#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwx s SER 2 N 0.00 4.33 0.08 7.83 0.15 -1.26 -4.86 113.70 119.97 3hwx s SER 2 Ca 0.00 -0.50 -0.13 0.00 0.70 0.00 0.00 55.95 56.01 3hwx s SER 2 Cb 0.00 -2.56 -0.01 0.00 -1.71 0.00 0.00 66.02 61.74 3hwx s SER 2 CO 0.00 -3.58 0.72 0.52 1.20 0.00 0.00 173.24 172.10 3hwx n VAL 3 N 8.44 -0.30 -0.37 4.45 0.31 -1.26 -1.47 118.33 128.13 3hwx n VAL 3 Ca 0.44 1.12 -0.03 0.00 -0.01 0.00 0.00 64.34 65.86 3hwx n VAL 3 Cb 0.45 -1.40 0.01 0.00 -0.91 0.00 0.00 33.84 31.99 3hwx n VAL 3 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3hwx n SER 4 N -4.60 -0.69 0.17 4.52 2.88 -1.20 -0.06 113.62 114.64 3hwx n SER 4 Ca 0.02 1.64 0.04 0.00 -1.33 0.00 0.00 58.87 59.23 3hwx n SER 4 Cb 0.13 -0.34 0.25 0.00 -0.75 0.00 0.00 64.21 63.51 3hwx n SER 4 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hwx h ALA 5 N 1.11 0.92 0.07 -1.46 0.00 -1.56 -2.75 119.26 115.60 3hwx h ALA 5 Ca 0.29 -0.41 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 3hwx h ALA 5 Cb 0.52 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hwx h ALA 5 CO -0.92 0.57 -1.07 0.35 0.00 0.00 0.00 179.25 178.18 3hwx h PHE 6 N 0.00 0.93 -0.30 0.00 3.57 -0.53 -3.06 116.94 117.55 3hwx h PHE 6 Ca -0.00 -0.56 0.03 0.00 3.53 0.00 0.00 57.97 60.96 3hwx h PHE 6 Cb 1.02 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 3hwx h PHE 6 CO 0.00 1.40 -0.21 -0.91 -2.23 0.00 0.00 178.31 176.36 3hwx h ASN 7 N 0.20 -0.75 -0.99 0.41 2.35 -0.36 0.59 115.58 117.04 3hwx h ASN 7 Ca -0.15 0.11 0.41 0.00 -0.55 0.00 0.00 56.30 56.12 3hwx h ASN 7 Cb 1.75 0.33 -0.18 0.00 0.05 0.00 0.00 38.32 40.27 3hwx h ASN 7 CO 0.21 -0.10 0.52 0.54 -1.65 0.00 0.00 177.43 176.95 3hwx n ARG 8 N -3.77 -0.06 -0.02 0.81 1.74 -1.05 -1.29 116.66 113.02 3hwx n ARG 8 Ca 0.00 1.36 -0.16 0.00 -0.77 0.00 0.00 57.85 58.28 3hwx n ARG 8 Cb 0.10 -2.45 -0.14 0.00 -1.02 0.00 0.00 32.46 28.96 3hwx n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hwx h ARG 9 N 0.00 0.12 -0.99 5.56 2.47 -1.09 -0.55 114.38 119.90 3hwx h ARG 9 Ca 0.83 -0.20 0.21 0.00 -1.26 0.00 0.00 59.98 59.56 3hwx h ARG 9 Cb 2.20 0.08 -0.19 0.00 -1.65 0.00 0.00 29.97 30.41 3hwx h ARG 9 CO -0.76 1.10 -0.20 2.35 0.56 0.00 0.00 179.97 183.01 3hwx h TRP 10 N -0.75 -0.44 -0.50 3.04 2.91 0.42 0.46 115.95 121.09 3hwx h TRP 10 Ca -0.06 0.09 -0.08 0.00 1.13 0.00 0.00 58.89 59.96 3hwx h TRP 10 Cb 1.26 0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 30.24 3hwx h TRP 10 CO 0.25 -0.43 -0.02 0.00 -1.03 0.00 0.00 178.44 177.21 3hwx h ALA 11 N 1.99 0.67 0.00 2.65 0.00 -1.11 -2.81 119.26 120.65 3hwx h ALA 11 Ca 0.50 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 55.04 3hwx h ALA 11 Cb 0.81 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hwx h ALA 11 CO -1.00 0.50 -0.34 0.00 0.00 0.00 0.00 179.25 178.40 3hwx h ALA 12 N 0.92 1.39 -0.12 0.00 0.00 0.72 -1.17 119.26 121.00 3hwx h ALA 12 Ca 0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 3hwx h ALA 12 Cb 0.55 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hwx h ALA 12 CO 0.03 0.43 -0.06 0.28 0.00 0.00 0.00 179.25 179.92 3hwx h VAL 13 N 0.00 1.33 0.08 0.00 2.07 -1.01 -1.73 116.25 117.00 3hwx h VAL 13 Ca -0.00 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.41 3hwx h VAL 13 Cb 0.62 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3hwx h VAL 13 CO 0.04 0.32 -0.37 0.40 0.02 0.00 0.00 177.57 177.99 3hwx h ILE 14 N -0.11 0.00 -0.86 4.57 2.04 -1.19 1.00 117.51 122.95 3hwx h ILE 14 Ca 0.02 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.04 3hwx h ILE 14 Cb 0.53 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.52 3hwx h ILE 14 CO 0.02 0.00 0.43 -0.07 0.00 0.00 0.00 178.15 178.53 3hwx h LEU 15 N -0.52 0.49 -0.29 1.44 4.07 -1.26 -1.77 115.31 117.47 3hwx h LEU 15 Ca -0.00 0.10 -0.11 0.00 0.08 0.00 0.00 57.88 57.95 3hwx h LEU 15 Cb 0.52 0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.29 3hwx h LEU 15 CO -0.20 0.18 -0.23 -0.08 -1.08 0.00 0.00 178.44 177.04 3hwx h GLU 16 N 0.59 0.67 -1.02 1.13 4.57 -0.98 -2.24 114.58 117.31 3hwx h GLU 16 Ca 0.48 -0.33 0.26 0.00 -1.18 0.00 0.00 59.36 58.58 3hwx h GLU 16 Cb 0.72 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 29.19 3hwx h GLU 16 CO -0.39 0.94 0.62 0.00 -1.18 0.00 0.00 179.01 179.00 3hwx h ALA 17 N 0.72 1.95 -0.22 2.92 0.00 0.06 -0.67 119.26 124.02 3hwx h ALA 17 Ca 0.05 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 3hwx h ALA 17 Cb 0.78 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3hwx h ALA 17 CO 0.06 -0.41 0.03 -0.07 0.00 0.00 0.00 179.25 178.86 3hwx h LEU 18 N 0.51 0.36 -0.97 0.00 3.38 -0.94 -2.92 115.31 114.73 3hwx h LEU 18 Ca 0.64 -0.27 0.39 0.00 0.09 0.00 0.00 57.88 58.73 3hwx h LEU 18 Cb 1.35 -0.09 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 3hwx h LEU 18 CO -0.43 0.53 0.56 0.41 0.09 0.00 0.00 178.44 179.61 3hwx n THR 19 N -4.71 -0.33 0.22 0.22 -1.04 -0.26 -0.33 114.28 108.04 3hwx n THR 19 Ca -0.04 1.75 0.07 0.00 -2.04 0.00 0.00 64.05 63.79 3hwx n THR 19 Cb 0.20 -2.85 0.50 0.00 -1.82 0.00 0.00 70.33 66.37 3hwx n THR 19 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3hwx h ARG 20 N 0.00 0.00 -1.00 -2.82 2.47 -1.56 -3.09 114.38 108.37 3hwx h ARG 20 Ca 0.76 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 59.01 3hwx h ARG 20 Cb 2.13 0.00 -0.28 0.00 -1.65 0.00 0.00 29.97 30.18 3hwx h ARG 20 CO -0.61 0.26 0.59 0.72 0.56 0.00 0.00 179.97 181.49 3hwx n HIS 21 N -3.82 2.75 -1.07 3.04 8.25 0.55 -4.59 115.22 120.33 3hwx n HIS 21 Ca -0.02 -1.73 -0.02 0.00 -0.26 0.00 0.00 57.72 55.69 3hwx n HIS 21 Cb 0.35 -0.89 -0.01 0.00 1.12 0.00 0.00 29.99 30.56 3hwx n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hwx n GLY 22 N -0.97 0.56 3.62 -1.41 0.00 -1.17 -4.56 105.19 101.27 3hwx n GLY 22 Ca 0.54 -0.95 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 3hwx n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hwx s VAL 23 N -2.09 4.17 -0.10 1.61 1.01 -1.24 -4.30 120.40 119.46 3hwx s VAL 23 Ca 0.00 1.30 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 3hwx s VAL 23 Cb 0.00 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.08 3hwx s VAL 23 CO 0.00 -0.58 -0.23 -1.14 0.00 0.00 0.00 175.10 173.16 3hwx n ARG 24 N 7.41 0.35 -2.74 2.72 3.00 -1.26 -4.56 116.66 121.58 3hwx n ARG 24 Ca 0.14 0.14 -0.40 0.00 -0.00 0.00 0.00 57.85 57.73 3hwx n ARG 24 Cb 0.47 -1.11 -0.05 0.00 0.00 0.00 0.00 32.46 31.77 3hwx n ARG 24 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3hwx s HIS 25 N -2.53 3.91 -0.04 -0.14 3.76 -1.26 -1.97 115.29 117.01 3hwx s HIS 25 Ca -0.20 1.87 -0.02 0.00 -0.15 0.00 0.00 55.06 56.56 3hwx s HIS 25 Cb 0.04 -3.01 0.03 0.00 1.11 0.00 0.00 32.58 30.75 3hwx s HIS 25 CO 0.29 0.34 0.10 -1.50 -0.85 0.00 0.00 174.74 173.12 3hwx s ILE 26 N -0.67 -0.05 -0.16 0.60 2.07 -0.88 -0.83 121.20 121.27 3hwx s ILE 26 Ca 0.44 0.17 0.01 0.00 -1.41 0.00 0.00 60.65 59.85 3hwx s ILE 26 Cb -0.25 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.18 3hwx s ILE 26 CO 0.31 0.07 -0.17 0.00 -1.91 0.00 0.00 174.94 173.24 3hwx s ILE 28 N 1.02 1.97 0.20 0.00 1.01 0.68 -0.85 121.20 125.23 3hwx s ILE 28 Ca -0.02 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.74 3hwx s ILE 28 Cb -0.15 -1.74 -0.03 0.00 0.01 0.00 0.00 42.46 40.55 3hwx s ILE 28 CO -0.05 0.53 0.30 0.00 0.00 0.00 0.00 174.94 175.72 3hwx s ALA 29 N 0.78 3.89 0.30 9.38 0.00 -0.87 -2.61 121.76 132.62 3hwx s ALA 29 Ca -0.08 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.57 3hwx s ALA 29 Cb -0.16 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.19 3hwx s ALA 29 CO -0.01 0.38 0.70 -1.25 0.00 0.00 0.00 175.76 175.59 3hwx s PRO 30 N -3.59 3.97 -0.02 0.00 0.04 -1.26 -4.65 135.00 129.49 3hwx s PRO 30 Ca 0.34 0.60 -0.30 0.00 0.04 0.00 0.00 61.00 61.68 3hwx s PRO 30 Cb -0.10 -2.49 0.12 0.00 0.04 0.00 0.00 34.50 32.07 3hwx s PRO 30 CO 0.28 0.20 1.30 0.20 0.04 0.00 0.00 177.00 179.01 3hwx s GLY 31 N -2.26 -0.37 -0.24 0.56 0.00 -1.26 -4.69 107.32 99.06 3hwx s GLY 31 Ca 0.52 0.59 -0.02 0.00 0.00 0.00 0.00 44.72 45.81 3hwx s GLY 31 CO 0.18 1.13 -0.24 -1.26 0.00 0.00 0.00 173.10 172.91 3hwx n SER 32 N -0.60 2.05 0.03 1.64 2.88 -1.26 -4.38 113.62 113.98 3hwx n SER 32 Ca -0.07 -0.01 0.04 0.00 -1.33 0.00 0.00 58.87 57.51 3hwx n SER 32 Cb 0.62 -0.48 0.20 0.00 -0.75 0.00 0.00 64.21 63.81 3hwx n SER 32 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 3hwx n ARG 33 N -3.45 0.03 -0.56 -1.46 3.00 -1.26 -1.66 116.66 111.30 3hwx n ARG 33 Ca -0.44 0.44 0.10 0.00 -0.00 0.00 0.00 57.85 57.95 3hwx n ARG 33 Cb 0.92 -1.59 0.36 0.00 0.00 0.00 0.00 32.46 32.15 3hwx n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hwx n SER 34 N -1.65 4.59 0.27 6.15 3.41 -1.26 -4.69 113.62 120.43 3hwx n SER 34 Ca 0.01 -2.32 -0.17 0.00 -0.26 0.00 0.00 58.87 56.13 3hwx n SER 34 Cb 0.07 -0.56 -0.10 0.00 -0.26 0.00 0.00 64.21 63.36 3hwx n SER 34 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3hwx h THR 35 N 4.23 0.00 -0.00 6.66 2.02 -1.53 0.69 112.91 124.98 3hwx h THR 35 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.03 3hwx h THR 35 Cb 1.34 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3hwx h THR 35 CO 0.17 0.00 -0.72 0.17 0.37 0.00 0.00 175.52 175.51 3hwx h LEU 36 N -0.95 0.01 -0.47 2.58 -0.00 -1.85 0.41 115.31 115.04 3hwx h LEU 36 Ca -0.06 -0.01 0.10 0.00 -0.00 0.00 0.00 57.88 57.91 3hwx h LEU 36 Cb 0.83 -0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 41.39 3hwx h LEU 36 CO -0.08 0.73 -0.22 -0.07 -0.00 0.00 0.00 178.44 178.80 3hwx h LEU 37 N 0.01 -0.74 -0.31 0.17 3.38 -1.85 -0.20 115.31 115.77 3hwx h LEU 37 Ca -0.01 0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.93 3hwx h LEU 37 Cb 1.28 0.40 0.00 0.00 0.09 0.00 0.00 40.66 42.43 3hwx h LEU 37 CO 0.09 -0.24 -0.77 0.74 0.09 0.00 0.00 178.44 178.35 3hwx h THR 38 N -0.12 1.35 0.81 0.22 2.02 0.08 -0.92 112.91 116.36 3hwx h THR 38 Ca 0.22 -2.14 -0.04 0.00 0.77 0.00 0.00 66.41 65.22 3hwx h THR 38 Cb 0.46 2.12 0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3hwx h THR 38 CO -0.54 0.65 -0.39 -0.07 0.37 0.00 0.00 175.52 175.54 3hwx h LEU 39 N 0.34 -0.92 -0.88 2.58 4.07 -0.05 0.18 115.31 120.63 3hwx h LEU 39 Ca -0.04 0.03 0.17 0.00 0.08 0.00 0.00 57.88 58.12 3hwx h LEU 39 Cb 1.37 0.24 -0.10 0.00 1.08 0.00 0.00 40.66 43.24 3hwx h LEU 39 CO 0.14 -0.57 0.45 0.00 -1.08 0.00 0.00 178.44 177.38 3hwx h ALA 40 N -1.33 1.38 -0.84 1.53 0.00 -1.07 0.44 119.26 119.37 3hwx h ALA 40 Ca -0.11 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3hwx h ALA 40 Cb 0.83 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3hwx h ALA 40 CO 0.18 -0.15 0.43 0.00 0.00 0.00 0.00 179.25 179.72 3hwx h ALA 41 N 1.61 1.08 -0.02 0.00 0.00 -1.09 -2.72 119.26 118.12 3hwx h ALA 41 Ca 0.51 -0.15 -0.18 0.00 0.00 0.00 0.00 54.91 55.09 3hwx h ALA 41 Cb 0.79 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hwx h ALA 41 CO -0.41 0.62 -0.77 0.00 0.00 0.00 0.00 179.25 178.69 3hwx h ALA 42 N 1.23 0.65 0.00 0.00 0.00 0.29 -3.05 119.26 118.38 3hwx h ALA 42 Ca 0.29 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 3hwx h ALA 42 Cb 0.08 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hwx h ALA 42 CO -0.04 0.85 -0.11 0.93 0.00 0.00 0.00 179.25 180.88 3hwx h GLU 43 N 0.13 0.00 -5.99 0.00 5.08 -0.73 -3.43 114.58 109.64 3hwx h GLU 43 Ca -0.03 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.74 3hwx h GLU 43 Cb 1.35 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.52 3hwx h GLU 43 CO 0.12 0.11 0.59 1.21 -1.00 0.00 0.00 179.01 180.03 3hwx s ASN 44 N -6.20 6.78 0.00 1.42 3.84 -1.03 -4.93 114.94 114.83 3hwx s ASN 44 Ca 0.05 0.83 0.28 0.00 0.21 0.00 0.00 52.86 54.24 3hwx s ASN 44 Cb 0.06 -2.46 1.56 0.00 -0.55 0.00 0.00 41.25 39.86 3hwx s ASN 44 CO 0.67 -0.72 2.02 -1.54 -2.79 0.00 0.00 177.10 174.74 3hwx n SER 45 N 6.47 0.34 0.11 -4.21 3.41 -1.26 -3.73 113.62 114.75 3hwx n SER 45 Ca 0.07 -1.20 0.10 0.00 -0.26 0.00 0.00 58.87 57.59 3hwx n SER 45 Cb 0.48 -0.01 0.45 0.00 -0.26 0.00 0.00 64.21 64.87 3hwx n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n ALA 46 N -0.70 1.44 -2.54 7.33 0.00 -1.26 -4.87 120.51 119.90 3hwx n ALA 46 Ca 0.21 0.09 -0.30 0.00 0.00 0.00 0.00 53.44 53.44 3hwx n ALA 46 Cb 0.15 -1.32 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 3hwx n ALA 46 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3hwx s PHE 47 N -3.31 2.67 -0.16 0.00 0.08 -1.24 -4.75 117.98 111.26 3hwx s PHE 47 Ca 0.02 -0.19 -0.19 0.00 0.12 0.00 0.00 56.93 56.69 3hwx s PHE 47 Cb 0.08 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 41.09 3hwx s PHE 47 CO 0.29 0.41 0.51 0.42 -0.10 0.00 0.00 175.22 176.75 3hwx s ILE 48 N -1.18 5.14 -0.19 0.64 1.01 -0.83 -5.01 121.20 120.77 3hwx s ILE 48 Ca 0.20 0.98 -0.06 0.00 0.00 0.00 0.00 60.65 61.77 3hwx s ILE 48 Cb -0.11 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3hwx s ILE 48 CO 0.12 0.24 0.02 -1.00 0.00 0.00 0.00 174.94 174.32 3hwx s HIS 49 N 1.20 3.10 0.02 3.97 3.76 -1.26 -2.07 115.29 124.02 3hwx s HIS 49 Ca 0.25 -0.25 0.08 0.00 -0.15 0.00 0.00 55.06 55.00 3hwx s HIS 49 Cb -0.15 -2.08 -0.03 0.00 1.11 0.00 0.00 32.58 31.43 3hwx s HIS 49 CO 0.10 -0.09 -0.24 -1.01 -0.85 0.00 0.00 174.74 172.65 3hwx s HIS 50 N 0.76 2.39 0.18 1.40 3.76 -0.75 -5.02 115.29 118.01 3hwx s HIS 50 Ca 0.01 -0.37 0.10 0.00 -0.15 0.00 0.00 55.06 54.65 3hwx s HIS 50 Cb -0.14 -1.44 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 3hwx s HIS 50 CO 0.02 0.12 -0.22 0.95 -0.85 0.00 0.00 174.74 174.76 3hwx s THR 51 N -0.78 2.16 -0.08 1.30 -4.23 -1.26 -0.23 115.64 112.52 3hwx s THR 51 Ca 0.12 -1.96 -0.30 0.00 -1.18 0.00 0.00 61.69 58.37 3hwx s THR 51 Cb -0.10 -2.01 0.10 0.00 1.34 0.00 0.00 72.50 71.83 3hwx s THR 51 CO 0.02 -0.16 0.85 -2.28 -0.54 0.00 0.00 174.62 172.51 3hwx s HIS 52 N -1.73 -0.48 -0.10 3.99 5.04 -1.07 -4.92 115.29 116.03 3hwx s HIS 52 Ca 0.18 0.73 0.16 0.00 -1.54 0.00 0.00 55.06 54.59 3hwx s HIS 52 Cb -0.07 0.46 -0.17 0.00 0.04 0.00 0.00 32.58 32.83 3hwx s HIS 52 CO 0.08 -0.49 0.74 1.97 -2.34 0.00 0.00 174.74 174.70 3hwx n PHE 53 N 0.59 0.93 -3.28 3.88 1.16 -1.26 -4.19 117.46 115.28 3hwx n PHE 53 Ca -0.13 0.32 -0.41 0.00 -1.87 0.00 0.00 57.45 55.35 3hwx n PHE 53 Cb 0.59 -1.10 -0.08 0.00 -1.61 0.00 0.00 39.48 37.27 3hwx n PHE 53 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3hwx s ASP 54 N -5.83 6.28 0.14 5.98 -1.08 -1.26 -4.90 116.67 116.00 3hwx s ASP 54 Ca -0.04 -0.08 -0.12 0.00 -0.52 0.00 0.00 52.55 51.79 3hwx s ASP 54 Cb 0.08 -2.25 -0.00 0.00 -1.46 0.00 0.00 42.92 39.29 3hwx s ASP 54 CO 0.82 -0.45 1.56 -0.33 0.52 0.00 0.00 175.17 177.29 3hwx h GLU 55 N 8.46 0.88 -0.54 4.34 3.07 -1.87 0.16 114.58 129.07 3hwx h GLU 55 Ca -0.28 -0.33 0.08 0.00 -0.50 0.00 0.00 59.36 58.33 3hwx h GLU 55 Cb 1.13 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.92 3hwx h GLU 55 CO 0.75 0.97 0.17 -0.09 -1.40 0.00 0.00 179.01 179.41 3hwx h ARG 56 N 0.71 0.32 -0.58 2.33 2.43 -1.87 0.17 114.38 117.89 3hwx h ARG 56 Ca 0.12 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 3hwx h ARG 56 Cb 0.64 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.09 3hwx h ARG 56 CO 0.04 0.21 0.24 0.78 -1.51 0.00 0.00 179.97 179.74 3hwx h GLY 57 N 0.33 0.89 0.76 2.80 0.00 -1.75 -2.97 103.07 103.12 3hwx h GLY 57 Ca 0.27 -0.44 0.03 0.00 0.00 0.00 0.00 47.33 47.19 3hwx h GLY 57 CO -0.30 0.42 0.09 -2.00 0.00 0.00 0.00 176.54 174.75 3hwx h LEU 58 N 0.82 0.09 -1.58 3.11 5.85 0.11 0.13 115.31 123.84 3hwx h LEU 58 Ca 0.20 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 3hwx h LEU 58 Cb 0.14 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3hwx h LEU 58 CO -0.02 0.09 -0.07 1.23 -0.34 0.00 0.00 178.44 179.32 3hwx h GLY 59 N 0.21 0.19 0.90 3.75 0.00 -0.66 -0.80 103.07 106.66 3hwx h GLY 59 Ca 0.12 -0.10 -0.21 0.00 0.00 0.00 0.00 47.33 47.15 3hwx h GLY 59 CO -0.13 0.09 -0.86 0.45 0.00 0.00 0.00 176.54 176.09 3hwx h HIS 60 N 0.17 0.72 -0.50 5.60 3.86 -1.30 -1.22 115.15 122.48 3hwx h HIS 60 Ca 0.04 -0.45 0.09 0.00 -1.16 0.00 0.00 60.37 58.89 3hwx h HIS 60 Cb 0.25 -0.06 -0.10 0.00 1.06 0.00 0.00 27.41 28.55 3hwx h HIS 60 CO 0.00 1.30 -0.34 1.25 0.86 0.00 0.00 177.93 181.00 3hwx h LEU 61 N -0.05 -1.16 -0.23 2.43 5.85 -0.36 0.88 115.31 122.68 3hwx h LEU 61 Ca -0.13 0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.86 3hwx h LEU 61 Cb 1.59 0.55 -0.06 0.00 0.37 0.00 0.00 40.66 43.11 3hwx h LEU 61 CO 0.17 -0.31 -0.20 0.00 -0.34 0.00 0.00 178.44 177.75 3hwx h ALA 62 N 0.86 -0.06 -0.27 1.25 0.00 -1.14 -2.21 119.26 117.68 3hwx h ALA 62 Ca 0.20 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.24 3hwx h ALA 62 Cb 0.55 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 18.68 3hwx h ALA 62 CO -0.62 -0.62 -0.45 1.25 0.00 0.00 0.00 179.25 178.81 3hwx h LEU 63 N -0.20 -1.47 -0.99 0.00 5.85 -0.08 0.21 115.31 118.63 3hwx h LEU 63 Ca 0.13 0.20 0.33 0.00 0.84 0.00 0.00 57.88 59.38 3hwx h LEU 63 Cb 0.40 0.61 -0.18 0.00 0.37 0.00 0.00 40.66 41.87 3hwx h LEU 63 CO -0.35 -0.41 0.26 1.23 -0.34 0.00 0.00 178.44 178.84 3hwx h GLY 64 N -0.43 1.69 1.32 3.75 0.00 0.12 0.18 103.07 109.71 3hwx h GLY 64 Ca 0.10 0.01 -0.32 0.00 0.00 0.00 0.00 47.33 47.12 3hwx h GLY 64 CO -0.50 -0.62 -1.38 1.41 0.00 0.00 0.00 176.54 175.46 3hwx h LEU 65 N 0.03 0.79 -0.74 3.11 3.38 -0.49 -2.81 115.31 118.59 3hwx h LEU 65 Ca 0.70 -0.81 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3hwx h LEU 65 Cb 1.64 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3hwx h LEU 65 CO -0.83 1.62 -0.39 0.00 0.09 0.00 0.00 178.44 178.93 3hwx h ALA 66 N 0.27 0.91 0.71 1.53 0.00 0.64 -0.63 119.26 122.69 3hwx h ALA 66 Ca -0.22 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3hwx h ALA 66 Cb 2.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.74 3hwx h ALA 66 CO 0.25 0.63 -0.43 -0.22 0.00 0.00 0.00 179.25 179.48 3hwx h LYS 67 N 0.42 -1.03 0.19 0.00 3.64 -0.53 -1.62 116.57 117.65 3hwx h LYS 67 Ca 0.04 0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 3hwx h LYS 67 Cb 0.87 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3hwx h LYS 67 CO 0.07 -0.69 -0.09 0.28 -2.27 0.00 0.00 179.45 176.75 3hwx h VAL 68 N -1.07 0.00 0.00 2.00 2.07 -1.55 -3.35 116.25 114.36 3hwx h VAL 68 Ca -0.10 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.41 3hwx h VAL 68 Cb 0.86 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hwx h VAL 68 CO 0.10 0.00 -0.06 0.77 0.02 0.00 0.00 177.57 178.40 3hwx h SER 69 N -0.26 0.00 0.00 0.57 4.64 -1.16 -3.45 113.55 113.89 3hwx h SER 69 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 3hwx h SER 69 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 3hwx h SER 69 CO 0.04 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 3hwx n LYS 70 N -3.75 0.00 -2.25 4.77 4.76 -0.61 -4.98 118.16 116.11 3hwx n LYS 70 Ca -0.02 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.16 3hwx n LYS 70 Cb 0.16 -2.98 0.06 0.00 -1.84 0.00 0.00 35.03 30.43 3hwx n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hwx s GLN 71 N -0.26 2.30 0.32 1.97 -0.21 -1.26 -4.99 119.66 117.53 3hwx s GLN 71 Ca 0.00 -0.26 -0.19 0.00 0.02 0.00 0.00 55.36 54.93 3hwx s GLN 71 Cb 0.00 -2.20 -0.09 0.00 1.00 0.00 0.00 33.01 31.72 3hwx s GLN 71 CO 0.00 -1.15 0.81 -1.25 -2.12 0.00 0.00 175.29 171.59 3hwx s PRO 72 N -5.19 4.22 -0.08 2.91 0.04 -1.26 -4.44 135.00 131.20 3hwx s PRO 72 Ca 0.59 0.93 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3hwx s PRO 72 Cb -0.11 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 3hwx s PRO 72 CO 0.44 0.20 -0.15 0.08 0.04 0.00 0.00 177.00 177.61 3hwx s VAL 73 N -1.84 2.93 0.36 -0.36 1.01 0.40 -4.22 120.40 118.68 3hwx s VAL 73 Ca 0.52 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.78 3hwx s VAL 73 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3hwx s VAL 73 CO 0.18 0.57 0.55 0.00 0.00 0.00 0.00 175.10 176.40 3hwx s ALA 74 N -0.29 3.83 -0.17 5.51 0.00 -0.01 0.36 121.76 130.99 3hwx s ALA 74 Ca 0.02 -1.08 -0.10 0.00 0.00 0.00 0.00 51.96 50.79 3hwx s ALA 74 Cb -0.13 -2.00 0.05 0.00 0.00 0.00 0.00 23.12 21.04 3hwx s ALA 74 CO 0.03 -0.10 0.41 0.08 0.00 0.00 0.00 175.76 176.18 3hwx s VAL 75 N -2.32 -0.02 -0.14 0.00 1.01 -0.33 -0.54 120.40 118.06 3hwx s VAL 75 Ca 0.42 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.50 3hwx s VAL 75 Cb -0.10 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.69 3hwx s VAL 75 CO 0.35 0.03 -0.21 -0.63 0.00 0.00 0.00 175.10 174.64 3hwx s ILE 76 N 1.11 2.22 0.16 2.22 1.01 -0.03 -0.60 121.20 127.28 3hwx s ILE 76 Ca -0.07 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.69 3hwx s ILE 76 Cb -0.07 -1.89 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3hwx s ILE 76 CO -0.09 0.54 -0.09 0.68 0.00 0.00 0.00 174.94 175.98 3hwx s VAL 77 N 0.72 1.15 0.95 2.92 -7.23 -0.71 -2.06 120.40 116.13 3hwx s VAL 77 Ca -0.09 -2.06 -0.15 0.00 -1.81 0.00 0.00 61.98 57.88 3hwx s VAL 77 Cb -0.16 -1.90 0.17 0.00 0.56 0.00 0.00 36.38 35.05 3hwx s VAL 77 CO 0.01 -0.70 1.22 0.28 -0.31 0.00 0.00 175.10 175.59 3hwx s THR 78 N -3.34 1.95 1.29 5.32 -1.32 -1.26 -1.88 115.64 116.39 3hwx s THR 78 Ca 0.18 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.46 3hwx s THR 78 Cb 0.03 -2.87 0.32 0.00 -1.51 0.00 0.00 72.50 68.46 3hwx s THR 78 CO 0.01 0.00 1.03 -0.94 -2.21 0.00 0.00 174.62 172.51 3hwx s SER 79 N -4.48 0.14 0.00 8.08 1.04 -1.13 -4.18 113.70 113.16 3hwx s SER 79 Ca 0.68 0.81 0.00 0.00 0.48 0.00 0.00 55.95 57.92 3hwx s SER 79 Cb -0.09 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 64.88 3hwx s SER 79 CO 0.53 -4.62 0.00 0.61 0.98 0.00 0.00 173.24 170.73 3hwx n GLY 80 N 0.15 -1.68 0.24 7.32 0.00 -1.25 -4.11 105.19 105.85 3hwx n GLY 80 Ca 0.12 -1.59 0.16 0.00 0.00 0.00 0.00 46.02 44.71 3hwx n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hwx h THR 81 N 0.00 0.00 -0.95 2.61 1.35 -1.93 -2.27 112.91 111.72 3hwx h THR 81 Ca 0.00 -0.13 0.20 0.00 -0.55 0.00 0.00 66.41 65.92 3hwx h THR 81 Cb 0.00 0.93 -0.08 0.00 -1.73 0.00 0.00 68.15 67.26 3hwx h THR 81 CO 0.00 0.00 0.61 0.00 -0.25 0.00 0.00 175.52 175.88 3hwx h ALA 82 N 2.05 2.00 -0.00 6.62 0.00 -1.83 -1.19 119.26 126.90 3hwx h ALA 82 Ca 0.00 0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.73 3hwx h ALA 82 Cb 0.16 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hwx h ALA 82 CO 0.00 -0.32 -0.86 0.28 0.00 0.00 0.00 179.25 178.35 3hwx h VAL 83 N 0.55 1.34 0.00 0.00 2.07 -1.57 -3.23 116.25 115.41 3hwx h VAL 83 Ca 0.52 -2.17 -0.03 0.00 0.82 0.00 0.00 66.70 65.83 3hwx h VAL 83 Cb 1.07 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 3hwx h VAL 83 CO -0.26 0.66 -0.16 0.00 0.02 0.00 0.00 177.57 177.83 3hwx h ALA 84 N 0.37 1.17 0.00 1.67 0.00 -1.36 -2.46 119.26 118.65 3hwx h ALA 84 Ca -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hwx h ALA 84 Cb 1.53 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 3hwx h ALA 84 CO 0.17 0.20 -0.02 -0.91 0.00 0.00 0.00 179.25 178.69 3hwx h ASN 85 N 0.00 0.00 0.78 0.00 2.35 -1.31 -2.69 115.58 114.71 3hwx h ASN 85 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hwx h ASN 85 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3hwx h ASN 85 CO 0.02 0.02 0.00 -0.07 -1.65 0.00 0.00 177.43 175.75 3hwx h LEU 86 N 0.00 0.00 -0.63 1.61 3.38 -1.56 -3.25 115.31 114.86 3hwx h LEU 86 Ca -0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hwx h LEU 86 Cb 0.44 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 3hwx h LEU 86 CO 0.00 0.00 0.35 0.22 0.09 0.00 0.00 178.44 179.10 3hwx h TYR 87 N 0.00 0.64 0.11 1.13 5.03 -1.65 -2.35 116.97 119.87 3hwx h TYR 87 Ca 0.00 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.34 3hwx h TYR 87 Cb 0.39 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.46 3hwx h TYR 87 CO 0.00 0.31 -0.24 -1.35 -1.32 0.00 0.00 178.16 175.56 3hwx h PRO 88 N 0.65 -0.37 -0.56 1.82 0.11 -1.84 -0.56 132.00 131.24 3hwx h PRO 88 Ca 0.28 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.51 3hwx h PRO 88 Cb 0.16 0.08 -0.11 0.00 0.11 0.00 0.00 31.00 31.25 3hwx h PRO 88 CO -0.17 -0.25 -0.36 0.00 -0.21 0.00 0.00 178.00 177.01 3hwx h ALA 89 N -1.17 -0.13 -0.12 -0.75 0.00 -1.79 -0.72 119.26 114.58 3hwx h ALA 89 Ca -0.01 0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.07 3hwx h ALA 89 Cb 0.37 0.82 -0.06 0.00 0.00 0.00 0.00 17.79 18.92 3hwx h ALA 89 CO -0.10 -0.72 -0.47 1.25 0.00 0.00 0.00 179.25 179.21 3hwx h LEU 90 N -0.19 -1.48 -0.93 0.00 5.85 -1.29 0.15 115.31 117.42 3hwx h LEU 90 Ca 0.21 0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.26 3hwx h LEU 90 Cb 0.55 0.58 -0.16 0.00 0.37 0.00 0.00 40.66 42.01 3hwx h LEU 90 CO -0.67 -0.42 -0.35 0.40 -0.34 0.00 0.00 178.44 177.07 3hwx h ILE 91 N -0.50 0.04 -0.81 4.05 2.04 -0.12 0.34 117.51 122.55 3hwx h ILE 91 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 3hwx h ILE 91 Cb 0.58 0.04 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 3hwx h ILE 91 CO -0.38 0.00 0.47 -0.08 0.00 0.00 0.00 178.15 178.17 3hwx h GLU 92 N -0.02 1.10 0.00 2.37 4.57 -0.51 -0.70 114.58 121.39 3hwx h GLU 92 Ca 0.35 -0.11 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 3hwx h GLU 92 Cb 0.61 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 3hwx h GLU 92 CO -0.94 0.79 -0.08 0.00 -1.18 0.00 0.00 179.01 177.59 3hwx h ALA 93 N 1.25 1.50 0.00 2.92 0.00 0.24 0.60 119.26 125.77 3hwx h ALA 93 Ca 0.29 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 3hwx h ALA 93 Cb -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3hwx h ALA 93 CO -0.05 0.10 -0.72 0.78 0.00 0.00 0.00 179.25 179.36 3hwx h GLY 94 N 0.44 0.00 0.56 0.00 0.00 0.74 0.07 103.07 104.88 3hwx h GLY 94 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3hwx h GLY 94 CO 0.01 0.00 -2.03 1.04 0.00 0.00 0.00 176.54 175.57 3hwx n LEU 95 N -3.57 1.66 -0.06 3.11 4.77 -0.79 -4.56 117.00 117.55 3hwx n LEU 95 Ca -0.00 0.20 -0.05 0.00 -0.03 0.00 0.00 56.01 56.12 3hwx n LEU 95 Cb 0.73 -0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 41.28 3hwx n LEU 95 CO 0.43 0.65 -0.95 0.35 -1.33 0.00 0.00 177.39 176.54 3hwx n THR 96 N -3.18 1.15 0.00 -5.08 -2.24 0.14 -4.99 114.28 100.07 3hwx n THR 96 Ca -0.29 -0.77 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 3hwx n THR 96 Cb 1.06 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3hwx n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 97 N 1.61 1.58 3.55 3.38 0.00 0.01 -5.01 105.19 110.31 3hwx n GLY 97 Ca -0.24 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.24 3hwx n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hwx n GLU 98 N -0.07 0.69 -3.05 1.61 4.71 -1.24 -2.09 120.64 121.21 3hwx n GLU 98 Ca 0.00 0.25 -0.43 0.00 -0.01 0.00 0.00 57.16 56.96 3hwx n GLU 98 Cb 0.00 -1.79 -0.06 0.00 -1.01 0.00 0.00 31.44 28.59 3hwx n GLU 98 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3hwx s LYS 99 N 0.11 3.20 -0.34 3.49 1.02 -1.26 -3.27 119.74 122.69 3hwx s LYS 99 Ca 0.84 -0.67 -0.07 0.00 0.02 0.00 0.00 55.97 56.09 3hwx s LYS 99 Cb -1.05 -4.08 0.03 0.00 -0.52 0.00 0.00 37.83 32.21 3hwx s LYS 99 CO 0.52 -1.31 0.12 -0.51 -0.92 0.00 0.00 175.35 173.25 3hwx s LEU 100 N 3.09 4.33 -0.28 3.17 1.43 -1.24 -0.46 118.68 128.73 3hwx s LEU 100 Ca 0.20 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.00 3hwx s LEU 100 Cb -0.17 -1.90 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3hwx s LEU 100 CO 0.14 -0.32 0.92 -0.63 0.23 0.00 0.00 176.35 176.70 3hwx s ILE 101 N 1.45 4.71 -0.39 -0.59 -1.09 0.16 -1.66 121.20 123.78 3hwx s ILE 101 Ca -0.00 1.61 -0.09 0.00 -2.23 0.00 0.00 60.65 59.93 3hwx s ILE 101 Cb -0.19 -4.24 0.05 0.00 -1.58 0.00 0.00 42.46 36.50 3hwx s ILE 101 CO 0.04 -0.25 0.21 -0.76 -1.23 0.00 0.00 174.94 172.95 3hwx s LEU 102 N 3.15 4.84 -0.46 2.97 1.43 0.09 -1.19 118.68 129.51 3hwx s LEU 102 Ca 0.39 -1.27 -0.17 0.00 -1.03 0.00 0.00 54.13 52.04 3hwx s LEU 102 Cb -0.14 -1.97 0.05 0.00 0.03 0.00 0.00 46.19 44.16 3hwx s LEU 102 CO 0.10 -0.45 0.46 -0.76 0.23 0.00 0.00 176.35 175.94 3hwx s LEU 103 N 1.46 5.17 -0.32 1.79 1.43 0.23 -0.28 118.68 128.16 3hwx s LEU 103 Ca 0.02 -0.98 -0.01 0.00 -1.03 0.00 0.00 54.13 52.13 3hwx s LEU 103 Cb -0.21 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 43.76 3hwx s LEU 103 CO 0.04 -0.68 0.02 0.42 0.23 0.00 0.00 176.35 176.38 3hwx s THR 104 N 2.06 2.85 0.49 5.49 -4.23 -0.20 -1.74 115.64 120.37 3hwx s THR 104 Ca 0.10 -1.62 -0.23 0.00 -1.18 0.00 0.00 61.69 58.75 3hwx s THR 104 Cb -0.20 -2.74 -0.07 0.00 1.34 0.00 0.00 72.50 70.83 3hwx s THR 104 CO 0.10 -0.24 1.34 0.00 -0.54 0.00 0.00 174.62 175.28 3hwx s ALA 105 N 1.18 3.00 0.19 3.99 0.00 -0.79 -0.23 121.76 129.10 3hwx s ALA 105 Ca -0.02 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.28 3hwx s ALA 105 Cb -0.20 -3.53 -0.05 0.00 0.00 0.00 0.00 23.12 19.34 3hwx s ALA 105 CO -0.03 -1.15 -0.08 0.34 0.00 0.00 0.00 175.76 174.85 3hwx s ASP 106 N -0.88 2.01 0.74 0.00 2.15 0.40 -2.82 116.67 118.26 3hwx s ASP 106 Ca 0.66 -1.09 -0.11 0.00 0.43 0.00 0.00 52.55 52.45 3hwx s ASP 106 Cb -0.39 -0.04 0.05 0.00 -0.30 0.00 0.00 42.92 42.24 3hwx s ASP 106 CO 0.48 -0.36 1.10 -0.13 -0.17 0.00 0.00 175.17 176.09 3hwx s ARG 107 N -3.76 2.43 0.77 4.34 1.81 -1.26 -2.52 118.95 120.75 3hwx s ARG 107 Ca 0.22 0.19 -0.11 0.00 -1.72 0.00 0.00 55.73 54.31 3hwx s ARG 107 Cb 0.03 -2.04 0.05 0.00 -0.45 0.00 0.00 34.95 32.55 3hwx s ARG 107 CO 0.05 -1.25 1.10 -1.25 -0.68 0.00 0.00 175.30 173.26 3hwx s PRO 108 N -5.40 2.34 0.39 3.54 0.04 -1.24 -4.59 135.00 130.08 3hwx s PRO 108 Ca 0.59 0.60 0.16 0.00 0.04 0.00 0.00 61.00 62.39 3hwx s PRO 108 Cb -0.11 -1.95 1.04 0.00 0.04 0.00 0.00 34.50 33.52 3hwx s PRO 108 CO 0.49 -1.43 1.82 -1.35 0.04 0.00 0.00 177.00 176.57 3hwx h PRO 109 N -0.95 0.45 -0.52 0.56 0.10 -1.97 -0.37 132.00 129.29 3hwx h PRO 109 Ca -0.46 -0.03 0.15 0.00 0.10 0.00 0.00 66.00 65.76 3hwx h PRO 109 Cb 1.26 -0.10 -0.02 0.00 0.10 0.00 0.00 31.00 32.24 3hwx h PRO 109 CO 0.61 0.30 0.38 0.93 0.10 0.00 0.00 178.00 180.31 3hwx h GLU 110 N 0.46 0.00 -0.72 1.05 3.07 -2.03 -2.93 114.58 113.48 3hwx h GLU 110 Ca 0.53 -0.00 -0.42 0.00 -0.50 0.00 0.00 59.36 58.97 3hwx h GLU 110 Cb 1.24 -0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.91 3hwx h GLU 110 CO -0.24 0.00 0.26 1.28 -1.40 0.00 0.00 179.01 178.90 3hwx n LEU 111 N -4.38 5.72 -4.45 1.33 4.77 -0.15 -4.87 117.00 114.97 3hwx n LEU 111 Ca 0.10 -3.93 -0.31 0.00 -0.03 0.00 0.00 56.01 51.83 3hwx n LEU 111 Cb 0.60 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.82 3hwx n LEU 111 CO 0.37 1.33 -0.48 -0.63 -1.33 0.00 0.00 177.39 176.64 3hwx s ILE 112 N -3.70 2.82 -1.35 -0.08 -1.09 -1.11 -4.53 121.20 112.16 3hwx s ILE 112 Ca 0.53 -1.02 -0.03 0.00 -2.23 0.00 0.00 60.65 57.89 3hwx s ILE 112 Cb 0.45 -2.14 0.02 0.00 -1.58 0.00 0.00 42.46 39.20 3hwx s ILE 112 CO 0.04 0.44 0.79 0.47 -1.23 0.00 0.00 174.94 175.44 3hwx n ASP 113 N 1.87 -2.14 -1.20 3.58 8.00 -1.26 -4.86 116.55 120.54 3hwx n ASP 113 Ca -0.16 -0.80 -0.06 0.00 0.71 0.00 0.00 54.79 54.48 3hwx n ASP 113 Cb 0.52 -4.09 -0.05 0.00 -0.02 0.00 0.00 41.12 37.49 3hwx n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hwx n GLY 115 N -0.17 -0.51 3.70 0.00 0.00 -1.26 -4.97 105.19 101.98 3hwx n GLY 115 Ca -0.26 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 3hwx n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx s ALA 116 N -3.02 3.29 0.29 4.61 0.00 -1.26 -4.99 121.76 120.68 3hwx s ALA 116 Ca 0.13 0.50 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 3hwx s ALA 116 Cb -0.06 -3.39 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 3hwx s ALA 116 CO 0.16 -0.42 1.23 -1.71 0.00 0.00 0.00 175.76 175.01 3hwx n ASN 117 N 4.41 2.21 -1.11 0.00 2.85 -1.26 -2.44 115.26 119.93 3hwx n ASN 117 Ca 0.08 1.18 -0.11 0.00 -0.11 0.00 0.00 54.58 55.62 3hwx n ASN 117 Cb 0.50 -1.39 -0.02 0.00 1.24 0.00 0.00 39.78 40.11 3hwx n ASN 117 CO 0.00 0.00 0.00 1.67 -2.11 0.00 0.00 177.26 176.82 3hwx n GLN 118 N 1.08 -0.82 -3.99 1.20 7.27 -1.26 -5.00 117.38 115.85 3hwx n GLN 118 Ca 0.09 0.61 -0.31 0.00 0.07 0.00 0.00 57.00 57.46 3hwx n GLN 118 Cb 0.33 -4.67 -0.15 0.00 2.41 0.00 0.00 30.24 28.16 3hwx n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hwx s ALA 119 N -2.49 2.60 0.41 1.69 0.00 -1.02 -3.90 121.76 119.04 3hwx s ALA 119 Ca 0.00 -2.16 0.07 0.00 0.00 0.00 0.00 51.96 49.87 3hwx s ALA 119 Cb 0.00 -1.80 -0.06 0.00 0.00 0.00 0.00 23.12 21.26 3hwx s ALA 119 CO 0.00 -1.53 0.11 0.96 0.00 0.00 0.00 175.76 175.30 3hwx s ILE 120 N 1.07 2.18 -0.28 0.00 -4.36 -1.26 -4.66 121.20 113.89 3hwx s ILE 120 Ca 0.05 -1.83 -0.29 0.00 -0.26 0.00 0.00 60.65 58.32 3hwx s ILE 120 Cb -0.19 -3.00 -0.00 0.00 1.25 0.00 0.00 42.46 40.52 3hwx s ILE 120 CO -0.09 -0.00 1.34 -0.13 0.24 0.00 0.00 174.94 176.30 3hwx s ARG 121 N -3.82 3.92 -0.21 0.37 0.52 -1.26 -4.93 118.95 113.53 3hwx s ARG 121 Ca 0.38 1.33 0.02 0.00 -0.52 0.00 0.00 55.73 56.94 3hwx s ARG 121 Cb 0.06 -3.89 -0.20 0.00 0.52 0.00 0.00 34.95 31.44 3hwx s ARG 121 CO 0.21 -1.12 -0.03 1.04 0.02 0.00 0.00 175.30 175.41 3hwx n GLN 122 N 7.32 0.68 -1.70 3.54 6.02 -1.26 -4.68 117.38 127.30 3hwx n GLN 122 Ca 0.15 0.17 -0.43 0.00 -0.01 0.00 0.00 57.00 56.88 3hwx n GLN 122 Cb 0.46 -1.57 -0.01 0.00 1.02 0.00 0.00 30.24 30.14 3hwx n GLN 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3hwx n PRO 123 N -3.25 2.16 -0.87 -1.09 -0.02 -1.26 -2.14 135.00 128.53 3hwx n PRO 123 Ca -0.40 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 3hwx n PRO 123 Cb 1.02 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 3hwx n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwx n GLY 124 N 1.33 0.34 0.31 -1.23 0.00 -1.26 -4.87 105.19 99.82 3hwx n GLY 124 Ca 0.07 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.35 3hwx n GLY 124 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3hwx n MET 125 N -1.40 -0.06 -0.46 1.61 2.81 -0.91 -0.36 117.12 118.35 3hwx n MET 125 Ca 0.00 1.35 0.08 0.00 -1.81 0.00 0.00 57.70 57.33 3hwx n MET 125 Cb 0.14 -2.35 0.29 0.00 -0.71 0.00 0.00 33.22 30.59 3hwx n MET 125 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3hwx n PHE 126 N -5.24 1.12 -1.27 2.03 3.72 -1.26 -5.05 117.46 111.51 3hwx n PHE 126 Ca 0.33 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 3hwx n PHE 126 Cb 1.10 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.48 3hwx n PHE 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hwx n ALA 127 N 1.00 0.00 1.18 4.37 0.00 0.52 -1.92 120.51 125.66 3hwx n ALA 127 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.76 3hwx n ALA 127 Cb 0.69 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.50 3hwx n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hwx n SER 128 N 1.95 1.76 -0.05 0.00 3.41 -1.26 -4.43 113.62 115.01 3hwx n SER 128 Ca 0.00 -1.72 -0.13 0.00 -0.26 0.00 0.00 58.87 56.75 3hwx n SER 128 Cb 0.00 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 3hwx n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hwx h HIS 129 N 2.34 0.38 -3.16 7.33 -0.00 -1.81 -3.43 115.15 116.79 3hwx h HIS 129 Ca 0.00 -0.12 -0.57 0.00 -0.00 0.00 0.00 60.37 59.68 3hwx h HIS 129 Cb 0.51 -0.07 0.18 0.00 -0.00 0.00 0.00 27.41 28.03 3hwx h HIS 129 CO 0.11 0.76 -0.38 -2.30 -0.00 0.00 0.00 177.93 176.11 3hwx n PRO 130 N -4.57 0.37 -0.01 2.45 -0.02 -1.26 -4.65 135.00 127.31 3hwx n PRO 130 Ca -0.07 0.16 -0.16 0.00 -2.02 0.00 0.00 63.50 61.41 3hwx n PRO 130 Cb 0.38 -1.81 -0.12 0.00 -0.02 0.00 0.00 33.50 31.93 3hwx n PRO 130 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3hwx h THR 131 N -0.21 1.55 -3.96 3.45 2.02 -0.31 -3.46 112.91 112.00 3hwx h THR 131 Ca -0.46 -2.16 -0.47 0.00 0.77 0.00 0.00 66.41 64.10 3hwx h THR 131 Cb 1.36 2.92 -0.22 0.00 -1.74 0.00 0.00 68.15 70.47 3hwx h THR 131 CO 0.44 0.60 -0.80 -1.00 0.37 0.00 0.00 175.52 175.13 3hwx s HIS 132 N -2.86 1.43 0.05 3.16 3.76 -1.15 -5.06 115.29 114.61 3hwx s HIS 132 Ca -0.15 -0.43 0.09 0.00 -0.15 0.00 0.00 55.06 54.41 3hwx s HIS 132 Cb 0.01 -0.80 -0.03 0.00 1.11 0.00 0.00 32.58 32.87 3hwx s HIS 132 CO 0.77 0.10 -0.25 -1.12 -0.85 0.00 0.00 174.74 173.40 3hwx s SER 133 N -1.71 3.30 -0.19 1.40 0.01 -1.26 -1.44 113.70 113.80 3hwx s SER 133 Ca 0.01 -0.56 -0.03 0.00 1.31 0.00 0.00 55.95 56.68 3hwx s SER 133 Cb -0.10 -0.35 0.06 0.00 0.21 0.00 0.00 66.02 65.84 3hwx s SER 133 CO 0.03 0.26 0.04 -0.63 0.41 0.00 0.00 173.24 173.35 3hwx s ILE 134 N -0.83 0.46 -0.66 1.44 1.01 0.71 -4.91 121.20 118.41 3hwx s ILE 134 Ca 0.12 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.98 3hwx s ILE 134 Cb -0.10 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.42 3hwx s ILE 134 CO 0.03 -0.22 1.20 -0.44 0.00 0.00 0.00 174.94 175.51 3hwx s SER 135 N 1.89 6.27 0.39 3.58 0.01 -1.26 0.28 113.70 124.86 3hwx s SER 135 Ca -0.01 -0.30 -0.23 0.00 1.31 0.00 0.00 55.95 56.72 3hwx s SER 135 Cb -0.17 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.42 3hwx s SER 135 CO -0.08 -1.64 0.98 -0.76 0.41 0.00 0.00 173.24 172.15 3hwx s LEU 136 N 5.19 4.11 0.00 2.44 1.43 -0.64 -4.95 118.68 126.27 3hwx s LEU 136 Ca 0.36 1.84 -0.14 0.00 -1.03 0.00 0.00 54.13 55.17 3hwx s LEU 136 Cb -0.09 -4.28 0.19 0.00 0.03 0.00 0.00 46.19 42.04 3hwx s LEU 136 CO 0.19 -0.33 1.01 -0.81 0.23 0.00 0.00 176.35 176.63 3hwx n PRO 137 N -0.13 -1.35 -1.88 1.29 -0.04 -1.26 -4.41 135.00 127.21 3hwx n PRO 137 Ca 0.05 -1.57 -0.42 0.00 -0.04 0.00 0.00 63.50 61.52 3hwx n PRO 137 Cb 0.52 -1.12 -0.03 0.00 -0.04 0.00 0.00 33.50 32.83 3hwx n PRO 137 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3hwx s ARG 138 N -5.22 4.18 0.05 0.54 3.52 -1.26 -4.50 118.95 116.26 3hwx s ARG 138 Ca 0.58 2.38 -0.33 0.00 -0.13 0.00 0.00 55.73 58.24 3hwx s ARG 138 Cb -0.02 -3.69 -0.12 0.00 -1.56 0.00 0.00 34.95 29.56 3hwx s ARG 138 CO 0.42 -0.78 1.76 -2.30 -0.81 0.00 0.00 175.30 173.59 3hwx n PRO 139 N 5.94 2.31 -4.07 5.12 -0.02 -1.26 -4.97 135.00 138.05 3hwx n PRO 139 Ca 0.17 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.41 3hwx n PRO 139 Cb 0.40 -2.67 -0.10 0.00 -0.02 0.00 0.00 33.50 31.11 3hwx n PRO 139 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hwx s THR 140 N 2.65 0.23 -0.77 3.45 -1.32 -1.26 -5.01 115.64 113.61 3hwx s THR 140 Ca 0.85 -1.64 0.25 0.00 -1.21 0.00 0.00 61.69 59.95 3hwx s THR 140 Cb -0.64 -1.28 0.26 0.00 -1.51 0.00 0.00 72.50 69.33 3hwx s THR 140 CO 0.43 -0.89 1.78 0.00 -2.21 0.00 0.00 174.62 173.73 3hwx n GLN 141 N 0.40 0.17 0.22 7.08 6.02 -1.26 -3.57 117.38 126.44 3hwx n GLN 141 Ca -0.16 0.20 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 3hwx n GLN 141 Cb 0.60 -1.72 0.17 0.00 1.02 0.00 0.00 30.24 30.31 3hwx n GLN 141 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3hwx h ASP 142 N 0.00 0.00 -3.39 1.08 3.32 -1.98 -3.41 116.42 112.05 3hwx h ASP 142 Ca 0.00 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.46 3hwx h ASP 142 Cb 0.58 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 40.02 3hwx h ASP 142 CO 0.00 0.03 -0.22 -0.63 -1.72 0.00 0.00 179.24 176.70 3hwx s ILE 143 N -3.20 5.23 0.27 0.35 1.01 -1.23 -5.08 121.20 118.54 3hwx s ILE 143 Ca 0.07 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 61.14 3hwx s ILE 143 Cb 0.05 -3.72 -0.09 0.00 0.01 0.00 0.00 42.46 38.71 3hwx s ILE 143 CO 0.67 0.31 1.05 -2.16 0.00 0.00 0.00 174.94 174.81 3hwx s PRO 144 N 0.90 4.71 0.55 2.79 0.05 -1.26 -4.90 135.00 137.84 3hwx s PRO 144 Ca 0.20 1.71 0.26 0.00 0.05 0.00 0.00 61.00 63.21 3hwx s PRO 144 Cb -0.14 -3.22 1.48 0.00 0.05 0.00 0.00 34.50 32.67 3hwx s PRO 144 CO 0.07 0.31 2.04 0.00 0.05 0.00 0.00 177.00 179.47 3hwx h ALA 145 N 3.92 2.18 -0.40 8.56 0.00 -1.93 1.48 119.26 133.07 3hwx h ALA 145 Ca -0.46 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.45 3hwx h ALA 145 Cb 1.21 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 3hwx h ALA 145 CO 0.67 -0.46 0.26 0.07 0.00 0.00 0.00 179.25 179.79 3hwx h ARG 146 N 0.00 0.48 0.31 0.00 0.11 -1.91 -1.41 114.38 111.95 3hwx h ARG 146 Ca 0.16 -0.03 -0.02 0.00 0.10 0.00 0.00 59.98 60.20 3hwx h ARG 146 Cb 0.74 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3hwx h ARG 146 CO -0.00 0.32 -0.15 2.35 0.10 0.00 0.00 179.97 182.58 3hwx h TRP 147 N 0.49 -0.39 -0.26 4.08 7.01 0.17 -2.13 115.95 124.93 3hwx h TRP 147 Ca 0.15 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.19 3hwx h TRP 147 Cb 0.01 0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 27.16 3hwx h TRP 147 CO -0.00 -0.16 -0.02 1.25 -2.79 0.00 0.00 178.44 176.72 3hwx h LEU 148 N -0.53 -0.14 -0.48 0.65 5.85 -1.32 -1.25 115.31 118.09 3hwx h LEU 148 Ca -0.04 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.77 3hwx h LEU 148 Cb 0.40 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3hwx h LEU 148 CO 0.07 -0.04 0.28 1.62 -0.34 0.00 0.00 178.44 180.03 3hwx h VAL 149 N 0.06 1.04 -0.28 1.05 3.04 -1.38 -2.40 116.25 117.38 3hwx h VAL 149 Ca 0.12 -0.19 -0.08 0.00 -1.01 0.00 0.00 66.70 65.54 3hwx h VAL 149 Cb 0.17 0.43 -0.02 0.00 -2.01 0.00 0.00 31.29 29.86 3hwx h VAL 149 CO -0.22 0.10 -0.18 0.28 -1.01 0.00 0.00 177.57 176.54 3hwx h SER 150 N 0.56 0.50 -0.59 3.17 0.02 -0.81 0.65 113.55 117.05 3hwx h SER 150 Ca 0.20 -0.14 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 3hwx h SER 150 Cb 0.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 3hwx h SER 150 CO -0.10 0.69 0.12 0.74 -1.14 0.00 0.00 176.83 177.14 3hwx h THR 151 N 0.46 1.25 -0.47 -2.27 2.02 -1.13 0.88 112.91 113.65 3hwx h THR 151 Ca 0.08 -0.94 -0.12 0.00 0.77 0.00 0.00 66.41 66.19 3hwx h THR 151 Cb 0.57 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 3hwx h THR 151 CO 0.04 0.35 -0.18 0.40 0.37 0.00 0.00 175.52 176.50 3hwx h ILE 152 N 0.86 1.27 -0.98 3.11 2.04 -0.89 -2.68 117.51 120.25 3hwx h ILE 152 Ca 0.18 -1.33 0.03 0.00 1.00 0.00 0.00 64.86 64.74 3hwx h ILE 152 Cb 0.38 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3hwx h ILE 152 CO 0.01 0.46 0.64 0.44 0.00 0.00 0.00 178.15 179.70 3hwx h ASP 153 N 0.80 1.08 -0.48 1.72 3.32 0.65 -1.45 116.42 122.06 3hwx h ASP 153 Ca 0.11 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hwx h ASP 153 Cb 0.75 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3hwx h ASP 153 CO 0.06 0.76 0.28 -0.74 -1.72 0.00 0.00 179.24 177.88 3hwx h HIS 154 N 1.27 0.64 -0.11 4.55 -0.00 -0.61 0.15 115.15 121.03 3hwx h HIS 154 Ca 0.38 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.73 3hwx h HIS 154 Cb -0.05 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 27.15 3hwx h HIS 154 CO -0.00 0.45 0.01 0.00 -0.00 0.00 0.00 177.93 178.39 3hwx h ALA 155 N 1.13 0.15 0.10 5.26 0.00 -1.12 -2.71 119.26 122.06 3hwx h ALA 155 Ca 0.17 -0.17 -0.27 0.00 0.00 0.00 0.00 54.91 54.64 3hwx h ALA 155 Cb 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3hwx h ALA 155 CO -0.03 -0.18 -1.29 -0.07 0.00 0.00 0.00 179.25 177.69 3hwx h LEU 156 N -0.07 0.33 -1.43 0.00 -0.00 -1.22 -2.54 115.31 110.38 3hwx h LEU 156 Ca 0.03 -0.38 -0.04 0.00 -0.00 0.00 0.00 57.88 57.49 3hwx h LEU 156 Cb 0.33 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.87 3hwx h LEU 156 CO 0.00 1.30 -0.09 1.23 -0.00 0.00 0.00 178.44 180.89 3hwx h GLY 157 N 1.92 0.28 -1.44 0.83 0.00 -0.71 -2.88 103.07 101.07 3hwx h GLY 157 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3hwx h GLY 157 CO 0.18 0.15 0.00 -1.30 0.00 0.00 0.00 176.54 175.57 3hwx n THR 158 N -4.30 0.29 -1.98 4.70 -2.24 -1.03 -4.03 114.28 105.69 3hwx n THR 158 Ca -0.00 -0.64 -0.33 0.00 -2.27 0.00 0.00 64.05 60.80 3hwx n THR 158 Cb 0.25 1.09 -0.04 0.00 -2.10 0.00 0.00 70.33 69.53 3hwx n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hwx s LEU 159 N -1.24 3.24 0.21 3.22 2.96 -0.96 -4.80 118.68 121.32 3hwx s LEU 159 Ca 0.23 0.07 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 3hwx s LEU 159 Cb 0.14 -2.54 0.18 0.00 0.50 0.00 0.00 46.19 44.47 3hwx s LEU 159 CO 0.21 -2.61 1.71 -0.74 -1.32 0.00 0.00 176.35 173.59 3hwx h HIS 160 N 14.10 1.07 0.00 5.38 -0.00 -1.89 -3.48 115.15 130.33 3hwx h HIS 160 Ca -0.13 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.08 3hwx h HIS 160 Cb 1.11 -0.29 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 3hwx h HIS 160 CO 1.10 0.93 0.00 0.00 -0.00 0.00 0.00 177.93 179.96 3hwx n ALA 161 N -2.47 0.00 0.00 5.26 0.00 -1.26 -5.06 120.51 116.98 3hwx n ALA 161 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3hwx n ALA 161 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3hwx n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwx n GLY 162 N -0.03 0.78 3.89 0.00 0.00 -0.89 -4.76 105.19 104.17 3hwx n GLY 162 Ca 0.00 -2.28 -0.29 0.00 0.00 0.00 0.00 46.02 43.45 3hwx n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hwx s GLY 163 N 0.00 1.58 -0.05 -0.02 0.00 -1.25 -3.65 107.32 103.93 3hwx s GLY 163 Ca 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 44.72 44.45 3hwx s GLY 163 CO 0.00 -0.07 -0.09 0.14 0.00 0.00 0.00 173.10 173.08 3hwx s VAL 164 N -2.97 0.86 -0.24 1.40 1.01 -0.67 0.42 120.40 120.22 3hwx s VAL 164 Ca 0.51 -0.32 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 3hwx s VAL 164 Cb -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 3hwx s VAL 164 CO 0.50 0.29 0.10 -2.28 0.00 0.00 0.00 175.10 173.71 3hwx s HIS 165 N 0.75 3.17 -0.26 5.22 5.65 -0.52 -0.73 115.29 128.56 3hwx s HIS 165 Ca -0.13 -0.12 0.01 0.00 0.25 0.00 0.00 55.06 55.06 3hwx s HIS 165 Cb -0.15 -2.22 0.05 0.00 -1.18 0.00 0.00 32.58 29.07 3hwx s HIS 165 CO 0.02 -0.14 -0.07 0.42 -0.65 0.00 0.00 174.74 174.31 3hwx s ILE 166 N 1.25 2.54 -0.22 0.89 1.01 0.62 0.25 121.20 127.55 3hwx s ILE 166 Ca 0.05 -1.40 -0.23 0.00 0.00 0.00 0.00 60.65 59.08 3hwx s ILE 166 Cb -0.14 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 3hwx s ILE 166 CO 0.04 0.03 0.76 0.21 0.00 0.00 0.00 174.94 175.98 3hwx s ASN 167 N 1.20 6.78 -0.63 3.58 2.47 0.14 -1.03 114.94 127.46 3hwx s ASN 167 Ca -0.05 0.97 -0.02 0.00 0.42 0.00 0.00 52.86 54.18 3hwx s ASN 167 Cb -0.19 -2.41 0.16 0.00 -1.45 0.00 0.00 41.25 37.37 3hwx s ASN 167 CO -0.04 -0.42 0.43 0.00 -3.72 0.00 0.00 177.10 173.35 3hwx s PRO 169 N -0.19 4.41 -0.04 0.00 0.02 -1.26 -0.45 135.00 137.48 3hwx s PRO 169 Ca 0.18 2.08 -0.01 0.00 0.02 0.00 0.00 61.00 63.27 3hwx s PRO 169 Cb -0.20 -3.15 0.03 0.00 0.02 0.00 0.00 34.50 31.20 3hwx s PRO 169 CO -0.03 -0.17 0.03 -0.06 -0.33 0.00 0.00 177.00 176.44 3hwx s PHE 170 N -0.49 0.20 -0.17 6.54 0.08 -1.05 -4.29 117.98 118.80 3hwx s PHE 170 Ca 0.52 0.11 -0.20 0.00 0.12 0.00 0.00 56.93 57.48 3hwx s PHE 170 Cb -0.37 -0.45 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 3hwx s PHE 170 CO 0.44 -0.17 0.59 0.00 -0.10 0.00 0.00 175.22 175.98 3hwx s ALA 171 N 1.61 3.51 0.81 5.36 0.00 -1.26 -3.73 121.76 128.06 3hwx s ALA 171 Ca -0.02 -0.23 -0.14 0.00 0.00 0.00 0.00 51.96 51.57 3hwx s ALA 171 Cb -0.13 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.16 3hwx s ALA 171 CO -0.03 -0.39 0.98 -0.85 0.00 0.00 0.00 175.76 175.47 3hwx n GLU 172 N 4.63 0.16 -2.65 0.00 0.00 -1.26 -4.73 120.64 116.78 3hwx n GLU 172 Ca -0.03 0.12 -0.41 0.00 0.00 0.00 0.00 57.16 56.85 3hwx n GLU 172 Cb 0.50 -2.25 -0.05 0.00 0.00 0.00 0.00 31.44 29.64 3hwx n GLU 172 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.13 174.99 3hwx s PRO 173 N -3.78 4.73 0.00 3.44 0.02 -1.26 -4.98 135.00 133.17 3hwx s PRO 173 Ca 0.70 1.58 0.22 0.00 0.02 0.00 0.00 61.00 63.52 3hwx s PRO 173 Cb -0.29 -3.29 0.17 0.00 0.02 0.00 0.00 34.50 31.10 3hwx s PRO 173 CO 0.54 0.30 1.19 1.28 -0.33 0.00 0.00 177.00 179.98 3hwx n LEU 174 N 1.94 2.79 -3.71 -5.54 4.77 -1.26 -3.23 117.00 112.76 3hwx n LEU 174 Ca 0.00 -0.99 -0.26 0.00 -0.03 0.00 0.00 56.01 54.73 3hwx n LEU 174 Cb 0.47 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.39 3hwx n LEU 174 CO 0.52 0.47 -0.36 -0.31 -1.33 0.00 0.00 177.39 176.38 3hwx s TYR 175 N -1.85 0.77 -0.12 -1.77 2.02 -1.26 -4.79 117.35 110.34 3hwx s TYR 175 Ca 0.25 -0.60 -0.02 0.00 -0.37 0.00 0.00 57.07 56.33 3hwx s TYR 175 Cb 0.18 -0.91 0.04 0.00 -0.40 0.00 0.00 41.96 40.88 3hwx s TYR 175 CO 0.29 -0.53 0.02 1.41 -1.57 0.00 0.00 175.55 175.16 3hwx s MET 178 N 1.94 0.61 0.00 -0.62 1.75 -1.26 -4.86 119.30 116.85 3hwx s MET 178 Ca 0.01 -0.09 0.00 0.00 -1.25 0.00 0.00 55.69 54.36 3hwx s MET 178 Cb -0.16 -1.42 0.00 0.00 2.84 0.00 0.00 34.83 36.09 3hwx s MET 178 CO -0.08 -0.44 0.00 -0.25 -0.65 0.00 0.00 175.02 173.60 3hwx n ASP 179 N 5.12 0.00 -1.00 1.11 9.92 -1.26 -5.01 116.55 125.43 3hwx n ASP 179 Ca -0.08 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.20 3hwx n ASP 179 Cb 0.49 0.00 0.15 0.00 -0.64 0.00 0.00 41.12 41.12 3hwx n ASP 179 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 3hwx n ASP 180 N 0.00 1.96 -0.09 -2.24 9.92 -1.26 -4.92 116.55 119.93 3hwx n ASP 180 Ca 0.00 -3.49 -0.10 0.00 -0.53 0.00 0.00 54.79 50.67 3hwx n ASP 180 Cb 0.00 -0.46 -0.03 0.00 -0.64 0.00 0.00 41.12 39.98 3hwx n ASP 180 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 3hwx h THR 181 N 2.37 1.20 -0.37 -3.53 2.02 -1.91 -2.89 112.91 109.80 3hwx h THR 181 Ca -0.00 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 66.54 3hwx h THR 181 Cb 1.24 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 3hwx h THR 181 CO 0.12 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.83 3hwx n GLY 182 N -0.62 1.36 0.33 2.16 0.00 -1.26 -4.66 105.19 102.50 3hwx n GLY 182 Ca -0.03 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.32 3hwx n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hwx h LEU 183 N 3.71 0.96 0.00 0.99 5.85 -1.89 -0.92 115.31 124.01 3hwx h LEU 183 Ca 0.00 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.43 3hwx h LEU 183 Cb 0.82 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 3hwx h LEU 183 CO 0.00 0.85 -0.83 0.77 -0.34 0.00 0.00 178.44 178.89 3hwx h SER 184 N 1.04 0.00 0.35 1.25 4.64 -1.83 -2.59 113.55 116.41 3hwx h SER 184 Ca 0.24 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.55 3hwx h SER 184 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3hwx h SER 184 CO -0.02 0.74 -0.17 -0.25 -0.87 0.00 0.00 176.83 176.26 3hwx h TRP 185 N 0.00 -0.43 -1.04 4.77 7.01 -1.75 -0.57 115.95 123.93 3hwx h TRP 185 Ca -0.03 -0.01 0.27 0.00 2.11 0.00 0.00 58.89 61.23 3hwx h TRP 185 Cb 1.59 0.14 -0.12 0.00 -2.10 0.00 0.00 29.16 28.68 3hwx h TRP 185 CO 0.00 -0.25 0.64 1.96 -2.79 0.00 0.00 178.44 178.00 3hwx h GLN 186 N -0.50 0.43 -0.01 2.65 4.20 -1.19 -2.38 115.11 118.32 3hwx h GLN 186 Ca -0.05 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hwx h GLN 186 Cb 0.38 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3hwx h GLN 186 CO 0.08 0.29 -0.05 1.04 -0.67 0.00 0.00 178.83 179.52 3hwx n GLN 187 N -4.79 1.10 0.00 1.46 6.02 -0.30 -2.54 117.38 118.34 3hwx n GLN 187 Ca 0.27 -0.42 0.07 0.00 -0.01 0.00 0.00 57.00 56.92 3hwx n GLN 187 Cb 0.87 -1.49 0.34 0.00 1.02 0.00 0.00 30.24 30.97 3hwx n GLN 187 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx n ARG 188 N -0.58 0.03 0.00 -1.09 5.12 -0.75 -1.87 116.66 117.52 3hwx n ARG 188 Ca 0.18 0.22 0.14 0.00 -1.93 0.00 0.00 57.85 56.47 3hwx n ARG 188 Cb 0.26 -1.50 0.62 0.00 -1.16 0.00 0.00 32.46 30.68 3hwx n ARG 188 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hwx n LEU 189 N -1.47 1.11 0.00 0.55 4.77 -1.05 -4.99 117.00 115.91 3hwx n LEU 189 Ca 0.04 -0.36 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3hwx n LEU 189 Cb 0.17 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 3hwx n LEU 189 CO 0.14 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 3hwx n GLY 190 N 1.15 3.13 0.47 -0.72 0.00 -0.78 -2.46 105.19 105.97 3hwx n GLY 190 Ca 0.20 -0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3hwx n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hwx n ASP 191 N 2.41 1.39 0.03 1.61 5.68 -1.26 -3.58 116.55 122.83 3hwx n ASP 191 Ca 0.00 -1.84 0.12 0.00 -0.50 0.00 0.00 54.79 52.57 3hwx n ASP 191 Cb 0.00 -0.14 0.57 0.00 -1.14 0.00 0.00 41.12 40.41 3hwx n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 3hwx h TRP 192 N 1.66 0.23 -0.25 2.11 7.01 -1.89 -0.49 115.95 124.33 3hwx h TRP 192 Ca 0.00 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 60.98 3hwx h TRP 192 Cb 0.37 -0.08 -0.01 0.00 -2.10 0.00 0.00 29.16 27.34 3hwx h TRP 192 CO 0.14 0.12 0.04 -1.49 -2.79 0.00 0.00 178.44 174.46 3hwx h TRP 193 N 0.22 0.36 -0.02 2.65 4.06 -1.76 -1.85 115.95 119.61 3hwx h TRP 193 Ca 0.19 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 61.12 3hwx h TRP 193 Cb 0.45 -0.11 0.00 0.00 -1.00 0.00 0.00 29.16 28.50 3hwx h TRP 193 CO -0.00 0.34 -0.09 1.04 -3.56 0.00 0.00 178.44 176.17 3hwx n GLN 194 N -4.37 1.58 -0.02 0.49 3.00 -0.56 -4.99 117.38 112.50 3hwx n GLN 194 Ca 0.01 -1.04 0.00 0.00 -0.01 0.00 0.00 57.00 55.95 3hwx n GLN 194 Cb 0.17 -1.48 0.00 0.00 0.00 0.00 0.00 30.24 28.93 3hwx n GLN 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3hwx n ASP 195 N 0.20 0.00 0.00 1.08 2.03 -0.30 -5.07 116.55 114.49 3hwx n ASP 195 Ca 0.16 -0.21 0.00 0.00 0.52 0.00 0.00 54.79 55.26 3hwx n ASP 195 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3hwx n ASP 195 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3hwx n ASP 196 N -0.62 0.00 -5.01 1.67 2.03 -1.26 -5.03 116.55 108.32 3hwx n ASP 196 Ca 0.00 0.00 -0.18 0.00 0.52 0.00 0.00 54.79 55.13 3hwx n ASP 196 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hwx s LYS 197 N -1.00 2.70 0.81 -0.67 1.02 -1.26 -4.75 119.74 116.59 3hwx s LYS 197 Ca 0.00 -1.34 -0.14 0.00 0.02 0.00 0.00 55.97 54.51 3hwx s LYS 197 Cb 0.00 -2.72 0.06 0.00 -0.52 0.00 0.00 37.83 34.64 3hwx s LYS 197 CO 0.00 -0.40 0.98 -2.30 -0.92 0.00 0.00 175.35 172.71 3hwx n PRO 198 N -1.93 0.14 0.08 -1.68 -0.02 -1.26 -4.86 135.00 125.47 3hwx n PRO 198 Ca 0.10 0.12 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 3hwx n PRO 198 Cb 0.60 -2.26 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 3hwx n PRO 198 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3hwx h TRP 199 N -0.89 -0.14 -3.40 6.00 2.91 -1.95 -3.42 115.95 115.06 3hwx h TRP 199 Ca -0.46 -0.00 -0.64 0.00 1.13 0.00 0.00 58.89 58.91 3hwx h TRP 199 Cb 1.31 0.05 -0.23 0.00 -0.51 0.00 0.00 29.16 29.77 3hwx h TRP 199 CO 0.43 0.01 -0.67 -1.17 -1.03 0.00 0.00 178.44 176.00 3hwx s LEU 200 N -9.96 3.19 -0.52 0.65 2.96 -1.26 -5.07 118.68 108.66 3hwx s LEU 200 Ca -0.14 -0.22 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 3hwx s LEU 200 Cb 0.05 -1.80 0.12 0.00 0.50 0.00 0.00 46.19 45.06 3hwx s LEU 200 CO 0.65 0.08 0.47 -0.13 -1.32 0.00 0.00 176.35 176.10 3hwx s ARG 201 N 0.90 2.97 -0.31 1.98 0.52 -1.26 -4.77 118.95 118.97 3hwx s ARG 201 Ca 0.00 -1.62 0.02 0.00 -0.52 0.00 0.00 55.73 53.60 3hwx s ARG 201 Cb -0.14 -4.25 0.09 0.00 0.52 0.00 0.00 34.95 31.17 3hwx s ARG 201 CO 0.02 -1.25 0.05 -2.00 0.02 0.00 0.00 175.30 172.14 3hwx s GLU 202 N 1.60 1.20 -0.34 3.54 2.12 -1.26 -5.01 118.70 120.55 3hwx s GLU 202 Ca 0.03 -1.43 0.16 0.00 0.36 0.00 0.00 54.97 54.10 3hwx s GLU 202 Cb -0.28 -2.63 0.44 0.00 0.26 0.00 0.00 34.13 31.92 3hwx s GLU 202 CO 0.04 -0.91 1.00 0.00 -0.54 0.00 0.00 175.26 174.85 3hwx n ALA 203 N 4.55 2.98 -1.61 6.30 0.00 -1.26 -3.41 120.51 128.06 3hwx n ALA 203 Ca -0.01 -2.87 -0.38 0.00 0.00 0.00 0.00 53.44 50.19 3hwx n ALA 203 Cb 0.42 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 18.98 3hwx n ALA 203 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hwx n PRO 204 N -0.11 0.83 -3.87 0.00 -0.04 -1.26 -4.99 135.00 125.57 3hwx n PRO 204 Ca 0.08 0.33 -0.36 0.00 -0.04 0.00 0.00 63.50 63.51 3hwx n PRO 204 Cb 0.81 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 3hwx n PRO 204 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3hwx s ARG 205 N -2.76 3.46 -0.36 0.54 0.52 -1.26 -4.96 118.95 114.14 3hwx s ARG 205 Ca 0.76 -0.14 -0.09 0.00 -0.52 0.00 0.00 55.73 55.74 3hwx s ARG 205 Cb -0.41 -3.17 0.03 0.00 0.52 0.00 0.00 34.95 31.92 3hwx s ARG 205 CO 0.47 0.75 0.17 -1.17 0.02 0.00 0.00 175.30 175.54 3hwx s LEU 206 N -1.23 4.55 0.01 2.53 2.96 -1.26 -5.07 118.68 121.17 3hwx s LEU 206 Ca 0.18 -1.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.08 3hwx s LEU 206 Cb -0.12 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.59 3hwx s LEU 206 CO 0.08 -0.36 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.08 3hwx s GLU 207 N 1.50 0.43 -0.02 1.98 2.02 -1.26 -4.76 118.70 118.59 3hwx s GLU 207 Ca 0.01 -0.35 -0.20 0.00 0.02 0.00 0.00 54.97 54.44 3hwx s GLU 207 Cb -0.19 -0.34 -0.05 0.00 0.10 0.00 0.00 34.13 33.65 3hwx s GLU 207 CO 0.05 0.08 0.58 -1.12 0.02 0.00 0.00 175.26 174.88 3hwx s SER 208 N -0.58 6.94 0.73 -0.19 0.01 -0.13 -4.97 113.70 115.51 3hwx s SER 208 Ca -0.02 1.12 -0.16 0.00 1.31 0.00 0.00 55.95 58.20 3hwx s SER 208 Cb -0.04 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.86 3hwx s SER 208 CO -0.00 0.08 1.15 1.21 0.41 0.00 0.00 173.24 176.10 3hwx n GLU 209 N 2.88 0.59 -1.61 12.44 2.13 -1.26 -4.91 120.64 130.89 3hwx n GLU 209 Ca -0.07 0.26 -0.49 0.00 0.66 0.00 0.00 57.16 57.52 3hwx n GLU 209 Cb 0.51 -2.40 -0.05 0.00 0.27 0.00 0.00 31.44 29.78 3hwx n GLU 209 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3hwx n LYS 210 N -2.36 1.46 -2.63 5.31 4.81 -1.26 -4.87 118.16 118.62 3hwx n LYS 210 Ca 0.14 0.53 -0.42 0.00 -0.87 0.00 0.00 58.31 57.69 3hwx n LYS 210 Cb 0.49 -2.18 -0.03 0.00 0.02 0.00 0.00 35.03 33.34 3hwx n LYS 210 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hwx s GLN 211 N 0.37 3.54 0.08 1.64 -1.52 -1.26 -4.89 119.66 117.62 3hwx s GLN 211 Ca 0.80 -1.14 0.04 0.00 -1.95 0.00 0.00 55.36 53.11 3hwx s GLN 211 Cb -0.85 -5.13 0.19 0.00 -0.22 0.00 0.00 33.01 27.01 3hwx s GLN 211 CO 0.46 -2.11 0.97 0.54 -0.25 0.00 0.00 175.29 174.89 3hwx n ARG 212 N 8.49 0.02 -0.75 2.91 1.74 -1.26 -0.51 116.66 127.31 3hwx n ARG 212 Ca 0.27 0.40 -0.02 0.00 -0.77 0.00 0.00 57.85 57.73 3hwx n ARG 212 Cb 0.50 -1.75 0.21 0.00 -1.02 0.00 0.00 32.46 30.40 3hwx n ARG 212 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3hwx n ASP 213 N -1.52 2.88 -0.14 0.55 5.75 -1.26 -4.72 116.55 118.09 3hwx n ASP 213 Ca -0.00 -3.59 -0.10 0.00 -0.01 0.00 0.00 54.79 51.09 3hwx n ASP 213 Cb 0.18 -0.63 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 3hwx n ASP 213 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hwx h TRP 214 N 1.18 0.75 -1.12 2.11 2.91 -1.21 -2.97 115.95 117.60 3hwx h TRP 214 Ca 0.20 -0.13 0.32 0.00 1.13 0.00 0.00 58.89 60.41 3hwx h TRP 214 Cb 1.69 -0.20 -0.11 0.00 -0.51 0.00 0.00 29.16 30.03 3hwx h TRP 214 CO 0.94 0.77 0.72 0.74 -1.03 0.00 0.00 178.44 180.57 3hwx h PHE 215 N 0.52 0.64 0.21 2.65 -1.00 -1.84 0.21 116.94 118.32 3hwx h PHE 215 Ca 0.11 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.91 3hwx h PHE 215 Cb 0.46 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.85 3hwx h PHE 215 CO 0.04 -0.04 -0.10 0.35 -1.61 0.00 0.00 178.31 176.94 3hwx h PHE 216 N 0.29 -0.26 -0.37 -0.55 3.57 -1.90 -3.37 116.94 114.34 3hwx h PHE 216 Ca 0.67 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 62.11 3hwx h PHE 216 Cb 1.85 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.66 3hwx h PHE 216 CO -0.00 0.11 -0.01 -1.49 -2.23 0.00 0.00 178.31 174.68 3hwx h TRP 217 N -0.92 0.62 0.00 0.41 4.06 -1.02 -2.36 115.95 116.74 3hwx h TRP 217 Ca -0.03 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 60.85 3hwx h TRP 217 Cb 0.49 -0.18 0.00 0.00 -1.00 0.00 0.00 29.16 28.47 3hwx h TRP 217 CO 0.06 0.61 0.00 2.89 -3.56 0.00 0.00 178.44 178.44 3hwx n ARG 218 N -4.25 0.05 -0.03 0.49 1.85 0.58 -1.84 116.66 113.52 3hwx n ARG 218 Ca 0.02 0.55 -0.01 0.00 -1.00 0.00 0.00 57.85 57.41 3hwx n ARG 218 Cb 0.27 -1.68 -0.14 0.00 -1.05 0.00 0.00 32.46 29.87 3hwx n ARG 218 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3hwx n GLN 219 N -1.79 0.66 -0.20 2.89 6.02 -0.89 -4.86 117.38 119.21 3hwx n GLN 219 Ca -0.01 0.03 -0.11 0.00 -0.01 0.00 0.00 57.00 56.90 3hwx n GLN 219 Cb 0.01 -1.62 0.10 0.00 1.02 0.00 0.00 30.24 29.76 3hwx n GLN 219 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hwx n LYS 220 N -2.68 -2.59 -3.21 -1.09 4.76 -0.76 -4.97 118.16 107.62 3hwx n LYS 220 Ca -0.17 -0.58 -0.43 0.00 -2.87 0.00 0.00 58.31 54.26 3hwx n LYS 220 Cb 0.90 -0.66 -0.08 0.00 -1.84 0.00 0.00 35.03 33.35 3hwx n LYS 220 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hwx s ARG 221 N -3.82 3.18 0.47 1.97 0.52 -1.26 -5.01 118.95 115.00 3hwx s ARG 221 Ca 0.25 -0.59 0.03 0.00 -0.52 0.00 0.00 55.73 54.90 3hwx s ARG 221 Cb -0.04 -3.97 -0.04 0.00 0.52 0.00 0.00 34.95 31.43 3hwx s ARG 221 CO 0.20 -0.96 0.01 0.20 0.02 0.00 0.00 175.30 174.77 3hwx s GLY 222 N 1.97 2.84 0.04 -3.53 0.00 -1.26 -0.05 107.32 107.33 3hwx s GLY 222 Ca 0.17 -1.06 0.03 0.00 0.00 0.00 0.00 44.72 43.86 3hwx s GLY 222 CO 0.16 -2.16 -0.10 0.14 0.00 0.00 0.00 173.10 171.14 3hwx s VAL 223 N -2.82 0.79 -0.09 1.40 1.01 -1.04 -4.10 120.40 115.54 3hwx s VAL 223 Ca 0.16 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3hwx s VAL 223 Cb 0.05 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 3hwx s VAL 223 CO 0.08 -0.15 -0.09 -0.69 0.00 0.00 0.00 175.10 174.25 3hwx s VAL 224 N -0.98 3.47 -0.03 2.92 1.01 -0.30 -1.57 120.40 124.92 3hwx s VAL 224 Ca -0.03 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.46 3hwx s VAL 224 Cb -0.08 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.86 3hwx s VAL 224 CO 0.01 0.57 -0.22 -0.69 0.00 0.00 0.00 175.10 174.77 3hwx s VAL 225 N -0.40 1.75 -0.21 2.92 1.01 -0.54 -1.17 120.40 123.76 3hwx s VAL 225 Ca 0.05 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3hwx s VAL 225 Cb -0.12 -1.47 0.06 0.00 0.00 0.00 0.00 36.38 34.85 3hwx s VAL 225 CO 0.02 0.49 0.00 0.00 0.00 0.00 0.00 175.10 175.62 3hwx s ALA 226 N -0.31 1.38 0.39 5.51 0.00 -0.66 -0.74 121.76 127.34 3hwx s ALA 226 Ca 0.03 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.03 3hwx s ALA 226 Cb -0.10 -1.28 0.00 0.00 0.00 0.00 0.00 23.12 21.73 3hwx s ALA 226 CO 0.01 -1.19 0.00 0.41 0.00 0.00 0.00 175.76 174.99 3hwx n GLY 227 N 4.90 1.41 3.77 0.00 0.00 0.25 -1.27 105.19 114.24 3hwx n GLY 227 Ca -0.10 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 43.77 3hwx n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hwx s ARG 228 N 2.33 4.00 0.00 1.61 3.52 -0.63 -3.21 118.95 126.57 3hwx s ARG 228 Ca 0.00 2.07 0.00 0.00 -0.13 0.00 0.00 55.73 57.67 3hwx s ARG 228 Cb 0.00 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 3hwx s ARG 228 CO 0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 175.30 174.05 3hwx n MET 229 N 0.13 0.00 -2.97 5.12 0.00 -1.22 -3.72 117.12 114.46 3hwx n MET 229 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.34 3hwx n MET 229 Cb 0.44 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.61 3hwx n MET 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hwx s SER 230 N -0.90 7.20 0.15 3.17 1.04 -1.26 -4.86 113.70 118.23 3hwx s SER 230 Ca 0.00 1.43 0.10 0.00 0.48 0.00 0.00 55.95 57.96 3hwx s SER 230 Cb 0.00 -2.47 0.52 0.00 0.10 0.00 0.00 66.02 64.18 3hwx s SER 230 CO 0.00 -0.02 0.59 0.00 0.98 0.00 0.00 173.24 174.78 3hwx n ALA 231 N 3.01 0.43 0.09 5.32 0.00 -1.26 0.14 120.51 128.24 3hwx n ALA 231 Ca -0.02 0.36 -0.15 0.00 0.00 0.00 0.00 53.44 53.64 3hwx n ALA 231 Cb 0.50 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.43 3hwx n ALA 231 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3hwx h GLU 232 N 0.00 0.22 0.00 0.00 4.39 -1.90 -3.17 114.58 114.13 3hwx h GLU 232 Ca 0.32 -0.38 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3hwx h GLU 232 Cb 0.93 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 29.71 3hwx h GLU 232 CO -0.24 1.15 -0.11 0.93 -1.16 0.00 0.00 179.01 179.58 3hwx h GLU 233 N 0.06 0.00 0.00 2.33 5.08 0.88 -2.64 114.58 120.29 3hwx h GLU 233 Ca -0.14 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 3hwx h GLU 233 Cb 1.95 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.18 3hwx h GLU 233 CO 0.18 0.11 -0.66 0.78 -1.00 0.00 0.00 179.01 178.42 3hwx h GLY 234 N 2.66 0.00 1.34 -3.84 0.00 -1.35 -1.45 103.07 100.42 3hwx h GLY 234 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.06 3hwx h GLY 234 CO 0.01 0.00 -1.11 0.50 0.00 0.00 0.00 176.54 175.95 3hwx h LYS 235 N 0.00 0.57 -0.20 4.80 1.57 -1.48 -2.35 116.57 119.49 3hwx h LYS 235 Ca -0.01 -0.68 -0.10 0.00 -1.87 0.00 0.00 60.65 57.99 3hwx h LYS 235 Cb 1.25 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.76 3hwx h LYS 235 CO 0.09 1.28 -0.32 0.87 -0.57 0.00 0.00 179.45 180.79 3hwx h LYS 236 N 0.29 0.42 -0.20 3.15 1.57 -1.44 -2.30 116.57 118.05 3hwx h LYS 236 Ca -0.14 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.32 3hwx h LYS 236 Cb 1.77 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.06 3hwx h LYS 236 CO 0.21 0.70 -0.43 0.28 -0.57 0.00 0.00 179.45 179.63 3hwx h VAL 237 N 0.36 1.32 -0.50 0.50 2.07 -1.32 -1.78 116.25 116.90 3hwx h VAL 237 Ca 0.04 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.89 3hwx h VAL 237 Cb 0.75 1.88 -0.02 0.00 -1.52 0.00 0.00 31.29 32.38 3hwx h VAL 237 CO 0.06 0.52 0.29 0.00 0.02 0.00 0.00 177.57 178.45 3hwx h ALA 238 N 0.59 0.64 -0.06 1.67 0.00 -1.28 -1.92 119.26 118.90 3hwx h ALA 238 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hwx h ALA 238 Cb 1.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3hwx h ALA 238 CO 0.10 0.14 0.02 -0.07 0.00 0.00 0.00 179.25 179.44 3hwx h LEU 239 N 0.66 0.03 -0.72 0.00 4.07 -1.39 -2.66 115.31 115.31 3hwx h LEU 239 Ca 0.18 0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.29 3hwx h LEU 239 Cb 0.02 -0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.66 3hwx h LEU 239 CO -0.03 0.03 0.21 -0.25 -1.08 0.00 0.00 178.44 177.32 3hwx h TRP 240 N 0.06 0.35 0.05 1.13 7.01 -0.98 -2.47 115.95 121.10 3hwx h TRP 240 Ca 0.02 0.04 -0.27 0.00 2.11 0.00 0.00 58.89 60.80 3hwx h TRP 240 Cb 0.01 -0.04 0.02 0.00 -2.10 0.00 0.00 29.16 27.05 3hwx h TRP 240 CO -0.09 -0.02 -1.08 0.00 -2.79 0.00 0.00 178.44 174.46 3hwx h ALA 241 N 1.56 0.06 -0.98 2.65 0.00 -1.26 -2.75 119.26 118.55 3hwx h ALA 241 Ca 0.40 -0.71 0.20 0.00 0.00 0.00 0.00 54.91 54.79 3hwx h ALA 241 Cb 0.63 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.41 3hwx h ALA 241 CO -0.45 0.64 0.62 0.37 0.00 0.00 0.00 179.25 180.43 3hwx h GLN 242 N 0.28 0.63 0.72 0.00 4.15 -1.16 -0.44 115.11 119.29 3hwx h GLN 242 Ca -0.15 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.20 3hwx h GLN 242 Cb 1.75 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 29.30 3hwx h GLN 242 CO 0.21 0.42 -0.35 1.15 -1.93 0.00 0.00 178.83 178.33 3hwx h THR 243 N 0.65 0.17 0.00 2.39 2.02 -1.31 -2.78 112.91 114.05 3hwx h THR 243 Ca 0.55 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3hwx h THR 243 Cb 1.01 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.63 3hwx h THR 243 CO -0.31 0.02 0.14 -0.07 0.37 0.00 0.00 175.52 175.66 3hwx h LEU 244 N -1.14 0.00 0.13 2.58 3.38 -0.85 -2.72 115.31 116.69 3hwx h LEU 244 Ca -0.10 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3hwx h LEU 244 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3hwx h LEU 244 CO 0.16 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.26 3hwx n GLY 245 N -1.17 0.53 3.76 0.83 0.00 -0.33 -4.44 105.19 104.37 3hwx n GLY 245 Ca -0.02 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 3hwx n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hwx s TRP 246 N -2.09 3.36 0.35 1.61 0.52 -1.18 -2.52 118.94 118.99 3hwx s TRP 246 Ca 0.00 0.33 -0.28 0.00 0.02 0.00 0.00 56.10 56.16 3hwx s TRP 246 Cb 0.00 -1.89 -0.10 0.00 -1.15 0.00 0.00 33.47 30.33 3hwx s TRP 246 CO 0.00 0.55 1.32 -1.25 0.02 0.00 0.00 176.95 177.59 3hwx s PRO 247 N -0.78 4.26 -0.25 4.98 0.04 -1.26 -4.60 135.00 137.39 3hwx s PRO 247 Ca 0.13 2.23 -0.08 0.00 0.04 0.00 0.00 61.00 63.32 3hwx s PRO 247 Cb -0.12 -3.00 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 3hwx s PRO 247 CO 0.03 -0.27 0.09 -1.17 0.04 0.00 0.00 177.00 175.72 3hwx s LEU 248 N -1.94 3.61 -0.37 -3.56 2.96 -1.26 -1.14 118.68 116.97 3hwx s LEU 248 Ca 0.51 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 54.15 3hwx s LEU 248 Cb -0.40 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.32 3hwx s LEU 248 CO 0.53 -0.01 0.26 -0.63 -1.32 0.00 0.00 176.35 175.19 3hwx s ILE 249 N 1.46 5.23 0.07 6.68 1.01 -0.32 -4.28 121.20 131.06 3hwx s ILE 249 Ca 0.06 -0.44 0.09 0.00 0.00 0.00 0.00 60.65 60.37 3hwx s ILE 249 Cb -0.15 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.49 3hwx s ILE 249 CO 0.05 -0.15 -0.25 -0.83 0.00 0.00 0.00 174.94 173.76 3hwx s GLY 250 N 1.70 1.40 0.27 6.18 0.00 -1.26 -1.65 107.32 113.95 3hwx s GLY 250 Ca 0.05 -1.29 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 3hwx s GLY 250 CO 0.10 -1.21 0.62 -0.35 0.00 0.00 0.00 173.10 172.27 3hwx s ASP 251 N -1.46 6.65 0.59 1.64 2.15 -0.40 -4.91 116.67 120.93 3hwx s ASP 251 Ca 0.11 1.04 0.37 0.00 0.43 0.00 0.00 52.55 54.50 3hwx s ASP 251 Cb -0.10 -2.27 1.27 0.00 -0.30 0.00 0.00 42.92 41.51 3hwx s ASP 251 CO 0.03 -0.15 1.41 1.33 -0.17 0.00 0.00 175.17 177.63 3hwx n VAL 252 N -0.34 0.00 1.27 1.11 0.24 -1.26 0.35 118.33 119.69 3hwx n VAL 252 Ca 0.01 1.36 0.13 0.00 -2.04 0.00 0.00 64.34 63.80 3hwx n VAL 252 Cb 0.53 -2.36 0.33 0.00 -1.47 0.00 0.00 33.84 30.87 3hwx n VAL 252 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3hwx n LEU 253 N -3.53 1.81 0.02 1.34 4.77 -1.26 -4.29 117.00 115.85 3hwx n LEU 253 Ca 0.33 -0.59 0.01 0.00 -0.03 0.00 0.00 56.01 55.72 3hwx n LEU 253 Cb 1.75 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 42.73 3hwx n LEU 253 CO 0.33 0.31 -0.37 -1.54 -1.33 0.00 0.00 177.39 174.79 3hwx n SER 254 N 0.24 0.73 -3.76 -1.43 3.41 0.15 -3.39 113.62 109.57 3hwx n SER 254 Ca 0.15 0.32 -0.26 0.00 -0.26 0.00 0.00 58.87 58.82 3hwx n SER 254 Cb 0.42 0.39 0.04 0.00 -0.26 0.00 0.00 64.21 64.80 3hwx n SER 254 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n GLN 255 N -2.81 -6.01 -0.00 4.33 6.02 -1.25 -4.03 117.38 113.62 3hwx n GLN 255 Ca -0.10 0.67 0.10 0.00 -0.01 0.00 0.00 57.00 57.66 3hwx n GLN 255 Cb 0.82 -5.53 -0.11 0.00 1.02 0.00 0.00 30.24 26.43 3hwx n GLN 255 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hwx n THR 256 N -4.63 0.00 -0.34 5.09 -2.24 -1.26 -1.82 114.28 109.09 3hwx n THR 256 Ca -0.07 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3hwx n THR 256 Cb 0.58 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3hwx n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hwx n GLY 257 N 1.47 0.86 3.55 3.38 0.00 -1.23 -4.46 105.19 108.75 3hwx n GLY 257 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3hwx n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 258 N -2.00 -1.70 0.26 1.61 6.02 -1.26 -4.67 117.38 115.64 3hwx n GLN 258 Ca 0.00 1.16 0.15 0.00 -0.01 0.00 0.00 57.00 58.30 3hwx n GLN 258 Cb 0.00 -2.87 0.63 0.00 1.02 0.00 0.00 30.24 29.02 3hwx n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3hwx h PRO 259 N 0.71 0.00 -2.33 -1.09 0.13 -1.85 -3.16 132.00 124.41 3hwx h PRO 259 Ca -0.49 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.99 3hwx h PRO 259 Cb 1.33 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.07 3hwx h PRO 259 CO 0.30 0.05 -0.26 1.28 -0.23 0.00 0.00 178.00 179.14 3hwx n LEU 260 N -3.18 4.67 -4.63 1.56 4.77 -1.26 -4.99 117.00 113.94 3hwx n LEU 260 Ca 0.00 -5.48 -0.29 0.00 -0.03 0.00 0.00 56.01 50.22 3hwx n LEU 260 Cb 0.33 -0.77 0.19 0.00 -2.33 0.00 0.00 43.42 40.85 3hwx n LEU 260 CO 0.29 2.09 0.61 -2.16 -1.33 0.00 0.00 177.39 176.89 3hwx s PRO 261 N -2.97 0.10 -1.51 3.23 0.05 -1.20 -3.85 135.00 128.84 3hwx s PRO 261 Ca 0.41 0.61 -0.05 0.00 0.05 0.00 0.00 61.00 62.02 3hwx s PRO 261 Cb 0.18 -1.69 0.01 0.00 0.05 0.00 0.00 34.50 33.04 3hwx s PRO 261 CO -0.04 -2.98 0.67 0.00 0.05 0.00 0.00 177.00 174.70 3hwx h ALA 263 N 0.99 1.12 0.00 0.00 0.00 -1.82 0.23 119.26 119.77 3hwx h ALA 263 Ca -0.53 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3hwx h ALA 263 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3hwx h ALA 263 CO 0.56 -0.01 0.00 0.22 0.00 0.00 0.00 179.25 180.02 3hwx h ASP 264 N 0.00 0.00 0.00 0.00 3.58 -1.84 -0.91 116.42 117.25 3hwx h ASP 264 Ca 0.00 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.18 3hwx h ASP 264 Cb 0.01 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.02 3hwx h ASP 264 CO -0.00 0.00 -1.74 0.18 -2.88 0.00 0.00 179.24 174.80 3hwx n LEU 265 N -2.88 1.92 0.09 2.28 4.77 0.53 -4.56 117.00 119.14 3hwx n LEU 265 Ca 0.03 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.51 3hwx n LEU 265 Cb 0.39 -0.85 0.45 0.00 -2.33 0.00 0.00 43.42 41.08 3hwx n LEU 265 CO 0.29 0.24 0.84 -2.67 -1.33 0.00 0.00 177.39 174.76 3hwx n TRP 266 N -4.37 0.59 0.84 -1.77 4.27 0.27 -2.35 117.44 114.92 3hwx n TRP 266 Ca -0.37 0.21 0.09 0.00 -3.89 0.00 0.00 57.50 53.55 3hwx n TRP 266 Cb 0.70 -0.85 0.47 0.00 -1.36 0.00 0.00 31.31 30.27 3hwx n TRP 266 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3hwx n LEU 267 N -2.02 0.00 -1.19 5.67 4.77 -0.35 -2.62 117.00 121.27 3hwx n LEU 267 Ca 0.03 0.35 0.11 0.00 -0.03 0.00 0.00 56.01 56.48 3hwx n LEU 267 Cb 0.26 -0.35 0.27 0.00 -2.33 0.00 0.00 43.42 41.27 3hwx n LEU 267 CO 0.21 -0.12 0.74 0.61 -1.33 0.00 0.00 177.39 177.49 3hwx n GLY 268 N 0.39 1.90 3.66 -0.72 0.00 -0.99 -4.65 105.19 104.79 3hwx n GLY 268 Ca 0.08 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 3hwx n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hwx s ASN 269 N -1.25 6.23 0.35 1.61 3.84 -1.08 -4.47 114.94 120.17 3hwx s ASN 269 Ca 0.42 0.26 0.15 0.00 0.21 0.00 0.00 52.86 53.90 3hwx s ASN 269 Cb 0.23 -2.15 1.05 0.00 -0.55 0.00 0.00 41.25 39.83 3hwx s ASN 269 CO 0.31 0.01 1.70 0.00 -2.79 0.00 0.00 177.10 176.33 3hwx h ALA 270 N 7.47 2.00 -0.48 1.71 0.00 -1.89 0.51 119.26 128.59 3hwx h ALA 270 Ca -0.37 0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.76 3hwx h ALA 270 Cb 1.17 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.99 3hwx h ALA 270 CO 0.68 -0.54 0.13 0.87 0.00 0.00 0.00 179.25 180.39 3hwx h LYS 271 N 0.40 0.27 -0.32 0.00 1.57 -1.93 -0.11 116.57 116.46 3hwx h LYS 271 Ca 0.69 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 59.51 3hwx h LYS 271 Cb 1.57 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.74 3hwx h LYS 271 CO -0.51 0.18 -0.51 0.00 -0.57 0.00 0.00 179.45 178.05 3hwx h ALA 272 N 1.34 -0.70 -0.88 3.86 0.00 -1.16 -2.65 119.26 119.08 3hwx h ALA 272 Ca 0.23 0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.23 3hwx h ALA 272 Cb 0.28 1.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.01 3hwx h ALA 272 CO -0.27 -1.00 0.57 1.79 0.00 0.00 0.00 179.25 180.34 3hwx h THR 273 N -0.43 1.00 -0.23 0.00 1.35 -1.02 -2.01 112.91 111.56 3hwx h THR 273 Ca 0.08 -0.31 -0.07 0.00 -0.55 0.00 0.00 66.41 65.56 3hwx h THR 273 Cb 0.62 0.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3hwx h THR 273 CO -0.54 0.17 -0.14 0.28 -0.25 0.00 0.00 175.52 175.04 3hwx h SER 274 N 0.91 0.53 -0.16 5.36 0.02 -0.93 -1.24 113.55 118.03 3hwx h SER 274 Ca 0.40 -0.43 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 3hwx h SER 274 Cb 0.34 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3hwx h SER 274 CO -0.16 0.84 0.06 -0.08 -1.14 0.00 0.00 176.83 176.35 3hwx h GLU 275 N 0.21 0.24 0.00 3.45 4.81 -1.21 -2.86 114.58 119.23 3hwx h GLU 275 Ca 0.05 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 3hwx h GLU 275 Cb 0.65 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.99 3hwx h GLU 275 CO 0.04 0.34 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.44 3hwx h LEU 276 N 0.10 0.00 -1.19 1.64 3.38 -1.34 -1.78 115.31 116.11 3hwx h LEU 276 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3hwx h LEU 276 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3hwx h LEU 276 CO -0.00 0.15 0.00 1.67 0.09 0.00 0.00 178.44 180.35 3hwx n GLN 277 N -4.13 0.14 0.01 1.13 7.27 -0.47 -1.84 117.38 119.48 3hwx n GLN 277 Ca -0.02 0.59 0.13 0.00 0.07 0.00 0.00 57.00 57.76 3hwx n GLN 277 Cb 0.23 -1.91 0.37 0.00 2.41 0.00 0.00 30.24 31.34 3hwx n GLN 277 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3hwx n GLN 278 N -2.20 0.04 -2.17 3.69 6.02 -0.67 -4.93 117.38 117.16 3hwx n GLN 278 Ca -0.01 0.02 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3hwx n GLN 278 Cb 0.07 -1.53 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 3hwx n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwx s ALA 279 N -3.02 3.59 -0.17 -1.58 0.00 -0.77 -4.85 121.76 114.96 3hwx s ALA 279 Ca 0.11 1.02 0.17 0.00 0.00 0.00 0.00 51.96 53.27 3hwx s ALA 279 Cb 0.17 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 3hwx s ALA 279 CO 0.64 -0.80 1.10 1.96 0.00 0.00 0.00 175.76 178.67 3hwx h GLN 280 N 7.42 0.00 -3.44 0.00 4.20 -0.82 -3.38 115.11 119.09 3hwx h GLN 280 Ca -0.40 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.11 3hwx h GLN 280 Cb 1.20 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.71 3hwx h GLN 280 CO 0.89 0.30 -0.57 -1.50 -0.67 0.00 0.00 178.83 177.28 3hwx s ILE 281 N -3.02 0.01 -0.08 2.54 1.10 -1.15 0.33 121.20 120.94 3hwx s ILE 281 Ca 0.00 -0.06 0.05 0.00 -0.51 0.00 0.00 60.65 60.13 3hwx s ILE 281 Cb 0.08 -0.21 -0.01 0.00 0.15 0.00 0.00 42.46 42.48 3hwx s ILE 281 CO 0.78 -0.03 -0.24 -0.69 -2.11 0.00 0.00 174.94 172.64 3hwx s VAL 282 N -0.06 2.12 -0.26 4.00 1.01 -0.13 -2.48 120.40 124.60 3hwx s VAL 282 Ca -0.01 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 60.94 3hwx s VAL 282 Cb -0.02 -1.79 0.04 0.00 0.00 0.00 0.00 36.38 34.62 3hwx s VAL 282 CO 0.00 0.56 -0.07 -0.69 0.00 0.00 0.00 175.10 174.91 3hwx s VAL 283 N 0.05 2.63 -0.19 2.92 1.01 -0.61 0.05 120.40 126.26 3hwx s VAL 283 Ca -0.10 -1.32 -0.09 0.00 0.00 0.00 0.00 61.98 60.47 3hwx s VAL 283 Cb -0.15 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 3hwx s VAL 283 CO 0.06 0.06 0.12 -1.58 0.00 0.00 0.00 175.10 173.76 3hwx s GLN 284 N 1.23 4.07 0.02 2.72 0.74 0.33 -1.47 119.66 127.30 3hwx s GLN 284 Ca -0.04 -0.24 0.07 0.00 0.05 0.00 0.00 55.36 55.20 3hwx s GLN 284 Cb -0.18 -3.35 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 3hwx s GLN 284 CO -0.04 0.34 -0.20 -0.51 -0.55 0.00 0.00 175.29 174.33 3hwx s LEU 285 N 0.22 2.47 0.00 3.68 2.01 0.08 0.28 118.68 127.42 3hwx s LEU 285 Ca 0.08 -0.43 0.00 0.00 0.01 0.00 0.00 54.13 53.79 3hwx s LEU 285 Cb -0.11 -1.46 0.00 0.00 0.01 0.00 0.00 46.19 44.63 3hwx s LEU 285 CO -0.01 0.28 0.00 0.61 1.01 0.00 0.00 176.35 178.24 3hwx n GLY 286 N 1.83 -1.82 2.73 -3.19 0.00 -0.52 0.85 105.19 105.06 3hwx n GLY 286 Ca -0.16 -1.30 -0.03 0.00 0.00 0.00 0.00 46.02 44.52 3hwx n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hwx n SER 287 N -1.33 -1.36 -1.49 1.61 3.41 -1.24 -4.43 113.62 108.79 3hwx n SER 287 Ca 0.00 -1.80 -0.12 0.00 -0.26 0.00 0.00 58.87 56.70 3hwx n SER 287 Cb 0.11 2.24 0.00 0.00 -0.26 0.00 0.00 64.21 66.30 3hwx n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hwx n SER 288 N -1.18 -3.85 -4.43 4.04 7.64 -1.26 -1.60 113.62 112.98 3hwx n SER 288 Ca -0.03 -0.07 -0.49 0.00 1.01 0.00 0.00 58.87 59.29 3hwx n SER 288 Cb 0.42 -2.94 -0.03 0.00 -1.01 0.00 0.00 64.21 60.65 3hwx n SER 288 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3hwx n LEU 289 N -1.92 -0.74 -0.07 -3.43 7.99 -1.26 -4.83 117.00 112.75 3hwx n LEU 289 Ca -0.11 1.14 -0.05 0.00 -0.01 0.00 0.00 56.01 56.98 3hwx n LEU 289 Cb 0.59 -0.99 -0.02 0.00 -0.11 0.00 0.00 43.42 42.89 3hwx n LEU 289 CO 0.20 -2.68 -0.22 0.74 -1.51 0.00 0.00 177.39 173.92 3hwx h THR 290 N 1.33 0.14 -3.80 -5.08 2.02 -1.96 -3.48 112.91 102.08 3hwx h THR 290 Ca -0.32 -1.14 -0.48 0.00 0.77 0.00 0.00 66.41 65.24 3hwx h THR 290 Cb 1.43 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 3hwx h THR 290 CO 0.58 0.05 0.15 -0.83 0.37 0.00 0.00 175.52 175.84 3hwx s GLY 291 N -4.06 2.30 0.24 2.16 0.00 -1.26 -4.97 107.32 101.72 3hwx s GLY 291 Ca -0.11 0.08 -0.08 0.00 0.00 0.00 0.00 44.72 44.61 3hwx s GLY 291 CO 0.19 0.30 1.63 1.70 0.00 0.00 0.00 173.10 176.93 3hwx h LYS 292 N 2.06 0.08 0.00 2.90 3.64 -1.94 -2.86 116.57 120.45 3hwx h LYS 292 Ca -0.48 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 58.78 3hwx h LYS 292 Cb 1.18 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 3hwx h LYS 292 CO 0.64 0.06 -0.54 0.00 -2.27 0.00 0.00 179.45 177.34 3hwx h ARG 293 N 0.09 0.00 0.22 1.90 2.47 -1.91 -1.90 114.38 115.24 3hwx h ARG 293 Ca 0.39 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.10 3hwx h ARG 293 Cb 0.67 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.99 3hwx h ARG 293 CO -0.66 0.54 -0.10 1.25 0.56 0.00 0.00 179.97 181.56 3hwx h LEU 294 N 0.00 -0.25 -1.51 3.04 5.85 -1.81 0.74 115.31 121.38 3hwx h LEU 294 Ca -0.01 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.56 3hwx h LEU 294 Cb 1.32 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.37 3hwx h LEU 294 CO 0.07 0.10 0.41 -0.07 -0.34 0.00 0.00 178.44 178.61 3hwx h LEU 295 N -0.61 0.53 -0.33 2.25 3.38 -1.35 0.89 115.31 120.07 3hwx h LEU 295 Ca -0.03 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 3hwx h LEU 295 Cb 0.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3hwx h LEU 295 CO 0.05 0.34 -0.66 1.56 0.09 0.00 0.00 178.44 179.82 3hwx h GLN 296 N 0.60 0.68 -0.20 1.13 4.20 -1.31 0.65 115.11 120.85 3hwx h GLN 296 Ca 0.27 -0.49 -0.02 0.00 0.06 0.00 0.00 58.65 58.46 3hwx h GLN 296 Cb 0.28 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3hwx h GLN 296 CO -0.08 1.11 0.04 2.35 -0.67 0.00 0.00 178.83 181.59 3hwx h TRP 297 N 0.49 0.35 -0.71 2.96 7.01 0.25 -2.59 115.95 123.71 3hwx h TRP 297 Ca -0.02 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.92 3hwx h TRP 297 Cb 1.26 -0.10 -0.03 0.00 -2.10 0.00 0.00 29.16 28.19 3hwx h TRP 297 CO 0.06 0.46 0.37 0.37 -2.79 0.00 0.00 178.44 176.92 3hwx h GLN 298 N 0.14 1.00 -0.34 2.65 4.15 0.71 -1.74 115.11 121.68 3hwx h GLN 298 Ca 0.06 -0.13 0.05 0.00 0.77 0.00 0.00 58.65 59.41 3hwx h GLN 298 Cb 0.29 -0.19 -0.05 0.00 0.21 0.00 0.00 27.48 27.74 3hwx h GLN 298 CO 0.00 0.76 0.05 0.00 -1.93 0.00 0.00 178.83 177.71 3hwx h ALA 299 N 1.19 0.35 0.00 3.38 0.00 -0.88 -3.31 119.26 119.98 3hwx h ALA 299 Ca 0.25 0.08 -0.26 0.00 0.00 0.00 0.00 54.91 54.98 3hwx h ALA 299 Cb 0.06 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hwx h ALA 299 CO -0.04 -0.36 -1.45 0.66 0.00 0.00 0.00 179.25 178.07 3hwx h SER 300 N 0.16 0.00 -3.79 0.00 4.64 -1.09 -3.47 113.55 110.00 3hwx h SER 300 Ca 0.16 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.92 3hwx h SER 300 Cb 0.20 0.00 0.17 0.00 -0.31 0.00 0.00 62.40 62.46 3hwx h SER 300 CO -0.23 0.98 0.20 0.00 -0.87 0.00 0.00 176.83 176.91 3hwx n GLU 302 N -1.61 0.85 -0.47 0.00 1.02 -1.26 -5.03 120.64 114.14 3hwx n GLU 302 Ca 0.14 -3.23 -0.28 0.00 -0.02 0.00 0.00 57.16 53.76 3hwx n GLU 302 Cb 0.48 -1.47 0.26 0.00 -0.02 0.00 0.00 31.44 30.70 3hwx n GLU 302 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3hwx n PRO 303 N 0.80 -2.59 0.17 3.49 -0.04 -1.26 -4.88 135.00 130.69 3hwx n PRO 303 Ca 0.22 -0.73 0.04 0.00 -0.04 0.00 0.00 63.50 62.99 3hwx n PRO 303 Cb 0.60 -2.12 0.44 0.00 -0.04 0.00 0.00 33.50 32.38 3hwx n PRO 303 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3hwx h GLU 304 N -2.72 0.12 -3.72 0.54 5.08 -0.32 -3.46 114.58 110.10 3hwx h GLU 304 Ca -0.63 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 57.55 3hwx h GLU 304 Cb 1.34 -0.02 -0.21 0.00 0.50 0.00 0.00 28.75 30.37 3hwx h GLU 304 CO 0.49 0.29 -0.58 -1.21 -1.00 0.00 0.00 179.01 177.00 3hwx s GLU 305 N -4.66 0.42 -0.10 2.33 2.02 -1.00 -4.83 118.70 112.89 3hwx s GLU 305 Ca -0.05 -0.51 -0.01 0.00 0.02 0.00 0.00 54.97 54.42 3hwx s GLU 305 Cb 0.16 0.17 0.03 0.00 0.10 0.00 0.00 34.13 34.58 3hwx s GLU 305 CO 0.72 -0.09 -0.03 -0.47 0.02 0.00 0.00 175.26 175.40 3hwx s TYR 306 N -1.50 1.08 -0.20 1.61 6.14 -0.70 -0.95 117.35 122.82 3hwx s TYR 306 Ca -0.15 -0.49 -0.04 0.00 0.64 0.00 0.00 57.07 57.03 3hwx s TYR 306 Cb -0.08 -1.02 -0.02 0.00 0.42 0.00 0.00 41.96 41.26 3hwx s TYR 306 CO 0.00 -0.43 -0.02 -1.58 0.64 0.00 0.00 175.55 174.16 3hwx s TRP 307 N 1.84 3.01 -0.21 4.97 0.52 0.11 -0.46 118.94 128.72 3hwx s TRP 307 Ca 0.04 -0.54 -0.07 0.00 0.02 0.00 0.00 56.10 55.55 3hwx s TRP 307 Cb -0.13 -2.07 -0.04 0.00 -1.15 0.00 0.00 33.47 30.09 3hwx s TRP 307 CO -0.07 -0.28 0.06 0.42 0.02 0.00 0.00 176.95 177.10 3hwx s ILE 308 N 1.02 4.53 -0.27 2.03 1.01 -0.61 0.12 121.20 129.02 3hwx s ILE 308 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.48 3hwx s ILE 308 Cb -0.14 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.24 3hwx s ILE 308 CO 0.01 0.41 0.08 -0.69 0.00 0.00 0.00 174.94 174.75 3hwx s VAL 309 N 0.88 4.20 0.03 2.92 1.01 0.14 -0.02 120.40 129.57 3hwx s VAL 309 Ca 0.03 -0.40 -0.16 0.00 0.00 0.00 0.00 61.98 61.45 3hwx s VAL 309 Cb -0.14 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 33.21 3hwx s VAL 309 CO 0.02 0.21 0.37 -0.62 0.00 0.00 0.00 175.10 175.08 3hwx s ASP 310 N 1.57 -0.23 -0.01 3.32 -1.08 -0.72 -1.44 116.67 118.09 3hwx s ASP 310 Ca 0.05 -0.03 0.01 0.00 -0.52 0.00 0.00 52.55 52.05 3hwx s ASP 310 Cb -0.16 0.39 0.04 0.00 -1.46 0.00 0.00 42.92 41.73 3hwx s ASP 310 CO 0.03 -0.61 0.78 -0.90 0.52 0.00 0.00 175.17 174.99 3hwx n ASP 311 N 0.65 0.79 -4.50 -0.34 5.75 -0.55 -1.58 116.55 116.77 3hwx n ASP 311 Ca -0.19 -2.03 -0.27 0.00 -0.01 0.00 0.00 54.79 52.29 3hwx n ASP 311 Cb 0.59 -0.29 -0.11 0.00 -1.03 0.00 0.00 41.12 40.28 3hwx n ASP 311 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3hwx s ILE 312 N -1.48 2.77 0.56 2.12 -4.36 -1.26 -4.88 121.20 114.67 3hwx s ILE 312 Ca 0.03 -1.81 -0.04 0.00 -0.26 0.00 0.00 60.65 58.58 3hwx s ILE 312 Cb 0.02 -2.34 0.01 0.00 1.25 0.00 0.00 42.46 41.40 3hwx s ILE 312 CO 0.01 -0.09 0.83 -1.61 0.24 0.00 0.00 174.94 174.33 3hwx s GLU 313 N -2.68 2.86 0.09 0.37 2.02 -1.26 -4.88 118.70 115.23 3hwx s GLU 313 Ca 0.22 -0.23 0.00 0.00 0.02 0.00 0.00 54.97 54.98 3hwx s GLU 313 Cb -0.09 -2.36 0.00 0.00 0.10 0.00 0.00 34.13 31.78 3hwx s GLU 313 CO 0.12 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.19 3hwx n GLY 314 N -2.45 -1.63 3.73 -1.39 0.00 -1.26 -4.90 105.19 97.30 3hwx n GLY 314 Ca 0.04 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.22 3hwx n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 315 N -1.60 4.54 0.00 1.61 0.52 -1.26 -4.96 118.95 117.80 3hwx s ARG 315 Ca 0.00 1.76 0.05 0.00 -0.52 0.00 0.00 55.73 57.02 3hwx s ARG 315 Cb 0.00 -3.28 0.10 0.00 0.52 0.00 0.00 34.95 32.29 3hwx s ARG 315 CO 0.00 -0.01 0.95 1.28 0.02 0.00 0.00 175.30 177.53 3hwx n LEU 316 N 2.62 2.04 -4.08 2.53 4.77 -1.26 -4.97 117.00 118.65 3hwx n LEU 316 Ca 0.04 -1.65 -0.36 0.00 -0.03 0.00 0.00 56.01 54.01 3hwx n LEU 316 Cb 0.46 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 3hwx n LEU 316 CO 0.55 0.49 0.03 -0.62 -1.33 0.00 0.00 177.39 176.51 3hwx s ASP 317 N -0.78 5.17 0.32 -1.43 2.15 -1.26 -4.84 116.67 115.99 3hwx s ASP 317 Ca 0.08 -2.91 0.08 0.00 0.43 0.00 0.00 52.55 50.23 3hwx s ASP 317 Cb 0.05 -1.84 0.92 0.00 -0.30 0.00 0.00 42.92 41.74 3hwx s ASP 317 CO 0.06 -0.35 1.63 -0.65 -0.17 0.00 0.00 175.17 175.70 3hwx h PRO 318 N 6.93 0.18 0.00 4.34 0.11 -1.99 0.30 132.00 141.88 3hwx h PRO 318 Ca -0.01 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3hwx h PRO 318 Cb 0.94 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3hwx h PRO 318 CO 0.71 0.12 -0.09 0.00 -0.21 0.00 0.00 178.00 178.53 3hwx n ALA 319 N -2.58 2.54 -2.75 -0.75 0.00 -1.26 -4.98 120.51 110.73 3hwx n ALA 319 Ca 0.27 -0.14 -0.09 0.00 0.00 0.00 0.00 53.44 53.48 3hwx n ALA 319 Cb 0.87 -1.41 0.05 0.00 0.00 0.00 0.00 19.45 18.95 3hwx n ALA 319 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hwx n HIS 320 N -1.52 -1.14 -2.10 0.00 8.25 0.11 -4.96 115.22 113.86 3hwx n HIS 320 Ca 0.07 0.49 -0.33 0.00 -0.26 0.00 0.00 57.72 57.69 3hwx n HIS 320 Cb 0.34 -3.58 0.01 0.00 1.12 0.00 0.00 29.99 27.88 3hwx n HIS 320 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3hwx s HIS 321 N -3.19 2.98 0.23 4.41 3.76 -1.26 -4.97 115.29 117.26 3hwx s HIS 321 Ca 0.01 1.52 -0.31 0.00 -0.15 0.00 0.00 55.06 56.12 3hwx s HIS 321 Cb -0.00 -3.02 -0.12 0.00 1.11 0.00 0.00 32.58 30.55 3hwx s HIS 321 CO 0.38 -1.10 1.67 0.50 -0.85 0.00 0.00 174.74 175.34 3hwx s ARG 322 N -3.98 4.13 0.00 1.40 3.52 -1.26 -4.76 118.95 118.01 3hwx s ARG 322 Ca 0.64 2.57 0.00 0.00 -0.13 0.00 0.00 55.73 58.81 3hwx s ARG 322 Cb -0.16 -3.07 0.00 0.00 -1.56 0.00 0.00 34.95 30.16 3hwx s ARG 322 CO 0.35 -0.70 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 3hwx n GLY 323 N 3.46 -0.49 3.18 8.12 0.00 -1.26 -1.72 105.19 116.47 3hwx n GLY 323 Ca 0.14 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hwx n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwx s ARG 324 N 0.00 0.65 -0.25 1.61 0.52 0.40 -4.92 118.95 116.96 3hwx s ARG 324 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.70 3hwx s ARG 324 Cb 0.00 0.27 0.07 0.00 0.52 0.00 0.00 34.95 35.81 3hwx s ARG 324 CO 0.00 -0.18 -0.00 0.50 0.02 0.00 0.00 175.30 175.63 3hwx s ARG 325 N -2.14 1.31 -0.14 3.54 6.06 -1.26 -1.58 118.95 124.73 3hwx s ARG 325 Ca -0.08 -1.00 -0.03 0.00 -2.50 0.00 0.00 55.73 52.12 3hwx s ARG 325 Cb -0.03 -2.48 -0.03 0.00 0.06 0.00 0.00 34.95 32.48 3hwx s ARG 325 CO -0.02 -0.70 -0.05 -0.51 -2.50 0.00 0.00 175.30 171.52 3hwx s LEU 326 N 1.46 3.18 -0.39 -0.88 1.43 0.97 -5.00 118.68 119.45 3hwx s LEU 326 Ca -0.01 -0.14 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 3hwx s LEU 326 Cb -0.18 -1.75 0.03 0.00 0.03 0.00 0.00 46.19 44.32 3hwx s LEU 326 CO -0.10 0.19 0.23 -0.63 0.23 0.00 0.00 176.35 176.27 3hwx s ILE 327 N 0.24 4.61 0.17 -0.59 1.09 -1.26 -1.75 121.20 123.72 3hwx s ILE 327 Ca -0.04 -0.92 -0.22 0.00 -1.10 0.00 0.00 60.65 58.37 3hwx s ILE 327 Cb -0.14 -3.61 0.06 0.00 -1.06 0.00 0.00 42.46 37.71 3hwx s ILE 327 CO 0.03 -0.29 0.60 0.00 -0.10 0.00 0.00 174.94 175.19 3hwx s ALA 328 N 1.55 -1.51 0.25 9.38 0.00 -0.62 -0.95 121.76 129.87 3hwx s ALA 328 Ca 0.02 0.36 -0.31 0.00 0.00 0.00 0.00 51.96 52.04 3hwx s ALA 328 Cb -0.20 0.88 -0.11 0.00 0.00 0.00 0.00 23.12 23.69 3hwx s ALA 328 CO 0.06 -0.79 1.60 1.21 0.00 0.00 0.00 175.76 177.84 3hwx s ASN 329 N -2.77 6.43 0.09 0.00 3.84 -1.26 -1.48 114.94 119.78 3hwx s ASN 329 Ca 0.02 2.86 -0.19 0.00 0.21 0.00 0.00 52.86 55.77 3hwx s ASN 329 Cb -0.01 -2.62 -0.08 0.00 -0.55 0.00 0.00 41.25 37.98 3hwx s ASN 329 CO -0.11 -0.89 1.56 0.40 -2.79 0.00 0.00 177.10 175.27 3hwx h ILE 330 N 3.57 1.23 -0.30 -5.21 2.04 -1.93 -1.18 117.51 115.72 3hwx h ILE 330 Ca -0.45 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 64.64 3hwx h ILE 330 Cb 1.21 1.27 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 3hwx h ILE 330 CO 0.84 0.24 0.20 0.00 0.00 0.00 0.00 178.15 179.43 3hwx h ALA 331 N 0.85 1.80 -0.32 1.87 0.00 -1.93 0.12 119.26 121.65 3hwx h ALA 331 Ca 0.07 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3hwx h ALA 331 Cb 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hwx h ALA 331 CO 0.00 0.18 -0.48 -0.44 0.00 0.00 0.00 179.25 178.52 3hwx h ASP 332 N 0.39 0.97 -0.68 0.00 5.19 -1.91 -3.13 116.42 117.25 3hwx h ASP 332 Ca 0.11 -0.51 -0.06 0.00 -0.62 0.00 0.00 57.03 55.95 3hwx h ASP 332 Cb -0.03 -0.28 -0.03 0.00 0.18 0.00 0.00 39.33 39.17 3hwx h ASP 332 CO -0.02 1.29 0.19 -0.25 -3.12 0.00 0.00 179.24 177.32 3hwx h TRP 333 N 0.68 1.13 0.00 4.55 7.01 0.46 -0.93 115.95 128.85 3hwx h TRP 333 Ca 0.03 -0.13 -0.03 0.00 2.11 0.00 0.00 58.89 60.87 3hwx h TRP 333 Cb 1.08 -0.32 -0.00 0.00 -2.10 0.00 0.00 29.16 27.82 3hwx h TRP 333 CO 0.07 0.92 -0.16 -0.07 -2.79 0.00 0.00 178.44 176.41 3hwx h LEU 334 N 1.02 0.00 -0.31 0.65 3.38 -1.26 -0.64 115.31 118.15 3hwx h LEU 334 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hwx h LEU 334 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hwx h LEU 334 CO -0.00 0.16 0.00 -0.33 0.09 0.00 0.00 178.44 178.36 3hwx h GLU 335 N 0.00 0.00 0.00 1.13 5.08 -1.13 -3.07 114.58 116.58 3hwx h GLU 335 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 3hwx h GLU 335 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 3hwx h GLU 335 CO 0.02 0.00 -2.07 -0.11 -1.00 0.00 0.00 179.01 175.85 3hwx n LEU 336 N -2.50 0.20 -3.31 1.33 7.94 -0.55 -4.54 117.00 115.57 3hwx n LEU 336 Ca 0.04 0.09 -0.26 0.00 -1.11 0.00 0.00 56.01 54.77 3hwx n LEU 336 Cb 0.39 0.27 -0.07 0.00 0.53 0.00 0.00 43.42 44.54 3hwx n LEU 336 CO 0.28 0.29 -0.06 1.41 -1.11 0.00 0.00 177.39 178.21 3hwx n HIS 337 N -2.66 2.15 -2.46 1.96 8.25 -0.36 -4.90 115.22 117.21 3hwx n HIS 337 Ca -0.20 -3.93 -0.41 0.00 -0.26 0.00 0.00 57.72 52.92 3hwx n HIS 337 Cb 0.94 -0.48 -0.04 0.00 1.12 0.00 0.00 29.99 31.53 3hwx n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hwx s PRO 338 N -2.06 4.54 0.53 -0.41 0.04 -1.19 -4.79 135.00 131.65 3hwx s PRO 338 Ca 0.39 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 63.02 3hwx s PRO 338 Cb 0.17 -3.27 -0.11 0.00 0.04 0.00 0.00 34.50 31.33 3hwx s PRO 338 CO -0.05 -0.02 0.41 0.00 0.04 0.00 0.00 177.00 177.38 3hwx n ALA 339 N 2.58 -1.56 -3.46 8.56 0.00 -1.26 -5.03 120.51 120.34 3hwx n ALA 339 Ca 0.04 0.01 -0.29 0.00 0.00 0.00 0.00 53.44 53.20 3hwx n ALA 339 Cb 0.46 -1.74 -0.17 0.00 0.00 0.00 0.00 19.45 18.00 3hwx n ALA 339 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hwx s GLU 340 N -1.78 2.35 -0.85 0.00 2.12 -1.26 -4.98 118.70 114.30 3hwx s GLU 340 Ca 0.65 -0.63 -0.23 0.00 0.36 0.00 0.00 54.97 55.12 3hwx s GLU 340 Cb -0.49 -1.89 -0.18 0.00 0.26 0.00 0.00 34.13 31.84 3hwx s GLU 340 CO 0.57 0.04 2.27 1.63 -0.54 0.00 0.00 175.26 179.24 3hwx n LYS 341 N 3.86 0.38 -2.93 4.30 5.02 -1.26 -4.18 118.16 123.35 3hwx n LYS 341 Ca -0.20 -0.91 -0.18 0.00 -2.02 0.00 0.00 58.31 54.99 3hwx n LYS 341 Cb 0.52 -3.36 0.03 0.00 -0.02 0.00 0.00 35.03 32.21 3hwx n LYS 341 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3hwx n ARG 342 N 8.14 0.73 -4.29 1.97 1.74 -1.02 -5.02 116.66 118.90 3hwx n ARG 342 Ca 0.46 -2.67 -0.33 0.00 -0.77 0.00 0.00 57.85 54.55 3hwx n ARG 342 Cb 0.41 -0.01 -0.09 0.00 -1.02 0.00 0.00 32.46 31.75 3hwx n ARG 342 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3hwx s GLN 343 N -4.04 2.81 0.48 5.56 -2.07 -1.26 -4.27 119.66 116.86 3hwx s GLN 343 Ca 0.41 -0.59 -0.20 0.00 -1.82 0.00 0.00 55.36 53.16 3hwx s GLN 343 Cb -0.03 -2.68 -0.12 0.00 -1.09 0.00 0.00 33.01 29.08 3hwx s GLN 343 CO 0.26 0.63 0.33 -2.30 -1.32 0.00 0.00 175.29 172.90 3hwx n PRO 344 N 1.46 0.35 0.00 9.60 -0.02 -1.26 -4.63 135.00 140.51 3hwx n PRO 344 Ca -0.15 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.46 3hwx n PRO 344 Cb 0.53 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.62 3hwx n PRO 344 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3hwx n TRP 345 N -1.27 0.00 -2.60 6.00 4.27 -1.05 -5.01 117.44 117.78 3hwx n TRP 345 Ca 0.11 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.33 3hwx n TRP 345 Cb 0.44 0.00 -0.05 0.00 -1.36 0.00 0.00 31.31 30.34 3hwx n TRP 345 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hwx n VAL 347 N 0.70 0.00 -0.02 0.00 0.31 -1.26 -4.84 118.33 113.22 3hwx n VAL 347 Ca 0.01 0.00 0.02 0.00 -0.01 0.00 0.00 64.34 64.36 3hwx n VAL 347 Cb 0.48 -0.89 -0.09 0.00 -0.91 0.00 0.00 33.84 32.43 3hwx n VAL 347 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3hwx n GLU 348 N -1.90 1.02 -0.08 5.55 0.28 -1.26 -4.37 120.64 119.88 3hwx n GLU 348 Ca 0.00 -0.07 -0.07 0.00 -0.16 0.00 0.00 57.16 56.86 3hwx n GLU 348 Cb 0.45 -1.29 -0.01 0.00 1.43 0.00 0.00 31.44 32.02 3hwx n GLU 348 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 3hwx h ILE 349 N 0.00 0.70 -0.43 3.84 2.04 -1.90 0.14 117.51 121.90 3hwx h ILE 349 Ca -0.11 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 3hwx h ILE 349 Cb 0.98 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3hwx h ILE 349 CO 0.01 0.00 0.24 -0.65 0.00 0.00 0.00 178.15 177.74 3hwx h PRO 350 N -0.01 0.59 -0.12 2.37 0.11 -1.88 0.14 132.00 133.19 3hwx h PRO 350 Ca 0.14 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 66.07 3hwx h PRO 350 Cb 0.22 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.20 3hwx h PRO 350 CO -0.30 0.43 -0.46 -0.09 -0.21 0.00 0.00 178.00 177.37 3hwx h ARG 351 N 0.60 0.30 -0.09 1.05 2.43 -1.59 -1.45 114.38 115.63 3hwx h ARG 351 Ca 0.15 -0.16 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 3hwx h ARG 351 Cb 0.02 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 3hwx h ARG 351 CO -0.03 0.71 -0.24 -0.07 -1.51 0.00 0.00 179.97 178.83 3hwx h LEU 352 N 0.25 0.38 -0.49 3.80 3.38 0.10 -2.18 115.31 120.54 3hwx h LEU 352 Ca 0.02 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.46 3hwx h LEU 352 Cb 0.91 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 3hwx h LEU 352 CO 0.08 0.90 0.20 0.00 0.09 0.00 0.00 178.44 179.70 3hwx h ALA 353 N 0.49 0.61 -0.72 1.53 0.00 -0.76 0.43 119.26 120.84 3hwx h ALA 353 Ca -0.00 0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3hwx h ALA 353 Cb 0.85 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3hwx h ALA 353 CO 0.05 -0.18 0.41 1.49 0.00 0.00 0.00 179.25 181.02 3hwx h GLU 354 N 0.39 0.72 0.10 0.00 4.81 -1.25 -0.56 114.58 118.79 3hwx h GLU 354 Ca 0.23 -0.04 -0.27 0.00 -0.13 0.00 0.00 59.36 59.14 3hwx h GLU 354 Cb 0.21 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.45 3hwx h GLU 354 CO -0.21 0.48 -1.17 1.96 -0.73 0.00 0.00 179.01 179.33 3hwx h GLN 355 N 0.74 0.45 -0.13 1.92 4.20 -0.89 -3.13 115.11 118.27 3hwx h GLN 355 Ca 0.33 -0.61 0.04 0.00 0.06 0.00 0.00 58.65 58.47 3hwx h GLN 355 Cb 0.22 0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3hwx h GLN 355 CO -0.20 1.25 -0.13 0.00 -0.67 0.00 0.00 178.83 179.09 3hwx h ALA 356 N 0.50 -0.04 0.04 3.87 0.00 0.08 -1.29 119.26 122.42 3hwx h ALA 356 Ca -0.14 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.85 3hwx h ALA 356 Cb 1.85 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 19.86 3hwx h ALA 356 CO 0.21 -0.58 -0.33 1.98 0.00 0.00 0.00 179.25 180.53 3hwx h MET 357 N -0.15 -0.49 -0.69 0.00 1.85 -1.14 -1.83 114.93 112.47 3hwx h MET 357 Ca 0.09 0.03 0.15 0.00 -0.61 0.00 0.00 59.70 59.36 3hwx h MET 357 Cb 0.29 0.11 -0.11 0.00 0.43 0.00 0.00 31.60 32.32 3hwx h MET 357 CO -0.22 -0.33 0.13 1.96 -0.40 0.00 0.00 176.91 178.05 3hwx h GLN 358 N -0.51 0.22 -0.95 0.39 4.20 -1.47 0.60 115.11 117.60 3hwx h GLN 358 Ca 0.05 -0.01 0.17 0.00 0.06 0.00 0.00 58.65 58.92 3hwx h GLN 358 Cb 0.58 -0.05 -0.17 0.00 0.30 0.00 0.00 27.48 28.14 3hwx h GLN 358 CO -0.25 0.15 -0.28 0.00 -0.67 0.00 0.00 178.83 177.78 3hwx n ALA 359 N -2.69 0.11 -0.08 3.87 0.00 -0.50 -0.27 120.51 120.95 3hwx n ALA 359 Ca 0.12 1.01 -0.08 0.00 0.00 0.00 0.00 53.44 54.49 3hwx n ALA 359 Cb 0.42 -0.55 0.09 0.00 0.00 0.00 0.00 19.45 19.40 3hwx n ALA 359 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hwx h VAL 360 N 0.00 1.27 0.00 0.00 2.07 0.50 -2.73 116.25 117.36 3hwx h VAL 360 Ca 0.41 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.56 3hwx h VAL 360 Cb 0.65 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3hwx h VAL 360 CO -0.96 0.46 0.00 0.16 0.02 0.00 0.00 177.57 177.24 3hwx h ILE 361 N 0.65 0.00 0.00 4.57 3.07 0.42 -2.60 117.51 123.63 3hwx h ILE 361 Ca 0.09 -0.30 -0.12 0.00 1.55 0.00 0.00 64.86 66.08 3hwx h ILE 361 Cb 0.77 1.17 -0.02 0.00 -0.27 0.00 0.00 36.82 38.47 3hwx h ILE 361 CO 0.06 0.00 -0.56 0.00 -1.05 0.00 0.00 178.15 176.60 3hwx h ALA 362 N 2.08 0.98 -0.01 0.16 0.00 -1.00 -3.20 119.26 118.27 3hwx h ALA 362 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3hwx h ALA 362 Cb 0.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hwx h ALA 362 CO 0.00 0.70 -0.40 0.54 0.00 0.00 0.00 179.25 180.09 3hwx n ARG 363 N -3.74 1.21 0.04 0.00 5.12 -0.99 -4.70 116.66 113.60 3hwx n ARG 363 Ca -0.01 -0.95 0.03 0.00 -1.93 0.00 0.00 57.85 54.99 3hwx n ARG 363 Cb 0.59 -1.48 0.15 0.00 -1.16 0.00 0.00 32.46 30.56 3hwx n ARG 363 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hwx n ARG 364 N -0.07 0.03 -0.00 5.56 1.85 -1.16 -3.41 116.66 119.47 3hwx n ARG 364 Ca 0.10 0.52 -0.18 0.00 -1.00 0.00 0.00 57.85 57.29 3hwx n ARG 364 Cb 0.45 -1.61 -0.08 0.00 -1.05 0.00 0.00 32.46 30.17 3hwx n ARG 364 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 3hwx h ASP 365 N 0.00 0.94 -3.89 2.89 3.32 -1.85 -3.47 116.42 114.36 3hwx h ASP 365 Ca 0.00 -0.67 -0.54 0.00 0.02 0.00 0.00 57.03 55.84 3hwx h ASP 365 Cb 0.01 -0.28 0.11 0.00 0.22 0.00 0.00 39.33 39.39 3hwx h ASP 365 CO 0.00 1.46 0.76 0.00 -1.72 0.00 0.00 179.24 179.75 3hwx n ALA 366 N -2.62 2.33 -0.95 3.45 0.00 -1.22 -4.84 120.51 116.66 3hwx n ALA 366 Ca -0.09 0.34 -0.26 0.00 0.00 0.00 0.00 53.44 53.43 3hwx n ALA 366 Cb 0.79 -2.41 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 3hwx n ALA 366 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hwx n PHE 367 N 0.43 1.52 -4.18 0.00 7.35 -1.26 -4.62 117.46 116.69 3hwx n PHE 367 Ca 0.01 -2.24 -0.25 0.00 -0.76 0.00 0.00 57.45 54.21 3hwx n PHE 367 Cb 0.39 -1.91 -0.08 0.00 0.35 0.00 0.00 39.48 38.23 3hwx n PHE 367 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hwx s GLY 368 N 2.75 2.36 0.33 7.13 0.00 -1.26 -4.89 107.32 113.73 3hwx s GLY 368 Ca 0.53 -2.13 0.12 0.00 0.00 0.00 0.00 44.72 43.23 3hwx s GLY 368 CO -0.04 -1.93 1.74 1.05 0.00 0.00 0.00 173.10 173.92 3hwx h GLU 369 N 1.46 0.01 -0.17 2.90 4.11 -1.95 0.10 114.58 121.05 3hwx h GLU 369 Ca -0.43 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 58.97 3hwx h GLU 369 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3hwx h GLU 369 CO 0.71 0.48 0.00 0.00 0.07 0.00 0.00 179.01 180.27 3hwx h ALA 370 N 1.52 0.22 0.05 1.06 0.00 -1.91 -0.79 119.26 119.42 3hwx h ALA 370 Ca -0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hwx h ALA 370 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 3hwx h ALA 370 CO 0.06 -0.07 -0.03 1.96 0.00 0.00 0.00 179.25 181.17 3hwx h GLN 371 N 0.04 -0.07 -0.87 0.00 7.50 -1.78 -1.10 115.11 118.84 3hwx h GLN 371 Ca 0.05 0.00 0.23 0.00 0.50 0.00 0.00 58.65 59.43 3hwx h GLN 371 Cb 0.38 0.02 -0.15 0.00 0.05 0.00 0.00 27.48 27.78 3hwx h GLN 371 CO 0.01 0.25 0.16 1.25 -1.50 0.00 0.00 178.83 178.99 3hwx h LEU 372 N -0.39 -0.14 0.67 1.46 5.85 -0.96 0.33 115.31 122.12 3hwx h LEU 372 Ca -0.01 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3hwx h LEU 372 Cb 0.35 0.31 0.01 0.00 0.37 0.00 0.00 40.66 41.70 3hwx h LEU 372 CO 0.01 -0.19 -0.32 0.00 -0.34 0.00 0.00 178.44 177.60 3hwx h ALA 373 N 1.79 -0.90 -0.80 1.25 0.00 -0.88 -2.59 119.26 117.14 3hwx h ALA 373 Ca 0.53 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.36 3hwx h ALA 373 Cb 1.05 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 19.05 3hwx h ALA 373 CO -0.70 -0.98 -0.40 1.25 0.00 0.00 0.00 179.25 178.42 3hwx h HIS 374 N -0.94 -1.17 -0.26 0.00 -0.00 -0.49 -2.91 115.15 109.39 3hwx h HIS 374 Ca -0.09 0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3hwx h HIS 374 Cb 0.70 0.63 -0.01 0.00 -0.00 0.00 0.00 27.41 28.73 3hwx h HIS 374 CO -0.02 -0.40 0.02 0.54 -0.00 0.00 0.00 177.93 178.07 3hwx n ARG 375 N -5.43 2.55 0.24 5.26 1.74 0.11 -4.45 116.66 116.69 3hwx n ARG 375 Ca 0.06 -1.32 0.14 0.00 -0.77 0.00 0.00 57.85 55.96 3hwx n ARG 375 Cb 0.37 -1.80 0.46 0.00 -1.02 0.00 0.00 32.46 30.46 3hwx n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hwx h ILE 376 N 1.58 0.16 -0.14 0.55 6.09 -1.26 -2.81 117.51 121.67 3hwx h ILE 376 Ca 0.02 -0.87 -0.03 0.00 -1.37 0.00 0.00 64.86 62.61 3hwx h ILE 376 Cb 1.18 1.75 -0.01 0.00 0.47 0.00 0.00 36.82 40.21 3hwx h ILE 376 CO 0.23 0.07 -0.04 0.00 -3.07 0.00 0.00 178.15 175.34 3hwx h ASP 378 N 0.21 0.00 -0.22 0.00 5.19 -1.86 -2.56 116.42 117.17 3hwx h ASP 378 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3hwx h ASP 378 Cb 0.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.73 3hwx h ASP 378 CO 0.01 0.01 0.00 -1.22 -3.12 0.00 0.00 179.24 174.92 3hwx n TYR 379 N -4.06 0.42 -1.88 4.55 4.01 -0.90 -5.00 117.16 114.30 3hwx n TYR 379 Ca -0.03 -0.62 -0.42 0.00 -0.16 0.00 0.00 57.90 56.68 3hwx n TYR 379 Cb 0.09 -0.10 -0.02 0.00 -0.31 0.00 0.00 39.34 39.00 3hwx n TYR 379 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3hwx s LEU 380 N -1.52 4.37 0.32 7.72 1.43 -0.97 -4.94 118.68 125.10 3hwx s LEU 380 Ca 0.23 2.77 -0.29 0.00 -1.03 0.00 0.00 54.13 55.81 3hwx s LEU 380 Cb 0.15 -3.61 -0.10 0.00 0.03 0.00 0.00 46.19 42.65 3hwx s LEU 380 CO 0.10 -0.84 1.33 -2.16 0.23 0.00 0.00 176.35 175.00 3hwx s PRO 381 N 0.25 4.34 0.03 1.29 0.04 -1.26 -4.91 135.00 134.78 3hwx s PRO 381 Ca 0.66 2.24 -0.31 0.00 0.04 0.00 0.00 61.00 63.62 3hwx s PRO 381 Cb -0.45 -3.07 -0.10 0.00 0.04 0.00 0.00 34.50 30.92 3hwx s PRO 381 CO 0.40 -0.22 1.94 0.39 0.04 0.00 0.00 177.00 179.54 3hwx n GLU 382 N 0.96 2.73 -2.14 4.56 1.02 -1.26 -2.54 120.64 123.96 3hwx n GLU 382 Ca 0.01 1.00 -0.05 0.00 -0.02 0.00 0.00 57.16 58.09 3hwx n GLU 382 Cb 0.42 -2.93 -0.00 0.00 -0.02 0.00 0.00 31.44 28.91 3hwx n GLU 382 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3hwx n GLN 383 N 7.09 -0.51 0.00 3.49 1.13 -1.26 -4.85 117.38 122.46 3hwx n GLN 383 Ca 0.20 0.25 0.00 0.00 -1.94 0.00 0.00 57.00 55.51 3hwx n GLN 383 Cb 0.38 -3.99 0.00 0.00 0.11 0.00 0.00 30.24 26.74 3hwx n GLN 383 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hwx n GLY 384 N -1.00 5.62 3.03 1.08 0.00 -1.05 -4.58 105.19 108.30 3hwx n GLY 384 Ca -0.06 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.34 3hwx n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hwx s GLN 385 N 1.66 0.30 -0.23 1.61 -2.07 -1.00 -4.07 119.66 115.86 3hwx s GLN 385 Ca 0.00 -0.20 -0.09 0.00 -1.82 0.00 0.00 55.36 53.25 3hwx s GLN 385 Cb 0.00 0.12 -0.04 0.00 -1.09 0.00 0.00 33.01 32.00 3hwx s GLN 385 CO 0.00 -0.06 0.11 -1.17 -1.32 0.00 0.00 175.29 172.85 3hwx s LEU 386 N -0.78 3.79 -0.34 2.60 2.96 0.15 -2.08 118.68 124.97 3hwx s LEU 386 Ca -0.09 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.71 3hwx s LEU 386 Cb -0.05 -2.01 0.02 0.00 0.50 0.00 0.00 46.19 44.65 3hwx s LEU 386 CO 0.00 0.04 0.15 0.12 -1.32 0.00 0.00 176.35 175.35 3hwx s PHE 387 N 1.17 3.21 -0.18 5.38 5.36 0.12 0.94 117.98 133.98 3hwx s PHE 387 Ca 0.06 -0.99 -0.14 0.00 -0.96 0.00 0.00 56.93 54.90 3hwx s PHE 387 Cb -0.14 -2.35 -0.05 0.00 -0.34 0.00 0.00 43.02 40.14 3hwx s PHE 387 CO 0.04 -0.61 0.30 0.08 -1.46 0.00 0.00 175.22 173.57 3hwx s VAL 388 N 1.52 5.29 1.00 3.12 1.01 -0.80 -1.10 120.40 130.45 3hwx s VAL 388 Ca 0.02 0.53 -0.17 0.00 0.00 0.00 0.00 61.98 62.37 3hwx s VAL 388 Cb -0.18 -3.63 0.22 0.00 0.00 0.00 0.00 36.38 32.78 3hwx s VAL 388 CO 0.05 0.36 1.30 -0.83 0.00 0.00 0.00 175.10 175.98 3hwx s GLY 389 N 0.65 1.77 0.00 4.51 0.00 0.91 -4.39 107.32 110.77 3hwx s GLY 389 Ca 0.16 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 43.68 3hwx s GLY 389 CO 0.05 -0.40 0.00 0.70 0.00 0.00 0.00 173.10 173.44 3hwx n ASN 390 N -3.92 0.00 0.00 1.64 3.02 -1.26 -3.35 115.26 111.39 3hwx n ASN 390 Ca 0.15 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 3hwx n ASN 390 Cb 0.59 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.76 3hwx n ASN 390 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3hwx n SER 391 N -1.37 0.00 0.32 6.41 2.88 -1.26 -3.78 113.62 116.82 3hwx n SER 391 Ca 0.00 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.35 3hwx n SER 391 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 3hwx n SER 391 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 3hwx h LEU 392 N 0.00 -1.39 -0.55 2.46 3.38 -1.95 -3.30 115.31 113.96 3hwx h LEU 392 Ca 0.00 0.11 0.05 0.00 0.09 0.00 0.00 57.88 58.13 3hwx h LEU 392 Cb 0.00 0.45 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 3hwx h LEU 392 CO 0.00 -0.69 -0.33 0.55 0.09 0.00 0.00 178.44 178.06 3hwx n VAL 393 N -5.58 -0.38 0.01 1.22 3.14 -1.25 -0.18 118.33 115.32 3hwx n VAL 393 Ca -0.13 1.48 -0.13 0.00 -2.96 0.00 0.00 64.34 62.61 3hwx n VAL 393 Cb 0.48 -1.84 -0.06 0.00 -1.06 0.00 0.00 33.84 31.35 3hwx n VAL 393 CO 0.00 0.00 0.00 1.62 -6.46 0.00 0.00 176.83 171.99 3hwx h VAL 394 N 0.00 0.14 -0.76 1.55 3.04 -1.62 0.35 116.25 118.94 3hwx h VAL 394 Ca 0.09 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 65.91 3hwx h VAL 394 Cb 0.23 0.14 -0.09 0.00 -2.01 0.00 0.00 31.29 29.55 3hwx h VAL 394 CO -0.52 0.00 0.33 0.03 -1.01 0.00 0.00 177.57 176.40 3hwx h ARG 395 N -0.52 0.49 -0.15 4.17 3.08 -1.17 0.57 114.38 120.84 3hwx h ARG 395 Ca 0.07 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 3hwx h ARG 395 Cb 0.64 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3hwx h ARG 395 CO -0.38 0.32 -0.17 -0.07 -1.07 0.00 0.00 179.97 178.59 3hwx h LEU 396 N 0.50 0.41 -0.65 3.04 3.38 0.65 0.71 115.31 123.35 3hwx h LEU 396 Ca 0.41 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3hwx h LEU 396 Cb 0.58 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hwx h LEU 396 CO -0.37 0.82 0.41 0.40 0.09 0.00 0.00 178.44 179.80 3hwx h ILE 397 N 0.01 1.18 -0.75 1.22 2.04 -0.24 0.45 117.51 121.42 3hwx h ILE 397 Ca 0.02 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.51 3hwx h ILE 397 Cb 0.72 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.01 3hwx h ILE 397 CO 0.04 0.18 0.46 -0.78 0.00 0.00 0.00 178.15 178.05 3hwx h ASP 398 N 0.89 0.90 -0.09 1.72 3.58 -0.19 0.19 116.42 123.41 3hwx h ASP 398 Ca 0.24 -0.06 -0.14 0.00 0.42 0.00 0.00 57.03 57.49 3hwx h ASP 398 Cb -0.06 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 40.77 3hwx h ASP 398 CO -0.05 0.69 -0.50 0.00 -2.88 0.00 0.00 179.24 176.50 3hwx h ALA 399 N 1.25 0.18 0.00 -0.78 0.00 0.52 -3.40 119.26 117.03 3hwx h ALA 399 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3hwx h ALA 399 Cb -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hwx h ALA 399 CO -0.05 0.36 -1.61 1.28 0.00 0.00 0.00 179.25 179.23 3hwx n LEU 400 N -4.25 0.39 -4.74 0.00 4.77 0.14 -3.69 117.00 109.62 3hwx n LEU 400 Ca -0.08 -0.19 -0.23 0.00 -0.03 0.00 0.00 56.01 55.48 3hwx n LEU 400 Cb 0.60 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.63 3hwx n LEU 400 CO 0.46 0.10 -0.21 -0.55 -1.33 0.00 0.00 177.39 175.86 3hwx s SER 401 N -3.93 4.87 -0.41 -1.43 0.15 0.66 -4.40 113.70 109.22 3hwx s SER 401 Ca -0.02 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.05 3hwx s SER 401 Cb 0.15 -0.91 0.12 0.00 -1.71 0.00 0.00 66.02 63.67 3hwx s SER 401 CO 0.89 -0.19 0.17 -1.58 1.20 0.00 0.00 173.24 173.74 3hwx s GLN 402 N -3.82 1.42 0.23 5.44 0.74 -1.26 -4.52 119.66 117.88 3hwx s GLN 402 Ca 0.36 -1.97 -0.30 0.00 0.05 0.00 0.00 55.36 53.50 3hwx s GLN 402 Cb -0.05 -2.76 -0.09 0.00 1.10 0.00 0.00 33.01 31.21 3hwx s GLN 402 CO 0.23 -1.06 1.06 -0.51 -0.55 0.00 0.00 175.29 174.46 3hwx s LEU 403 N 0.55 4.55 0.09 3.68 1.43 -1.26 -4.92 118.68 122.80 3hwx s LEU 403 Ca 0.14 2.13 -0.31 0.00 -1.03 0.00 0.00 54.13 55.07 3hwx s LEU 403 Cb -0.22 -3.61 -0.07 0.00 0.03 0.00 0.00 46.19 42.32 3hwx s LEU 403 CO -0.07 -0.11 1.28 -2.84 0.23 0.00 0.00 176.35 174.84 3hwx s PRO 404 N -0.98 4.39 0.14 1.29 0.02 -1.26 -3.56 135.00 135.03 3hwx s PRO 404 Ca 0.45 1.91 -0.33 0.00 0.02 0.00 0.00 61.00 63.05 3hwx s PRO 404 Cb -0.30 -3.30 -0.17 0.00 0.02 0.00 0.00 34.50 30.76 3hwx s PRO 404 CO 0.37 -0.32 1.02 0.00 -0.33 0.00 0.00 177.00 177.74 3hwx n ALA 405 N 3.82 -1.81 -0.80 -1.55 0.00 -1.26 -1.43 120.51 117.48 3hwx n ALA 405 Ca 0.10 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.02 3hwx n ALA 405 Cb 0.45 -1.89 0.00 0.00 0.00 0.00 0.00 19.45 18.01 3hwx n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwx n GLY 406 N 1.89 1.31 3.67 0.00 0.00 -0.76 -4.87 105.19 106.44 3hwx n GLY 406 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 3hwx n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hwx s TYR 407 N -3.77 3.42 0.01 1.61 6.14 -0.51 -4.79 117.35 119.46 3hwx s TYR 407 Ca 0.00 1.05 -0.30 0.00 0.64 0.00 0.00 57.07 58.46 3hwx s TYR 407 Cb 0.00 -2.84 -0.06 0.00 0.42 0.00 0.00 41.96 39.48 3hwx s TYR 407 CO 0.00 -0.13 1.52 -2.14 0.64 0.00 0.00 175.55 175.44 3hwx s PRO 408 N 1.73 4.24 -0.11 4.97 0.02 -1.26 -4.79 135.00 139.80 3hwx s PRO 408 Ca 0.32 2.12 0.00 0.00 0.02 0.00 0.00 61.00 63.47 3hwx s PRO 408 Cb -0.16 -3.64 -0.02 0.00 0.02 0.00 0.00 34.50 30.70 3hwx s PRO 408 CO 0.12 -0.67 -0.12 0.08 -0.33 0.00 0.00 177.00 176.08 3hwx s VAL 409 N 2.73 3.22 0.38 3.83 1.01 -1.26 0.30 120.40 130.60 3hwx s VAL 409 Ca 0.68 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.11 3hwx s VAL 409 Cb -0.34 -2.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.63 3hwx s VAL 409 CO 0.29 0.54 -0.01 -0.31 0.00 0.00 0.00 175.10 175.61 3hwx s TYR 410 N -0.03 2.40 -0.08 5.22 2.02 0.27 -4.93 117.35 122.22 3hwx s TYR 410 Ca -0.02 -0.66 -0.32 0.00 -0.37 0.00 0.00 57.07 55.69 3hwx s TYR 410 Cb -0.14 -1.59 0.13 0.00 -0.40 0.00 0.00 41.96 39.96 3hwx s TYR 410 CO 0.04 0.43 1.26 -1.54 -1.57 0.00 0.00 175.55 174.17 3hwx s SER 411 N -3.65 -0.08 -0.63 2.29 1.04 -1.26 -1.90 113.70 109.51 3hwx s SER 411 Ca 0.34 -0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.73 3hwx s SER 411 Cb 0.08 0.15 0.17 0.00 0.10 0.00 0.00 66.02 66.52 3hwx s SER 411 CO 0.17 -0.27 0.45 0.20 0.98 0.00 0.00 173.24 174.77 3hwx s ASN 412 N -2.69 4.09 -0.13 7.02 0.01 -1.26 -4.94 114.94 117.03 3hwx s ASN 412 Ca 0.12 -3.65 0.16 0.00 -0.71 0.00 0.00 52.86 48.79 3hwx s ASN 412 Cb 0.03 -1.37 0.42 0.00 0.41 0.00 0.00 41.25 40.73 3hwx s ASN 412 CO -0.04 -0.11 1.20 0.54 -1.51 0.00 0.00 177.10 177.18 3hwx n ARG 413 N 2.21 1.02 -0.02 -0.60 5.12 -1.26 -3.15 116.66 119.98 3hwx n ARG 413 Ca 0.21 -2.83 -0.01 0.00 -1.93 0.00 0.00 57.85 53.29 3hwx n ARG 413 Cb 0.38 -1.05 -0.00 0.00 -1.16 0.00 0.00 32.46 30.63 3hwx n ARG 413 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3hwx h GLY 414 N 0.99 0.00 0.00 -0.13 0.00 -1.92 -3.42 103.07 98.59 3hwx h GLY 414 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 3hwx h GLY 414 CO 0.03 0.00 -1.58 0.00 0.00 0.00 0.00 176.54 174.99 3hwx n ALA 415 N -2.48 3.62 -2.51 3.60 0.00 -1.26 -5.00 120.51 116.48 3hwx n ALA 415 Ca -0.01 -0.55 -0.11 0.00 0.00 0.00 0.00 53.44 52.76 3hwx n ALA 415 Cb 0.04 -0.76 0.01 0.00 0.00 0.00 0.00 19.45 18.75 3hwx n ALA 415 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hwx n SER 416 N -1.94 -3.81 -4.69 0.00 7.64 -1.19 -4.98 113.62 104.65 3hwx n SER 416 Ca -0.01 -0.11 -0.42 0.00 1.01 0.00 0.00 58.87 59.35 3hwx n SER 416 Cb 0.47 -2.81 -0.03 0.00 -1.01 0.00 0.00 64.21 60.83 3hwx n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hwx s GLY 417 N -2.74 1.50 -0.01 0.23 0.00 -1.26 -4.89 107.32 100.16 3hwx s GLY 417 Ca 0.11 1.24 0.01 0.00 0.00 0.00 0.00 44.72 46.08 3hwx s GLY 417 CO 0.13 3.00 0.73 0.29 0.00 0.00 0.00 173.10 177.25 3hwx n ILE 418 N 4.85 0.11 1.01 0.90 -5.35 -1.26 -4.28 119.36 115.35 3hwx n ILE 418 Ca 0.17 -0.06 0.11 0.00 -0.27 0.00 0.00 62.75 62.69 3hwx n ILE 418 Cb 0.40 -0.30 -0.03 0.00 -1.74 0.00 0.00 39.64 37.97 3hwx n ILE 418 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3hwx n ASP 419 N -0.12 1.24 -0.81 7.28 5.75 -1.26 -4.51 116.55 124.13 3hwx n ASP 419 Ca 0.01 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.73 3hwx n ASP 419 Cb 0.20 0.74 -0.00 0.00 -1.03 0.00 0.00 41.12 41.03 3hwx n ASP 419 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwx n GLY 420 N 1.47 0.72 0.28 6.12 0.00 -1.26 -4.57 105.19 107.95 3hwx n GLY 420 Ca 0.06 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3hwx n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hwx h LEU 421 N 0.25 -0.54 -0.92 0.99 3.38 -1.82 -0.10 115.31 116.55 3hwx h LEU 421 Ca -0.12 -0.08 0.16 0.00 0.09 0.00 0.00 57.88 57.93 3hwx h LEU 421 Cb 1.45 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 42.24 3hwx h LEU 421 CO -0.01 -0.15 0.52 -0.07 0.09 0.00 0.00 178.44 178.82 3hwx h LEU 422 N -1.01 0.65 -0.10 1.67 3.38 -1.88 0.12 115.31 118.15 3hwx h LEU 422 Ca -0.07 0.09 -0.21 0.00 0.09 0.00 0.00 57.88 57.79 3hwx h LEU 422 Cb 0.59 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3hwx h LEU 422 CO 0.11 0.26 -0.98 0.77 0.09 0.00 0.00 178.44 178.68 3hwx h SER 423 N 0.70 0.11 -0.11 -0.43 4.64 -1.86 -1.44 113.55 115.17 3hwx h SER 423 Ca 0.51 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.65 3hwx h SER 423 Cb 0.75 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3hwx h SER 423 CO -0.37 1.02 -0.24 0.74 -0.87 0.00 0.00 176.83 177.12 3hwx h THR 424 N 0.03 1.39 -0.92 2.95 2.02 -0.20 -2.80 112.91 115.38 3hwx h THR 424 Ca -0.04 -1.54 0.09 0.00 0.77 0.00 0.00 66.41 65.70 3hwx h THR 424 Cb 1.70 2.12 -0.07 0.00 -1.74 0.00 0.00 68.15 70.16 3hwx h THR 424 CO 0.14 0.44 0.59 0.00 0.37 0.00 0.00 175.52 177.07 3hwx h ALA 425 N 0.51 1.58 0.12 6.16 0.00 -0.76 0.24 119.26 127.11 3hwx h ALA 425 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3hwx h ALA 425 Cb 0.83 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3hwx h ALA 425 CO 0.05 0.24 -0.38 0.00 0.00 0.00 0.00 179.25 179.16 3hwx h ALA 426 N 1.54 -0.89 -0.84 0.00 0.00 -1.27 -2.34 119.26 115.45 3hwx h ALA 426 Ca 0.42 -0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.40 3hwx h ALA 426 Cb 0.37 0.75 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3hwx h ALA 426 CO -0.18 -0.98 0.41 0.78 0.00 0.00 0.00 179.25 179.27 3hwx h GLY 427 N -0.56 1.36 0.74 0.00 0.00 -0.85 0.23 103.07 103.99 3hwx h GLY 427 Ca -0.01 -0.22 0.09 0.00 0.00 0.00 0.00 47.33 47.19 3hwx h GLY 427 CO -0.19 -0.08 0.57 -2.08 0.00 0.00 0.00 176.54 174.76 3hwx h VAL 428 N 0.56 0.97 0.52 4.60 2.07 -0.53 -1.08 116.25 123.36 3hwx h VAL 428 Ca 0.47 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.66 3hwx h VAL 428 Cb 0.70 0.01 0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3hwx h VAL 428 CO -0.39 0.16 -0.25 -0.61 0.02 0.00 0.00 177.57 176.50 3hwx h GLN 429 N 0.88 -0.68 -0.71 1.57 -0.00 -0.08 -3.15 115.11 112.95 3hwx h GLN 429 Ca 0.41 0.05 0.14 0.00 -0.00 0.00 0.00 58.65 59.24 3hwx h GLN 429 Cb 0.40 0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.98 3hwx h GLN 429 CO -0.17 -0.45 0.47 0.00 0.00 0.00 0.00 178.83 178.68 3hwx h ARG 430 N -0.98 0.37 0.42 1.69 3.08 -0.87 -0.45 114.38 117.65 3hwx h ARG 430 Ca -0.07 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3hwx h ARG 430 Cb 0.54 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.51 3hwx h ARG 430 CO 0.12 0.25 -0.20 0.00 -1.07 0.00 0.00 179.97 179.06 3hwx h ALA 431 N 1.66 -0.57 0.17 0.04 0.00 -1.31 -3.37 119.26 115.88 3hwx h ALA 431 Ca 0.34 -0.17 -0.32 0.00 0.00 0.00 0.00 54.91 54.76 3hwx h ALA 431 Cb 0.80 0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.82 3hwx h ALA 431 CO -0.10 -0.72 -1.55 0.66 0.00 0.00 0.00 179.25 177.53 3hwx h SER 432 N -0.76 0.57 0.00 0.00 4.64 -1.37 -3.48 113.55 113.16 3hwx h SER 432 Ca -0.06 -0.74 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 3hwx h SER 432 Cb 0.53 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3hwx h SER 432 CO 0.10 1.60 0.00 0.61 -0.87 0.00 0.00 176.83 178.27 3hwx n GLY 433 N 1.72 0.61 3.89 -0.77 0.00 -0.23 -5.05 105.19 105.36 3hwx n GLY 433 Ca -0.18 -0.41 -0.24 0.00 0.00 0.00 0.00 46.02 45.19 3hwx n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hwx s LYS 434 N -0.89 3.20 0.39 1.61 1.02 -1.26 -4.72 119.74 119.09 3hwx s LYS 434 Ca 0.00 -0.79 -0.25 0.00 0.02 0.00 0.00 55.97 54.95 3hwx s LYS 434 Cb 0.00 -2.79 -0.11 0.00 -0.52 0.00 0.00 37.83 34.41 3hwx s LYS 434 CO 0.00 0.47 1.04 -0.35 -0.92 0.00 0.00 175.35 175.59 3hwx n PRO 435 N -0.79 1.43 -4.47 -1.68 -0.04 -1.26 -4.69 135.00 123.50 3hwx n PRO 435 Ca -0.08 0.51 -0.22 0.00 -0.04 0.00 0.00 63.50 63.67 3hwx n PRO 435 Cb 0.56 -2.04 -0.16 0.00 -0.04 0.00 0.00 33.50 31.82 3hwx n PRO 435 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3hwx s THR 436 N -1.23 0.90 -0.32 0.52 2.01 -0.18 -2.38 115.64 114.97 3hwx s THR 436 Ca 0.62 -0.42 -0.12 0.00 0.31 0.00 0.00 61.69 62.08 3hwx s THR 436 Cb -0.58 -0.80 -0.02 0.00 0.01 0.00 0.00 72.50 71.11 3hwx s THR 436 CO 0.58 0.28 0.21 -0.22 -0.69 0.00 0.00 174.62 174.78 3hwx s LEU 437 N 0.22 4.34 -0.21 4.42 2.96 -0.88 -1.03 118.68 128.50 3hwx s LEU 437 Ca -0.04 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.47 3hwx s LEU 437 Cb -0.10 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.50 3hwx s LEU 437 CO 0.01 -0.20 -0.10 0.00 -1.32 0.00 0.00 176.35 174.74 3hwx s ALA 438 N 1.70 2.63 0.01 5.97 0.00 0.92 0.15 121.76 133.14 3hwx s ALA 438 Ca 0.06 -1.24 0.07 0.00 0.00 0.00 0.00 51.96 50.85 3hwx s ALA 438 Cb -0.17 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.40 3hwx s ALA 438 CO 0.10 -0.47 -0.21 0.42 0.00 0.00 0.00 175.76 175.60 3hwx s ILE 439 N 1.39 2.54 -0.15 0.00 1.01 -0.26 -0.21 121.20 125.51 3hwx s ILE 439 Ca 0.05 -1.13 -0.30 0.00 0.00 0.00 0.00 60.65 59.27 3hwx s ILE 439 Cb -0.14 -2.00 0.11 0.00 0.01 0.00 0.00 42.46 40.44 3hwx s ILE 439 CO -0.07 0.44 0.93 -0.69 0.00 0.00 0.00 174.94 175.55 3hwx s VAL 440 N -0.79 0.00 0.65 2.92 1.01 -0.33 -0.06 120.40 123.79 3hwx s VAL 440 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3hwx s VAL 440 Cb -0.10 -1.00 0.07 0.00 0.00 0.00 0.00 36.38 35.34 3hwx s VAL 440 CO 0.02 0.00 0.91 -0.83 0.00 0.00 0.00 175.10 175.21 3hwx s GLY 441 N -0.92 1.77 0.11 4.51 0.00 -1.26 -2.07 107.32 109.45 3hwx s GLY 441 Ca -0.03 -1.28 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 3hwx s GLY 441 CO 0.02 -0.88 1.67 1.29 0.00 0.00 0.00 173.10 175.20 3hwx h ASP 442 N -0.32 -0.51 0.32 1.64 2.03 -1.74 0.47 116.42 118.32 3hwx h ASP 442 Ca -0.42 0.06 -0.08 0.00 -0.73 0.00 0.00 57.03 55.87 3hwx h ASP 442 Cb 1.29 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.98 3hwx h ASP 442 CO 0.52 -0.25 -0.35 -0.07 -1.03 0.00 0.00 179.24 178.06 3hwx h LEU 443 N -0.33 0.04 -0.38 0.15 3.38 -1.91 0.24 115.31 116.50 3hwx h LEU 443 Ca 0.04 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3hwx h LEU 443 Cb 0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3hwx h LEU 443 CO -0.12 0.39 0.18 0.28 0.09 0.00 0.00 178.44 179.25 3hwx h SER 444 N 0.03 0.51 -0.78 -0.43 0.02 -1.74 0.11 113.55 111.28 3hwx h SER 444 Ca 0.00 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3hwx h SER 444 Cb 0.64 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.99 3hwx h SER 444 CO 0.05 0.51 0.48 0.00 -1.14 0.00 0.00 176.83 176.73 3hwx h ALA 445 N 1.02 1.04 -0.16 3.77 0.00 0.14 -3.15 119.26 121.92 3hwx h ALA 445 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hwx h ALA 445 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hwx h ALA 445 CO -0.01 0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 179.35 3hwx h LEU 446 N 0.92 0.34 -0.79 0.00 3.38 -0.42 -1.16 115.31 117.58 3hwx h LEU 446 Ca 0.32 -0.41 0.19 0.00 0.09 0.00 0.00 57.88 58.08 3hwx h LEU 446 Cb 0.08 -0.10 -0.13 0.00 0.09 0.00 0.00 40.66 40.60 3hwx h LEU 446 CO -0.14 0.67 0.12 0.22 0.09 0.00 0.00 178.44 179.40 3hwx h TYR 447 N 0.01 0.15 -0.20 1.13 5.03 -0.81 -1.92 116.97 120.36 3hwx h TYR 447 Ca 0.04 0.05 -0.09 0.00 2.58 0.00 0.00 58.73 61.31 3hwx h TYR 447 Cb 0.54 0.06 -0.05 0.00 1.55 0.00 0.00 36.73 38.83 3hwx h TYR 447 CO 0.06 -0.19 -0.18 -3.47 -1.32 0.00 0.00 178.16 173.06 3hwx n ASP 448 N -5.26 2.39 -0.22 -2.11 2.03 -1.19 -4.82 116.55 107.37 3hwx n ASP 448 Ca 0.16 -3.66 0.02 0.00 0.52 0.00 0.00 54.79 51.84 3hwx n ASP 448 Cb 0.53 -0.57 0.13 0.00 -0.72 0.00 0.00 41.12 40.49 3hwx n ASP 448 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3hwx h LEU 449 N 0.98 -0.15 -2.36 -2.67 5.85 -0.37 0.08 115.31 116.67 3hwx h LEU 449 Ca 0.11 0.15 0.03 0.00 0.84 0.00 0.00 57.88 59.01 3hwx h LEU 449 Cb 1.38 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.64 3hwx h LEU 449 CO 0.22 -0.08 0.18 -0.55 -0.34 0.00 0.00 178.44 177.87 3hwx h ASN 450 N 0.18 0.00 0.04 1.25 -1.07 -1.86 -1.96 115.58 112.16 3hwx h ASN 450 Ca 0.35 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.72 3hwx h ASN 450 Cb 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 3hwx h ASN 450 CO -0.51 0.00 0.00 0.00 0.07 0.00 0.00 177.43 176.99 3hwx n ALA 451 N -2.18 1.25 -0.09 4.14 0.00 0.02 -0.36 120.51 123.29 3hwx n ALA 451 Ca -0.00 -0.01 0.02 0.00 0.00 0.00 0.00 53.44 53.45 3hwx n ALA 451 Cb 0.27 -1.03 0.34 0.00 0.00 0.00 0.00 19.45 19.04 3hwx n ALA 451 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hwx h LEU 452 N 0.00 0.63 -0.74 0.00 3.38 -1.53 -1.50 115.31 115.55 3hwx h LEU 452 Ca 0.00 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.06 3hwx h LEU 452 Cb 0.02 -0.16 -0.13 0.00 0.09 0.00 0.00 40.66 40.48 3hwx h LEU 452 CO 0.00 0.48 -0.38 0.00 0.09 0.00 0.00 178.44 178.63 3hwx h ALA 453 N 1.63 -0.04 -1.00 1.53 0.00 -0.96 -1.00 119.26 119.42 3hwx h ALA 453 Ca 0.19 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.32 3hwx h ALA 453 Cb -0.04 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 18.60 3hwx h ALA 453 CO -0.04 -0.69 0.66 -0.07 0.00 0.00 0.00 179.25 179.11 3hwx h LEU 454 N -0.11 1.12 0.00 0.00 3.38 -1.46 -1.80 115.31 116.43 3hwx h LEU 454 Ca 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3hwx h LEU 454 Cb 0.56 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hwx h LEU 454 CO -0.79 0.78 0.00 0.18 0.09 0.00 0.00 178.44 178.70 3hwx n LEU 455 N -4.42 0.00 0.13 1.67 4.77 -0.40 -1.26 117.00 117.49 3hwx n LEU 455 Ca 0.13 0.12 0.13 0.00 -0.03 0.00 0.00 56.01 56.36 3hwx n LEU 455 Cb 0.06 -0.12 0.47 0.00 -2.33 0.00 0.00 43.42 41.50 3hwx n LEU 455 CO 0.35 -0.08 0.87 0.03 -1.33 0.00 0.00 177.39 177.24 3hwx h ARG 456 N 0.00 0.00 -3.14 3.23 3.08 -1.13 -3.37 114.38 113.06 3hwx h ARG 456 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3hwx h ARG 456 Cb 0.04 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.68 3hwx h ARG 456 CO 0.00 0.00 -0.65 -0.65 -1.07 0.00 0.00 179.97 177.60 3hwx s GLN 457 N -3.27 1.98 0.01 0.04 -0.21 -0.39 -4.91 119.66 112.91 3hwx s GLN 457 Ca 0.06 -2.77 0.08 0.00 0.02 0.00 0.00 55.36 52.75 3hwx s GLN 457 Cb 0.10 -3.07 -0.02 0.00 1.00 0.00 0.00 33.01 31.02 3hwx s GLN 457 CO 0.47 -1.20 -0.24 0.14 -2.12 0.00 0.00 175.29 172.34 3hwx s VAL 458 N -0.61 1.88 -0.45 1.09 -7.23 -1.26 -4.91 120.40 108.91 3hwx s VAL 458 Ca 0.21 -1.13 0.26 0.00 -1.81 0.00 0.00 61.98 59.51 3hwx s VAL 458 Cb -0.16 -1.59 0.30 0.00 0.56 0.00 0.00 36.38 35.49 3hwx s VAL 458 CO -0.08 0.42 1.77 0.77 -0.31 0.00 0.00 175.10 177.68 3hwx h SER 459 N 5.24 0.00 -5.04 4.85 4.64 -1.89 -3.42 113.55 117.93 3hwx h SER 459 Ca -0.43 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.87 3hwx h SER 459 Cb 1.14 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.11 3hwx h SER 459 CO 0.46 0.00 0.09 0.00 -0.87 0.00 0.00 176.83 176.51 3hwx s ALA 460 N -3.30 -1.25 0.35 5.18 0.00 -1.26 -4.86 121.76 116.62 3hwx s ALA 460 Ca 0.06 0.16 -0.28 0.00 0.00 0.00 0.00 51.96 51.90 3hwx s ALA 460 Cb 0.10 0.82 -0.12 0.00 0.00 0.00 0.00 23.12 23.92 3hwx s ALA 460 CO 0.51 -0.75 1.30 -0.35 0.00 0.00 0.00 175.76 176.48 3hwx n PRO 461 N -0.33 2.15 -4.06 0.00 -0.04 -1.24 -4.38 135.00 127.11 3hwx n PRO 461 Ca -0.15 0.76 -0.26 0.00 -0.04 0.00 0.00 63.50 63.81 3hwx n PRO 461 Cb 0.64 -2.36 -0.17 0.00 -0.04 0.00 0.00 33.50 31.57 3hwx n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hwx s LEU 462 N -1.19 1.26 -0.29 1.53 0.20 -1.15 -1.01 118.68 118.04 3hwx s LEU 462 Ca 0.56 -0.28 -0.16 0.00 0.69 0.00 0.00 54.13 54.94 3hwx s LEU 462 Cb -0.55 -0.80 -0.03 0.00 -0.43 0.00 0.00 46.19 44.38 3hwx s LEU 462 CO 0.62 -0.09 0.40 -0.69 -0.29 0.00 0.00 176.35 176.30 3hwx s VAL 463 N 1.45 5.14 -0.46 1.68 1.01 -0.20 -1.47 120.40 127.56 3hwx s VAL 463 Ca -0.00 0.47 -0.12 0.00 0.00 0.00 0.00 61.98 62.32 3hwx s VAL 463 Cb -0.13 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.56 3hwx s VAL 463 CO -0.05 0.05 0.34 -0.22 0.00 0.00 0.00 175.10 175.23 3hwx s LEU 464 N 2.12 5.48 -0.38 3.92 2.96 -0.82 -0.06 118.68 131.92 3hwx s LEU 464 Ca 0.15 -1.48 -0.21 0.00 -0.22 0.00 0.00 54.13 52.37 3hwx s LEU 464 Cb -0.16 -2.09 0.01 0.00 0.50 0.00 0.00 46.19 44.45 3hwx s LEU 464 CO 0.11 -0.62 0.66 -0.63 -1.32 0.00 0.00 176.35 174.55 3hwx s ILE 465 N 1.53 4.85 -0.66 6.68 1.01 0.71 -1.61 121.20 133.71 3hwx s ILE 465 Ca 0.04 0.53 -0.17 0.00 0.00 0.00 0.00 60.65 61.05 3hwx s ILE 465 Cb -0.24 -4.13 0.14 0.00 0.01 0.00 0.00 42.46 38.24 3hwx s ILE 465 CO 0.04 -0.40 0.68 -0.69 0.00 0.00 0.00 174.94 174.58 3hwx s VAL 466 N 2.81 5.13 -0.23 2.92 1.01 -0.32 -1.19 120.40 130.53 3hwx s VAL 466 Ca 0.25 -1.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.38 3hwx s VAL 466 Cb -0.14 -4.46 -0.03 0.00 0.00 0.00 0.00 36.38 31.75 3hwx s VAL 466 CO 0.16 -1.05 1.72 -0.69 0.00 0.00 0.00 175.10 175.25 3hwx s VAL 467 N 1.72 3.55 -0.45 2.92 1.01 -0.88 -1.33 120.40 126.94 3hwx s VAL 467 Ca 0.12 0.61 -0.03 0.00 0.00 0.00 0.00 61.98 62.68 3hwx s VAL 467 Cb -0.21 -3.60 0.12 0.00 0.00 0.00 0.00 36.38 32.69 3hwx s VAL 467 CO 0.00 -0.28 0.25 0.21 0.00 0.00 0.00 175.10 175.29 3hwx s ASN 468 N 4.95 5.25 -0.02 3.32 3.84 0.94 -2.20 114.94 131.02 3hwx s ASN 468 Ca 0.77 -2.20 0.19 0.00 0.21 0.00 0.00 52.86 51.83 3hwx s ASN 468 Cb -0.26 -1.83 0.58 0.00 -0.55 0.00 0.00 41.25 39.19 3hwx s ASN 468 CO 0.31 -0.51 1.49 -0.46 -2.79 0.00 0.00 177.10 175.15 3hwx n ASN 469 N 4.37 3.86 -3.04 -4.21 0.23 -1.26 -1.22 115.26 113.99 3hwx n ASN 469 Ca -0.00 -2.09 -0.16 0.00 -0.53 0.00 0.00 54.58 51.80 3hwx n ASN 469 Cb 0.41 -0.45 0.02 0.00 -2.08 0.00 0.00 39.78 37.67 3hwx n ASN 469 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3hwx n ASN 470 N 1.29 -7.23 0.00 0.53 5.15 -1.26 -4.03 115.26 109.71 3hwx n ASN 470 Ca 0.22 0.41 0.00 0.00 -0.60 0.00 0.00 54.58 54.61 3hwx n ASN 470 Cb 0.63 -4.21 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 3hwx n ASN 470 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3hwx n GLY 471 N -0.13 1.56 3.36 8.20 0.00 -1.26 -4.46 105.19 112.45 3hwx n GLY 471 Ca 0.05 -2.20 -0.46 0.00 0.00 0.00 0.00 46.02 43.41 3hwx n GLY 471 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hwx s GLY 472 N 0.00 2.64 0.00 -0.02 0.00 -0.40 -4.67 107.32 104.87 3hwx s GLY 472 Ca 0.00 -3.33 0.25 0.00 0.00 0.00 0.00 44.72 41.63 3hwx s GLY 472 CO 0.00 1.45 1.84 -1.06 0.00 0.00 0.00 173.10 175.32 3hwx n GLN 473 N 4.26 0.55 0.16 2.90 1.13 -1.26 -1.43 117.38 123.68 3hwx n GLN 473 Ca 0.19 0.03 0.11 0.00 -1.94 0.00 0.00 57.00 55.39 3hwx n GLN 473 Cb 0.46 -1.50 0.56 0.00 0.11 0.00 0.00 30.24 29.87 3hwx n GLN 473 CO 0.00 0.00 0.00 1.51 -1.44 0.00 0.00 177.06 177.13 3hwx n ILE 474 N -1.16 0.97 1.31 5.09 3.06 -1.26 -1.57 119.36 125.81 3hwx n ILE 474 Ca 0.15 0.59 0.13 0.00 -2.50 0.00 0.00 62.75 61.12 3hwx n ILE 474 Cb 0.14 -1.57 0.40 0.00 0.54 0.00 0.00 39.64 39.16 3hwx n ILE 474 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3hwx n PHE 475 N -2.26 0.00 0.07 9.51 3.72 -0.52 -2.04 117.46 125.95 3hwx n PHE 475 Ca -0.00 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.41 3hwx n PHE 475 Cb 0.09 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.52 3hwx n PHE 475 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hwx h SER 476 N 1.71 0.00 0.03 4.37 0.02 -1.50 -3.39 113.55 114.79 3hwx h SER 476 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hwx h SER 476 Cb 0.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.07 3hwx h SER 476 CO 0.00 0.51 -0.01 0.25 -1.14 0.00 0.00 176.83 176.44 3hwx h LEU 477 N 0.00 -0.03 -9.90 5.07 5.85 -1.51 -3.44 115.31 111.35 3hwx h LEU 477 Ca -0.10 -0.69 -0.53 0.00 0.84 0.00 0.00 57.88 57.40 3hwx h LEU 477 Cb 1.48 0.01 0.08 0.00 0.37 0.00 0.00 40.66 42.60 3hwx h LEU 477 CO 0.05 0.73 0.72 -0.76 -0.34 0.00 0.00 178.44 178.85 3hwx s LEU 478 N -8.60 4.37 -0.65 2.25 1.43 -0.86 -4.90 118.68 111.72 3hwx s LEU 478 Ca -0.16 2.86 -0.07 0.00 -1.03 0.00 0.00 54.13 55.73 3hwx s LEU 478 Cb -0.01 -3.66 -0.19 0.00 0.03 0.00 0.00 46.19 42.37 3hwx s LEU 478 CO 0.59 -0.71 3.23 -0.81 0.23 0.00 0.00 176.35 178.88 3hwx n PRO 479 N 0.82 2.58 -1.75 1.29 -0.04 -1.26 -4.81 135.00 131.83 3hwx n PRO 479 Ca 0.01 -1.44 -0.32 0.00 -0.04 0.00 0.00 63.50 61.71 3hwx n PRO 479 Cb 0.40 -2.30 0.04 0.00 -0.04 0.00 0.00 33.50 31.60 3hwx n PRO 479 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hwx s THR 480 N 1.60 3.53 -0.07 0.52 -4.23 -1.26 -4.97 115.64 110.75 3hwx s THR 480 Ca 0.65 0.65 -0.30 0.00 -1.18 0.00 0.00 61.69 61.52 3hwx s THR 480 Cb 0.25 -3.20 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 3hwx s THR 480 CO -0.02 -0.49 1.16 -2.16 -0.54 0.00 0.00 174.62 172.56 3hwx s PRO 481 N -4.32 4.36 0.26 3.99 0.04 -1.26 -4.94 135.00 133.13 3hwx s PRO 481 Ca 0.64 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 63.25 3hwx s PRO 481 Cb -0.18 -3.56 0.34 0.00 0.04 0.00 0.00 34.50 31.14 3hwx s PRO 481 CO 0.44 -0.42 1.90 1.96 0.04 0.00 0.00 177.00 180.91 3hwx h GLN 482 N 7.39 1.18 -0.88 4.56 4.20 -2.00 -2.59 115.11 126.98 3hwx h GLN 482 Ca -0.33 -0.07 0.23 0.00 0.06 0.00 0.00 58.65 58.53 3hwx h GLN 482 Cb 1.16 -0.27 -0.13 0.00 0.30 0.00 0.00 27.48 28.53 3hwx h GLN 482 CO 0.88 0.78 0.28 1.03 -0.67 0.00 0.00 178.83 181.13 3hwx h SER 483 N 1.22 0.10 0.00 1.46 0.87 -2.05 -3.08 113.55 112.07 3hwx h SER 483 Ca 0.40 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 61.14 3hwx h SER 483 Cb 0.04 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 3hwx h SER 483 CO -0.14 -0.11 -1.24 -0.62 -0.53 0.00 0.00 176.83 174.19 3hwx n GLU 484 N -5.17 1.19 0.05 2.24 4.71 -1.00 -4.78 120.64 117.88 3hwx n GLU 484 Ca 0.21 -0.08 -0.11 0.00 -0.01 0.00 0.00 57.16 57.17 3hwx n GLU 484 Cb 0.67 -1.30 -0.05 0.00 -1.01 0.00 0.00 31.44 29.76 3hwx n GLU 484 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 3hwx h ARG 485 N 0.00 -0.39 -0.06 3.49 0.11 -1.41 -2.26 114.38 113.86 3hwx h ARG 485 Ca 0.00 0.03 0.02 0.00 0.10 0.00 0.00 59.98 60.12 3hwx h ARG 485 Cb 0.55 0.09 -0.03 0.00 1.11 0.00 0.00 29.97 31.68 3hwx h ARG 485 CO 0.00 -0.26 -0.30 1.49 0.10 0.00 0.00 179.97 181.00 3hwx h GLU 486 N -0.41 -0.32 -0.45 0.08 4.81 -1.87 0.82 114.58 117.25 3hwx h GLU 486 Ca 0.07 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3hwx h GLU 486 Cb 0.50 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3hwx h GLU 486 CO -0.25 -0.21 0.29 -0.09 -0.73 0.00 0.00 179.01 178.01 3hwx h ARG 487 N -0.33 0.57 0.00 1.92 2.43 -1.88 0.21 114.38 117.29 3hwx h ARG 487 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3hwx h ARG 487 Cb 0.38 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 3hwx h ARG 487 CO -0.23 0.37 -1.48 1.19 -1.51 0.00 0.00 179.97 178.32 3hwx n PHE 488 N -4.79 0.00 -0.02 2.20 3.72 -0.86 -4.30 117.46 113.41 3hwx n PHE 488 Ca 0.02 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 57.39 3hwx n PHE 488 Cb 0.04 -0.27 -0.01 0.00 -0.94 0.00 0.00 39.48 38.30 3hwx n PHE 488 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3hwx n TYR 489 N -1.88 0.00 -0.08 1.38 4.02 0.26 -4.83 117.16 116.03 3hwx n TYR 489 Ca -0.02 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.75 3hwx n TYR 489 Cb 0.34 -0.17 -0.05 0.00 -0.02 0.00 0.00 39.34 39.44 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 176.86 175.78 3hwx h LEU 490 N -0.34 0.50 -3.38 7.72 3.38 -0.77 -3.42 115.31 118.99 3hwx h LEU 490 Ca 0.00 -0.41 -0.42 0.00 0.09 0.00 0.00 57.88 57.13 3hwx h LEU 490 Cb 0.34 -0.14 0.04 0.00 0.09 0.00 0.00 40.66 40.99 3hwx h LEU 490 CO 0.00 0.80 -0.87 0.23 0.09 0.00 0.00 178.44 178.69 3hwx n MET 491 N -4.51 -1.12 -1.56 1.13 2.81 0.74 -1.27 117.12 113.34 3hwx n MET 491 Ca -0.04 0.59 -0.42 0.00 -1.81 0.00 0.00 57.70 56.02 3hwx n MET 491 Cb 0.34 -3.56 0.00 0.00 -0.71 0.00 0.00 33.22 29.30 3hwx n MET 491 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 3hwx n PRO 492 N -3.64 1.11 -0.05 0.03 -0.04 -1.26 -4.50 135.00 126.65 3hwx n PRO 492 Ca -0.14 0.40 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 3hwx n PRO 492 Cb 0.60 -1.83 0.06 0.00 -0.04 0.00 0.00 33.50 32.29 3hwx n PRO 492 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hwx n GLN 493 N 0.41 1.18 -4.12 0.54 1.13 -1.26 -4.92 117.38 110.34 3hwx n GLN 493 Ca 0.10 -1.33 -0.35 0.00 -1.94 0.00 0.00 57.00 53.48 3hwx n GLN 493 Cb 0.37 -1.17 -0.03 0.00 0.11 0.00 0.00 30.24 29.52 3hwx n GLN 493 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3hwx n ASN 494 N 0.38 -1.54 -4.46 1.08 3.02 -1.26 -4.93 115.26 107.55 3hwx n ASN 494 Ca 0.06 -1.22 -0.22 0.00 -0.03 0.00 0.00 54.58 53.17 3hwx n ASN 494 Cb 0.27 -2.04 -0.10 0.00 -0.61 0.00 0.00 39.78 37.30 3hwx n ASN 494 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hwx s VAL 495 N -3.94 1.75 0.13 2.41 0.11 -1.26 -5.16 120.40 114.43 3hwx s VAL 495 Ca 0.21 -2.13 -0.01 0.00 -2.93 0.00 0.00 61.98 57.12 3hwx s VAL 495 Cb -0.11 -2.51 -0.04 0.00 -1.53 0.00 0.00 36.38 32.19 3hwx s VAL 495 CO 0.96 -0.26 0.06 -1.00 -3.33 0.00 0.00 175.10 171.53 3hwx s HIS 496 N -2.94 0.86 -0.63 1.54 3.76 -1.26 -5.03 115.29 111.60 3hwx s HIS 496 Ca 0.30 -1.23 0.06 0.00 -0.15 0.00 0.00 55.06 54.04 3hwx s HIS 496 Cb 0.04 -0.48 0.10 0.00 1.11 0.00 0.00 32.58 33.35 3hwx s HIS 496 CO 0.13 -0.52 0.88 1.19 -0.85 0.00 0.00 174.74 175.57 3hwx n PHE 497 N -0.09 0.11 -0.20 1.40 3.01 -1.26 -4.69 117.46 115.74 3hwx n PHE 497 Ca -0.05 -0.22 -0.07 0.00 1.01 0.00 0.00 57.45 58.11 3hwx n PHE 497 Cb 0.64 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 40.12 3hwx n PHE 497 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3hwx h GLU 498 N 1.12 0.79 -0.27 -1.08 4.81 -1.99 -2.10 114.58 115.86 3hwx h GLU 498 Ca 0.00 -0.10 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 3hwx h GLU 498 Cb 0.41 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3hwx h GLU 498 CO 0.00 0.61 -0.35 0.45 -0.73 0.00 0.00 179.01 178.99 3hwx h HIS 499 N 0.75 0.71 -0.80 0.92 3.86 -2.00 -1.75 115.15 116.83 3hwx h HIS 499 Ca 0.20 -0.19 -0.02 0.00 -1.16 0.00 0.00 60.37 59.20 3hwx h HIS 499 Cb 0.06 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3hwx h HIS 499 CO -0.01 0.87 0.43 0.00 0.86 0.00 0.00 177.93 180.09 3hwx h ALA 500 N 1.11 1.03 0.63 2.45 0.00 -1.80 -1.66 119.26 121.02 3hwx h ALA 500 Ca 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3hwx h ALA 500 Cb 0.85 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3hwx h ALA 500 CO 0.07 0.55 -0.46 0.00 0.00 0.00 0.00 179.25 179.41 3hwx h ALA 501 N 1.23 -1.20 -0.85 0.00 0.00 -0.97 -3.11 119.26 114.36 3hwx h ALA 501 Ca 0.28 -0.21 0.22 0.00 0.00 0.00 0.00 54.91 55.20 3hwx h ALA 501 Cb 0.04 0.62 -0.13 0.00 0.00 0.00 0.00 17.79 18.32 3hwx h ALA 501 CO -0.04 -1.19 0.24 0.00 0.00 0.00 0.00 179.25 178.26 3hwx h ALA 502 N -1.14 1.22 -0.72 0.00 0.00 -1.16 -0.83 119.26 116.63 3hwx h ALA 502 Ca -0.08 0.21 0.15 0.00 0.00 0.00 0.00 54.91 55.19 3hwx h ALA 502 Cb 0.86 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3hwx h ALA 502 CO 0.04 -0.42 0.49 1.98 0.00 0.00 0.00 179.25 181.33 3hwx h MET 503 N 0.24 0.32 -0.31 0.00 -1.53 -1.24 -1.25 114.93 111.16 3hwx h MET 503 Ca 0.52 -0.02 0.00 0.00 -3.44 0.00 0.00 59.70 56.76 3hwx h MET 503 Cb 1.02 -0.07 0.00 0.00 -0.55 0.00 0.00 31.60 31.99 3hwx h MET 503 CO -0.61 0.21 0.00 1.19 0.14 0.00 0.00 176.91 177.84 3hwx n PHE 504 N -4.45 0.40 -3.19 1.39 3.72 -0.44 -5.00 117.46 109.89 3hwx n PHE 504 Ca 0.14 -0.26 -0.12 0.00 -0.05 0.00 0.00 57.45 57.16 3hwx n PHE 504 Cb 0.56 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 39.15 3hwx n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hwx n GLU 505 N 1.13 -2.03 -4.78 -1.08 1.02 -0.45 -4.88 120.64 109.57 3hwx n GLU 505 Ca 0.15 0.99 -0.25 0.00 -0.02 0.00 0.00 57.16 58.03 3hwx n GLU 505 Cb 0.51 -5.77 -0.16 0.00 -0.02 0.00 0.00 31.44 26.00 3hwx n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hwx s LEU 506 N -5.07 1.90 0.31 -4.62 1.43 -0.94 -5.00 118.68 106.71 3hwx s LEU 506 Ca 0.36 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 3hwx s LEU 506 Cb -0.05 -0.91 -0.12 0.00 0.03 0.00 0.00 46.19 45.14 3hwx s LEU 506 CO 0.73 0.14 1.41 0.29 0.23 0.00 0.00 176.35 179.15 3hwx n LYS 507 N 3.14 2.30 -4.31 1.70 5.02 -1.24 -4.28 118.16 120.49 3hwx n LYS 507 Ca -0.18 0.81 -0.18 0.00 -2.02 0.00 0.00 58.31 56.74 3hwx n LYS 507 Cb 0.53 -2.47 -0.10 0.00 -0.02 0.00 0.00 35.03 32.97 3hwx n LYS 507 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3hwx s TYR 508 N -0.65 1.62 -0.24 2.13 5.04 -1.26 -0.51 117.35 123.48 3hwx s TYR 508 Ca 0.60 -0.57 -0.19 0.00 -2.44 0.00 0.00 57.07 54.46 3hwx s TYR 508 Cb -0.56 -0.78 0.06 0.00 0.35 0.00 0.00 41.96 41.03 3hwx s TYR 508 CO 0.57 0.28 0.62 -1.01 -1.34 0.00 0.00 175.55 174.67 3hwx s HIS 509 N -2.70 -0.76 -0.57 4.97 3.76 -0.36 -4.94 115.29 114.69 3hwx s HIS 509 Ca 0.18 1.74 0.05 0.00 -0.15 0.00 0.00 55.06 56.89 3hwx s HIS 509 Cb -0.02 0.33 0.20 0.00 1.11 0.00 0.00 32.58 34.19 3hwx s HIS 509 CO 0.05 -0.38 0.50 -2.13 -0.85 0.00 0.00 174.74 171.94 3hwx n ARG 510 N 3.24 1.33 -1.73 1.40 0.63 -1.26 -1.92 116.66 118.34 3hwx n ARG 510 Ca -0.16 -3.96 -0.33 0.00 -0.92 0.00 0.00 57.85 52.47 3hwx n ARG 510 Cb 0.56 -1.95 0.05 0.00 0.45 0.00 0.00 32.46 31.57 3hwx n ARG 510 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hwx s PRO 511 N -1.17 2.71 0.00 -0.14 0.04 -1.26 -4.96 135.00 130.22 3hwx s PRO 511 Ca 0.31 1.49 0.00 0.00 0.04 0.00 0.00 61.00 62.84 3hwx s PRO 511 Cb 0.05 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.66 3hwx s PRO 511 CO -0.14 -1.34 0.53 1.04 0.04 0.00 0.00 177.00 177.14 3hwx n GLN 512 N -2.38 0.28 -3.81 4.56 6.02 -1.26 -4.71 117.38 116.09 3hwx n GLN 512 Ca 0.11 -0.66 -0.06 0.00 -0.01 0.00 0.00 57.00 56.38 3hwx n GLN 512 Cb 0.52 -0.86 -0.02 0.00 1.02 0.00 0.00 30.24 30.90 3hwx n GLN 512 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 3hwx s ASN 513 N -0.25 -0.24 0.13 1.08 2.20 -1.26 -5.03 114.94 111.57 3hwx s ASN 513 Ca 0.00 -0.52 -0.17 0.00 -0.94 0.00 0.00 52.86 51.23 3hwx s ASN 513 Cb 0.00 0.65 -0.02 0.00 -2.00 0.00 0.00 41.25 39.88 3hwx s ASN 513 CO 0.00 -1.19 1.74 -0.50 -2.94 0.00 0.00 177.10 174.21 3hwx h TRP 514 N 2.00 0.47 -0.66 1.54 4.06 -1.97 0.30 115.95 121.69 3hwx h TRP 514 Ca -0.21 -0.01 0.12 0.00 2.06 0.00 0.00 58.89 60.86 3hwx h TRP 514 Cb 1.25 -0.15 -0.13 0.00 -1.00 0.00 0.00 29.16 29.13 3hwx h TRP 514 CO 0.41 0.37 -0.25 0.37 -3.56 0.00 0.00 178.44 175.77 3hwx h GLN 515 N 0.44 -0.07 0.00 0.49 4.15 -1.99 0.33 115.11 118.45 3hwx h GLN 515 Ca 0.12 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.48 3hwx h GLN 515 Cb 0.05 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.74 3hwx h GLN 515 CO -0.02 -0.05 -0.32 0.93 -1.93 0.00 0.00 178.83 177.44 3hwx h GLU 516 N -0.07 0.00 -0.03 1.69 5.08 -1.71 -2.71 114.58 116.83 3hwx h GLU 516 Ca 0.29 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.39 3hwx h GLU 516 Cb 0.53 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.80 3hwx h GLU 516 CO -0.71 0.32 -1.00 1.25 -1.00 0.00 0.00 179.01 177.87 3hwx h LEU 517 N 0.00 0.92 -0.43 1.33 5.85 0.22 -3.18 115.31 120.03 3hwx h LEU 517 Ca -0.00 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 3hwx h LEU 517 Cb 0.60 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 3hwx h LEU 517 CO 0.04 1.52 0.17 -0.33 -0.34 0.00 0.00 178.44 179.50 3hwx h GLU 518 N 0.42 0.64 0.34 1.25 5.08 -0.46 -2.62 114.58 119.23 3hwx h GLU 518 Ca -0.12 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 3hwx h GLU 518 Cb 1.65 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3hwx h GLU 518 CO 0.20 0.59 -0.22 1.15 -1.00 0.00 0.00 179.01 179.73 3hwx h THR 519 N 0.55 0.53 -0.64 1.13 2.02 -1.60 0.50 112.91 115.41 3hwx h THR 519 Ca 0.14 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.38 3hwx h THR 519 Cb 0.19 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 67.05 3hwx h THR 519 CO -0.01 0.00 -0.46 0.00 0.37 0.00 0.00 175.52 175.42 3hwx h ALA 520 N 0.08 -0.51 -0.20 6.16 0.00 -1.61 -2.65 119.26 120.53 3hwx h ALA 520 Ca -0.03 0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3hwx h ALA 520 Cb 0.46 1.22 -0.07 0.00 0.00 0.00 0.00 17.79 19.39 3hwx h ALA 520 CO 0.02 -0.81 -0.46 0.74 0.00 0.00 0.00 179.25 178.75 3hwx h PHE 521 N -0.10 -1.34 0.00 0.00 0.04 -1.05 0.22 116.94 114.71 3hwx h PHE 521 Ca 0.10 0.06 0.00 0.00 2.80 0.00 0.00 57.97 60.93 3hwx h PHE 521 Cb 0.37 0.61 0.00 0.00 2.20 0.00 0.00 35.95 39.13 3hwx h PHE 521 CO -0.91 -0.49 0.00 0.00 -0.60 0.00 0.00 178.31 176.31 3hwx h ALA 522 N 0.07 1.00 0.03 2.45 0.00 -0.81 -0.81 119.26 121.18 3hwx h ALA 522 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.63 3hwx h ALA 522 Cb 0.63 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3hwx h ALA 522 CO -0.45 0.00 -2.02 -3.47 0.00 0.00 0.00 179.25 173.31 3hwx n ASP 523 N -2.62 1.97 -0.20 0.00 2.03 -0.92 -4.29 116.55 112.52 3hwx n ASP 523 Ca -0.02 0.24 0.29 0.00 0.52 0.00 0.00 54.79 55.83 3hwx n ASP 523 Cb 0.07 -0.80 0.72 0.00 -0.72 0.00 0.00 41.12 40.39 3hwx n ASP 523 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hwx h ALA 524 N -0.41 2.85 0.00 -1.67 0.00 0.84 -0.43 119.26 120.45 3hwx h ALA 524 Ca -0.51 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3hwx h ALA 524 Cb 1.67 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.53 3hwx h ALA 524 CO -0.18 -1.12 0.00 0.91 0.00 0.00 0.00 179.25 178.86 3hwx n TRP 525 N -4.27 0.00 0.07 0.00 5.03 -0.76 -3.95 117.44 113.56 3hwx n TRP 525 Ca 0.20 0.00 -0.06 0.00 3.03 0.00 0.00 57.50 60.67 3hwx n TRP 525 Cb 0.99 -0.35 -0.09 0.00 -1.03 0.00 0.00 31.31 30.83 3hwx n TRP 525 CO 0.00 0.00 0.00 0.07 -0.03 0.00 0.00 177.69 177.73 3hwx h ARG 526 N 0.00 0.00 -6.57 -0.99 0.11 -1.29 -3.46 114.38 102.19 3hwx h ARG 526 Ca 0.00 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.43 3hwx h ARG 526 Cb 0.26 0.00 -0.19 0.00 1.11 0.00 0.00 29.97 31.15 3hwx h ARG 526 CO 0.00 0.93 -0.82 0.95 0.10 0.00 0.00 179.97 181.13 3hwx s THR 527 N -2.76 2.30 -1.14 0.08 -4.23 -1.25 -5.02 115.64 103.61 3hwx s THR 527 Ca 0.01 -2.01 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3hwx s THR 527 Cb 0.10 -2.09 -0.12 0.00 1.34 0.00 0.00 72.50 71.72 3hwx s THR 527 CO 0.81 -0.13 2.92 -0.81 -0.54 0.00 0.00 174.62 176.87 3hwx n PRO 528 N 0.29 3.01 -4.22 3.99 -0.04 -1.26 -3.67 135.00 133.10 3hwx n PRO 528 Ca -0.13 -1.78 -0.15 0.00 -0.04 0.00 0.00 63.50 61.40 3hwx n PRO 528 Cb 0.56 -2.55 -0.11 0.00 -0.04 0.00 0.00 33.50 31.37 3hwx n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hwx s THR 529 N 2.14 1.12 -0.17 0.52 -4.23 -1.26 -4.45 115.64 109.30 3hwx s THR 529 Ca 0.63 -1.84 -0.21 0.00 -1.18 0.00 0.00 61.69 59.09 3hwx s THR 529 Cb 0.19 -1.61 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 3hwx s THR 529 CO -0.04 -0.61 0.64 -0.89 -0.54 0.00 0.00 174.62 173.18 3hwx s THR 530 N -2.76 5.03 -0.23 3.99 2.01 -1.26 -2.92 115.64 119.49 3hwx s THR 530 Ca 0.11 1.23 -0.08 0.00 0.31 0.00 0.00 61.69 63.26 3hwx s THR 530 Cb -0.01 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3hwx s THR 530 CO 0.01 0.14 0.09 -0.89 -0.69 0.00 0.00 174.62 173.28 3hwx s THR 531 N 1.70 4.69 -0.09 -0.82 2.01 -0.54 -3.64 115.64 118.95 3hwx s THR 531 Ca 0.30 -0.05 -0.20 0.00 0.31 0.00 0.00 61.69 62.05 3hwx s THR 531 Cb -0.16 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3hwx s THR 531 CO 0.11 0.36 0.56 -0.69 -0.69 0.00 0.00 174.62 174.28 3hwx s VAL 532 N 1.21 5.12 -0.25 3.82 1.01 0.34 -1.94 120.40 129.70 3hwx s VAL 532 Ca 0.05 1.14 0.02 0.00 0.00 0.00 0.00 61.98 63.19 3hwx s VAL 532 Cb -0.14 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.40 3hwx s VAL 532 CO 0.04 0.31 -0.09 -0.63 0.00 0.00 0.00 175.10 174.73 3hwx s ILE 533 N 0.60 2.00 -0.34 2.22 1.01 -0.63 -1.22 121.20 124.83 3hwx s ILE 533 Ca 0.30 -1.54 -0.20 0.00 0.00 0.00 0.00 60.65 59.21 3hwx s ILE 533 Cb -0.16 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.15 3hwx s ILE 533 CO 0.13 -0.06 0.60 -0.70 0.00 0.00 0.00 174.94 174.91 3hwx s GLU 534 N 1.18 3.75 -0.57 2.79 2.12 -0.81 -1.17 118.70 125.99 3hwx s GLU 534 Ca -0.08 0.08 -0.19 0.00 0.36 0.00 0.00 54.97 55.14 3hwx s GLU 534 Cb -0.20 -3.78 0.09 0.00 0.26 0.00 0.00 34.13 30.50 3hwx s GLU 534 CO -0.05 -0.65 0.70 1.41 -0.54 0.00 0.00 175.26 176.13 3hwx s MET 535 N 2.58 3.07 -0.32 4.30 1.75 -0.44 -4.00 119.30 126.24 3hwx s MET 535 Ca 0.23 -1.16 -0.29 0.00 -1.25 0.00 0.00 55.69 53.23 3hwx s MET 535 Cb -0.15 -4.21 0.02 0.00 2.84 0.00 0.00 34.83 33.32 3hwx s MET 535 CO 0.13 -1.46 1.06 0.08 -0.65 0.00 0.00 175.02 174.18 3hwx s VAL 536 N 2.76 4.52 0.13 10.11 1.01 -1.26 -0.04 120.40 137.63 3hwx s VAL 536 Ca 0.13 1.72 0.06 0.00 0.00 0.00 0.00 61.98 63.89 3hwx s VAL 536 Cb -0.22 -4.41 -0.04 0.00 0.00 0.00 0.00 36.38 31.72 3hwx s VAL 536 CO 0.08 -0.47 -0.14 0.68 0.00 0.00 0.00 175.10 175.25 3hwx s VAL 537 N 3.62 1.38 0.26 2.92 -7.23 -0.35 -4.96 120.40 116.04 3hwx s VAL 537 Ca 0.45 -1.74 -0.31 0.00 -1.81 0.00 0.00 61.98 58.57 3hwx s VAL 537 Cb -0.12 -1.57 -0.13 0.00 0.56 0.00 0.00 36.38 35.13 3hwx s VAL 537 CO 0.15 -0.41 1.47 0.59 -0.31 0.00 0.00 175.10 176.60 3hwx n ASN 538 N 0.51 3.17 0.00 4.85 3.02 -1.26 -4.34 115.26 121.20 3hwx n ASN 538 Ca -0.15 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.55 3hwx n ASN 538 Cb 0.57 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 3hwx n ASN 538 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3hwx n ASP 539 N 2.09 0.00 -0.35 6.41 5.75 -1.26 -3.24 116.55 125.95 3hwx n ASP 539 Ca 0.10 0.17 0.12 0.00 -0.01 0.00 0.00 54.79 55.17 3hwx n ASP 539 Cb 0.34 -0.05 0.17 0.00 -1.03 0.00 0.00 41.12 40.55 3hwx n ASP 539 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3hwx n THR 540 N -1.35 0.00 -0.28 2.12 -2.24 -1.26 -4.57 114.28 106.69 3hwx n THR 540 Ca 0.00 -0.18 0.12 0.00 -2.27 0.00 0.00 64.05 61.72 3hwx n THR 540 Cb 0.00 0.82 0.36 0.00 -2.10 0.00 0.00 70.33 69.42 3hwx n THR 540 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hwx h ASP 541 N 1.71 0.68 -0.04 3.42 3.32 -1.95 -0.06 116.42 123.50 3hwx h ASP 541 Ca 0.00 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3hwx h ASP 541 Cb 0.62 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3hwx h ASP 541 CO 0.00 0.34 -0.08 1.23 -1.72 0.00 0.00 179.24 179.01 3hwx h GLY 542 N 0.72 0.14 0.98 2.75 0.00 -1.82 -0.61 103.07 105.23 3hwx h GLY 542 Ca 0.46 -0.16 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 3hwx h GLY 542 CO -0.22 0.15 0.22 0.00 0.00 0.00 0.00 176.54 176.69 3hwx h ALA 543 N 0.46 0.45 0.34 3.60 0.00 -1.73 -1.96 119.26 120.42 3hwx h ALA 543 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3hwx h ALA 543 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 3hwx h ALA 543 CO 0.02 -0.06 -0.39 1.96 0.00 0.00 0.00 179.25 180.78 3hwx h GLN 544 N 0.46 -0.74 -0.13 0.00 4.20 -1.03 -1.47 115.11 116.41 3hwx h GLN 544 Ca 0.13 0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.90 3hwx h GLN 544 Cb -0.01 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3hwx h GLN 544 CO -0.02 -0.49 -0.20 1.15 -0.67 0.00 0.00 178.83 178.59 3hwx h THR 545 N -0.77 0.00 -0.94 -0.54 2.02 -0.89 0.19 112.91 111.98 3hwx h THR 545 Ca -0.02 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.44 3hwx h THR 545 Cb 0.70 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.95 3hwx h THR 545 CO -0.09 0.00 0.20 0.25 0.37 0.00 0.00 175.52 176.25 3hwx h LEU 546 N -0.16 -0.15 -0.74 2.58 5.85 -1.31 0.53 115.31 121.91 3hwx h LEU 546 Ca 0.02 0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.99 3hwx h LEU 546 Cb 0.22 0.36 -0.04 0.00 0.37 0.00 0.00 40.66 41.58 3hwx h LEU 546 CO -0.21 -0.29 0.48 1.56 -0.34 0.00 0.00 178.44 179.65 3hwx h GLN 547 N 0.09 0.98 0.00 1.25 4.20 0.39 -0.68 115.11 121.33 3hwx h GLN 547 Ca 0.62 -0.06 -0.11 0.00 0.06 0.00 0.00 58.65 59.16 3hwx h GLN 547 Cb 1.34 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3hwx h GLN 547 CO -0.79 0.65 -0.52 1.96 -0.67 0.00 0.00 178.83 179.47 3hwx h GLN 548 N 1.00 0.00 0.00 1.46 4.20 0.21 -2.52 115.11 119.46 3hwx h GLN 548 Ca 0.27 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.88 3hwx h GLN 548 Cb -0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3hwx h GLN 548 CO -0.06 0.52 -0.62 -0.07 -0.67 0.00 0.00 178.83 177.93 3hwx h LEU 549 N 0.00 0.00 0.89 1.46 3.38 -1.03 -0.80 115.31 119.22 3hwx h LEU 549 Ca -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3hwx h LEU 549 Cb 0.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 3hwx h LEU 549 CO 0.07 0.42 -0.45 -0.07 0.09 0.00 0.00 178.44 178.50 3hwx h LEU 550 N 0.00 -1.07 -1.19 1.67 3.38 -0.88 -2.84 115.31 114.38 3hwx h LEU 550 Ca -0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hwx h LEU 550 Cb 1.35 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 42.34 3hwx h LEU 550 CO 0.05 -0.74 0.51 0.00 0.09 0.00 0.00 178.44 178.35 3hwx h ALA 551 N -1.11 1.41 -0.46 1.53 0.00 -1.26 -1.78 119.26 117.58 3hwx h ALA 551 Ca -0.12 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3hwx h ALA 551 Cb 0.94 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3hwx h ALA 551 CO 0.19 0.54 0.27 0.37 0.00 0.00 0.00 179.25 180.62 3hwx h GLN 552 N 1.09 0.53 0.00 0.00 4.15 -1.22 -2.97 115.11 116.68 3hwx h GLN 552 Ca 0.29 -0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.59 3hwx h GLN 552 Cb -0.10 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.46 3hwx h GLN 552 CO -0.06 0.35 -0.40 0.28 -1.93 0.00 0.00 178.83 177.07 3hwx h VAL 553 N 0.54 0.80 0.00 2.39 2.07 -1.10 -2.92 116.25 118.04 3hwx h VAL 553 Ca 0.18 -1.77 -0.07 0.00 0.82 0.00 0.00 66.70 65.86 3hwx h VAL 553 Cb 0.02 2.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3hwx h VAL 553 CO -0.09 0.40 -0.34 0.77 0.02 0.00 0.00 177.57 178.33 3hwx h SER 554 N 0.00 0.00 0.47 0.57 4.64 -1.20 -3.30 113.55 114.72 3hwx h SER 554 Ca -0.00 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.02 3hwx h SER 554 Cb 1.10 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3hwx h SER 554 CO 0.05 0.34 -1.73 1.41 -0.87 0.00 0.00 176.83 176.03 3hwx n HIS 555 N -3.52 0.98 0.66 4.77 8.25 -1.11 -4.54 115.22 120.72 3hwx n HIS 555 Ca -0.00 0.35 0.05 0.00 -0.26 0.00 0.00 57.72 57.86 3hwx n HIS 555 Cb 0.49 -1.18 0.31 0.00 1.12 0.00 0.00 29.99 30.73 3hwx n HIS 555 CO 0.00 0.00 0.00 1.47 0.64 0.00 0.00 176.34 178.45