 22 N 2.85 0.00 -0.11 2.89 0.05 -1.94 -3.16 116.97 117.55 3hbx h TYR 22 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3hbx h TYR 22 Cb 0.63 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.37 3hbx h TYR 22 CO 0.19 0.27 0.00 1.33 -1.05 0.00 0.00 178.16 178.91 3hbx n VAL 23 N -3.05 0.13 0.63 -2.88 0.24 -1.26 -3.37 118.33 108.77 3hbx n VAL 23 Ca 0.01 -0.26 0.11 0.00 -2.04 0.00 0.00 64.34 62.16 3hbx n VAL 23 Cb 0.66 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.24 3hbx n VAL 23 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3hbx n ARG 24 N 0.04 0.24 -4.40 7.34 1.74 -1.19 -4.88 116.66 115.55 3hbx n ARG 24 Ca 0.16 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.88 3hbx n ARG 24 Cb 0.28 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 3hbx n ARG 24 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3hbx s THR 25 N -3.17 4.13 0.47 0.55 2.01 -1.22 -5.11 115.64 113.30 3hbx s THR 25 Ca 0.04 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.54 3hbx s THR 25 Cb 0.15 -2.75 -0.09 0.00 0.01 0.00 0.00 72.50 69.81 3hbx s THR 25 CO 0.82 0.57 0.99 -0.94 -0.69 0.00 0.00 174.62 175.36 3hbx s SER 26 N -0.47 6.65 0.32 3.53 1.04 -1.26 -4.99 113.70 118.52 3hbx s SER 26 Ca 0.08 1.74 -0.29 0.00 0.48 0.00 0.00 55.95 57.96 3hbx s SER 26 Cb -0.12 -2.54 -0.11 0.00 0.10 0.00 0.00 66.02 63.35 3hbx s SER 26 CO 0.02 -0.56 1.51 -0.76 0.98 0.00 0.00 173.24 174.42 3hbx s LEU 27 N -3.51 4.35 0.28 2.42 1.43 -1.26 -4.92 118.68 117.46 3hbx s LEU 27 Ca 0.63 2.93 -0.30 0.00 -1.03 0.00 0.00 54.13 56.36 3hbx s LEU 27 Cb -0.11 -3.65 -0.13 0.00 0.03 0.00 0.00 46.19 42.33 3hbx s LEU 27 CO 0.20 -0.84 1.35 -2.65 0.23 0.00 0.00 176.35 174.65 3hbx n PRO 28 N 1.42 2.07 -0.03 1.29 -0.02 -1.26 -4.94 135.00 133.53 3hbx n PRO 28 Ca 0.04 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.24 3hbx n PRO 28 Cb 0.39 -2.35 -0.08 0.00 -0.02 0.00 0.00 33.50 31.44 3hbx n PRO 28 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3hbx n ARG 29 N 1.43 1.62 0.02 -0.52 1.74 -1.26 -4.91 116.66 114.77 3hbx n ARG 29 Ca 0.09 -0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3hbx n ARG 29 Cb 0.33 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 3hbx n ARG 29 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3hbx n PHE 30 N -2.19 -0.10 -4.07 -1.55 3.72 -1.26 -5.07 117.46 106.94 3hbx n PHE 30 Ca -0.11 0.02 -0.34 0.00 -0.05 0.00 0.00 57.45 56.97 3hbx n PHE 30 Cb 0.63 0.06 -0.07 0.00 -0.94 0.00 0.00 39.48 39.16 3hbx n PHE 30 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3hbx s LYS 31 N -2.00 3.16 0.16 -1.08 1.02 -1.26 -5.08 119.74 114.65 3hbx s LYS 31 Ca 0.00 -0.42 -0.30 0.00 0.02 0.00 0.00 55.97 55.27 3hbx s LYS 31 Cb 0.00 -2.93 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 3hbx s LYS 31 CO 0.00 0.67 1.28 1.41 -0.92 0.00 0.00 175.35 177.79 3hbx s MET 32 N -1.62 4.41 0.61 1.68 -2.45 -1.26 -4.87 119.30 115.80 3hbx s MET 32 Ca 0.22 1.97 -0.19 0.00 -1.25 0.00 0.00 55.69 56.43 3hbx s MET 32 Cb -0.12 -3.24 -0.02 0.00 1.25 0.00 0.00 34.83 32.69 3hbx s MET 32 CO 0.13 -0.25 1.32 -2.14 1.05 0.00 0.00 175.02 175.13 3hbx s PRO 33 N 0.29 2.77 0.10 4.11 0.02 -1.26 -4.95 135.00 136.08 3hbx s PRO 33 Ca 0.58 2.14 -0.10 0.00 0.02 0.00 0.00 61.00 63.63 3hbx s PRO 33 Cb -0.34 -2.00 -0.16 0.00 0.02 0.00 0.00 34.50 32.02 3hbx s PRO 33 CO 0.35 -1.45 1.26 0.93 -0.33 0.00 0.00 177.00 177.75 3hbx h GLU 34 N 0.88 0.62 -6.39 5.54 4.39 -2.08 -3.47 114.58 114.08 3hbx h GLU 34 Ca -0.51 -0.63 -0.61 0.00 0.34 0.00 0.00 59.36 57.95 3hbx h GLU 34 Cb 1.32 0.17 -0.13 0.00 -0.10 0.00 0.00 28.75 30.01 3hbx h GLU 34 CO 0.55 1.23 -0.70 -0.80 -1.16 0.00 0.00 179.01 178.13 3hbx s ASN 35 N -7.19 4.41 0.67 1.42 0.02 -1.26 -5.12 114.94 107.89 3hbx s ASN 35 Ca -0.08 -0.55 -0.13 0.00 -1.02 0.00 0.00 52.86 51.08 3hbx s ASN 35 Cb 0.08 -0.80 0.00 0.00 0.02 0.00 0.00 41.25 40.55 3hbx s ASN 35 CO 0.90 0.09 1.07 -0.44 0.02 0.00 0.00 177.10 178.74 3hbx s SER 36 N -2.96 5.29 0.13 -1.22 0.01 -1.26 -5.09 113.70 108.60 3hbx s SER 36 Ca 0.26 1.78 0.06 0.00 1.31 0.00 0.00 55.95 59.36 3hbx s SER 36 Cb -0.09 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.59 3hbx s SER 36 CO 0.17 -1.50 -0.14 0.27 0.41 0.00 0.00 173.24 172.44 3hbx s ILE 37 N -2.72 1.37 0.38 1.44 -4.36 -1.26 -5.12 121.20 110.93 3hbx s ILE 37 Ca 0.62 -1.73 -0.26 0.00 -0.26 0.00 0.00 60.65 59.01 3hbx s ILE 37 Cb -0.16 -1.56 -0.12 0.00 1.25 0.00 0.00 42.46 41.87 3hbx s ILE 37 CO 0.47 -0.41 1.09 -2.65 0.24 0.00 0.00 174.94 173.69 3hbx n PRO 38 N 0.51 1.56 -0.29 0.37 -0.02 -1.26 -4.77 135.00 131.10 3hbx n PRO 38 Ca -0.15 0.55 -0.01 0.00 -2.02 0.00 0.00 63.50 61.87 3hbx n PRO 38 Cb 0.57 -2.09 0.11 0.00 -0.02 0.00 0.00 33.50 32.08 3hbx n PRO 38 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3hbx h LYS 39 N 1.89 0.93 -0.87 -0.52 2.10 -1.99 -1.61 116.57 116.50 3hbx h LYS 39 Ca -0.44 -0.06 0.01 0.00 -2.00 0.00 0.00 60.65 58.17 3hbx h LYS 39 Cb 1.32 -0.21 -0.04 0.00 -0.90 0.00 0.00 32.23 32.40 3hbx h LYS 39 CO 0.59 0.62 0.58 1.05 -2.00 0.00 0.00 179.45 180.28 3hbx h GLU 40 N 0.96 1.12 -0.15 0.07 9.09 -1.99 -0.50 114.58 123.18 3hbx h GLU 40 Ca 0.34 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.64 3hbx h GLU 40 Cb 0.08 -0.25 -0.00 0.00 -1.65 0.00 0.00 28.75 26.92 3hbx h GLU 40 CO -0.14 0.74 -0.06 0.00 0.05 0.00 0.00 179.01 179.61 3hbx h ALA 41 N 1.47 0.21 -0.78 1.06 0.00 -1.71 -2.01 119.26 117.51 3hbx h ALA 41 Ca 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hbx h ALA 41 Cb -0.10 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3hbx h ALA 41 CO -0.08 -0.00 0.42 0.00 0.00 0.00 0.00 179.25 179.59 3hbx h ALA 42 N 0.69 1.00 -0.29 0.00 0.00 -1.07 -2.22 119.26 117.37 3hbx h ALA 42 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hbx h ALA 42 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3hbx h ALA 42 CO 0.02 0.51 0.19 -0.92 0.00 0.00 0.00 179.25 179.04 3hbx h TYR 43 N 1.08 0.37 -0.03 0.00 3.20 -1.06 -2.73 116.97 117.79 3hbx h TYR 43 Ca 0.27 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.15 3hbx h TYR 43 Cb 0.04 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3hbx h TYR 43 CO 0.00 0.24 0.01 0.37 -1.64 0.00 0.00 178.16 177.14 3hbx h GLN 44 N 0.38 0.05 -0.52 1.82 5.75 -1.03 -0.38 115.11 121.19 3hbx h GLN 44 Ca 0.10 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3hbx h GLN 44 Cb -0.03 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3hbx h GLN 44 CO -0.02 0.26 0.00 0.82 -2.65 0.00 0.00 178.83 177.24 3hbx h ILE 45 N -0.16 1.26 -0.36 2.39 2.04 -1.45 0.65 117.51 121.88 3hbx h ILE 45 Ca 0.01 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.70 3hbx h ILE 45 Cb 0.23 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 3hbx h ILE 45 CO -0.00 0.39 -0.08 0.40 0.00 0.00 0.00 178.15 178.86 3hbx h ILE 46 N 0.78 1.28 -0.85 -0.67 2.04 -1.49 -2.14 117.51 116.46 3hbx h ILE 46 Ca 0.15 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.87 3hbx h ILE 46 Cb 0.52 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3hbx h ILE 46 CO 0.03 0.38 0.54 -1.13 0.00 0.00 0.00 178.15 177.97 3hbx h ASN 47 N 0.49 0.99 -0.24 1.72 -1.24 -0.86 -2.20 115.58 114.25 3hbx h ASN 47 Ca 0.09 -0.04 -0.07 0.00 0.71 0.00 0.00 56.30 57.00 3hbx h ASN 47 Cb 0.59 -0.25 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 3hbx h ASN 47 CO 0.03 0.73 -0.12 0.44 -1.29 0.00 0.00 177.43 177.23 3hbx h ASP 48 N 1.16 0.52 0.08 1.15 5.19 -0.69 -3.03 116.42 120.80 3hbx h ASP 48 Ca 0.31 -0.42 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 3hbx h ASP 48 Cb -0.10 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.25 3hbx h ASP 48 CO -0.06 0.82 -0.24 -0.08 -3.12 0.00 0.00 179.24 176.56 3hbx h GLU 49 N 0.21 0.27 0.00 3.56 4.81 -1.28 -2.01 114.58 120.14 3hbx h GLU 49 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hbx h GLU 49 Cb 0.63 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3hbx h GLU 49 CO 0.04 0.50 0.00 -0.07 -0.73 0.00 0.00 179.01 178.74 3hbx h LEU 50 N 0.24 0.00 -1.29 1.64 4.07 -1.28 -2.01 115.31 116.68 3hbx h LEU 50 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 3hbx h LEU 50 Cb 0.56 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.30 3hbx h LEU 50 CO 0.04 0.00 0.00 0.24 -1.08 0.00 0.00 178.44 177.64 3hbx h MET 51 N 0.00 0.00 -0.00 1.13 2.86 -1.30 -1.51 114.93 116.11 3hbx h MET 51 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hbx h MET 51 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 3hbx h MET 51 CO 0.00 0.00 -0.06 1.28 1.06 0.00 0.00 176.91 179.19 3hbx n LEU 52 N -2.69 0.36 -4.79 1.22 4.77 -0.76 -4.77 117.00 110.34 3hbx n LEU 52 Ca 0.01 0.03 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 3hbx n LEU 52 Cb 0.24 -0.16 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 3hbx n LEU 52 CO 0.22 0.06 0.71 -1.81 -1.33 0.00 0.00 177.39 175.25 3hbx s ASP 53 N -2.37 5.22 0.76 -1.43 1.01 -0.57 -5.04 116.67 114.25 3hbx s ASP 53 Ca 0.33 1.78 -0.11 0.00 0.71 0.00 0.00 52.55 55.27 3hbx s ASP 53 Cb 0.21 -2.52 0.05 0.00 1.01 0.00 0.00 42.92 41.66 3hbx s ASP 53 CO 0.44 -1.55 1.08 -0.83 0.21 0.00 0.00 175.17 174.52 3hbx s GLY 54 N -3.23 1.66 -0.35 0.21 0.00 -1.26 -4.99 107.32 99.35 3hbx s GLY 54 Ca 0.62 0.08 -0.27 0.00 0.00 0.00 0.00 44.72 45.15 3hbx s GLY 54 CO 0.48 0.44 0.98 0.21 0.00 0.00 0.00 173.10 175.21 3hbx s ASN 55 N -3.64 6.76 0.28 1.64 3.84 -1.26 -4.93 114.94 117.63 3hbx s ASN 55 Ca 0.60 0.74 0.03 0.00 0.21 0.00 0.00 52.86 54.44 3hbx s ASN 55 Cb -0.15 -2.49 0.67 0.00 -0.55 0.00 0.00 41.25 38.72 3hbx s ASN 55 CO 0.55 -0.87 1.73 -0.65 -2.79 0.00 0.00 177.10 175.07 3hbx h PRO 56 N 8.36 0.50 0.00 0.43 0.11 -1.95 0.22 132.00 139.67 3hbx h PRO 56 Ca -0.22 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 3hbx h PRO 56 Cb 1.07 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 3hbx h PRO 56 CO 1.00 0.33 -0.03 0.00 -0.21 0.00 0.00 178.00 179.09 3hbx h ARG 57 N 0.51 0.00 -0.02 1.05 2.47 -1.92 -0.83 114.38 115.65 3hbx h ARG 57 Ca 0.53 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.25 3hbx h ARG 57 Cb 0.92 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.24 3hbx h ARG 57 CO -0.46 0.03 -0.09 1.28 0.56 0.00 0.00 179.97 181.30 3hbx n LEU 58 N -3.51 2.59 -4.56 3.04 4.77 0.69 -4.84 117.00 115.19 3hbx n LEU 58 Ca -0.02 -0.95 -0.40 0.00 -0.03 0.00 0.00 56.01 54.61 3hbx n LEU 58 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3hbx n LEU 58 CO 0.26 0.45 1.36 0.21 -1.33 0.00 0.00 177.39 178.33 3hbx s ASN 59 N -1.88 6.16 0.00 -1.43 2.47 -0.32 -2.34 114.94 117.61 3hbx s ASN 59 Ca 0.23 -0.87 0.17 0.00 0.42 0.00 0.00 52.86 52.81 3hbx s ASN 59 Cb 0.17 -2.56 0.61 0.00 -1.45 0.00 0.00 41.25 38.02 3hbx s ASN 59 CO 0.32 -1.81 1.45 0.18 -3.72 0.00 0.00 177.10 173.51 3hbx n LEU 60 N 9.80 1.53 0.09 3.21 4.77 -0.49 -3.60 117.00 132.30 3hbx n LEU 60 Ca 0.21 -0.69 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 3hbx n LEU 60 Cb 0.50 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3hbx n LEU 60 CO 0.68 0.34 0.11 0.00 -1.33 0.00 0.00 177.39 177.19 3hbx h ALA 61 N 3.84 0.63 -2.65 -1.18 0.00 -1.81 -1.90 119.26 116.18 3hbx h ALA 61 Ca 0.00 -0.68 -0.57 0.00 0.00 0.00 0.00 54.91 53.66 3hbx h ALA 61 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 3hbx h ALA 61 CO 0.00 0.82 -0.24 0.45 0.00 0.00 0.00 179.25 180.28 3hbx s SER 62 N -6.21 6.56 0.00 0.00 0.15 -1.24 -4.89 113.70 108.07 3hbx s SER 62 Ca 0.01 0.72 0.24 0.00 0.70 0.00 0.00 55.95 57.61 3hbx s SER 62 Cb 0.08 -2.14 0.22 0.00 -1.71 0.00 0.00 66.02 62.47 3hbx s SER 62 CO 0.78 0.04 1.22 0.49 1.20 0.00 0.00 173.24 176.97 3hbx n PHE 63 N 0.16 0.00 -2.80 3.44 3.01 -1.26 -4.78 117.46 115.23 3hbx n PHE 63 Ca -0.02 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.03 3hbx n PHE 63 Cb 0.52 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.86 3hbx n PHE 63 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3hbx s VAL 64 N -2.76 4.63 0.29 -4.37 1.01 -1.26 -4.40 120.40 113.53 3hbx s VAL 64 Ca 0.15 1.95 -0.30 0.00 0.00 0.00 0.00 61.98 63.78 3hbx s VAL 64 Cb 0.18 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 32.17 3hbx s VAL 64 CO 0.68 0.30 1.47 0.41 0.00 0.00 0.00 175.10 177.96 3hbx n THR 65 N 2.99 1.20 -0.08 3.92 -1.04 0.59 -4.92 114.28 116.93 3hbx n THR 65 Ca 0.02 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.73 3hbx n THR 65 Cb 0.50 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.28 3hbx n THR 65 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3hbx n THR 66 N 1.67 0.87 -3.70 12.58 -2.24 -1.26 -4.41 114.28 117.80 3hbx n THR 66 Ca 0.09 -0.89 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 3hbx n THR 66 Cb 0.35 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.05 3hbx n THR 66 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 3hbx s TRP 67 N -0.87 -0.58 0.14 4.78 -0.00 -1.26 -4.78 118.94 116.36 3hbx s TRP 67 Ca 0.00 1.31 0.03 0.00 -0.00 0.00 0.00 56.10 57.44 3hbx s TRP 67 Cb 0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 33.47 33.66 3hbx s TRP 67 CO 0.00 -0.30 -0.06 -1.64 -0.00 0.00 0.00 176.95 174.96 3hbx s MET 68 N 0.76 0.99 0.46 5.86 -1.94 -1.26 -4.91 119.30 119.26 3hbx s MET 68 Ca -0.04 -1.43 -0.24 0.00 -1.71 0.00 0.00 55.69 52.26 3hbx s MET 68 Cb -0.05 -0.36 -0.07 0.00 2.01 0.00 0.00 34.83 36.36 3hbx s MET 68 CO -0.06 -0.02 1.37 -1.21 -0.01 0.00 0.00 175.02 175.09 3hbx s GLU 69 N -3.83 3.62 0.37 2.03 2.02 -1.26 -4.84 118.70 116.81 3hbx s GLU 69 Ca 0.17 2.28 0.12 0.00 0.02 0.00 0.00 54.97 57.56 3hbx s GLU 69 Cb 0.05 -2.56 0.92 0.00 0.10 0.00 0.00 34.13 32.63 3hbx s GLU 69 CO -0.01 -0.82 1.84 -1.35 0.02 0.00 0.00 175.26 174.94 3hbx h PRO 70 N 2.17 0.56 -0.42 0.39 0.11 -2.00 0.17 132.00 132.98 3hbx h PRO 70 Ca -0.50 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.58 3hbx h PRO 70 Cb 1.27 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3hbx h PRO 70 CO 0.60 0.37 0.28 0.93 -0.21 0.00 0.00 178.00 179.98 3hbx h GLU 71 N 0.58 0.55 0.00 1.05 3.07 -2.01 -1.84 114.58 115.97 3hbx h GLU 71 Ca 0.49 -0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 59.12 3hbx h GLU 71 Cb 0.97 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.73 3hbx h GLU 71 CO -0.23 0.36 -0.94 0.00 -1.40 0.00 0.00 179.01 176.80 3hbx h ASP 73 N 0.00 0.96 0.03 0.00 5.19 -0.60 -1.97 116.42 120.02 3hbx h ASP 73 Ca -0.01 -0.02 -0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3hbx h ASP 73 Cb 1.67 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3hbx h ASP 73 CO 0.12 0.68 -0.01 0.11 -3.12 0.00 0.00 179.24 177.02 3hbx h LYS 74 N 1.12 -0.03 -0.59 3.56 1.57 -1.35 -0.66 116.57 120.19 3hbx h LYS 74 Ca 0.33 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.21 3hbx h LYS 74 Cb -0.06 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 3hbx h LYS 74 CO -0.09 0.14 0.19 -0.07 -0.57 0.00 0.00 179.45 179.05 3hbx h LEU 75 N -0.20 0.15 0.01 2.94 3.38 -1.42 0.27 115.31 120.43 3hbx h LEU 75 Ca -0.00 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.06 3hbx h LEU 75 Cb 0.19 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3hbx h LEU 75 CO 0.01 0.09 -0.06 0.40 0.09 0.00 0.00 178.44 178.97 3hbx h ILE 76 N 0.35 0.85 -0.36 1.22 2.04 -1.19 -2.64 117.51 117.78 3hbx h ILE 76 Ca 0.30 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.11 3hbx h ILE 76 Cb 0.39 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 3hbx h ILE 76 CO -0.33 0.00 0.02 -0.03 0.00 0.00 0.00 178.15 177.81 3hbx h MET 77 N -0.11 0.55 0.00 2.37 4.05 -0.43 -1.57 114.93 119.80 3hbx h MET 77 Ca 0.02 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.33 3hbx h MET 77 Cb 0.13 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3hbx h MET 77 CO -0.06 0.56 0.00 0.43 0.23 0.00 0.00 176.91 178.07 3hbx n SER 78 N -4.29 0.41 -0.50 1.39 7.64 0.88 -3.40 113.62 115.75 3hbx n SER 78 Ca 0.02 0.61 0.03 0.00 1.01 0.00 0.00 58.87 60.53 3hbx n SER 78 Cb 0.24 -0.69 0.04 0.00 -1.01 0.00 0.00 64.21 62.78 3hbx n SER 78 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hbx n SER 79 N -1.96 0.65 0.15 6.43 3.41 -0.71 -4.75 113.62 116.84 3hbx n SER 79 Ca 0.02 -2.29 0.13 0.00 -0.26 0.00 0.00 58.87 56.47 3hbx n SER 79 Cb 0.19 -0.27 0.54 0.00 -0.26 0.00 0.00 64.21 64.40 3hbx n SER 79 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3hbx h ILE 80 N 5.32 0.00 -0.11 -1.33 -0.00 -1.34 -2.44 117.51 117.62 3hbx h ILE 80 Ca -0.02 -0.23 0.00 0.00 -0.00 0.00 0.00 64.86 64.61 3hbx h ILE 80 Cb 1.35 0.96 0.00 0.00 -0.00 0.00 0.00 36.82 39.13 3hbx h ILE 80 CO 0.01 0.00 0.00 -0.46 -0.00 0.00 0.00 178.15 177.70 3hbx n ASN 81 N -2.35 3.10 -4.51 2.16 6.94 -1.26 -4.83 115.26 114.51 3hbx n ASN 81 Ca 0.01 -2.00 -0.43 0.00 -0.02 0.00 0.00 54.58 52.15 3hbx n ASN 81 Cb 0.21 -0.05 -0.04 0.00 -2.36 0.00 0.00 39.78 37.54 3hbx n ASN 81 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3hbx s LYS 82 N -1.89 3.27 -0.17 -3.83 1.02 -0.92 -5.01 119.74 112.21 3hbx s LYS 82 Ca 0.30 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.60 3hbx s LYS 82 Cb 0.21 -4.10 -0.03 0.00 -0.52 0.00 0.00 37.83 33.38 3hbx s LYS 82 CO 0.30 -1.60 1.55 1.21 -0.92 0.00 0.00 175.35 175.89 3hbx s ASN 83 N 3.09 6.57 0.30 2.83 2.47 -1.26 -2.83 114.94 126.12 3hbx s ASN 83 Ca 0.29 1.78 0.01 0.00 0.42 0.00 0.00 52.86 55.36 3hbx s ASN 83 Cb -0.13 -2.53 0.55 0.00 -1.45 0.00 0.00 41.25 37.68 3hbx s ASN 83 CO 0.17 -1.07 1.90 0.22 -3.72 0.00 0.00 177.10 174.60 3hbx h TYR 84 N 9.88 1.05 0.00 0.43 3.20 -1.20 -2.55 116.97 127.78 3hbx h TYR 84 Ca -0.34 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.56 3hbx h TYR 84 Cb 1.15 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.08 3hbx h TYR 84 CO 0.88 0.52 0.00 1.55 -1.64 0.00 0.00 178.16 179.47 3hbx n VAL 85 N -4.51 1.22 -1.92 1.81 3.14 -1.26 -3.98 118.33 112.83 3hbx n VAL 85 Ca 0.15 0.43 -0.42 0.00 -2.96 0.00 0.00 64.34 61.53 3hbx n VAL 85 Cb 0.24 -1.34 0.00 0.00 -1.06 0.00 0.00 33.84 31.67 3hbx n VAL 85 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3hbx n ASP 86 N -1.86 4.19 -0.12 6.55 8.00 -0.96 -4.78 116.55 127.56 3hbx n ASP 86 Ca 0.01 -2.89 -0.06 0.00 0.71 0.00 0.00 54.79 52.55 3hbx n ASP 86 Cb 0.11 -1.64 0.02 0.00 -0.02 0.00 0.00 41.12 39.59 3hbx n ASP 86 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 3hbx h MET 87 N 6.11 0.38 -0.62 -1.24 1.85 -1.85 -0.88 114.93 118.69 3hbx h MET 87 Ca 0.53 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.57 3hbx h MET 87 Cb 0.66 -0.09 -0.03 0.00 0.43 0.00 0.00 31.60 32.58 3hbx h MET 87 CO 1.80 0.25 0.28 0.22 -0.40 0.00 0.00 176.91 179.07 3hbx h ASP 88 N 0.39 0.83 0.05 1.39 3.58 -1.90 -2.99 116.42 117.77 3hbx h ASP 88 Ca 0.17 -0.14 -0.16 0.00 0.42 0.00 0.00 57.03 57.32 3hbx h ASP 88 Cb 0.08 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.91 3hbx h ASP 88 CO -0.12 0.74 -0.54 -0.33 -2.88 0.00 0.00 179.24 176.11 3hbx h GLU 89 N 0.86 0.52 -2.78 0.28 3.07 -1.83 -3.37 114.58 111.33 3hbx h GLU 89 Ca 0.21 -0.33 -0.61 0.00 -0.50 0.00 0.00 59.36 58.13 3hbx h GLU 89 Cb 0.15 0.04 -0.41 0.00 -0.84 0.00 0.00 28.75 27.68 3hbx h GLU 89 CO -0.02 0.93 -0.65 0.66 -1.40 0.00 0.00 179.01 178.53 3hbx n TYR 90 N -3.96 2.61 -0.25 4.33 4.01 -0.36 -4.95 117.16 118.60 3hbx n TYR 90 Ca -0.03 -4.12 -0.06 0.00 -0.16 0.00 0.00 57.90 53.53 3hbx n TYR 90 Cb 0.60 -0.48 0.05 0.00 -0.31 0.00 0.00 39.34 39.20 3hbx n TYR 90 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hbx h PRO 91 N 5.15 0.97 -0.41 -0.72 0.11 -1.70 -2.91 132.00 132.50 3hbx h PRO 91 Ca 0.17 -0.13 -0.11 0.00 0.11 0.00 0.00 66.00 66.04 3hbx h PRO 91 Cb 0.76 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.68 3hbx h PRO 91 CO 0.68 0.75 -0.17 0.28 -0.21 0.00 0.00 178.00 179.34 3hbx h VAL 92 N 0.95 1.28 -0.83 3.15 2.07 -1.92 -1.69 116.25 119.25 3hbx h VAL 92 Ca 0.24 -1.30 0.08 0.00 0.82 0.00 0.00 66.70 66.54 3hbx h VAL 92 Cb 0.08 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 3hbx h VAL 92 CO -0.03 0.44 0.50 0.74 0.02 0.00 0.00 177.57 179.23 3hbx h THR 93 N 0.65 0.98 -0.57 2.57 2.02 -1.93 -0.60 112.91 116.03 3hbx h THR 93 Ca 0.10 -0.30 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 3hbx h THR 93 Cb 0.72 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3hbx h THR 93 CO 0.05 0.16 -0.05 0.74 0.37 0.00 0.00 175.52 176.79 3hbx h THR 94 N 0.88 1.27 -0.52 3.16 2.02 -1.30 -2.89 112.91 115.52 3hbx h THR 94 Ca 0.38 -1.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.33 3hbx h THR 94 Cb 0.26 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3hbx h THR 94 CO -0.20 0.43 0.22 -0.33 0.37 0.00 0.00 175.52 176.00 3hbx h GLU 95 N 0.93 0.77 -0.66 6.66 5.08 -0.42 -2.23 114.58 124.71 3hbx h GLU 95 Ca 0.16 -0.14 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 3hbx h GLU 95 Cb 0.61 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3hbx h GLU 95 CO 0.04 0.67 0.44 -0.07 -1.00 0.00 0.00 179.01 179.09 3hbx h LEU 96 N 0.70 0.65 -0.45 1.33 3.38 -1.06 0.75 115.31 120.61 3hbx h LEU 96 Ca 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3hbx h LEU 96 Cb 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hbx h LEU 96 CO -0.02 0.44 0.14 -0.61 0.09 0.00 0.00 178.44 178.48 3hbx h GLN 97 N 0.74 0.69 -0.67 1.13 -0.00 -1.25 -1.67 115.11 114.10 3hbx h GLN 97 Ca 0.27 -0.15 -0.01 0.00 -0.00 0.00 0.00 58.65 58.75 3hbx h GLN 97 Cb 0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.49 3hbx h GLN 97 CO -0.08 0.67 0.36 -0.91 0.00 0.00 0.00 178.83 178.87 3hbx h ASN 98 N 0.58 0.84 -0.76 -0.69 2.35 -0.59 -1.97 115.58 115.33 3hbx h ASN 98 Ca 0.14 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 3hbx h ASN 98 Cb 0.27 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 3hbx h ASN 98 CO -0.00 0.70 0.33 0.03 -1.65 0.00 0.00 177.43 176.84 3hbx h ARG 99 N 0.91 1.13 -0.53 0.81 3.08 -0.75 -0.78 114.38 118.25 3hbx h ARG 99 Ca 0.23 -0.19 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 3hbx h ARG 99 Cb 0.05 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.88 3hbx h ARG 99 CO -0.04 0.90 0.26 0.00 -1.07 0.00 0.00 179.97 180.03 3hbx h VAL 101 N 0.72 1.01 -0.06 0.00 2.07 -0.90 0.38 116.25 119.48 3hbx h VAL 101 Ca 0.18 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3hbx h VAL 101 Cb 0.11 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 3hbx h VAL 101 CO -0.02 0.07 -0.02 0.78 0.02 0.00 0.00 177.57 178.40 3hbx h ASN 102 N 0.41 -0.06 -0.67 0.57 2.35 -0.81 0.52 115.58 117.89 3hbx h ASN 102 Ca 0.15 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 3hbx h ASN 102 Cb 0.03 0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3hbx h ASN 102 CO -0.08 -0.02 0.10 0.24 -1.65 0.00 0.00 177.43 176.01 3hbx h MET 103 N -0.00 1.12 -0.29 0.81 2.86 -0.60 -0.95 114.93 117.88 3hbx h MET 103 Ca 0.03 -0.31 -0.14 0.00 -2.06 0.00 0.00 59.70 57.22 3hbx h MET 103 Cb 0.04 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3hbx h MET 103 CO -0.06 1.03 -0.39 0.82 1.06 0.00 0.00 176.91 179.37 3hbx h ILE 104 N 1.04 1.29 -0.03 -1.22 2.04 -0.85 -1.33 117.51 118.45 3hbx h ILE 104 Ca 0.20 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3hbx h ILE 104 Cb 0.46 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3hbx h ILE 104 CO 0.02 0.50 0.02 0.00 0.00 0.00 0.00 178.15 178.69 3hbx h ALA 105 N 0.98 0.04 -0.62 1.87 0.00 -0.40 -1.33 119.26 119.80 3hbx h ALA 105 Ca 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3hbx h ALA 105 Cb 0.93 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3hbx h ALA 105 CO 0.08 -0.46 0.24 0.45 0.00 0.00 0.00 179.25 179.56 3hbx h HIS 106 N 0.04 0.91 -0.20 0.00 3.86 -1.17 -1.43 115.15 117.16 3hbx h HIS 106 Ca 0.01 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.18 3hbx h HIS 106 Cb -0.00 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.18 3hbx h HIS 106 CO -0.08 0.71 0.13 1.25 0.86 0.00 0.00 177.93 180.80 3hbx h LEU 107 N 0.89 0.18 -2.59 2.43 5.85 -0.72 0.39 115.31 121.74 3hbx h LEU 107 Ca 0.21 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3hbx h LEU 107 Cb 0.18 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3hbx h LEU 107 CO -0.02 0.13 0.00 0.49 -0.34 0.00 0.00 178.44 178.70 3hbx n PHE 108 N -4.51 1.22 -3.07 1.25 3.72 -0.55 -4.91 117.46 110.61 3hbx n PHE 108 Ca 0.00 -0.48 -0.23 0.00 -0.05 0.00 0.00 57.45 56.69 3hbx n PHE 108 Cb 0.12 -0.21 0.04 0.00 -0.94 0.00 0.00 39.48 38.49 3hbx n PHE 108 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3hbx n ASN 109 N 0.88 -6.12 -4.73 4.37 3.02 0.13 -2.37 115.26 110.43 3hbx n ASN 109 Ca 0.21 -0.31 -0.37 0.00 -0.03 0.00 0.00 54.58 54.08 3hbx n ASN 109 Cb 0.75 -4.94 0.07 0.00 -0.61 0.00 0.00 39.78 35.05 3hbx n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbx s ALA 110 N -3.19 2.36 -1.04 5.41 0.00 -0.61 -4.29 121.76 120.40 3hbx s ALA 110 Ca 0.33 1.17 -0.23 0.00 0.00 0.00 0.00 51.96 53.22 3hbx s ALA 110 Cb -0.15 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3hbx s ALA 110 CO 0.41 -1.60 1.92 -2.14 0.00 0.00 0.00 175.76 174.35 3hbx s PRO 111 N -3.43 2.61 0.19 0.00 0.02 -1.26 -4.85 135.00 128.28 3hbx s PRO 111 Ca 0.81 -0.74 0.11 0.00 0.02 0.00 0.00 61.00 61.20 3hbx s PRO 111 Cb -0.36 -5.16 -0.04 0.00 0.02 0.00 0.00 34.50 28.95 3hbx s PRO 111 CO 0.40 -3.56 -0.23 -0.51 -0.33 0.00 0.00 177.00 172.77 3hbx s LEU 112 N 10.14 2.44 -0.78 -5.54 1.43 -1.26 -4.98 118.68 120.12 3hbx s LEU 112 Ca 0.68 -0.87 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3hbx s LEU 112 Cb -0.04 -1.10 0.39 0.00 0.03 0.00 0.00 46.19 45.47 3hbx s LEU 112 CO 0.05 0.09 2.03 -0.62 0.23 0.00 0.00 176.35 178.13 3hbx n GLU 113 N 0.27 2.74 0.00 1.70 1.02 -1.26 -4.95 120.64 120.15 3hbx n GLU 113 Ca -0.13 -3.45 0.00 0.00 -0.02 0.00 0.00 57.16 53.57 3hbx n GLU 113 Cb 0.56 -2.28 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 3hbx n GLU 113 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3hbx n GLU 114 N -0.67 0.00 -0.24 3.49 0.00 -1.26 -3.67 120.64 118.28 3hbx n GLU 114 Ca 0.57 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.79 3hbx n GLU 114 Cb 0.38 0.00 0.17 0.00 0.00 0.00 0.00 31.44 32.00 3hbx n GLU 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hbx n ALA 115 N 0.00 2.41 -1.88 4.31 0.00 -1.26 -5.02 120.51 119.08 3hbx n ALA 115 Ca 0.00 -1.54 -0.33 0.00 0.00 0.00 0.00 53.44 51.57 3hbx n ALA 115 Cb 0.00 -0.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 3hbx n ALA 115 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hbx s GLU 116 N -1.63 4.18 -0.12 0.00 2.12 -1.24 -5.03 118.70 116.98 3hbx s GLU 116 Ca 0.27 1.03 -0.26 0.00 0.36 0.00 0.00 54.97 56.38 3hbx s GLU 116 Cb 0.18 -2.22 -0.02 0.00 0.26 0.00 0.00 34.13 32.33 3hbx s GLU 116 CO 0.12 -0.00 0.83 0.99 -0.54 0.00 0.00 175.26 176.66 3hbx s THR 117 N -2.16 4.91 0.74 -1.70 2.01 -1.26 -4.85 115.64 113.33 3hbx s THR 117 Ca 0.61 1.68 -0.11 0.00 0.31 0.00 0.00 61.69 64.18 3hbx s THR 117 Cb -0.09 -4.15 0.03 0.00 0.01 0.00 0.00 72.50 68.30 3hbx s THR 117 CO 0.14 0.10 1.07 0.00 -0.69 0.00 0.00 174.62 175.24 3hbx s ALA 118 N 1.66 2.48 -0.36 7.40 0.00 -1.26 -5.03 121.76 126.66 3hbx s ALA 118 Ca 0.41 0.04 -0.10 0.00 0.00 0.00 0.00 51.96 52.30 3hbx s ALA 118 Cb -0.18 -3.17 0.02 0.00 0.00 0.00 0.00 23.12 19.79 3hbx s ALA 118 CO 0.16 -1.45 0.19 0.08 0.00 0.00 0.00 175.76 174.74 3hbx s VAL 119 N -3.05 4.55 0.00 0.00 1.01 -1.26 -4.89 120.40 116.76 3hbx s VAL 119 Ca 0.59 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3hbx s VAL 119 Cb -0.15 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.75 3hbx s VAL 119 CO 0.55 -0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3hbx n GLY 120 N 4.99 0.60 3.07 4.51 0.00 -1.26 -0.60 105.19 116.49 3hbx n GLY 120 Ca -0.12 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 3hbx n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hbx s VAL 121 N -2.00 0.10 0.22 1.61 -7.23 -0.76 -4.98 120.40 107.35 3hbx s VAL 121 Ca 0.00 -0.83 -0.26 0.00 -1.81 0.00 0.00 61.98 59.08 3hbx s VAL 121 Cb 0.00 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.41 3hbx s VAL 121 CO 0.00 -0.46 0.84 -0.83 -0.31 0.00 0.00 175.10 174.34 3hbx s GLY 122 N -1.52 2.92 0.40 2.32 0.00 -1.26 -2.00 107.32 108.17 3hbx s GLY 122 Ca -0.14 0.43 0.04 0.00 0.00 0.00 0.00 44.72 45.05 3hbx s GLY 122 CO -0.00 0.93 0.13 -0.51 0.00 0.00 0.00 173.10 173.65 3hbx s THR 123 N -1.27 0.59 0.27 0.90 -4.23 0.13 -4.95 115.64 107.08 3hbx s THR 123 Ca 0.40 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3hbx s THR 123 Cb -0.22 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.28 3hbx s THR 123 CO 0.27 0.00 1.68 0.58 -0.54 0.00 0.00 174.62 176.60 3hbx h VAL 124 N 1.82 1.29 -1.84 2.29 2.07 -1.83 0.36 116.25 120.42 3hbx h VAL 124 Ca -0.35 -1.46 0.09 0.00 0.82 0.00 0.00 66.70 65.80 3hbx h VAL 124 Cb 1.27 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.58 3hbx h VAL 124 CO 0.56 0.45 0.29 0.61 0.02 0.00 0.00 177.57 179.50 3hbx n GLY 125 N -0.19 0.82 0.22 2.17 0.00 -1.26 -0.71 105.19 106.24 3hbx n GLY 125 Ca -0.01 -0.98 0.07 0.00 0.00 0.00 0.00 46.02 45.09 3hbx n GLY 125 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3hbx h SER 126 N 0.82 0.00 0.05 1.61 0.02 -1.86 -2.50 113.55 111.69 3hbx h SER 126 Ca -0.10 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 3hbx h SER 126 Cb 0.49 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3hbx h SER 126 CO 0.14 0.24 -0.26 -1.28 -1.14 0.00 0.00 176.83 174.53 3hbx h SER 127 N 0.00 -0.76 -0.04 3.07 0.87 -1.97 0.50 113.55 115.23 3hbx h SER 127 Ca -0.00 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.55 3hbx h SER 127 Cb 0.48 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 3hbx h SER 127 CO 0.03 -0.34 -0.30 -0.08 -0.53 0.00 0.00 176.83 175.61 3hbx h GLU 128 N -0.43 0.50 -0.74 2.24 4.81 -1.94 -2.62 114.58 116.39 3hbx h GLU 128 Ca 0.05 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.03 3hbx h GLU 128 Cb 0.49 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3hbx h GLU 128 CO -0.19 0.75 0.31 0.00 -0.73 0.00 0.00 179.01 179.14 3hbx h ALA 129 N 1.25 0.96 -0.65 2.92 0.00 -0.94 -1.50 119.26 121.30 3hbx h ALA 129 Ca 0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3hbx h ALA 129 Cb 0.75 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 3hbx h ALA 129 CO 0.06 0.57 0.10 0.82 0.00 0.00 0.00 179.25 180.79 3hbx h ILE 130 N 1.06 1.26 0.00 0.00 2.04 0.18 -0.95 117.51 121.10 3hbx h ILE 130 Ca 0.25 -1.05 -0.12 0.00 1.00 0.00 0.00 64.86 64.94 3hbx h ILE 130 Cb 0.19 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.92 3hbx h ILE 130 CO -0.02 0.39 -0.59 0.24 0.00 0.00 0.00 178.15 178.16 3hbx h MET 131 N 1.01 0.00 -0.18 2.37 2.86 -1.22 0.21 114.93 119.98 3hbx h MET 131 Ca 0.20 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.68 3hbx h MET 131 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3hbx h MET 131 CO 0.01 0.59 -0.51 -0.07 1.06 0.00 0.00 176.91 178.00 3hbx h LEU 132 N 0.00 0.75 -0.64 1.22 3.38 -1.12 -1.21 115.31 117.70 3hbx h LEU 132 Ca -0.01 -0.59 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 3hbx h LEU 132 Cb 1.09 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.59 3hbx h LEU 132 CO 0.08 1.21 0.37 0.00 0.09 0.00 0.00 178.44 180.18 3hbx h ALA 133 N 0.57 0.82 -0.32 1.53 0.00 -0.91 -1.26 119.26 119.69 3hbx h ALA 133 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3hbx h ALA 133 Cb 1.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3hbx h ALA 133 CO 0.11 0.33 0.16 0.78 0.00 0.00 0.00 179.25 180.62 3hbx h GLY 134 N 0.88 0.50 0.63 0.00 0.00 -0.58 -1.64 103.07 102.86 3hbx h GLY 134 Ca 0.23 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.38 3hbx h GLY 134 CO -0.04 0.23 0.31 1.41 0.00 0.00 0.00 176.54 178.46 3hbx h LEU 135 N 0.39 0.44 -0.63 3.11 3.38 -0.95 0.19 115.31 121.24 3hbx h LEU 135 Ca 0.11 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hbx h LEU 135 Cb 0.12 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3hbx h LEU 135 CO -0.01 0.28 0.39 0.00 0.09 0.00 0.00 178.44 179.19 3hbx h ALA 136 N 1.34 0.80 0.05 1.53 0.00 -1.02 -0.19 119.26 121.77 3hbx h ALA 136 Ca 0.28 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hbx h ALA 136 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hbx h ALA 136 CO -0.20 0.26 -0.02 0.74 0.00 0.00 0.00 179.25 180.03 3hbx h PHE 137 N 0.85 -0.06 0.01 0.00 0.04 -0.59 -0.44 116.94 116.75 3hbx h PHE 137 Ca 0.23 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 61.01 3hbx h PHE 137 Cb -0.05 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3hbx h PHE 137 CO -0.02 0.11 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.49 3hbx h LYS 138 N -0.22 -0.15 -0.25 1.51 3.64 -0.45 -0.37 116.57 120.28 3hbx h LYS 138 Ca -0.01 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3hbx h LYS 138 Cb 0.20 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 3hbx h LYS 138 CO 0.01 -0.10 0.13 -0.09 -2.27 0.00 0.00 179.45 177.13 3hbx h ARG 139 N -0.16 0.35 -0.56 1.90 9.65 -1.03 0.20 114.38 124.74 3hbx h ARG 139 Ca 0.03 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3hbx h ARG 139 Cb 0.20 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 3hbx h ARG 139 CO -0.09 0.33 0.37 -0.22 2.80 0.00 0.00 179.97 183.16 3hbx h LYS 140 N 0.29 0.67 -0.10 0.20 3.64 -0.90 0.10 116.57 120.46 3hbx h LYS 140 Ca 0.09 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 3hbx h LYS 140 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3hbx h LYS 140 CO -0.01 0.44 -0.39 2.35 -2.27 0.00 0.00 179.45 179.57 3hbx h TRP 141 N 0.69 0.58 -0.25 1.91 7.01 -0.51 -2.54 115.95 122.85 3hbx h TRP 141 Ca 0.22 -0.25 0.04 0.00 2.11 0.00 0.00 58.89 61.01 3hbx h TRP 141 Cb 0.03 -0.09 -0.03 0.00 -2.10 0.00 0.00 29.16 26.96 3hbx h TRP 141 CO -0.00 0.99 0.04 1.96 -2.79 0.00 0.00 178.44 178.64 3hbx h GLN 142 N -0.00 0.12 -0.28 2.65 4.20 0.02 -1.31 115.11 120.51 3hbx h GLN 142 Ca -0.02 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.72 3hbx h GLN 142 Cb 1.03 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.74 3hbx h GLN 142 CO 0.08 0.08 0.06 -0.91 -0.67 0.00 0.00 178.83 177.47 3hbx h ASN 143 N 0.13 0.02 -0.77 1.46 2.35 -1.04 0.67 115.58 118.40 3hbx h ASN 143 Ca 0.11 0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.93 3hbx h ASN 143 Cb 0.12 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.51 3hbx h ASN 143 CO -0.16 0.05 0.50 0.50 -1.65 0.00 0.00 177.43 176.66 3hbx h LYS 144 N 0.17 0.97 -0.11 0.81 3.64 -1.16 -1.63 116.57 119.24 3hbx h LYS 144 Ca 0.13 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 3hbx h LYS 144 Cb 0.13 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3hbx h LYS 144 CO -0.17 0.64 -0.26 0.00 -2.27 0.00 0.00 179.45 177.39 3hbx h ARG 145 N 1.00 0.38 -0.30 1.90 2.47 -0.92 -2.91 114.38 115.99 3hbx h ARG 145 Ca 0.29 -0.25 0.05 0.00 -1.26 0.00 0.00 59.98 58.81 3hbx h ARG 145 Cb -0.06 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.28 3hbx h ARG 145 CO -0.08 0.86 0.21 0.87 0.56 0.00 0.00 179.97 182.38 3hbx h LYS 146 N -0.05 0.20 0.00 0.04 1.57 -0.72 0.67 116.57 118.28 3hbx h LYS 146 Ca -0.00 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 3hbx h LYS 146 Cb 0.86 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3hbx h LYS 146 CO 0.06 0.13 -0.27 0.00 -0.57 0.00 0.00 179.45 178.80 3hbx h ALA 147 N 1.84 0.99 -0.25 3.86 0.00 -1.19 -2.57 119.26 121.92 3hbx h ALA 147 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3hbx h ALA 147 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3hbx h ALA 147 CO -0.02 0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.95 3hbx n GLU 148 N -3.40 2.32 0.00 0.00 1.02 0.08 -4.94 120.64 115.73 3hbx n GLU 148 Ca 0.00 -1.97 0.00 0.00 -0.02 0.00 0.00 57.16 55.17 3hbx n GLU 148 Cb 0.47 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.41 3hbx n GLU 148 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hbx n GLY 149 N 1.40 3.00 3.66 0.62 0.00 -0.37 -5.00 105.19 108.50 3hbx n GLY 149 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.87 3hbx n GLY 149 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hbx n LYS 150 N -2.00 -0.19 -2.14 1.61 5.02 -0.52 -4.85 118.16 115.09 3hbx n LYS 150 Ca 0.00 0.02 -0.33 0.00 -2.02 0.00 0.00 58.31 55.97 3hbx n LYS 150 Cb 0.00 -2.35 0.01 0.00 -0.02 0.00 0.00 35.03 32.66 3hbx n LYS 150 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hbx s PRO 151 N -4.32 3.34 -0.11 1.97 0.02 -1.26 -4.15 135.00 130.48 3hbx s PRO 151 Ca 0.69 1.33 0.21 0.00 0.02 0.00 0.00 61.00 63.25 3hbx s PRO 151 Cb -0.26 -2.03 0.45 0.00 0.02 0.00 0.00 34.50 32.68 3hbx s PRO 151 CO 0.56 -0.81 1.17 1.33 -0.33 0.00 0.00 177.00 178.92 3hbx n VAL 152 N -1.76 0.84 1.01 3.83 0.24 -1.26 -4.86 118.33 116.37 3hbx n VAL 152 Ca 0.10 -2.03 0.11 0.00 -2.04 0.00 0.00 64.34 60.47 3hbx n VAL 152 Cb 0.52 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.58 3hbx n VAL 152 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 3hbx n ASP 153 N -0.11 1.69 -3.13 -1.34 5.75 -1.26 -4.61 116.55 113.54 3hbx n ASP 153 Ca 0.11 -1.33 -0.21 0.00 -0.01 0.00 0.00 54.79 53.35 3hbx n ASP 153 Cb 0.98 0.60 -0.04 0.00 -1.03 0.00 0.00 41.12 41.63 3hbx n ASP 153 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3hbx n LYS 154 N -0.47 1.63 -2.12 0.11 5.02 -1.26 -5.10 118.16 115.97 3hbx n LYS 154 Ca 0.08 -3.83 -0.34 0.00 -2.02 0.00 0.00 58.31 52.20 3hbx n LYS 154 Cb 0.42 -1.83 0.01 0.00 -0.02 0.00 0.00 35.03 33.61 3hbx n LYS 154 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3hbx s PRO 155 N -2.61 3.25 0.12 1.97 0.02 -1.26 -4.77 135.00 131.72 3hbx s PRO 155 Ca 0.42 1.45 -0.07 0.00 0.02 0.00 0.00 61.00 62.82 3hbx s PRO 155 Cb 0.31 -2.01 -0.01 0.00 0.02 0.00 0.00 34.50 32.81 3hbx s PRO 155 CO -0.10 -0.90 0.19 0.54 -0.33 0.00 0.00 177.00 176.40 3hbx s ASN 156 N -2.20 0.15 0.02 2.53 2.20 0.32 -0.89 114.94 117.06 3hbx s ASN 156 Ca 0.69 -0.85 0.06 0.00 -0.94 0.00 0.00 52.86 51.81 3hbx s ASN 156 Cb -0.21 0.36 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 3hbx s ASN 156 CO 0.32 -0.79 -0.18 -0.63 -2.94 0.00 0.00 177.10 172.89 3hbx s ILE 157 N -3.94 1.39 -0.22 0.54 1.01 0.61 -0.63 121.20 119.96 3hbx s ILE 157 Ca 0.13 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.78 3hbx s ILE 157 Cb 0.05 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 3hbx s ILE 157 CO -0.05 0.23 -0.03 -0.69 0.00 0.00 0.00 174.94 174.40 3hbx s VAL 158 N -0.64 3.48 0.32 2.92 1.01 -0.99 -0.68 120.40 125.81 3hbx s VAL 158 Ca 0.06 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3hbx s VAL 158 Cb -0.08 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.70 3hbx s VAL 158 CO 0.01 0.42 0.35 0.42 0.00 0.00 0.00 175.10 176.29 3hbx s THR 159 N 1.46 0.00 0.62 3.92 -4.23 -0.75 -1.06 115.64 115.60 3hbx s THR 159 Ca 0.05 -1.82 -0.06 0.00 -1.18 0.00 0.00 61.69 58.68 3hbx s THR 159 Cb -0.14 -2.55 0.02 0.00 1.34 0.00 0.00 72.50 71.17 3hbx s THR 159 CO -0.02 0.00 0.92 -0.83 -0.54 0.00 0.00 174.62 174.15 3hbx s GLY 160 N -3.29 1.63 0.17 3.99 0.00 -1.26 -0.02 107.32 108.55 3hbx s GLY 160 Ca 0.36 -0.77 0.21 0.00 0.00 0.00 0.00 44.72 44.52 3hbx s GLY 160 CO 0.23 -0.46 1.64 0.00 0.00 0.00 0.00 173.10 174.50 3hbx n ALA 161 N -2.66 1.69 1.96 3.20 0.00 0.06 -1.69 120.51 123.08 3hbx n ALA 161 Ca 0.05 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.58 3hbx n ALA 161 Cb 0.58 -1.34 0.28 0.00 0.00 0.00 0.00 19.45 18.96 3hbx n ALA 161 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3hbx n ASN 162 N -2.00 0.00 -4.76 0.00 6.94 -1.26 -4.84 115.26 109.34 3hbx n ASN 162 Ca 0.03 -1.67 -0.41 0.00 -0.02 0.00 0.00 54.58 52.51 3hbx n ASN 162 Cb 0.22 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.65 3hbx n ASN 162 CO 0.00 0.00 0.00 0.55 -1.03 0.00 0.00 177.26 176.78 3hbx n VAL 163 N -0.65 2.31 -2.74 3.53 3.14 -0.68 -4.74 118.33 118.50 3hbx n VAL 163 Ca 0.07 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.60 3hbx n VAL 163 Cb 0.03 -1.87 -0.06 0.00 -1.06 0.00 0.00 33.84 30.89 3hbx n VAL 163 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 3hbx s GLN 164 N -2.21 4.30 0.57 1.45 -0.44 -1.26 -4.92 119.66 117.16 3hbx s GLN 164 Ca 0.57 1.27 0.34 0.00 -2.50 0.00 0.00 55.36 55.04 3hbx s GLN 164 Cb -0.48 -2.44 1.44 0.00 -1.64 0.00 0.00 33.01 29.89 3hbx s GLN 164 CO 0.61 0.02 1.71 0.28 0.50 0.00 0.00 175.29 178.41 3hbx h VAL 165 N 2.16 0.27 0.00 1.34 2.07 -2.00 -1.23 116.25 118.86 3hbx h VAL 165 Ca -0.48 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3hbx h VAL 165 Cb 1.19 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 3hbx h VAL 165 CO 0.62 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 178.13 3hbx h TRP 167 N 0.00 0.00 -0.16 0.00 4.06 -1.59 -2.13 115.95 116.12 3hbx h TRP 167 Ca -0.00 0.00 -0.21 0.00 2.06 0.00 0.00 58.89 60.74 3hbx h TRP 167 Cb 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.33 3hbx h TRP 167 CO 0.00 0.62 -0.72 0.93 -3.56 0.00 0.00 178.44 175.72 3hbx h GLU 168 N 0.00 0.71 0.17 0.49 5.08 -1.24 -1.52 114.58 118.28 3hbx h GLU 168 Ca -0.01 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.80 3hbx h GLU 168 Cb 1.37 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.72 3hbx h GLU 168 CO 0.08 1.17 -0.11 0.87 -1.00 0.00 0.00 179.01 180.02 3hbx h LYS 169 N 0.50 -0.26 -0.18 2.33 1.57 -1.15 -1.55 116.57 117.83 3hbx h LYS 169 Ca -0.03 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hbx h LYS 169 Cb 1.33 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 33.65 3hbx h LYS 169 CO 0.14 -0.18 -0.10 0.35 -0.57 0.00 0.00 179.45 179.10 3hbx h PHE 170 N -0.27 -0.23 -0.45 -1.35 3.57 -1.37 0.25 116.94 117.08 3hbx h PHE 170 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3hbx h PHE 170 Cb 0.23 0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.05 3hbx h PHE 170 CO -0.09 -0.15 0.11 0.00 -2.23 0.00 0.00 178.31 175.95 3hbx h ALA 171 N 1.07 0.51 -0.14 2.41 0.00 -1.15 0.58 119.26 122.54 3hbx h ALA 171 Ca 0.10 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3hbx h ALA 171 Cb 0.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3hbx h ALA 171 CO -0.23 -0.29 -0.27 -0.09 0.00 0.00 0.00 179.25 178.37 3hbx h ARG 172 N 0.26 0.43 -0.00 0.00 2.43 -0.90 0.20 114.38 116.80 3hbx h ARG 172 Ca 0.22 -0.28 -0.20 0.00 -0.81 0.00 0.00 59.98 58.91 3hbx h ARG 172 Cb 0.25 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 3hbx h ARG 172 CO -0.26 0.88 -0.87 1.88 -1.51 0.00 0.00 179.97 180.08 3hbx h TYR 173 N 0.04 0.37 -0.51 2.20 0.05 -0.82 -3.19 116.97 115.11 3hbx h TYR 173 Ca 0.01 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.59 3hbx h TYR 173 Cb 0.86 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.56 3hbx h TYR 173 CO 0.10 1.01 0.00 1.19 -1.05 0.00 0.00 178.16 179.41 3hbx n PHE 174 N -3.69 1.52 -3.79 4.88 3.72 0.18 -4.98 117.46 115.30 3hbx n PHE 174 Ca -0.04 -0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 56.34 3hbx n PHE 174 Cb 0.80 -0.35 0.02 0.00 -0.94 0.00 0.00 39.48 39.02 3hbx n PHE 174 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hbx n GLU 175 N 0.50 -1.91 -4.92 -1.08 1.02 -0.68 -4.97 120.64 108.61 3hbx n GLU 175 Ca 0.25 0.42 -0.28 0.00 -0.02 0.00 0.00 57.16 57.53 3hbx n GLU 175 Cb 0.98 -4.17 -0.15 0.00 -0.02 0.00 0.00 31.44 28.08 3hbx n GLU 175 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hbx s VAL 176 N -3.63 1.78 0.05 2.62 1.01 0.63 -4.72 120.40 118.15 3hbx s VAL 176 Ca 0.32 -1.10 -0.28 0.00 0.00 0.00 0.00 61.98 60.92 3hbx s VAL 176 Cb -0.12 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 3hbx s VAL 176 CO 0.88 0.38 0.88 -0.70 0.00 0.00 0.00 175.10 176.54 3hbx s GLU 177 N -0.84 4.59 -0.45 2.72 2.12 -0.07 -4.40 118.70 122.36 3hbx s GLU 177 Ca 0.09 1.28 -0.15 0.00 0.36 0.00 0.00 54.97 56.55 3hbx s GLU 177 Cb -0.09 -3.40 0.06 0.00 0.26 0.00 0.00 34.13 30.96 3hbx s GLU 177 CO 0.00 0.16 0.35 -1.17 -0.54 0.00 0.00 175.26 174.07 3hbx s LEU 178 N 0.27 5.42 -0.42 2.70 2.96 -1.26 -0.29 118.68 128.07 3hbx s LEU 178 Ca 0.45 -1.21 -0.19 0.00 -0.22 0.00 0.00 54.13 52.95 3hbx s LEU 178 Cb -0.21 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3hbx s LEU 178 CO 0.26 -0.58 0.54 -0.54 -1.32 0.00 0.00 176.35 174.71 3hbx s LYS 179 N 1.63 3.27 -0.15 1.98 1.02 0.15 -4.97 119.74 122.66 3hbx s LYS 179 Ca 0.04 -0.49 -0.06 0.00 0.02 0.00 0.00 55.97 55.49 3hbx s LYS 179 Cb -0.23 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 3hbx s LYS 179 CO 0.07 -0.88 0.04 -1.21 -0.92 0.00 0.00 175.35 172.46 3hbx s GLU 180 N 2.47 3.65 -0.33 1.68 2.02 -1.26 -1.81 118.70 125.12 3hbx s GLU 180 Ca 0.18 -0.36 -0.25 0.00 0.02 0.00 0.00 54.97 54.56 3hbx s GLU 180 Cb -0.16 -3.07 0.01 0.00 0.10 0.00 0.00 34.13 31.01 3hbx s GLU 180 CO 0.16 0.43 0.87 0.08 0.02 0.00 0.00 175.26 176.82 3hbx s VAL 181 N -0.09 4.69 0.69 2.63 1.01 0.97 -4.82 120.40 125.49 3hbx s VAL 181 Ca 0.06 1.25 -0.14 0.00 0.00 0.00 0.00 61.98 63.14 3hbx s VAL 181 Cb -0.12 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.03 3hbx s VAL 181 CO 0.01 -0.38 1.12 -0.54 0.00 0.00 0.00 175.10 175.32 3hbx s LYS 182 N 3.21 2.60 0.23 2.72 1.02 -1.26 -0.77 119.74 127.49 3hbx s LYS 182 Ca 0.36 1.40 -0.11 0.00 0.02 0.00 0.00 55.97 57.64 3hbx s LYS 182 Cb -0.13 -1.92 -0.07 0.00 -0.52 0.00 0.00 37.83 35.18 3hbx s LYS 182 CO 0.15 -1.41 0.56 -0.51 -0.92 0.00 0.00 175.35 173.23 3hbx s LEU 183 N -5.10 4.18 0.23 3.17 1.02 0.04 -4.74 118.68 117.48 3hbx s LEU 183 Ca 0.67 0.97 0.09 0.00 0.02 0.00 0.00 54.13 55.87 3hbx s LEU 183 Cb -0.21 -3.68 -0.04 0.00 0.02 0.00 0.00 46.19 42.28 3hbx s LEU 183 CO 0.45 -0.07 -0.03 -0.44 0.02 0.00 0.00 176.35 176.28 3hbx s SER 184 N -2.29 4.48 0.11 2.29 0.01 -0.94 0.88 113.70 118.24 3hbx s SER 184 Ca 0.47 -0.61 -0.32 0.00 1.31 0.00 0.00 55.95 56.81 3hbx s SER 184 Cb -0.11 -0.82 -0.11 0.00 0.21 0.00 0.00 66.02 65.18 3hbx s SER 184 CO 0.21 0.04 1.83 1.21 0.41 0.00 0.00 173.24 176.94 3hbx n GLU 185 N -0.56 2.73 -0.85 12.44 2.13 -1.26 -0.72 120.64 134.55 3hbx n GLU 185 Ca -0.08 0.99 0.00 0.00 0.66 0.00 0.00 57.16 58.73 3hbx n GLU 185 Cb 0.58 -2.88 0.00 0.00 0.27 0.00 0.00 31.44 29.41 3hbx n GLU 185 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3hbx n GLY 186 N 4.21 0.92 2.64 8.31 0.00 -1.26 -4.97 105.19 115.03 3hbx n GLY 186 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 3hbx n GLY 186 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hbx s TYR 187 N -3.68 1.40 -1.49 1.61 5.04 0.10 -5.00 117.35 115.34 3hbx s TYR 187 Ca 0.00 -1.86 0.15 0.00 -2.44 0.00 0.00 57.07 52.92 3hbx s TYR 187 Cb 0.00 -1.48 0.36 0.00 0.35 0.00 0.00 41.96 41.18 3hbx s TYR 187 CO 0.00 -0.83 1.27 0.66 -1.34 0.00 0.00 175.55 175.31 3hbx n TYR 188 N 4.23 0.49 -4.19 4.97 4.01 -1.26 -2.22 117.16 123.19 3hbx n TYR 188 Ca 0.05 -0.37 -0.28 0.00 -0.16 0.00 0.00 57.90 57.14 3hbx n TYR 188 Cb 0.38 -0.01 -0.04 0.00 -0.31 0.00 0.00 39.34 39.36 3hbx n TYR 188 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hbx s VAL 189 N -1.08 1.61 -0.03 -0.72 -7.23 -1.26 -4.75 120.40 106.93 3hbx s VAL 189 Ca 0.29 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.48 3hbx s VAL 189 Cb 0.16 -2.29 -0.03 0.00 0.56 0.00 0.00 36.38 34.78 3hbx s VAL 189 CO 0.22 0.00 1.05 -0.32 -0.31 0.00 0.00 175.10 175.73 3hbx s MET 190 N -4.10 4.47 -0.33 4.82 1.75 -1.26 -4.90 119.30 119.76 3hbx s MET 190 Ca 0.26 1.49 -0.29 0.00 -1.25 0.00 0.00 55.69 55.90 3hbx s MET 190 Cb -0.00 -3.48 0.01 0.00 2.84 0.00 0.00 34.83 34.19 3hbx s MET 190 CO 0.16 -0.21 1.22 0.34 -0.65 0.00 0.00 175.02 175.88 3hbx s ASP 191 N 1.11 6.73 0.25 1.11 2.15 -1.26 -4.75 116.67 122.00 3hbx s ASP 191 Ca 0.52 1.07 -0.04 0.00 0.43 0.00 0.00 52.55 54.53 3hbx s ASP 191 Cb -0.22 -2.54 0.47 0.00 -0.30 0.00 0.00 42.92 40.33 3hbx s ASP 191 CO 0.24 -1.05 1.71 -0.65 -0.17 0.00 0.00 175.17 175.25 3hbx h PRO 192 N 8.99 0.36 0.65 4.34 0.11 -1.94 -1.64 132.00 142.87 3hbx h PRO 192 Ca -0.24 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.82 3hbx h PRO 192 Cb 1.08 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3hbx h PRO 192 CO 1.04 0.24 -0.33 0.37 -0.21 0.00 0.00 178.00 179.12 3hbx h GLN 193 N 0.37 -0.86 -0.59 1.05 5.75 -1.94 -1.19 115.11 117.70 3hbx h GLN 193 Ca 0.42 0.06 0.09 0.00 -0.15 0.00 0.00 58.65 59.07 3hbx h GLN 193 Cb 0.67 0.19 -0.04 0.00 1.07 0.00 0.00 27.48 29.38 3hbx h GLN 193 CO -0.45 -0.57 0.40 1.96 -2.65 0.00 0.00 178.83 177.52 3hbx h GLN 194 N -0.89 0.43 0.13 1.69 4.20 -1.91 -1.85 115.11 116.91 3hbx h GLN 194 Ca -0.09 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3hbx h GLN 194 Cb 0.69 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.38 3hbx h GLN 194 CO 0.13 0.28 -0.06 0.00 -0.67 0.00 0.00 178.83 178.51 3hbx h ALA 195 N 1.70 -0.17 -0.26 3.87 0.00 -0.89 -2.70 119.26 120.80 3hbx h ALA 195 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hbx h ALA 195 Cb 0.49 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3hbx h ALA 195 CO -0.08 -0.46 0.17 0.28 0.00 0.00 0.00 179.25 179.16 3hbx h VAL 196 N -0.44 1.07 0.00 0.00 2.07 -0.70 -1.40 116.25 116.85 3hbx h VAL 196 Ca -0.02 -0.13 -0.06 0.00 0.82 0.00 0.00 66.70 67.31 3hbx h VAL 196 Cb 0.35 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3hbx h VAL 196 CO 0.03 0.07 -0.27 0.44 0.02 0.00 0.00 177.57 177.85 3hbx h ASP 197 N 0.35 0.00 1.84 0.57 3.32 -1.21 -2.82 116.42 118.47 3hbx h ASP 197 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3hbx h ASP 197 Cb -0.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3hbx h ASP 197 CO -0.02 0.27 -0.16 0.24 -1.72 0.00 0.00 179.24 177.85 3hbx h MET 198 N 0.00 0.00 -6.62 3.56 2.86 -0.93 -3.46 114.93 110.34 3hbx h MET 198 Ca -0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 3hbx h MET 198 Cb 0.73 0.00 0.06 0.00 0.06 0.00 0.00 31.60 32.45 3hbx h MET 198 CO 0.04 0.04 0.96 0.28 1.06 0.00 0.00 176.91 179.29 3hbx n VAL 199 N -3.06 0.01 -4.13 -2.22 0.31 -1.07 -5.00 118.33 103.17 3hbx n VAL 199 Ca 0.03 -0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.29 3hbx n VAL 199 Cb 0.55 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.58 3hbx n VAL 199 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3hbx n ASP 200 N 3.83 0.85 0.31 4.52 5.68 -1.26 -5.03 116.55 125.46 3hbx n ASP 200 Ca 0.16 -1.62 0.20 0.00 -0.50 0.00 0.00 54.79 53.04 3hbx n ASP 200 Cb 0.33 0.32 1.02 0.00 -1.14 0.00 0.00 41.12 41.65 3hbx n ASP 200 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hbx h GLU 201 N 0.00 0.00 -0.25 0.11 9.09 -2.00 -2.18 114.58 119.36 3hbx h GLU 201 Ca -0.09 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3hbx h GLU 201 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3hbx h GLU 201 CO 0.14 0.01 0.00 0.09 0.05 0.00 0.00 179.01 179.29 3hbx n ASN 202 N -3.12 2.68 -4.61 3.06 3.02 -1.26 -4.88 115.26 110.14 3hbx n ASN 202 Ca -0.02 -1.87 -0.43 0.00 -0.03 0.00 0.00 54.58 52.23 3hbx n ASN 202 Cb 0.16 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 3hbx n ASN 202 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hbx s THR 203 N -1.69 4.23 -0.19 3.41 2.01 -0.82 -0.52 115.64 122.07 3hbx s THR 203 Ca 0.35 1.31 0.22 0.00 0.31 0.00 0.00 61.69 63.88 3hbx s THR 203 Cb 0.20 -4.47 0.24 0.00 0.01 0.00 0.00 72.50 68.48 3hbx s THR 203 CO 0.30 -0.81 1.63 0.16 -0.69 0.00 0.00 174.62 175.21 3hbx h ILE 204 N 6.12 0.38 -1.29 1.82 3.07 -1.21 -3.46 117.51 122.94 3hbx h ILE 204 Ca -0.23 -1.36 0.31 0.00 1.55 0.00 0.00 64.86 65.12 3hbx h ILE 204 Cb 1.07 2.04 -0.18 0.00 -0.27 0.00 0.00 36.82 39.49 3hbx h ILE 204 CO 1.09 0.20 0.89 0.00 -1.05 0.00 0.00 178.15 179.28 3hbx s VAL 206 N -2.26 3.85 -0.36 0.00 1.01 -0.35 -2.35 120.40 119.95 3hbx s VAL 206 Ca 0.12 -0.36 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 3hbx s VAL 206 Cb 0.01 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 3hbx s VAL 206 CO -0.04 0.36 0.34 0.00 0.00 0.00 0.00 175.10 175.76 3hbx s ALA 207 N 1.54 3.49 0.01 5.51 0.00 -0.23 -1.11 121.76 130.98 3hbx s ALA 207 Ca 0.06 -1.31 -0.04 0.00 0.00 0.00 0.00 51.96 50.67 3hbx s ALA 207 Cb -0.15 -2.82 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 3hbx s ALA 207 CO 0.00 -1.14 0.22 0.00 0.00 0.00 0.00 175.76 174.84 3hbx s ALA 208 N 1.95 3.93 -0.27 0.00 0.00 0.55 -4.51 121.76 123.41 3hbx s ALA 208 Ca 0.10 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.29 3hbx s ALA 208 Cb -0.17 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3hbx s ALA 208 CO 0.12 0.73 0.04 0.42 0.00 0.00 0.00 175.76 177.06 3hbx s ILE 209 N -1.36 3.81 -1.20 0.00 1.01 -1.26 0.20 121.20 122.41 3hbx s ILE 209 Ca 0.29 -0.60 -0.10 0.00 0.00 0.00 0.00 60.65 60.24 3hbx s ILE 209 Cb -0.13 -2.89 0.21 0.00 0.01 0.00 0.00 42.46 39.66 3hbx s ILE 209 CO 0.19 0.20 1.51 -0.11 0.00 0.00 0.00 174.94 176.74 3hbx n LEU 210 N 4.84 5.87 0.00 2.97 7.94 -0.49 -2.19 117.00 135.95 3hbx n LEU 210 Ca -0.16 -4.73 0.00 0.00 -1.11 0.00 0.00 56.01 50.01 3hbx n LEU 210 Cb 0.49 -1.50 0.00 0.00 0.53 0.00 0.00 43.42 42.94 3hbx n LEU 210 CO 0.30 1.17 0.00 0.61 -1.11 0.00 0.00 177.39 178.37 3hbx n GLY 211 N 3.05 0.95 3.76 -3.96 0.00 -1.05 -2.47 105.19 105.46 3hbx n GLY 211 Ca 0.34 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3hbx n GLY 211 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3hbx s SER 212 N 0.00 6.80 0.00 1.61 0.15 -0.49 -4.76 113.70 117.01 3hbx s SER 212 Ca 0.00 2.59 0.15 0.00 0.70 0.00 0.00 55.95 59.39 3hbx s SER 212 Cb 0.00 -2.63 0.74 0.00 -1.71 0.00 0.00 66.02 62.42 3hbx s SER 212 CO 0.00 -0.54 1.39 0.35 1.20 0.00 0.00 173.24 175.63 3hbx n THR 213 N 1.56 0.56 -0.04 6.45 -2.24 -1.26 0.20 114.28 119.51 3hbx n THR 213 Ca 0.03 0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.77 3hbx n THR 213 Cb 0.42 -0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 67.61 3hbx n THR 213 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3hbx n LEU 214 N -1.27 2.28 -0.25 3.22 4.77 -1.26 -4.71 117.00 119.78 3hbx n LEU 214 Ca 0.07 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 3hbx n LEU 214 Cb 0.11 -0.77 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3hbx n LEU 214 CO 0.11 0.78 0.20 -0.46 -1.33 0.00 0.00 177.39 176.69 3hbx n ASN 215 N -3.31 0.00 -1.03 -1.43 6.94 -1.19 -4.87 115.26 110.36 3hbx n ASN 215 Ca -0.33 -1.29 -0.13 0.00 -0.02 0.00 0.00 54.58 52.80 3hbx n ASN 215 Cb 1.04 -0.06 -0.06 0.00 -2.36 0.00 0.00 39.78 38.35 3hbx n ASN 215 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3hbx n GLY 216 N 0.00 1.35 3.77 4.83 0.00 0.13 -4.12 105.19 111.14 3hbx n GLY 216 Ca 0.00 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 3hbx n GLY 216 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hbx s GLU 217 N -3.07 4.68 -0.01 1.61 2.12 -1.26 -0.67 118.70 122.10 3hbx s GLU 217 Ca 0.00 1.30 -0.27 0.00 0.36 0.00 0.00 54.97 56.37 3hbx s GLU 217 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.15 3hbx s GLU 217 CO 0.00 0.51 0.83 -0.06 -0.54 0.00 0.00 175.26 176.00 3hbx s PHE 218 N -1.23 3.65 0.52 5.30 0.08 -1.26 -1.40 117.98 123.64 3hbx s PHE 218 Ca 0.40 1.49 -0.18 0.00 0.12 0.00 0.00 56.93 58.76 3hbx s PHE 218 Cb -0.24 -2.94 -0.07 0.00 -0.57 0.00 0.00 43.02 39.21 3hbx s PHE 218 CO 0.28 0.09 1.04 -1.21 -0.10 0.00 0.00 175.22 175.32 3hbx s GLU 219 N 0.69 3.66 -1.27 0.44 2.02 -0.93 -4.90 118.70 118.42 3hbx s GLU 219 Ca 0.44 1.26 -0.18 0.00 0.02 0.00 0.00 54.97 56.51 3hbx s GLU 219 Cb -0.20 -2.08 0.01 0.00 0.10 0.00 0.00 34.13 31.96 3hbx s GLU 219 CO 0.23 -0.53 1.95 -3.47 0.02 0.00 0.00 175.26 173.46 3hbx n ASP 220 N -1.37 4.01 -0.26 -0.19 -0.08 -1.26 -4.75 116.55 112.66 3hbx n ASP 220 Ca 0.09 -2.83 -0.01 0.00 -1.51 0.00 0.00 54.79 50.52 3hbx n ASP 220 Cb 0.53 -1.64 0.18 0.00 2.34 0.00 0.00 41.12 42.53 3hbx n ASP 220 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3hbx h VAL 221 N 5.02 1.22 -0.65 5.18 2.07 -1.91 -2.07 116.25 125.11 3hbx h VAL 221 Ca 0.45 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hbx h VAL 221 Cb 0.78 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3hbx h VAL 221 CO 1.63 0.24 0.35 0.50 0.02 0.00 0.00 177.57 180.30 3hbx h LYS 222 N 1.10 0.90 -0.32 1.57 3.64 -1.86 0.16 116.57 121.76 3hbx h LYS 222 Ca 0.28 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3hbx h LYS 222 Cb -0.02 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3hbx h LYS 222 CO -0.05 0.69 0.08 1.25 -2.27 0.00 0.00 179.45 179.15 3hbx h LEU 223 N 0.88 0.48 -0.73 5.20 5.85 -1.84 -0.75 115.31 124.41 3hbx h LEU 223 Ca 0.23 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3hbx h LEU 223 Cb 0.05 -0.13 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 3hbx h LEU 223 CO -0.04 0.58 0.38 0.25 -0.34 0.00 0.00 178.44 179.28 3hbx h LEU 224 N 0.36 0.51 -0.40 2.25 5.85 -1.04 -0.58 115.31 122.26 3hbx h LEU 224 Ca 0.10 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hbx h LEU 224 Cb 0.29 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3hbx h LEU 224 CO 0.00 0.29 0.17 -1.13 -0.34 0.00 0.00 178.44 177.44 3hbx h ASN 225 N 0.65 0.54 -0.24 1.25 -1.24 -0.69 -1.25 115.58 114.60 3hbx h ASN 225 Ca 0.36 -0.15 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 3hbx h ASN 225 Cb 0.36 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.25 3hbx h ASN 225 CO -0.26 0.54 0.14 0.44 -1.29 0.00 0.00 177.43 177.00 3hbx h ASP 226 N 0.50 0.30 -0.48 1.15 3.32 -0.38 -0.71 116.42 120.13 3hbx h ASP 226 Ca 0.14 -0.07 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3hbx h ASP 226 Cb 0.16 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 3hbx h ASP 226 CO -0.01 0.28 -0.05 -0.07 -1.72 0.00 0.00 179.24 177.67 3hbx h LEU 227 N 0.29 0.91 -0.65 1.55 3.38 -1.11 -2.94 115.31 116.74 3hbx h LEU 227 Ca 0.09 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 3hbx h LEU 227 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hbx h LEU 227 CO -0.02 1.00 -0.67 0.25 0.09 0.00 0.00 178.44 179.09 3hbx h LEU 228 N 0.85 0.04 -0.68 1.67 6.46 -0.99 -1.78 115.31 120.88 3hbx h LEU 228 Ca 0.15 -0.03 -0.09 0.00 -0.12 0.00 0.00 57.88 57.79 3hbx h LEU 228 Cb 0.57 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 3hbx h LEU 228 CO 0.03 0.70 0.04 0.58 -0.62 0.00 0.00 178.44 179.18 3hbx h VAL 229 N 0.03 1.26 0.06 1.05 2.07 -1.07 -0.64 116.25 119.01 3hbx h VAL 229 Ca -0.01 -1.10 -0.00 0.00 0.82 0.00 0.00 66.70 66.41 3hbx h VAL 229 Cb 1.19 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3hbx h VAL 229 CO 0.09 0.40 -0.03 -0.33 0.02 0.00 0.00 177.57 177.73 3hbx h GLU 230 N 0.99 -0.08 -0.14 1.57 4.39 -1.32 -2.69 114.58 117.30 3hbx h GLU 230 Ca 0.18 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 3hbx h GLU 230 Cb 0.51 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3hbx h GLU 230 CO 0.02 0.11 0.06 -0.22 -1.16 0.00 0.00 179.01 177.82 3hbx h LYS 231 N -0.25 0.18 -0.21 2.33 3.64 -1.24 -1.80 116.57 119.22 3hbx h LYS 231 Ca -0.01 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 3hbx h LYS 231 Cb 0.22 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3hbx h LYS 231 CO 0.01 0.15 -0.23 -0.91 -2.27 0.00 0.00 179.45 176.20 3hbx h ASN 232 N 0.19 0.39 -0.29 4.20 2.35 -0.89 -0.17 115.58 121.35 3hbx h ASN 232 Ca 0.05 -0.12 -0.04 0.00 -0.55 0.00 0.00 56.30 55.64 3hbx h ASN 232 Cb 0.03 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3hbx h ASN 232 CO -0.01 0.63 0.07 0.11 -1.65 0.00 0.00 177.43 176.58 3hbx h LYS 233 N 0.35 0.56 0.01 0.81 1.57 -1.00 -1.61 116.57 117.26 3hbx h LYS 233 Ca 0.06 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hbx h LYS 233 Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.83 3hbx h LYS 233 CO 0.04 0.53 -0.01 0.93 -0.57 0.00 0.00 179.45 180.38 3hbx h GLU 234 N 0.54 -0.02 -0.05 3.15 3.07 -1.37 -3.39 114.58 116.51 3hbx h GLU 234 Ca 0.12 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3hbx h GLU 234 Cb 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3hbx h GLU 234 CO -0.00 -0.01 -0.34 1.79 -1.40 0.00 0.00 179.01 179.05 3hbx h THR 235 N -0.68 1.26 0.00 1.13 1.35 -1.12 -3.46 112.91 111.39 3hbx h THR 235 Ca -0.00 -1.26 0.00 0.00 -0.55 0.00 0.00 66.41 64.60 3hbx h THR 235 Cb 0.01 1.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 3hbx h THR 235 CO 0.00 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.25 3hbx n GLY 236 N -0.46 2.84 3.76 5.82 0.00 -0.61 -5.00 105.19 111.54 3hbx n GLY 236 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3hbx n GLY 236 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hbx s TRP 237 N -2.55 2.54 -0.84 1.61 0.51 -1.26 -4.95 118.94 114.00 3hbx s TRP 237 Ca 0.00 1.50 0.01 0.00 -2.12 0.00 0.00 56.10 55.49 3hbx s TRP 237 Cb 0.00 -3.48 0.34 0.00 -0.81 0.00 0.00 33.47 29.52 3hbx s TRP 237 CO 0.00 -2.05 1.54 -3.47 -0.51 0.00 0.00 176.95 172.46 3hbx n ASP 238 N -1.17 6.35 -4.68 2.95 2.03 -1.26 -4.66 116.55 116.11 3hbx n ASP 238 Ca 0.11 -3.71 -0.42 0.00 0.52 0.00 0.00 54.79 51.29 3hbx n ASP 238 Cb 0.49 -0.93 -0.03 0.00 -0.72 0.00 0.00 41.12 39.93 3hbx n ASP 238 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3hbx s THR 239 N -4.54 2.96 0.43 5.18 2.01 -1.26 -4.99 115.64 115.44 3hbx s THR 239 Ca 0.44 0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.70 3hbx s THR 239 Cb 0.26 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.60 3hbx s THR 239 CO -0.17 -0.01 0.64 -2.16 -0.69 0.00 0.00 174.62 172.23 3hbx s PRO 240 N 3.42 3.09 -0.08 4.92 0.05 -1.26 -4.95 135.00 140.19 3hbx s PRO 240 Ca 0.80 -0.55 0.03 0.00 0.05 0.00 0.00 61.00 61.33 3hbx s PRO 240 Cb -0.42 -2.60 -0.02 0.00 0.05 0.00 0.00 34.50 31.52 3hbx s PRO 240 CO 0.36 -0.21 -0.14 0.42 0.05 0.00 0.00 177.00 177.47 3hbx s ILE 241 N -2.50 3.01 -0.10 0.56 1.01 0.29 -1.21 121.20 122.27 3hbx s ILE 241 Ca 0.48 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.42 3hbx s ILE 241 Cb -0.10 -2.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.15 3hbx s ILE 241 CO 0.37 0.57 -0.14 -2.28 0.00 0.00 0.00 174.94 173.45 3hbx s HIS 242 N -0.35 2.75 -0.34 3.97 5.65 -0.27 -1.05 115.29 125.66 3hbx s HIS 242 Ca 0.03 -0.51 -0.10 0.00 0.25 0.00 0.00 55.06 54.73 3hbx s HIS 242 Cb -0.12 -1.76 0.01 0.00 -1.18 0.00 0.00 32.58 29.52 3hbx s HIS 242 CO 0.02 -0.10 0.18 0.08 -0.65 0.00 0.00 174.74 174.27 3hbx s VAL 243 N -0.00 4.62 -0.91 0.89 1.01 -0.93 -0.33 120.40 124.74 3hbx s VAL 243 Ca -0.04 -0.59 -0.24 0.00 0.00 0.00 0.00 61.98 61.10 3hbx s VAL 243 Cb -0.14 -3.45 0.05 0.00 0.00 0.00 0.00 36.38 32.84 3hbx s VAL 243 CO 0.04 -0.06 1.36 -0.62 0.00 0.00 0.00 175.10 175.82 3hbx s ASP 244 N 1.59 6.39 -0.57 3.32 -1.08 0.13 -2.36 116.67 124.10 3hbx s ASP 244 Ca 0.04 -1.17 0.01 0.00 -0.52 0.00 0.00 52.55 50.90 3hbx s ASP 244 Cb -0.18 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.20 3hbx s ASP 244 CO 0.07 -1.58 1.84 0.00 0.52 0.00 0.00 175.17 176.02 3hbx n ALA 245 N 8.83 5.97 -0.35 3.66 0.00 -0.08 -1.40 120.51 137.15 3hbx n ALA 245 Ca 0.22 -3.50 0.03 0.00 0.00 0.00 0.00 53.44 50.19 3hbx n ALA 245 Cb 0.50 -1.43 0.11 0.00 0.00 0.00 0.00 19.45 18.63 3hbx n ALA 245 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hbx h ALA 246 N 1.95 0.50 0.00 0.00 0.00 -1.82 -0.74 119.26 119.15 3hbx h ALA 246 Ca 0.55 0.34 -0.33 0.00 0.00 0.00 0.00 54.91 55.47 3hbx h ALA 246 Cb 1.11 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.64 3hbx h ALA 246 CO 1.36 -0.45 -2.08 -1.13 0.00 0.00 0.00 179.25 176.95 3hbx n SER 247 N -5.57 1.53 0.34 0.00 3.41 -1.26 -0.69 113.62 111.38 3hbx n SER 247 Ca 0.14 0.26 0.21 0.00 -0.26 0.00 0.00 58.87 59.22 3hbx n SER 247 Cb 0.46 -0.63 1.11 0.00 -0.26 0.00 0.00 64.21 64.89 3hbx n SER 247 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3hbx h GLY 248 N -0.77 0.00 1.77 5.00 0.00 -1.51 -2.82 103.07 104.75 3hbx h GLY 248 Ca -0.50 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.84 3hbx h GLY 248 CO -0.30 0.00 0.13 -1.33 0.00 0.00 0.00 176.54 175.04 3hbx h GLY 249 N 0.00 0.23 -2.65 4.60 0.00 -1.34 -1.37 103.07 102.53 3hbx h GLY 249 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hbx h GLY 249 CO -0.00 0.08 0.00 0.69 0.00 0.00 0.00 176.54 177.31 3hbx n PHE 250 N -4.51 1.52 0.01 5.60 3.72 -1.06 -4.46 117.46 118.27 3hbx n PHE 250 Ca 0.00 -0.77 -0.00 0.00 -0.05 0.00 0.00 57.45 56.63 3hbx n PHE 250 Cb 0.11 -0.39 -0.00 0.00 -0.94 0.00 0.00 39.48 38.26 3hbx n PHE 250 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 3hbx n ILE 251 N 0.22 0.13 -0.10 4.37 5.41 -0.61 -4.79 119.36 123.99 3hbx n ILE 251 Ca 0.25 0.04 -0.06 0.00 1.00 0.00 0.00 62.75 63.98 3hbx n ILE 251 Cb 1.02 -1.51 0.02 0.00 -0.71 0.00 0.00 39.64 38.46 3hbx n ILE 251 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hbx h ALA 252 N -0.00 0.36 0.00 -1.39 0.00 -1.54 -0.13 119.26 116.56 3hbx h ALA 252 Ca -0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hbx h ALA 252 Cb 0.89 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3hbx h ALA 252 CO -0.00 -0.35 0.11 -1.35 0.00 0.00 0.00 179.25 177.66 3hbx h PRO 253 N 0.16 0.00 0.00 0.00 0.11 -1.79 0.25 132.00 130.73 3hbx h PRO 253 Ca 0.17 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.09 3hbx h PRO 253 Cb 0.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.28 3hbx h PRO 253 CO -0.24 0.00 -1.71 1.19 -0.21 0.00 0.00 178.00 177.03 3hbx n PHE 254 N -3.00 0.00 -0.02 0.65 3.72 -0.85 -4.33 117.46 113.64 3hbx n PHE 254 Ca -0.03 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.19 3hbx n PHE 254 Cb 0.17 -0.49 -0.14 0.00 -0.94 0.00 0.00 39.48 38.08 3hbx n PHE 254 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3hbx n LEU 255 N -2.68 2.35 -3.20 4.37 4.77 -0.12 -4.70 117.00 117.78 3hbx n LEU 255 Ca -0.20 0.19 -0.24 0.00 -0.03 0.00 0.00 56.01 55.73 3hbx n LEU 255 Cb 0.77 -0.86 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 3hbx n LEU 255 CO 0.16 0.79 -0.09 -1.22 -1.33 0.00 0.00 177.39 175.70 3hbx n TYR 256 N -3.37 1.78 0.22 -1.77 4.01 0.84 -4.93 117.16 113.95 3hbx n TYR 256 Ca -0.31 -3.87 0.06 0.00 -0.16 0.00 0.00 57.90 53.61 3hbx n TYR 256 Cb 1.04 -0.45 0.52 0.00 -0.31 0.00 0.00 39.34 40.14 3hbx n TYR 256 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3hbx h PRO 257 N 3.61 0.00 -0.47 -0.72 0.11 -1.68 -2.44 132.00 130.43 3hbx h PRO 257 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3hbx h PRO 257 Cb 0.76 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.87 3hbx h PRO 257 CO 0.65 0.21 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 3hbx n GLU 258 N -4.14 2.09 -3.01 1.05 4.71 -1.26 -4.80 120.64 115.28 3hbx n GLU 258 Ca -0.02 -1.65 -0.42 0.00 -0.01 0.00 0.00 57.16 55.06 3hbx n GLU 258 Cb 0.27 -1.37 -0.06 0.00 -1.01 0.00 0.00 31.44 29.28 3hbx n GLU 258 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 3hbx s LEU 259 N -1.02 4.19 -0.50 -4.62 2.96 -0.92 -5.02 118.68 113.76 3hbx s LEU 259 Ca 0.31 0.23 -0.27 0.00 -0.22 0.00 0.00 54.13 54.18 3hbx s LEU 259 Cb 0.16 -2.93 0.03 0.00 0.50 0.00 0.00 46.19 43.95 3hbx s LEU 259 CO 0.21 -0.70 1.04 -1.61 -1.32 0.00 0.00 176.35 173.96 3hbx s GLU 260 N 2.97 3.55 0.00 1.98 2.02 -1.26 -4.68 118.70 123.28 3hbx s GLU 260 Ca 0.29 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.50 3hbx s GLU 260 Cb -0.14 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 30.14 3hbx s GLU 260 CO 0.17 -1.39 0.00 -2.67 0.02 0.00 0.00 175.26 171.38 3hbx n TRP 261 N 7.64 0.00 -0.68 1.61 4.27 -1.26 -3.93 117.44 125.09 3hbx n TRP 261 Ca 0.08 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.69 3hbx n TRP 261 Cb 0.49 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.44 3hbx n TRP 261 CO 0.00 0.00 0.00 -0.40 -2.29 0.00 0.00 177.69 175.00 3hbx n ASP 262 N 0.00 0.00 0.00 -0.67 5.68 -1.26 -4.87 116.55 115.43 3hbx n ASP 262 Ca 0.00 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.35 3hbx n ASP 262 Cb 0.00 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.28 3hbx n ASP 262 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3hbx n PHE 263 N 0.00 0.00 0.24 2.11 3.72 -1.00 -1.20 117.46 121.33 3hbx n PHE 263 Ca 0.00 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.48 3hbx n PHE 263 Cb 0.00 -0.28 0.60 0.00 -0.94 0.00 0.00 39.48 38.86 3hbx n PHE 263 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hbx h ARG 264 N 0.00 0.00 -5.94 -1.08 3.08 -1.77 -3.39 114.38 105.28 3hbx h ARG 264 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 3hbx h ARG 264 Cb 0.11 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 3hbx h ARG 264 CO 0.00 0.12 0.42 -0.51 -1.07 0.00 0.00 179.97 178.93 3hbx s LEU 265 N -8.44 4.16 0.39 3.04 1.43 -0.34 -4.96 118.68 113.95 3hbx s LEU 265 Ca -0.04 1.17 0.10 0.00 -1.03 0.00 0.00 54.13 54.34 3hbx s LEU 265 Cb 0.16 -3.25 0.89 0.00 0.03 0.00 0.00 46.19 44.02 3hbx s LEU 265 CO 0.66 -0.43 1.94 -0.65 0.23 0.00 0.00 176.35 178.10 3hbx h PRO 266 N 7.38 0.57 0.00 1.29 0.11 -1.86 -2.37 132.00 137.11 3hbx h PRO 266 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3hbx h PRO 266 Cb 1.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hbx h PRO 266 CO 0.85 0.38 -0.14 1.28 -0.21 0.00 0.00 178.00 180.15 3hbx n LEU 267 N -4.49 0.59 -4.60 2.35 4.77 -1.26 -4.73 117.00 109.62 3hbx n LEU 267 Ca 0.12 0.46 -0.43 0.00 -0.03 0.00 0.00 56.01 56.13 3hbx n LEU 267 Cb 0.36 -0.33 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 3hbx n LEU 267 CO 0.33 -0.10 1.32 -0.69 -1.33 0.00 0.00 177.39 176.92 3hbx s VAL 268 N -3.08 3.78 -0.10 4.08 1.01 -0.89 -0.54 120.40 124.65 3hbx s VAL 268 Ca 0.11 0.80 0.19 0.00 0.00 0.00 0.00 61.98 63.09 3hbx s VAL 268 Cb 0.14 -4.02 -0.29 0.00 0.00 0.00 0.00 36.38 32.21 3hbx s VAL 268 CO 0.61 -0.63 0.30 0.29 0.00 0.00 0.00 175.10 175.67 3hbx n LYS 269 N 8.12 0.71 -3.60 2.72 4.76 -0.21 -4.74 118.16 125.93 3hbx n LYS 269 Ca 0.18 -0.12 -0.16 0.00 -2.87 0.00 0.00 58.31 55.34 3hbx n LYS 269 Cb 0.47 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 3hbx n LYS 269 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3hbx s SER 270 N -4.81 -0.50 -0.01 4.39 1.04 -1.24 -0.61 113.70 111.96 3hbx s SER 270 Ca -0.08 0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.85 3hbx s SER 270 Cb 0.10 0.47 -0.00 0.00 0.10 0.00 0.00 66.02 66.69 3hbx s SER 270 CO 0.84 -0.57 -0.05 -0.63 0.98 0.00 0.00 173.24 173.81 3hbx s ILE 271 N -1.32 0.40 0.10 -1.02 1.01 -0.18 -2.19 121.20 118.00 3hbx s ILE 271 Ca -0.11 -0.20 0.08 0.00 0.00 0.00 0.00 60.65 60.42 3hbx s ILE 271 Cb -0.02 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 42.06 3hbx s ILE 271 CO 0.07 0.12 -0.16 0.54 0.00 0.00 0.00 174.94 175.52 3hbx s ASN 272 N 0.00 4.01 -0.09 3.58 4.22 -0.99 -0.30 114.94 125.38 3hbx s ASN 272 Ca 0.00 -0.48 -0.15 0.00 -2.14 0.00 0.00 52.86 50.09 3hbx s ASN 272 Cb -0.03 -0.64 0.03 0.00 1.28 0.00 0.00 41.25 41.89 3hbx s ASN 272 CO -0.00 0.19 0.37 0.54 -2.04 0.00 0.00 177.10 176.17 3hbx s VAL 273 N -1.12 0.02 -0.33 3.54 0.11 -0.38 -0.90 120.40 121.33 3hbx s VAL 273 Ca 0.18 -0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 58.90 3hbx s VAL 273 Cb -0.11 -0.59 -0.02 0.00 -1.53 0.00 0.00 36.38 34.13 3hbx s VAL 273 CO 0.10 -0.10 0.37 -0.44 -3.33 0.00 0.00 175.10 171.70 3hbx s SER 274 N -0.45 6.19 0.39 3.54 0.01 0.14 -0.38 113.70 123.14 3hbx s SER 274 Ca -0.06 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.17 3hbx s SER 274 Cb -0.04 -2.20 0.78 0.00 0.21 0.00 0.00 66.02 64.77 3hbx s SER 274 CO 0.02 -0.32 1.89 1.23 0.41 0.00 0.00 173.24 176.47 3hbx h GLY 275 N 8.75 0.15 -3.31 3.44 0.00 -1.49 -3.27 103.07 107.35 3hbx h GLY 275 Ca -0.30 -0.10 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 3hbx h GLY 275 CO 0.69 0.09 0.27 -2.39 0.00 0.00 0.00 176.54 175.20 3hbx n HIS 276 N -4.22 0.98 0.00 5.60 1.44 -0.97 -2.18 115.22 115.88 3hbx n HIS 276 Ca -0.01 -1.62 0.00 0.00 -2.01 0.00 0.00 57.72 54.08 3hbx n HIS 276 Cb 0.32 -0.80 0.00 0.00 0.12 0.00 0.00 29.99 29.63 3hbx n HIS 276 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3hbx n TYR 278 N 0.77 0.00 1.15 -1.40 4.02 -1.25 -0.30 117.16 120.15 3hbx n TYR 278 Ca 0.19 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.22 3hbx n TYR 278 Cb 0.55 0.00 0.66 0.00 -0.02 0.00 0.00 39.34 40.53 3hbx n TYR 278 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hbx n GLY 279 N -0.44 -1.36 2.51 2.72 0.00 -1.00 -4.78 105.19 102.83 3hbx n GLY 279 Ca 0.00 -0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.78 3hbx n GLY 279 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3hbx n LEU 280 N -1.40 -2.37 -4.35 0.99 4.77 -0.93 -4.94 117.00 108.77 3hbx n LEU 280 Ca 0.10 -0.20 -0.24 0.00 -0.03 0.00 0.00 56.01 55.63 3hbx n LEU 280 Cb 0.28 -1.87 -0.12 0.00 -2.33 0.00 0.00 43.42 39.39 3hbx n LEU 280 CO 0.24 0.21 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.31 3hbx s VAL 281 N -2.98 1.96 0.86 4.08 1.01 -1.00 -4.93 120.40 119.39 3hbx s VAL 281 Ca 0.22 -1.85 -0.12 0.00 0.00 0.00 0.00 61.98 60.24 3hbx s VAL 281 Cb -0.10 -1.86 0.12 0.00 0.00 0.00 0.00 36.38 34.54 3hbx s VAL 281 CO 0.27 -0.18 1.17 -0.31 0.00 0.00 0.00 175.10 176.06 3hbx s TYR 282 N -1.67 1.72 0.24 5.22 2.02 -1.26 -4.14 117.35 119.47 3hbx s TYR 282 Ca 0.15 1.74 -0.31 0.00 -0.37 0.00 0.00 57.07 58.28 3hbx s TYR 282 Cb -0.08 -3.40 -0.14 0.00 -0.40 0.00 0.00 41.96 37.94 3hbx s TYR 282 CO 0.07 -2.81 1.24 0.00 -1.57 0.00 0.00 175.55 172.47 3hbx n ALA 283 N -3.79 0.28 0.00 3.71 0.00 -1.26 -4.35 120.51 115.10 3hbx n ALA 283 Ca 0.13 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3hbx n ALA 283 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3hbx n ALA 283 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hbx n GLY 284 N 1.76 1.32 3.18 0.00 0.00 -1.26 -5.00 105.19 105.19 3hbx n GLY 284 Ca 0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 3hbx n GLY 284 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3hbx s ILE 285 N -1.32 -0.12 0.24 -0.61 1.10 0.11 -4.61 121.20 115.99 3hbx s ILE 285 Ca 0.00 0.13 0.01 0.00 -0.51 0.00 0.00 60.65 60.28 3hbx s ILE 285 Cb 0.00 -0.53 -0.04 0.00 0.15 0.00 0.00 42.46 42.04 3hbx s ILE 285 CO 0.00 0.05 0.14 -0.83 -2.11 0.00 0.00 174.94 172.20 3hbx s GLY 286 N 1.55 1.68 -0.00 1.50 0.00 0.13 -1.30 107.32 110.88 3hbx s GLY 286 Ca -0.08 -1.78 -0.06 0.00 0.00 0.00 0.00 44.72 42.80 3hbx s GLY 286 CO -0.11 -1.47 0.11 -0.98 0.00 0.00 0.00 173.10 170.65 3hbx s TRP 287 N -3.93 0.05 -0.04 1.90 0.52 0.49 0.19 118.94 118.13 3hbx s TRP 287 Ca 0.38 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.38 3hbx s TRP 287 Cb 0.06 -0.06 0.03 0.00 -1.15 0.00 0.00 33.47 32.36 3hbx s TRP 287 CO 0.15 -0.24 0.00 0.54 0.02 0.00 0.00 176.95 177.42 3hbx s VAL 288 N -1.20 0.20 -0.02 4.03 0.11 -0.85 -1.25 120.40 121.41 3hbx s VAL 288 Ca -0.13 0.11 0.05 0.00 -2.93 0.00 0.00 61.98 59.07 3hbx s VAL 288 Cb -0.07 -0.31 -0.03 0.00 -1.53 0.00 0.00 36.38 34.44 3hbx s VAL 288 CO 0.01 0.17 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.16 3hbx s ILE 289 N 1.23 2.93 -0.04 7.04 -1.09 0.59 -1.83 121.20 130.02 3hbx s ILE 289 Ca -0.07 -0.86 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 3hbx s ILE 289 Cb -0.13 -2.16 -0.03 0.00 -1.58 0.00 0.00 42.46 38.56 3hbx s ILE 289 CO -0.02 0.53 -0.09 0.26 -1.23 0.00 0.00 174.94 174.39 3hbx s TRP 290 N -0.77 2.87 0.12 3.97 0.51 0.23 -1.01 118.94 124.86 3hbx s TRP 290 Ca 0.12 -0.03 -0.20 0.00 -2.12 0.00 0.00 56.10 53.87 3hbx s TRP 290 Cb -0.11 -1.66 -0.04 0.00 -0.81 0.00 0.00 33.47 30.85 3hbx s TRP 290 CO 0.02 0.31 1.71 -0.09 -0.51 0.00 0.00 176.95 178.39 3hbx h ARG 291 N 5.07 -0.00 -4.37 4.98 2.43 -1.15 -3.40 114.38 117.93 3hbx h ARG 291 Ca -0.48 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.50 3hbx h ARG 291 Cb 1.17 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.58 3hbx h ARG 291 CO 0.52 -0.00 -0.55 -0.80 -1.51 0.00 0.00 179.97 177.62 3hbx s ASN 292 N -5.20 0.18 0.47 -3.80 0.01 -1.26 -4.36 114.94 100.97 3hbx s ASN 292 Ca -0.13 -1.23 0.13 0.00 -0.71 0.00 0.00 52.86 50.92 3hbx s ASN 292 Cb 0.10 0.37 1.09 0.00 0.41 0.00 0.00 41.25 43.22 3hbx s ASN 292 CO 0.68 -0.83 2.07 0.50 -1.51 0.00 0.00 177.10 178.01 3hbx h LYS 293 N 2.67 0.27 0.00 -0.60 3.64 -1.95 -1.97 116.57 118.63 3hbx h LYS 293 Ca -0.34 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.01 3hbx h LYS 293 Cb 1.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3hbx h LYS 293 CO 0.53 0.18 -0.03 1.05 -2.27 0.00 0.00 179.45 178.91 3hbx h GLU 294 N 0.27 0.00 -0.00 1.90 4.11 -1.99 -2.38 114.58 116.50 3hbx h GLU 294 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 3hbx h GLU 294 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3hbx h GLU 294 CO -0.03 0.03 -0.06 -0.25 0.07 0.00 0.00 179.01 178.77 3hbx n ASP 295 N -3.22 0.09 -4.02 3.06 8.00 -0.74 -4.40 116.55 115.32 3hbx n ASP 295 Ca -0.01 0.17 -0.32 0.00 0.71 0.00 0.00 54.79 55.34 3hbx n ASP 295 Cb 0.19 -0.33 -0.14 0.00 -0.02 0.00 0.00 41.12 40.82 3hbx n ASP 295 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3hbx s LEU 296 N -2.85 4.75 0.01 0.64 0.20 -0.90 -4.73 118.68 115.80 3hbx s LEU 296 Ca 0.19 -2.48 -0.37 0.00 0.69 0.00 0.00 54.13 52.16 3hbx s LEU 296 Cb 0.19 -1.69 -0.16 0.00 -0.43 0.00 0.00 46.19 44.11 3hbx s LEU 296 CO 0.53 -0.36 1.50 -2.65 -0.29 0.00 0.00 176.35 175.08 3hbx n PRO 297 N 3.87 1.38 0.27 0.98 -0.02 -1.26 -4.84 135.00 135.37 3hbx n PRO 297 Ca 0.04 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3hbx n PRO 297 Cb 0.38 -2.18 0.77 0.00 -0.02 0.00 0.00 33.50 32.45 3hbx n PRO 297 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3hbx h GLU 298 N 5.64 0.00 0.00 -0.52 4.57 -1.94 -2.09 114.58 120.25 3hbx h GLU 298 Ca -0.47 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 3hbx h GLU 298 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3hbx h GLU 298 CO 0.84 0.04 0.00 -0.85 -1.18 0.00 0.00 179.01 177.87 3hbx n GLU 299 N -4.04 0.23 0.05 1.92 0.00 -1.26 -2.22 120.64 115.32 3hbx n GLU 299 Ca -0.03 0.08 0.13 0.00 0.00 0.00 0.00 57.16 57.34 3hbx n GLU 299 Cb 0.13 -1.50 0.30 0.00 0.00 0.00 0.00 31.44 30.37 3hbx n GLU 299 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3hbx n LEU 300 N -1.35 0.61 -4.78 -1.84 4.77 -0.79 -4.87 117.00 108.75 3hbx n LEU 300 Ca 0.09 0.32 -0.38 0.00 -0.03 0.00 0.00 56.01 56.01 3hbx n LEU 300 Cb 0.20 -0.27 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3hbx n LEU 300 CO 0.18 -0.05 0.19 -0.63 -1.33 0.00 0.00 177.39 175.75 3hbx s ILE 301 N -3.10 5.01 0.17 -0.08 1.01 -0.94 -4.81 121.20 118.46 3hbx s ILE 301 Ca 0.09 1.01 0.06 0.00 0.00 0.00 0.00 60.65 61.81 3hbx s ILE 301 Cb 0.14 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3hbx s ILE 301 CO 0.66 0.47 0.07 -0.36 0.00 0.00 0.00 174.94 175.78 3hbx s PHE 302 N -0.38 3.01 -0.26 3.97 0.40 -0.71 -4.95 117.98 119.06 3hbx s PHE 302 Ca 0.26 -0.07 -0.02 0.00 -0.60 0.00 0.00 56.93 56.50 3hbx s PHE 302 Cb -0.17 -1.45 0.08 0.00 0.51 0.00 0.00 43.02 42.00 3hbx s PHE 302 CO 0.14 0.52 0.08 -1.01 0.70 0.00 0.00 175.22 175.64 3hbx s HIS 303 N -1.75 1.19 0.38 0.36 3.76 -1.25 -1.43 115.29 116.55 3hbx s HIS 303 Ca 0.29 -1.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.05 3hbx s HIS 303 Cb -0.10 -1.28 -0.00 0.00 1.11 0.00 0.00 32.58 32.31 3hbx s HIS 303 CO 0.21 -0.75 0.53 0.96 -0.85 0.00 0.00 174.74 174.83 3hbx s ILE 304 N 1.80 3.75 0.00 0.60 -4.36 -1.23 -4.78 121.20 116.98 3hbx s ILE 304 Ca 0.05 -0.93 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 3hbx s ILE 304 Cb -0.17 -3.30 0.03 0.00 1.25 0.00 0.00 42.46 40.27 3hbx s ILE 304 CO -0.20 -0.13 0.77 -0.46 0.24 0.00 0.00 174.94 175.16 3hbx n ASN 305 N -1.76 -0.05 -0.55 4.36 6.94 -1.25 -2.89 115.26 120.06 3hbx n ASN 305 Ca 0.02 -1.50 0.13 0.00 -0.02 0.00 0.00 54.58 53.21 3hbx n ASN 305 Cb 0.58 -0.04 0.46 0.00 -2.36 0.00 0.00 39.78 38.41 3hbx n ASN 305 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hbx n TYR 306 N 0.04 0.04 0.44 -2.53 0.18 -1.26 -3.86 117.16 110.22 3hbx n TYR 306 Ca -0.03 -0.02 0.05 0.00 1.88 0.00 0.00 57.90 59.78 3hbx n TYR 306 Cb 0.64 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.54 3hbx n TYR 306 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3hbx n LEU 307 N 0.34 0.44 0.00 -3.48 4.77 -1.26 -5.01 117.00 112.80 3hbx n LEU 307 Ca 0.18 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 3hbx n LEU 307 Cb 0.38 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3hbx n LEU 307 CO 0.16 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.94 3hbx n GLY 308 N 1.28 1.19 2.15 -0.72 0.00 -1.25 -4.89 105.19 102.95 3hbx n GLY 308 Ca 0.02 -0.01 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 3hbx n GLY 308 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hbx n ALA 309 N 0.00 -0.57 -2.16 4.61 0.00 -1.26 -5.04 120.51 116.09 3hbx n ALA 309 Ca 0.00 -0.90 -0.40 0.00 0.00 0.00 0.00 53.44 52.14 3hbx n ALA 309 Cb 0.00 0.72 -0.05 0.00 0.00 0.00 0.00 19.45 20.12 3hbx n ALA 309 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hbx s ASP 310 N -2.30 7.38 -0.02 0.00 -0.00 -1.21 -3.87 116.67 116.66 3hbx s ASP 310 Ca 0.14 1.65 0.00 0.00 -0.00 0.00 0.00 52.55 54.34 3hbx s ASP 310 Cb -0.02 -2.52 0.02 0.00 -0.00 0.00 0.00 42.92 40.40 3hbx s ASP 310 CO 0.10 0.07 0.01 0.00 -0.00 0.00 0.00 175.17 175.36 3hbx s GLN 311 N -0.52 0.08 -1.15 8.23 -2.07 -1.14 -4.93 119.66 118.16 3hbx s GLN 311 Ca 0.40 0.10 -0.20 0.00 -1.82 0.00 0.00 55.36 53.84 3hbx s GLN 311 Cb -0.23 -0.26 0.07 0.00 -1.09 0.00 0.00 33.01 31.51 3hbx s GLN 311 CO 0.27 -0.11 1.56 -2.14 -1.32 0.00 0.00 175.29 173.55 3hbx s PRO 312 N 0.76 3.80 -0.14 9.60 0.02 -1.25 -3.52 135.00 144.28 3hbx s PRO 312 Ca -0.07 -1.65 -0.06 0.00 0.02 0.00 0.00 61.00 59.24 3hbx s PRO 312 Cb -0.10 -5.39 -0.04 0.00 0.02 0.00 0.00 34.50 28.99 3hbx s PRO 312 CO -0.02 -2.18 0.09 0.95 -0.33 0.00 0.00 177.00 175.51 3hbx s THR 313 N 4.28 5.06 -0.44 0.99 -4.23 -0.51 -4.90 115.64 115.87 3hbx s THR 313 Ca 0.49 0.05 0.03 0.00 -1.18 0.00 0.00 61.69 61.08 3hbx s THR 313 Cb 0.01 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.80 3hbx s THR 313 CO -0.01 0.56 0.34 0.12 -0.54 0.00 0.00 174.62 175.09 3hbx s PHE 314 N -0.52 1.41 0.07 3.99 5.36 -1.26 -1.74 117.98 125.29 3hbx s PHE 314 Ca 0.11 -2.37 -0.12 0.00 -0.96 0.00 0.00 56.93 53.59 3hbx s PHE 314 Cb -0.12 -1.20 0.01 0.00 -0.34 0.00 0.00 43.02 41.38 3hbx s PHE 314 CO 0.02 -0.79 0.28 0.95 -1.46 0.00 0.00 175.22 174.22 3hbx s THR 315 N 0.01 0.10 -0.61 0.12 -4.23 -1.26 -4.99 115.64 104.79 3hbx s THR 315 Ca 0.29 -0.83 0.24 0.00 -1.18 0.00 0.00 61.69 60.22 3hbx s THR 315 Cb -0.02 -1.09 0.15 0.00 1.34 0.00 0.00 72.50 72.88 3hbx s THR 315 CO -0.16 -0.46 1.47 -0.07 -0.54 0.00 0.00 174.62 174.87 3hbx h LEU 316 N 2.95 0.00-10.25 4.79 3.38 -1.99 -3.46 115.31 110.73 3hbx h LEU 316 Ca -0.33 -0.10 -0.46 0.00 0.09 0.00 0.00 57.88 57.09 3hbx h LEU 316 Cb 1.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3hbx h LEU 316 CO 0.49 0.05 -0.36 0.20 0.09 0.00 0.00 178.44 178.91 3hbx s ASN 317 N -4.67 5.61 0.00 -0.43 0.01 -1.26 -5.10 114.94 109.10 3hbx s ASN 317 Ca 0.07 -0.39 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 3hbx s ASN 317 Cb 0.12 -0.96 0.00 0.00 0.41 0.00 0.00 41.25 40.82 3hbx s ASN 317 CO 0.68 -0.51 0.00 0.33 -1.51 0.00 0.00 177.10 176.10 3hbx n PHE 318 N -1.60 0.00 -2.07 2.20 7.35 -1.26 -5.05 117.46 117.03 3hbx n PHE 318 Ca 0.02 0.00 -0.41 0.00 -0.76 0.00 0.00 57.45 56.30 3hbx n PHE 318 Cb 0.59 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.40 3hbx n PHE 318 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 3hbx s SER 319 N 1.00 6.71 -0.10 -2.13 0.01 -1.26 -4.42 113.70 113.52 3hbx s SER 319 Ca 0.00 2.67 -0.32 0.00 1.31 0.00 0.00 55.95 59.61 3hbx s SER 319 Cb 0.00 -2.64 0.12 0.00 0.21 0.00 0.00 66.02 63.72 3hbx s SER 319 CO 0.00 -0.62 1.06 -1.59 0.41 0.00 0.00 173.24 172.50 3hbx s LYS 320 N -1.07 0.55 0.60 12.44 -2.85 -1.26 -5.00 119.74 123.14 3hbx s LYS 320 Ca 0.54 -0.21 -0.19 0.00 -1.00 0.00 0.00 55.97 55.11 3hbx s LYS 320 Cb -0.41 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.58 3hbx s LYS 320 CO 0.48 -0.24 1.26 0.20 0.10 0.00 0.00 175.35 177.15 3hbx s GLY 321 N -2.34 2.81 0.00 0.59 0.00 -1.26 -0.78 107.32 106.34 3hbx s GLY 321 Ca 0.07 1.13 0.12 0.00 0.00 0.00 0.00 44.72 46.05 3hbx s GLY 321 CO -0.07 1.55 1.06 -1.14 0.00 0.00 0.00 173.10 174.51 3hbx n SER 322 N -1.55 2.46 -0.24 1.64 3.41 -1.13 -4.58 113.62 113.62 3hbx n SER 322 Ca 0.14 -1.72 -0.08 0.00 -0.26 0.00 0.00 58.87 56.95 3hbx n SER 322 Cb 0.48 -0.11 0.04 0.00 -0.26 0.00 0.00 64.21 64.37 3hbx n SER 322 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3hbx h SER 323 N 2.39 1.07 -0.20 4.04 4.64 -1.84 -2.41 113.55 121.24 3hbx h SER 323 Ca 0.00 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 3hbx h SER 323 Cb 0.62 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3hbx h SER 323 CO 0.00 1.04 -0.24 1.56 -0.87 0.00 0.00 176.83 178.32 3hbx h GLN 324 N 1.05 0.66 0.13 4.77 7.50 -1.87 0.19 115.11 127.54 3hbx h GLN 324 Ca 0.21 -0.26 -0.01 0.00 0.50 0.00 0.00 58.65 59.09 3hbx h GLN 324 Cb 0.41 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 27.91 3hbx h GLN 324 CO 0.01 0.85 -0.06 0.28 -1.50 0.00 0.00 178.83 178.40 3hbx h VAL 325 N 0.58 0.88 -0.64 -0.54 2.07 -1.83 0.89 116.25 117.67 3hbx h VAL 325 Ca 0.08 -0.06 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3hbx h VAL 325 Cb 0.72 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3hbx h VAL 325 CO 0.06 0.01 0.41 0.40 0.02 0.00 0.00 177.57 178.47 3hbx h ILE 326 N -0.21 1.13 -1.01 4.57 2.04 -1.28 -1.94 117.51 120.82 3hbx h ILE 326 Ca -0.02 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.59 3hbx h ILE 326 Cb 0.16 0.23 -0.06 0.00 -0.74 0.00 0.00 36.82 36.41 3hbx h ILE 326 CO 0.03 0.15 0.66 0.00 0.00 0.00 0.00 178.15 179.00 3hbx h ALA 327 N 1.25 1.32 -0.23 1.87 0.00 -0.39 -0.92 119.26 122.15 3hbx h ALA 327 Ca 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3hbx h ALA 327 Cb -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 3hbx h ALA 327 CO -0.07 0.60 0.11 0.37 0.00 0.00 0.00 179.25 180.25 3hbx h GLN 328 N 1.31 0.34 -0.92 0.00 5.75 -0.24 -1.59 115.11 119.76 3hbx h GLN 328 Ca 0.39 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.83 3hbx h GLN 328 Cb -0.05 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.39 3hbx h GLN 328 CO -0.11 0.36 0.55 -0.92 -2.65 0.00 0.00 178.83 176.06 3hbx h TYR 329 N 0.24 1.22 0.23 3.99 3.20 -0.96 -0.95 116.97 123.94 3hbx h TYR 329 Ca 0.08 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3hbx h TYR 329 Cb 0.14 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.98 3hbx h TYR 329 CO -0.02 0.81 -0.29 -0.92 -1.64 0.00 0.00 178.16 176.10 3hbx h TYR 330 N 1.27 -0.78 -0.71 -3.82 3.20 -0.90 -1.86 116.97 113.36 3hbx h TYR 330 Ca 0.33 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.31 3hbx h TYR 330 Cb -0.04 0.31 -0.07 0.00 1.54 0.00 0.00 36.73 38.46 3hbx h TYR 330 CO 0.00 -0.41 0.34 1.96 -1.64 0.00 0.00 178.16 178.41 3hbx h GLN 331 N -0.58 0.55 0.36 1.82 1.08 -0.89 0.86 115.11 118.30 3hbx h GLN 331 Ca 0.00 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 3hbx h GLN 331 Cb 0.55 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 3hbx h GLN 331 CO -0.10 0.36 -0.17 -0.07 -0.95 0.00 0.00 178.83 177.90 3hbx h LEU 332 N 0.56 -0.41 0.00 1.46 3.38 -0.84 -0.60 115.31 118.87 3hbx h LEU 332 Ca 0.36 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 3hbx h LEU 332 Cb 0.41 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3hbx h LEU 332 CO -0.29 -0.25 -0.17 0.16 0.09 0.00 0.00 178.44 177.97 3hbx h ILE 333 N -0.52 0.22 0.18 1.22 -0.00 -1.19 -0.81 117.51 116.60 3hbx h ILE 333 Ca -0.05 -1.31 -0.27 0.00 -0.00 0.00 0.00 64.86 63.23 3hbx h ILE 333 Cb 0.40 2.09 0.02 0.00 -0.00 0.00 0.00 36.82 39.32 3hbx h ILE 333 CO 0.08 0.12 -1.26 -0.09 -0.00 0.00 0.00 178.15 177.00 3hbx h ARG 334 N 0.00 0.39 0.05 0.16 1.12 -0.80 -3.39 114.38 111.91 3hbx h ARG 334 Ca -0.00 -0.66 -0.21 0.00 -1.11 0.00 0.00 59.98 57.99 3hbx h ARG 334 Cb 1.10 0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 31.29 3hbx h ARG 334 CO 0.02 1.32 -1.13 -0.07 -3.11 0.00 0.00 179.97 177.00 3hbx h LEU 335 N -0.12 0.16 0.00 3.80 3.38 -1.19 -3.47 115.31 117.87 3hbx h LEU 335 Ca -0.24 -0.75 0.10 0.00 0.09 0.00 0.00 57.88 57.09 3hbx h LEU 335 Cb 1.90 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.57 3hbx h LEU 335 CO 0.18 1.47 -0.13 0.61 0.09 0.00 0.00 178.44 180.66 3hbx n GLY 336 N 1.61 -1.47 0.22 0.83 0.00 -0.31 -0.97 105.19 105.10 3hbx n GLY 336 Ca -0.25 -1.15 -0.02 0.00 0.00 0.00 0.00 46.02 44.60 3hbx n GLY 336 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hbx h HIS 337 N -0.34 0.41 -0.04 1.61 3.86 -1.97 -2.58 115.15 116.09 3hbx h HIS 337 Ca 0.01 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3hbx h HIS 337 Cb 0.34 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 3hbx h HIS 337 CO 0.00 0.14 -0.21 1.49 0.86 0.00 0.00 177.93 180.21 3hbx h GLU 338 N 0.43 -0.30 -0.14 2.45 4.81 -2.00 -0.49 114.58 119.34 3hbx h GLU 338 Ca 0.27 0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 3hbx h GLU 338 Cb 0.29 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 3hbx h GLU 338 CO -0.25 -0.20 0.08 0.78 -0.73 0.00 0.00 179.01 178.68 3hbx h GLY 339 N -0.32 0.20 1.04 1.92 0.00 -0.88 -1.32 103.07 103.71 3hbx h GLY 339 Ca 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3hbx h GLY 339 CO -0.23 0.08 0.52 -0.97 0.00 0.00 0.00 176.54 175.95 3hbx h TYR 340 N 0.14 1.24 -0.30 5.60 0.05 -1.32 -0.95 116.97 121.43 3hbx h TYR 340 Ca 0.05 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 3hbx h TYR 340 Cb 0.04 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 37.37 3hbx h TYR 340 CO -0.05 0.84 0.15 -0.09 -1.05 0.00 0.00 178.16 177.96 3hbx h ARG 341 N 1.27 0.43 -0.65 4.88 2.43 -0.87 -0.93 114.38 120.94 3hbx h ARG 341 Ca 0.32 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.46 3hbx h ARG 341 Cb -0.01 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.42 3hbx h ARG 341 CO -0.06 0.39 0.40 -0.91 -1.51 0.00 0.00 179.97 178.29 3hbx h ASN 342 N 0.36 0.67 -0.39 -3.80 2.35 -0.83 0.11 115.58 114.04 3hbx h ASN 342 Ca 0.10 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3hbx h ASN 342 Cb 0.09 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hbx h ASN 342 CO -0.01 0.46 0.07 0.58 -1.65 0.00 0.00 177.43 176.88 3hbx h VAL 343 N 0.80 1.24 -0.53 2.81 2.07 -0.98 -1.57 116.25 120.08 3hbx h VAL 343 Ca 0.26 -0.86 -0.11 0.00 0.82 0.00 0.00 66.70 66.81 3hbx h VAL 343 Cb 0.01 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 3hbx h VAL 343 CO -0.10 0.29 -0.11 0.24 0.02 0.00 0.00 177.57 177.92 3hbx h MET 344 N 0.50 1.01 -0.66 1.57 2.86 -0.89 -1.17 114.93 118.15 3hbx h MET 344 Ca 0.12 -0.38 -0.00 0.00 -2.06 0.00 0.00 59.70 57.38 3hbx h MET 344 Cb 0.36 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 3hbx h MET 344 CO 0.01 1.06 0.41 0.93 1.06 0.00 0.00 176.91 180.37 3hbx h GLU 345 N 0.88 0.89 -0.86 1.72 5.08 -0.71 0.14 114.58 121.72 3hbx h GLU 345 Ca 0.14 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3hbx h GLU 345 Cb 0.67 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.69 3hbx h GLU 345 CO 0.05 0.62 0.53 -0.91 -1.00 0.00 0.00 179.01 178.30 3hbx h ASN 346 N 0.89 1.03 -0.43 1.42 2.35 -1.05 0.22 115.58 120.01 3hbx h ASN 346 Ca 0.24 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3hbx h ASN 346 Cb -0.04 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 3hbx h ASN 346 CO -0.05 0.78 0.02 0.00 -1.65 0.00 0.00 177.43 176.54 3hbx h ARG 348 N 0.59 0.81 -0.27 0.00 2.43 -0.48 -1.64 114.38 115.83 3hbx h ARG 348 Ca 0.13 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3hbx h ARG 348 Cb 0.45 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3hbx h ARG 348 CO 0.02 0.71 0.11 1.49 -1.51 0.00 0.00 179.97 180.79 3hbx h GLU 349 N 0.73 0.23 -0.03 0.20 4.57 -0.84 -1.90 114.58 117.55 3hbx h GLU 349 Ca 0.18 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.30 3hbx h GLU 349 Cb 0.21 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 3hbx h GLU 349 CO -0.01 0.15 -0.19 -0.91 -1.18 0.00 0.00 179.01 176.86 3hbx h ASN 350 N 0.24 0.04 -0.29 1.04 2.35 -1.18 -1.75 115.58 116.02 3hbx h ASN 350 Ca 0.11 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.84 3hbx h ASN 350 Cb 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3hbx h ASN 350 CO -0.11 0.24 0.12 -0.03 -1.65 0.00 0.00 177.43 176.00 3hbx h MET 351 N 0.04 0.44 -0.43 0.81 4.05 -0.59 -1.61 114.93 117.63 3hbx h MET 351 Ca 0.01 -0.08 0.01 0.00 -0.28 0.00 0.00 59.70 59.35 3hbx h MET 351 Cb 0.37 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.08 3hbx h MET 351 CO 0.03 0.46 0.28 0.82 0.23 0.00 0.00 176.91 178.72 3hbx h ILE 352 N 0.32 1.10 -0.68 1.77 2.04 -0.82 0.26 117.51 121.50 3hbx h ILE 352 Ca 0.10 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3hbx h ILE 352 Cb 0.18 0.48 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3hbx h ILE 352 CO -0.01 0.10 0.40 0.58 0.00 0.00 0.00 178.15 179.23 3hbx h VAL 353 N 0.57 1.03 -0.26 1.67 2.07 -1.20 0.36 116.25 120.49 3hbx h VAL 353 Ca 0.16 -0.26 -0.18 0.00 0.82 0.00 0.00 66.70 67.24 3hbx h VAL 353 Cb -0.05 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 29.92 3hbx h VAL 353 CO -0.05 0.14 -0.56 0.25 0.02 0.00 0.00 177.57 177.37 3hbx h LEU 354 N 0.76 0.89 0.13 2.57 5.85 -0.93 -2.62 115.31 121.94 3hbx h LEU 354 Ca 0.29 -0.48 -0.00 0.00 0.84 0.00 0.00 57.88 58.52 3hbx h LEU 354 Cb 0.11 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 3hbx h LEU 354 CO -0.15 1.26 -0.08 -0.09 -0.34 0.00 0.00 178.44 179.04 3hbx h ARG 355 N 0.60 -0.20 -0.05 1.25 2.43 0.02 -2.56 114.38 115.88 3hbx h ARG 355 Ca 0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3hbx h ARG 355 Cb 1.16 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.73 3hbx h ARG 355 CO 0.12 -0.13 -0.06 0.93 -1.51 0.00 0.00 179.97 179.32 3hbx h GLU 356 N -0.20 -0.08 -0.88 0.20 5.08 -0.98 -1.06 114.58 116.67 3hbx h GLU 356 Ca -0.01 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 3hbx h GLU 356 Cb 0.17 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 3hbx h GLU 356 CO 0.01 -0.05 0.59 0.78 -1.00 0.00 0.00 179.01 179.34 3hbx h GLY 357 N -0.08 0.72 1.77 -3.84 0.00 -1.39 0.20 103.07 100.45 3hbx h GLY 357 Ca 0.04 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 3hbx h GLY 357 CO -0.10 -0.00 -1.15 1.41 0.00 0.00 0.00 176.54 176.69 3hbx h LEU 358 N 0.34 0.15 -0.66 3.11 3.38 -0.98 -3.25 115.31 117.40 3hbx h LEU 358 Ca 0.45 -0.17 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 3hbx h LEU 358 Cb 1.22 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 3hbx h LEU 358 CO -0.15 1.14 -0.36 -0.33 0.09 0.00 0.00 178.44 178.83 3hbx h GLU 359 N 0.03 0.64 0.00 1.13 5.08 0.29 -3.09 114.58 118.66 3hbx h GLU 359 Ca -0.08 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 57.96 3hbx h GLU 359 Cb 1.86 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 3hbx h GLU 359 CO 0.15 0.90 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.79 3hbx h LYS 360 N 0.53 0.00 0.00 2.33 3.64 -0.74 -0.62 116.57 121.72 3hbx h LYS 360 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3hbx h LYS 360 Cb 0.87 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.69 3hbx h LYS 360 CO 0.08 0.06 -0.26 1.79 -2.27 0.00 0.00 179.45 178.84 3hbx h THR 361 N 0.00 0.00 -2.64 1.00 1.35 -1.60 -3.47 112.91 107.54 3hbx h THR 361 Ca -0.00 -0.63 -0.30 0.00 -0.55 0.00 0.00 66.41 64.93 3hbx h THR 361 Cb 0.15 1.47 -0.06 0.00 -1.73 0.00 0.00 68.15 67.98 3hbx h THR 361 CO 0.01 0.00 -0.33 -0.62 -0.25 0.00 0.00 175.52 174.32 3hbx n GLU 362 N -2.42 -1.76 -0.01 4.72 1.02 -0.24 -4.80 120.64 117.15 3hbx n GLU 362 Ca 0.04 0.78 0.10 0.00 -0.02 0.00 0.00 57.16 58.06 3hbx n GLU 362 Cb 0.46 -5.25 -0.15 0.00 -0.02 0.00 0.00 31.44 26.49 3hbx n GLU 362 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3hbx n ARG 363 N -2.49 0.47 -4.39 3.49 1.74 -1.26 -4.96 116.66 109.26 3hbx n ARG 363 Ca -0.16 -0.12 -0.20 0.00 -0.77 0.00 0.00 57.85 56.59 3hbx n ARG 363 Cb 0.57 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.42 3hbx n ARG 363 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3hbx s PHE 364 N -3.27 1.92 -0.30 -1.55 0.40 -1.26 -1.17 117.98 112.74 3hbx s PHE 364 Ca -0.02 -0.50 -0.06 0.00 -0.60 0.00 0.00 56.93 55.75 3hbx s PHE 364 Cb 0.14 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.82 3hbx s PHE 364 CO 0.87 0.48 0.07 -0.80 0.70 0.00 0.00 175.22 176.54 3hbx s ASN 365 N -3.39 5.09 -0.28 1.36 0.01 0.14 -4.77 114.94 113.10 3hbx s ASN 365 Ca 0.25 -0.88 -0.29 0.00 -0.71 0.00 0.00 52.86 51.24 3hbx s ASN 365 Cb -0.02 -1.85 -0.02 0.00 0.41 0.00 0.00 41.25 39.77 3hbx s ASN 365 CO 0.10 -0.23 1.77 -0.63 -1.51 0.00 0.00 177.10 176.59 3hbx s ILE 366 N 1.44 3.51 -2.96 0.60 -1.09 -1.26 -1.02 121.20 120.42 3hbx s ILE 366 Ca 0.01 0.54 0.24 0.00 -2.23 0.00 0.00 60.65 59.20 3hbx s ILE 366 Cb -0.18 -3.62 0.21 0.00 -1.58 0.00 0.00 42.46 37.29 3hbx s ILE 366 CO 0.02 -0.36 1.28 0.55 -1.23 0.00 0.00 174.94 175.20 3hbx n VAL 367 N 7.11 0.02 -3.99 2.92 3.14 0.10 -4.92 118.33 122.72 3hbx n VAL 367 Ca 0.22 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.88 3hbx n VAL 367 Cb 0.46 1.44 -0.04 0.00 -1.06 0.00 0.00 33.84 34.64 3hbx n VAL 367 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 3hbx s SER 368 N -1.98 5.45 0.71 6.55 1.04 -1.04 -4.92 113.70 119.51 3hbx s SER 368 Ca 0.29 -0.34 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 3hbx s SER 368 Cb 0.20 -1.24 0.09 0.00 0.10 0.00 0.00 66.02 65.17 3hbx s SER 368 CO 0.30 -0.16 1.01 -0.54 0.98 0.00 0.00 173.24 174.82 3hbx s LYS 369 N -3.91 1.97 0.09 4.02 -0.14 -1.26 -4.93 119.74 115.58 3hbx s LYS 369 Ca 0.36 -0.54 -0.13 0.00 -1.36 0.00 0.00 55.97 54.30 3hbx s LYS 369 Cb -0.07 -2.22 -0.18 0.00 -1.68 0.00 0.00 37.83 33.68 3hbx s LYS 369 CO 0.26 -1.33 1.27 -0.44 -0.76 0.00 0.00 175.35 174.34 3hbx h ASP 370 N -0.60 0.92 -3.35 2.83 3.32 -1.97 -3.45 116.42 114.12 3hbx h ASP 370 Ca -0.42 -0.66 -0.65 0.00 0.02 0.00 0.00 57.03 55.32 3hbx h ASP 370 Cb 1.29 -0.28 -0.16 0.00 0.22 0.00 0.00 39.33 40.41 3hbx h ASP 370 CO 0.52 1.44 -0.74 -1.61 -1.72 0.00 0.00 179.24 177.13 3hbx s GLU 371 N -3.63 2.03 0.00 3.56 0.41 -1.26 -5.02 118.70 114.79 3hbx s GLU 371 Ca -0.10 -1.16 0.00 0.00 -0.41 0.00 0.00 54.97 53.30 3hbx s GLU 371 Cb 0.08 -2.21 0.00 0.00 -1.78 0.00 0.00 34.13 30.22 3hbx s GLU 371 CO 0.91 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 176.56 3hbx n GLY 372 N 0.43 0.51 3.73 -1.39 0.00 -1.26 -4.69 105.19 102.52 3hbx n GLY 372 Ca -0.13 -1.69 -0.42 0.00 0.00 0.00 0.00 46.02 43.79 3hbx n GLY 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hbx s VAL 373 N -2.63 2.97 -0.92 1.61 1.01 0.15 -4.88 120.40 117.72 3hbx s VAL 373 Ca 0.00 0.74 -0.25 0.00 0.00 0.00 0.00 61.98 62.47 3hbx s VAL 373 Cb 0.00 -3.48 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 3hbx s VAL 373 CO 0.00 0.08 2.20 -2.84 0.00 0.00 0.00 175.10 174.54 3hbx s PRO 374 N 0.48 1.80 0.28 2.72 0.02 -1.26 -4.81 135.00 134.22 3hbx s PRO 374 Ca 0.63 -0.04 -0.18 0.00 0.02 0.00 0.00 61.00 61.43 3hbx s PRO 374 Cb -0.40 -4.93 0.01 0.00 0.02 0.00 0.00 34.50 29.21 3hbx s PRO 374 CO 0.35 -4.40 0.64 -0.48 -0.33 0.00 0.00 177.00 172.79 3hbx s LEU 375 N 13.88 -0.03 -0.12 -5.54 0.05 -1.26 -1.47 118.68 124.18 3hbx s LEU 375 Ca 0.83 -0.76 -0.01 0.00 0.05 0.00 0.00 54.13 54.23 3hbx s LEU 375 Cb -0.09 2.40 0.04 0.00 -2.05 0.00 0.00 46.19 46.49 3hbx s LEU 375 CO 0.09 -1.30 -0.02 -0.69 -0.55 0.00 0.00 176.35 173.88 3hbx s VAL 376 N -3.84 0.65 -0.15 1.48 1.01 -0.35 -4.92 120.40 114.28 3hbx s VAL 376 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.90 3hbx s VAL 376 Cb -0.04 -0.85 -0.02 0.00 0.00 0.00 0.00 36.38 35.47 3hbx s VAL 376 CO 0.08 0.18 -0.07 0.00 0.00 0.00 0.00 175.10 175.29 3hbx s ALA 377 N 1.84 2.88 0.02 5.51 0.00 -1.26 -0.99 121.76 129.76 3hbx s ALA 377 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 51.96 51.04 3hbx s ALA 377 Cb -0.14 -1.45 0.01 0.00 0.00 0.00 0.00 23.12 21.54 3hbx s ALA 377 CO -0.07 0.20 0.20 -0.59 0.00 0.00 0.00 175.76 175.50 3hbx s PHE 378 N 0.39 0.01 0.31 0.00 -0.71 -0.12 0.02 117.98 117.88 3hbx s PHE 378 Ca -0.06 -0.12 0.10 0.00 -1.04 0.00 0.00 56.93 55.81 3hbx s PHE 378 Cb -0.15 -0.01 -0.05 0.00 -1.21 0.00 0.00 43.02 41.60 3hbx s PHE 378 CO 0.04 -0.37 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.32 3hbx s SER 379 N -1.70 3.86 -0.09 1.98 0.01 -0.19 -0.11 113.70 117.46 3hbx s SER 379 Ca -0.10 -1.04 -0.28 0.00 1.31 0.00 0.00 55.95 55.84 3hbx s SER 379 Cb -0.04 -0.42 -0.02 0.00 0.21 0.00 0.00 66.02 65.75 3hbx s SER 379 CO -0.00 -0.10 0.93 -0.76 0.41 0.00 0.00 173.24 173.71 3hbx s LEU 380 N -3.60 4.27 -0.03 2.44 1.43 -1.26 0.25 118.68 122.18 3hbx s LEU 380 Ca 0.32 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 3hbx s LEU 380 Cb -0.02 -3.44 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 3hbx s LEU 380 CO 0.17 -0.36 1.74 -0.54 0.23 0.00 0.00 176.35 177.59 3hbx s LYS 381 N 1.67 4.17 -0.27 1.70 1.02 -0.32 -3.90 119.74 123.82 3hbx s LYS 381 Ca 0.46 2.31 -0.09 0.00 0.02 0.00 0.00 55.97 58.66 3hbx s LYS 381 Cb -0.18 -4.02 0.01 0.00 -0.52 0.00 0.00 37.83 33.11 3hbx s LYS 381 CO 0.19 -0.87 0.33 -3.47 -0.92 0.00 0.00 175.35 170.61 3hbx n ASP 382 N 7.21 -5.89 -1.81 2.83 2.03 -1.26 -4.86 116.55 114.80 3hbx n ASP 382 Ca 0.18 0.44 -0.10 0.00 0.52 0.00 0.00 54.79 55.83 3hbx n ASP 382 Cb 0.42 -3.86 -0.03 0.00 -0.72 0.00 0.00 41.12 36.93 3hbx n ASP 382 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 3hbx n SER 383 N -0.25 5.76 0.00 1.67 7.64 -1.25 -4.60 113.62 122.58 3hbx n SER 383 Ca 0.07 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.26 3hbx n SER 383 Cb 0.26 -1.18 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3hbx n SER 383 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3hbx n SER 384 N 1.31 0.00 0.22 6.43 3.41 -1.26 -4.50 113.62 119.23 3hbx n SER 384 Ca 0.22 0.10 0.10 0.00 -0.26 0.00 0.00 58.87 59.03 3hbx n SER 384 Cb 0.61 -0.09 0.44 0.00 -0.26 0.00 0.00 64.21 64.91 3hbx n SER 384 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hbx s HIS 386 N -3.60 0.01 0.29 0.00 3.76 -1.26 -5.15 115.29 109.34 3hbx s HIS 386 Ca 0.01 -0.00 0.07 0.00 -0.15 0.00 0.00 55.06 54.99 3hbx s HIS 386 Cb 0.10 -0.02 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 3hbx s HIS 386 CO 0.64 -0.05 0.30 0.95 -0.85 0.00 0.00 174.74 175.72 3hbx s THR 387 N -0.22 4.18 0.44 1.30 -4.23 -1.26 -4.62 115.64 111.22 3hbx s THR 387 Ca -0.03 -1.27 0.22 0.00 -1.18 0.00 0.00 61.69 59.44 3hbx s THR 387 Cb -0.02 -3.39 0.25 0.00 1.34 0.00 0.00 72.50 70.68 3hbx s THR 387 CO -0.00 -0.26 2.05 -0.33 -0.54 0.00 0.00 174.62 175.54 3hbx h GLU 388 N 1.27 0.00 -0.35 3.99 3.07 -1.96 -2.16 114.58 118.43 3hbx h GLU 388 Ca -0.47 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.32 3hbx h GLU 388 Cb 1.25 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 3hbx h GLU 388 CO 0.59 0.14 -0.06 0.74 -1.40 0.00 0.00 179.01 179.02 3hbx h PHE 389 N 0.00 0.62 -0.58 4.33 -1.00 -1.95 -1.69 116.94 116.67 3hbx h PHE 389 Ca -0.00 -0.08 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 3hbx h PHE 389 Cb 0.32 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 3hbx h PHE 389 CO 0.00 0.64 0.16 0.93 -1.61 0.00 0.00 178.31 178.43 3hbx h GLU 390 N 0.55 0.92 -0.60 1.51 5.08 -1.79 -1.93 114.58 118.32 3hbx h GLU 390 Ca 0.11 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 3hbx h GLU 390 Cb 0.44 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3hbx h GLU 390 CO 0.02 0.84 0.14 0.82 -1.00 0.00 0.00 179.01 179.84 3hbx h ILE 391 N 0.84 1.24 -0.33 3.13 2.04 -1.43 -1.01 117.51 121.99 3hbx h ILE 391 Ca 0.19 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.15 3hbx h ILE 391 Cb 0.32 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3hbx h ILE 391 CO -0.00 0.33 0.14 -1.28 0.00 0.00 0.00 178.15 177.34 3hbx h SER 392 N 0.90 0.44 -0.50 1.72 0.87 -1.03 -2.12 113.55 113.82 3hbx h SER 392 Ca 0.19 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3hbx h SER 392 Cb 0.32 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 3hbx h SER 392 CO -0.00 0.46 0.18 0.44 -0.53 0.00 0.00 176.83 177.38 3hbx h ASP 393 N 0.39 0.71 -0.58 6.23 3.32 -1.14 -2.99 116.42 122.36 3hbx h ASP 393 Ca 0.11 -0.19 0.02 0.00 0.02 0.00 0.00 57.03 57.00 3hbx h ASP 393 Cb 0.15 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 3hbx h ASP 393 CO -0.01 0.70 0.36 -0.03 -1.72 0.00 0.00 179.24 178.54 3hbx h MET 394 N 0.67 0.69 0.00 3.56 4.05 -1.04 -2.14 114.93 120.71 3hbx h MET 394 Ca 0.16 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.50 3hbx h MET 394 Cb 0.23 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 3hbx h MET 394 CO -0.01 0.45 -0.18 -0.07 0.23 0.00 0.00 176.91 177.33 3hbx h LEU 395 N 0.71 0.00 -1.47 3.39 3.38 -1.30 -2.56 115.31 117.45 3hbx h LEU 395 Ca 0.23 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.41 3hbx h LEU 395 Cb 0.01 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3hbx h LEU 395 CO -0.09 0.18 0.60 0.03 0.09 0.00 0.00 178.44 179.25 3hbx h ARG 396 N 0.00 0.42 -0.24 1.13 2.47 -1.24 -0.83 114.38 116.08 3hbx h ARG 396 Ca -0.00 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.67 3hbx h ARG 396 Cb 0.36 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3hbx h ARG 396 CO 0.02 0.28 0.06 0.00 0.56 0.00 0.00 179.97 180.89 3hbx h ARG 397 N 0.43 0.34 0.00 0.04 3.08 -1.56 -1.44 114.38 115.27 3hbx h ARG 397 Ca 0.48 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.49 3hbx h ARG 397 Cb 1.17 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.15 3hbx h ARG 397 CO -0.19 0.32 -0.32 0.66 -1.07 0.00 0.00 179.97 179.36 3hbx n TYR 398 N -4.40 0.60 0.00 3.04 4.02 -0.34 -4.92 117.16 115.17 3hbx n TYR 398 Ca 0.01 0.17 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 3hbx n TYR 398 Cb 0.15 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.76 3hbx n TYR 398 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hbx n GLY 399 N 1.36 0.66 3.74 2.72 0.00 -0.54 -5.08 105.19 108.05 3hbx n GLY 399 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hbx n GLY 399 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hbx s TRP 400 N -2.00 3.69 -0.40 1.61 0.52 -1.11 -4.78 118.94 116.46 3hbx s TRP 400 Ca 0.00 1.70 -0.04 0.00 0.02 0.00 0.00 56.10 57.78 3hbx s TRP 400 Cb 0.00 -3.20 0.10 0.00 -1.15 0.00 0.00 33.47 29.22 3hbx s TRP 400 CO 0.00 -0.31 0.19 0.42 0.02 0.00 0.00 176.95 177.27 3hbx s ILE 401 N -0.59 3.43 -0.19 2.03 1.01 -0.99 -3.26 121.20 122.65 3hbx s ILE 401 Ca 0.46 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 59.28 3hbx s ILE 401 Cb -0.29 -3.25 0.04 0.00 0.01 0.00 0.00 42.46 38.97 3hbx s ILE 401 CO 0.35 -0.58 -0.10 -0.69 0.00 0.00 0.00 174.94 173.93 3hbx s VAL 402 N 1.21 1.54 0.47 2.92 1.01 -1.26 -1.39 120.40 124.90 3hbx s VAL 402 Ca 0.05 -0.89 -0.18 0.00 0.00 0.00 0.00 61.98 60.96 3hbx s VAL 402 Cb -0.22 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 3hbx s VAL 402 CO -0.03 0.20 0.95 -2.16 0.00 0.00 0.00 175.10 174.06 3hbx s PRO 403 N 1.45 4.04 0.01 2.72 0.05 -1.26 -4.55 135.00 137.46 3hbx s PRO 403 Ca -0.00 0.97 0.07 0.00 0.05 0.00 0.00 61.00 62.08 3hbx s PRO 403 Cb -0.16 -2.18 -0.02 0.00 0.05 0.00 0.00 34.50 32.19 3hbx s PRO 403 CO -0.08 -0.15 -0.21 0.00 0.05 0.00 0.00 177.00 176.61 3hbx s ALA 404 N -2.43 1.73 0.13 8.56 0.00 -1.26 -2.61 121.76 125.88 3hbx s ALA 404 Ca 0.59 -0.95 -0.24 0.00 0.00 0.00 0.00 51.96 51.36 3hbx s ALA 404 Cb -0.10 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.69 3hbx s ALA 404 CO 0.24 0.41 0.60 1.52 0.00 0.00 0.00 175.76 178.53 3hbx s TYR 405 N -0.60 -0.54 0.07 0.00 -0.85 -0.83 -4.99 117.35 109.59 3hbx s TYR 405 Ca 0.08 0.43 -0.05 0.00 -0.52 0.00 0.00 57.07 57.01 3hbx s TYR 405 Cb -0.08 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.73 3hbx s TYR 405 CO 0.00 -0.80 0.30 0.95 -1.52 0.00 0.00 175.55 174.48 3hbx s THR 406 N -3.35 5.26 0.72 -3.49 -4.23 -1.26 -1.04 115.64 108.25 3hbx s THR 406 Ca -0.01 0.05 -0.13 0.00 -1.18 0.00 0.00 61.69 60.42 3hbx s THR 406 Cb -0.01 -3.60 0.03 0.00 1.34 0.00 0.00 72.50 70.27 3hbx s THR 406 CO -0.09 0.22 1.12 -0.04 -0.54 0.00 0.00 174.62 175.28 3hbx s MET 407 N -2.18 2.41 0.70 3.99 1.00 0.15 -4.99 119.30 120.38 3hbx s MET 407 Ca 0.33 1.37 -0.12 0.00 0.00 0.00 0.00 55.69 57.28 3hbx s MET 407 Cb -0.13 -1.90 0.01 0.00 0.00 0.00 0.00 34.83 32.81 3hbx s MET 407 CO 0.21 -1.55 1.07 -2.14 0.00 0.00 0.00 175.02 172.61 3hbx s PRO 408 N -4.39 2.80 0.50 2.03 0.02 -1.26 -3.47 135.00 131.23 3hbx s PRO 408 Ca 0.66 1.08 -0.21 0.00 0.02 0.00 0.00 61.00 62.55 3hbx s PRO 408 Cb -0.20 -1.97 -0.08 0.00 0.02 0.00 0.00 34.50 32.26 3hbx s PRO 408 CO 0.48 -1.22 0.91 -0.35 -0.33 0.00 0.00 177.00 176.50 3hbx n PRO 409 N -3.02 1.07 -1.87 5.54 -0.04 -1.26 -1.40 135.00 134.01 3hbx n PRO 409 Ca 0.08 0.39 -0.38 0.00 -0.04 0.00 0.00 63.50 63.56 3hbx n PRO 409 Cb 0.53 -2.02 0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3hbx n PRO 409 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3hbx n ASN 410 N 0.11 7.37 -1.26 3.54 3.02 0.25 -0.78 115.26 127.53 3hbx n ASN 410 Ca 0.11 -3.74 0.02 0.00 -0.03 0.00 0.00 54.58 50.94 3hbx n ASN 410 Cb 0.43 -1.10 0.11 0.00 -0.61 0.00 0.00 39.78 38.61 3hbx n ASN 410 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hbx n ALA 411 N -0.30 3.26 0.29 5.41 0.00 -0.49 -4.50 120.51 124.17 3hbx n ALA 411 Ca 0.53 -2.97 0.03 0.00 0.00 0.00 0.00 53.44 51.03 3hbx n ALA 411 Cb 0.28 -0.53 0.15 0.00 0.00 0.00 0.00 19.45 19.35 3hbx n ALA 411 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hbx n GLN 412 N -0.46 0.10 0.00 0.00 6.02 -1.23 -1.14 117.38 120.68 3hbx n GLN 412 Ca 0.16 0.20 0.13 0.00 -0.01 0.00 0.00 57.00 57.48 3hbx n GLN 412 Cb 0.89 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 31.00 3hbx n GLN 412 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 3hbx n HIS 413 N -1.24 0.00 -3.84 1.08 1.44 -1.26 -4.70 115.22 106.69 3hbx n HIS 413 Ca 0.03 0.00 -0.36 0.00 -2.01 0.00 0.00 57.72 55.38 3hbx n HIS 413 Cb 0.04 -0.05 -0.12 0.00 0.12 0.00 0.00 29.99 29.99 3hbx n HIS 413 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 3hbx s ILE 414 N -2.26 4.53 -0.10 0.61 -1.09 -0.29 -5.04 121.20 117.56 3hbx s ILE 414 Ca 0.29 -0.11 0.03 0.00 -2.23 0.00 0.00 60.65 58.63 3hbx s ILE 414 Cb 0.20 -3.10 -0.01 0.00 -1.58 0.00 0.00 42.46 37.98 3hbx s ILE 414 CO 0.43 0.37 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.42 3hbx s THR 415 N 1.24 2.39 0.17 2.92 2.01 -1.26 -0.67 115.64 122.44 3hbx s THR 415 Ca 0.05 -0.91 0.07 0.00 0.31 0.00 0.00 61.69 61.21 3hbx s THR 415 Cb -0.14 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 3hbx s THR 415 CO 0.04 0.55 -0.14 0.68 -0.69 0.00 0.00 174.62 175.06 3hbx s VAL 416 N 0.27 1.58 -0.04 3.82 -7.23 -0.21 -4.49 120.40 114.09 3hbx s VAL 416 Ca -0.14 -2.05 -0.01 0.00 -1.81 0.00 0.00 61.98 57.96 3hbx s VAL 416 Cb -0.17 -1.89 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 3hbx s VAL 416 CO 0.07 -0.55 0.04 -0.76 -0.31 0.00 0.00 175.10 173.60 3hbx s LEU 417 N -3.04 3.77 -0.05 1.32 1.43 0.84 -1.97 118.68 120.98 3hbx s LEU 417 Ca 0.18 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 3hbx s LEU 417 Cb -0.02 -2.04 0.00 0.00 0.03 0.00 0.00 46.19 44.16 3hbx s LEU 417 CO 0.05 0.33 -0.16 -0.60 0.23 0.00 0.00 176.35 176.20 3hbx s ARG 418 N -1.33 1.82 -0.23 1.70 3.52 -1.07 -0.95 118.95 122.41 3hbx s ARG 418 Ca 0.18 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.25 3hbx s ARG 418 Cb -0.12 -1.53 0.05 0.00 -1.56 0.00 0.00 34.95 31.80 3hbx s ARG 418 CO 0.08 0.15 -0.09 0.08 -0.81 0.00 0.00 175.30 174.71 3hbx s VAL 419 N 0.29 1.77 -0.09 7.11 1.01 -0.16 -4.00 120.40 126.33 3hbx s VAL 419 Ca -0.09 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 3hbx s VAL 419 Cb -0.13 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 3hbx s VAL 419 CO 0.03 0.05 0.73 -0.69 0.00 0.00 0.00 175.10 175.22 3hbx s VAL 420 N 1.31 5.01 -0.39 2.92 1.01 -0.71 -1.21 120.40 128.34 3hbx s VAL 420 Ca -0.04 1.48 -0.16 0.00 0.00 0.00 0.00 61.98 63.25 3hbx s VAL 420 Cb -0.18 -4.06 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3hbx s VAL 420 CO -0.07 0.20 0.41 -0.63 0.00 0.00 0.00 175.10 175.01 3hbx s ILE 421 N 1.11 5.12 0.58 2.22 -1.09 -0.55 -4.84 121.20 123.75 3hbx s ILE 421 Ca 0.38 -0.20 0.08 0.00 -2.23 0.00 0.00 60.65 58.68 3hbx s ILE 421 Cb -0.18 -3.95 0.08 0.00 -1.58 0.00 0.00 42.46 36.83 3hbx s ILE 421 CO 0.17 -0.29 0.65 -0.13 -1.23 0.00 0.00 174.94 174.11 3hbx s ARG 422 N 2.08 2.25 0.28 2.79 0.52 -1.26 -4.78 118.95 120.82 3hbx s ARG 422 Ca 0.12 -1.83 -0.01 0.00 -0.52 0.00 0.00 55.73 53.49 3hbx s ARG 422 Cb -0.17 -2.42 0.47 0.00 0.52 0.00 0.00 34.95 33.36 3hbx s ARG 422 CO 0.13 -0.82 1.87 1.49 0.02 0.00 0.00 175.30 177.99 3hbx h GLU 423 N 0.36 1.07 -0.94 3.54 4.81 -1.97 -2.62 114.58 118.83 3hbx h GLU 423 Ca -0.32 -0.06 -0.29 0.00 -0.13 0.00 0.00 59.36 58.56 3hbx h GLU 423 Cb 1.30 -0.24 -0.17 0.00 0.63 0.00 0.00 28.75 30.26 3hbx h GLU 423 CO 0.47 0.71 0.37 -0.40 -0.73 0.00 0.00 179.01 179.43 3hbx n ASP 424 N -4.53 3.73 -4.12 1.04 3.85 -1.26 -4.75 116.55 110.50 3hbx n ASP 424 Ca 0.16 -3.04 -0.37 0.00 -0.71 0.00 0.00 54.79 50.83 3hbx n ASP 424 Cb 0.24 -0.72 -0.10 0.00 -1.35 0.00 0.00 41.12 39.19 3hbx n ASP 424 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.20 176.31 3hbx s PHE 425 N -2.34 3.49 0.86 2.11 5.36 -0.99 -5.09 117.98 121.39 3hbx s PHE 425 Ca 0.40 -2.50 -0.13 0.00 -0.96 0.00 0.00 56.93 53.75 3hbx s PHE 425 Cb 0.33 -3.26 0.11 0.00 -0.34 0.00 0.00 43.02 39.86 3hbx s PHE 425 CO 0.09 -0.91 1.18 -1.54 -1.46 0.00 0.00 175.22 172.58 3hbx s SER 426 N 1.34 3.98 0.39 6.13 1.04 -1.26 -4.86 113.70 120.46 3hbx s SER 426 Ca 0.13 0.77 0.08 0.00 0.48 0.00 0.00 55.95 57.40 3hbx s SER 426 Cb -0.21 -1.22 0.80 0.00 0.10 0.00 0.00 66.02 65.49 3hbx s SER 426 CO -0.04 -2.24 1.98 -0.09 0.98 0.00 0.00 173.24 173.84 3hbx h ARG 427 N -1.28 0.42 -0.43 4.02 9.65 -1.98 -1.78 114.38 123.00 3hbx h ARG 427 Ca -0.47 -0.06 0.02 0.00 -1.10 0.00 0.00 59.98 58.37 3hbx h ARG 427 Cb 1.32 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 3hbx h ARG 427 CO 0.61 0.39 0.24 1.15 2.80 0.00 0.00 179.97 185.16 3hbx h THR 428 N 0.42 1.03 -0.38 0.20 2.02 -2.00 -0.50 112.91 113.70 3hbx h THR 428 Ca 0.10 -0.17 -0.14 0.00 0.77 0.00 0.00 66.41 66.97 3hbx h THR 428 Cb 0.15 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3hbx h THR 428 CO -0.01 0.09 -0.33 -0.07 0.37 0.00 0.00 175.52 175.57 3hbx h LEU 429 N 0.49 0.94 -0.51 2.58 4.07 -1.84 -2.42 115.31 118.63 3hbx h LEU 429 Ca 0.17 -0.45 0.06 0.00 0.08 0.00 0.00 57.88 57.74 3hbx h LEU 429 Cb 0.03 -0.26 -0.05 0.00 1.08 0.00 0.00 40.66 41.45 3hbx h LEU 429 CO -0.09 1.20 0.21 0.00 -1.08 0.00 0.00 178.44 178.68 3hbx h ALA 430 N 0.77 0.64 -0.15 1.53 0.00 -0.94 -0.24 119.26 120.86 3hbx h ALA 430 Ca 0.07 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3hbx h ALA 430 Cb 0.92 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3hbx h ALA 430 CO 0.08 -0.16 -0.52 0.93 0.00 0.00 0.00 179.25 179.58 3hbx h GLU 431 N 0.42 0.43 0.00 0.00 5.08 -1.07 -2.61 114.58 116.82 3hbx h GLU 431 Ca 0.24 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 3hbx h GLU 431 Cb 0.21 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 3hbx h GLU 431 CO -0.21 0.85 -0.42 0.00 -1.00 0.00 0.00 179.01 178.23 3hbx h ARG 432 N 0.34 0.00 -0.20 2.33 3.08 -1.02 -2.56 114.38 116.34 3hbx h ARG 432 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 3hbx h ARG 432 Cb 1.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.07 3hbx h ARG 432 CO 0.09 0.42 -0.07 1.25 -1.07 0.00 0.00 179.97 180.59 3hbx h LEU 433 N 0.00 0.42 -0.31 3.04 6.46 -0.73 -1.51 115.31 122.67 3hbx h LEU 433 Ca -0.00 -0.39 0.02 0.00 -0.12 0.00 0.00 57.88 57.39 3hbx h LEU 433 Cb 0.77 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 3hbx h LEU 433 CO 0.05 0.71 0.16 0.58 -0.62 0.00 0.00 178.44 179.32 3hbx h VAL 434 N 0.12 0.99 -0.44 1.05 2.07 -1.38 -0.13 116.25 118.53 3hbx h VAL 434 Ca 0.05 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3hbx h VAL 434 Cb 0.54 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 3hbx h VAL 434 CO 0.02 0.06 0.26 0.40 0.02 0.00 0.00 177.57 178.33 3hbx h ILE 435 N 0.33 1.04 0.00 4.57 2.04 -1.41 -1.62 117.51 122.46 3hbx h ILE 435 Ca 0.13 -0.18 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3hbx h ILE 435 Cb 0.04 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hbx h ILE 435 CO -0.09 0.10 -0.37 0.44 0.00 0.00 0.00 178.15 178.23 3hbx h ASP 436 N 0.52 0.00 -0.21 1.72 3.32 -0.98 -1.44 116.42 119.36 3hbx h ASP 436 Ca 0.18 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 3hbx h ASP 436 Cb 0.01 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3hbx h ASP 436 CO -0.08 0.37 -0.54 0.40 -1.72 0.00 0.00 179.24 177.67 3hbx h ILE 437 N 0.00 1.28 -0.55 0.35 2.04 -0.61 -2.15 117.51 117.87 3hbx h ILE 437 Ca -0.00 -1.74 -0.06 0.00 1.00 0.00 0.00 64.86 64.06 3hbx h ILE 437 Cb 0.83 1.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 3hbx h ILE 437 CO 0.05 0.56 0.11 -0.33 0.00 0.00 0.00 178.15 178.54 3hbx h GLU 438 N 0.62 0.90 -0.83 2.37 5.08 -0.93 -2.01 114.58 119.78 3hbx h GLU 438 Ca 0.01 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3hbx h GLU 438 Cb 1.13 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3hbx h GLU 438 CO 0.12 0.86 0.53 0.87 -1.00 0.00 0.00 179.01 180.38 3hbx h LYS 439 N 0.79 1.00 -0.39 2.33 1.57 -1.22 -2.16 116.57 118.49 3hbx h LYS 439 Ca 0.17 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3hbx h LYS 439 Cb 0.38 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3hbx h LYS 439 CO 0.01 0.66 -0.06 0.28 -0.57 0.00 0.00 179.45 179.77 3hbx h VAL 440 N 1.02 1.23 -0.39 0.50 2.07 -1.09 -1.71 116.25 117.89 3hbx h VAL 440 Ca 0.33 -1.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.75 3hbx h VAL 440 Cb 0.02 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3hbx h VAL 440 CO -0.12 0.34 -0.17 0.24 0.02 0.00 0.00 177.57 177.89 3hbx h MET 441 N 0.61 0.73 -0.06 1.57 2.86 -0.82 -2.58 114.93 117.24 3hbx h MET 441 Ca 0.12 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 3hbx h MET 441 Cb 0.47 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.07 3hbx h MET 441 CO 0.02 0.86 -0.02 0.00 1.06 0.00 0.00 176.91 178.83 3hbx h ARG 442 N 0.66 0.12 -0.49 1.72 3.08 -1.07 -2.09 114.38 116.31 3hbx h ARG 442 Ca 0.10 -0.05 0.14 0.00 0.07 0.00 0.00 59.98 60.25 3hbx h ARG 442 Cb 0.64 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 3hbx h ARG 442 CO 0.05 0.47 0.47 0.93 -1.07 0.00 0.00 179.97 180.81 3hbx h GLU 443 N -0.23 0.00 0.03 0.04 5.08 -1.24 0.46 114.58 118.72 3hbx h GLU 443 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.12 3hbx h GLU 443 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 3hbx h GLU 443 CO 0.01 0.00 -1.35 -0.07 -1.00 0.00 0.00 179.01 176.60 3hbx h LEU 444 N 0.00 0.11 -0.00 1.33 3.38 -1.18 -3.28 115.31 115.67 3hbx h LEU 444 Ca 0.23 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3hbx h LEU 444 Cb 1.16 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3hbx h LEU 444 CO -0.00 1.13 0.00 0.47 0.09 0.00 0.00 178.44 180.12 3hbx n ASP 445 N -3.29 0.00 -1.70 -0.43 8.00 0.15 -2.11 116.55 117.17 3hbx n ASP 445 Ca -0.09 0.50 -0.17 0.00 0.71 0.00 0.00 54.79 55.73 3hbx n ASP 445 Cb 1.00 -0.50 0.08 0.00 -0.02 0.00 0.00 41.12 41.68 3hbx n ASP 445 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3hbx n GLU 446 N -1.50 2.98 0.00 -1.24 4.71 -1.19 -5.11 120.64 119.28 3hbx n GLU 446 Ca 0.02 -3.83 0.00 0.00 -0.01 0.00 0.00 57.16 53.33 3hbx n GLU 446 Cb 0.08 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.40 3hbx n GLU 446 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50