#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 1.48 -0.08 4.52 3.41 -1.26 -4.75 113.62 116.94 3hbx n SER 13 Ca 0.00 -3.23 0.13 0.00 -0.26 0.00 0.00 58.87 55.51 3hbx n SER 13 Cb 0.00 -0.45 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 -0.60 0.00 -2.36 -3.33 0.24 -1.26 -4.88 118.33 106.14 3hbx n VAL 14 Ca 0.14 -0.04 -0.41 0.00 -2.04 0.00 0.00 64.34 61.99 3hbx n VAL 14 Cb 0.83 0.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 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 -2.76 3.41 0.73 6.34 4.02 -1.26 -5.03 115.29 120.74 3hbx s HIS 15 Ca 0.19 1.48 -0.12 0.00 1.02 0.00 0.00 55.06 57.63 3hbx s HIS 15 Cb 0.19 -3.44 0.04 0.00 -1.02 0.00 0.00 32.58 28.35 3hbx s HIS 15 CO 0.57 -1.16 1.11 -1.54 1.02 0.00 0.00 174.74 174.74 3hbx s SER 16 N -0.21 4.68 0.39 1.40 1.04 -1.26 -4.83 113.70 114.90 3hbx s SER 16 Ca 0.50 1.93 0.10 0.00 0.48 0.00 0.00 55.95 58.96 3hbx s SER 16 Cb -0.34 -2.54 0.88 0.00 0.10 0.00 0.00 66.02 64.12 3hbx s SER 16 CO 0.40 -1.92 1.93 0.71 0.98 0.00 0.00 173.24 175.34 3hbx h THR 17 N -0.65 0.91 -0.01 2.02 1.35 -1.95 0.08 112.91 114.65 3hbx h THR 17 Ca -0.45 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 3hbx h THR 17 Cb 1.24 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 3hbx h THR 17 CO 0.52 0.11 -0.05 0.49 -0.25 0.00 0.00 175.52 176.34 3hbx n PHE 18 N -4.50 0.00 0.85 4.73 3.72 -1.26 -2.93 117.46 118.07 3hbx n PHE 18 Ca 0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.61 3hbx n PHE 18 Cb 0.37 -0.04 -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 -0.32 4.28 -1.96 4.37 0.00 -0.05 -5.01 120.51 121.83 3hbx n ALA 19 Ca 0.19 -0.52 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 3hbx n ALA 19 Cb 0.29 -0.66 0.14 0.00 0.00 0.00 0.00 19.45 19.23 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 -2.66 3.84 0.00 0.00 1.04 -0.83 -4.90 113.70 110.18 3hbx s SER 20 Ca 0.08 -0.04 0.20 0.00 0.48 0.00 0.00 55.95 56.66 3hbx s SER 20 Cb 0.14 -0.21 0.58 0.00 0.10 0.00 0.00 66.02 66.63 3hbx s SER 20 CO 0.72 -2.23 1.46 -2.11 0.98 0.00 0.00 173.24 172.06 3hbx n ARG 21 N -3.25 2.00 0.15 4.02 -4.01 -1.26 -4.02 116.66 110.29 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 2.88 0.00 -0.09 2.89 0.05 -1.94 -3.16 116.97 117.60 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 0.64 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.38 3hbx h TYR 22 CO 0.19 0.27 0.00 1.33 -1.05 0.00 0.00 178.16 178.90 3hbx n VAL 23 N -3.06 0.11 0.64 -2.88 0.24 -1.26 -3.37 118.33 108.76 3hbx n VAL 23 Ca 0.01 -0.23 0.11 0.00 -2.04 0.00 0.00 64.34 62.19 3hbx n VAL 23 Cb 0.65 0.20 -0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 -4.42 7.34 1.74 -1.19 -4.87 116.66 115.46 3hbx n ARG 24 Ca 0.17 -0.02 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 3hbx n ARG 24 Cb 0.27 -1.56 -0.11 0.00 -1.02 0.00 0.00 32.46 30.04 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 4.09 0.47 0.55 2.01 -1.22 -5.11 115.64 113.27 3hbx s THR 25 Ca 0.04 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 3hbx s THR 25 Cb 0.15 -2.74 -0.09 0.00 0.01 0.00 0.00 72.50 69.83 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 -0.46 6.63 0.32 3.53 1.04 -1.26 -5.00 113.70 118.50 3hbx s SER 26 Ca 0.08 1.75 -0.29 0.00 0.48 0.00 0.00 55.95 57.97 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 -0.58 1.51 -0.76 0.98 0.00 0.00 173.24 174.41 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 2.92 -0.30 0.00 -1.03 0.00 0.00 54.13 56.36 3hbx s LEU 27 Cb -0.12 -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 1.36 -2.65 0.23 0.00 0.00 176.35 174.65 3hbx n PRO 28 N 1.46 2.07 -0.03 1.29 -0.02 -1.26 -4.94 135.00 133.57 3hbx n PRO 28 Ca 0.05 0.73 -0.01 0.00 -2.02 0.00 0.00 63.50 62.25 3hbx n PRO 28 Cb 0.39 -2.36 -0.08 0.00 -0.02 0.00 0.00 33.50 31.43 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 1.49 1.65 0.02 -0.52 1.74 -1.26 -4.91 116.66 114.88 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 30.51 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 -2.21 -0.07 -4.07 -1.55 3.72 -1.26 -5.07 117.46 106.95 3hbx n PHE 30 Ca -0.12 0.01 -0.34 0.00 -0.05 0.00 0.00 57.45 56.96 3hbx n PHE 30 Cb 0.64 0.04 -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 0.17 -1.08 1.02 -1.26 -5.08 119.74 114.67 3hbx s LYS 31 Ca 0.00 -0.41 -0.30 0.00 0.02 0.00 0.00 55.97 55.28 3hbx s LYS 31 Cb 0.00 -2.93 -0.08 0.00 -0.52 0.00 0.00 37.83 34.30 3hbx s LYS 31 CO 0.00 0.67 1.29 1.41 -0.92 0.00 0.00 175.35 177.80 3hbx s MET 32 N -1.60 4.40 0.61 1.68 -2.45 -1.26 -4.86 119.30 115.81 3hbx s MET 32 Ca 0.22 1.99 -0.20 0.00 -1.25 0.00 0.00 55.69 56.45 3hbx s MET 32 Cb -0.12 -3.23 -0.03 0.00 1.25 0.00 0.00 34.83 32.70 3hbx s MET 32 CO 0.12 -0.26 1.32 -2.14 1.05 0.00 0.00 175.02 175.12 3hbx s PRO 33 N 0.21 2.79 0.10 4.11 0.02 -1.26 -4.95 135.00 136.02 3hbx s PRO 33 Ca 0.58 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 3hbx s PRO 33 Cb -0.35 -2.01 -0.17 0.00 0.02 0.00 0.00 34.50 31.99 3hbx s PRO 33 CO 0.35 -1.44 1.26 0.93 -0.33 0.00 0.00 177.00 177.77 3hbx h GLU 34 N 0.91 0.65 -6.37 5.54 4.39 -2.08 -3.46 114.58 114.16 3hbx h GLU 34 Ca -0.51 -0.64 -0.61 0.00 0.34 0.00 0.00 59.36 57.94 3hbx h GLU 34 Cb 1.32 0.17 -0.12 0.00 -0.10 0.00 0.00 28.75 30.02 3hbx h GLU 34 CO 0.55 1.25 -0.69 -0.80 -1.16 0.00 0.00 179.01 178.15 3hbx s ASN 35 N -7.19 4.47 0.66 1.42 0.02 -1.26 -5.12 114.94 107.94 3hbx s ASN 35 Ca -0.09 -0.53 -0.13 0.00 -1.02 0.00 0.00 52.86 51.09 3hbx s ASN 35 Cb 0.08 -0.84 -0.00 0.00 0.02 0.00 0.00 41.25 40.51 3hbx s ASN 35 CO 0.90 0.08 1.07 -0.44 0.02 0.00 0.00 177.10 178.74 3hbx s SER 36 N -2.99 5.36 0.14 -1.22 0.01 -1.26 -5.09 113.70 108.64 3hbx s SER 36 Ca 0.27 1.79 0.07 0.00 1.31 0.00 0.00 55.95 59.38 3hbx s SER 36 Cb -0.09 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.58 3hbx s SER 36 CO 0.17 -1.46 -0.15 0.27 0.41 0.00 0.00 173.24 172.48 3hbx s ILE 37 N -2.69 1.46 0.38 1.44 -4.36 -1.26 -5.12 121.20 111.06 3hbx s ILE 37 Ca 0.62 -1.80 -0.26 0.00 -0.26 0.00 0.00 60.65 58.95 3hbx s ILE 37 Cb -0.16 -1.65 -0.11 0.00 1.25 0.00 0.00 42.46 41.79 3hbx s ILE 37 CO 0.46 -0.41 1.12 -2.65 0.24 0.00 0.00 174.94 173.69 3hbx n PRO 38 N 0.40 1.62 -0.29 0.37 -0.02 -1.26 -4.77 135.00 131.05 3hbx n PRO 38 Ca -0.14 0.57 -0.02 0.00 -2.02 0.00 0.00 63.50 61.90 3hbx n PRO 38 Cb 0.57 -2.14 0.11 0.00 -0.02 0.00 0.00 33.50 32.02 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 1.91 0.95 -0.87 -0.52 2.10 -1.99 -1.62 116.57 116.53 3hbx h LYS 39 Ca -0.45 -0.06 0.02 0.00 -2.00 0.00 0.00 60.65 58.17 3hbx h LYS 39 Cb 1.32 -0.21 -0.05 0.00 -0.90 0.00 0.00 32.23 32.39 3hbx h LYS 39 CO 0.59 0.63 0.57 1.05 -2.00 0.00 0.00 179.45 180.29 3hbx h GLU 40 N 0.98 1.09 -0.15 0.07 9.09 -1.99 -0.58 114.58 123.09 3hbx h GLU 40 Ca 0.33 -0.07 -0.04 0.00 0.05 0.00 0.00 59.36 59.63 3hbx h GLU 40 Cb 0.05 -0.25 -0.00 0.00 -1.65 0.00 0.00 28.75 26.90 3hbx h GLU 40 CO -0.13 0.72 -0.08 0.00 0.05 0.00 0.00 179.01 179.58 3hbx h ALA 41 N 1.48 0.22 -0.76 1.06 0.00 -1.70 -2.00 119.26 117.55 3hbx h ALA 41 Ca 0.33 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3hbx h ALA 41 Cb -0.05 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3hbx h ALA 41 CO -0.09 0.02 0.42 0.00 0.00 0.00 0.00 179.25 179.61 3hbx h ALA 42 N 0.67 0.97 -0.29 0.00 0.00 -1.08 -2.26 119.26 117.27 3hbx h ALA 42 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3hbx h ALA 42 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hbx h ALA 42 CO 0.02 0.47 0.19 -0.92 0.00 0.00 0.00 179.25 179.02 3hbx h TYR 43 N 1.05 0.36 -0.03 0.00 3.20 -1.07 -2.71 116.97 117.76 3hbx h TYR 43 Ca 0.27 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 3hbx h TYR 43 Cb 0.02 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3hbx h TYR 43 CO -0.00 0.23 0.01 0.37 -1.64 0.00 0.00 178.16 177.12 3hbx h GLN 44 N 0.39 0.05 -0.54 1.82 5.75 -1.03 -0.36 115.11 121.19 3hbx h GLN 44 Ca 0.11 -0.01 -0.08 0.00 -0.15 0.00 0.00 58.65 58.51 3hbx h GLN 44 Cb -0.04 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.48 3hbx h GLN 44 CO -0.02 0.27 0.01 0.82 -2.65 0.00 0.00 178.83 177.25 3hbx h ILE 45 N -0.18 1.26 -0.34 2.39 2.04 -1.46 0.71 117.51 121.93 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 0.24 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 3hbx h ILE 45 CO 0.00 0.39 -0.09 0.40 0.00 0.00 0.00 178.15 178.85 3hbx h ILE 46 N 0.82 1.28 -0.88 -0.67 2.04 -1.48 -2.13 117.51 116.48 3hbx h ILE 46 Ca 0.15 -1.15 0.01 0.00 1.00 0.00 0.00 64.86 64.87 3hbx h ILE 46 Cb 0.52 1.32 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 3hbx h ILE 46 CO 0.03 0.38 0.58 -1.13 0.00 0.00 0.00 178.15 178.00 3hbx h ASN 47 N 0.45 1.01 -0.23 1.72 -1.24 -0.87 -2.14 115.58 114.28 3hbx h ASN 47 Ca 0.09 -0.03 -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 -0.11 0.44 -1.29 0.00 0.00 177.43 177.23 3hbx h ASP 48 N 1.19 0.50 0.05 1.15 5.19 -0.68 -3.04 116.42 120.78 3hbx h ASP 48 Ca 0.32 -0.41 -0.07 0.00 -0.62 0.00 0.00 57.03 56.24 3hbx h ASP 48 Cb -0.14 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.22 3hbx h ASP 48 CO -0.07 0.80 -0.22 -0.08 -3.12 0.00 0.00 179.24 176.55 3hbx h GLU 49 N 0.20 0.31 0.00 3.56 4.81 -1.27 -1.97 114.58 120.21 3hbx h GLU 49 Ca 0.05 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3hbx h GLU 49 Cb 0.61 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3hbx h GLU 49 CO 0.03 0.52 0.00 -0.07 -0.73 0.00 0.00 179.01 178.76 3hbx h LEU 50 N 0.28 0.00 -1.31 1.64 4.07 -1.27 -2.00 115.31 116.71 3hbx h LEU 50 Ca 0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.01 3hbx h LEU 50 Cb 0.55 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.29 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 -1.29 -1.53 114.93 116.09 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 0.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.78 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 -2.71 0.38 -4.79 1.22 4.77 -0.75 -4.77 117.00 110.35 3hbx n LEU 52 Ca 0.01 0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 3hbx n LEU 52 Cb 0.24 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3hbx n LEU 52 CO 0.22 0.07 0.72 -1.81 -1.33 0.00 0.00 177.39 175.26 3hbx s ASP 53 N -2.35 5.25 0.76 -1.43 1.01 -0.58 -5.04 116.67 114.29 3hbx s ASP 53 Ca 0.34 1.79 -0.11 0.00 0.71 0.00 0.00 52.55 55.28 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 -1.53 1.08 -0.83 0.21 0.00 0.00 175.17 174.54 3hbx s GLY 54 N -3.20 1.66 -0.36 0.21 0.00 -1.26 -4.99 107.32 99.37 3hbx s GLY 54 Ca 0.62 0.07 -0.27 0.00 0.00 0.00 0.00 44.72 45.14 3hbx s GLY 54 CO 0.48 0.43 0.97 0.21 0.00 0.00 0.00 173.10 175.19 3hbx s ASN 55 N -3.65 6.74 0.29 1.64 3.84 -1.26 -4.93 114.94 117.61 3hbx s ASN 55 Ca 0.60 0.70 0.04 0.00 0.21 0.00 0.00 52.86 54.41 3hbx s ASN 55 Cb -0.15 -2.49 0.70 0.00 -0.55 0.00 0.00 41.25 38.75 3hbx s ASN 55 CO 0.55 -0.88 1.73 -0.65 -2.79 0.00 0.00 177.10 175.07 3hbx h PRO 56 N 8.41 0.52 0.00 0.43 0.11 -1.95 0.24 132.00 139.76 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 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3hbx h PRO 56 CO 1.00 0.35 -0.03 0.00 -0.21 0.00 0.00 178.00 179.11 3hbx h ARG 57 N 0.54 0.00 -0.02 1.05 2.47 -1.92 -1.03 114.38 115.46 3hbx h ARG 57 Ca 0.55 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.27 3hbx h ARG 57 Cb 0.95 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.27 3hbx h ARG 57 CO -0.45 0.03 -0.08 1.28 0.56 0.00 0.00 179.97 181.31 3hbx n LEU 58 N -3.46 2.57 -4.56 3.04 4.77 0.78 -4.84 117.00 115.30 3hbx n LEU 58 Ca -0.02 -0.96 -0.40 0.00 -0.03 0.00 0.00 56.01 54.60 3hbx n LEU 58 Cb 0.14 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3hbx n LEU 58 CO 0.25 0.44 1.36 0.21 -1.33 0.00 0.00 177.39 178.33 3hbx s ASN 59 N -1.82 6.20 0.00 -1.43 2.47 -0.39 -2.34 114.94 117.64 3hbx s ASN 59 Ca 0.23 -0.90 0.16 0.00 0.42 0.00 0.00 52.86 52.77 3hbx s ASN 59 Cb 0.17 -2.56 0.60 0.00 -1.45 0.00 0.00 41.25 38.01 3hbx s ASN 59 CO 0.30 -1.77 1.44 0.18 -3.72 0.00 0.00 177.10 173.53 3hbx n LEU 60 N 9.65 1.52 0.08 3.21 4.77 -0.49 -3.60 117.00 132.14 3hbx n LEU 60 Ca 0.21 -0.69 0.01 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 0.10 0.00 -1.33 0.00 0.00 177.39 177.18 3hbx h ALA 61 N 3.83 0.64 -2.64 -1.18 0.00 -1.81 -1.91 119.26 116.18 3hbx h ALA 61 Ca 0.00 -0.67 -0.57 0.00 0.00 0.00 0.00 54.91 53.67 3hbx h ALA 61 Cb 0.42 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3hbx h ALA 61 CO 0.00 0.81 -0.23 0.45 0.00 0.00 0.00 179.25 180.28 3hbx s SER 62 N -6.18 6.56 0.00 0.00 0.15 -1.24 -4.89 113.70 108.10 3hbx s SER 62 Ca 0.01 0.73 0.23 0.00 0.70 0.00 0.00 55.95 57.62 3hbx s SER 62 Cb 0.08 -2.15 0.18 0.00 -1.71 0.00 0.00 66.02 62.42 3hbx s SER 62 CO 0.78 0.03 1.19 0.49 1.20 0.00 0.00 173.24 176.92 3hbx n PHE 63 N 0.12 0.00 -2.75 3.44 3.01 -1.26 -4.78 117.46 115.24 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 -2.82 4.57 0.30 -4.37 1.01 -1.26 -4.40 120.40 113.44 3hbx s VAL 64 Ca 0.14 2.03 -0.30 0.00 0.00 0.00 0.00 61.98 63.85 3hbx s VAL 64 Cb 0.17 -4.30 -0.12 0.00 0.00 0.00 0.00 36.38 32.13 3hbx s VAL 64 CO 0.71 0.30 1.49 0.41 0.00 0.00 0.00 175.10 178.01 3hbx n THR 65 N 2.94 1.29 -0.13 3.92 -1.04 0.60 -4.92 114.28 116.93 3hbx n THR 65 Ca 0.02 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.71 3hbx n THR 65 Cb 0.49 -1.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 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 1.58 0.86 -3.70 12.58 -2.24 -1.26 -4.41 114.28 117.69 3hbx n THR 66 Ca 0.08 -0.87 -0.12 0.00 -2.27 0.00 0.00 64.05 60.87 3hbx n THR 66 Cb 0.36 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.06 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 -0.86 -0.58 0.14 4.78 -0.00 -1.26 -4.78 118.94 116.38 3hbx s TRP 67 Ca 0.00 1.32 0.03 0.00 -0.00 0.00 0.00 56.10 57.45 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 -0.05 -1.64 -0.00 0.00 0.00 176.95 174.96 3hbx s MET 68 N 0.76 1.00 0.47 5.86 -1.94 -1.26 -4.91 119.30 119.28 3hbx s MET 68 Ca -0.04 -1.44 -0.24 0.00 -1.71 0.00 0.00 55.69 52.26 3hbx s MET 68 Cb -0.05 -0.37 -0.07 0.00 2.01 0.00 0.00 34.83 36.35 3hbx s MET 68 CO -0.06 -0.02 1.36 -1.21 -0.01 0.00 0.00 175.02 175.08 3hbx s GLU 69 N -3.83 3.57 0.37 2.03 2.02 -1.26 -4.84 118.70 116.76 3hbx s GLU 69 Ca 0.17 2.25 0.11 0.00 0.02 0.00 0.00 54.97 57.52 3hbx s GLU 69 Cb 0.05 -2.53 0.90 0.00 0.10 0.00 0.00 34.13 32.65 3hbx s GLU 69 CO -0.00 -0.85 1.85 -1.35 0.02 0.00 0.00 175.26 174.93 3hbx h PRO 70 N 2.09 0.59 -0.44 0.39 0.11 -2.00 0.17 132.00 132.91 3hbx h PRO 70 Ca -0.50 -0.04 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 0.39 0.29 0.93 -0.21 0.00 0.00 178.00 180.00 3hbx h GLU 71 N 0.61 0.56 0.00 1.05 3.07 -2.01 -1.83 114.58 116.03 3hbx h GLU 71 Ca 0.48 -0.03 -0.19 0.00 -0.50 0.00 0.00 59.36 59.11 3hbx h GLU 71 Cb 0.90 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.66 3hbx h GLU 71 CO -0.22 0.37 -0.92 0.00 -1.40 0.00 0.00 179.01 176.84 3hbx h ASP 73 N 0.00 0.95 -0.01 0.00 5.19 -0.59 -1.99 116.42 119.97 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 1.63 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 40.91 3hbx h ASP 73 CO 0.12 0.67 0.00 0.11 -3.12 0.00 0.00 179.24 177.03 3hbx h LYS 74 N 1.11 0.01 -0.55 3.56 1.57 -1.35 -0.63 116.57 120.29 3hbx h LYS 74 Ca 0.32 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.18 3hbx h LYS 74 Cb -0.08 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.16 3hbx h LYS 74 CO -0.08 0.19 0.17 -0.07 -0.57 0.00 0.00 179.45 179.09 3hbx h LEU 75 N -0.17 0.12 -0.00 2.94 3.38 -1.43 0.26 115.31 120.41 3hbx h LEU 75 Ca 0.00 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hbx h LEU 75 Cb 0.18 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hbx h LEU 75 CO -0.00 0.09 -0.07 0.40 0.09 0.00 0.00 178.44 178.95 3hbx h ILE 76 N 0.33 0.82 -0.34 1.22 2.04 -1.20 -2.61 117.51 117.77 3hbx h ILE 76 Ca 0.28 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.09 3hbx h ILE 76 Cb 0.36 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 3hbx h ILE 76 CO -0.31 0.00 0.02 -0.03 0.00 0.00 0.00 178.15 177.82 3hbx h MET 77 N -0.12 0.53 0.00 2.37 4.05 -0.49 -1.58 114.93 119.69 3hbx h MET 77 Ca 0.03 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.34 3hbx h MET 77 Cb 0.16 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 3hbx h MET 77 CO -0.07 0.54 0.00 0.43 0.23 0.00 0.00 176.91 178.04 3hbx n SER 78 N -4.29 0.37 -0.49 1.39 7.64 0.84 -3.42 113.62 115.66 3hbx n SER 78 Ca 0.02 0.60 0.03 0.00 1.01 0.00 0.00 58.87 60.52 3hbx n SER 78 Cb 0.23 -0.67 0.04 0.00 -1.01 0.00 0.00 64.21 62.80 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 -1.91 0.60 0.15 6.43 3.41 -0.73 -4.76 113.62 116.82 3hbx n SER 79 Ca 0.02 -2.27 0.13 0.00 -0.26 0.00 0.00 58.87 56.49 3hbx n SER 79 Cb 0.19 -0.26 0.54 0.00 -0.26 0.00 0.00 64.21 64.41 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 5.41 0.00 -0.06 -1.33 -0.00 -1.34 -2.44 117.51 117.76 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 3.03 -4.52 2.16 6.94 -1.26 -4.83 115.26 114.44 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 -0.02 -0.04 0.00 -2.36 0.00 0.00 39.78 37.57 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 -1.96 3.29 -0.17 -3.83 1.02 -0.92 -5.01 119.74 112.17 3hbx s LYS 82 Ca 0.29 -0.33 -0.29 0.00 0.02 0.00 0.00 55.97 55.66 3hbx s LYS 82 Cb 0.20 -4.09 -0.03 0.00 -0.52 0.00 0.00 37.83 33.39 3hbx s LYS 82 CO 0.30 -1.61 1.52 1.21 -0.92 0.00 0.00 175.35 175.86 3hbx s ASN 83 N 3.07 6.60 0.30 2.83 2.47 -1.26 -2.82 114.94 126.13 3hbx s ASN 83 Ca 0.30 1.76 0.01 0.00 0.42 0.00 0.00 52.86 55.35 3hbx s ASN 83 Cb -0.13 -2.53 0.55 0.00 -1.45 0.00 0.00 41.25 37.69 3hbx s ASN 83 CO 0.18 -1.05 1.89 0.22 -3.72 0.00 0.00 177.10 174.62 3hbx h TYR 84 N 9.76 1.05 0.00 0.43 3.20 -1.20 -2.56 116.97 127.65 3hbx h TYR 84 Ca -0.33 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.57 3hbx h TYR 84 Cb 1.14 -0.34 0.00 0.00 1.54 0.00 0.00 36.73 39.07 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 -4.52 1.23 -1.96 1.81 3.14 -1.26 -3.97 118.33 112.80 3hbx n VAL 85 Ca 0.15 0.43 -0.42 0.00 -2.96 0.00 0.00 64.34 61.54 3hbx n VAL 85 Cb 0.25 -1.35 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 -1.87 4.23 -0.10 6.55 8.00 -0.97 -4.78 116.55 127.61 3hbx n ASP 86 Ca 0.01 -2.90 -0.07 0.00 0.71 0.00 0.00 54.79 52.54 3hbx n ASP 86 Cb 0.11 -1.64 0.00 0.00 -0.02 0.00 0.00 41.12 39.57 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 6.16 0.34 -0.64 -1.24 1.85 -1.85 -0.95 114.93 118.60 3hbx h MET 87 Ca 0.52 -0.02 -0.02 0.00 -0.61 0.00 0.00 59.70 59.57 3hbx h MET 87 Cb 0.67 -0.08 -0.03 0.00 0.43 0.00 0.00 31.60 32.59 3hbx h MET 87 CO 1.78 0.22 0.33 0.22 -0.40 0.00 0.00 176.91 179.06 3hbx h ASP 88 N 0.35 0.82 0.03 1.39 3.58 -1.91 -2.98 116.42 117.70 3hbx h ASP 88 Ca 0.14 -0.12 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 3hbx h ASP 88 Cb 0.06 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 3hbx h ASP 88 CO -0.10 0.71 -0.53 -0.33 -2.88 0.00 0.00 179.24 176.11 3hbx h GLU 89 N 0.88 0.54 -2.77 0.28 3.07 -1.84 -3.37 114.58 111.38 3hbx h GLU 89 Ca 0.22 -0.33 -0.61 0.00 -0.50 0.00 0.00 59.36 58.14 3hbx h GLU 89 Cb 0.08 0.03 -0.41 0.00 -0.84 0.00 0.00 28.75 27.61 3hbx h GLU 89 CO -0.03 0.93 -0.65 0.66 -1.40 0.00 0.00 179.01 178.52 3hbx n TYR 90 N -3.97 2.64 -0.24 4.33 4.01 -0.38 -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 0.59 -0.48 0.05 0.00 -0.31 0.00 0.00 39.34 39.18 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 5.12 0.95 -0.39 -0.72 0.11 -1.70 -2.89 132.00 132.48 3hbx h PRO 91 Ca 0.17 -0.12 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 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 0.69 0.73 -0.17 0.28 -0.21 0.00 0.00 178.00 179.32 3hbx h VAL 92 N 0.93 1.28 -0.82 3.15 2.07 -1.92 -1.61 116.25 119.32 3hbx h VAL 92 Ca 0.23 -1.30 0.09 0.00 0.82 0.00 0.00 66.70 66.54 3hbx h VAL 92 Cb 0.07 1.29 -0.07 0.00 -1.52 0.00 0.00 31.29 31.06 3hbx h VAL 92 CO -0.03 0.43 0.48 0.74 0.02 0.00 0.00 177.57 179.20 3hbx h THR 93 N 0.62 0.93 -0.60 2.57 2.02 -1.93 -0.62 112.91 115.89 3hbx h THR 93 Ca 0.09 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.89 3hbx h THR 93 Cb 0.72 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 3hbx h THR 93 CO 0.05 0.15 -0.02 0.74 0.37 0.00 0.00 175.52 176.81 3hbx h THR 94 N 0.81 1.27 -0.49 3.16 2.02 -1.29 -2.91 112.91 115.48 3hbx h THR 94 Ca 0.39 -1.18 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 3hbx h THR 94 Cb 0.32 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 3hbx h THR 94 CO -0.23 0.43 0.21 -0.33 0.37 0.00 0.00 175.52 175.97 3hbx h GLU 95 N 0.97 0.73 -0.66 6.66 5.08 -0.44 -2.26 114.58 124.67 3hbx h GLU 95 Ca 0.17 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.46 3hbx h GLU 95 Cb 0.59 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 3hbx h GLU 95 CO 0.04 0.64 0.43 -0.07 -1.00 0.00 0.00 179.01 179.05 3hbx h LEU 96 N 0.66 0.61 -0.46 1.33 3.38 -1.07 0.76 115.31 120.51 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 0.17 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 3hbx h LEU 96 CO -0.02 0.40 0.13 -0.61 0.09 0.00 0.00 178.44 178.44 3hbx h GLN 97 N 0.70 0.73 -0.63 1.13 -0.00 -1.25 -1.60 115.11 114.18 3hbx h GLN 97 Ca 0.28 -0.16 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 3hbx h GLN 97 Cb 0.21 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.56 3hbx h GLN 97 CO -0.08 0.70 0.30 -0.91 0.00 0.00 0.00 178.83 178.84 3hbx h ASN 98 N 0.62 0.83 -0.85 -0.69 2.35 -0.58 -1.93 115.58 115.32 3hbx h ASN 98 Ca 0.15 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.74 3hbx h ASN 98 Cb 0.29 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 3hbx h ASN 98 CO -0.00 0.73 0.41 0.03 -1.65 0.00 0.00 177.43 176.95 3hbx h ARG 99 N 0.87 1.23 -0.56 0.81 3.08 -0.75 -0.76 114.38 118.31 3hbx h ARG 99 Ca 0.22 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 3hbx h ARG 99 Cb 0.12 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3hbx h ARG 99 CO -0.03 0.94 0.31 0.00 -1.07 0.00 0.00 179.97 180.12 3hbx h VAL 101 N 0.75 1.01 -0.06 0.00 2.07 -0.86 0.23 116.25 119.39 3hbx h VAL 101 Ca 0.20 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3hbx h VAL 101 Cb 0.04 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3hbx h VAL 101 CO -0.03 0.07 -0.01 0.78 0.02 0.00 0.00 177.57 178.40 3hbx h ASN 102 N 0.41 -0.05 -0.65 0.57 2.35 -0.80 0.54 115.58 117.95 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 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 3hbx h ASN 102 CO -0.08 -0.01 0.09 0.24 -1.65 0.00 0.00 177.43 176.02 3hbx h MET 103 N 0.01 1.09 -0.26 0.81 2.86 -0.58 -1.00 114.93 117.86 3hbx h MET 103 Ca 0.03 -0.29 -0.15 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 1.00 -0.46 0.82 1.06 0.00 0.00 176.91 179.27 3hbx h ILE 104 N 1.02 1.30 -0.10 -1.22 2.04 -0.88 -1.31 117.51 118.36 3hbx h ILE 104 Ca 0.20 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.40 3hbx h ILE 104 Cb 0.45 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3hbx h ILE 104 CO 0.01 0.53 0.06 0.00 0.00 0.00 0.00 178.15 178.76 3hbx h ALA 105 N 0.95 0.13 -0.58 1.87 0.00 -0.40 -1.32 119.26 119.90 3hbx h ALA 105 Ca 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3hbx h ALA 105 Cb 1.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3hbx h ALA 105 CO 0.09 -0.38 0.19 0.45 0.00 0.00 0.00 179.25 179.61 3hbx h HIS 106 N 0.12 0.89 -0.22 0.00 3.86 -1.18 -1.36 115.15 117.26 3hbx h HIS 106 Ca 0.04 -0.07 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3hbx h HIS 106 Cb 0.00 -0.27 -0.01 0.00 1.06 0.00 0.00 27.41 28.20 3hbx h HIS 106 CO -0.07 0.71 0.14 1.25 0.86 0.00 0.00 177.93 180.83 3hbx h LEU 107 N 0.85 0.20 -2.46 2.43 5.85 -0.69 0.45 115.31 121.94 3hbx h LEU 107 Ca 0.19 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3hbx h LEU 107 Cb 0.23 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.21 3hbx h LEU 107 CO -0.01 0.14 0.00 0.49 -0.34 0.00 0.00 178.44 178.72 3hbx n PHE 108 N -4.50 1.10 -3.01 1.25 3.72 -0.55 -4.91 117.46 110.56 3hbx n PHE 108 Ca 0.01 -0.45 -0.22 0.00 -0.05 0.00 0.00 57.45 56.73 3hbx n PHE 108 Cb 0.12 -0.16 0.04 0.00 -0.94 0.00 0.00 39.48 38.53 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 0.92 -6.08 -4.73 4.37 3.02 0.15 -2.36 115.26 110.54 3hbx n ASN 109 Ca 0.20 -0.29 -0.37 0.00 -0.03 0.00 0.00 54.58 54.10 3hbx n ASN 109 Cb 0.68 -4.89 0.07 0.00 -0.61 0.00 0.00 39.78 35.03 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 -3.18 2.38 -1.07 5.41 0.00 -0.58 -4.30 121.76 120.42 3hbx s ALA 110 Ca 0.30 1.18 -0.23 0.00 0.00 0.00 0.00 51.96 53.21 3hbx s ALA 110 Cb -0.13 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.38 3hbx s ALA 110 CO 0.38 -1.58 1.92 -2.14 0.00 0.00 0.00 175.76 174.34 3hbx s PRO 111 N -3.40 2.61 -0.07 0.00 0.02 -1.26 -4.84 135.00 128.05 3hbx s PRO 111 Ca 0.82 -0.84 0.03 0.00 0.02 0.00 0.00 61.00 61.04 3hbx s PRO 111 Cb -0.36 -5.18 0.00 0.00 0.02 0.00 0.00 34.50 28.98 3hbx s PRO 111 CO 0.39 -3.62 -0.17 -0.51 -0.33 0.00 0.00 177.00 172.76 3hbx s LEU 112 N 10.20 1.85 0.63 -5.54 1.43 -1.26 -4.98 118.68 121.02 3hbx s LEU 112 Ca 0.68 -0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3hbx s LEU 112 Cb -0.03 -1.04 -0.02 0.00 0.03 0.00 0.00 46.19 45.12 3hbx s LEU 112 CO 0.07 0.11 1.04 -0.70 0.23 0.00 0.00 176.35 177.09 3hbx s GLU 113 N 0.39 3.32 0.02 1.70 2.12 -1.26 -4.95 118.70 120.04 3hbx s GLU 113 Ca -0.13 0.93 -0.35 0.00 0.36 0.00 0.00 54.97 55.79 3hbx s GLU 113 Cb -0.15 -2.04 -0.13 0.00 0.26 0.00 0.00 34.13 32.06 3hbx s GLU 113 CO 0.05 -0.79 1.71 0.39 -0.54 0.00 0.00 175.26 176.07 3hbx n GLU 114 N -2.65 2.03 -1.15 4.30 -0.58 -1.26 -1.22 120.64 120.11 3hbx n GLU 114 Ca 0.07 0.74 -0.05 0.00 -0.42 0.00 0.00 57.16 57.50 3hbx n GLU 114 Cb 0.54 -2.53 -0.02 0.00 -0.57 0.00 0.00 31.44 28.86 3hbx n GLU 114 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hbx n ALA 115 N 4.90 -0.08 -1.96 0.62 0.00 -1.26 -5.01 120.51 117.72 3hbx n ALA 115 Ca 0.20 0.08 -0.37 0.00 0.00 0.00 0.00 53.44 53.35 3hbx n ALA 115 Cb 0.27 -0.94 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -1.95 4.44 -0.12 0.00 2.12 -0.36 -5.03 118.70 117.81 3hbx s GLU 116 Ca 0.00 1.10 -0.28 0.00 0.36 0.00 0.00 54.97 56.15 3hbx s GLU 116 Cb 0.00 -2.93 -0.01 0.00 0.26 0.00 0.00 34.13 31.44 3hbx s GLU 116 CO 0.00 0.39 0.95 0.99 -0.54 0.00 0.00 175.26 177.05 3hbx s THR 117 N -1.48 4.82 0.73 -1.70 2.01 -1.26 -4.88 115.64 113.89 3hbx s THR 117 Ca 0.44 1.92 -0.11 0.00 0.31 0.00 0.00 61.69 64.25 3hbx s THR 117 Cb -0.19 -4.26 0.03 0.00 0.01 0.00 0.00 72.50 68.09 3hbx s THR 117 CO 0.23 0.02 1.07 0.00 -0.69 0.00 0.00 174.62 175.26 3hbx s ALA 118 N 1.97 2.49 -0.35 7.40 0.00 -1.26 -5.03 121.76 126.98 3hbx s ALA 118 Ca 0.45 0.08 -0.10 0.00 0.00 0.00 0.00 51.96 52.39 3hbx s ALA 118 Cb -0.18 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.77 3hbx s ALA 118 CO 0.17 -1.45 0.18 0.08 0.00 0.00 0.00 175.76 174.74 3hbx s VAL 119 N -3.03 4.57 0.00 0.00 1.01 -1.26 -4.89 120.40 116.80 3hbx s VAL 119 Ca 0.59 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.88 3hbx s VAL 119 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 3hbx s VAL 119 CO 0.55 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.15 3hbx n GLY 120 N 4.99 0.80 3.06 4.51 0.00 -1.26 -0.63 105.19 116.65 3hbx n GLY 120 Ca -0.13 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.74 -4.98 120.40 107.38 3hbx s VAL 121 Ca 0.00 -0.84 -0.26 0.00 -1.81 0.00 0.00 61.98 59.07 3hbx s VAL 121 Cb 0.00 -0.43 -0.09 0.00 0.56 0.00 0.00 36.38 36.43 3hbx s VAL 121 CO 0.00 -0.46 0.86 -0.83 -0.31 0.00 0.00 175.10 174.36 3hbx s GLY 122 N -1.51 2.94 0.40 2.32 0.00 -1.26 -1.99 107.32 108.22 3hbx s GLY 122 Ca -0.14 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.08 3hbx s GLY 122 CO -0.00 0.96 0.14 -0.51 0.00 0.00 0.00 173.10 173.68 3hbx s THR 123 N -1.28 0.57 0.26 0.90 -4.23 0.13 -4.95 115.64 107.05 3hbx s THR 123 Ca 0.41 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.94 3hbx s THR 123 Cb -0.23 -2.36 0.02 0.00 1.34 0.00 0.00 72.50 71.28 3hbx s THR 123 CO 0.27 0.00 1.66 0.58 -0.54 0.00 0.00 174.62 176.59 3hbx h VAL 124 N 1.80 1.30 -1.78 2.29 2.07 -1.83 0.32 116.25 120.42 3hbx h VAL 124 Ca -0.35 -1.51 0.08 0.00 0.82 0.00 0.00 66.70 65.74 3hbx h VAL 124 Cb 1.27 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 3hbx h VAL 124 CO 0.56 0.47 0.24 0.61 0.02 0.00 0.00 177.57 179.46 3hbx n GLY 125 N -0.14 0.88 0.21 2.17 0.00 -1.26 -0.62 105.19 106.44 3hbx n GLY 125 Ca -0.01 -0.97 0.06 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 0.68 0.00 0.00 1.61 0.02 -1.86 -2.53 113.55 111.48 3hbx h SER 126 Ca -0.09 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3hbx h SER 126 Cb 0.41 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.91 3hbx h SER 126 CO 0.12 0.26 -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 0.50 113.55 115.30 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 0.51 0.31 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 3hbx h SER 127 CO 0.03 -0.33 -0.35 -0.08 -0.53 0.00 0.00 176.83 175.58 3hbx h GLU 128 N -0.40 0.43 -0.69 2.24 4.81 -1.94 -2.65 114.58 116.38 3hbx h GLU 128 Ca 0.06 -0.19 -0.05 0.00 -0.13 0.00 0.00 59.36 59.05 3hbx h GLU 128 Cb 0.48 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3hbx h GLU 128 CO -0.22 0.73 0.24 0.00 -0.73 0.00 0.00 179.01 179.02 3hbx h ALA 129 N 1.26 0.90 -0.66 2.92 0.00 -0.94 -1.55 119.26 121.19 3hbx h ALA 129 Ca 0.04 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3hbx h ALA 129 Cb 0.79 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3hbx h ALA 129 CO 0.06 0.56 0.13 0.82 0.00 0.00 0.00 179.25 180.82 3hbx h ILE 130 N 1.00 1.26 0.00 0.00 2.04 0.14 -0.89 117.51 121.07 3hbx h ILE 130 Ca 0.23 -1.00 -0.12 0.00 1.00 0.00 0.00 64.86 64.96 3hbx h ILE 130 Cb 0.27 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3hbx h ILE 130 CO -0.01 0.38 -0.58 0.24 0.00 0.00 0.00 178.15 178.18 3hbx h MET 131 N 1.01 0.00 -0.16 2.37 2.86 -1.22 0.23 114.93 120.02 3hbx h MET 131 Ca 0.20 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.69 3hbx h MET 131 Cb 0.41 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.08 3hbx h MET 131 CO 0.01 0.58 -0.52 -0.07 1.06 0.00 0.00 176.91 177.97 3hbx h LEU 132 N 0.00 0.73 -0.62 1.22 3.38 -1.12 -1.14 115.31 117.76 3hbx h LEU 132 Ca -0.01 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.36 3hbx h LEU 132 Cb 1.08 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3hbx h LEU 132 CO 0.08 1.20 0.37 0.00 0.09 0.00 0.00 178.44 180.18 3hbx h ALA 133 N 0.54 0.80 -0.34 1.53 0.00 -0.89 -1.33 119.26 119.58 3hbx h ALA 133 Ca -0.02 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3hbx h ALA 133 Cb 1.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3hbx h ALA 133 CO 0.11 0.28 0.17 0.78 0.00 0.00 0.00 179.25 180.59 3hbx h GLY 134 N 0.85 0.51 0.62 0.00 0.00 -0.53 -1.59 103.07 102.94 3hbx h GLY 134 Ca 0.22 -0.25 0.06 0.00 0.00 0.00 0.00 47.33 47.37 3hbx h GLY 134 CO -0.04 0.23 0.29 1.41 0.00 0.00 0.00 176.54 178.43 3hbx h LEU 135 N 0.41 0.39 -0.61 3.11 3.38 -0.94 0.17 115.31 121.23 3hbx h LEU 135 Ca 0.12 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3hbx h LEU 135 Cb 0.10 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hbx h LEU 135 CO -0.02 0.25 0.38 0.00 0.09 0.00 0.00 178.44 179.15 3hbx h ALA 136 N 1.33 0.77 0.05 1.53 0.00 -1.02 -0.01 119.26 121.92 3hbx h ALA 136 Ca 0.27 -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 17.76 3hbx h ALA 136 CO -0.20 0.23 -0.03 0.74 0.00 0.00 0.00 179.25 179.99 3hbx h PHE 137 N 0.82 -0.07 0.02 0.00 0.04 -0.61 -0.44 116.94 116.71 3hbx h PHE 137 Ca 0.22 -0.00 0.01 0.00 2.80 0.00 0.00 57.97 61.00 3hbx h PHE 137 Cb -0.06 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3hbx h PHE 137 CO -0.03 0.09 -0.09 -0.22 -0.60 0.00 0.00 178.31 177.46 3hbx h LYS 138 N -0.20 -0.16 -0.21 1.51 3.64 -0.46 -0.27 116.57 120.41 3hbx h LYS 138 Ca -0.01 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3hbx h LYS 138 Cb 0.18 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3hbx h LYS 138 CO 0.01 -0.11 0.11 -0.09 -2.27 0.00 0.00 179.45 177.11 3hbx h ARG 139 N -0.17 0.29 -0.59 1.90 9.65 -0.99 0.21 114.38 124.68 3hbx h ARG 139 Ca 0.03 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.91 3hbx h ARG 139 Cb 0.20 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.69 3hbx h ARG 139 CO -0.08 0.28 0.39 -0.22 2.80 0.00 0.00 179.97 183.14 3hbx h LYS 140 N 0.23 0.66 -0.10 0.20 3.64 -0.92 0.12 116.57 120.40 3hbx h LYS 140 Ca 0.07 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.28 3hbx h LYS 140 Cb 0.07 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3hbx h LYS 140 CO -0.01 0.44 -0.44 2.35 -2.27 0.00 0.00 179.45 179.51 3hbx h TRP 141 N 0.68 0.64 -0.24 1.91 7.01 -0.48 -2.54 115.95 122.94 3hbx h TRP 141 Ca 0.24 -0.28 0.03 0.00 2.11 0.00 0.00 58.89 60.99 3hbx h TRP 141 Cb 0.11 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 27.03 3hbx h TRP 141 CO -0.00 1.04 0.05 1.96 -2.79 0.00 0.00 178.44 178.70 3hbx h GLN 142 N 0.06 0.14 -0.29 2.65 4.20 0.07 -1.35 115.11 120.59 3hbx h GLN 142 Ca -0.03 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.71 3hbx h GLN 142 Cb 1.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 3hbx h GLN 142 CO 0.09 0.09 0.09 -0.91 -0.67 0.00 0.00 178.83 177.52 3hbx h ASN 143 N 0.14 0.08 -0.74 1.46 2.35 -1.04 0.69 115.58 118.53 3hbx h ASN 143 Ca 0.11 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.91 3hbx h ASN 143 Cb 0.11 0.03 -0.04 0.00 0.05 0.00 0.00 38.32 38.47 3hbx h ASN 143 CO -0.14 0.08 0.48 0.50 -1.65 0.00 0.00 177.43 176.70 3hbx h LYS 144 N 0.21 0.94 -0.13 0.81 3.64 -1.18 -1.70 116.57 119.16 3hbx h LYS 144 Ca 0.13 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.36 3hbx h LYS 144 Cb 0.11 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.72 3hbx h LYS 144 CO -0.15 0.62 -0.28 0.00 -2.27 0.00 0.00 179.45 177.38 3hbx h ARG 145 N 0.97 0.42 -0.30 1.90 2.47 -0.92 -2.93 114.38 115.98 3hbx h ARG 145 Ca 0.28 -0.28 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 3hbx h ARG 145 Cb -0.07 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 3hbx h ARG 145 CO -0.07 0.88 0.20 0.87 0.56 0.00 0.00 179.97 182.41 3hbx h LYS 146 N 0.02 0.23 0.00 0.04 1.57 -0.72 0.58 116.57 118.29 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 0.87 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.12 3hbx h LYS 146 CO 0.06 0.15 -0.27 0.00 -0.57 0.00 0.00 179.45 178.83 3hbx h ALA 147 N 1.84 1.00 -0.26 3.86 0.00 -1.21 -2.59 119.26 121.90 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 0.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3hbx h ALA 147 CO -0.02 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.95 3hbx n GLU 148 N -3.42 2.38 -0.13 0.00 1.02 0.06 -4.93 120.64 115.62 3hbx n GLU 148 Ca 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 3hbx n GLU 148 Cb 0.46 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 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 1.43 2.40 3.76 0.62 0.00 -0.38 -5.00 105.19 108.01 3hbx n GLY 149 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3hbx n GLY 149 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hbx s LYS 150 N -0.02 2.21 0.58 1.61 1.02 -0.42 -4.91 119.74 119.81 3hbx s LYS 150 Ca 0.00 1.27 -0.17 0.00 0.02 0.00 0.00 55.97 57.09 3hbx s LYS 150 Cb 0.00 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.38 3hbx s LYS 150 CO 0.00 -1.69 1.07 -2.14 -0.92 0.00 0.00 175.35 171.67 3hbx s PRO 151 N -4.69 3.33 -0.12 -1.68 0.02 -1.26 -4.16 135.00 126.44 3hbx s PRO 151 Ca 0.63 1.33 0.21 0.00 0.02 0.00 0.00 61.00 63.19 3hbx s PRO 151 Cb -0.19 -2.03 0.45 0.00 0.02 0.00 0.00 34.50 32.75 3hbx s PRO 151 CO 0.53 -0.81 1.17 1.33 -0.33 0.00 0.00 177.00 178.88 3hbx n VAL 152 N -1.77 0.86 1.01 3.83 0.24 -1.26 -4.86 118.33 116.38 3hbx n VAL 152 Ca 0.10 -2.07 0.11 0.00 -2.04 0.00 0.00 64.34 60.43 3hbx n VAL 152 Cb 0.52 0.70 -0.01 0.00 -1.47 0.00 0.00 33.84 33.59 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 -0.12 1.69 -3.13 -1.34 5.75 -1.26 -4.61 116.55 113.52 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 1.65 -2.05 0.11 5.02 -1.26 -5.10 118.16 116.06 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 -1.84 0.02 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.62 3.17 0.13 1.97 0.02 -1.26 -4.77 135.00 131.64 3hbx s PRO 155 Ca 0.42 1.43 -0.07 0.00 0.02 0.00 0.00 61.00 62.79 3hbx s PRO 155 Cb 0.31 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.82 3hbx s PRO 155 CO -0.10 -0.96 0.21 0.54 -0.33 0.00 0.00 177.00 176.36 3hbx s ASN 156 N -2.30 0.12 0.02 2.53 2.20 0.26 -0.92 114.94 116.87 3hbx s ASN 156 Ca 0.68 -0.86 0.06 0.00 -0.94 0.00 0.00 52.86 51.80 3hbx s ASN 156 Cb -0.20 0.38 -0.02 0.00 -2.00 0.00 0.00 41.25 39.40 3hbx s ASN 156 CO 0.34 -0.81 -0.17 -0.63 -2.94 0.00 0.00 177.10 172.89 3hbx s ILE 157 N -3.94 1.34 -0.22 0.54 1.01 0.53 -0.59 121.20 119.87 3hbx s ILE 157 Ca 0.14 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 3hbx s ILE 157 Cb 0.05 -1.16 -0.01 0.00 0.01 0.00 0.00 42.46 41.34 3hbx s ILE 157 CO -0.04 0.19 -0.04 -0.69 0.00 0.00 0.00 174.94 174.37 3hbx s VAL 158 N -0.67 3.42 0.32 2.92 1.01 -0.99 -0.70 120.40 125.71 3hbx s VAL 158 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3hbx s VAL 158 Cb -0.08 -2.56 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3hbx s VAL 158 CO 0.01 0.42 0.35 0.42 0.00 0.00 0.00 175.10 176.30 3hbx s THR 159 N 1.45 0.00 0.62 3.92 -4.23 -0.72 -1.00 115.64 115.68 3hbx s THR 159 Ca 0.05 -1.81 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 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 -0.03 0.00 0.94 -0.83 -0.54 0.00 0.00 174.62 174.16 3hbx s GLY 160 N -3.28 1.63 0.19 3.99 0.00 -1.26 0.06 107.32 108.64 3hbx s GLY 160 Ca 0.36 -0.73 0.21 0.00 0.00 0.00 0.00 44.72 44.56 3hbx s GLY 160 CO 0.22 -0.41 1.64 0.00 0.00 0.00 0.00 173.10 174.55 3hbx n ALA 161 N -2.69 1.67 1.93 3.20 0.00 0.08 -1.74 120.51 122.96 3hbx n ALA 161 Ca 0.05 0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.59 3hbx n ALA 161 Cb 0.58 -1.35 0.29 0.00 0.00 0.00 0.00 19.45 18.97 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 -2.04 0.00 -4.76 0.00 6.94 -1.26 -4.85 115.26 109.30 3hbx n ASN 162 Ca 0.02 -1.63 -0.41 0.00 -0.02 0.00 0.00 54.58 52.55 3hbx n ASN 162 Cb 0.21 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.66 2.42 -2.75 3.53 3.14 -0.71 -4.74 118.33 118.57 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 -1.84 -0.06 0.00 -1.06 0.00 0.00 33.84 30.91 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 -2.26 4.34 0.57 1.45 -0.44 -1.26 -4.92 119.66 117.15 3hbx s GLN 164 Ca 0.58 1.27 0.34 0.00 -2.50 0.00 0.00 55.36 55.05 3hbx s GLN 164 Cb -0.47 -2.47 1.43 0.00 -1.64 0.00 0.00 33.01 29.85 3hbx s GLN 164 CO 0.60 0.05 1.70 0.28 0.50 0.00 0.00 175.29 178.43 3hbx h VAL 165 N 2.21 0.26 0.00 1.34 2.07 -2.00 -1.23 116.25 118.90 3hbx h VAL 165 Ca -0.48 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3hbx h VAL 165 Cb 1.19 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3hbx h VAL 165 CO 0.63 0.00 -0.07 0.00 0.02 0.00 0.00 177.57 178.15 3hbx h TRP 167 N 0.00 0.00 -0.16 0.00 4.06 -1.60 -2.18 115.95 116.08 3hbx h TRP 167 Ca -0.00 0.00 -0.20 0.00 2.06 0.00 0.00 58.89 60.75 3hbx h TRP 167 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3hbx h TRP 167 CO 0.00 0.64 -0.72 0.93 -3.56 0.00 0.00 178.44 175.74 3hbx h GLU 168 N 0.00 0.69 0.17 0.49 5.08 -1.23 -1.46 114.58 118.32 3hbx h GLU 168 Ca -0.01 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 3hbx h GLU 168 Cb 1.42 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.77 3hbx h GLU 168 CO 0.08 1.15 -0.09 0.87 -1.00 0.00 0.00 179.01 180.03 3hbx h LYS 169 N 0.49 -0.23 -0.13 2.33 1.57 -1.17 -1.53 116.57 117.90 3hbx h LYS 169 Ca -0.03 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.80 3hbx h LYS 169 Cb 1.32 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.64 3hbx h LYS 169 CO 0.14 -0.15 -0.12 0.35 -0.57 0.00 0.00 179.45 179.10 3hbx h PHE 170 N -0.24 -0.29 -0.46 -1.35 3.57 -1.38 0.26 116.94 117.05 3hbx h PHE 170 Ca -0.02 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.57 3hbx h PHE 170 Cb 0.18 0.15 -0.06 0.00 2.79 0.00 0.00 35.95 39.01 3hbx h PHE 170 CO -0.07 -0.18 0.10 0.00 -2.23 0.00 0.00 178.31 175.94 3hbx h ALA 171 N 0.95 0.52 -0.15 2.41 0.00 -1.14 0.54 119.26 122.40 3hbx h ALA 171 Ca 0.09 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 3hbx h ALA 171 Cb 0.26 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hbx h ALA 171 CO -0.21 -0.30 -0.29 -0.09 0.00 0.00 0.00 179.25 178.36 3hbx h ARG 172 N 0.24 0.45 0.01 0.00 2.43 -0.91 0.20 114.38 116.80 3hbx h ARG 172 Ca 0.23 -0.29 -0.20 0.00 -0.81 0.00 0.00 59.98 58.90 3hbx h ARG 172 Cb 0.29 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 3hbx h ARG 172 CO -0.29 0.89 -0.89 1.88 -1.51 0.00 0.00 179.97 180.05 3hbx h TYR 173 N 0.07 0.32 -0.50 2.20 0.05 -0.81 -3.20 116.97 115.09 3hbx h TYR 173 Ca 0.01 -0.18 0.00 0.00 0.05 0.00 0.00 58.73 58.61 3hbx h TYR 173 Cb 0.88 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.58 3hbx h TYR 173 CO 0.10 1.00 0.00 1.19 -1.05 0.00 0.00 178.16 179.40 3hbx n PHE 174 N -3.65 1.46 -3.77 4.88 3.72 0.17 -4.98 117.46 115.28 3hbx n PHE 174 Ca -0.04 -0.71 -0.30 0.00 -0.05 0.00 0.00 57.45 56.35 3hbx n PHE 174 Cb 0.82 -0.33 0.02 0.00 -0.94 0.00 0.00 39.48 39.05 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 -1.94 -4.90 -1.08 1.02 -0.68 -4.97 120.64 108.59 3hbx n GLU 175 Ca 0.24 0.43 -0.27 0.00 -0.02 0.00 0.00 57.16 57.54 3hbx n GLU 175 Cb 0.95 -4.21 -0.15 0.00 -0.02 0.00 0.00 31.44 28.01 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 -3.61 1.76 0.06 2.62 1.01 0.62 -4.71 120.40 118.14 3hbx s VAL 176 Ca 0.32 -1.09 -0.28 0.00 0.00 0.00 0.00 61.98 60.94 3hbx s VAL 176 Cb -0.12 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 3hbx s VAL 176 CO 0.87 0.37 0.88 -0.70 0.00 0.00 0.00 175.10 176.52 3hbx s GLU 177 N -0.85 4.59 -0.44 2.72 2.12 -0.09 -4.40 118.70 122.35 3hbx s GLU 177 Ca 0.09 1.28 -0.14 0.00 0.36 0.00 0.00 54.97 56.55 3hbx s GLU 177 Cb -0.09 -3.39 0.05 0.00 0.26 0.00 0.00 34.13 30.96 3hbx s GLU 177 CO 0.00 0.18 0.34 -1.17 -0.54 0.00 0.00 175.26 174.07 3hbx s LEU 178 N 0.22 5.37 -0.41 2.70 2.96 -1.26 -0.35 118.68 127.91 3hbx s LEU 178 Ca 0.44 -1.19 -0.18 0.00 -0.22 0.00 0.00 54.13 52.98 3hbx s LEU 178 Cb -0.22 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.34 3hbx s LEU 178 CO 0.26 -0.56 0.51 -0.54 -1.32 0.00 0.00 176.35 174.71 3hbx s LYS 179 N 1.63 3.25 -0.15 1.98 1.02 0.12 -4.97 119.74 122.62 3hbx s LYS 179 Ca 0.04 -0.53 -0.06 0.00 0.02 0.00 0.00 55.97 55.45 3hbx s LYS 179 Cb -0.22 -3.93 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 3hbx s LYS 179 CO 0.07 -0.86 0.04 -1.21 -0.92 0.00 0.00 175.35 172.47 3hbx s GLU 180 N 2.40 3.67 -0.34 1.68 2.02 -1.26 -1.76 118.70 125.11 3hbx s GLU 180 Ca 0.17 -0.36 -0.25 0.00 0.02 0.00 0.00 54.97 54.54 3hbx s GLU 180 Cb -0.16 -3.08 0.01 0.00 0.10 0.00 0.00 34.13 31.00 3hbx s GLU 180 CO 0.15 0.42 0.89 0.08 0.02 0.00 0.00 175.26 176.83 3hbx s VAL 181 N -0.06 4.66 0.70 2.63 1.01 0.11 -4.81 120.40 124.63 3hbx s VAL 181 Ca 0.06 1.27 -0.14 0.00 0.00 0.00 0.00 61.98 63.17 3hbx s VAL 181 Cb -0.12 -4.27 0.02 0.00 0.00 0.00 0.00 36.38 32.00 3hbx s VAL 181 CO 0.01 -0.41 1.12 -0.54 0.00 0.00 0.00 175.10 175.28 3hbx s LYS 182 N 3.29 2.54 0.23 2.72 1.02 -1.26 -0.74 119.74 127.55 3hbx s LYS 182 Ca 0.37 1.42 -0.11 0.00 0.02 0.00 0.00 55.97 57.68 3hbx s LYS 182 Cb -0.13 -1.91 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 3hbx s LYS 182 CO 0.16 -1.46 0.57 -0.51 -0.92 0.00 0.00 175.35 173.19 3hbx s LEU 183 N -5.13 4.17 0.23 3.17 1.02 -0.59 -4.76 118.68 116.79 3hbx s LEU 183 Ca 0.67 0.98 0.09 0.00 0.02 0.00 0.00 54.13 55.90 3hbx s LEU 183 Cb -0.21 -3.69 -0.04 0.00 0.02 0.00 0.00 46.19 42.26 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 -2.28 4.48 0.11 2.29 0.01 -0.94 0.12 113.70 117.50 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 -0.83 -0.11 0.00 0.21 0.00 0.00 66.02 65.18 3hbx s SER 184 CO 0.20 0.04 1.83 1.21 0.41 0.00 0.00 173.24 176.94 3hbx n GLU 185 N -0.57 2.73 -0.84 12.44 2.13 -1.26 -0.70 120.64 134.57 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 29.40 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 0.95 2.64 8.31 0.00 -1.26 -4.97 105.19 115.07 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 -3.69 1.44 -1.50 1.61 5.04 0.12 -5.00 117.35 115.37 3hbx s TYR 187 Ca 0.00 -1.88 0.16 0.00 -2.44 0.00 0.00 57.07 52.90 3hbx s TYR 187 Cb 0.00 -1.51 0.36 0.00 0.35 0.00 0.00 41.96 41.16 3hbx s TYR 187 CO 0.00 -0.83 1.28 0.66 -1.34 0.00 0.00 175.55 175.32 3hbx n TYR 188 N 4.21 0.50 -4.20 4.97 4.01 -1.26 -2.21 117.16 123.19 3hbx n TYR 188 Ca 0.05 -0.38 -0.28 0.00 -0.16 0.00 0.00 57.90 57.13 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 1.60 -0.04 -0.72 -7.23 -1.26 -4.75 120.40 106.92 3hbx s VAL 189 Ca 0.30 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 3hbx s VAL 189 Cb 0.16 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.80 3hbx s VAL 189 CO 0.22 0.00 1.05 -0.32 -0.31 0.00 0.00 175.10 175.74 3hbx s MET 190 N -4.10 4.46 -0.33 4.82 1.75 -1.26 -4.89 119.30 119.75 3hbx s MET 190 Ca 0.26 1.50 -0.29 0.00 -1.25 0.00 0.00 55.69 55.91 3hbx s MET 190 Cb -0.00 -3.49 0.01 0.00 2.84 0.00 0.00 34.83 34.19 3hbx s MET 190 CO 0.16 -0.23 1.23 0.34 -0.65 0.00 0.00 175.02 175.87 3hbx s ASP 191 N 1.12 6.72 0.24 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 0.46 0.00 -0.30 0.00 0.00 42.92 40.33 3hbx s ASP 191 CO 0.24 -1.07 1.71 -0.65 -0.17 0.00 0.00 175.17 175.23 3hbx h PRO 192 N 9.05 0.35 0.68 4.34 0.11 -1.94 -1.62 132.00 142.97 3hbx h PRO 192 Ca -0.24 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.81 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 1.05 0.23 -0.35 0.37 -0.21 0.00 0.00 178.00 179.09 3hbx h GLN 193 N 0.36 -0.91 -0.58 1.05 5.75 -1.94 -1.18 115.11 117.66 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 0.21 -0.03 0.00 1.07 0.00 0.00 27.48 29.40 3hbx h GLN 193 CO -0.45 -0.61 0.39 1.96 -2.65 0.00 0.00 178.83 177.47 3hbx h GLN 194 N -0.95 0.39 0.15 1.69 4.20 -1.90 -1.83 115.11 116.85 3hbx h GLN 194 Ca -0.09 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3hbx h GLN 194 Cb 0.74 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.43 3hbx h GLN 194 CO 0.14 0.26 -0.07 0.00 -0.67 0.00 0.00 178.83 178.48 3hbx h ALA 195 N 1.70 -0.20 -0.23 3.87 0.00 -0.89 -2.71 119.26 120.82 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 0.52 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hbx h ALA 195 CO -0.07 -0.48 0.15 0.28 0.00 0.00 0.00 179.25 179.13 3hbx h VAL 196 N -0.46 1.06 0.00 0.00 2.07 -0.66 -1.36 116.25 116.90 3hbx h VAL 196 Ca -0.02 -0.11 -0.05 0.00 0.82 0.00 0.00 66.70 67.34 3hbx h VAL 196 Cb 0.36 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hbx h VAL 196 CO 0.03 0.06 -0.26 0.44 0.02 0.00 0.00 177.57 177.86 3hbx h ASP 197 N 0.31 0.00 1.75 0.57 3.32 -1.21 -2.82 116.42 118.34 3hbx h ASP 197 Ca 0.08 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.11 3hbx h ASP 197 Cb -0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3hbx h ASP 197 CO -0.02 0.26 -0.25 0.24 -1.72 0.00 0.00 179.24 177.75 3hbx h MET 198 N 0.00 0.00 -6.60 3.56 2.86 -0.92 -3.46 114.93 110.37 3hbx h MET 198 Ca -0.00 0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 57.09 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 0.03 0.09 0.92 0.28 1.06 0.00 0.00 176.91 179.29 3hbx n VAL 199 N -3.06 0.03 -4.11 -2.22 0.31 -1.07 -5.00 118.33 103.22 3hbx n VAL 199 Ca 0.03 -0.01 -0.06 0.00 -0.01 0.00 0.00 64.34 64.29 3hbx n VAL 199 Cb 0.57 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.68 0.80 0.31 4.52 5.68 -1.26 -5.03 116.55 125.26 3hbx n ASP 200 Ca 0.16 -1.54 0.20 0.00 -0.50 0.00 0.00 54.79 53.12 3hbx n ASP 200 Cb 0.32 0.28 0.99 0.00 -1.14 0.00 0.00 41.12 41.58 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 -0.22 0.11 9.09 -2.00 -2.17 114.58 119.40 3hbx h GLU 201 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.34 3hbx h GLU 201 Cb 0.30 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.40 3hbx h GLU 201 CO 0.12 0.00 0.00 0.09 0.05 0.00 0.00 179.01 179.27 3hbx n ASN 202 N -3.11 2.62 -4.61 3.06 3.02 -1.26 -4.88 115.26 110.10 3hbx n ASN 202 Ca -0.02 -1.86 -0.43 0.00 -0.03 0.00 0.00 54.58 52.25 3hbx n ASN 202 Cb 0.17 -0.14 -0.02 0.00 -0.61 0.00 0.00 39.78 39.18 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 -1.73 4.22 -0.17 3.41 2.01 -0.82 -0.57 115.64 121.99 3hbx s THR 203 Ca 0.35 1.30 0.21 0.00 0.31 0.00 0.00 61.69 63.86 3hbx s THR 203 Cb 0.20 -4.46 0.23 0.00 0.01 0.00 0.00 72.50 68.48 3hbx s THR 203 CO 0.30 -0.80 1.63 0.16 -0.69 0.00 0.00 174.62 175.21 3hbx h ILE 204 N 6.13 0.42 -1.35 1.82 3.07 -1.19 -3.46 117.51 122.95 3hbx h ILE 204 Ca -0.23 -1.41 0.30 0.00 1.55 0.00 0.00 64.86 65.07 3hbx h ILE 204 Cb 1.07 2.06 -0.17 0.00 -0.27 0.00 0.00 36.82 39.51 3hbx h ILE 204 CO 1.09 0.22 0.86 0.00 -1.05 0.00 0.00 178.15 179.27 3hbx s VAL 206 N -2.32 3.75 -0.36 0.00 1.01 -0.35 -2.33 120.40 119.80 3hbx s VAL 206 Ca 0.12 -0.38 -0.15 0.00 0.00 0.00 0.00 61.98 61.57 3hbx s VAL 206 Cb 0.01 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3hbx s VAL 206 CO -0.04 0.38 0.32 0.00 0.00 0.00 0.00 175.10 175.76 3hbx s ALA 207 N 1.53 3.49 0.02 5.51 0.00 -0.17 -1.10 121.76 131.04 3hbx s ALA 207 Ca 0.06 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.62 3hbx s ALA 207 Cb -0.15 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 3hbx s ALA 207 CO -0.00 -1.14 0.23 0.00 0.00 0.00 0.00 175.76 174.85 3hbx s ALA 208 N 1.89 3.92 -0.27 0.00 0.00 0.61 -4.52 121.76 123.40 3hbx s ALA 208 Ca 0.09 -0.70 -0.06 0.00 0.00 0.00 0.00 51.96 51.30 3hbx s ALA 208 Cb -0.17 -1.95 0.00 0.00 0.00 0.00 0.00 23.12 21.00 3hbx s ALA 208 CO 0.11 0.72 0.03 0.42 0.00 0.00 0.00 175.76 177.05 3hbx s ILE 209 N -1.38 3.74 -1.20 0.00 1.01 -1.26 0.18 121.20 122.29 3hbx s ILE 209 Ca 0.30 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.23 3hbx s ILE 209 Cb -0.13 -2.85 0.21 0.00 0.01 0.00 0.00 42.46 39.70 3hbx s ILE 209 CO 0.20 0.21 1.54 -0.11 0.00 0.00 0.00 174.94 176.77 3hbx n LEU 210 N 4.83 5.90 0.00 2.97 7.94 -0.51 -2.17 117.00 135.96 3hbx n LEU 210 Ca -0.16 -4.72 0.00 0.00 -1.11 0.00 0.00 56.01 50.03 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 0.00 177.39 178.36 3hbx n GLY 211 N 3.06 0.97 3.76 -3.96 0.00 -1.04 -2.47 105.19 105.51 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 6.83 0.00 1.61 0.15 -0.47 -4.76 113.70 117.06 3hbx s SER 212 Ca 0.00 2.57 0.14 0.00 0.70 0.00 0.00 55.95 59.36 3hbx s SER 212 Cb 0.00 -2.63 0.72 0.00 -1.71 0.00 0.00 66.02 62.40 3hbx s SER 212 CO 0.00 -0.53 1.37 0.35 1.20 0.00 0.00 173.24 175.63 3hbx n THR 213 N 1.58 0.57 -0.04 6.45 -2.24 -1.26 0.19 114.28 119.52 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 -0.91 -0.14 0.00 -2.10 0.00 0.00 70.33 67.60 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 -1.26 2.28 -0.26 3.22 4.77 -1.26 -4.71 117.00 119.77 3hbx n LEU 214 Ca 0.07 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3hbx n LEU 214 Cb 0.11 -0.76 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3hbx n LEU 214 CO 0.10 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 -1.15 -1.43 6.94 -1.19 -4.87 115.26 110.25 3hbx n ASN 215 Ca -0.33 -1.30 -0.15 0.00 -0.02 0.00 0.00 54.58 52.78 3hbx n ASN 215 Cb 1.04 -0.06 -0.06 0.00 -2.36 0.00 0.00 39.78 38.34 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 1.48 3.77 4.83 0.00 0.13 -4.12 105.19 111.27 3hbx n GLY 216 Ca 0.00 -0.11 -0.39 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.23 4.68 -0.01 1.61 2.12 -1.26 -0.61 118.70 122.00 3hbx s GLU 217 Ca 0.00 1.30 -0.27 0.00 0.36 0.00 0.00 54.97 56.36 3hbx s GLU 217 Cb 0.00 -3.20 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 3hbx s GLU 217 CO 0.00 0.51 0.84 -0.06 -0.54 0.00 0.00 175.26 176.01 3hbx s PHE 218 N -1.24 3.65 0.53 5.30 0.08 -1.26 -1.37 117.98 123.67 3hbx s PHE 218 Ca 0.40 1.50 -0.18 0.00 0.12 0.00 0.00 56.93 58.77 3hbx s PHE 218 Cb -0.23 -2.95 -0.07 0.00 -0.57 0.00 0.00 43.02 39.20 3hbx s PHE 218 CO 0.28 0.08 1.04 -1.21 -0.10 0.00 0.00 175.22 175.31 3hbx s GLU 219 N 0.70 3.65 -1.27 0.44 2.02 -0.92 -4.89 118.70 118.43 3hbx s GLU 219 Ca 0.44 1.25 -0.18 0.00 0.02 0.00 0.00 54.97 56.50 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 0.24 -0.54 1.94 -3.47 0.02 0.00 0.00 175.26 173.45 3hbx n ASP 220 N -1.42 4.03 -0.27 -0.19 -0.08 -1.26 -4.75 116.55 112.60 3hbx n ASP 220 Ca 0.09 -2.83 -0.02 0.00 -1.51 0.00 0.00 54.79 50.52 3hbx n ASP 220 Cb 0.53 -1.64 0.17 0.00 2.34 0.00 0.00 41.12 42.51 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 5.05 1.23 -0.65 5.18 2.07 -1.91 -2.10 116.25 125.13 3hbx h VAL 221 Ca 0.45 -0.54 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hbx h VAL 221 Cb 0.79 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3hbx h VAL 221 CO 1.61 0.25 0.36 0.50 0.02 0.00 0.00 177.57 180.31 3hbx h LYS 222 N 1.12 0.90 -0.36 1.57 3.64 -1.86 0.20 116.57 121.77 3hbx h LYS 222 Ca 0.29 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.53 3hbx h LYS 222 Cb -0.01 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3hbx h LYS 222 CO -0.05 0.67 0.10 1.25 -2.27 0.00 0.00 179.45 179.16 3hbx h LEU 223 N 0.88 0.54 -0.74 5.20 5.85 -1.84 -0.78 115.31 124.41 3hbx h LEU 223 Ca 0.23 -0.21 0.08 0.00 0.84 0.00 0.00 57.88 58.81 3hbx h LEU 223 Cb 0.03 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.86 3hbx h LEU 223 CO -0.04 0.61 0.42 0.25 -0.34 0.00 0.00 178.44 179.34 3hbx h LEU 224 N 0.43 0.60 -0.43 2.25 5.85 -1.00 -0.53 115.31 122.48 3hbx h LEU 224 Ca 0.12 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 3hbx h LEU 224 Cb 0.27 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 3hbx h LEU 224 CO -0.00 0.37 0.17 -1.13 -0.34 0.00 0.00 178.44 177.51 3hbx h ASN 225 N 0.73 0.59 -0.25 1.25 -1.24 -0.67 -1.20 115.58 114.80 3hbx h ASN 225 Ca 0.35 -0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 3hbx h ASN 225 Cb 0.27 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 3hbx h ASN 225 CO -0.22 0.59 0.13 0.44 -1.29 0.00 0.00 177.43 177.09 3hbx h ASP 226 N 0.55 0.32 -0.49 1.15 3.32 -0.38 -0.74 116.42 120.15 3hbx h ASP 226 Ca 0.14 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.01 3hbx h ASP 226 Cb 0.19 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3hbx h ASP 226 CO -0.01 0.32 -0.03 -0.07 -1.72 0.00 0.00 179.24 177.73 3hbx h LEU 227 N 0.29 0.92 -0.63 1.55 3.38 -1.10 -2.94 115.31 116.77 3hbx h LEU 227 Ca 0.09 -0.26 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3hbx h LEU 227 Cb 0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3hbx h LEU 227 CO -0.01 0.99 -0.67 0.25 0.09 0.00 0.00 178.44 179.09 3hbx h LEU 228 N 0.86 0.07 -0.70 1.67 6.46 -0.99 -1.78 115.31 120.89 3hbx h LEU 228 Ca 0.15 -0.05 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 3hbx h LEU 228 Cb 0.55 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 3hbx h LEU 228 CO 0.03 0.72 0.09 0.58 -0.62 0.00 0.00 178.44 179.24 3hbx h VAL 229 N 0.04 1.26 0.06 1.05 2.07 -1.08 -0.58 116.25 119.08 3hbx h VAL 229 Ca -0.01 -1.05 -0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hbx h VAL 229 Cb 1.19 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 3hbx h VAL 229 CO 0.09 0.39 -0.03 -0.33 0.02 0.00 0.00 177.57 177.72 3hbx h GLU 230 N 1.01 -0.08 -0.11 1.57 4.39 -1.31 -2.69 114.58 117.37 3hbx h GLU 230 Ca 0.20 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 3hbx h GLU 230 Cb 0.46 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 3hbx h GLU 230 CO 0.02 0.11 0.02 -0.22 -1.16 0.00 0.00 179.01 177.78 3hbx h LYS 231 N -0.25 0.15 -0.22 2.33 3.64 -1.23 -1.75 116.57 119.23 3hbx h LYS 231 Ca -0.01 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.27 3hbx h LYS 231 Cb 0.22 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3hbx h LYS 231 CO 0.01 0.14 -0.24 -0.91 -2.27 0.00 0.00 179.45 176.19 3hbx h ASN 232 N 0.15 0.41 -0.31 4.20 2.35 -0.88 -0.21 115.58 121.30 3hbx h ASN 232 Ca 0.04 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3hbx h ASN 232 Cb 0.06 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 3hbx h ASN 232 CO -0.00 0.65 0.09 0.11 -1.65 0.00 0.00 177.43 176.62 3hbx h LYS 233 N 0.37 0.57 0.01 0.81 1.57 -0.99 -1.54 116.57 117.38 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 0.62 -0.10 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 0.56 -0.01 -0.08 3.15 3.07 -1.37 -3.39 114.58 116.51 3hbx h GLU 234 Ca 0.13 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.91 3hbx h GLU 234 Cb 0.23 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.13 3hbx h GLU 234 CO -0.00 -0.01 -0.31 1.79 -1.40 0.00 0.00 179.01 179.08 3hbx h THR 235 N -0.67 1.25 0.00 1.13 1.35 -1.13 -3.46 112.91 111.38 3hbx h THR 235 Ca -0.00 -1.18 0.00 0.00 -0.55 0.00 0.00 66.41 64.68 3hbx h THR 235 Cb 0.01 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3hbx h THR 235 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 3hbx n GLY 236 N -0.52 2.82 3.76 5.82 0.00 -0.58 -5.00 105.19 111.49 3hbx n GLY 236 Ca -0.01 0.00 -0.37 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 -2.52 2.53 -0.84 1.61 0.51 -1.26 -4.95 118.94 114.02 3hbx s TRP 237 Ca 0.00 1.49 0.01 0.00 -2.12 0.00 0.00 56.10 55.48 3hbx s TRP 237 Cb 0.00 -3.52 0.34 0.00 -0.81 0.00 0.00 33.47 29.48 3hbx s TRP 237 CO 0.00 -2.12 1.56 -3.47 -0.51 0.00 0.00 176.95 172.41 3hbx n ASP 238 N -1.09 6.41 -4.68 2.95 2.03 -1.26 -4.66 116.55 116.25 3hbx n ASP 238 Ca 0.11 -3.71 -0.42 0.00 0.52 0.00 0.00 54.79 51.28 3hbx n ASP 238 Cb 0.48 -0.94 -0.03 0.00 -0.72 0.00 0.00 41.12 39.91 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 -4.56 2.94 0.43 5.18 2.01 -1.26 -4.99 115.64 115.39 3hbx s THR 239 Ca 0.44 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.69 3hbx s THR 239 Cb 0.26 -3.16 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 3hbx s THR 239 CO -0.18 -0.01 0.64 -2.16 -0.69 0.00 0.00 174.62 172.23 3hbx s PRO 240 N 3.35 3.11 -0.07 4.92 0.05 -1.26 -4.96 135.00 140.14 3hbx s PRO 240 Ca 0.80 -0.53 0.03 0.00 0.05 0.00 0.00 61.00 61.35 3hbx s PRO 240 Cb -0.42 -2.59 -0.02 0.00 0.05 0.00 0.00 34.50 31.52 3hbx s PRO 240 CO 0.36 -0.20 -0.14 0.42 0.05 0.00 0.00 177.00 177.48 3hbx s ILE 241 N -2.50 3.01 -0.10 0.56 1.01 0.31 -1.21 121.20 122.29 3hbx s ILE 241 Ca 0.47 -0.72 0.02 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 40.16 3hbx s ILE 241 CO 0.37 0.57 -0.16 -2.28 0.00 0.00 0.00 174.94 173.45 3hbx s HIS 242 N -0.41 2.72 -0.33 3.97 5.65 -0.26 -1.07 115.29 125.57 3hbx s HIS 242 Ca 0.05 -0.56 -0.10 0.00 0.25 0.00 0.00 55.06 54.70 3hbx s HIS 242 Cb -0.12 -1.75 0.00 0.00 -1.18 0.00 0.00 32.58 29.53 3hbx s HIS 242 CO 0.02 -0.12 0.17 0.08 -0.65 0.00 0.00 174.74 174.24 3hbx s VAL 243 N 0.01 4.63 -0.92 0.89 1.01 -0.93 -0.28 120.40 124.81 3hbx s VAL 243 Ca -0.05 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 3hbx s VAL 243 Cb -0.14 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.86 3hbx s VAL 243 CO 0.04 -0.03 1.35 -0.62 0.00 0.00 0.00 175.10 175.84 3hbx s ASP 244 N 1.60 6.40 -0.59 3.32 -1.08 0.13 -2.33 116.67 124.13 3hbx s ASP 244 Ca 0.04 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.86 3hbx s ASP 244 Cb -0.18 -2.55 0.45 0.00 -1.46 0.00 0.00 42.92 39.19 3hbx s ASP 244 CO 0.07 -1.56 1.84 0.00 0.52 0.00 0.00 175.17 176.04 3hbx n ALA 245 N 8.77 6.05 -0.32 3.66 0.00 -0.03 -1.42 120.51 137.21 3hbx n ALA 245 Ca 0.22 -3.57 0.04 0.00 0.00 0.00 0.00 53.44 50.13 3hbx n ALA 245 Cb 0.50 -1.45 0.11 0.00 0.00 0.00 0.00 19.45 18.61 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 2.07 0.56 0.00 0.00 0.00 -1.82 -0.95 119.26 119.13 3hbx h ALA 246 Ca 0.55 0.34 -0.30 0.00 0.00 0.00 0.00 54.91 55.51 3hbx h ALA 246 Cb 0.95 0.70 -0.04 0.00 0.00 0.00 0.00 17.79 19.40 3hbx h ALA 246 CO 1.40 -0.41 -1.95 -1.13 0.00 0.00 0.00 179.25 177.17 3hbx n SER 247 N -5.57 1.49 0.33 0.00 3.41 -1.26 -0.76 113.62 111.27 3hbx n SER 247 Ca 0.13 0.26 0.19 0.00 -0.26 0.00 0.00 58.87 59.19 3hbx n SER 247 Cb 0.45 -0.61 1.04 0.00 -0.26 0.00 0.00 64.21 64.82 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 -0.74 0.00 1.86 5.00 0.00 -1.52 -2.80 103.07 104.87 3hbx h GLY 248 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 3hbx h GLY 248 CO -0.27 0.00 0.08 -1.33 0.00 0.00 0.00 176.54 175.02 3hbx h GLY 249 N 0.00 0.19 -2.65 4.60 0.00 -1.38 -1.36 103.07 102.47 3hbx h GLY 249 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3hbx h GLY 249 CO -0.00 0.07 0.00 0.69 0.00 0.00 0.00 176.54 177.30 3hbx n PHE 250 N -4.51 1.49 0.00 5.60 3.72 -1.05 -4.46 117.46 118.25 3hbx n PHE 250 Ca -0.01 -0.75 -0.01 0.00 -0.05 0.00 0.00 57.45 56.64 3hbx n PHE 250 Cb 0.09 -0.37 -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 0.32 0.16 -0.08 4.37 5.41 -0.61 -4.78 119.36 124.14 3hbx n ILE 251 Ca 0.24 0.03 -0.06 0.00 1.00 0.00 0.00 62.75 63.95 3hbx n ILE 251 Cb 0.99 -1.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.40 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 -0.03 0.27 0.00 -1.39 0.00 -1.54 0.05 119.26 116.62 3hbx h ALA 252 Ca -0.02 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hbx h ALA 252 Cb 0.93 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hbx h ALA 252 CO -0.01 -0.41 0.14 -1.35 0.00 0.00 0.00 179.25 177.62 3hbx h PRO 253 N 0.09 0.00 0.00 0.00 0.11 -1.78 0.24 132.00 130.66 3hbx h PRO 253 Ca 0.15 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.07 3hbx h PRO 253 Cb 0.20 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 3hbx h PRO 253 CO -0.25 0.00 -1.70 1.19 -0.21 0.00 0.00 178.00 177.03 3hbx n PHE 254 N -2.99 0.00 -0.01 0.65 3.72 -0.84 -4.37 117.46 113.61 3hbx n PHE 254 Ca -0.03 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.21 3hbx n PHE 254 Cb 0.20 -0.48 -0.14 0.00 -0.94 0.00 0.00 39.48 38.12 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 -2.67 1.94 -3.39 4.37 4.77 -0.05 -4.74 117.00 117.22 3hbx n LEU 255 Ca -0.20 0.27 -0.26 0.00 -0.03 0.00 0.00 56.01 55.79 3hbx n LEU 255 Cb 0.77 -0.60 -0.09 0.00 -2.33 0.00 0.00 43.42 41.16 3hbx n LEU 255 CO 0.16 0.68 -0.26 -1.22 -1.33 0.00 0.00 177.39 175.42 3hbx n TYR 256 N -3.30 -0.02 0.27 -1.77 4.01 0.85 -4.94 117.16 112.25 3hbx n TYR 256 Ca -0.27 -3.54 0.16 0.00 -0.16 0.00 0.00 57.90 54.09 3hbx n TYR 256 Cb 1.05 -0.07 0.60 0.00 -0.31 0.00 0.00 39.34 40.61 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 5.02 0.00 -0.00 -0.72 0.11 -1.73 -3.02 132.00 131.65 3hbx h PRO 257 Ca 0.19 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 66.13 3hbx h PRO 257 Cb 0.87 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 3hbx h PRO 257 CO 0.46 0.00 -0.81 0.93 -0.21 0.00 0.00 178.00 178.38 3hbx h GLU 258 N 0.00 0.10 -6.35 1.05 3.07 -1.92 -3.44 114.58 107.09 3hbx h GLU 258 Ca -0.00 -0.11 -0.53 0.00 -0.50 0.00 0.00 59.36 58.22 3hbx h GLU 258 Cb 0.60 0.03 0.02 0.00 -0.84 0.00 0.00 28.75 28.56 3hbx h GLU 258 CO 0.00 0.85 1.24 -0.11 -1.40 0.00 0.00 179.01 179.59 3hbx n LEU 259 N -3.66 4.16 -4.52 1.33 7.94 -1.14 -4.95 117.00 116.16 3hbx n LEU 259 Ca -0.02 0.90 -0.43 0.00 -1.11 0.00 0.00 56.01 55.35 3hbx n LEU 259 Cb 0.76 -1.52 -0.06 0.00 0.53 0.00 0.00 43.42 43.13 3hbx n LEU 259 CO 0.46 0.19 0.46 -1.61 -1.11 0.00 0.00 177.39 175.77 3hbx s GLU 260 N 4.48 3.31 0.00 1.96 2.02 -1.26 -4.74 118.70 124.47 3hbx s GLU 260 Ca 0.89 -0.32 0.00 0.00 0.02 0.00 0.00 54.97 55.57 3hbx s GLU 260 Cb -0.44 -3.96 0.00 0.00 0.10 0.00 0.00 34.13 29.83 3hbx s GLU 260 CO 0.42 -1.08 0.00 -2.67 0.02 0.00 0.00 175.26 171.95 3hbx n TRP 261 N 6.47 0.00 -0.65 1.61 4.27 -1.26 -3.92 117.44 123.95 3hbx n TRP 261 Ca -0.01 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.60 3hbx n TRP 261 Cb 0.48 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.43 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 -4.86 116.55 115.44 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 0.31 0.00 -1.14 0.00 0.00 41.12 40.29 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 -0.99 -1.17 117.46 121.37 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 -0.27 0.61 0.00 -0.94 0.00 0.00 39.48 38.87 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 -5.93 -1.08 3.08 -1.77 -3.39 114.38 105.29 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 0.40 -0.51 -1.07 0.00 0.00 179.97 178.91 3hbx s LEU 265 N -8.44 4.16 0.39 3.04 1.43 -0.32 -4.96 118.68 113.98 3hbx s LEU 265 Ca -0.04 1.16 0.09 0.00 -1.03 0.00 0.00 54.13 54.31 3hbx s LEU 265 Cb 0.16 -3.23 0.86 0.00 0.03 0.00 0.00 46.19 44.01 3hbx s LEU 265 CO 0.66 -0.41 1.95 -0.65 0.23 0.00 0.00 176.35 178.13 3hbx h PRO 266 N 7.37 0.60 0.00 1.29 0.11 -1.86 -2.40 132.00 137.11 3hbx h PRO 266 Ca -0.29 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3hbx h PRO 266 Cb 1.13 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hbx h PRO 266 CO 0.84 0.40 -0.10 1.28 -0.21 0.00 0.00 178.00 180.21 3hbx n LEU 267 N -4.49 0.61 -4.60 2.35 4.77 -1.26 -4.73 117.00 109.65 3hbx n LEU 267 Ca 0.12 0.49 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 3hbx n LEU 267 Cb 0.33 -0.34 -0.02 0.00 -2.33 0.00 0.00 43.42 41.06 3hbx n LEU 267 CO 0.33 -0.11 1.31 -0.69 -1.33 0.00 0.00 177.39 176.90 3hbx s VAL 268 N -3.08 3.79 -0.10 4.08 1.01 -0.90 -0.53 120.40 124.66 3hbx s VAL 268 Ca 0.11 0.82 0.19 0.00 0.00 0.00 0.00 61.98 63.10 3hbx s VAL 268 Cb 0.14 -4.03 -0.29 0.00 0.00 0.00 0.00 36.38 32.20 3hbx s VAL 268 CO 0.60 -0.63 0.29 0.29 0.00 0.00 0.00 175.10 175.65 3hbx n LYS 269 N 8.11 0.72 -3.61 2.72 4.76 -0.23 -4.74 118.16 125.89 3hbx n LYS 269 Ca 0.18 -0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.35 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 -4.85 -0.48 -0.01 4.39 1.04 -1.24 -0.55 113.70 111.99 3hbx s SER 270 Ca -0.09 0.47 0.01 0.00 0.48 0.00 0.00 55.95 56.82 3hbx s SER 270 Cb 0.10 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.68 3hbx s SER 270 CO 0.84 -0.56 -0.05 -0.63 0.98 0.00 0.00 173.24 173.82 3hbx s ILE 271 N -1.32 0.41 0.09 -1.02 1.01 -0.18 -2.18 121.20 118.02 3hbx s ILE 271 Ca -0.12 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 60.42 3hbx s ILE 271 Cb -0.02 -0.37 -0.04 0.00 0.01 0.00 0.00 42.46 42.05 3hbx s ILE 271 CO 0.07 0.13 -0.14 0.54 0.00 0.00 0.00 174.94 175.54 3hbx s ASN 272 N 0.07 4.14 -0.08 3.58 4.22 -0.98 -0.31 114.94 125.57 3hbx s ASN 272 Ca -0.00 -0.44 -0.14 0.00 -2.14 0.00 0.00 52.86 50.14 3hbx s ASN 272 Cb -0.04 -0.71 0.03 0.00 1.28 0.00 0.00 41.25 41.80 3hbx s ASN 272 CO -0.00 0.20 0.35 0.54 -2.04 0.00 0.00 177.10 176.14 3hbx s VAL 273 N -1.13 0.02 -0.34 3.54 0.11 -0.36 -0.85 120.40 121.39 3hbx s VAL 273 Ca 0.19 -0.20 -0.16 0.00 -2.93 0.00 0.00 61.98 58.88 3hbx s VAL 273 Cb -0.11 -0.57 -0.01 0.00 -1.53 0.00 0.00 36.38 34.16 3hbx s VAL 273 CO 0.11 -0.11 0.39 -0.44 -3.33 0.00 0.00 175.10 171.72 3hbx s SER 274 N -0.47 6.21 0.39 3.54 0.01 0.06 -0.36 113.70 123.09 3hbx s SER 274 Ca -0.06 -0.14 0.11 0.00 1.31 0.00 0.00 55.95 57.18 3hbx s SER 274 Cb -0.04 -2.21 0.81 0.00 0.21 0.00 0.00 66.02 64.79 3hbx s SER 274 CO 0.02 -0.35 1.90 1.23 0.41 0.00 0.00 173.24 176.46 3hbx h GLY 275 N 8.79 0.13 -3.37 3.44 0.00 -1.49 -3.27 103.07 107.31 3hbx h GLY 275 Ca -0.30 -0.08 -0.23 0.00 0.00 0.00 0.00 47.33 46.72 3hbx h GLY 275 CO 0.70 0.08 0.29 -2.39 0.00 0.00 0.00 176.54 175.22 3hbx n HIS 276 N -4.23 1.08 0.00 5.60 1.44 -0.96 -2.21 115.22 115.93 3hbx n HIS 276 Ca -0.02 -1.68 0.00 0.00 -2.01 0.00 0.00 57.72 54.01 3hbx n HIS 276 Cb 0.30 -0.84 0.00 0.00 0.12 0.00 0.00 29.99 29.57 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 0.72 0.00 1.22 -1.40 4.02 -1.25 -0.29 117.16 120.17 3hbx n TYR 278 Ca 0.22 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 58.25 3hbx n TYR 278 Cb 0.56 0.00 0.69 0.00 -0.02 0.00 0.00 39.34 40.56 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 -0.39 -1.37 2.52 2.72 0.00 -1.02 -4.78 105.19 102.87 3hbx n GLY 279 Ca 0.00 -0.12 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.38 -2.36 -4.36 0.99 4.77 -0.94 -4.94 117.00 108.78 3hbx n LEU 280 Ca 0.11 -0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.64 3hbx n LEU 280 Cb 0.28 -1.91 -0.12 0.00 -2.33 0.00 0.00 43.42 39.34 3hbx n LEU 280 CO 0.24 0.20 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.30 3hbx s VAL 281 N -2.98 2.01 0.88 4.08 1.01 -0.97 -4.93 120.40 119.50 3hbx s VAL 281 Ca 0.22 -1.86 -0.11 0.00 0.00 0.00 0.00 61.98 60.23 3hbx s VAL 281 Cb -0.10 -1.89 0.13 0.00 0.00 0.00 0.00 36.38 34.52 3hbx s VAL 281 CO 0.27 -0.16 1.17 -0.31 0.00 0.00 0.00 175.10 176.07 3hbx s TYR 282 N -1.64 1.67 0.25 5.22 2.02 -1.26 -4.14 117.35 119.48 3hbx s TYR 282 Ca 0.15 1.76 -0.30 0.00 -0.37 0.00 0.00 57.07 58.31 3hbx s TYR 282 Cb -0.08 -3.39 -0.14 0.00 -0.40 0.00 0.00 41.96 37.96 3hbx s TYR 282 CO 0.07 -2.83 1.25 0.00 -1.57 0.00 0.00 175.55 172.48 3hbx n ALA 283 N -3.95 0.48 0.00 3.71 0.00 -1.26 -4.36 120.51 115.14 3hbx n ALA 283 Ca 0.12 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.97 3hbx n ALA 283 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.80 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 1.68 1.26 3.19 0.00 0.00 -1.26 -5.00 105.19 105.07 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 -1.26 -0.12 0.24 -0.61 1.10 0.21 -4.61 121.20 116.15 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 -0.54 -0.04 0.00 0.15 0.00 0.00 42.46 42.03 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 1.56 1.66 -0.00 1.50 0.00 0.11 -1.31 107.32 110.84 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 -1.46 0.12 -0.98 0.00 0.00 0.00 173.10 170.67 3hbx s TRP 287 N -3.95 0.04 -0.04 1.90 0.52 0.52 0.20 118.94 118.13 3hbx s TRP 287 Ca 0.39 -0.10 0.00 0.00 0.02 0.00 0.00 56.10 56.40 3hbx s TRP 287 Cb 0.06 -0.05 0.03 0.00 -1.15 0.00 0.00 33.47 32.36 3hbx s TRP 287 CO 0.15 -0.25 -0.00 0.54 0.02 0.00 0.00 176.95 177.40 3hbx s VAL 288 N -1.19 0.23 -0.02 4.03 0.11 -0.84 -1.23 120.40 121.49 3hbx s VAL 288 Ca -0.13 0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.06 3hbx s VAL 288 Cb -0.07 -0.33 -0.03 0.00 -1.53 0.00 0.00 36.38 34.42 3hbx s VAL 288 CO 0.01 0.17 -0.17 -0.63 -3.33 0.00 0.00 175.10 171.16 3hbx s ILE 289 N 1.18 2.87 -0.03 7.04 -1.09 0.57 -1.79 121.20 129.95 3hbx s ILE 289 Ca -0.07 -0.90 0.02 0.00 -2.23 0.00 0.00 60.65 57.47 3hbx s ILE 289 Cb -0.13 -2.14 -0.03 0.00 -1.58 0.00 0.00 42.46 38.58 3hbx s ILE 289 CO -0.02 0.52 -0.09 0.26 -1.23 0.00 0.00 174.94 174.38 3hbx s TRP 290 N -0.77 2.86 0.12 3.97 0.51 0.20 -1.01 118.94 124.82 3hbx s TRP 290 Ca 0.12 -0.04 -0.21 0.00 -2.12 0.00 0.00 56.10 53.85 3hbx s TRP 290 Cb -0.10 -1.65 -0.06 0.00 -0.81 0.00 0.00 33.47 30.85 3hbx s TRP 290 CO 0.02 0.32 1.71 -0.09 -0.51 0.00 0.00 176.95 178.40 3hbx h ARG 291 N 4.97 -0.00 -4.39 4.98 2.43 -1.12 -3.40 114.38 117.85 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 30.57 3hbx h ARG 291 CO 0.52 -0.00 -0.57 -0.80 -1.51 0.00 0.00 179.97 177.61 3hbx s ASN 292 N -5.20 0.18 0.48 -3.80 0.01 -1.26 -4.36 114.94 101.00 3hbx s ASN 292 Ca -0.13 -1.23 0.14 0.00 -0.71 0.00 0.00 52.86 50.93 3hbx s ASN 292 Cb 0.09 0.37 1.13 0.00 0.41 0.00 0.00 41.25 43.25 3hbx s ASN 292 CO 0.68 -0.82 2.07 0.50 -1.51 0.00 0.00 177.10 178.02 3hbx h LYS 293 N 2.68 0.22 0.00 -0.60 3.64 -1.95 -1.94 116.57 118.63 3hbx h LYS 293 Ca -0.34 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3hbx h LYS 293 Cb 1.23 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hbx h LYS 293 CO 0.54 0.15 -0.02 1.05 -2.27 0.00 0.00 179.45 178.90 3hbx h GLU 294 N 0.23 0.00 -0.00 1.90 4.11 -1.99 -2.40 114.58 116.43 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 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hbx h GLU 294 CO -0.02 0.02 -0.09 -0.25 0.07 0.00 0.00 179.01 178.74 3hbx n ASP 295 N -3.15 0.14 -4.02 3.06 8.00 -0.73 -4.41 116.55 115.44 3hbx n ASP 295 Ca -0.01 0.10 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 3hbx n ASP 295 Cb 0.20 -0.29 -0.14 0.00 -0.02 0.00 0.00 41.12 40.88 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 -2.83 4.76 0.02 0.64 0.20 -0.90 -4.73 118.68 115.84 3hbx s LEU 296 Ca 0.19 -2.45 -0.37 0.00 0.69 0.00 0.00 54.13 52.19 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 3.91 1.42 0.28 0.98 -0.02 -1.26 -4.84 135.00 135.46 3hbx n PRO 297 Ca 0.04 0.52 0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3hbx n PRO 297 Cb 0.39 -2.21 0.80 0.00 -0.02 0.00 0.00 33.50 32.46 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 -2.32 114.58 120.01 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 0.05 0.00 -0.85 -1.18 0.00 0.00 179.01 177.87 3hbx n GLU 299 N -3.94 0.39 0.03 1.92 0.00 -1.26 -2.38 120.64 115.40 3hbx n GLU 299 Ca -0.03 0.05 0.12 0.00 0.00 0.00 0.00 57.16 57.31 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 -1.26 0.49 -4.78 -1.84 4.77 -0.87 -4.89 117.00 108.62 3hbx n LEU 300 Ca 0.12 0.20 -0.38 0.00 -0.03 0.00 0.00 56.01 55.92 3hbx n LEU 300 Cb 0.19 -0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 3hbx n LEU 300 CO 0.18 0.03 0.21 -0.63 -1.33 0.00 0.00 177.39 175.85 3hbx s ILE 301 N -3.06 4.97 0.19 -0.08 1.01 -1.00 -4.81 121.20 118.42 3hbx s ILE 301 Ca 0.10 1.05 0.07 0.00 0.00 0.00 0.00 60.65 61.87 3hbx s ILE 301 Cb 0.16 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 3hbx s ILE 301 CO 0.67 0.47 0.06 -0.36 0.00 0.00 0.00 174.94 175.78 3hbx s PHE 302 N -0.46 2.95 -0.26 3.97 0.40 -0.70 -4.95 117.98 118.92 3hbx s PHE 302 Ca 0.27 -0.10 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 3hbx s PHE 302 Cb -0.17 -1.40 0.08 0.00 0.51 0.00 0.00 43.02 42.04 3hbx s PHE 302 CO 0.15 0.53 0.08 -1.01 0.70 0.00 0.00 175.22 175.67 3hbx s HIS 303 N -1.83 1.17 0.40 0.36 3.76 -1.25 -1.43 115.29 116.47 3hbx s HIS 303 Ca 0.29 -1.22 0.06 0.00 -0.15 0.00 0.00 55.06 54.04 3hbx s HIS 303 Cb -0.09 -1.28 0.00 0.00 1.11 0.00 0.00 32.58 32.32 3hbx s HIS 303 CO 0.21 -0.76 0.56 0.96 -0.85 0.00 0.00 174.74 174.85 3hbx s ILE 304 N 1.81 3.61 0.00 0.60 -4.36 -1.23 -4.78 121.20 116.85 3hbx s ILE 304 Ca 0.05 -0.89 0.00 0.00 -0.26 0.00 0.00 60.65 59.55 3hbx s ILE 304 Cb -0.17 -3.26 0.00 0.00 1.25 0.00 0.00 42.46 40.28 3hbx s ILE 304 CO -0.21 -0.12 0.50 -0.46 0.24 0.00 0.00 174.94 174.90 3hbx n ASN 305 N -1.84 0.00 -0.52 4.36 6.94 -1.25 -2.91 115.26 120.05 3hbx n ASN 305 Ca 0.03 -1.25 0.14 0.00 -0.02 0.00 0.00 54.58 53.48 3hbx n ASN 305 Cb 0.58 -0.05 0.49 0.00 -2.36 0.00 0.00 39.78 38.44 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 0.00 0.02 0.36 -2.53 0.18 -1.26 -3.82 117.16 110.10 3hbx n TYR 306 Ca 0.00 -0.01 0.06 0.00 1.88 0.00 0.00 57.90 59.83 3hbx n TYR 306 Cb 0.55 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.43 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 0.26 0.36 0.00 -3.48 4.77 -1.26 -5.01 117.00 112.64 3hbx n LEU 307 Ca 0.19 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3hbx n LEU 307 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 3hbx n LEU 307 CO 0.16 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 3hbx n GLY 308 N 1.47 1.21 2.42 -0.72 0.00 -1.25 -4.89 105.19 103.43 3hbx n GLY 308 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.64 -2.14 4.61 0.00 -1.26 -5.04 120.51 116.04 3hbx n ALA 309 Ca 0.00 -1.01 -0.40 0.00 0.00 0.00 0.00 53.44 52.03 3hbx n ALA 309 Cb 0.00 0.81 -0.06 0.00 0.00 0.00 0.00 19.45 20.21 3hbx n ALA 309 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3hbx s ASP 310 N -2.46 7.35 -0.02 0.00 3.84 -1.21 -3.88 116.67 120.30 3hbx s ASP 310 Ca 0.16 1.61 0.00 0.00 -0.00 0.00 0.00 52.55 54.32 3hbx s ASP 310 Cb -0.02 -2.50 0.02 0.00 -1.38 0.00 0.00 42.92 39.04 3hbx s ASP 310 CO 0.12 0.12 0.01 0.00 -0.00 0.00 0.00 175.17 175.42 3hbx s GLN 311 N -0.67 0.06 -1.16 2.11 -2.07 -1.14 -4.93 119.66 111.86 3hbx s GLN 311 Ca 0.38 0.11 -0.20 0.00 -1.82 0.00 0.00 55.36 53.82 3hbx s GLN 311 Cb -0.22 -0.25 0.06 0.00 -1.09 0.00 0.00 33.01 31.50 3hbx s GLN 311 CO 0.26 -0.12 1.59 -2.14 -1.32 0.00 0.00 175.29 173.56 3hbx s PRO 312 N 0.79 3.79 -0.15 9.60 0.02 -1.25 -3.52 135.00 144.28 3hbx s PRO 312 Ca -0.07 -1.57 -0.07 0.00 0.02 0.00 0.00 61.00 59.32 3hbx s PRO 312 Cb -0.10 -5.44 -0.04 0.00 0.02 0.00 0.00 34.50 28.94 3hbx s PRO 312 CO -0.02 -2.23 0.10 0.95 -0.33 0.00 0.00 177.00 175.47 3hbx s THR 313 N 4.56 5.13 -0.47 0.99 -4.23 -0.52 -4.91 115.64 116.20 3hbx s THR 313 Ca 0.50 0.08 0.04 0.00 -1.18 0.00 0.00 61.69 61.12 3hbx s THR 313 Cb 0.02 -3.27 0.16 0.00 1.34 0.00 0.00 72.50 70.76 3hbx s THR 313 CO -0.01 0.54 0.35 0.12 -0.54 0.00 0.00 174.62 175.08 3hbx s PHE 314 N -0.37 1.64 0.06 3.99 5.36 -1.26 -1.73 117.98 125.67 3hbx s PHE 314 Ca 0.10 -2.47 -0.13 0.00 -0.96 0.00 0.00 56.93 53.47 3hbx s PHE 314 Cb -0.12 -1.37 0.02 0.00 -0.34 0.00 0.00 43.02 41.21 3hbx s PHE 314 CO 0.01 -0.77 0.30 0.95 -1.46 0.00 0.00 175.22 174.26 3hbx s THR 315 N -0.12 0.09 -0.59 0.12 -4.23 -1.26 -4.98 115.64 104.67 3hbx s THR 315 Ca 0.28 -0.74 0.24 0.00 -1.18 0.00 0.00 61.69 60.30 3hbx s THR 315 Cb -0.03 -1.04 0.16 0.00 1.34 0.00 0.00 72.50 72.93 3hbx s THR 315 CO -0.15 -0.41 1.47 -0.07 -0.54 0.00 0.00 174.62 174.92 3hbx h LEU 316 N 3.00 0.00-10.26 4.79 3.38 -1.99 -3.46 115.31 110.77 3hbx h LEU 316 Ca -0.32 -0.09 -0.45 0.00 0.09 0.00 0.00 57.88 57.10 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 0.48 0.04 -0.35 0.20 0.09 0.00 0.00 178.44 178.90 3hbx s ASN 317 N -4.75 5.64 0.00 -0.43 0.01 -1.26 -5.10 114.94 109.05 3hbx s ASN 317 Ca 0.07 -0.37 0.00 0.00 -0.71 0.00 0.00 52.86 51.84 3hbx s ASN 317 Cb 0.11 -0.97 0.00 0.00 0.41 0.00 0.00 41.25 40.80 3hbx s ASN 317 CO 0.68 -0.51 0.00 0.33 -1.51 0.00 0.00 177.10 176.09 3hbx n PHE 318 N -1.61 0.00 -2.08 2.20 7.35 -1.26 -5.05 117.46 117.01 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 6.72 -0.12 -2.13 0.01 -1.26 -4.41 113.70 113.52 3hbx s SER 319 Ca 0.00 2.68 -0.33 0.00 1.31 0.00 0.00 55.95 59.62 3hbx s SER 319 Cb 0.00 -2.64 0.12 0.00 0.21 0.00 0.00 66.02 63.71 3hbx s SER 319 CO 0.00 -0.60 1.08 -1.59 0.41 0.00 0.00 173.24 172.54 3hbx s LYS 320 N -1.27 0.51 0.59 12.44 -2.85 -1.26 -5.00 119.74 122.89 3hbx s LYS 320 Ca 0.53 -0.19 -0.20 0.00 -1.00 0.00 0.00 55.97 55.11 3hbx s LYS 320 Cb -0.40 0.24 -0.03 0.00 -2.06 0.00 0.00 37.83 35.57 3hbx s LYS 320 CO 0.50 -0.22 1.29 0.20 0.10 0.00 0.00 175.35 177.21 3hbx s GLY 321 N -2.29 2.84 0.00 0.59 0.00 -1.26 -0.77 107.32 106.43 3hbx s GLY 321 Ca 0.08 1.19 0.13 0.00 0.00 0.00 0.00 44.72 46.12 3hbx s GLY 321 CO -0.06 1.65 1.08 -1.14 0.00 0.00 0.00 173.10 174.62 3hbx n SER 322 N -1.44 2.51 -0.22 1.64 3.41 -1.13 -4.58 113.62 113.82 3hbx n SER 322 Ca 0.13 -1.74 -0.08 0.00 -0.26 0.00 0.00 58.87 56.92 3hbx n SER 322 Cb 0.47 -0.12 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 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 2.45 1.05 -0.12 4.04 4.64 -1.84 -2.41 113.55 121.35 3hbx h SER 323 Ca 0.00 -0.27 -0.11 0.00 -0.47 0.00 0.00 61.79 60.93 3hbx h SER 323 Cb 0.64 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 3hbx h SER 323 CO 0.00 1.06 -0.29 1.56 -0.87 0.00 0.00 176.83 178.29 3hbx h GLN 324 N 1.00 0.60 0.10 4.77 7.50 -1.87 0.17 115.11 127.38 3hbx h GLN 324 Ca 0.19 -0.26 -0.00 0.00 0.50 0.00 0.00 58.65 59.08 3hbx h GLN 324 Cb 0.49 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 28.00 3hbx h GLN 324 CO 0.02 0.83 -0.05 0.28 -1.50 0.00 0.00 178.83 178.41 3hbx h VAL 325 N 0.51 0.95 -0.69 -0.54 2.07 -1.82 0.68 116.25 117.41 3hbx h VAL 325 Ca 0.06 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.45 3hbx h VAL 325 Cb 0.77 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 3hbx h VAL 325 CO 0.06 0.04 0.45 0.40 0.02 0.00 0.00 177.57 178.54 3hbx h ILE 326 N -0.20 1.15 -0.95 4.57 2.04 -1.28 -1.96 117.51 120.88 3hbx h ILE 326 Ca -0.01 -0.31 0.01 0.00 1.00 0.00 0.00 64.86 65.55 3hbx h ILE 326 Cb 0.16 0.16 -0.05 0.00 -0.74 0.00 0.00 36.82 36.36 3hbx h ILE 326 CO 0.02 0.17 0.63 0.00 0.00 0.00 0.00 178.15 178.97 3hbx h ALA 327 N 1.26 1.33 -0.19 1.87 0.00 -0.41 -0.93 119.26 122.19 3hbx h ALA 327 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hbx h ALA 327 Cb -0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.33 3hbx h ALA 327 CO -0.07 0.62 0.08 0.37 0.00 0.00 0.00 179.25 180.25 3hbx h GLN 328 N 1.28 0.29 -0.93 0.00 5.75 -0.29 -1.63 115.11 119.58 3hbx h GLN 328 Ca 0.35 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3hbx h GLN 328 Cb -0.13 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.33 3hbx h GLN 328 CO -0.08 0.35 0.59 -0.92 -2.65 0.00 0.00 178.83 176.12 3hbx h TYR 329 N 0.16 1.20 0.22 3.99 3.20 -0.97 -0.87 116.97 123.90 3hbx h TYR 329 Ca 0.06 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3hbx h TYR 329 Cb 0.17 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 3hbx h TYR 329 CO -0.01 0.78 -0.30 -0.92 -1.64 0.00 0.00 178.16 176.06 3hbx h TYR 330 N 1.27 -0.82 -0.70 -3.82 3.20 -0.92 -1.86 116.97 113.32 3hbx h TYR 330 Ca 0.34 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.32 3hbx h TYR 330 Cb -0.10 0.33 -0.08 0.00 1.54 0.00 0.00 36.73 38.42 3hbx h TYR 330 CO -0.00 -0.42 0.32 1.96 -1.64 0.00 0.00 178.16 178.38 3hbx h GLN 331 N -0.59 0.52 0.40 1.82 1.08 -0.88 0.92 115.11 118.38 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 0.57 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3hbx h GLN 331 CO -0.11 0.35 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.86 3hbx h LEU 332 N 0.54 -0.45 -0.00 1.46 3.38 -0.84 -0.56 115.31 118.84 3hbx h LEU 332 Ca 0.35 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 3hbx h LEU 332 Cb 0.42 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hbx h LEU 332 CO -0.30 -0.29 -0.14 0.16 0.09 0.00 0.00 178.44 177.96 3hbx h ILE 333 N -0.57 0.23 0.19 1.22 -0.00 -1.20 -0.90 117.51 116.49 3hbx h ILE 333 Ca -0.05 -1.33 -0.28 0.00 -0.00 0.00 0.00 64.86 63.19 3hbx h ILE 333 Cb 0.43 2.11 0.02 0.00 -0.00 0.00 0.00 36.82 39.39 3hbx h ILE 333 CO 0.09 0.13 -1.29 -0.09 -0.00 0.00 0.00 178.15 176.99 3hbx h ARG 334 N 0.00 0.40 0.05 0.16 1.12 -0.78 -3.39 114.38 111.94 3hbx h ARG 334 Ca -0.00 -0.68 -0.22 0.00 -1.11 0.00 0.00 59.98 57.97 3hbx h ARG 334 Cb 1.10 0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 31.30 3hbx h ARG 334 CO 0.02 1.33 -1.16 -0.07 -3.11 0.00 0.00 179.97 176.97 3hbx h LEU 335 N -0.10 0.16 0.00 3.80 3.38 -1.18 -3.47 115.31 117.90 3hbx h LEU 335 Ca -0.24 -0.74 0.12 0.00 0.09 0.00 0.00 57.88 57.12 3hbx h LEU 335 Cb 1.93 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 3hbx h LEU 335 CO 0.19 1.48 -0.16 0.61 0.09 0.00 0.00 178.44 180.65 3hbx n GLY 336 N 1.61 -1.54 0.24 0.83 0.00 -0.34 -0.92 105.19 105.06 3hbx n GLY 336 Ca -0.26 -1.16 -0.00 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.42 0.47 0.01 1.61 3.86 -1.97 -2.59 115.15 116.12 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 0.41 -0.12 -0.04 0.00 1.06 0.00 0.00 27.41 28.72 3hbx h HIS 337 CO 0.00 0.16 -0.23 1.49 0.86 0.00 0.00 177.93 180.20 3hbx h GLU 338 N 0.48 -0.36 -0.14 2.45 4.81 -2.00 -0.56 114.58 119.27 3hbx h GLU 338 Ca 0.30 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3hbx h GLU 338 Cb 0.33 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 3hbx h GLU 338 CO -0.27 -0.24 0.09 0.78 -0.73 0.00 0.00 179.01 178.64 3hbx h GLY 339 N -0.37 0.19 1.12 1.92 0.00 -0.84 -1.28 103.07 103.81 3hbx h GLY 339 Ca 0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3hbx h GLY 339 CO -0.21 0.07 0.41 -0.97 0.00 0.00 0.00 176.54 175.84 3hbx h TYR 340 N 0.18 1.13 -0.30 5.60 0.05 -1.33 -0.93 116.97 121.37 3hbx h TYR 340 Ca 0.05 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 3hbx h TYR 340 Cb -0.01 -0.36 -0.01 0.00 1.01 0.00 0.00 36.73 37.36 3hbx h TYR 340 CO -0.07 0.80 0.13 -0.09 -1.05 0.00 0.00 178.16 177.89 3hbx h ARG 341 N 1.14 0.44 -0.62 4.88 2.43 -0.85 -0.98 114.38 120.81 3hbx h ARG 341 Ca 0.28 -0.07 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 3hbx h ARG 341 Cb 0.08 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.51 3hbx h ARG 341 CO -0.04 0.44 0.38 -0.91 -1.51 0.00 0.00 179.97 178.34 3hbx h ASN 342 N 0.34 0.63 -0.36 -3.80 2.35 -0.81 0.11 115.58 114.03 3hbx h ASN 342 Ca 0.10 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3hbx h ASN 342 Cb 0.16 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3hbx h ASN 342 CO -0.01 0.44 0.08 0.58 -1.65 0.00 0.00 177.43 176.87 3hbx h VAL 343 N 0.76 1.23 -0.57 2.81 2.07 -1.01 -1.53 116.25 120.01 3hbx h VAL 343 Ca 0.25 -0.79 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 3hbx h VAL 343 Cb 0.02 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3hbx h VAL 343 CO -0.10 0.27 -0.06 0.24 0.02 0.00 0.00 177.57 177.94 3hbx h MET 344 N 0.44 1.04 -0.62 1.57 2.86 -0.91 -1.08 114.93 118.24 3hbx h MET 344 Ca 0.11 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 3hbx h MET 344 Cb 0.32 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3hbx h MET 344 CO 0.00 1.06 0.38 0.93 1.06 0.00 0.00 176.91 180.34 3hbx h GLU 345 N 0.93 0.83 -0.88 1.72 5.08 -0.71 0.15 114.58 121.70 3hbx h GLU 345 Ca 0.15 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3hbx h GLU 345 Cb 0.62 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 3hbx h GLU 345 CO 0.04 0.59 0.57 -0.91 -1.00 0.00 0.00 179.01 178.30 3hbx h ASN 346 N 0.84 1.03 -0.42 1.42 2.35 -1.04 0.33 115.58 120.09 3hbx h ASN 346 Ca 0.22 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 3hbx h ASN 346 Cb -0.03 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.07 3hbx h ASN 346 CO -0.04 0.77 0.02 0.00 -1.65 0.00 0.00 177.43 176.52 3hbx h ARG 348 N 0.58 0.79 -0.27 0.00 2.43 -0.46 -1.65 114.38 115.79 3hbx h ARG 348 Ca 0.12 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 3hbx h ARG 348 Cb 0.46 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 3hbx h ARG 348 CO 0.02 0.70 0.10 1.49 -1.51 0.00 0.00 179.97 180.76 3hbx h GLU 349 N 0.71 0.22 -0.02 0.20 4.57 -0.82 -1.92 114.58 117.51 3hbx h GLU 349 Ca 0.17 -0.01 -0.05 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 0.14 -0.20 -0.91 -1.18 0.00 0.00 179.01 176.85 3hbx h ASN 350 N 0.22 0.03 -0.28 1.04 2.35 -1.16 -1.71 115.58 116.07 3hbx h ASN 350 Ca 0.12 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3hbx h ASN 350 Cb 0.08 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 3hbx h ASN 350 CO -0.12 0.24 0.12 -0.03 -1.65 0.00 0.00 177.43 175.99 3hbx h MET 351 N 0.03 0.42 -0.42 0.81 4.05 -0.62 -1.60 114.93 117.60 3hbx h MET 351 Ca 0.01 -0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.36 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 0.43 0.28 0.82 0.23 0.00 0.00 176.91 178.69 3hbx h ILE 352 N 0.31 1.11 -0.64 1.77 2.04 -0.81 0.26 117.51 121.55 3hbx h ILE 352 Ca 0.10 -0.19 0.05 0.00 1.00 0.00 0.00 64.86 65.81 3hbx h ILE 352 Cb 0.16 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.69 3hbx h ILE 352 CO -0.01 0.10 0.36 0.58 0.00 0.00 0.00 178.15 179.19 3hbx h VAL 353 N 0.56 0.99 -0.27 1.67 2.07 -1.19 0.35 116.25 120.43 3hbx h VAL 353 Ca 0.15 -0.23 -0.17 0.00 0.82 0.00 0.00 66.70 67.27 3hbx h VAL 353 Cb -0.06 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3hbx h VAL 353 CO -0.03 0.12 -0.53 0.25 0.02 0.00 0.00 177.57 177.40 3hbx h LEU 354 N 0.68 0.87 0.17 2.57 5.85 -0.93 -2.60 115.31 121.91 3hbx h LEU 354 Ca 0.28 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3hbx h LEU 354 Cb 0.15 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.93 3hbx h LEU 354 CO -0.17 1.23 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.98 3hbx h ARG 355 N 0.61 -0.23 -0.05 1.25 2.43 0.04 -2.57 114.38 115.86 3hbx h ARG 355 Ca 0.02 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3hbx h ARG 355 Cb 1.11 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 3hbx h ARG 355 CO 0.11 -0.15 -0.06 0.93 -1.51 0.00 0.00 179.97 179.28 3hbx h GLU 356 N -0.24 -0.08 -0.89 0.20 5.08 -0.97 -1.07 114.58 116.60 3hbx h GLU 356 Ca -0.02 0.01 0.21 0.00 -1.00 0.00 0.00 59.36 58.56 3hbx h GLU 356 Cb 0.19 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3hbx h GLU 356 CO 0.03 -0.06 0.60 0.78 -1.00 0.00 0.00 179.01 179.36 3hbx h GLY 357 N -0.09 0.71 1.77 -3.84 0.00 -1.39 0.20 103.07 100.44 3hbx h GLY 357 Ca 0.05 -0.15 -0.24 0.00 0.00 0.00 0.00 47.33 46.98 3hbx h GLY 357 CO -0.11 -0.01 -1.16 1.41 0.00 0.00 0.00 176.54 176.68 3hbx h LEU 358 N 0.33 0.15 -0.66 3.11 3.38 -0.97 -3.25 115.31 117.39 3hbx h LEU 358 Ca 0.46 -0.16 -0.13 0.00 0.09 0.00 0.00 57.88 58.13 3hbx h LEU 358 Cb 1.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.95 3hbx h LEU 358 CO -0.15 1.13 -0.36 -0.33 0.09 0.00 0.00 178.44 178.82 3hbx h GLU 359 N 0.03 0.64 0.00 1.13 5.08 0.28 -3.08 114.58 118.65 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 0.91 -0.05 -0.22 -1.00 0.00 0.00 179.01 178.79 3hbx h LYS 360 N 0.54 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 0.05 -0.25 1.79 -2.27 0.00 0.00 179.45 178.85 3hbx h THR 361 N 0.00 0.00 -2.62 1.00 1.35 -1.60 -3.47 112.91 107.57 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 0.14 1.48 -0.06 0.00 -1.73 0.00 0.00 68.15 67.97 3hbx h THR 361 CO 0.01 0.00 -0.33 -0.62 -0.25 0.00 0.00 175.52 174.33 3hbx n GLU 362 N -2.43 -1.75 -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 -2.48 0.44 -4.39 3.49 1.74 -1.26 -4.96 116.66 109.25 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 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 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 -3.30 1.91 -0.31 -1.55 0.40 -1.26 -1.19 117.98 112.68 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 0.15 -0.87 0.02 0.00 0.51 0.00 0.00 43.02 42.83 3hbx s PHE 364 CO 0.88 0.48 0.07 -0.80 0.70 0.00 0.00 175.22 176.55 3hbx s ASN 365 N -3.39 5.10 -0.28 1.36 0.01 0.13 -4.77 114.94 113.11 3hbx s ASN 365 Ca 0.25 -0.90 -0.29 0.00 -0.71 0.00 0.00 52.86 51.22 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 -0.24 1.79 -0.63 -1.51 0.00 0.00 177.10 176.61 3hbx s ILE 366 N 1.44 3.48 -2.97 0.60 -1.09 -1.26 -1.06 121.20 120.33 3hbx s ILE 366 Ca 0.01 0.50 0.24 0.00 -2.23 0.00 0.00 60.65 59.17 3hbx s ILE 366 Cb -0.18 -3.59 0.21 0.00 -1.58 0.00 0.00 42.46 37.31 3hbx s ILE 366 CO 0.02 -0.34 1.28 0.55 -1.23 0.00 0.00 174.94 175.22 3hbx n VAL 367 N 7.15 0.01 -4.00 2.92 3.14 0.94 -4.92 118.33 123.56 3hbx n VAL 367 Ca 0.22 -0.50 -0.22 0.00 -2.96 0.00 0.00 64.34 60.89 3hbx n VAL 367 Cb 0.46 1.46 -0.04 0.00 -1.06 0.00 0.00 33.84 34.66 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 -1.99 5.45 0.71 6.55 1.04 -1.04 -4.92 113.70 119.51 3hbx s SER 368 Ca 0.29 -0.33 -0.05 0.00 0.48 0.00 0.00 55.95 56.33 3hbx s SER 368 Cb 0.20 -1.25 0.09 0.00 0.10 0.00 0.00 66.02 65.15 3hbx s SER 368 CO 0.30 -0.15 1.01 -0.54 0.98 0.00 0.00 173.24 174.84 3hbx s LYS 369 N -3.90 1.97 0.09 4.02 -0.14 -1.26 -4.93 119.74 115.59 3hbx s LYS 369 Ca 0.36 -0.51 -0.14 0.00 -1.36 0.00 0.00 55.97 54.32 3hbx s LYS 369 Cb -0.07 -2.21 -0.17 0.00 -1.68 0.00 0.00 37.83 33.70 3hbx s LYS 369 CO 0.26 -1.34 1.27 -0.44 -0.76 0.00 0.00 175.35 174.34 3hbx h ASP 370 N -0.61 0.91 -3.36 2.83 3.32 -1.97 -3.45 116.42 114.09 3hbx h ASP 370 Ca -0.43 -0.65 -0.65 0.00 0.02 0.00 0.00 57.03 55.32 3hbx h ASP 370 Cb 1.29 -0.27 -0.15 0.00 0.22 0.00 0.00 39.33 40.42 3hbx h ASP 370 CO 0.53 1.42 -0.74 -1.61 -1.72 0.00 0.00 179.24 177.12 3hbx s GLU 371 N -3.65 2.05 0.00 3.56 0.41 -1.26 -5.02 118.70 114.79 3hbx s GLU 371 Ca -0.11 -1.14 0.00 0.00 -0.41 0.00 0.00 54.97 53.31 3hbx s GLU 371 Cb 0.08 -2.22 0.00 0.00 -1.78 0.00 0.00 34.13 30.21 3hbx s GLU 371 CO 0.90 0.47 0.00 0.41 -0.49 0.00 0.00 175.26 176.55 3hbx n GLY 372 N 0.44 0.51 3.73 -1.39 0.00 -1.26 -4.68 105.19 102.53 3hbx n GLY 372 Ca -0.13 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.69 3.01 -0.91 1.61 1.01 0.22 -4.88 120.40 117.77 3hbx s VAL 373 Ca 0.00 0.77 -0.26 0.00 0.00 0.00 0.00 61.98 62.49 3hbx s VAL 373 Cb 0.00 -3.49 -0.13 0.00 0.00 0.00 0.00 36.38 32.76 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 0.55 1.80 0.28 2.72 0.02 -1.26 -4.81 135.00 134.29 3hbx s PRO 374 Ca 0.63 -0.03 -0.17 0.00 0.02 0.00 0.00 61.00 61.44 3hbx s PRO 374 Cb -0.39 -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 0.63 -0.48 -0.33 0.00 0.00 177.00 172.77 3hbx s LEU 375 N 13.90 -0.00 -0.12 -5.54 0.05 -1.26 -1.48 118.68 124.23 3hbx s LEU 375 Ca 0.83 -0.79 -0.01 0.00 0.05 0.00 0.00 54.13 54.21 3hbx s LEU 375 Cb -0.09 2.37 0.04 0.00 -2.05 0.00 0.00 46.19 46.46 3hbx s LEU 375 CO 0.09 -1.30 -0.01 -0.69 -0.55 0.00 0.00 176.35 173.88 3hbx s VAL 376 N -3.80 0.62 -0.15 1.48 1.01 -0.37 -4.92 120.40 114.27 3hbx s VAL 376 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.93 3hbx s VAL 376 Cb -0.04 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 3hbx s VAL 376 CO 0.08 0.17 -0.07 0.00 0.00 0.00 0.00 175.10 175.28 3hbx s ALA 377 N 1.86 2.85 0.01 5.51 0.00 -1.26 -0.99 121.76 129.74 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 -1.42 0.01 0.00 0.00 0.00 0.00 23.12 21.57 3hbx s ALA 377 CO -0.07 0.22 0.21 -0.59 0.00 0.00 0.00 175.76 175.54 3hbx s PHE 378 N 0.37 -0.02 0.31 0.00 -0.71 -0.12 -0.04 117.98 117.76 3hbx s PHE 378 Ca -0.07 -0.08 0.10 0.00 -1.04 0.00 0.00 56.93 55.84 3hbx s PHE 378 Cb -0.15 0.00 -0.05 0.00 -1.21 0.00 0.00 43.02 41.61 3hbx s PHE 378 CO 0.04 -0.38 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.32 3hbx s SER 379 N -1.67 3.85 -0.09 1.98 0.01 -0.22 -0.08 113.70 117.48 3hbx s SER 379 Ca -0.10 -1.03 -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 -0.09 0.94 -0.76 0.41 0.00 0.00 173.24 173.74 3hbx s LEU 380 N -3.60 4.27 -0.03 2.44 1.43 -1.26 0.22 118.68 122.15 3hbx s LEU 380 Ca 0.32 1.47 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 3hbx s LEU 380 Cb -0.02 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.68 3hbx s LEU 380 CO 0.17 -0.37 1.74 -0.54 0.23 0.00 0.00 176.35 177.58 3hbx s LYS 381 N 1.71 4.17 -0.26 1.70 1.02 -0.33 -3.89 119.74 123.85 3hbx s LYS 381 Ca 0.46 2.30 -0.09 0.00 0.02 0.00 0.00 55.97 58.67 3hbx s LYS 381 Cb -0.18 -4.03 0.01 0.00 -0.52 0.00 0.00 37.83 33.10 3hbx s LYS 381 CO 0.19 -0.88 0.33 -3.47 -0.92 0.00 0.00 175.35 170.60 3hbx n ASP 382 N 7.25 -5.83 -1.80 2.83 2.03 -1.26 -4.86 116.55 114.91 3hbx n ASP 382 Ca 0.18 0.43 -0.10 0.00 0.52 0.00 0.00 54.79 55.82 3hbx n ASP 382 Cb 0.42 -3.82 -0.03 0.00 -0.72 0.00 0.00 41.12 36.98 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 -0.26 5.75 0.00 1.67 7.64 -1.25 -4.60 113.62 122.57 3hbx n SER 383 Ca 0.07 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.26 3hbx n SER 383 Cb 0.25 -1.17 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 0.21 0.10 0.11 0.00 -0.26 0.00 0.00 58.87 59.03 3hbx n SER 384 Cb 0.60 -0.09 0.45 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 -3.59 -0.00 0.29 0.00 3.76 -1.26 -5.03 115.29 109.45 3hbx s HIS 386 Ca 0.01 0.01 0.07 0.00 -0.15 0.00 0.00 55.06 55.00 3hbx s HIS 386 Cb 0.10 -0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.74 3hbx s HIS 386 CO 0.63 -0.05 0.29 0.95 -0.85 0.00 0.00 174.74 175.72 3hbx s THR 387 N -0.20 4.24 0.45 1.30 -4.23 -1.26 -4.62 115.64 111.32 3hbx s THR 387 Ca -0.02 -1.27 0.23 0.00 -1.18 0.00 0.00 61.69 59.44 3hbx s THR 387 Cb -0.02 -3.41 0.26 0.00 1.34 0.00 0.00 72.50 70.67 3hbx s THR 387 CO -0.00 -0.27 2.06 -0.33 -0.54 0.00 0.00 174.62 175.55 3hbx h GLU 388 N 1.28 0.00 -0.35 3.99 3.07 -1.96 -2.13 114.58 118.49 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 1.24 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.14 3hbx h GLU 388 CO 0.59 0.13 -0.07 0.74 -1.40 0.00 0.00 179.01 179.00 3hbx h PHE 389 N 0.00 0.62 -0.58 4.33 -1.00 -1.95 -1.71 116.94 116.66 3hbx h PHE 389 Ca -0.00 -0.09 -0.05 0.00 2.81 0.00 0.00 57.97 60.64 3hbx h PHE 389 Cb 0.29 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 3hbx h PHE 389 CO 0.00 0.65 0.17 0.93 -1.61 0.00 0.00 178.31 178.45 3hbx h GLU 390 N 0.55 0.91 -0.61 1.51 5.08 -1.79 -1.92 114.58 118.31 3hbx h GLU 390 Ca 0.10 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 3hbx h GLU 390 Cb 0.46 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3hbx h GLU 390 CO 0.02 0.83 0.16 0.82 -1.00 0.00 0.00 179.01 179.84 3hbx h ILE 391 N 0.83 1.24 -0.31 3.13 2.04 -1.42 -0.95 117.51 122.06 3hbx h ILE 391 Ca 0.19 -0.86 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 3hbx h ILE 391 Cb 0.30 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3hbx h ILE 391 CO -0.00 0.33 0.14 -1.28 0.00 0.00 0.00 178.15 177.33 3hbx h SER 392 N 0.91 0.42 -0.49 1.72 0.87 -1.04 -2.12 113.55 113.82 3hbx h SER 392 Ca 0.20 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 3hbx h SER 392 Cb 0.31 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.14 3hbx h SER 392 CO -0.00 0.44 0.18 0.44 -0.53 0.00 0.00 176.83 177.36 3hbx h ASP 393 N 0.37 0.69 -0.62 6.23 3.32 -1.13 -2.99 116.42 122.29 3hbx h ASP 393 Ca 0.11 -0.18 0.03 0.00 0.02 0.00 0.00 57.03 57.01 3hbx h ASP 393 Cb 0.14 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.47 3hbx h ASP 393 CO -0.01 0.69 0.37 -0.03 -1.72 0.00 0.00 179.24 178.54 3hbx h MET 394 N 0.66 0.71 0.00 3.56 4.05 -1.03 -2.14 114.93 120.74 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 0.22 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3hbx h MET 394 CO -0.01 0.47 -0.20 -0.07 0.23 0.00 0.00 176.91 177.33 3hbx h LEU 395 N 0.73 0.00 -1.45 3.39 3.38 -1.29 -2.59 115.31 117.48 3hbx h LEU 395 Ca 0.25 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.41 3hbx h LEU 395 Cb 0.04 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.73 3hbx h LEU 395 CO -0.11 0.20 0.59 0.03 0.09 0.00 0.00 178.44 179.23 3hbx h ARG 396 N 0.00 0.46 -0.28 1.13 2.47 -1.24 -0.98 114.38 115.94 3hbx h ARG 396 Ca -0.00 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 3hbx h ARG 396 Cb 0.42 -0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 3hbx h ARG 396 CO 0.03 0.30 0.11 0.00 0.56 0.00 0.00 179.97 180.97 3hbx h ARG 397 N 0.47 0.38 0.00 0.04 3.08 -1.57 -1.28 114.38 115.51 3hbx h ARG 397 Ca 0.46 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3hbx h ARG 397 Cb 1.05 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 31.03 3hbx h ARG 397 CO -0.19 0.32 -0.29 0.66 -1.07 0.00 0.00 179.97 179.40 3hbx n TYR 398 N -4.42 0.59 0.00 3.04 4.02 -0.39 -4.92 117.16 115.07 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 0.13 -0.71 0.00 0.00 -0.02 0.00 0.00 39.34 38.73 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 0.60 3.74 2.72 0.00 -0.48 -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 3.65 -0.40 1.61 0.52 -1.11 -4.79 118.94 116.43 3hbx s TRP 400 Ca 0.00 1.68 -0.04 0.00 0.02 0.00 0.00 56.10 57.75 3hbx s TRP 400 Cb 0.00 -3.23 0.10 0.00 -1.15 0.00 0.00 33.47 29.19 3hbx s TRP 400 CO 0.00 -0.41 0.19 0.42 0.02 0.00 0.00 176.95 177.17 3hbx s ILE 401 N -0.57 3.44 -0.19 2.03 1.01 -0.99 -3.27 121.20 122.67 3hbx s ILE 401 Ca 0.47 -1.84 0.01 0.00 0.00 0.00 0.00 60.65 59.28 3hbx s ILE 401 Cb -0.29 -3.26 0.04 0.00 0.01 0.00 0.00 42.46 38.96 3hbx s ILE 401 CO 0.36 -0.58 -0.10 -0.69 0.00 0.00 0.00 174.94 173.92 3hbx s VAL 402 N 1.21 1.56 0.47 2.92 1.01 -1.26 -1.40 120.40 124.91 3hbx s VAL 402 Ca 0.05 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 60.97 3hbx s VAL 402 Cb -0.23 -1.62 -0.09 0.00 0.00 0.00 0.00 36.38 34.45 3hbx s VAL 402 CO -0.03 0.21 0.94 -2.16 0.00 0.00 0.00 175.10 174.06 3hbx s PRO 403 N 1.44 4.01 0.01 2.72 0.05 -1.26 -4.55 135.00 137.43 3hbx s PRO 403 Ca 0.00 0.93 0.07 0.00 0.05 0.00 0.00 61.00 62.05 3hbx s PRO 403 Cb -0.16 -2.19 -0.02 0.00 0.05 0.00 0.00 34.50 32.18 3hbx s PRO 403 CO -0.09 -0.16 -0.20 0.00 0.05 0.00 0.00 177.00 176.61 3hbx s ALA 404 N -2.44 1.71 -0.09 8.56 0.00 -1.26 -2.60 121.76 125.63 3hbx s ALA 404 Ca 0.59 -0.95 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 3hbx s ALA 404 Cb -0.10 -0.39 0.08 0.00 0.00 0.00 0.00 23.12 22.72 3hbx s ALA 404 CO 0.26 0.40 0.76 1.52 0.00 0.00 0.00 175.76 178.70 3hbx s TYR 405 N -0.62 -0.60 0.15 0.00 -0.85 -0.84 -4.99 117.35 109.60 3hbx s TYR 405 Ca 0.08 1.05 -0.18 0.00 -0.52 0.00 0.00 57.07 57.49 3hbx s TYR 405 Cb -0.08 0.41 -0.07 0.00 0.38 0.00 0.00 41.96 42.60 3hbx s TYR 405 CO 0.00 -0.53 0.62 0.95 -1.52 0.00 0.00 175.55 175.07 3hbx s THR 406 N -1.09 4.70 0.96 -3.49 -4.23 -1.26 -1.56 115.64 109.68 3hbx s THR 406 Ca -0.08 1.14 -0.11 0.00 -1.18 0.00 0.00 61.69 61.46 3hbx s THR 406 Cb -0.00 -3.85 0.17 0.00 1.34 0.00 0.00 72.50 70.16 3hbx s THR 406 CO 0.07 0.35 1.11 -0.04 -0.54 0.00 0.00 174.62 175.57 3hbx s MET 407 N -1.65 0.68 0.72 3.99 1.00 0.06 -4.97 119.30 119.12 3hbx s MET 407 Ca 0.37 1.29 -0.11 0.00 0.00 0.00 0.00 55.69 57.23 3hbx s MET 407 Cb -0.17 -1.71 0.02 0.00 0.00 0.00 0.00 34.83 32.97 3hbx s MET 407 CO 0.20 -2.78 1.09 -2.14 0.00 0.00 0.00 175.02 171.39 3hbx s PRO 408 N -4.65 2.73 0.37 2.03 0.02 -1.26 -3.53 135.00 130.71 3hbx s PRO 408 Ca 0.66 0.55 -0.27 0.00 0.02 0.00 0.00 61.00 61.97 3hbx s PRO 408 Cb -0.22 -2.00 -0.12 0.00 0.02 0.00 0.00 34.50 32.18 3hbx s PRO 408 CO 0.59 -1.14 1.15 -2.30 -0.33 0.00 0.00 177.00 174.97 3hbx n PRO 409 N -3.10 1.73 -2.62 5.54 -0.02 -1.26 -0.53 135.00 134.74 3hbx n PRO 409 Ca 0.07 0.61 -0.39 0.00 -2.02 0.00 0.00 63.50 61.77 3hbx n PRO 409 Cb 0.57 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.90 3hbx n PRO 409 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3hbx n ASN 410 N 0.69 6.94 -1.58 2.55 3.02 0.12 -1.54 115.26 125.47 3hbx n ASN 410 Ca 0.07 -3.70 0.03 0.00 -0.03 0.00 0.00 54.58 50.95 3hbx n ASN 410 Cb 0.37 -1.07 0.05 0.00 -0.61 0.00 0.00 39.78 38.52 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 -0.13 2.65 0.23 5.41 0.00 0.31 -4.38 120.51 124.60 3hbx n ALA 411 Ca 0.45 -2.58 0.07 0.00 0.00 0.00 0.00 53.44 51.38 3hbx n ALA 411 Cb 0.28 -0.69 0.31 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 0.08 0.07 0.00 0.00 6.02 -1.23 -0.98 117.38 121.35 3hbx n GLN 412 Ca 0.09 0.46 0.14 0.00 -0.01 0.00 0.00 57.00 57.69 3hbx n GLN 412 Cb 1.03 -1.68 0.59 0.00 1.02 0.00 0.00 30.24 31.20 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 -1.83 0.00 -3.75 1.08 1.44 -1.26 -4.65 115.22 106.25 3hbx n HIS 413 Ca 0.01 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.35 3hbx n HIS 413 Cb 0.09 -0.06 -0.13 0.00 0.12 0.00 0.00 29.99 30.02 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 -2.18 4.26 -0.11 0.61 -1.09 -0.15 -5.04 121.20 117.49 3hbx s ILE 414 Ca 0.36 -0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.52 3hbx s ILE 414 Cb 0.21 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 38.05 3hbx s ILE 414 CO 0.40 0.29 -0.17 -0.89 -1.23 0.00 0.00 174.94 173.33 3hbx s THR 415 N 1.60 2.68 0.17 2.92 2.01 -1.26 -0.76 115.64 122.99 3hbx s THR 415 Ca 0.06 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.32 3hbx s THR 415 Cb -0.15 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 3hbx s THR 415 CO 0.03 0.54 -0.14 0.68 -0.69 0.00 0.00 174.62 175.05 3hbx s VAL 416 N 0.27 1.53 -0.05 3.82 -7.23 -0.60 -4.49 120.40 113.65 3hbx s VAL 416 Ca -0.12 -2.02 -0.02 0.00 -1.81 0.00 0.00 61.98 58.01 3hbx s VAL 416 Cb -0.16 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 3hbx s VAL 416 CO 0.06 -0.54 0.05 -0.76 -0.31 0.00 0.00 175.10 173.61 3hbx s LEU 417 N -2.98 3.81 -0.05 1.32 1.43 0.88 -1.99 118.68 121.10 3hbx s LEU 417 Ca 0.17 0.18 0.04 0.00 -1.03 0.00 0.00 54.13 53.48 3hbx s LEU 417 Cb -0.02 -2.05 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 -1.30 1.86 -0.23 1.70 3.52 -1.07 -0.95 118.95 122.49 3hbx s ARG 418 Ca 0.18 -0.57 0.01 0.00 -0.13 0.00 0.00 55.73 55.22 3hbx s ARG 418 Cb -0.12 -1.57 0.05 0.00 -1.56 0.00 0.00 34.95 31.76 3hbx s ARG 418 CO 0.08 0.18 -0.09 0.08 -0.81 0.00 0.00 175.30 174.73 3hbx s VAL 419 N 0.24 1.75 -0.10 7.11 1.01 -0.17 -3.99 120.40 126.26 3hbx s VAL 419 Ca -0.08 -1.24 -0.24 0.00 0.00 0.00 0.00 61.98 60.43 3hbx s VAL 419 Cb -0.13 -1.89 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3hbx s VAL 419 CO 0.03 0.04 0.72 -0.69 0.00 0.00 0.00 175.10 175.20 3hbx s VAL 420 N 1.32 5.01 -0.39 2.92 1.01 -0.72 -1.23 120.40 128.32 3hbx s VAL 420 Ca -0.05 1.47 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 3hbx s VAL 420 Cb -0.18 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.16 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 1.15 5.12 0.57 2.22 -1.09 -0.55 -4.84 121.20 123.78 3hbx s ILE 421 Ca 0.37 -0.22 0.08 0.00 -2.23 0.00 0.00 60.65 58.65 3hbx s ILE 421 Cb -0.17 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.81 3hbx s ILE 421 CO 0.17 -0.31 0.66 -0.13 -1.23 0.00 0.00 174.94 174.09 3hbx s ARG 422 N 2.09 2.26 0.28 2.79 0.52 -1.26 -4.78 118.95 120.84 3hbx s ARG 422 Ca 0.12 -1.82 -0.00 0.00 -0.52 0.00 0.00 55.73 53.51 3hbx s ARG 422 Cb -0.17 -2.43 0.50 0.00 0.52 0.00 0.00 34.95 33.37 3hbx s ARG 422 CO 0.13 -0.81 1.85 1.49 0.02 0.00 0.00 175.30 177.98 3hbx h GLU 423 N 0.36 1.04 -0.93 3.54 4.81 -1.97 -2.62 114.58 118.80 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 -0.23 -0.18 0.00 0.63 0.00 0.00 28.75 30.27 3hbx h GLU 423 CO 0.47 0.68 0.37 -0.40 -0.73 0.00 0.00 179.01 179.40 3hbx n ASP 424 N -4.57 3.76 -4.12 1.04 3.85 -1.26 -4.75 116.55 110.50 3hbx n ASP 424 Ca 0.18 -3.06 -0.37 0.00 -0.71 0.00 0.00 54.79 50.82 3hbx n ASP 424 Cb 0.29 -0.72 -0.10 0.00 -1.35 0.00 0.00 41.12 39.24 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 -2.38 3.48 0.86 2.11 5.36 -0.99 -5.09 117.98 121.33 3hbx s PHE 425 Ca 0.41 -2.52 -0.12 0.00 -0.96 0.00 0.00 56.93 53.74 3hbx s PHE 425 Cb 0.34 -3.25 0.11 0.00 -0.34 0.00 0.00 43.02 39.87 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 1.30 4.05 0.39 6.13 1.04 -1.26 -4.86 113.70 120.49 3hbx s SER 426 Ca 0.13 0.80 0.07 0.00 0.48 0.00 0.00 55.95 57.42 3hbx s SER 426 Cb -0.21 -1.27 0.79 0.00 0.10 0.00 0.00 66.02 65.42 3hbx s SER 426 CO -0.04 -2.20 1.99 -0.09 0.98 0.00 0.00 173.24 173.89 3hbx h ARG 427 N -1.26 0.47 -0.43 4.02 9.65 -1.98 -1.74 114.38 123.10 3hbx h ARG 427 Ca -0.47 -0.06 0.03 0.00 -1.10 0.00 0.00 59.98 58.38 3hbx h ARG 427 Cb 1.32 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 3hbx h ARG 427 CO 0.62 0.40 0.23 1.15 2.80 0.00 0.00 179.97 185.17 3hbx h THR 428 N 0.47 0.99 -0.39 0.20 2.02 -2.00 -0.42 112.91 113.78 3hbx h THR 428 Ca 0.12 -0.16 -0.15 0.00 0.77 0.00 0.00 66.41 66.98 3hbx h THR 428 Cb 0.12 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 3hbx h THR 428 CO -0.01 0.08 -0.35 -0.07 0.37 0.00 0.00 175.52 175.54 3hbx h LEU 429 N 0.46 0.99 -0.47 2.58 4.07 -1.83 -2.41 115.31 118.69 3hbx h LEU 429 Ca 0.18 -0.46 0.05 0.00 0.08 0.00 0.00 57.88 57.74 3hbx h LEU 429 Cb 0.07 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 41.49 3hbx h LEU 429 CO -0.12 1.24 0.20 0.00 -1.08 0.00 0.00 178.44 178.69 3hbx h ALA 430 N 0.78 0.58 -0.18 1.53 0.00 -0.89 -0.38 119.26 120.70 3hbx h ALA 430 Ca 0.07 0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3hbx h ALA 430 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3hbx h ALA 430 CO 0.09 -0.17 -0.48 0.93 0.00 0.00 0.00 179.25 179.62 3hbx h GLU 431 N 0.40 0.47 0.00 0.00 5.08 -1.06 -2.61 114.58 116.86 3hbx h GLU 431 Ca 0.21 -0.26 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 3hbx h GLU 431 Cb 0.17 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3hbx h GLU 431 CO -0.19 0.84 -0.40 0.00 -1.00 0.00 0.00 179.01 178.27 3hbx h ARG 432 N 0.37 0.00 -0.21 2.33 3.08 -1.04 -2.56 114.38 116.35 3hbx h ARG 432 Ca 0.02 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 3hbx h ARG 432 Cb 0.97 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3hbx h ARG 432 CO 0.09 0.40 -0.09 1.25 -1.07 0.00 0.00 179.97 180.54 3hbx h LEU 433 N 0.00 0.44 -0.29 3.04 6.46 -0.75 -1.52 115.31 122.69 3hbx h LEU 433 Ca -0.00 -0.40 0.02 0.00 -0.12 0.00 0.00 57.88 57.37 3hbx h LEU 433 Cb 0.74 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 3hbx h LEU 433 CO 0.05 0.75 0.15 0.58 -0.62 0.00 0.00 178.44 179.35 3hbx h VAL 434 N 0.14 1.01 -0.42 1.05 2.07 -1.37 -0.18 116.25 118.54 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 0.58 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3hbx h VAL 434 CO 0.03 0.06 0.24 0.40 0.02 0.00 0.00 177.57 178.31 3hbx h ILE 435 N 0.31 1.01 0.00 4.57 2.04 -1.42 -1.63 117.51 122.40 3hbx h ILE 435 Ca 0.12 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.73 3hbx h ILE 435 Cb 0.02 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 3hbx h ILE 435 CO -0.07 0.09 -0.37 0.44 0.00 0.00 0.00 178.15 178.23 3hbx h ASP 436 N 0.47 0.00 -0.24 1.72 3.32 -0.99 -1.39 116.42 119.32 3hbx h ASP 436 Ca 0.17 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.05 3hbx h ASP 436 Cb 0.04 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.59 3hbx h ASP 436 CO -0.10 0.37 -0.52 0.40 -1.72 0.00 0.00 179.24 177.68 3hbx h ILE 437 N 0.00 1.28 -0.54 0.35 2.04 -0.63 -2.14 117.51 117.87 3hbx h ILE 437 Ca -0.00 -1.71 -0.06 0.00 1.00 0.00 0.00 64.86 64.09 3hbx h ILE 437 Cb 0.81 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.48 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 0.64 0.88 -0.82 2.37 5.08 -0.93 -2.00 114.58 119.80 3hbx h GLU 438 Ca 0.02 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 3hbx h GLU 438 Cb 1.11 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.20 3hbx h GLU 438 CO 0.11 0.84 0.52 0.87 -1.00 0.00 0.00 179.01 180.35 3hbx h LYS 439 N 0.77 0.97 -0.40 2.33 1.57 -1.21 -2.14 116.57 118.46 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 0.37 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3hbx h LYS 439 CO 0.01 0.64 -0.04 0.28 -0.57 0.00 0.00 179.45 179.77 3hbx h VAL 440 N 1.00 1.23 -0.38 0.50 2.07 -1.09 -1.71 116.25 117.87 3hbx h VAL 440 Ca 0.34 -0.98 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3hbx h VAL 440 Cb 0.06 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3hbx h VAL 440 CO -0.13 0.34 -0.18 0.24 0.02 0.00 0.00 177.57 177.86 3hbx h MET 441 N 0.62 0.71 -0.07 1.57 2.86 -0.79 -2.56 114.93 117.27 3hbx h MET 441 Ca 0.12 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.49 3hbx h MET 441 Cb 0.45 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3hbx h MET 441 CO 0.02 0.84 -0.02 0.00 1.06 0.00 0.00 176.91 178.81 3hbx h ARG 442 N 0.63 0.13 -0.46 1.72 3.08 -1.07 -2.07 114.38 116.35 3hbx h ARG 442 Ca 0.10 -0.05 0.13 0.00 0.07 0.00 0.00 59.98 60.23 3hbx h ARG 442 Cb 0.65 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 3hbx h ARG 442 CO 0.05 0.49 0.45 0.93 -1.07 0.00 0.00 179.97 180.81 3hbx h GLU 443 N -0.23 0.00 0.04 0.04 5.08 -1.24 0.44 114.58 118.71 3hbx h GLU 443 Ca 0.02 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.11 3hbx h GLU 443 Cb 0.44 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 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 0.12 0.00 1.33 3.38 -1.18 -3.28 115.31 115.68 3hbx h LEU 444 Ca 0.22 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hbx h LEU 444 Cb 1.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hbx h LEU 444 CO -0.00 1.14 0.00 0.47 0.09 0.00 0.00 178.44 180.13 3hbx n ASP 445 N -3.30 0.00 -1.70 -0.43 8.00 0.14 -2.09 116.55 117.17 3hbx n ASP 445 Ca -0.09 0.50 -0.18 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 3.00 -4.15 -1.24 4.71 -1.20 -5.03 120.64 115.23 3hbx n GLU 446 Ca 0.02 -3.85 -0.10 0.00 -0.01 0.00 0.00 57.16 53.22 3hbx n GLU 446 Cb 0.08 -2.12 -0.10 0.00 -1.01 0.00 0.00 31.44 28.29 3hbx n GLU 446 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3hbx s LEU 447 N -3.52 2.49 0.00 -4.62 1.43 -0.89 -5.08 118.68 108.49 3hbx s LEU 447 Ca 0.49 -1.01 0.20 0.00 -1.03 0.00 0.00 54.13 52.78 3hbx s LEU 447 Cb 0.41 -0.00 1.17 0.00 0.03 0.00 0.00 46.19 47.80 3hbx s LEU 447 CO 0.01 -0.50 1.56 -2.65 0.23 0.00 0.00 176.35 175.00