#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 6.51 0.35 7.83 0.15 -1.26 -4.90 113.70 122.37 3hwx s SER 2 Ca 0.00 0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.88 3hwx s SER 2 Cb 0.00 -2.41 0.66 0.00 -1.71 0.00 0.00 66.02 62.56 3hwx s SER 2 CO 0.00 -0.85 1.97 0.58 1.20 0.00 0.00 173.24 176.15 3hwx h VAL 3 N 5.88 1.09 -0.69 4.45 2.07 -1.98 -2.12 116.25 124.95 3hwx h VAL 3 Ca -0.24 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 3hwx h VAL 3 Cb 1.09 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 3hwx h VAL 3 CO 0.95 0.16 0.41 0.77 0.02 0.00 0.00 177.57 179.88 3hwx h SER 4 N 0.85 0.83 0.63 0.57 4.64 -1.88 0.34 113.55 119.54 3hwx h SER 4 Ca 0.29 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.53 3hwx h SER 4 Cb 0.09 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3hwx h SER 4 CO -0.08 0.65 -0.07 0.00 -0.87 0.00 0.00 176.83 176.45 3hwx h ALA 5 N 1.21 1.09 0.06 5.18 0.00 -1.68 -2.75 119.26 122.37 3hwx h ALA 5 Ca 0.25 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.77 3hwx h ALA 5 Cb -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3hwx h ALA 5 CO -0.05 0.09 -1.77 0.35 0.00 0.00 0.00 179.25 177.88 3hwx h PHE 6 N 0.00 0.21 -0.97 0.00 3.57 -0.67 -3.18 116.94 115.90 3hwx h PHE 6 Ca -0.00 -0.16 0.27 0.00 3.53 0.00 0.00 57.97 61.61 3hwx h PHE 6 Cb 0.41 -0.01 -0.14 0.00 2.79 0.00 0.00 35.95 39.00 3hwx h PHE 6 CO 0.00 1.31 0.52 -0.91 -2.23 0.00 0.00 178.31 177.00 3hwx h ASN 7 N 0.03 0.49 0.39 0.41 2.35 -0.07 -0.60 115.58 118.57 3hwx h ASN 7 Ca -0.32 0.17 -0.32 0.00 -0.55 0.00 0.00 56.30 55.28 3hwx h ASN 7 Cb 2.02 0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.50 3hwx h ASN 7 CO 0.09 -0.03 -1.55 0.03 -1.65 0.00 0.00 177.43 174.32 3hwx h ARG 8 N 0.41 0.33 0.24 0.81 3.08 -1.61 -2.69 114.38 114.94 3hwx h ARG 8 Ca 0.66 -0.56 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3hwx h ARG 8 Cb 1.37 0.21 -0.03 0.00 0.08 0.00 0.00 29.97 31.60 3hwx h ARG 8 CO -0.55 1.22 -0.35 0.00 -1.07 0.00 0.00 179.97 179.21 3hwx h ARG 9 N 0.09 -0.63 -0.87 0.04 2.47 -1.43 0.13 114.38 114.18 3hwx h ARG 9 Ca -0.26 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.59 3hwx h ARG 9 Cb 2.05 0.14 -0.11 0.00 -1.65 0.00 0.00 29.97 30.41 3hwx h ARG 9 CO 0.19 -0.42 -0.49 1.87 0.56 0.00 0.00 179.97 181.68 3hwx n TRP 10 N -5.44 -0.33 -0.02 3.04 -0.00 -0.27 -0.85 117.44 113.56 3hwx n TRP 10 Ca -0.08 1.09 -0.09 0.00 -0.00 0.00 0.00 57.50 58.41 3hwx n TRP 10 Cb 0.35 -0.60 -0.03 0.00 -0.00 0.00 0.00 31.31 31.03 3hwx n TRP 10 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3hwx h ALA 11 N 0.54 -0.21 -0.51 5.87 0.00 -1.14 -2.92 119.26 120.89 3hwx h ALA 11 Ca 0.16 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.19 3hwx h ALA 11 Cb 0.38 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 3hwx h ALA 11 CO -0.83 -0.71 0.34 0.00 0.00 0.00 0.00 179.25 178.06 3hwx h ALA 12 N 0.67 1.92 -0.17 0.00 0.00 0.13 0.44 119.26 122.24 3hwx h ALA 12 Ca 0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.85 3hwx h ALA 12 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3hwx h ALA 12 CO -0.36 -0.01 -0.57 0.28 0.00 0.00 0.00 179.25 178.60 3hwx h VAL 13 N 0.44 1.33 -0.25 0.00 2.07 -1.15 -0.76 116.25 117.92 3hwx h VAL 13 Ca 0.22 -1.83 -0.15 0.00 0.82 0.00 0.00 66.70 65.76 3hwx h VAL 13 Cb 0.32 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3hwx h VAL 13 CO -0.06 0.57 -0.42 0.40 0.02 0.00 0.00 177.57 178.08 3hwx h ILE 14 N 0.41 1.30 -0.24 4.57 2.04 -0.03 -0.84 117.51 124.72 3hwx h ILE 14 Ca 0.00 -1.62 -0.16 0.00 1.00 0.00 0.00 64.86 64.08 3hwx h ILE 14 Cb 1.11 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3hwx h ILE 14 CO 0.11 0.52 -0.48 -0.07 0.00 0.00 0.00 178.15 178.22 3hwx h LEU 15 N 0.46 0.84 -0.44 1.44 3.38 -1.02 -3.00 115.31 116.97 3hwx h LEU 15 Ca 0.02 -0.55 -0.06 0.00 0.09 0.00 0.00 57.88 57.39 3hwx h LEU 15 Cb 1.02 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3hwx h LEU 15 CO 0.10 1.23 0.06 -0.08 0.09 0.00 0.00 178.44 179.83 3hwx h GLU 16 N 0.48 0.74 -0.87 1.13 4.57 -1.06 -1.57 114.58 118.00 3hwx h GLU 16 Ca 0.01 -0.20 0.19 0.00 -1.18 0.00 0.00 59.36 58.17 3hwx h GLU 16 Cb 1.09 -0.08 -0.06 0.00 -0.16 0.00 0.00 28.75 29.53 3hwx h GLU 16 CO 0.11 0.77 0.58 0.00 -1.18 0.00 0.00 179.01 179.28 3hwx h ALA 17 N 0.93 2.14 0.00 2.92 0.00 -1.18 0.45 119.26 124.53 3hwx h ALA 17 Ca 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hwx h ALA 17 Cb 0.40 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hwx h ALA 17 CO 0.01 -0.40 -0.09 -0.07 0.00 0.00 0.00 179.25 178.70 3hwx h LEU 18 N 0.44 0.00 -1.05 0.00 3.38 -1.13 -2.61 115.31 114.34 3hwx h LEU 18 Ca 0.45 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.36 3hwx h LEU 18 Cb 1.05 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3hwx h LEU 18 CO -0.17 0.09 0.08 0.74 0.09 0.00 0.00 178.44 179.27 3hwx h THR 19 N 0.00 1.22 0.00 0.22 2.02 -0.86 -2.44 112.91 113.07 3hwx h THR 19 Ca -0.00 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3hwx h THR 19 Cb 0.23 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3hwx h THR 19 CO 0.01 0.30 0.00 0.54 0.37 0.00 0.00 175.52 176.75 3hwx n ARG 20 N -4.27 0.75 -0.37 6.66 3.00 -0.98 -2.88 116.66 118.58 3hwx n ARG 20 Ca 0.03 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 57.94 3hwx n ARG 20 Cb 0.24 -1.10 0.11 0.00 0.00 0.00 0.00 32.46 31.71 3hwx n ARG 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 3hwx n HIS 21 N -0.60 0.00 -0.13 -1.55 8.25 -0.92 -4.31 115.22 115.96 3hwx n HIS 21 Ca 0.04 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 3hwx n HIS 21 Cb 0.02 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 30.99 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 -0.88 1.29 3.54 -1.41 0.00 -1.14 -4.53 105.19 102.06 3hwx n GLY 22 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3hwx n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3hwx n VAL 23 N -2.00 -0.07 -0.08 1.61 0.31 -1.22 -4.60 118.33 112.28 3hwx n VAL 23 Ca 0.00 -0.69 -0.08 0.00 -0.01 0.00 0.00 64.34 63.56 3hwx n VAL 23 Cb 0.00 -2.46 -0.04 0.00 -0.91 0.00 0.00 33.84 30.43 3hwx n VAL 23 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 3hwx h ARG 24 N 18.34 0.00 -6.35 5.55 2.43 -1.87 -3.43 114.38 129.05 3hwx h ARG 24 Ca -0.20 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.43 3hwx h ARG 24 Cb 1.26 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.78 3hwx h ARG 24 CO 1.19 0.26 0.24 -1.01 -1.51 0.00 0.00 179.97 179.14 3hwx s HIS 25 N -2.18 3.71 -0.04 2.20 3.76 -1.26 -1.15 115.29 120.34 3hwx s HIS 25 Ca -0.16 1.57 0.01 0.00 -0.15 0.00 0.00 55.06 56.33 3hwx s HIS 25 Cb 0.02 -2.94 0.02 0.00 1.11 0.00 0.00 32.58 30.80 3hwx s HIS 25 CO 0.29 0.17 -0.03 -1.50 -0.85 0.00 0.00 174.74 172.81 3hwx s ILE 26 N 0.33 0.44 -0.12 0.60 2.07 -0.39 -0.69 121.20 123.44 3hwx s ILE 26 Ca 0.43 -0.07 -0.03 0.00 -1.41 0.00 0.00 60.65 59.58 3hwx s ILE 26 Cb -0.21 -0.48 -0.03 0.00 0.13 0.00 0.00 42.46 41.87 3hwx s ILE 26 CO 0.25 0.20 -0.03 0.00 -1.91 0.00 0.00 174.94 173.46 3hwx s ILE 28 N -0.21 0.57 0.19 0.00 1.01 0.06 -0.27 121.20 122.55 3hwx s ILE 28 Ca 0.04 -0.15 0.10 0.00 0.00 0.00 0.00 60.65 60.64 3hwx s ILE 28 Cb -0.13 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 3hwx s ILE 28 CO 0.02 0.23 -0.12 0.00 0.00 0.00 0.00 174.94 175.07 3hwx s ALA 29 N 0.85 2.86 0.41 9.38 0.00 -0.95 -2.58 121.76 131.73 3hwx s ALA 29 Ca -0.12 -1.53 -0.24 0.00 0.00 0.00 0.00 51.96 50.07 3hwx s ALA 29 Cb -0.14 -0.63 -0.09 0.00 0.00 0.00 0.00 23.12 22.25 3hwx s ALA 29 CO 0.01 0.44 1.05 -1.25 0.00 0.00 0.00 175.76 176.01 3hwx s PRO 30 N -2.87 4.11 0.09 0.00 0.04 -1.26 -4.67 135.00 130.44 3hwx s PRO 30 Ca 0.25 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 3hwx s PRO 30 Cb -0.08 -2.49 0.07 0.00 0.04 0.00 0.00 34.50 32.04 3hwx s PRO 30 CO 0.14 -0.19 0.96 0.41 0.04 0.00 0.00 177.00 178.36 3hwx n GLY 31 N 0.28 0.55 0.69 0.56 0.00 -1.26 -4.64 105.19 101.36 3hwx n GLY 31 Ca 0.06 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.90 3hwx n GLY 31 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3hwx n SER 32 N -1.10 0.75 -0.11 1.61 2.88 -1.26 -4.60 113.62 111.78 3hwx n SER 32 Ca 0.00 0.11 0.24 0.00 -1.33 0.00 0.00 58.87 57.89 3hwx n SER 32 Cb 0.50 -0.27 0.69 0.00 -0.75 0.00 0.00 64.21 64.37 3hwx n SER 32 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 3hwx h ARG 33 N -0.32 0.05 -0.66 -1.46 9.65 -1.97 -0.43 114.38 119.23 3hwx h ARG 33 Ca -0.24 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.64 3hwx h ARG 33 Cb 1.21 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 3hwx h ARG 33 CO -0.14 0.03 0.00 -1.13 2.80 0.00 0.00 179.97 181.53 3hwx n SER 34 N -4.34 3.47 -0.34 -3.80 3.41 -1.26 -4.62 113.62 106.13 3hwx n SER 34 Ca 0.15 -2.41 0.03 0.00 -0.26 0.00 0.00 58.87 56.38 3hwx n SER 34 Cb 0.79 -0.53 0.17 0.00 -0.26 0.00 0.00 64.21 64.38 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 2.48 1.03 -0.06 6.66 2.02 -1.32 -0.78 112.91 122.94 3hwx h THR 35 Ca 0.00 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 3hwx h THR 35 Cb 1.18 -0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 3hwx h THR 35 CO 0.22 0.19 -0.17 -0.07 0.37 0.00 0.00 175.52 176.06 3hwx h LEU 36 N 1.05 0.26 -0.07 2.58 3.38 -1.84 -0.22 115.31 120.46 3hwx h LEU 36 Ca 0.42 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hwx h LEU 36 Cb 0.24 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 3hwx h LEU 36 CO -0.19 0.81 -0.42 -0.07 0.09 0.00 0.00 178.44 178.66 3hwx h LEU 37 N -0.28 -1.33 -0.35 1.67 3.38 -1.88 1.09 115.31 117.62 3hwx h LEU 37 Ca -0.00 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.20 3hwx h LEU 37 Cb 0.78 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.97 3hwx h LEU 37 CO 0.04 -0.39 -0.18 0.74 0.09 0.00 0.00 178.44 178.74 3hwx h THR 38 N -0.48 0.47 -0.30 0.22 2.02 -1.19 -0.93 112.91 112.72 3hwx h THR 38 Ca 0.02 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.19 3hwx h THR 38 Cb 0.54 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3hwx h THR 38 CO -0.32 0.00 0.15 -0.07 0.37 0.00 0.00 175.52 175.65 3hwx h LEU 39 N -0.12 0.39 -2.40 2.58 3.38 -0.80 -1.55 115.31 116.79 3hwx h LEU 39 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hwx h LEU 39 Cb 0.39 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hwx h LEU 39 CO -0.43 0.39 -0.03 0.00 0.09 0.00 0.00 178.44 178.47 3hwx h ALA 40 N 1.01 1.14 0.00 1.53 0.00 0.18 -1.50 119.26 121.63 3hwx h ALA 40 Ca 0.11 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 40 Cb 0.10 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hwx h ALA 40 CO -0.01 0.03 -1.37 0.00 0.00 0.00 0.00 179.25 177.90 3hwx h ALA 41 N 1.97 0.65 0.00 0.00 0.00 -0.83 -3.07 119.26 117.98 3hwx h ALA 41 Ca -0.00 -0.81 -0.21 0.00 0.00 0.00 0.00 54.91 53.90 3hwx h ALA 41 Cb 0.17 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hwx h ALA 41 CO 0.00 0.88 -0.98 0.00 0.00 0.00 0.00 179.25 179.16 3hwx h ALA 42 N 1.44 0.39 0.11 0.00 0.00 -0.27 -3.31 119.26 117.62 3hwx h ALA 42 Ca -0.15 -0.88 -0.27 0.00 0.00 0.00 0.00 54.91 53.60 3hwx h ALA 42 Cb 1.56 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 19.23 3hwx h ALA 42 CO 0.04 1.21 -1.14 0.93 0.00 0.00 0.00 179.25 180.29 3hwx h GLU 43 N 0.00 0.57 -6.26 0.00 5.08 -1.53 -3.44 114.58 109.01 3hwx h GLU 43 Ca -0.01 -0.77 -0.55 0.00 -1.00 0.00 0.00 59.36 57.03 3hwx h GLU 43 Cb 1.73 0.25 -0.00 0.00 0.50 0.00 0.00 28.75 31.23 3hwx h GLU 43 CO 0.13 1.34 1.20 1.21 -1.00 0.00 0.00 179.01 181.89 3hwx s ASN 44 N -7.32 6.36 0.00 1.42 3.84 -1.16 -4.88 114.94 113.21 3hwx s ASN 44 Ca -0.10 2.16 0.31 0.00 0.21 0.00 0.00 52.86 55.44 3hwx s ASN 44 Cb 0.05 -2.53 1.86 0.00 -0.55 0.00 0.00 41.25 40.08 3hwx s ASN 44 CO 0.91 -1.19 2.20 -1.54 -2.79 0.00 0.00 177.10 174.69 3hwx n SER 45 N 8.22 0.00 0.16 -4.21 3.41 -1.26 -3.34 113.62 116.59 3hwx n SER 45 Ca 0.20 -1.02 0.12 0.00 -0.26 0.00 0.00 58.87 57.91 3hwx n SER 45 Cb 0.43 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.54 3hwx n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx h ALA 46 N 3.97 0.83 -2.41 7.33 0.00 -1.94 -3.47 119.26 123.58 3hwx h ALA 46 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 3hwx h ALA 46 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hwx h ALA 46 CO 0.00 0.00 -0.19 -0.06 0.00 0.00 0.00 179.25 179.00 3hwx s PHE 47 N -3.23 3.48 -0.27 0.00 0.08 -1.21 -4.78 117.98 112.05 3hwx s PHE 47 Ca 0.06 0.52 -0.06 0.00 0.12 0.00 0.00 56.93 57.56 3hwx s PHE 47 Cb 0.08 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.52 3hwx s PHE 47 CO 0.70 0.20 0.06 0.42 -0.10 0.00 0.00 175.22 176.49 3hwx s ILE 48 N -2.10 3.96 -0.17 0.64 1.01 -0.30 -5.00 121.20 119.24 3hwx s ILE 48 Ca 0.42 -0.52 -0.15 0.00 0.00 0.00 0.00 60.65 60.39 3hwx s ILE 48 Cb -0.11 -2.96 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 3hwx s ILE 48 CO 0.31 0.20 0.35 -1.00 0.00 0.00 0.00 174.94 174.81 3hwx s HIS 49 N 1.53 3.44 0.03 3.97 3.76 -1.26 -1.26 115.29 125.50 3hwx s HIS 49 Ca 0.04 0.64 0.09 0.00 -0.15 0.00 0.00 55.06 55.68 3hwx s HIS 49 Cb -0.16 -2.44 -0.03 0.00 1.11 0.00 0.00 32.58 31.06 3hwx s HIS 49 CO 0.02 0.14 -0.25 -1.01 -0.85 0.00 0.00 174.74 172.79 3hwx s HIS 50 N 0.79 2.36 0.08 1.40 3.76 0.05 -4.98 115.29 118.75 3hwx s HIS 50 Ca 0.19 -0.39 0.05 0.00 -0.15 0.00 0.00 55.06 54.75 3hwx s HIS 50 Cb -0.14 -1.42 -0.03 0.00 1.11 0.00 0.00 32.58 32.10 3hwx s HIS 50 CO 0.06 0.12 -0.13 0.95 -0.85 0.00 0.00 174.74 174.89 3hwx s THR 51 N -0.80 1.07 0.01 1.30 -4.23 -1.26 -0.76 115.64 110.97 3hwx s THR 51 Ca 0.12 -1.36 -0.28 0.00 -1.18 0.00 0.00 61.69 58.99 3hwx s THR 51 Cb -0.10 -1.10 0.08 0.00 1.34 0.00 0.00 72.50 72.72 3hwx s THR 51 CO 0.02 -0.29 0.69 -2.28 -0.54 0.00 0.00 174.62 172.22 3hwx s HIS 52 N -1.47 -0.58 -0.01 3.99 5.04 -1.07 -4.96 115.29 116.23 3hwx s HIS 52 Ca -0.01 0.80 0.08 0.00 -1.54 0.00 0.00 55.06 54.38 3hwx s HIS 52 Cb -0.09 0.47 -0.24 0.00 0.04 0.00 0.00 32.58 32.76 3hwx s HIS 52 CO 0.02 -0.66 0.80 0.27 -2.34 0.00 0.00 174.74 172.83 3hwx h PHE 53 N 2.61 0.11 -3.55 3.88 -5.15 -1.99 -3.40 116.94 109.45 3hwx h PHE 53 Ca -0.28 -0.08 -0.62 0.00 -0.20 0.00 0.00 57.97 56.79 3hwx h PHE 53 Cb 1.20 -0.00 -0.13 0.00 0.22 0.00 0.00 35.95 37.24 3hwx h PHE 53 CO 0.32 1.12 0.10 0.34 -2.00 0.00 0.00 178.31 178.19 3hwx s ASP 54 N -6.43 6.46 0.46 -0.68 -1.08 -1.26 -4.90 116.67 109.24 3hwx s ASP 54 Ca -0.06 0.38 0.21 0.00 -0.52 0.00 0.00 52.55 52.57 3hwx s ASP 54 Cb 0.08 -2.32 1.11 0.00 -1.46 0.00 0.00 42.92 40.34 3hwx s ASP 54 CO 0.82 -0.45 1.95 -0.33 0.52 0.00 0.00 175.17 177.68 3hwx h GLU 55 N 8.20 0.00 0.10 4.34 3.07 -1.90 0.16 114.58 128.54 3hwx h GLU 55 Ca -0.27 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.58 3hwx h GLU 55 Cb 1.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.03 3hwx h GLU 55 CO 0.79 0.22 -0.05 -0.09 -1.40 0.00 0.00 179.01 178.48 3hwx h ARG 56 N 0.00 -0.12 -0.98 2.33 2.43 -1.91 -0.96 114.38 115.16 3hwx h ARG 56 Ca -0.00 0.01 0.21 0.00 -0.81 0.00 0.00 59.98 59.39 3hwx h ARG 56 Cb 0.50 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 29.98 3hwx h ARG 56 CO 0.03 0.29 0.62 0.78 -1.51 0.00 0.00 179.97 180.19 3hwx h GLY 57 N -0.59 1.37 1.02 2.80 0.00 -1.85 -2.92 103.07 102.91 3hwx h GLY 57 Ca -0.01 -0.27 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 3hwx h GLY 57 CO 0.02 -0.07 0.13 -2.00 0.00 0.00 0.00 176.54 174.62 3hwx h LEU 58 N 0.56 0.92 -0.63 3.11 5.85 -0.27 0.28 115.31 125.13 3hwx h LEU 58 Ca 0.55 -0.24 0.09 0.00 0.84 0.00 0.00 57.88 59.12 3hwx h LEU 58 Cb 1.14 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 3hwx h LEU 58 CO -0.30 0.93 0.26 1.23 -0.34 0.00 0.00 178.44 180.21 3hwx h GLY 59 N 0.87 0.91 1.66 3.75 0.00 -1.02 -2.50 103.07 106.74 3hwx h GLY 59 Ca 0.18 -0.14 -0.18 0.00 0.00 0.00 0.00 47.33 47.19 3hwx h GLY 59 CO 0.01 -0.00 -1.03 0.45 0.00 0.00 0.00 176.54 175.96 3hwx h HIS 60 N 0.45 0.00 -0.21 5.60 3.86 -1.23 -0.73 115.15 122.89 3hwx h HIS 60 Ca 0.32 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 3hwx h HIS 60 Cb 0.38 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 3hwx h HIS 60 CO -0.15 0.78 0.12 1.25 0.86 0.00 0.00 177.93 180.78 3hwx h LEU 61 N 0.00 0.27 -0.64 2.43 5.85 -0.42 0.97 115.31 123.76 3hwx h LEU 61 Ca -0.08 -0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.53 3hwx h LEU 61 Cb 1.66 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.59 3hwx h LEU 61 CO 0.09 0.28 0.33 0.00 -0.34 0.00 0.00 178.44 178.79 3hwx h ALA 62 N 1.00 0.83 0.54 1.25 0.00 -1.29 -1.16 119.26 120.43 3hwx h ALA 62 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3hwx h ALA 62 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3hwx h ALA 62 CO -0.01 0.37 -0.30 1.25 0.00 0.00 0.00 179.25 180.56 3hwx h LEU 63 N 0.88 -0.73 -0.87 0.00 5.85 -1.03 -0.77 115.31 118.63 3hwx h LEU 63 Ca 0.22 0.04 0.22 0.00 0.84 0.00 0.00 57.88 59.19 3hwx h LEU 63 Cb 0.09 0.21 -0.16 0.00 0.37 0.00 0.00 40.66 41.17 3hwx h LEU 63 CO -0.03 -0.49 0.02 1.23 -0.34 0.00 0.00 178.44 178.83 3hwx h GLY 64 N -0.79 1.03 1.00 3.75 0.00 -0.47 0.42 103.07 108.02 3hwx h GLY 64 Ca -0.07 0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3hwx h GLY 64 CO 0.09 -0.38 -0.06 1.41 0.00 0.00 0.00 176.54 177.60 3hwx h LEU 65 N 0.07 0.82 -0.75 3.11 3.38 -0.85 -1.76 115.31 119.34 3hwx h LEU 65 Ca 0.50 -0.34 -0.13 0.00 0.09 0.00 0.00 57.88 58.00 3hwx h LEU 65 Cb 0.95 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 3hwx h LEU 65 CO -0.78 0.97 -0.62 0.00 0.09 0.00 0.00 178.44 178.10 3hwx h ALA 66 N 0.88 0.97 0.29 1.53 0.00 0.40 0.89 119.26 124.22 3hwx h ALA 66 Ca 0.12 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 3hwx h ALA 66 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3hwx h ALA 66 CO 0.04 0.77 -0.14 -0.22 0.00 0.00 0.00 179.25 179.69 3hwx h LYS 67 N 0.02 -0.38 0.00 0.00 3.64 -0.02 -2.65 116.57 117.18 3hwx h LYS 67 Ca -0.01 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3hwx h LYS 67 Cb 1.10 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3hwx h LYS 67 CO 0.08 -0.10 0.00 0.28 -2.27 0.00 0.00 179.45 177.44 3hwx n VAL 68 N -5.16 0.00 0.14 2.00 0.31 -0.68 -4.12 118.33 110.82 3hwx n VAL 68 Ca -0.10 1.30 0.15 0.00 -0.01 0.00 0.00 64.34 65.68 3hwx n VAL 68 Cb 0.24 -2.28 0.71 0.00 -0.91 0.00 0.00 33.84 31.61 3hwx n VAL 68 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3hwx h SER 69 N 0.00 0.00 0.00 4.52 4.64 0.69 -3.45 113.55 119.95 3hwx h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwx h SER 69 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hwx h SER 69 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3hwx n LYS 70 N -4.29 -0.02 -3.45 4.77 5.02 -1.00 -5.03 118.16 114.16 3hwx n LYS 70 Ca 0.03 0.01 -0.19 0.00 -2.02 0.00 0.00 58.31 56.14 3hwx n LYS 70 Cb 0.36 -3.07 -0.01 0.00 -0.02 0.00 0.00 35.03 32.29 3hwx n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3hwx s GLN 71 N -0.28 3.03 0.35 1.97 -1.52 -1.26 -4.97 119.66 116.97 3hwx s GLN 71 Ca 0.00 -1.08 -0.28 0.00 -1.95 0.00 0.00 55.36 52.05 3hwx s GLN 71 Cb 0.00 -2.77 -0.10 0.00 -0.22 0.00 0.00 33.01 29.92 3hwx s GLN 71 CO 0.00 0.02 1.28 -2.14 -0.25 0.00 0.00 175.29 174.20 3hwx s PRO 72 N -4.18 4.28 -0.19 2.91 0.02 -1.26 -4.52 135.00 132.06 3hwx s PRO 72 Ca 0.46 2.15 -0.02 0.00 0.02 0.00 0.00 61.00 63.61 3hwx s PRO 72 Cb -0.09 -2.99 -0.00 0.00 0.02 0.00 0.00 34.50 31.44 3hwx s PRO 72 CO 0.31 -0.23 -0.11 0.08 -0.33 0.00 0.00 177.00 176.72 3hwx s VAL 73 N -1.19 2.89 0.46 3.83 1.01 -0.14 -4.08 120.40 123.18 3hwx s VAL 73 Ca 0.51 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.60 3hwx s VAL 73 Cb -0.38 -2.27 -0.08 0.00 0.00 0.00 0.00 36.38 33.64 3hwx s VAL 73 CO 0.50 0.48 1.05 0.00 0.00 0.00 0.00 175.10 177.13 3hwx s ALA 74 N 1.23 2.94 0.00 5.51 0.00 0.14 -1.01 121.76 130.57 3hwx s ALA 74 Ca 0.02 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.67 3hwx s ALA 74 Cb -0.14 -3.27 -0.01 0.00 0.00 0.00 0.00 23.12 19.70 3hwx s ALA 74 CO -0.05 -0.32 -0.05 0.08 0.00 0.00 0.00 175.76 175.42 3hwx s VAL 75 N -1.83 0.39 -0.06 0.00 1.01 -0.01 0.37 120.40 120.27 3hwx s VAL 75 Ca 0.64 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.35 3hwx s VAL 75 Cb -0.19 -0.34 0.02 0.00 0.00 0.00 0.00 36.38 35.86 3hwx s VAL 75 CO 0.24 0.06 -0.08 -0.63 0.00 0.00 0.00 175.10 174.69 3hwx s ILE 76 N -0.23 0.88 0.08 2.22 1.01 0.63 -0.71 121.20 125.09 3hwx s ILE 76 Ca 0.01 -0.31 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3hwx s ILE 76 Cb -0.03 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 3hwx s ILE 76 CO -0.00 0.31 -0.07 0.68 0.00 0.00 0.00 174.94 175.85 3hwx s VAL 77 N 0.95 0.67 1.10 2.92 -7.23 -0.08 -2.25 120.40 116.47 3hwx s VAL 77 Ca -0.10 -1.63 -0.17 0.00 -1.81 0.00 0.00 61.98 58.27 3hwx s VAL 77 Cb -0.15 -1.31 0.24 0.00 0.56 0.00 0.00 36.38 35.73 3hwx s VAL 77 CO 0.00 -0.68 1.17 0.28 -0.31 0.00 0.00 175.10 175.56 3hwx s THR 78 N -2.79 1.77 0.75 5.32 -1.32 -1.26 -0.83 115.64 117.29 3hwx s THR 78 Ca 0.04 0.00 -0.11 0.00 -1.21 0.00 0.00 61.69 60.41 3hwx s THR 78 Cb -0.00 -2.66 0.04 0.00 -1.51 0.00 0.00 72.50 68.37 3hwx s THR 78 CO -0.03 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.53 3hwx s SER 79 N -4.17 4.93 0.00 8.08 1.04 -0.94 -3.95 113.70 118.69 3hwx s SER 79 Ca 0.71 1.32 0.00 0.00 0.48 0.00 0.00 55.95 58.46 3hwx s SER 79 Cb -0.09 -2.11 0.00 0.00 0.10 0.00 0.00 66.02 63.92 3hwx s SER 79 CO 0.55 -1.69 0.00 0.61 0.98 0.00 0.00 173.24 173.69 3hwx n GLY 80 N -2.32 0.53 0.18 7.32 0.00 -1.25 -4.33 105.19 105.32 3hwx n GLY 80 Ca 0.07 -1.67 0.13 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.28 2.61 1.35 -1.91 -2.34 112.91 112.35 3hwx h THR 81 Ca 0.00 -0.22 0.05 0.00 -0.55 0.00 0.00 66.41 65.69 3hwx h THR 81 Cb 0.00 0.97 -0.05 0.00 -1.73 0.00 0.00 68.15 67.34 3hwx h THR 81 CO 0.00 0.00 -0.01 0.00 -0.25 0.00 0.00 175.52 175.26 3hwx h ALA 82 N 2.15 0.24 -0.96 6.62 0.00 -1.82 -1.94 119.26 123.56 3hwx h ALA 82 Ca 0.00 0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.11 3hwx h ALA 82 Cb 0.30 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.15 3hwx h ALA 82 CO 0.00 -0.42 0.61 0.28 0.00 0.00 0.00 179.25 179.72 3hwx h VAL 83 N 0.07 0.91 0.01 0.00 2.07 -1.54 -2.31 116.25 115.47 3hwx h VAL 83 Ca 0.13 -0.31 -0.20 0.00 0.82 0.00 0.00 66.70 67.14 3hwx h VAL 83 Cb 0.18 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 3hwx h VAL 83 CO -0.23 0.17 -0.91 0.00 0.02 0.00 0.00 177.57 176.61 3hwx h ALA 84 N 1.56 0.48 0.00 1.67 0.00 -1.44 -2.88 119.26 118.65 3hwx h ALA 84 Ca 0.47 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3hwx h ALA 84 Cb 0.53 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3hwx h ALA 84 CO -0.24 0.97 0.00 -0.91 0.00 0.00 0.00 179.25 179.07 3hwx h ASN 85 N 0.08 0.00 0.29 0.00 2.35 -0.78 -1.23 115.58 116.29 3hwx h ASN 85 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3hwx h ASN 85 Cb 1.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.94 3hwx h ASN 85 CO 0.14 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.10 3hwx n LEU 86 N -2.39 0.00 -0.10 1.61 4.77 -1.09 -3.86 117.00 115.94 3hwx n LEU 86 Ca -0.02 0.19 -0.12 0.00 -0.03 0.00 0.00 56.01 56.04 3hwx n LEU 86 Cb 0.05 -0.19 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3hwx n LEU 86 CO 0.12 -0.05 0.70 0.22 -1.33 0.00 0.00 177.39 177.05 3hwx h TYR 87 N 0.00 0.68 -0.17 -1.77 3.20 -1.43 -1.57 116.97 115.91 3hwx h TYR 87 Ca 0.00 -0.15 0.04 0.00 3.14 0.00 0.00 58.73 61.76 3hwx h TYR 87 Cb 0.15 -0.16 -0.07 0.00 1.54 0.00 0.00 36.73 38.18 3hwx h TYR 87 CO 0.00 0.79 -0.48 -1.35 -1.64 0.00 0.00 178.16 175.48 3hwx h PRO 88 N 0.37 -0.50 -0.41 1.82 0.11 -1.83 0.26 132.00 131.83 3hwx h PRO 88 Ca 0.08 0.03 -0.13 0.00 0.11 0.00 0.00 66.00 66.09 3hwx h PRO 88 Cb 0.58 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 3hwx h PRO 88 CO 0.03 -0.33 -0.25 0.00 -0.21 0.00 0.00 178.00 177.24 3hwx h ALA 89 N -0.03 0.78 -0.78 -0.75 0.00 -1.85 -2.59 119.26 114.04 3hwx h ALA 89 Ca 0.06 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3hwx h ALA 89 Cb 0.65 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3hwx h ALA 89 CO -0.44 0.65 0.49 1.25 0.00 0.00 0.00 179.25 181.20 3hwx h LEU 90 N 0.73 0.79 -1.01 0.00 5.85 -0.98 -1.03 115.31 119.66 3hwx h LEU 90 Ca 0.09 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3hwx h LEU 90 Cb 0.80 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3hwx h LEU 90 CO 0.07 0.54 0.05 0.40 -0.34 0.00 0.00 178.44 179.15 3hwx h ILE 91 N 0.93 1.23 -0.26 4.05 2.04 -0.81 0.11 117.51 124.80 3hwx h ILE 91 Ca 0.32 -0.90 -0.10 0.00 1.00 0.00 0.00 64.86 65.18 3hwx h ILE 91 Cb 0.06 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3hwx h ILE 91 CO -0.13 0.32 -0.23 -0.08 0.00 0.00 0.00 178.15 178.03 3hwx h GLU 92 N 0.72 0.62 -0.40 2.37 4.57 -1.00 -2.42 114.58 119.04 3hwx h GLU 92 Ca 0.15 -0.32 0.08 0.00 -1.18 0.00 0.00 59.36 58.09 3hwx h GLU 92 Cb 0.37 0.01 -0.07 0.00 -0.16 0.00 0.00 28.75 28.90 3hwx h GLU 92 CO 0.01 0.91 -0.02 0.00 -1.18 0.00 0.00 179.01 178.73 3hwx h ALA 93 N 0.70 0.35 -1.00 2.92 0.00 -0.68 -0.04 119.26 121.51 3hwx h ALA 93 Ca 0.05 0.13 0.19 0.00 0.00 0.00 0.00 54.91 55.28 3hwx h ALA 93 Cb 0.79 0.23 -0.19 0.00 0.00 0.00 0.00 17.79 18.62 3hwx h ALA 93 CO 0.06 -0.41 -0.27 0.78 0.00 0.00 0.00 179.25 179.41 3hwx h GLY 94 N 0.08 0.64 0.59 0.00 0.00 -0.50 0.20 103.07 104.08 3hwx h GLY 94 Ca 0.20 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.88 3hwx h GLY 94 CO -0.35 -0.36 -0.91 1.04 0.00 0.00 0.00 176.54 175.96 3hwx n LEU 95 N -5.61 0.64 -0.00 3.11 4.77 -0.76 -4.45 117.00 114.71 3hwx n LEU 95 Ca 0.15 -0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.07 3hwx n LEU 95 Cb 0.49 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 3hwx n LEU 95 CO -0.12 0.09 -0.22 0.35 -1.33 0.00 0.00 177.39 176.16 3hwx n THR 96 N -1.80 0.00 0.00 -5.08 -2.24 -0.10 -4.98 114.28 100.08 3hwx n THR 96 Ca 0.03 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3hwx n THR 96 Cb 0.40 0.77 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 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 1.53 2.48 1.83 3.38 0.00 0.63 -4.99 105.19 110.05 3hwx n GLY 97 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 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 0.00 0.00 -3.16 1.61 4.71 -1.26 -0.12 120.64 122.42 3hwx n GLU 98 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 57.16 56.69 3hwx n GLU 98 Cb 0.00 -0.76 -0.02 0.00 -1.01 0.00 0.00 31.44 29.65 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 -0.05 3.57 -0.24 3.49 1.02 -1.26 -2.78 119.74 123.48 3hwx s LYS 99 Ca 0.46 -2.13 -0.15 0.00 0.02 0.00 0.00 55.97 54.17 3hwx s LYS 99 Cb -0.65 -4.61 -0.04 0.00 -0.52 0.00 0.00 37.83 32.02 3hwx s LYS 99 CO 0.30 -1.49 0.38 -0.51 -0.92 0.00 0.00 175.35 173.10 3hwx s LEU 100 N 1.28 4.08 -0.44 3.17 1.43 -1.24 -0.97 118.68 125.98 3hwx s LEU 100 Ca 0.23 0.37 -0.15 0.00 -1.03 0.00 0.00 54.13 53.55 3hwx s LEU 100 Cb -0.09 -2.45 0.05 0.00 0.03 0.00 0.00 46.19 43.73 3hwx s LEU 100 CO -0.08 -0.14 0.35 -0.63 0.23 0.00 0.00 176.35 176.08 3hwx s ILE 101 N 1.76 5.25 -0.39 -0.59 -1.09 -0.18 -1.71 121.20 124.25 3hwx s ILE 101 Ca 0.16 -0.88 -0.20 0.00 -2.23 0.00 0.00 60.65 57.51 3hwx s ILE 101 Cb -0.15 -4.04 0.01 0.00 -1.58 0.00 0.00 42.46 36.70 3hwx s ILE 101 CO 0.09 -0.46 0.59 -0.76 -1.23 0.00 0.00 174.94 173.17 3hwx s LEU 102 N 1.66 4.40 -0.39 2.97 1.43 -0.06 -0.83 118.68 127.86 3hwx s LEU 102 Ca 0.04 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 52.93 3hwx s LEU 102 Cb -0.22 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.36 3hwx s LEU 102 CO 0.08 -0.62 0.22 -0.76 0.23 0.00 0.00 176.35 175.49 3hwx s LEU 103 N 2.62 4.83 -0.17 1.79 1.43 0.11 -0.75 118.68 128.55 3hwx s LEU 103 Ca 0.21 -1.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.15 3hwx s LEU 103 Cb -0.15 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.08 3hwx s LEU 103 CO 0.16 -0.43 -0.17 0.42 0.23 0.00 0.00 176.35 176.55 3hwx s THR 104 N 1.50 2.36 0.40 5.49 -4.23 -0.96 -0.91 115.64 119.30 3hwx s THR 104 Ca 0.02 -0.85 -0.16 0.00 -1.18 0.00 0.00 61.69 59.52 3hwx s THR 104 Cb -0.20 -1.99 -0.09 0.00 1.34 0.00 0.00 72.50 71.55 3hwx s THR 104 CO 0.05 0.52 0.84 0.00 -0.54 0.00 0.00 174.62 175.49 3hwx s ALA 105 N 1.10 3.21 0.19 3.99 0.00 -0.01 -0.03 121.76 130.21 3hwx s ALA 105 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 3hwx s ALA 105 Cb -0.14 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 3hwx s ALA 105 CO -0.06 0.10 0.23 0.34 0.00 0.00 0.00 175.76 176.37 3hwx s ASP 106 N -2.60 0.10 0.89 0.00 2.15 -1.23 -2.22 116.67 113.76 3hwx s ASP 106 Ca 0.56 -1.12 -0.14 0.00 0.43 0.00 0.00 52.55 52.29 3hwx s ASP 106 Cb -0.10 0.42 0.14 0.00 -0.30 0.00 0.00 42.92 43.08 3hwx s ASP 106 CO 0.22 -0.90 1.22 -0.13 -0.17 0.00 0.00 175.17 175.41 3hwx s ARG 107 N -4.06 1.26 0.62 4.34 1.81 -1.26 -1.76 118.95 119.91 3hwx s ARG 107 Ca 0.27 -0.04 -0.10 0.00 -1.72 0.00 0.00 55.73 54.14 3hwx s ARG 107 Cb 0.04 -1.88 -0.02 0.00 -0.45 0.00 0.00 34.95 32.64 3hwx s ARG 107 CO 0.06 -2.05 1.01 -1.25 -0.68 0.00 0.00 175.30 172.39 3hwx s PRO 108 N -5.63 3.31 0.38 3.54 0.04 -1.24 -4.26 135.00 131.14 3hwx s PRO 108 Ca 0.67 0.52 0.13 0.00 0.04 0.00 0.00 61.00 62.36 3hwx s PRO 108 Cb -0.09 -2.12 0.96 0.00 0.04 0.00 0.00 34.50 33.29 3hwx s PRO 108 CO 0.51 -0.67 1.83 -1.00 0.04 0.00 0.00 177.00 177.71 3hwx h PRO 109 N -0.33 0.52 -1.00 0.56 0.13 -1.97 0.42 132.00 130.33 3hwx h PRO 109 Ca -0.45 -0.03 0.31 0.00 -0.87 0.00 0.00 66.00 64.96 3hwx h PRO 109 Cb 1.22 -0.12 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 3hwx h PRO 109 CO 0.62 0.35 0.57 0.93 -0.23 0.00 0.00 178.00 180.24 3hwx h GLU 110 N 0.54 0.37 -0.47 0.86 3.07 -2.02 -2.70 114.58 114.22 3hwx h GLU 110 Ca 0.51 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.35 3hwx h GLU 110 Cb 1.08 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 3hwx h GLU 110 CO -0.25 0.24 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3hwx n LEU 111 N -5.02 2.46 -4.79 1.33 4.77 0.15 -4.81 117.00 111.08 3hwx n LEU 111 Ca 0.31 -1.23 -0.35 0.00 -0.03 0.00 0.00 56.01 54.71 3hwx n LEU 111 Cb 0.93 -0.33 -0.07 0.00 -2.33 0.00 0.00 43.42 41.63 3hwx n LEU 111 CO 0.11 0.56 -0.23 -0.63 -1.33 0.00 0.00 177.39 175.86 3hwx s ILE 112 N -1.51 4.91 -1.72 -0.08 -1.09 -1.02 -4.37 121.20 116.32 3hwx s ILE 112 Ca 0.29 -0.15 -0.01 0.00 -2.23 0.00 0.00 60.65 58.54 3hwx s ILE 112 Cb 0.16 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 3hwx s ILE 112 CO 0.18 0.50 0.17 0.47 -1.23 0.00 0.00 174.94 175.03 3hwx n ASP 113 N 1.67 -5.96 -1.39 3.58 8.00 -1.26 -4.87 116.55 116.31 3hwx n ASP 113 Ca -0.16 -0.09 0.04 0.00 0.71 0.00 0.00 54.79 55.29 3hwx n ASP 113 Cb 0.54 -4.92 0.06 0.00 -0.02 0.00 0.00 41.12 36.77 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 0.11 1.41 3.78 0.00 0.00 -1.26 -4.96 105.19 104.28 3hwx n GLY 115 Ca 0.09 -0.12 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.74 3.03 0.08 4.61 0.00 -1.26 -4.97 121.76 120.51 3hwx s ALA 116 Ca 0.00 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 3hwx s ALA 116 Cb 0.00 -3.31 -0.08 0.00 0.00 0.00 0.00 23.12 19.73 3hwx s ALA 116 CO 0.00 -0.39 1.47 1.21 0.00 0.00 0.00 175.76 178.06 3hwx s ASN 117 N -1.51 6.76 -0.46 0.00 3.84 -1.26 -2.95 114.94 119.36 3hwx s ASN 117 Ca 0.60 2.33 0.00 0.00 0.21 0.00 0.00 52.86 56.01 3hwx s ASN 117 Cb -0.24 -2.57 0.00 0.00 -0.55 0.00 0.00 41.25 37.88 3hwx s ASN 117 CO 0.30 -0.74 0.00 1.67 -2.79 0.00 0.00 177.10 175.53 3hwx n GLN 118 N 4.75 -0.48 -3.68 0.43 7.27 -1.26 -4.99 117.38 119.41 3hwx n GLN 118 Ca 0.13 0.54 -0.38 0.00 0.07 0.00 0.00 57.00 57.37 3hwx n GLN 118 Cb 0.42 -4.21 -0.12 0.00 2.41 0.00 0.00 30.24 28.74 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 -2.07 3.27 0.22 1.69 0.00 -1.15 -3.88 121.76 119.85 3hwx s ALA 119 Ca 0.00 -1.23 0.05 0.00 0.00 0.00 0.00 51.96 50.78 3hwx s ALA 119 Cb 0.00 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 20.79 3hwx s ALA 119 CO 0.00 -0.67 -0.05 0.96 0.00 0.00 0.00 175.76 176.00 3hwx s ILE 120 N 1.64 1.26 -0.55 0.00 -4.36 -1.26 -4.72 121.20 113.21 3hwx s ILE 120 Ca 0.06 -2.07 -0.28 0.00 -0.26 0.00 0.00 60.65 58.09 3hwx s ILE 120 Cb -0.16 -2.26 0.02 0.00 1.25 0.00 0.00 42.46 41.31 3hwx s ILE 120 CO 0.06 -0.42 1.32 -0.13 0.24 0.00 0.00 174.94 176.01 3hwx s ARG 121 N -3.79 3.43 -0.16 0.37 0.52 -1.26 -4.85 118.95 113.21 3hwx s ARG 121 Ca 0.26 0.44 0.17 0.00 -0.52 0.00 0.00 55.73 56.09 3hwx s ARG 121 Cb 0.04 -4.06 -0.25 0.00 0.52 0.00 0.00 34.95 31.20 3hwx s ARG 121 CO 0.08 -1.77 0.20 1.04 0.02 0.00 0.00 175.30 174.87 3hwx n GLN 122 N 8.47 0.68 -2.26 3.54 6.02 -1.26 -4.70 117.38 127.88 3hwx n GLN 122 Ca 0.11 0.03 -0.42 0.00 -0.01 0.00 0.00 57.00 56.72 3hwx n GLN 122 Cb 0.49 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 30.15 3hwx n GLN 122 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3hwx s PRO 123 N -2.58 4.39 0.00 -1.09 0.02 -1.26 -2.97 135.00 131.50 3hwx s PRO 123 Ca -0.09 1.99 0.00 0.00 0.02 0.00 0.00 61.00 62.92 3hwx s PRO 123 Cb 0.07 -3.24 0.00 0.00 0.02 0.00 0.00 34.50 31.34 3hwx s PRO 123 CO 0.83 -0.30 0.00 0.41 -0.33 0.00 0.00 177.00 177.62 3hwx n GLY 124 N 2.88 1.96 0.00 0.52 0.00 -1.26 -4.89 105.19 104.40 3hwx n GLY 124 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.19 3hwx n GLY 124 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 3hwx n MET 125 N -2.00 0.61 -0.12 1.61 0.00 -1.16 -0.03 117.12 116.04 3hwx n MET 125 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 57.70 57.76 3hwx n MET 125 Cb 0.00 -1.43 0.12 0.00 0.00 0.00 0.00 33.22 31.91 3hwx n MET 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 3hwx n PHE 126 N -0.93 0.31 -4.54 3.17 3.72 -1.26 -5.07 117.46 112.86 3hwx n PHE 126 Ca 0.13 -0.31 0.00 0.00 -0.05 0.00 0.00 57.45 57.22 3hwx n PHE 126 Cb 0.06 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 0.64 0.00 1.42 4.37 0.00 0.96 -3.19 120.51 124.71 3hwx n ALA 127 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.65 3hwx n ALA 127 Cb 0.39 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.54 1.24 -0.20 0.00 3.41 -1.26 -4.30 113.62 111.98 3hwx n SER 128 Ca 0.00 -1.64 -0.09 0.00 -0.26 0.00 0.00 58.87 56.88 3hwx n SER 128 Cb 0.00 -0.08 0.02 0.00 -0.26 0.00 0.00 64.21 63.89 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 1.65 1.08 -4.02 7.33 -0.00 -1.98 -3.43 115.15 115.79 3hwx h HIS 129 Ca 0.00 -0.18 -0.54 0.00 -0.00 0.00 0.00 60.37 59.65 3hwx h HIS 129 Cb 0.36 -0.28 0.11 0.00 -0.00 0.00 0.00 27.41 27.60 3hwx h HIS 129 CO 0.08 0.96 0.61 -2.14 -0.00 0.00 0.00 177.93 177.44 3hwx s PRO 130 N -5.05 3.46 0.05 2.45 0.02 -1.26 -4.59 135.00 130.08 3hwx s PRO 130 Ca -0.12 2.19 -0.23 0.00 0.02 0.00 0.00 61.00 62.86 3hwx s PRO 130 Cb 0.13 -2.43 -0.15 0.00 0.02 0.00 0.00 34.50 32.07 3hwx s PRO 130 CO 0.84 -0.92 1.54 1.15 -0.33 0.00 0.00 177.00 179.28 3hwx h THR 131 N 1.83 1.19 -4.04 0.99 2.02 0.75 -3.45 112.91 112.20 3hwx h THR 131 Ca -0.50 -0.57 -0.45 0.00 0.77 0.00 0.00 66.41 65.65 3hwx h THR 131 Cb 1.28 1.45 -0.24 0.00 -1.74 0.00 0.00 68.15 68.89 3hwx h THR 131 CO 0.59 0.16 -0.80 -1.00 0.37 0.00 0.00 175.52 174.84 3hwx s HIS 132 N -5.30 1.29 0.01 3.16 3.76 -1.18 -5.05 115.29 111.99 3hwx s HIS 132 Ca -0.14 -0.37 0.08 0.00 -0.15 0.00 0.00 55.06 54.48 3hwx s HIS 132 Cb 0.05 -0.76 -0.02 0.00 1.11 0.00 0.00 32.58 32.96 3hwx s HIS 132 CO 0.68 0.05 -0.25 -1.12 -0.85 0.00 0.00 174.74 173.25 3hwx s SER 133 N -1.22 2.93 -0.09 1.40 0.01 -1.26 -2.47 113.70 113.00 3hwx s SER 133 Ca 0.02 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 56.77 3hwx s SER 133 Cb -0.08 -0.29 0.02 0.00 0.21 0.00 0.00 66.02 65.88 3hwx s SER 133 CO 0.01 0.27 -0.06 -0.63 0.41 0.00 0.00 173.24 173.24 3hwx s ILE 134 N -0.69 0.84 -0.67 1.44 1.01 0.27 -4.95 121.20 118.44 3hwx s ILE 134 Ca 0.10 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.56 3hwx s ILE 134 Cb -0.10 -0.87 0.17 0.00 0.01 0.00 0.00 42.46 41.67 3hwx s ILE 134 CO 0.01 0.32 0.48 -0.55 0.00 0.00 0.00 174.94 175.20 3hwx s SER 135 N 1.52 5.05 0.50 3.58 0.15 -1.26 -0.33 113.70 122.90 3hwx s SER 135 Ca 0.00 -3.34 -0.23 0.00 0.70 0.00 0.00 55.95 53.09 3hwx s SER 135 Cb -0.13 -1.76 -0.06 0.00 -1.71 0.00 0.00 66.02 62.36 3hwx s SER 135 CO -0.05 -0.22 1.27 -0.76 1.20 0.00 0.00 173.24 174.68 3hwx s LEU 136 N -0.75 3.95 1.05 3.45 1.43 -0.84 -4.98 118.68 121.99 3hwx s LEU 136 Ca 0.21 2.56 -0.17 0.00 -1.03 0.00 0.00 54.13 55.71 3hwx s LEU 136 Cb -0.15 -4.22 0.23 0.00 0.03 0.00 0.00 46.19 42.07 3hwx s LEU 136 CO -0.08 -1.22 1.22 -2.16 0.23 0.00 0.00 176.35 174.34 3hwx s PRO 137 N -2.75 -0.02 0.02 1.29 0.04 -1.26 -4.46 135.00 127.85 3hwx s PRO 137 Ca 0.67 -0.22 -0.35 0.00 0.04 0.00 0.00 61.00 61.14 3hwx s PRO 137 Cb -0.35 -1.75 -0.13 0.00 0.04 0.00 0.00 34.50 32.30 3hwx s PRO 137 CO 0.42 -2.89 1.70 -2.13 0.04 0.00 0.00 177.00 174.15 3hwx n ARG 138 N -4.14 2.03 -1.68 4.56 0.63 -1.26 -4.63 116.66 112.17 3hwx n ARG 138 Ca 0.14 0.74 -0.46 0.00 -0.92 0.00 0.00 57.85 57.35 3hwx n ARG 138 Cb 0.59 -2.53 -0.04 0.00 0.45 0.00 0.00 32.46 30.94 3hwx n ARG 138 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hwx n PRO 139 N 4.88 2.42 -3.95 -0.14 -0.02 -1.26 -4.99 135.00 131.94 3hwx n PRO 139 Ca 0.20 0.89 -0.10 0.00 -2.02 0.00 0.00 63.50 62.47 3hwx n PRO 139 Cb 0.27 -2.75 -0.11 0.00 -0.02 0.00 0.00 33.50 30.89 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 3.39 0.10 -0.34 3.45 -1.32 -1.26 -4.99 115.64 114.66 3hwx s THR 140 Ca 0.88 -0.79 0.23 0.00 -1.21 0.00 0.00 61.69 60.80 3hwx s THR 140 Cb -0.60 -0.27 0.23 0.00 -1.51 0.00 0.00 72.50 70.35 3hwx s THR 140 CO 0.45 -0.43 1.69 1.67 -2.21 0.00 0.00 174.62 175.78 3hwx n GLN 141 N 1.70 0.17 0.21 7.08 7.27 -1.26 -2.88 117.38 129.68 3hwx n GLN 141 Ca -0.23 0.53 0.11 0.00 0.07 0.00 0.00 57.00 57.48 3hwx n GLN 141 Cb 0.56 -1.92 0.22 0.00 2.41 0.00 0.00 30.24 31.51 3hwx n GLN 141 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3hwx h ASP 142 N 0.00 0.00 -3.31 1.69 3.32 -1.97 -3.41 116.42 112.74 3hwx h ASP 142 Ca 0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 3hwx h ASP 142 Cb 0.19 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 3hwx h ASP 142 CO 0.00 0.10 -0.18 -0.63 -1.72 0.00 0.00 179.24 176.81 3hwx s ILE 143 N -3.24 5.21 0.05 0.35 1.01 -1.14 -5.05 121.20 118.39 3hwx s ILE 143 Ca 0.05 0.87 -0.31 0.00 0.00 0.00 0.00 60.65 61.27 3hwx s ILE 143 Cb 0.06 -3.78 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 3hwx s ILE 143 CO 0.67 0.35 1.22 -2.16 0.00 0.00 0.00 174.94 175.02 3hwx s PRO 144 N 0.53 4.41 0.40 2.79 0.04 -1.26 -4.87 135.00 137.03 3hwx s PRO 144 Ca 0.24 1.80 0.27 0.00 0.04 0.00 0.00 61.00 63.34 3hwx s PRO 144 Cb -0.15 -3.37 1.38 0.00 0.04 0.00 0.00 34.50 32.41 3hwx s PRO 144 CO 0.09 -0.30 1.51 0.00 0.04 0.00 0.00 177.00 178.34 3hwx n ALA 145 N 4.10 1.19 0.26 8.56 0.00 -1.26 0.20 120.51 133.55 3hwx n ALA 145 Ca 0.09 0.89 0.10 0.00 0.00 0.00 0.00 53.44 54.53 3hwx n ALA 145 Cb 0.46 -1.01 0.71 0.00 0.00 0.00 0.00 19.45 19.62 3hwx n ALA 145 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 3hwx h ARG 146 N 0.00 0.00 -0.02 0.00 0.11 -1.90 -1.98 114.38 110.59 3hwx h ARG 146 Ca 0.84 0.00 -0.26 0.00 0.10 0.00 0.00 59.98 60.66 3hwx h ARG 146 Cb 2.51 0.00 0.02 0.00 1.11 0.00 0.00 29.97 33.61 3hwx h ARG 146 CO -0.56 0.00 -1.01 2.35 0.10 0.00 0.00 179.97 180.85 3hwx h TRP 147 N 0.00 1.05 -0.19 4.08 7.01 0.18 -2.79 115.95 125.29 3hwx h TRP 147 Ca 0.01 -0.55 0.04 0.00 2.11 0.00 0.00 58.89 60.50 3hwx h TRP 147 Cb 0.04 -0.13 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 3hwx h TRP 147 CO 0.00 1.39 -0.09 1.25 -2.79 0.00 0.00 178.44 178.20 3hwx h LEU 148 N 0.42 -0.30 -0.72 0.65 5.85 -1.30 -1.94 115.31 117.96 3hwx h LEU 148 Ca -0.12 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.54 3hwx h LEU 148 Cb 1.66 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.84 3hwx h LEU 148 CO 0.20 -0.12 -0.57 1.62 -0.34 0.00 0.00 178.44 179.23 3hwx h VAL 149 N -0.07 1.38 -0.75 1.05 3.04 -1.59 -2.10 116.25 117.21 3hwx h VAL 149 Ca 0.10 -1.91 -0.03 0.00 -1.01 0.00 0.00 66.70 63.85 3hwx h VAL 149 Cb 0.22 1.96 -0.03 0.00 -2.01 0.00 0.00 31.29 31.43 3hwx h VAL 149 CO -0.23 0.56 0.34 0.28 -1.01 0.00 0.00 177.57 177.50 3hwx h SER 150 N 0.16 1.01 -0.20 3.17 0.02 -1.24 0.18 113.55 116.64 3hwx h SER 150 Ca -0.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3hwx h SER 150 Cb 1.05 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3hwx h SER 150 CO 0.09 0.88 0.07 0.74 -1.14 0.00 0.00 176.83 177.47 3hwx h THR 151 N 1.07 1.17 0.20 -2.27 2.02 -1.16 0.17 112.91 114.10 3hwx h THR 151 Ca 0.25 -0.53 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3hwx h THR 151 Cb 0.16 1.15 -0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3hwx h THR 151 CO -0.03 0.17 -0.12 0.40 0.37 0.00 0.00 175.52 176.31 3hwx h ILE 152 N 0.17 0.75 -0.94 3.11 5.03 -1.23 0.52 117.51 124.92 3hwx h ILE 152 Ca 0.07 0.00 0.06 0.00 -0.12 0.00 0.00 64.86 64.87 3hwx h ILE 152 Cb 0.20 0.75 -0.06 0.00 -3.03 0.00 0.00 36.82 34.68 3hwx h ILE 152 CO -0.00 0.00 0.61 0.44 -0.68 0.00 0.00 178.15 178.52 3hwx h ASP 153 N -0.30 0.96 -0.16 1.72 3.32 -0.67 0.29 116.42 121.58 3hwx h ASP 153 Ca -0.02 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3hwx h ASP 153 Cb 0.25 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3hwx h ASP 153 CO 0.02 0.62 0.05 -0.74 -1.72 0.00 0.00 179.24 177.47 3hwx h HIS 154 N 1.10 0.26 -0.50 4.55 -0.00 -0.29 0.20 115.15 120.46 3hwx h HIS 154 Ca 0.40 -0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.69 3hwx h HIS 154 Cb 0.16 -0.08 -0.02 0.00 -0.00 0.00 0.00 27.41 27.47 3hwx h HIS 154 CO -0.00 0.37 0.13 0.00 -0.00 0.00 0.00 177.93 178.43 3hwx h ALA 155 N 0.86 0.66 0.23 5.26 0.00 -0.30 -1.84 119.26 124.14 3hwx h ALA 155 Ca 0.05 -0.21 -0.31 0.00 0.00 0.00 0.00 54.91 54.44 3hwx h ALA 155 Cb 0.23 -0.19 0.04 0.00 0.00 0.00 0.00 17.79 17.87 3hwx h ALA 155 CO -0.00 0.34 -1.36 -0.07 0.00 0.00 0.00 179.25 178.16 3hwx h LEU 156 N 0.69 0.79 -0.65 0.00 4.07 -0.42 -2.91 115.31 116.87 3hwx h LEU 156 Ca 0.16 -0.92 0.13 0.00 0.08 0.00 0.00 57.88 57.32 3hwx h LEU 156 Cb 0.32 -0.26 -0.09 0.00 1.08 0.00 0.00 40.66 41.71 3hwx h LEU 156 CO 0.00 1.66 0.16 1.23 -1.08 0.00 0.00 178.44 180.41 3hwx h GLY 157 N 0.07 0.88 0.12 0.83 0.00 -0.61 -2.55 103.07 101.81 3hwx h GLY 157 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.05 3hwx h GLY 157 CO 0.26 -0.13 -0.09 -1.30 0.00 0.00 0.00 176.54 175.28 3hwx n THR 158 N -5.12 0.00 -2.53 4.70 -2.24 -0.69 -4.20 114.28 104.21 3hwx n THR 158 Ca 0.11 -0.16 -0.43 0.00 -2.27 0.00 0.00 64.05 61.30 3hwx n THR 158 Cb 0.36 0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.83 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 -2.22 3.95 0.08 3.22 2.96 -0.96 -4.87 118.68 120.84 3hwx s LEU 159 Ca 0.34 1.21 0.21 0.00 -0.22 0.00 0.00 54.13 55.66 3hwx s LEU 159 Cb 0.20 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 43.21 3hwx s LEU 159 CO 0.41 -0.93 0.77 1.57 -1.32 0.00 0.00 176.35 176.85 3hwx n HIS 160 N 7.11 0.65 -3.63 5.38 -0.00 -1.26 -5.02 115.22 118.45 3hwx n HIS 160 Ca 0.13 0.20 -0.03 0.00 -0.00 0.00 0.00 57.72 58.02 3hwx n HIS 160 Cb 0.47 -0.87 -0.04 0.00 -0.00 0.00 0.00 29.99 29.55 3hwx n HIS 160 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3hwx s ALA 161 N -3.24 -2.10 0.00 1.57 0.00 -1.26 -5.04 121.76 111.69 3hwx s ALA 161 Ca -0.04 1.83 0.00 0.00 0.00 0.00 0.00 51.96 53.76 3hwx s ALA 161 Cb 0.10 -1.24 0.00 0.00 0.00 0.00 0.00 23.12 21.98 3hwx s ALA 161 CO 0.83 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3hwx n GLY 162 N 0.47 -1.65 3.80 0.00 0.00 0.82 -4.68 105.19 103.95 3hwx n GLY 162 Ca -0.01 -1.33 -0.26 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.67 1.72 -0.04 -0.02 0.00 -1.26 -3.70 107.32 103.36 3hwx s GLY 163 Ca 0.00 -1.21 0.05 0.00 0.00 0.00 0.00 44.72 43.56 3hwx s GLY 163 CO 0.00 -1.22 -0.19 0.14 0.00 0.00 0.00 173.10 171.84 3hwx s VAL 164 N -1.74 1.52 -0.21 1.40 1.01 -0.70 0.13 120.40 121.81 3hwx s VAL 164 Ca 0.31 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3hwx s VAL 164 Cb -0.10 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.00 3hwx s VAL 164 CO 0.23 0.43 -0.10 -2.28 0.00 0.00 0.00 175.10 173.38 3hwx s HIS 165 N -0.11 2.92 -0.42 5.22 5.65 -1.03 -0.88 115.29 126.63 3hwx s HIS 165 Ca -0.01 -1.33 -0.06 0.00 0.25 0.00 0.00 55.06 53.91 3hwx s HIS 165 Cb -0.11 -2.03 0.10 0.00 -1.18 0.00 0.00 32.58 29.37 3hwx s HIS 165 CO 0.02 -0.68 0.24 0.42 -0.65 0.00 0.00 174.74 174.08 3hwx s ILE 166 N 1.38 3.69 0.12 0.89 1.01 0.07 0.97 121.20 129.32 3hwx s ILE 166 Ca 0.04 -1.80 -0.31 0.00 0.00 0.00 0.00 60.65 58.59 3hwx s ILE 166 Cb -0.14 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 38.84 3hwx s ILE 166 CO -0.07 -0.63 1.30 0.21 0.00 0.00 0.00 174.94 175.75 3hwx s ASN 167 N 2.06 6.95 -0.54 3.58 2.47 0.55 -2.26 114.94 127.75 3hwx s ASN 167 Ca 0.05 2.23 0.07 0.00 0.42 0.00 0.00 52.86 55.63 3hwx s ASN 167 Cb -0.23 -2.59 0.31 0.00 -1.45 0.00 0.00 41.25 37.29 3hwx s ASN 167 CO -0.02 -0.54 0.82 0.00 -3.72 0.00 0.00 177.10 173.63 3hwx n PRO 169 N 0.29 2.35 -4.69 0.00 -0.02 -1.26 -3.52 135.00 128.14 3hwx n PRO 169 Ca 0.29 0.84 -0.24 0.00 -2.02 0.00 0.00 63.50 62.36 3hwx n PRO 169 Cb 0.46 -2.59 -0.16 0.00 -0.02 0.00 0.00 33.50 31.19 3hwx n PRO 169 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3hwx s PHE 170 N 0.37 1.48 -0.04 6.00 0.08 -0.72 -4.45 117.98 120.70 3hwx s PHE 170 Ca 0.71 -0.42 -0.18 0.00 0.12 0.00 0.00 56.93 57.16 3hwx s PHE 170 Cb -0.59 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 40.79 3hwx s PHE 170 CO 0.44 -0.15 0.50 0.00 -0.10 0.00 0.00 175.22 175.90 3hwx s ALA 171 N 0.12 3.55 0.67 5.36 0.00 -1.26 -3.62 121.76 126.58 3hwx s ALA 171 Ca -0.04 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.63 3hwx s ALA 171 Cb -0.11 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3hwx s ALA 171 CO 0.02 0.21 1.24 -1.21 0.00 0.00 0.00 175.76 176.02 3hwx s GLU 172 N -0.22 2.50 0.01 0.00 2.02 -1.26 -4.35 118.70 117.40 3hwx s GLU 172 Ca 0.27 1.90 -0.30 0.00 0.02 0.00 0.00 54.97 56.85 3hwx s GLU 172 Cb -0.17 -1.86 -0.05 0.00 0.10 0.00 0.00 34.13 32.15 3hwx s GLU 172 CO 0.14 -1.60 1.34 -1.25 0.02 0.00 0.00 175.26 173.91 3hwx s PRO 173 N -3.56 4.32 0.01 0.39 0.04 -1.26 -4.99 135.00 129.94 3hwx s PRO 173 Ca 0.78 1.90 0.23 0.00 0.04 0.00 0.00 61.00 63.95 3hwx s PRO 173 Cb -0.33 -3.50 0.03 0.00 0.04 0.00 0.00 34.50 30.74 3hwx s PRO 173 CO 0.40 -0.49 1.06 1.28 0.04 0.00 0.00 177.00 179.28 3hwx n LEU 174 N 4.96 0.75 -4.04 -3.56 4.77 -1.26 -2.96 117.00 115.66 3hwx n LEU 174 Ca 0.12 -0.26 -0.24 0.00 -0.03 0.00 0.00 56.01 55.60 3hwx n LEU 174 Cb 0.44 -0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.28 3hwx n LEU 174 CO 0.58 0.17 -0.47 -0.31 -1.33 0.00 0.00 177.39 176.03 3hwx s TYR 175 N -3.05 1.40 0.00 -1.77 2.02 -1.26 -4.79 117.35 109.89 3hwx s TYR 175 Ca 0.08 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 3hwx s TYR 175 Cb 0.16 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.72 3hwx s TYR 175 CO 0.81 -0.22 0.00 0.41 -1.57 0.00 0.00 175.55 174.98 3hwx n GLY 176 N 3.59 1.22 3.56 0.71 0.00 -1.26 -4.92 105.19 108.09 3hwx n GLY 176 Ca -0.21 -0.41 -0.55 0.00 0.00 0.00 0.00 46.02 44.85 3hwx n GLY 176 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hwx n GLU 177 N -0.14 0.70 -2.36 1.61 2.13 -1.26 -4.76 120.64 116.57 3hwx n GLU 177 Ca 0.00 0.25 -0.36 0.00 0.66 0.00 0.00 57.16 57.71 3hwx n GLU 177 Cb 0.00 -1.84 -0.03 0.00 0.27 0.00 0.00 31.44 29.84 3hwx n GLU 177 CO 0.00 0.00 0.00 1.41 -0.41 0.00 0.00 177.13 178.13 3hwx s MET 178 N 0.32 3.29 0.36 5.31 -2.45 -1.26 -4.67 119.30 120.20 3hwx s MET 178 Ca 0.87 -1.33 -0.05 0.00 -1.25 0.00 0.00 55.69 53.93 3hwx s MET 178 Cb -1.08 -5.35 0.08 0.00 1.25 0.00 0.00 34.83 29.73 3hwx s MET 178 CO 0.51 -2.87 0.17 -3.47 1.05 0.00 0.00 175.02 170.41 3hwx n ASP 179 N 10.92 -1.90 -2.12 1.11 -0.08 -1.26 -5.02 116.55 118.20 3hwx n ASP 179 Ca 0.43 -0.17 -0.20 0.00 -1.51 0.00 0.00 54.79 53.34 3hwx n ASP 179 Cb 0.47 -0.26 0.03 0.00 2.34 0.00 0.00 41.12 43.70 3hwx n ASP 179 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3hwx n ASP 180 N -2.00 4.38 -0.14 1.67 5.68 -1.26 -4.94 116.55 119.95 3hwx n ASP 180 Ca 0.03 -3.49 -0.10 0.00 -0.50 0.00 0.00 54.79 50.72 3hwx n ASP 180 Cb 0.12 -0.36 -0.01 0.00 -1.14 0.00 0.00 41.12 39.72 3hwx n ASP 180 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 3hwx h THR 181 N 2.68 1.26 -0.46 2.12 2.02 -1.88 -2.94 112.91 115.71 3hwx h THR 181 Ca 0.29 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.45 3hwx h THR 181 Cb 1.49 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 69.03 3hwx h THR 181 CO 0.66 0.34 0.00 0.61 0.37 0.00 0.00 175.52 177.51 3hwx n GLY 182 N -0.36 1.26 0.26 2.16 0.00 -1.26 -4.65 105.19 102.60 3hwx n GLY 182 Ca -0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 2.71 0.83 -0.38 0.99 5.85 -1.88 -0.62 115.31 122.80 3hwx h LEU 183 Ca 0.00 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.20 3hwx h LEU 183 Cb 0.68 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hwx h LEU 183 CO 0.02 1.09 -0.81 0.77 -0.34 0.00 0.00 178.44 179.17 3hwx h SER 184 N 0.66 0.02 0.29 1.25 4.64 -1.82 -2.55 113.55 116.03 3hwx h SER 184 Ca 0.07 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3hwx h SER 184 Cb 0.88 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.94 3hwx h SER 184 CO 0.08 0.82 -0.29 -0.25 -0.87 0.00 0.00 176.83 176.32 3hwx h TRP 185 N 0.01 -0.77 -0.71 4.77 7.01 -1.79 -2.26 115.95 122.21 3hwx h TRP 185 Ca -0.01 0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.08 3hwx h TRP 185 Cb 1.43 0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 28.74 3hwx h TRP 185 CO 0.00 -0.42 0.47 1.96 -2.79 0.00 0.00 178.44 177.67 3hwx h GLN 186 N -0.61 0.63 0.00 2.65 4.20 -1.15 -2.88 115.11 117.96 3hwx h GLN 186 Ca -0.01 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3hwx h GLN 186 Cb 0.56 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.20 3hwx h GLN 186 CO -0.06 0.42 0.00 1.04 -0.67 0.00 0.00 178.83 179.56 3hwx n GLN 187 N -4.49 0.75 0.23 1.46 6.02 -0.90 -2.26 117.38 118.20 3hwx n GLN 187 Ca 0.11 0.01 0.16 0.00 -0.01 0.00 0.00 57.00 57.27 3hwx n GLN 187 Cb 0.30 -1.50 0.71 0.00 1.02 0.00 0.00 30.24 30.77 3hwx n GLN 187 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwx h ARG 188 N 0.00 0.00 -0.26 -1.09 2.47 -1.20 -2.52 114.38 111.78 3hwx h ARG 188 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 3hwx h ARG 188 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.42 3hwx h ARG 188 CO 0.00 0.00 0.00 1.28 0.56 0.00 0.00 179.97 181.81 3hwx n LEU 189 N -2.70 1.43 0.00 3.04 4.77 -0.96 -4.98 117.00 117.60 3hwx n LEU 189 Ca 0.00 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.27 3hwx n LEU 189 Cb 0.20 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3hwx n LEU 189 CO 0.21 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.23 3hwx n GLY 190 N 0.94 1.76 0.00 -0.72 0.00 -0.95 -1.42 105.19 104.80 3hwx n GLY 190 Ca 0.10 -0.38 0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.32 0.00 0.28 1.61 5.68 -1.26 -3.44 116.55 118.11 3hwx n ASP 191 Ca 0.00 -1.80 0.14 0.00 -0.50 0.00 0.00 54.79 52.63 3hwx n ASP 191 Cb 0.00 0.00 0.83 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.00 0.00 0.00 2.11 7.01 -1.64 -1.16 115.95 122.27 3hwx h TRP 192 Ca 0.00 0.00 -0.02 0.00 2.11 0.00 0.00 58.89 60.98 3hwx h TRP 192 Cb 0.00 0.00 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3hwx h TRP 192 CO 0.00 0.06 -0.11 -1.49 -2.79 0.00 0.00 178.44 174.11 3hwx h TRP 193 N 0.00 0.00 -0.53 2.65 4.06 -1.71 -2.87 115.95 117.56 3hwx h TRP 193 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 3hwx h TRP 193 Cb 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.31 3hwx h TRP 193 CO 0.00 0.11 0.00 1.04 -3.56 0.00 0.00 178.44 176.03 3hwx n GLN 194 N -3.73 2.70 -3.77 0.49 3.00 -0.45 -5.00 117.38 110.63 3hwx n GLN 194 Ca -0.02 -2.34 -0.23 0.00 -0.01 0.00 0.00 57.00 54.40 3hwx n GLN 194 Cb 0.22 -1.43 -0.03 0.00 0.00 0.00 0.00 30.24 28.99 3hwx n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hwx s ASP 195 N -1.04 4.79 0.00 1.08 2.15 -1.08 -5.07 116.67 117.50 3hwx s ASP 195 Ca 0.37 -0.95 0.02 0.00 0.43 0.00 0.00 52.55 52.41 3hwx s ASP 195 Cb 0.19 -0.29 0.02 0.00 -0.30 0.00 0.00 42.92 42.54 3hwx s ASP 195 CO 0.26 -0.75 0.58 -0.90 -0.17 0.00 0.00 175.17 174.19 3hwx n ASP 196 N -1.54 1.21 -4.92 -0.34 5.68 -1.26 -5.03 116.55 110.35 3hwx n ASP 196 Ca 0.01 -1.12 -0.27 0.00 -0.50 0.00 0.00 54.79 52.91 3hwx n ASP 196 Cb 0.63 -0.00 -0.03 0.00 -1.14 0.00 0.00 41.12 40.58 3hwx n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 3hwx s LYS 197 N -0.21 3.54 1.02 0.11 -0.14 -1.26 -4.67 119.74 118.13 3hwx s LYS 197 Ca 0.03 -0.28 -0.13 0.00 -1.36 0.00 0.00 55.97 54.22 3hwx s LYS 197 Cb 0.02 -2.80 0.12 0.00 -1.68 0.00 0.00 37.83 33.49 3hwx s LYS 197 CO 0.03 0.36 0.59 -2.30 -0.76 0.00 0.00 175.35 173.27 3hwx n PRO 198 N -0.75 -0.99 0.18 -1.68 -0.01 -1.26 -4.88 135.00 125.61 3hwx n PRO 198 Ca -0.04 -0.25 -0.12 0.00 -0.01 0.00 0.00 63.50 63.08 3hwx n PRO 198 Cb 0.54 -1.99 -0.07 0.00 -0.01 0.00 0.00 33.50 31.97 3hwx n PRO 198 CO 0.00 0.00 0.00 2.35 -0.01 0.00 0.00 175.50 177.84 3hwx h TRP 199 N -1.95 -0.48 -3.46 6.00 2.91 -1.96 -3.42 115.95 113.59 3hwx h TRP 199 Ca -0.49 -0.01 -0.60 0.00 1.13 0.00 0.00 58.89 58.92 3hwx h TRP 199 Cb 1.31 0.16 -0.12 0.00 -0.51 0.00 0.00 29.16 29.99 3hwx h TRP 199 CO 0.34 -0.16 -0.32 -1.17 -1.03 0.00 0.00 178.44 176.10 3hwx s LEU 200 N -9.29 4.16 -0.12 0.65 2.96 -1.26 -5.09 118.68 110.69 3hwx s LEU 200 Ca -0.12 0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 54.07 3hwx s LEU 200 Cb 0.01 -2.35 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 3hwx s LEU 200 CO 0.42 0.01 0.24 -0.13 -1.32 0.00 0.00 176.35 175.56 3hwx s ARG 201 N 1.03 3.91 -0.32 1.98 0.52 -1.26 -4.78 118.95 120.03 3hwx s ARG 201 Ca 0.15 0.03 -0.09 0.00 -0.52 0.00 0.00 55.73 55.30 3hwx s ARG 201 Cb -0.14 -3.31 0.19 0.00 0.52 0.00 0.00 34.95 32.22 3hwx s ARG 201 CO 0.06 0.51 1.08 -2.00 0.02 0.00 0.00 175.30 174.96 3hwx s GLU 202 N -0.33 0.16 -0.42 3.54 2.12 -1.26 -5.07 118.70 117.43 3hwx s GLU 202 Ca 0.16 -0.08 0.10 0.00 0.36 0.00 0.00 54.97 55.50 3hwx s GLU 202 Cb -0.13 0.01 0.32 0.00 0.26 0.00 0.00 34.13 34.59 3hwx s GLU 202 CO 0.05 -0.22 0.71 0.00 -0.54 0.00 0.00 175.26 175.26 3hwx n ALA 203 N 3.40 2.64 -1.77 6.30 0.00 -1.26 -3.21 120.51 126.62 3hwx n ALA 203 Ca 0.07 -3.69 -0.40 0.00 0.00 0.00 0.00 53.44 49.43 3hwx n ALA 203 Cb 0.64 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.21 3hwx n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hwx s PRO 204 N -2.26 4.07 0.15 0.00 0.04 -1.26 -5.00 135.00 130.73 3hwx s PRO 204 Ca 0.40 2.12 -0.17 0.00 0.04 0.00 0.00 61.00 63.39 3hwx s PRO 204 Cb 0.28 -2.82 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 3hwx s PRO 204 CO -0.09 -0.39 0.60 1.03 0.04 0.00 0.00 177.00 178.18 3hwx s ARG 205 N -2.14 4.09 -0.22 4.56 0.52 -1.26 -5.00 118.95 119.51 3hwx s ARG 205 Ca 0.55 0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 56.36 3hwx s ARG 205 Cb -0.37 -2.99 -0.00 0.00 0.52 0.00 0.00 34.95 32.11 3hwx s ARG 205 CO 0.48 0.49 -0.05 -1.17 0.02 0.00 0.00 175.30 175.07 3hwx s LEU 206 N -1.77 2.86 -0.09 2.53 2.96 -1.26 -5.11 118.68 118.80 3hwx s LEU 206 Ca 0.37 -0.44 -0.22 0.00 -0.22 0.00 0.00 54.13 53.62 3hwx s LEU 206 Cb -0.16 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 44.86 3hwx s LEU 206 CO 0.20 -0.03 0.51 -0.70 -1.32 0.00 0.00 176.35 175.01 3hwx s GLU 207 N 1.46 0.79 -0.18 1.98 2.12 -1.26 -4.77 118.70 118.84 3hwx s GLU 207 Ca 0.05 0.28 -0.24 0.00 0.36 0.00 0.00 54.97 55.43 3hwx s GLU 207 Cb -0.14 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.60 3hwx s GLU 207 CO -0.04 -0.20 0.77 -1.12 -0.54 0.00 0.00 175.26 174.13 3hwx s SER 208 N -0.73 6.87 0.76 -1.70 0.01 0.11 -4.95 113.70 114.07 3hwx s SER 208 Ca -0.08 1.07 -0.15 0.00 1.31 0.00 0.00 55.95 58.09 3hwx s SER 208 Cb -0.03 -2.42 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 3hwx s SER 208 CO 0.05 -0.36 0.63 1.21 0.41 0.00 0.00 173.24 175.18 3hwx n GLU 209 N 5.17 0.25 -1.62 12.44 2.13 -1.26 -4.87 120.64 132.88 3hwx n GLU 209 Ca 0.03 0.13 -0.53 0.00 0.66 0.00 0.00 57.16 57.45 3hwx n GLU 209 Cb 0.49 -1.94 -0.06 0.00 0.27 0.00 0.00 31.44 30.20 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 -1.21 1.15 -2.19 5.31 4.81 -1.26 -4.83 118.16 119.93 3hwx n LYS 210 Ca 0.10 0.42 -0.31 0.00 -0.87 0.00 0.00 58.31 57.65 3hwx n LYS 210 Cb 0.50 -2.07 -0.05 0.00 0.02 0.00 0.00 35.03 33.44 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 1.21 2.86 0.00 1.64 -1.52 -1.26 -4.82 119.66 117.77 3hwx s GLN 211 Ca 0.88 -0.93 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 3hwx s GLN 211 Cb -0.98 -5.23 0.00 0.00 -0.22 0.00 0.00 33.01 26.58 3hwx s GLN 211 CO 0.51 -3.29 0.51 0.54 -0.25 0.00 0.00 175.29 173.32 3hwx n ARG 212 N 8.60 0.00 -1.15 2.91 1.74 -1.26 -1.29 116.66 126.21 3hwx n ARG 212 Ca 0.42 0.10 -0.07 0.00 -0.77 0.00 0.00 57.85 57.52 3hwx n ARG 212 Cb 0.47 -1.53 0.14 0.00 -1.02 0.00 0.00 32.46 30.52 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 -1.01 3.13 0.09 0.55 5.75 -1.26 -4.76 116.55 119.04 3hwx n ASP 213 Ca 0.00 -3.83 -0.06 0.00 -0.01 0.00 0.00 54.79 50.88 3hwx n ASP 213 Cb 0.03 -0.49 -0.03 0.00 -1.03 0.00 0.00 41.12 39.60 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 1.45 0.08 -0.11 2.11 2.91 -1.61 -3.16 115.95 117.62 3hwx h TRP 214 Ca 0.18 -0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.12 3hwx h TRP 214 Cb 1.28 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.91 3hwx h TRP 214 CO 0.86 0.92 -0.11 0.74 -1.03 0.00 0.00 178.44 179.82 3hwx h PHE 215 N 0.02 0.17 0.03 2.65 -1.00 -1.85 -1.65 116.94 115.31 3hwx h PHE 215 Ca -0.02 -0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.74 3hwx h PHE 215 Cb 1.57 -0.05 0.00 0.00 3.61 0.00 0.00 35.95 41.08 3hwx h PHE 215 CO 0.01 0.27 -0.01 0.35 -1.61 0.00 0.00 178.31 177.32 3hwx h PHE 216 N 0.16 -0.04 -0.77 -0.55 3.57 -1.93 -3.40 116.94 113.98 3hwx h PHE 216 Ca 0.03 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.48 3hwx h PHE 216 Cb 0.29 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 3hwx h PHE 216 CO 0.00 0.63 0.26 -1.49 -2.23 0.00 0.00 178.31 175.49 3hwx h TRP 217 N -0.78 1.22 0.00 0.41 4.06 -1.44 -2.49 115.95 116.92 3hwx h TRP 217 Ca -0.00 -0.11 0.00 0.00 2.06 0.00 0.00 58.89 60.83 3hwx h TRP 217 Cb 0.69 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.49 3hwx h TRP 217 CO 0.17 0.94 0.00 2.89 -3.56 0.00 0.00 178.44 178.88 3hwx n ARG 218 N -4.26 0.02 -0.03 0.49 1.85 -0.65 -1.09 116.66 113.00 3hwx n ARG 218 Ca 0.07 0.22 0.05 0.00 -1.00 0.00 0.00 57.85 57.18 3hwx n ARG 218 Cb 0.22 -1.50 -0.14 0.00 -1.05 0.00 0.00 32.46 29.98 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 -1.22 0.70 -0.63 2.89 6.02 -0.94 -4.87 117.38 119.33 3hwx n GLN 219 Ca 0.01 -0.13 -0.25 0.00 -0.01 0.00 0.00 57.00 56.62 3hwx n GLN 219 Cb 0.01 -1.44 0.22 0.00 1.02 0.00 0.00 30.24 30.04 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 -2.26 -3.28 -2.97 -1.09 4.76 -0.25 -4.94 118.16 108.13 3hwx n LYS 220 Ca -0.09 -1.35 -0.43 0.00 -2.87 0.00 0.00 58.31 53.57 3hwx n LYS 220 Cb 0.62 -1.40 -0.05 0.00 -1.84 0.00 0.00 35.03 32.35 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 -4.91 3.42 0.38 1.97 0.52 -1.26 -4.98 118.95 114.10 3hwx s ARG 221 Ca 0.57 -0.09 0.08 0.00 -0.52 0.00 0.00 55.73 55.76 3hwx s ARG 221 Cb -0.07 -3.93 -0.05 0.00 0.52 0.00 0.00 34.95 31.43 3hwx s ARG 221 CO 0.45 -1.09 0.18 0.20 0.02 0.00 0.00 175.30 175.05 3hwx s GLY 222 N 2.11 2.16 -0.04 -3.53 0.00 -1.26 -0.23 107.32 106.54 3hwx s GLY 222 Ca 0.30 -1.98 0.03 0.00 0.00 0.00 0.00 44.72 43.06 3hwx s GLY 222 CO 0.22 -1.83 -0.10 0.14 0.00 0.00 0.00 173.10 171.52 3hwx s VAL 223 N -2.52 0.91 -0.21 1.40 1.01 -0.89 -3.99 120.40 116.12 3hwx s VAL 223 Ca 0.40 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.91 3hwx s VAL 223 Cb 0.01 -0.82 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3hwx s VAL 223 CO 0.23 0.29 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 3hwx s VAL 224 N 0.32 4.25 -0.12 2.92 1.01 0.14 -1.83 120.40 127.10 3hwx s VAL 224 Ca -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 61.98 61.71 3hwx s VAL 224 Cb -0.11 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.31 3hwx s VAL 224 CO 0.01 0.41 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 3hwx s VAL 225 N 1.00 3.30 -0.20 2.92 1.01 -1.11 0.12 120.40 127.44 3hwx s VAL 225 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3hwx s VAL 225 Cb -0.14 -2.38 0.05 0.00 0.00 0.00 0.00 36.38 33.90 3hwx s VAL 225 CO 0.02 0.54 -0.08 0.00 0.00 0.00 0.00 175.10 175.58 3hwx s ALA 226 N 0.06 1.85 0.11 5.51 0.00 0.55 -1.27 121.76 128.57 3hwx s ALA 226 Ca -0.04 -1.14 0.00 0.00 0.00 0.00 0.00 51.96 50.79 3hwx s ALA 226 Cb -0.14 -1.27 0.00 0.00 0.00 0.00 0.00 23.12 21.71 3hwx s ALA 226 CO 0.04 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.32 3hwx n GLY 227 N 4.73 1.74 3.76 0.00 0.00 -0.06 -0.07 105.19 115.29 3hwx n GLY 227 Ca -0.13 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 3.63 4.12 0.20 1.61 3.52 -0.60 -2.83 118.95 128.60 3hwx s ARG 228 Ca 0.00 2.57 -0.22 0.00 -0.13 0.00 0.00 55.73 57.95 3hwx s ARG 228 Cb 0.00 -3.00 0.07 0.00 -1.56 0.00 0.00 34.95 30.46 3hwx s ARG 228 CO 0.00 -0.59 0.98 0.00 -0.81 0.00 0.00 175.30 174.88 3hwx s MET 229 N -1.09 1.41 1.28 5.12 0.23 -1.07 -3.43 119.30 121.75 3hwx s MET 229 Ca 0.59 -0.88 -0.20 0.00 -1.03 0.00 0.00 55.69 54.18 3hwx s MET 229 Cb -0.47 0.42 0.31 0.00 -1.53 0.00 0.00 34.83 33.56 3hwx s MET 229 CO 0.54 -0.66 1.03 -1.54 -2.03 0.00 0.00 175.02 172.36 3hwx s SER 230 N -3.22 0.20 -0.05 -1.18 1.04 -1.26 -4.84 113.70 104.39 3hwx s SER 230 Ca 0.18 0.79 -0.24 0.00 0.48 0.00 0.00 55.95 57.17 3hwx s SER 230 Cb -0.03 -1.13 -0.19 0.00 0.10 0.00 0.00 66.02 64.78 3hwx s SER 230 CO 0.05 -4.59 0.98 0.00 0.98 0.00 0.00 173.24 170.67 3hwx h ALA 231 N -2.89 -0.12 -0.17 5.32 0.00 -1.90 -3.12 119.26 116.38 3hwx h ALA 231 Ca -0.46 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 3hwx h ALA 231 Cb 1.32 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 3hwx h ALA 231 CO 0.34 -0.24 -0.03 0.93 0.00 0.00 0.00 179.25 180.24 3hwx h GLU 232 N -0.76 0.25 -0.32 0.00 3.07 -1.93 0.28 114.58 115.18 3hwx h GLU 232 Ca -0.01 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3hwx h GLU 232 Cb 0.58 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3hwx h GLU 232 CO 0.02 0.31 0.06 0.93 -1.40 0.00 0.00 179.01 178.93 3hwx h GLU 233 N 0.25 0.46 -0.04 2.33 5.08 -1.92 -3.07 114.58 117.67 3hwx h GLU 233 Ca 0.06 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3hwx h GLU 233 Cb 0.23 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3hwx h GLU 233 CO 0.01 0.44 0.00 0.78 -1.00 0.00 0.00 179.01 179.25 3hwx h GLY 234 N 0.70 0.07 -0.14 -3.84 0.00 -0.36 -2.33 103.07 97.17 3hwx h GLY 234 Ca 0.11 -0.05 0.08 0.00 0.00 0.00 0.00 47.33 47.47 3hwx h GLY 234 CO -0.00 0.04 -0.32 0.50 0.00 0.00 0.00 176.54 176.76 3hwx h LYS 235 N -0.20 -0.25 -0.74 4.80 1.57 -1.53 0.52 116.57 120.75 3hwx h LYS 235 Ca 0.01 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 3hwx h LYS 235 Cb 0.28 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.59 3hwx h LYS 235 CO 0.00 -0.17 0.42 0.87 -0.57 0.00 0.00 179.45 180.01 3hwx h LYS 236 N -0.26 0.75 -0.16 3.15 1.57 -1.43 0.17 116.57 120.36 3hwx h LYS 236 Ca 0.17 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3hwx h LYS 236 Cb 0.54 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.67 3hwx h LYS 236 CO -0.52 0.50 -0.04 0.28 -0.57 0.00 0.00 179.45 179.09 3hwx h VAL 237 N 0.77 1.29 -0.95 0.50 2.07 -1.21 0.06 116.25 118.79 3hwx h VAL 237 Ca 0.33 -1.02 0.20 0.00 0.82 0.00 0.00 66.70 67.03 3hwx h VAL 237 Cb 0.20 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 31.54 3hwx h VAL 237 CO -0.19 0.30 0.61 0.00 0.02 0.00 0.00 177.57 178.31 3hwx h ALA 238 N 0.71 2.02 -0.02 1.67 0.00 0.10 0.37 119.26 124.11 3hwx h ALA 238 Ca 0.04 0.04 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 3hwx h ALA 238 Cb 0.48 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.24 3hwx h ALA 238 CO 0.02 -0.34 -0.70 -0.07 0.00 0.00 0.00 179.25 178.15 3hwx h LEU 239 N 0.54 0.65 -0.98 0.00 3.38 -0.32 -3.16 115.31 115.43 3hwx h LEU 239 Ca 0.52 -0.73 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 3hwx h LEU 239 Cb 1.09 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3hwx h LEU 239 CO -0.25 1.30 -0.29 -0.25 0.09 0.00 0.00 178.44 179.04 3hwx h TRP 240 N 0.07 0.44 -0.04 1.13 7.01 0.56 -2.17 115.95 122.95 3hwx h TRP 240 Ca -0.08 -0.10 -0.19 0.00 2.11 0.00 0.00 58.89 60.63 3hwx h TRP 240 Cb 1.39 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 28.34 3hwx h TRP 240 CO 0.13 0.65 -0.78 0.00 -2.79 0.00 0.00 178.44 175.64 3hwx h ALA 241 N 1.35 0.57 -0.28 2.65 0.00 -0.44 -2.98 119.26 120.13 3hwx h ALA 241 Ca 0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.22 3hwx h ALA 241 Cb 0.69 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3hwx h ALA 241 CO 0.05 0.81 -0.17 0.37 0.00 0.00 0.00 179.25 180.31 3hwx h GLN 242 N 0.21 0.62 -0.47 0.00 4.15 -1.46 -2.40 115.11 115.76 3hwx h GLN 242 Ca -0.04 -0.28 0.02 0.00 0.77 0.00 0.00 58.65 59.12 3hwx h GLN 242 Cb 1.37 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 29.02 3hwx h GLN 242 CO 0.13 0.87 0.27 1.15 -1.93 0.00 0.00 178.83 179.32 3hwx h THR 243 N 0.36 1.04 0.00 2.39 2.02 -1.38 -1.56 112.91 115.77 3hwx h THR 243 Ca 0.06 -0.19 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3hwx h THR 243 Cb 0.70 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3hwx h THR 243 CO 0.05 0.10 -0.00 -0.07 0.37 0.00 0.00 175.52 175.97 3hwx h LEU 244 N 0.54 0.00 1.33 2.58 3.38 -1.45 -2.40 115.31 119.30 3hwx h LEU 244 Ca 0.19 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.81 3hwx h LEU 244 Cb 0.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.81 3hwx h LEU 244 CO -0.09 0.00 -0.49 0.61 0.09 0.00 0.00 178.44 178.56 3hwx n GLY 245 N -0.33 -0.34 3.89 0.83 0.00 -0.59 -4.46 105.19 104.19 3hwx n GLY 245 Ca -0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.01 3.47 0.40 1.61 0.52 -0.94 -3.35 118.94 117.64 3hwx s TRP 246 Ca 0.17 0.68 -0.23 0.00 0.02 0.00 0.00 56.10 56.73 3hwx s TRP 246 Cb -0.08 -2.10 -0.09 0.00 -1.15 0.00 0.00 33.47 30.05 3hwx s TRP 246 CO 0.21 0.39 1.03 -1.25 0.02 0.00 0.00 176.95 177.34 3hwx s PRO 247 N -2.65 4.17 -0.29 4.98 0.04 -1.26 -4.58 135.00 135.41 3hwx s PRO 247 Ca 0.43 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 62.83 3hwx s PRO 247 Cb -0.12 -2.48 -0.00 0.00 0.04 0.00 0.00 34.50 31.94 3hwx s PRO 247 CO 0.23 -0.12 0.08 -1.17 0.04 0.00 0.00 177.00 176.07 3hwx s LEU 248 N -2.73 3.78 -0.45 -3.56 2.96 -1.26 0.24 118.68 117.66 3hwx s LEU 248 Ca 0.58 -0.58 -0.20 0.00 -0.22 0.00 0.00 54.13 53.71 3hwx s LEU 248 Cb -0.20 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.62 3hwx s LEU 248 CO 0.25 -0.16 0.61 -0.63 -1.32 0.00 0.00 176.35 175.10 3hwx s ILE 249 N 1.54 4.87 -0.10 6.68 1.01 0.32 -4.16 121.20 131.36 3hwx s ILE 249 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.63 3hwx s ILE 249 Cb -0.17 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 3hwx s ILE 249 CO 0.03 -0.60 -0.09 -0.83 0.00 0.00 0.00 174.94 173.44 3hwx s GLY 250 N 2.08 1.64 0.66 6.18 0.00 -1.26 -0.33 107.32 116.28 3hwx s GLY 250 Ca 0.20 -0.89 -0.10 0.00 0.00 0.00 0.00 44.72 43.93 3hwx s GLY 250 CO 0.17 -0.45 1.04 -0.35 0.00 0.00 0.00 173.10 173.51 3hwx s ASP 251 N -0.28 5.64 0.60 1.64 2.15 0.90 -4.89 116.67 122.43 3hwx s ASP 251 Ca 0.03 1.10 0.29 0.00 0.43 0.00 0.00 52.55 54.40 3hwx s ASP 251 Cb -0.13 -2.00 1.48 0.00 -0.30 0.00 0.00 42.92 41.98 3hwx s ASP 251 CO 0.03 -1.18 1.89 -0.37 -0.17 0.00 0.00 175.17 175.37 3hwx h VAL 252 N -0.47 0.31 -0.42 1.11 -1.51 -1.89 -0.87 116.25 112.51 3hwx h VAL 252 Ca -0.45 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.02 3hwx h VAL 252 Cb 1.24 0.61 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 3hwx h VAL 252 CO 0.63 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 177.15 3hwx n LEU 253 N -3.60 4.38 -0.05 4.19 4.32 -1.26 -4.35 117.00 120.63 3hwx n LEU 253 Ca 0.07 -2.22 -0.01 0.00 -0.02 0.00 0.00 56.01 53.83 3hwx n LEU 253 Cb 0.64 -0.62 -0.13 0.00 -1.62 0.00 0.00 43.42 41.69 3hwx n LEU 253 CO 0.26 0.53 -0.87 -1.54 -1.22 0.00 0.00 177.39 174.54 3hwx n SER 254 N 0.48 1.18 -1.69 -1.43 3.41 -0.33 -2.61 113.62 112.63 3hwx n SER 254 Ca 0.20 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.66 3hwx n SER 254 Cb 0.92 1.26 -0.01 0.00 -0.26 0.00 0.00 64.21 66.11 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 -2.36 -1.20 0.02 4.33 6.02 -1.26 -3.75 117.38 119.17 3hwx n GLN 255 Ca -0.16 0.77 0.12 0.00 -0.01 0.00 0.00 57.00 57.72 3hwx n GLN 255 Cb 0.76 -5.10 0.32 0.00 1.02 0.00 0.00 30.24 27.24 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 -3.88 0.12 -0.85 5.09 -2.24 -1.26 -1.11 114.28 110.15 3hwx n THR 256 Ca -0.18 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3hwx n THR 256 Cb 0.63 -0.05 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 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 1.45 0.79 3.55 3.38 0.00 -1.14 -4.57 105.19 108.65 3hwx n GLY 257 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.33 -1.87 0.15 1.61 6.02 -1.26 -4.76 117.38 114.94 3hwx n GLN 258 Ca 0.00 1.31 0.13 0.00 -0.01 0.00 0.00 57.00 58.43 3hwx n GLN 258 Cb 0.00 -2.02 0.39 0.00 1.02 0.00 0.00 30.24 29.64 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 1.74 0.00 -2.14 -1.09 0.13 -1.84 -3.27 132.00 125.53 3hwx h PRO 259 Ca -0.59 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 63.91 3hwx h PRO 259 Cb 1.41 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 32.15 3hwx h PRO 259 CO 0.25 0.00 -0.35 1.28 -0.23 0.00 0.00 178.00 178.95 3hwx n LEU 260 N -2.49 5.07 -4.50 1.56 4.77 -1.26 -5.01 117.00 115.13 3hwx n LEU 260 Ca 0.04 -5.53 -0.29 0.00 -0.03 0.00 0.00 56.01 50.20 3hwx n LEU 260 Cb 0.41 -0.65 0.25 0.00 -2.33 0.00 0.00 43.42 41.09 3hwx n LEU 260 CO 0.29 2.27 0.53 -2.16 -1.33 0.00 0.00 177.39 176.99 3hwx s PRO 261 N -3.64 -0.79 -1.75 3.23 0.04 -1.24 -3.79 135.00 127.06 3hwx s PRO 261 Ca 0.47 0.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 3hwx s PRO 261 Cb 0.29 -1.56 0.00 0.00 0.04 0.00 0.00 34.50 33.27 3hwx s PRO 261 CO -0.16 -3.67 0.12 0.00 0.04 0.00 0.00 177.00 173.33 3hwx h ALA 263 N 1.00 2.87 0.00 0.00 0.00 -1.81 0.72 119.26 122.03 3hwx h ALA 263 Ca -0.50 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.26 3hwx h ALA 263 Cb 1.37 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 3hwx h ALA 263 CO 0.58 -1.23 -0.55 0.22 0.00 0.00 0.00 179.25 178.27 3hwx h ASP 264 N 0.00 0.00 0.09 0.00 3.58 -1.85 -0.91 116.42 117.33 3hwx h ASP 264 Ca 0.45 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 57.69 3hwx h ASP 264 Cb 1.92 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.97 3hwx h ASP 264 CO -0.00 0.55 -1.08 -0.07 -2.88 0.00 0.00 179.24 175.76 3hwx h LEU 265 N 0.00 0.29 -0.11 2.28 3.38 0.01 -3.40 115.31 117.76 3hwx h LEU 265 Ca -0.01 -0.84 -0.11 0.00 0.09 0.00 0.00 57.88 57.01 3hwx h LEU 265 Cb 1.19 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.83 3hwx h LEU 265 CO 0.07 1.47 -0.54 4.11 0.09 0.00 0.00 178.44 183.64 3hwx h TRP 266 N -0.52 0.00 0.00 1.13 5.08 -0.72 -2.84 115.95 118.08 3hwx h TRP 266 Ca -0.24 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.73 3hwx h TRP 266 Cb 1.56 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.72 3hwx h TRP 266 CO 0.16 0.54 0.00 1.28 -1.28 0.00 0.00 178.44 179.14 3hwx n LEU 267 N -3.27 0.49 -0.26 0.11 4.77 -0.35 -1.86 117.00 116.63 3hwx n LEU 267 Ca 0.02 0.70 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 3hwx n LEU 267 Cb 0.73 -0.72 0.63 0.00 -2.33 0.00 0.00 43.42 41.73 3hwx n LEU 267 CO 0.41 -0.77 0.92 0.61 -1.33 0.00 0.00 177.39 177.22 3hwx n GLY 268 N -0.95 -0.43 3.38 -0.72 0.00 -1.07 -4.68 105.19 100.72 3hwx n GLY 268 Ca -0.00 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.83 4.84 0.41 1.61 3.84 -0.78 -4.65 114.94 118.37 3hwx s ASN 269 Ca 0.38 -0.35 0.21 0.00 0.21 0.00 0.00 52.86 53.30 3hwx s ASN 269 Cb 0.19 -1.85 1.16 0.00 -0.55 0.00 0.00 41.25 40.20 3hwx s ASN 269 CO 0.31 -0.05 1.75 0.00 -2.79 0.00 0.00 177.10 176.32 3hwx h ALA 270 N 8.19 2.32 -0.86 1.71 0.00 -1.87 0.12 119.26 128.88 3hwx h ALA 270 Ca -0.38 0.07 0.15 0.00 0.00 0.00 0.00 54.91 54.74 3hwx h ALA 270 Cb 1.16 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 3hwx h ALA 270 CO 0.59 -0.76 0.56 0.87 0.00 0.00 0.00 179.25 180.51 3hwx h LYS 271 N 0.34 0.60 -0.02 0.00 1.57 -1.94 -0.86 116.57 116.26 3hwx h LYS 271 Ca 0.62 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.35 3hwx h LYS 271 Cb 1.67 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.85 3hwx h LYS 271 CO -0.31 0.39 -0.06 0.00 -0.57 0.00 0.00 179.45 178.91 3hwx h ALA 272 N 1.61 0.03 0.00 3.86 0.00 -1.03 -2.92 119.26 120.81 3hwx h ALA 272 Ca 0.43 -0.34 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hwx h ALA 272 Cb 0.76 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3hwx h ALA 272 CO -0.18 -0.11 -0.42 1.79 0.00 0.00 0.00 179.25 180.33 3hwx h THR 273 N -0.55 1.22 -0.42 0.00 1.35 -1.48 0.43 112.91 113.45 3hwx h THR 273 Ca -0.00 -1.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.38 3hwx h THR 273 Cb 0.70 1.81 -0.02 0.00 -1.73 0.00 0.00 68.15 68.91 3hwx h THR 273 CO 0.01 0.41 0.21 0.28 -0.25 0.00 0.00 175.52 176.18 3hwx h SER 274 N 0.00 0.55 -0.50 5.36 0.02 -1.26 0.28 113.55 118.00 3hwx h SER 274 Ca -0.00 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 3hwx h SER 274 Cb 0.78 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.16 3hwx h SER 274 CO 0.05 0.51 0.05 -0.08 -1.14 0.00 0.00 176.83 176.22 3hwx h GLU 275 N 0.54 0.84 0.00 3.45 4.81 -1.23 -2.51 114.58 120.48 3hwx h GLU 275 Ca 0.15 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3hwx h GLU 275 Cb 0.10 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3hwx h GLU 275 CO -0.02 0.86 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.84 3hwx h LEU 276 N 0.71 0.00 0.00 1.64 3.38 -0.57 -2.80 115.31 117.68 3hwx h LEU 276 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 3hwx h LEU 276 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3hwx h LEU 276 CO 0.02 0.21 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3hwx n GLN 277 N -4.02 0.00 -0.04 1.13 6.02 0.96 -1.69 117.38 119.75 3hwx n GLN 277 Ca -0.02 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.99 3hwx n GLN 277 Cb 0.28 -1.48 -0.13 0.00 1.02 0.00 0.00 30.24 29.93 3hwx n GLN 277 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3hwx n GLN 278 N -0.92 0.86 -1.53 -1.09 6.02 -1.06 -4.96 117.38 114.70 3hwx n GLN 278 Ca 0.00 -0.10 -0.55 0.00 -0.01 0.00 0.00 57.00 56.34 3hwx n GLN 278 Cb 0.00 -1.42 -0.08 0.00 1.02 0.00 0.00 30.24 29.76 3hwx n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hwx n ALA 279 N -2.32 0.41 0.13 -1.58 0.00 -0.68 -4.81 120.51 111.66 3hwx n ALA 279 Ca -0.13 0.17 0.01 0.00 0.00 0.00 0.00 53.44 53.49 3hwx n ALA 279 Cb 0.70 -2.34 0.05 0.00 0.00 0.00 0.00 19.45 17.86 3hwx n ALA 279 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hwx h GLN 280 N 9.65 0.00 -3.43 0.00 4.20 -0.95 -3.40 115.11 121.19 3hwx h GLN 280 Ca -0.33 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.18 3hwx h GLN 280 Cb 1.34 0.00 -0.27 0.00 0.30 0.00 0.00 27.48 28.84 3hwx h GLN 280 CO 1.01 0.57 -0.59 -1.50 -0.67 0.00 0.00 178.83 177.65 3hwx s ILE 281 N -3.02 -0.01 -0.18 2.54 2.07 -1.14 -1.52 121.20 119.95 3hwx s ILE 281 Ca 0.03 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.30 3hwx s ILE 281 Cb 0.08 -0.18 0.03 0.00 0.13 0.00 0.00 42.46 42.52 3hwx s ILE 281 CO 0.75 0.01 -0.18 -0.69 -1.91 0.00 0.00 174.94 172.92 3hwx s VAL 282 N 0.18 1.96 -0.39 4.00 1.01 -0.49 -2.09 120.40 124.59 3hwx s VAL 282 Ca -0.01 -0.96 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 3hwx s VAL 282 Cb -0.02 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.59 3hwx s VAL 282 CO -0.00 0.45 0.20 -0.69 0.00 0.00 0.00 175.10 175.06 3hwx s VAL 283 N 1.31 4.11 -0.18 2.92 1.01 -0.76 0.96 120.40 129.77 3hwx s VAL 283 Ca 0.03 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.63 3hwx s VAL 283 Cb -0.14 -3.43 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 3hwx s VAL 283 CO -0.12 -0.37 0.23 -1.58 0.00 0.00 0.00 175.10 173.26 3hwx s GLN 284 N 1.43 4.22 -0.13 2.72 0.74 0.15 -2.73 119.66 126.06 3hwx s GLN 284 Ca 0.02 -0.04 -0.04 0.00 0.05 0.00 0.00 55.36 55.35 3hwx s GLN 284 Cb -0.21 -3.43 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 3hwx s GLN 284 CO 0.03 0.25 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.50 3hwx s LEU 285 N 0.47 3.47 0.00 3.68 1.43 -0.40 -0.55 118.68 126.79 3hwx s LEU 285 Ca 0.13 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3hwx s LEU 285 Cb -0.12 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.27 3hwx s LEU 285 CO 0.02 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3hwx n GLY 286 N 3.00 -0.52 0.00 -3.19 0.00 0.11 -0.88 105.19 103.71 3hwx n GLY 286 Ca -0.18 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -1.77 1.24 -3.82 1.61 3.41 -1.22 -4.58 113.62 108.49 3hwx n SER 287 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 3hwx n SER 287 Cb 0.00 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.00 -3.68 -4.77 4.04 7.64 -1.26 -1.56 113.62 114.04 3hwx n SER 288 Ca 0.00 -0.96 -0.38 0.00 1.01 0.00 0.00 58.87 58.54 3hwx n SER 288 Cb 0.00 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 61.89 3hwx n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hwx s LEU 289 N -5.83 4.00 -0.25 -3.43 1.02 -1.26 -4.56 118.68 108.37 3hwx s LEU 289 Ca 0.21 2.44 -0.02 0.00 0.02 0.00 0.00 54.13 56.78 3hwx s LEU 289 Cb -0.12 -4.21 -0.17 0.00 0.02 0.00 0.00 46.19 41.71 3hwx s LEU 289 CO 0.78 -1.05 -0.20 0.41 0.02 0.00 0.00 176.35 176.31 3hwx n THR 290 N -0.54 1.52 -3.60 5.49 -1.04 -1.26 -4.98 114.28 109.88 3hwx n THR 290 Ca 0.08 -0.53 -0.30 0.00 -2.04 0.00 0.00 64.05 61.25 3hwx n THR 290 Cb 0.47 -1.55 -0.04 0.00 -1.82 0.00 0.00 70.33 67.39 3hwx n THR 290 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3hwx s GLY 291 N -6.22 2.09 0.11 3.41 0.00 -1.26 -4.90 107.32 100.56 3hwx s GLY 291 Ca -0.35 -0.58 -0.21 0.00 0.00 0.00 0.00 44.72 43.58 3hwx s GLY 291 CO 0.59 -0.50 1.73 1.70 0.00 0.00 0.00 173.10 176.63 3hwx h LYS 292 N 2.44 0.07 0.00 2.90 3.64 -1.95 -2.08 116.57 121.60 3hwx h LYS 292 Ca -0.47 -0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 3hwx h LYS 292 Cb 1.17 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.97 3hwx h LYS 292 CO 0.70 0.04 -0.42 0.00 -2.27 0.00 0.00 179.45 177.51 3hwx h ARG 293 N 0.07 0.00 -0.01 1.90 -0.00 -1.92 0.30 114.38 114.71 3hwx h ARG 293 Ca 0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 59.98 59.50 3hwx h ARG 293 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.03 3hwx h ARG 293 CO -0.09 0.42 -0.15 1.25 0.00 0.00 0.00 179.97 181.40 3hwx h LEU 294 N 0.00 0.16 -1.65 3.04 5.85 -1.82 -0.32 115.31 120.57 3hwx h LEU 294 Ca -0.00 -0.73 -0.04 0.00 0.84 0.00 0.00 57.88 57.95 3hwx h LEU 294 Cb 0.94 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 3hwx h LEU 294 CO 0.05 0.86 -0.18 -0.07 -0.34 0.00 0.00 178.44 178.76 3hwx h LEU 295 N -0.53 0.00 -0.20 2.25 3.38 -0.96 0.23 115.31 119.48 3hwx h LEU 295 Ca -0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.78 3hwx h LEU 295 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 3hwx h LEU 295 CO 0.03 0.18 -0.56 1.56 0.09 0.00 0.00 178.44 179.74 3hwx h GLN 296 N 0.00 0.74 -0.73 1.13 4.20 -0.93 -0.15 115.11 119.37 3hwx h GLN 296 Ca -0.00 -0.53 0.05 0.00 0.06 0.00 0.00 58.65 58.23 3hwx h GLN 296 Cb 0.33 0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.14 3hwx h GLN 296 CO 0.02 1.15 0.43 2.35 -0.67 0.00 0.00 178.83 182.11 3hwx h TRP 297 N 0.46 0.80 -0.05 2.96 7.01 0.03 -2.50 115.95 124.66 3hwx h TRP 297 Ca -0.01 0.02 -0.17 0.00 2.11 0.00 0.00 58.89 60.84 3hwx h TRP 297 Cb 1.18 -0.26 -0.01 0.00 -2.10 0.00 0.00 29.16 27.98 3hwx h TRP 297 CO 0.09 0.41 -0.72 0.37 -2.79 0.00 0.00 178.44 175.80 3hwx h GLN 298 N 0.81 0.28 0.00 2.65 -0.00 -0.45 -1.74 115.11 116.67 3hwx h GLN 298 Ca 0.31 -0.23 -0.08 0.00 -0.00 0.00 0.00 58.65 58.66 3hwx h GLN 298 Cb 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.65 3hwx h GLN 298 CO -0.16 0.88 -0.37 0.00 0.00 0.00 0.00 178.83 179.19 3hwx h ALA 299 N 1.05 1.29 0.00 3.38 0.00 -0.87 -3.37 119.26 120.74 3hwx h ALA 299 Ca -0.02 -0.33 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 3hwx h ALA 299 Cb 1.28 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3hwx h ALA 299 CO 0.11 0.46 -2.10 -1.13 0.00 0.00 0.00 179.25 176.59 3hwx n SER 300 N -3.95 0.82 -4.71 0.00 3.41 -0.96 -4.90 113.62 103.33 3hwx n SER 300 Ca -0.02 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.18 3hwx n SER 300 Cb 0.42 1.09 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 3hwx n SER 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx n GLU 302 N 0.33 3.31 -1.20 0.00 1.02 -1.26 -5.02 120.64 117.81 3hwx n GLU 302 Ca 0.05 -4.82 -0.30 0.00 -0.02 0.00 0.00 57.16 52.07 3hwx n GLU 302 Cb 0.38 -2.26 0.12 0.00 -0.02 0.00 0.00 31.44 29.65 3hwx n GLU 302 CO 0.00 0.00 0.00 -2.14 1.18 0.00 0.00 177.13 176.17 3hwx s PRO 303 N -3.36 1.75 0.22 3.49 0.02 -1.26 -4.94 135.00 130.92 3hwx s PRO 303 Ca 0.47 1.05 -0.05 0.00 0.02 0.00 0.00 61.00 62.48 3hwx s PRO 303 Cb 0.25 -1.85 0.20 0.00 0.02 0.00 0.00 34.50 33.12 3hwx s PRO 303 CO -0.11 -1.96 1.69 1.49 -0.33 0.00 0.00 177.00 177.78 3hwx h GLU 304 N -1.36 0.93 -4.39 5.54 4.81 -1.48 -3.44 114.58 115.19 3hwx h GLU 304 Ca -0.46 -0.28 -0.22 0.00 -0.13 0.00 0.00 59.36 58.27 3hwx h GLU 304 Cb 1.26 -0.09 -0.20 0.00 0.63 0.00 0.00 28.75 30.35 3hwx h GLU 304 CO 0.52 0.93 -0.71 -1.21 -0.73 0.00 0.00 179.01 177.81 3hwx s GLU 305 N -4.97 0.52 -0.13 1.92 2.02 -1.17 -4.80 118.70 112.10 3hwx s GLU 305 Ca -0.10 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.03 3hwx s GLU 305 Cb 0.14 -0.12 0.03 0.00 0.10 0.00 0.00 34.13 34.28 3hwx s GLU 305 CO 0.84 -0.00 -0.06 -0.47 0.02 0.00 0.00 175.26 175.58 3hwx s TYR 306 N -2.01 1.51 -0.17 1.61 6.14 -0.58 -1.39 117.35 122.46 3hwx s TYR 306 Ca -0.07 -0.85 -0.06 0.00 0.64 0.00 0.00 57.07 56.73 3hwx s TYR 306 Cb -0.06 -1.24 -0.04 0.00 0.42 0.00 0.00 41.96 41.05 3hwx s TYR 306 CO -0.02 -0.55 0.03 -1.58 0.64 0.00 0.00 175.55 174.08 3hwx s TRP 307 N 1.70 3.19 -0.26 4.97 0.52 0.27 -1.01 118.94 128.33 3hwx s TRP 307 Ca 0.03 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.10 3hwx s TRP 307 Cb -0.14 -2.03 0.01 0.00 -1.15 0.00 0.00 33.47 30.17 3hwx s TRP 307 CO -0.08 0.14 -0.01 0.42 0.02 0.00 0.00 176.95 177.44 3hwx s ILE 308 N 0.26 3.37 -0.27 2.03 1.01 0.55 0.34 121.20 128.49 3hwx s ILE 308 Ca 0.02 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 3hwx s ILE 308 Cb -0.13 -2.67 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 3hwx s ILE 308 CO 0.01 0.22 0.18 -0.69 0.00 0.00 0.00 174.94 174.66 3hwx s VAL 309 N 1.43 5.30 -0.10 2.92 1.01 0.29 -0.37 120.40 130.87 3hwx s VAL 309 Ca 0.03 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 61.90 3hwx s VAL 309 Cb -0.16 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.77 3hwx s VAL 309 CO -0.02 0.27 0.63 -0.62 0.00 0.00 0.00 175.10 175.36 3hwx s ASP 310 N 1.62 -0.61 0.00 3.32 -1.08 -1.01 0.08 116.67 118.99 3hwx s ASP 310 Ca 0.07 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 52.90 3hwx s ASP 310 Cb -0.15 0.73 0.00 0.00 -1.46 0.00 0.00 42.92 42.03 3hwx s ASP 310 CO 0.10 -0.49 0.42 -0.67 0.52 0.00 0.00 175.17 175.05 3hwx n ASP 311 N 1.45 0.57 -4.44 -0.34 2.03 -0.45 -2.70 116.55 112.66 3hwx n ASP 311 Ca -0.18 -1.41 -0.32 0.00 0.52 0.00 0.00 54.79 53.41 3hwx n ASP 311 Cb 0.56 -0.28 -0.13 0.00 -0.72 0.00 0.00 41.12 40.55 3hwx n ASP 311 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3hwx s ILE 312 N -1.19 2.81 0.87 5.18 2.07 -1.26 -4.78 121.20 124.89 3hwx s ILE 312 Ca 0.00 -0.92 -0.11 0.00 -1.41 0.00 0.00 60.65 58.21 3hwx s ILE 312 Cb 0.00 -2.10 0.12 0.00 0.13 0.00 0.00 42.46 40.60 3hwx s ILE 312 CO 0.00 0.52 1.11 -1.61 -1.91 0.00 0.00 174.94 173.05 3hwx s GLU 313 N -0.91 1.42 0.00 3.50 2.02 -1.26 -4.86 118.70 118.62 3hwx s GLU 313 Ca 0.12 1.23 0.00 0.00 0.02 0.00 0.00 54.97 56.34 3hwx s GLU 313 Cb -0.10 -1.80 0.00 0.00 0.10 0.00 0.00 34.13 32.33 3hwx s GLU 313 CO 0.02 -2.25 0.00 0.41 0.02 0.00 0.00 175.26 173.46 3hwx n GLY 314 N -0.54 -0.82 3.74 -1.39 0.00 -1.26 -4.91 105.19 100.02 3hwx n GLY 314 Ca 0.09 -1.64 -0.42 0.00 0.00 0.00 0.00 46.02 44.06 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 -2.64 4.14 0.00 1.61 0.52 -1.26 -4.93 118.95 116.39 3hwx s ARG 315 Ca 0.00 2.55 0.05 0.00 -0.52 0.00 0.00 55.73 57.81 3hwx s ARG 315 Cb 0.00 -3.05 0.07 0.00 0.52 0.00 0.00 34.95 32.48 3hwx s ARG 315 CO 0.00 -0.64 0.77 1.28 0.02 0.00 0.00 175.30 176.73 3hwx n LEU 316 N 2.73 1.67 -4.19 2.53 4.77 -1.26 -4.98 117.00 118.27 3hwx n LEU 316 Ca 0.10 -1.22 -0.39 0.00 -0.03 0.00 0.00 56.01 54.46 3hwx n LEU 316 Cb 0.37 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 3hwx n LEU 316 CO 0.63 0.37 -0.08 -0.62 -1.33 0.00 0.00 177.39 176.36 3hwx s ASP 317 N -0.57 5.55 0.49 -1.43 2.15 -1.26 -4.92 116.67 116.68 3hwx s ASP 317 Ca 0.07 -1.87 0.28 0.00 0.43 0.00 0.00 52.55 51.46 3hwx s ASP 317 Cb 0.05 -1.95 1.20 0.00 -0.30 0.00 0.00 42.92 41.92 3hwx s ASP 317 CO 0.07 -0.62 1.94 1.55 -0.17 0.00 0.00 175.17 177.94 3hwx h PRO 318 N 8.32 0.00 -0.00 4.34 0.13 -1.97 -1.08 132.00 141.74 3hwx h PRO 318 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3hwx h PRO 318 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3hwx h PRO 318 CO 0.79 0.14 -0.32 0.00 -0.23 0.00 0.00 178.00 178.38 3hwx n ALA 319 N -2.20 3.11 -2.98 -0.56 0.00 -1.26 -4.99 120.51 111.64 3hwx n ALA 319 Ca -0.00 -0.26 -0.11 0.00 0.00 0.00 0.00 53.44 53.06 3hwx n ALA 319 Cb 0.35 -1.24 0.04 0.00 0.00 0.00 0.00 19.45 18.59 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 -1.48 -1.35 -1.12 0.00 -0.00 -0.41 -4.99 115.22 105.87 3hwx n HIS 320 Ca 0.06 0.49 -0.32 0.00 -0.00 0.00 0.00 57.72 57.95 3hwx n HIS 320 Cb 0.34 -3.04 0.12 0.00 -0.00 0.00 0.00 29.99 27.40 3hwx n HIS 320 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 3hwx s HIS 321 N -3.16 2.15 0.19 4.41 3.76 -1.26 -5.00 115.29 116.38 3hwx s HIS 321 Ca 0.24 1.65 -0.30 0.00 -0.15 0.00 0.00 55.06 56.50 3hwx s HIS 321 Cb -0.11 -3.23 -0.09 0.00 1.11 0.00 0.00 32.58 30.26 3hwx s HIS 321 CO 0.35 -2.28 1.38 0.50 -0.85 0.00 0.00 174.74 173.84 3hwx s ARG 322 N -4.59 4.33 0.00 1.40 3.52 -1.26 -4.79 118.95 117.55 3hwx s ARG 322 Ca 0.66 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 58.40 3hwx s ARG 322 Cb -0.21 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3hwx s ARG 322 CO 0.54 -0.36 0.00 0.41 -0.81 0.00 0.00 175.30 175.07 3hwx n GLY 323 N 2.69 0.07 3.17 8.12 0.00 -1.26 -1.53 105.19 116.46 3hwx n GLY 323 Ca 0.08 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.66 0.59 -0.23 1.61 0.52 -0.18 -4.89 118.95 114.70 3hwx s ARG 324 Ca 0.00 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 3hwx s ARG 324 Cb 0.00 0.25 0.05 0.00 0.52 0.00 0.00 34.95 35.78 3hwx s ARG 324 CO 0.00 -0.16 -0.08 0.50 0.02 0.00 0.00 175.30 175.59 3hwx s ARG 325 N -1.48 1.87 -0.15 3.54 6.06 -1.26 -0.33 118.95 127.19 3hwx s ARG 325 Ca -0.13 -1.02 0.01 0.00 -2.50 0.00 0.00 55.73 52.08 3hwx s ARG 325 Cb -0.06 -2.60 0.00 0.00 0.06 0.00 0.00 34.95 32.35 3hwx s ARG 325 CO 0.02 -0.54 -0.17 -0.51 -2.50 0.00 0.00 175.30 171.60 3hwx s LEU 326 N 1.33 2.39 -0.16 -0.88 1.43 0.50 -4.99 118.68 118.31 3hwx s LEU 326 Ca -0.05 -0.50 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 3hwx s LEU 326 Cb -0.18 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.46 3hwx s LEU 326 CO -0.06 0.08 0.53 -0.63 0.23 0.00 0.00 176.35 176.49 3hwx s ILE 327 N 0.84 5.13 -0.27 -0.59 1.09 -1.26 -2.41 121.20 123.72 3hwx s ILE 327 Ca -0.05 1.01 -0.34 0.00 -1.10 0.00 0.00 60.65 60.17 3hwx s ILE 327 Cb -0.15 -3.86 0.17 0.00 -1.06 0.00 0.00 42.46 37.56 3hwx s ILE 327 CO -0.01 0.23 1.34 0.00 -0.10 0.00 0.00 174.94 176.41 3hwx s ALA 328 N 1.20 -2.15 0.13 9.38 0.00 -1.10 0.08 121.76 129.30 3hwx s ALA 328 Ca 0.26 1.86 -0.31 0.00 0.00 0.00 0.00 51.96 53.77 3hwx s ALA 328 Cb -0.15 -0.82 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 3hwx s ALA 328 CO 0.10 -0.42 1.51 1.21 0.00 0.00 0.00 175.76 178.16 3hwx s ASN 329 N -1.62 6.68 0.16 0.00 3.84 -1.26 -1.34 114.94 121.40 3hwx s ASN 329 Ca 0.10 2.48 -0.15 0.00 0.21 0.00 0.00 52.86 55.50 3hwx s ASN 329 Cb -0.01 -2.59 0.06 0.00 -0.55 0.00 0.00 41.25 38.16 3hwx s ASN 329 CO -0.05 -0.77 1.79 0.40 -2.79 0.00 0.00 177.10 175.69 3hwx h ILE 330 N 4.22 1.02 0.08 -5.21 2.04 -1.94 0.02 117.51 117.74 3hwx h ILE 330 Ca -0.42 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.30 3hwx h ILE 330 Cb 1.20 0.50 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 3hwx h ILE 330 CO 0.90 0.09 -0.28 0.00 0.00 0.00 0.00 178.15 178.86 3hwx h ALA 331 N 1.20 -0.44 -0.73 1.87 0.00 -1.92 -0.17 119.26 119.07 3hwx h ALA 331 Ca 0.17 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.20 3hwx h ALA 331 Cb 0.04 0.47 -0.10 0.00 0.00 0.00 0.00 17.79 18.19 3hwx h ALA 331 CO -0.09 -0.81 0.24 -0.44 0.00 0.00 0.00 179.25 178.15 3hwx h ASP 332 N -0.47 0.15 -0.44 0.00 5.19 -1.91 -1.73 116.42 117.21 3hwx h ASP 332 Ca 0.04 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.52 3hwx h ASP 332 Cb 0.52 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.14 3hwx h ASP 332 CO -0.19 0.04 0.06 -0.25 -3.12 0.00 0.00 179.24 175.78 3hwx h TRP 333 N 0.36 0.80 -0.90 4.55 7.01 -0.46 -0.22 115.95 127.08 3hwx h TRP 333 Ca 0.40 -0.12 -0.01 0.00 2.11 0.00 0.00 58.89 61.27 3hwx h TRP 333 Cb 0.64 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 3hwx h TRP 333 CO -0.21 0.76 0.51 -0.07 -2.79 0.00 0.00 178.44 176.65 3hwx h LEU 334 N 0.60 1.11 -0.94 0.65 3.38 -0.57 0.74 115.31 120.29 3hwx h LEU 334 Ca 0.13 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hwx h LEU 334 Cb 0.40 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3hwx h LEU 334 CO 0.01 0.88 0.22 -0.33 0.09 0.00 0.00 178.44 179.31 3hwx h GLU 335 N 1.26 0.99 0.00 1.13 5.08 -1.03 -2.75 114.58 119.25 3hwx h GLU 335 Ca 0.32 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.42 3hwx h GLU 335 Cb -0.00 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 3hwx h GLU 335 CO -0.05 0.84 -0.58 1.25 -1.00 0.00 0.00 179.01 179.47 3hwx h LEU 336 N 0.96 0.00 -6.51 1.33 5.85 -0.12 -3.35 115.31 113.47 3hwx h LEU 336 Ca 0.22 0.00 -0.61 0.00 0.84 0.00 0.00 57.88 58.33 3hwx h LEU 336 Cb 0.25 0.00 -0.42 0.00 0.37 0.00 0.00 40.66 40.87 3hwx h LEU 336 CO -0.01 0.30 -0.62 1.41 -0.34 0.00 0.00 178.44 179.18 3hwx n HIS 337 N -3.06 3.23 -1.42 1.25 8.25 0.25 -4.91 115.22 118.81 3hwx n HIS 337 Ca 0.00 -4.17 -0.35 0.00 -0.26 0.00 0.00 57.72 52.94 3hwx n HIS 337 Cb 0.67 -0.55 0.10 0.00 1.12 0.00 0.00 29.99 31.32 3hwx n HIS 337 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 3hwx n PRO 338 N 1.32 0.65 -2.22 -0.41 -0.04 -1.06 -4.74 135.00 128.50 3hwx n PRO 338 Ca 0.26 0.29 -0.32 0.00 -0.04 0.00 0.00 63.50 63.69 3hwx n PRO 338 Cb 0.40 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.36 3hwx n PRO 338 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hwx s ALA 339 N -1.75 2.98 -0.06 0.55 0.00 -1.26 -5.04 121.76 117.18 3hwx s ALA 339 Ca 0.78 0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.98 3hwx s ALA 339 Cb -0.34 -3.14 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 3hwx s ALA 339 CO 0.45 -0.46 -0.21 -2.00 0.00 0.00 0.00 175.76 173.55 3hwx s GLU 340 N -4.24 2.62 0.23 0.00 2.56 -1.26 -4.99 118.70 113.62 3hwx s GLU 340 Ca 0.59 -0.83 -0.31 0.00 0.00 0.00 0.00 54.97 54.42 3hwx s GLU 340 Cb -0.12 -2.27 -0.14 0.00 2.00 0.00 0.00 34.13 33.61 3hwx s GLU 340 CO 0.36 0.43 1.33 1.63 -0.56 0.00 0.00 175.26 178.45 3hwx n LYS 341 N 2.84 1.80 -3.75 4.30 5.02 -1.26 -3.94 118.16 123.16 3hwx n LYS 341 Ca -0.17 0.64 -0.13 0.00 -2.02 0.00 0.00 58.31 56.62 3hwx n LYS 341 Cb 0.52 -2.24 -0.09 0.00 -0.02 0.00 0.00 35.03 33.19 3hwx n LYS 341 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3hwx s ARG 342 N -0.48 0.60 0.19 1.97 3.52 -0.90 -4.98 118.95 118.87 3hwx s ARG 342 Ca 0.69 0.00 -0.33 0.00 -0.13 0.00 0.00 55.73 55.96 3hwx s ARG 342 Cb -0.70 0.27 -0.14 0.00 -1.56 0.00 0.00 34.95 32.83 3hwx s ARG 342 CO 0.51 -0.15 1.54 0.94 -0.81 0.00 0.00 175.30 177.33 3hwx n GLN 343 N 1.71 2.17 -1.77 5.12 -0.06 -1.26 -4.16 117.38 119.13 3hwx n GLN 343 Ca -0.19 0.78 -0.40 0.00 -2.00 0.00 0.00 57.00 55.19 3hwx n GLN 343 Cb 0.56 -2.52 0.01 0.00 -4.06 0.00 0.00 30.24 24.24 3hwx n GLN 343 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 3hwx n PRO 344 N 3.00 2.39 -0.01 3.69 -0.02 -1.26 -4.72 135.00 138.06 3hwx n PRO 344 Ca 0.15 0.85 0.04 0.00 -2.02 0.00 0.00 63.50 62.52 3hwx n PRO 344 Cb 0.30 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.02 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 -0.04 0.00 -2.32 6.00 4.27 -1.21 -4.95 117.44 119.18 3hwx n TRP 345 Ca 0.04 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.23 3hwx n TRP 345 Cb 0.41 -0.34 -0.03 0.00 -1.36 0.00 0.00 31.31 29.98 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 3.58 0.29 -0.05 0.00 0.31 -1.26 -4.84 118.33 116.36 3hwx n VAL 347 Ca 0.09 -0.13 -0.13 0.00 -0.01 0.00 0.00 64.34 64.16 3hwx n VAL 347 Cb 0.45 -0.74 -0.14 0.00 -0.91 0.00 0.00 33.84 32.50 3hwx n VAL 347 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3hwx n GLU 348 N -2.52 0.68 -0.03 5.55 1.02 -1.26 -4.46 120.64 119.62 3hwx n GLU 348 Ca -0.08 0.20 -0.11 0.00 -0.02 0.00 0.00 57.16 57.15 3hwx n GLU 348 Cb 0.61 -1.67 -0.05 0.00 -0.02 0.00 0.00 31.44 30.30 3hwx n GLU 348 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3hwx h ILE 349 N 0.02 1.09 0.00 -3.67 2.04 -1.89 -1.95 117.51 113.15 3hwx h ILE 349 Ca -0.42 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 3hwx h ILE 349 Cb 2.06 1.01 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 3hwx h ILE 349 CO 0.05 0.09 -0.03 -0.65 0.00 0.00 0.00 178.15 177.61 3hwx h PRO 350 N 0.13 0.00 -0.06 2.37 0.11 -1.89 -0.42 132.00 132.24 3hwx h PRO 350 Ca 0.05 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.03 3hwx h PRO 350 Cb 0.07 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.19 3hwx h PRO 350 CO -0.01 0.03 -0.47 -0.09 -0.21 0.00 0.00 178.00 177.25 3hwx h ARG 351 N 0.00 0.42 -0.41 1.05 2.43 -1.59 -3.23 114.38 113.05 3hwx h ARG 351 Ca -0.00 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.77 3hwx h ARG 351 Cb 0.13 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3hwx h ARG 351 CO 0.00 1.02 0.16 -0.07 -1.51 0.00 0.00 179.97 179.57 3hwx h LEU 352 N -0.06 0.57 -1.60 3.80 3.38 -0.66 -2.07 115.31 118.67 3hwx h LEU 352 Ca -0.04 -0.17 0.11 0.00 0.09 0.00 0.00 57.88 57.86 3hwx h LEU 352 Cb 1.14 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 3hwx h LEU 352 CO 0.10 0.58 0.43 0.00 0.09 0.00 0.00 178.44 179.64 3hwx h ALA 353 N 1.00 2.01 0.08 1.53 0.00 -1.22 1.12 119.26 123.79 3hwx h ALA 353 Ca 0.14 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 3hwx h ALA 353 Cb 0.20 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hwx h ALA 353 CO -0.01 -0.16 -0.87 1.49 0.00 0.00 0.00 179.25 179.70 3hwx h GLU 354 N 0.44 0.45 -0.54 0.00 4.81 -1.52 -2.12 114.58 116.10 3hwx h GLU 354 Ca 0.30 -0.59 -0.05 0.00 -0.13 0.00 0.00 59.36 58.89 3hwx h GLU 354 Cb 0.59 0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 3hwx h GLU 354 CO -0.09 1.24 0.15 1.96 -0.73 0.00 0.00 179.01 181.53 3hwx h GLN 355 N -0.05 0.85 -0.67 1.92 4.20 -0.54 -1.36 115.11 119.47 3hwx h GLN 355 Ca -0.13 -0.20 0.13 0.00 0.06 0.00 0.00 58.65 58.51 3hwx h GLN 355 Cb 1.60 -0.12 -0.09 0.00 0.30 0.00 0.00 27.48 29.17 3hwx h GLN 355 CO 0.17 0.80 0.19 0.00 -0.67 0.00 0.00 178.83 179.31 3hwx h ALA 356 N 1.02 0.86 -0.01 3.87 0.00 0.12 -1.71 119.26 123.41 3hwx h ALA 356 Ca 0.17 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 3hwx h ALA 356 Cb 0.32 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.27 3hwx h ALA 356 CO -0.00 -0.28 0.00 1.98 0.00 0.00 0.00 179.25 180.95 3hwx h MET 357 N 0.32 0.02 0.00 0.00 1.85 -0.64 -2.63 114.93 113.84 3hwx h MET 357 Ca 0.36 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.45 3hwx h MET 357 Cb 0.56 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.59 3hwx h MET 357 CO -0.43 0.22 0.00 1.96 -0.40 0.00 0.00 176.91 178.26 3hwx h GLN 358 N -0.19 0.00 -0.46 0.39 4.20 -1.08 0.11 115.11 118.08 3hwx h GLN 358 Ca 0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 3hwx h GLN 358 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3hwx h GLN 358 CO -0.00 0.00 -0.08 0.00 -0.67 0.00 0.00 178.83 178.08 3hwx h ALA 359 N 2.00 0.62 -0.60 3.87 0.00 -0.97 -0.36 119.26 123.82 3hwx h ALA 359 Ca 0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3hwx h ALA 359 Cb 0.42 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3hwx h ALA 359 CO 0.00 0.49 0.16 0.28 0.00 0.00 0.00 179.25 180.19 3hwx h VAL 360 N 0.70 1.25 -0.74 0.00 2.07 -0.89 -3.29 116.25 115.35 3hwx h VAL 360 Ca 0.12 -0.88 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 3hwx h VAL 360 Cb 0.61 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3hwx h VAL 360 CO 0.04 0.33 0.31 0.40 0.02 0.00 0.00 177.57 178.67 3hwx h ILE 361 N 0.87 1.25 -0.09 4.57 2.04 -0.47 -1.96 117.51 123.72 3hwx h ILE 361 Ca 0.19 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.32 3hwx h ILE 361 Cb 0.33 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 3hwx h ILE 361 CO -0.00 0.31 0.14 0.00 0.00 0.00 0.00 178.15 178.60 3hwx h ALA 362 N 1.27 1.54 -0.34 1.87 0.00 -1.14 -2.79 119.26 119.68 3hwx h ALA 362 Ca 0.25 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 3hwx h ALA 362 Cb 0.18 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3hwx h ALA 362 CO -0.02 -0.19 0.01 0.54 0.00 0.00 0.00 179.25 179.58 3hwx n ARG 363 N -3.56 2.46 0.00 0.00 1.74 -0.74 -4.74 116.66 111.81 3hwx n ARG 363 Ca -0.01 -2.99 0.13 0.00 -0.77 0.00 0.00 57.85 54.22 3hwx n ARG 363 Cb 0.24 -1.85 0.48 0.00 -1.02 0.00 0.00 32.46 30.30 3hwx n ARG 363 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 3hwx n ARG 364 N -0.79 0.15 0.09 5.56 1.85 -1.05 -4.26 116.66 118.21 3hwx n ARG 364 Ca 0.28 -0.05 -0.13 0.00 -1.00 0.00 0.00 57.85 56.95 3hwx n ARG 364 Cb 0.99 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 30.78 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 0.13 0.29 -2.75 2.89 3.32 -1.85 -3.46 116.42 114.99 3hwx h ASP 365 Ca 0.00 -0.30 -0.56 0.00 0.02 0.00 0.00 57.03 56.19 3hwx h ASP 365 Cb 0.47 -0.09 0.07 0.00 0.22 0.00 0.00 39.33 40.00 3hwx h ASP 365 CO 0.00 1.23 0.81 0.00 -1.72 0.00 0.00 179.24 179.56 3hwx n ALA 366 N -2.47 1.91 -0.78 3.45 0.00 -1.26 -4.83 120.51 116.52 3hwx n ALA 366 Ca -0.06 0.41 -0.20 0.00 0.00 0.00 0.00 53.44 53.59 3hwx n ALA 366 Cb 0.99 -2.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.00 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 2.72 1.09 -3.73 0.00 7.35 -1.26 -4.71 117.46 118.92 3hwx n PHE 367 Ca 0.13 -1.80 -0.22 0.00 -0.76 0.00 0.00 57.45 54.79 3hwx n PHE 367 Cb 0.33 -1.62 -0.04 0.00 0.35 0.00 0.00 39.48 38.50 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 2.95 2.21 0.22 7.13 0.00 -1.26 -4.93 107.32 113.64 3hwx s GLY 368 Ca 0.44 -1.86 0.09 0.00 0.00 0.00 0.00 44.72 43.39 3hwx s GLY 368 CO -0.03 -1.78 1.49 1.05 0.00 0.00 0.00 173.10 173.83 3hwx h GLU 369 N 1.07 0.00 0.05 2.90 4.11 -1.96 -0.82 114.58 119.94 3hwx h GLU 369 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.02 3hwx h GLU 369 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3hwx h GLU 369 CO 0.60 0.75 -0.05 0.00 0.07 0.00 0.00 179.01 180.38 3hwx h ALA 370 N 1.25 -0.10 0.15 1.06 0.00 -1.92 -1.97 119.26 117.73 3hwx h ALA 370 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3hwx h ALA 370 Cb 1.34 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3hwx h ALA 370 CO 0.10 -0.56 -0.26 1.96 0.00 0.00 0.00 179.25 180.48 3hwx h GLN 371 N -0.11 -0.48 -1.00 0.00 7.50 -1.81 -1.94 115.11 117.26 3hwx h GLN 371 Ca 0.00 0.03 0.25 0.00 0.50 0.00 0.00 58.65 59.43 3hwx h GLN 371 Cb 0.11 0.11 -0.13 0.00 0.05 0.00 0.00 27.48 27.62 3hwx h GLN 371 CO -0.01 -0.32 0.60 1.25 -1.50 0.00 0.00 178.83 178.85 3hwx h LEU 372 N -0.49 0.67 0.38 1.46 5.85 -0.98 0.30 115.31 122.50 3hwx h LEU 372 Ca 0.02 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3hwx h LEU 372 Cb 0.50 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.57 3hwx h LEU 372 CO -0.13 0.09 -0.18 0.00 -0.34 0.00 0.00 178.44 177.88 3hwx h ALA 373 N 1.74 -0.51 -0.70 1.25 0.00 -0.63 0.09 119.26 120.49 3hwx h ALA 373 Ca 0.65 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.51 3hwx h ALA 373 Cb 1.25 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 3hwx h ALA 373 CO -0.48 -0.69 -0.34 1.25 0.00 0.00 0.00 179.25 178.98 3hwx h HIS 374 N -0.71 -0.95 -0.96 0.00 -0.00 -0.42 -2.85 115.15 109.26 3hwx h HIS 374 Ca -0.05 0.08 0.12 0.00 -0.00 0.00 0.00 60.37 60.52 3hwx h HIS 374 Cb 0.50 0.52 -0.09 0.00 -0.00 0.00 0.00 27.41 28.34 3hwx h HIS 374 CO -0.01 -0.39 0.59 0.00 -0.00 0.00 0.00 177.93 178.13 3hwx h ARG 375 N -0.12 0.89 -0.11 5.26 2.47 -0.26 -3.41 114.38 119.11 3hwx h ARG 375 Ca 0.27 -0.05 0.02 0.00 -1.26 0.00 0.00 59.98 58.95 3hwx h ARG 375 Cb 0.56 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.66 3hwx h ARG 375 CO -0.76 0.59 -0.02 1.51 0.56 0.00 0.00 179.97 181.84 3hwx n ILE 376 N -4.67 -0.04 0.17 2.04 0.13 -0.00 0.55 119.36 117.53 3hwx n ILE 376 Ca 0.18 0.24 0.14 0.00 -1.10 0.00 0.00 62.75 62.21 3hwx n ILE 376 Cb 0.36 -0.34 0.69 0.00 -0.84 0.00 0.00 39.64 39.52 3hwx n ILE 376 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3hwx h ASP 378 N 0.00 0.00 0.00 0.00 3.32 -0.24 -3.21 116.42 116.29 3hwx h ASP 378 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3hwx h ASP 378 Cb 0.40 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3hwx h ASP 378 CO -0.00 0.01 -0.99 -1.22 -1.72 0.00 0.00 179.24 175.32 3hwx n TYR 379 N -3.24 0.00 -1.58 4.55 4.01 0.14 -5.01 117.16 116.04 3hwx n TYR 379 Ca -0.03 0.00 -0.50 0.00 -0.16 0.00 0.00 57.90 57.21 3hwx n TYR 379 Cb 0.11 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 38.97 3hwx n TYR 379 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hwx n LEU 380 N -1.56 1.57 -4.86 7.72 4.77 -1.01 -4.97 117.00 118.67 3hwx n LEU 380 Ca 0.01 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.81 3hwx n LEU 380 Cb 0.25 -1.20 0.03 0.00 -2.33 0.00 0.00 43.42 40.17 3hwx n LEU 380 CO 0.27 -1.18 0.72 -2.16 -1.33 0.00 0.00 177.39 173.71 3hwx s PRO 381 N 0.04 3.29 -0.01 3.23 0.04 -1.26 -5.00 135.00 135.34 3hwx s PRO 381 Ca 0.79 0.76 -0.30 0.00 0.04 0.00 0.00 61.00 62.29 3hwx s PRO 381 Cb -0.90 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 31.56 3hwx s PRO 381 CO 0.50 -0.80 1.05 -1.21 0.04 0.00 0.00 177.00 176.58 3hwx s GLU 382 N -5.17 4.49 -0.95 4.56 0.41 -1.26 -2.54 118.70 118.25 3hwx s GLU 382 Ca 0.56 1.52 -0.02 0.00 -0.41 0.00 0.00 54.97 56.62 3hwx s GLU 382 Cb -0.12 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 3hwx s GLU 382 CO 0.54 -0.18 0.32 1.04 -0.49 0.00 0.00 175.26 176.50 3hwx n GLN 383 N 4.20 -2.70 -0.41 1.61 1.13 -1.26 -4.89 117.38 115.06 3hwx n GLN 383 Ca 0.08 0.55 0.00 0.00 -1.94 0.00 0.00 57.00 55.69 3hwx n GLN 383 Cb 0.49 -4.67 0.00 0.00 0.11 0.00 0.00 30.24 26.17 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 -1.19 4.30 3.36 1.08 0.00 -1.05 -4.52 105.19 107.17 3hwx n GLY 384 Ca -0.08 -2.07 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 3hwx n GLY 384 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hwx s GLN 385 N 0.93 0.45 -0.23 1.61 0.74 -1.15 -4.24 119.66 117.77 3hwx s GLN 385 Ca 0.00 0.96 -0.05 0.00 0.05 0.00 0.00 55.36 56.32 3hwx s GLN 385 Cb 0.00 0.13 -0.02 0.00 1.10 0.00 0.00 33.01 34.22 3hwx s GLN 385 CO 0.00 -0.18 0.01 -1.17 -0.55 0.00 0.00 175.29 173.41 3hwx s LEU 386 N 1.76 3.19 -0.25 3.68 2.96 0.37 -1.72 118.68 128.69 3hwx s LEU 386 Ca -0.08 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.49 3hwx s LEU 386 Cb -0.09 -1.83 -0.02 0.00 0.50 0.00 0.00 46.19 44.75 3hwx s LEU 386 CO -0.15 -0.01 0.04 0.12 -1.32 0.00 0.00 176.35 175.04 3hwx s PHE 387 N 1.42 3.06 -0.09 5.38 5.36 0.13 0.76 117.98 133.99 3hwx s PHE 387 Ca 0.05 -0.60 -0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3hwx s PHE 387 Cb -0.15 -2.21 -0.03 0.00 -0.34 0.00 0.00 43.02 40.29 3hwx s PHE 387 CO 0.01 -0.42 -0.03 0.54 -1.46 0.00 0.00 175.22 173.86 3hwx s VAL 388 N 1.57 4.07 0.90 3.12 0.11 -0.76 -1.93 120.40 127.48 3hwx s VAL 388 Ca 0.06 -0.33 -0.14 0.00 -2.93 0.00 0.00 61.98 58.63 3hwx s VAL 388 Cb -0.15 -2.71 0.15 0.00 -1.53 0.00 0.00 36.38 32.15 3hwx s VAL 388 CO 0.02 0.59 1.26 -0.83 -3.33 0.00 0.00 175.10 172.80 3hwx s GLY 389 N -0.66 1.71 0.00 6.54 0.00 0.16 -4.52 107.32 110.54 3hwx s GLY 389 Ca 0.10 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.82 3hwx s GLY 389 CO 0.02 -0.35 0.00 0.70 0.00 0.00 0.00 173.10 173.47 3hwx n ASN 390 N -3.58 -0.25 0.00 1.64 3.02 -1.26 -3.27 115.26 111.57 3hwx n ASN 390 Ca 0.12 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 3hwx n ASN 390 Cb 0.60 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 -1.28 0.00 0.03 6.41 2.88 -1.26 -3.45 113.62 116.95 3hwx n SER 391 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 3hwx n SER 391 Cb 0.00 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.40 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 -0.02 -0.30 2.46 3.38 -1.96 -3.24 115.31 115.62 3hwx h LEU 392 Ca 0.00 0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3hwx h LEU 392 Cb 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 3hwx h LEU 392 CO 0.00 -0.01 -0.33 1.62 0.09 0.00 0.00 178.44 179.81 3hwx h VAL 393 N 0.00 0.24 -0.48 1.22 3.04 -1.84 0.32 116.25 118.75 3hwx h VAL 393 Ca 0.01 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.69 3hwx h VAL 393 Cb 0.02 0.24 -0.02 0.00 -2.01 0.00 0.00 31.29 29.51 3hwx h VAL 393 CO -0.02 0.00 0.23 1.62 -1.01 0.00 0.00 177.57 178.39 3hwx h VAL 394 N -0.31 1.16 -0.36 1.51 3.04 -1.59 0.32 116.25 120.03 3hwx h VAL 394 Ca 0.14 -0.45 -0.11 0.00 -1.01 0.00 0.00 66.70 65.26 3hwx h VAL 394 Cb 0.55 0.55 -0.01 0.00 -2.01 0.00 0.00 31.29 30.37 3hwx h VAL 394 CO -0.47 0.19 -0.22 0.03 -1.01 0.00 0.00 177.57 176.08 3hwx h ARG 395 N 0.67 0.78 -0.09 4.17 3.08 -1.11 -2.31 114.38 119.57 3hwx h ARG 395 Ca 0.17 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 3hwx h ARG 395 Cb 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3hwx h ARG 395 CO -0.02 0.99 0.00 -0.07 -1.07 0.00 0.00 179.97 179.79 3hwx h LEU 396 N 0.56 0.16 -1.95 3.04 3.38 0.82 -1.06 115.31 120.26 3hwx h LEU 396 Ca 0.07 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 3hwx h LEU 396 Cb 0.78 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.49 3hwx h LEU 396 CO 0.06 0.42 -0.10 0.40 0.09 0.00 0.00 178.44 179.31 3hwx h ILE 397 N -0.12 0.80 -0.18 1.22 2.04 -1.05 -0.21 117.51 120.00 3hwx h ILE 397 Ca 0.03 -0.40 -0.19 0.00 1.00 0.00 0.00 64.86 65.29 3hwx h ILE 397 Cb 0.34 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3hwx h ILE 397 CO 0.00 0.10 -0.65 -0.78 0.00 0.00 0.00 178.15 176.83 3hwx h ASP 398 N 0.00 0.79 0.26 1.72 3.58 -0.70 -2.99 116.42 119.07 3hwx h ASP 398 Ca -0.00 -0.47 -0.34 0.00 0.42 0.00 0.00 57.03 56.64 3hwx h ASP 398 Cb 0.23 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3hwx h ASP 398 CO 0.01 1.23 -1.83 0.00 -2.88 0.00 0.00 179.24 175.78 3hwx h ALA 399 N 0.77 0.41 0.00 -0.78 0.00 -0.94 -3.41 119.26 115.32 3hwx h ALA 399 Ca -0.02 -1.31 0.00 0.00 0.00 0.00 0.00 54.91 53.58 3hwx h ALA 399 Cb 1.24 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.59 3hwx h ALA 399 CO 0.13 1.28 -0.97 1.28 0.00 0.00 0.00 179.25 180.96 3hwx n LEU 400 N -3.43 0.66 -4.38 0.00 4.77 -0.12 -3.67 117.00 110.84 3hwx n LEU 400 Ca -0.25 -0.41 -0.30 0.00 -0.03 0.00 0.00 56.01 55.01 3hwx n LEU 400 Cb 1.05 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 42.00 3hwx n LEU 400 CO 0.46 0.17 -0.54 -0.55 -1.33 0.00 0.00 177.39 175.59 3hwx s SER 401 N -2.85 3.37 -0.49 -1.43 0.15 -1.13 -4.33 113.70 106.99 3hwx s SER 401 Ca 0.04 -0.53 -0.09 0.00 0.70 0.00 0.00 55.95 56.07 3hwx s SER 401 Cb 0.13 -0.39 0.12 0.00 -1.71 0.00 0.00 66.02 64.17 3hwx s SER 401 CO 0.70 0.26 0.37 -1.58 1.20 0.00 0.00 173.24 174.19 3hwx s GLN 402 N -1.28 2.52 0.02 5.44 0.74 -1.26 -4.70 119.66 121.14 3hwx s GLN 402 Ca 0.13 -1.82 -0.30 0.00 0.05 0.00 0.00 55.36 53.42 3hwx s GLN 402 Cb -0.10 -3.94 -0.03 0.00 1.10 0.00 0.00 33.01 30.03 3hwx s GLN 402 CO 0.03 -1.20 0.99 -0.51 -0.55 0.00 0.00 175.29 174.05 3hwx s LEU 403 N 1.27 4.38 0.13 3.68 1.43 -1.26 -4.90 118.68 123.41 3hwx s LEU 403 Ca 0.07 1.69 -0.35 0.00 -1.03 0.00 0.00 54.13 54.51 3hwx s LEU 403 Cb -0.26 -3.57 -0.16 0.00 0.03 0.00 0.00 46.19 42.23 3hwx s LEU 403 CO -0.01 -0.25 1.36 -2.65 0.23 0.00 0.00 176.35 175.03 3hwx n PRO 404 N 3.78 1.42 -1.89 1.29 -0.02 -1.26 -2.90 135.00 135.41 3hwx n PRO 404 Ca 0.06 0.51 -0.41 0.00 -2.02 0.00 0.00 63.50 61.64 3hwx n PRO 404 Cb 0.51 -2.15 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3hwx n PRO 404 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hwx s ALA 405 N 0.40 3.60 -0.59 3.55 0.00 -1.26 -2.26 121.76 125.20 3hwx s ALA 405 Ca 0.80 1.48 0.00 0.00 0.00 0.00 0.00 51.96 54.24 3hwx s ALA 405 Cb -0.86 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 18.68 3hwx s ALA 405 CO 0.46 -0.91 0.00 0.41 0.00 0.00 0.00 175.76 175.72 3hwx n GLY 406 N 1.08 0.76 3.76 0.00 0.00 -0.26 -4.88 105.19 105.65 3hwx n GLY 406 Ca 0.03 -0.34 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.01 3.57 -0.28 1.61 6.14 -0.96 -4.82 117.35 120.59 3hwx s TYR 407 Ca 0.00 0.87 -0.28 0.00 0.64 0.00 0.00 57.07 58.30 3hwx s TYR 407 Cb 0.00 -2.44 -0.04 0.00 0.42 0.00 0.00 41.96 39.90 3hwx s TYR 407 CO 0.00 0.32 2.07 -2.14 0.64 0.00 0.00 175.55 176.44 3hwx s PRO 408 N 0.10 3.14 -0.20 4.97 0.02 -1.26 -4.75 135.00 137.01 3hwx s PRO 408 Ca 0.24 1.76 -0.05 0.00 0.02 0.00 0.00 61.00 62.96 3hwx s PRO 408 Cb -0.15 -4.32 -0.02 0.00 0.02 0.00 0.00 34.50 30.02 3hwx s PRO 408 CO 0.10 -2.09 0.00 0.08 -0.33 0.00 0.00 177.00 174.76 3hwx s VAL 409 N 8.03 3.97 0.39 3.83 1.01 -1.26 0.14 120.40 136.50 3hwx s VAL 409 Ca 0.93 -0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.68 3hwx s VAL 409 Cb -0.28 -2.80 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 3hwx s VAL 409 CO 0.34 0.42 0.02 -0.31 0.00 0.00 0.00 175.10 175.57 3hwx s TYR 410 N 1.02 2.52 -0.03 5.22 2.02 0.23 -4.96 117.35 123.37 3hwx s TYR 410 Ca 0.02 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.83 3hwx s TYR 410 Cb -0.14 -1.69 0.11 0.00 -0.40 0.00 0.00 41.96 39.84 3hwx s TYR 410 CO 0.02 0.44 1.31 -1.54 -1.57 0.00 0.00 175.55 174.20 3hwx s SER 411 N -3.72 -0.03 -0.61 2.29 1.04 -1.26 -1.82 113.70 109.59 3hwx s SER 411 Ca 0.36 -0.15 0.05 0.00 0.48 0.00 0.00 55.95 56.69 3hwx s SER 411 Cb 0.06 0.14 0.19 0.00 0.10 0.00 0.00 66.02 66.50 3hwx s SER 411 CO 0.19 -0.26 0.50 0.59 0.98 0.00 0.00 173.24 175.24 3hwx n ASN 412 N -0.71 2.11 -1.46 7.02 3.02 -1.26 -4.98 115.26 119.00 3hwx n ASN 412 Ca -0.04 -3.01 -0.10 0.00 -0.03 0.00 0.00 54.58 51.39 3hwx n ASN 412 Cb 0.61 -0.69 0.19 0.00 -0.61 0.00 0.00 39.78 39.28 3hwx n ASN 412 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hwx n ARG 413 N 1.95 1.98 -0.10 3.52 5.12 -1.26 -3.26 116.66 124.60 3hwx n ARG 413 Ca 0.24 -3.18 -0.18 0.00 -1.93 0.00 0.00 57.85 52.79 3hwx n ARG 413 Cb 0.40 -1.92 -0.06 0.00 -1.16 0.00 0.00 32.46 29.72 3hwx n ARG 413 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwx n GLY 414 N -1.12 -0.44 0.44 -0.13 0.00 -1.26 -4.52 105.19 98.16 3hwx n GLY 414 Ca 0.40 -0.20 0.05 0.00 0.00 0.00 0.00 46.02 46.27 3hwx n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwx n ALA 415 N -4.23 2.38 -3.45 4.61 0.00 -1.26 -5.01 120.51 113.55 3hwx n ALA 415 Ca -0.33 -0.75 -0.24 0.00 0.00 0.00 0.00 53.44 52.12 3hwx n ALA 415 Cb 0.68 -0.35 -0.01 0.00 0.00 0.00 0.00 19.45 19.77 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 0.50 -3.59 -4.72 0.00 7.64 -1.20 -4.88 113.62 107.37 3hwx n SER 416 Ca 0.07 -0.45 -0.42 0.00 1.01 0.00 0.00 58.87 59.08 3hwx n SER 416 Cb 0.29 -2.98 -0.03 0.00 -1.01 0.00 0.00 64.21 60.49 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 -2.77 2.39 0.00 0.23 0.00 -1.26 -4.88 107.32 101.03 3hwx s GLY 417 Ca 0.43 0.90 0.19 0.00 0.00 0.00 0.00 44.72 46.24 3hwx s GLY 417 CO 0.53 2.05 1.52 0.29 0.00 0.00 0.00 173.10 177.50 3hwx n ILE 418 N 3.75 0.00 0.21 0.90 -5.35 -1.26 -4.30 119.36 113.31 3hwx n ILE 418 Ca 0.09 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.68 3hwx n ILE 418 Cb 0.46 -0.70 0.16 0.00 -1.74 0.00 0.00 39.64 37.82 3hwx n ILE 418 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3hwx h ASP 419 N 0.00 0.00 -0.65 7.28 2.03 -1.92 -3.38 116.42 119.78 3hwx h ASP 419 Ca 0.00 0.00 -0.36 0.00 -0.73 0.00 0.00 57.03 55.94 3hwx h ASP 419 Cb 0.00 0.00 -0.41 0.00 -0.83 0.00 0.00 39.33 38.09 3hwx h ASP 419 CO 0.00 0.05 -1.03 0.61 -1.03 0.00 0.00 179.24 177.85 3hwx n GLY 420 N 1.09 3.25 0.16 7.15 0.00 -1.26 -4.54 105.19 111.04 3hwx n GLY 420 Ca 0.04 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.21 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 2.54 0.84 -0.58 0.99 3.38 -1.85 -0.57 115.31 120.06 3hwx h LEU 421 Ca 0.03 -0.85 -0.14 0.00 0.09 0.00 0.00 57.88 57.01 3hwx h LEU 421 Cb 1.31 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 3hwx h LEU 421 CO 0.42 1.61 -0.34 -0.07 0.09 0.00 0.00 178.44 180.15 3hwx h LEU 422 N 0.19 0.80 -0.30 1.67 3.38 -1.89 -2.65 115.31 116.50 3hwx h LEU 422 Ca -0.20 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 3hwx h LEU 422 Cb 1.94 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.45 3hwx h LEU 422 CO 0.24 1.06 -0.59 0.77 0.09 0.00 0.00 178.44 180.01 3hwx h SER 423 N 0.64 0.00 -0.16 -0.43 4.64 -1.87 -1.11 113.55 115.26 3hwx h SER 423 Ca 0.07 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.18 3hwx h SER 423 Cb 0.87 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3hwx h SER 423 CO 0.08 0.59 -0.70 0.74 -0.87 0.00 0.00 176.83 176.67 3hwx h THR 424 N 0.00 1.28 -0.79 2.95 2.02 -1.11 -3.10 112.91 114.17 3hwx h THR 424 Ca -0.01 -1.90 -0.00 0.00 0.77 0.00 0.00 66.41 65.27 3hwx h THR 424 Cb 1.33 1.87 -0.04 0.00 -1.74 0.00 0.00 68.15 69.57 3hwx h THR 424 CO 0.08 0.61 0.48 0.00 0.37 0.00 0.00 175.52 177.06 3hwx h ALA 425 N 0.64 1.00 -0.48 6.16 0.00 -1.24 -0.81 119.26 124.52 3hwx h ALA 425 Ca -0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3hwx h ALA 425 Cb 1.32 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 3hwx h ALA 425 CO 0.15 0.46 0.28 0.00 0.00 0.00 0.00 179.25 180.14 3hwx h ALA 426 N 1.26 0.62 -0.99 0.00 0.00 -1.23 -1.46 119.26 117.45 3hwx h ALA 426 Ca 0.28 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3hwx h ALA 426 Cb -0.05 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 3hwx h ALA 426 CO -0.05 0.11 0.64 0.78 0.00 0.00 0.00 179.25 180.73 3hwx h GLY 427 N 0.64 1.50 1.05 0.00 0.00 -1.41 -1.53 103.07 103.33 3hwx h GLY 427 Ca 0.17 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.98 3hwx h GLY 427 CO -0.03 0.35 0.28 -2.08 0.00 0.00 0.00 176.54 175.06 3hwx h VAL 428 N 1.19 1.26 0.00 4.60 2.07 -0.15 -2.63 116.25 122.59 3hwx h VAL 428 Ca 0.42 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 3hwx h VAL 428 Cb 0.13 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 30.28 3hwx h VAL 428 CO -0.16 0.34 -0.49 0.06 0.02 0.00 0.00 177.57 177.34 3hwx h GLN 429 N 1.11 0.00 0.00 1.57 -0.00 -0.89 -3.26 115.11 113.64 3hwx h GLN 429 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.90 3hwx h GLN 429 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 3hwx h GLN 429 CO -0.02 0.06 -0.11 0.00 -0.00 0.00 0.00 178.83 178.77 3hwx h ARG 430 N 0.00 0.00 0.10 0.06 3.08 -0.99 -0.42 114.38 116.21 3hwx h ARG 430 Ca -0.01 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.72 3hwx h ARG 430 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 3hwx h ARG 430 CO 0.01 0.00 -1.68 0.00 -1.07 0.00 0.00 179.97 177.23 3hwx h ALA 431 N 2.08 0.39 0.00 0.04 0.00 -1.52 -3.36 119.26 116.90 3hwx h ALA 431 Ca 0.00 -1.24 -0.18 0.00 0.00 0.00 0.00 54.91 53.50 3hwx h ALA 431 Cb 0.96 0.42 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 3hwx h ALA 431 CO 0.00 1.25 -2.04 -1.13 0.00 0.00 0.00 179.25 177.34 3hwx n SER 432 N -3.40 0.16 -2.89 0.00 3.41 -1.24 -4.88 113.62 104.79 3hwx n SER 432 Ca -0.20 0.07 -0.19 0.00 -0.26 0.00 0.00 58.87 58.28 3hwx n SER 432 Cb 1.05 1.26 0.05 0.00 -0.26 0.00 0.00 64.21 66.31 3hwx n SER 432 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hwx n GLY 433 N 1.48 -0.29 3.67 5.00 0.00 -0.17 -5.00 105.19 109.87 3hwx n GLY 433 Ca -0.16 0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 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 -5.90 2.51 0.42 1.61 1.02 -1.22 -4.78 119.74 113.40 3hwx s LYS 434 Ca 0.41 -0.85 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 3hwx s LYS 434 Cb -0.18 -2.52 -0.11 0.00 -0.52 0.00 0.00 37.83 34.51 3hwx s LYS 434 CO 0.51 0.54 0.91 -2.30 -0.92 0.00 0.00 175.35 174.09 3hwx n PRO 435 N 0.67 1.14 -3.75 -1.68 -0.02 -1.26 -4.72 135.00 125.38 3hwx n PRO 435 Ca -0.11 0.41 -0.19 0.00 -2.02 0.00 0.00 63.50 61.58 3hwx n PRO 435 Cb 0.52 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.91 3hwx n PRO 435 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hwx s THR 436 N -1.32 0.04 -0.44 3.45 2.01 0.28 -2.92 115.64 116.74 3hwx s THR 436 Ca 0.64 0.28 -0.19 0.00 0.31 0.00 0.00 61.69 62.73 3hwx s THR 436 Cb -0.57 -0.24 0.03 0.00 0.01 0.00 0.00 72.50 71.73 3hwx s THR 436 CO 0.57 0.18 0.56 -0.22 -0.69 0.00 0.00 174.62 175.01 3hwx s LEU 437 N 1.79 4.70 -0.30 4.42 2.96 -0.70 -0.12 118.68 131.43 3hwx s LEU 437 Ca 0.01 -0.54 -0.11 0.00 -0.22 0.00 0.00 54.13 53.27 3hwx s LEU 437 Cb -0.12 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 43.98 3hwx s LEU 437 CO -0.03 -0.71 0.18 0.00 -1.32 0.00 0.00 176.35 174.46 3hwx s ALA 438 N 2.52 3.39 -0.12 5.97 0.00 0.12 0.20 121.76 133.84 3hwx s ALA 438 Ca 0.17 -1.27 -0.02 0.00 0.00 0.00 0.00 51.96 50.84 3hwx s ALA 438 Cb -0.16 -2.45 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 3hwx s ALA 438 CO 0.16 -0.77 -0.06 0.42 0.00 0.00 0.00 175.76 175.50 3hwx s ILE 439 N 1.68 3.68 0.16 0.00 1.01 -0.81 0.57 121.20 127.50 3hwx s ILE 439 Ca 0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 60.65 60.14 3hwx s ILE 439 Cb -0.17 -2.57 0.01 0.00 0.01 0.00 0.00 42.46 39.74 3hwx s ILE 439 CO 0.08 0.53 0.35 0.54 0.00 0.00 0.00 174.94 176.45 3hwx s VAL 440 N -0.01 0.06 0.64 2.92 0.11 -0.09 0.36 120.40 124.40 3hwx s VAL 440 Ca -0.00 -1.13 -0.04 0.00 -2.93 0.00 0.00 61.98 57.88 3hwx s VAL 440 Cb -0.13 -1.65 0.13 0.00 -1.53 0.00 0.00 36.38 33.19 3hwx s VAL 440 CO 0.03 -0.29 0.87 0.61 -3.33 0.00 0.00 175.10 173.00 3hwx n GLY 441 N -0.23 0.10 0.13 6.54 0.00 -1.26 -1.96 105.19 108.51 3hwx n GLY 441 Ca -0.10 -1.93 -0.22 0.00 0.00 0.00 0.00 46.02 43.77 3hwx n GLY 441 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3hwx h ASP 442 N -0.73 0.56 -0.78 1.61 2.03 -1.83 -0.31 116.42 116.97 3hwx h ASP 442 Ca -0.29 -0.91 -0.00 0.00 -0.73 0.00 0.00 57.03 55.10 3hwx h ASP 442 Cb 0.97 -0.18 -0.04 0.00 -0.83 0.00 0.00 39.33 39.25 3hwx h ASP 442 CO 0.27 1.63 0.48 -0.07 -1.03 0.00 0.00 179.24 180.53 3hwx h LEU 443 N -0.13 0.93 -0.03 0.15 3.38 -1.90 0.16 115.31 117.87 3hwx h LEU 443 Ca -0.27 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3hwx h LEU 443 Cb 1.90 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 42.42 3hwx h LEU 443 CO 0.15 0.71 0.01 0.28 0.09 0.00 0.00 178.44 179.68 3hwx h SER 444 N 1.08 0.03 -0.22 -0.43 0.02 -1.83 0.31 113.55 112.51 3hwx h SER 444 Ca 0.28 -0.11 0.06 0.00 -0.84 0.00 0.00 61.79 61.17 3hwx h SER 444 Cb -0.06 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.40 3hwx h SER 444 CO -0.05 0.14 -0.35 0.00 -1.14 0.00 0.00 176.83 175.42 3hwx h ALA 445 N 0.90 -0.38 -0.82 3.77 0.00 -0.54 -1.44 119.26 120.74 3hwx h ALA 445 Ca 0.01 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.08 3hwx h ALA 445 Cb 0.11 0.69 -0.06 0.00 0.00 0.00 0.00 17.79 18.54 3hwx h ALA 445 CO -0.00 -0.81 0.53 -0.07 0.00 0.00 0.00 179.25 178.90 3hwx h LEU 446 N -0.38 0.60 -0.61 0.00 3.38 -0.50 0.27 115.31 118.08 3hwx h LEU 446 Ca 0.11 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 3hwx h LEU 446 Cb 0.57 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 3hwx h LEU 446 CO -0.42 0.33 0.23 0.22 0.09 0.00 0.00 178.44 178.89 3hwx h TYR 447 N 0.65 0.94 -0.28 1.13 5.03 0.68 -2.74 116.97 122.38 3hwx h TYR 447 Ca 0.40 -0.08 -0.01 0.00 2.58 0.00 0.00 58.73 61.62 3hwx h TYR 447 Cb 0.62 -0.28 -0.01 0.00 1.55 0.00 0.00 36.73 38.62 3hwx h TYR 447 CO -0.00 0.76 0.00 -3.47 -1.32 0.00 0.00 178.16 174.13 3hwx n ASP 448 N -4.44 3.89 -0.41 -2.11 2.03 -0.94 -4.78 116.55 109.79 3hwx n ASP 448 Ca 0.04 -3.05 0.34 0.00 0.52 0.00 0.00 54.79 52.64 3hwx n ASP 448 Cb 0.18 -0.56 0.62 0.00 -0.72 0.00 0.00 41.12 40.64 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 1.84 0.29 0.00 -2.67 5.85 -0.14 0.54 115.31 121.01 3hwx h LEU 449 Ca 0.01 0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hwx h LEU 449 Cb 1.48 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.65 3hwx h LEU 449 CO 0.24 -0.20 0.00 -0.46 -0.34 0.00 0.00 178.44 177.68 3hwx n ASN 450 N -4.80 0.00 0.00 1.25 0.23 -1.26 -2.32 115.26 108.35 3hwx n ASN 450 Ca 0.36 0.20 0.12 0.00 -0.53 0.00 0.00 54.58 54.74 3hwx n ASN 450 Cb 1.35 -0.38 0.62 0.00 -2.08 0.00 0.00 39.78 39.29 3hwx n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hwx n ALA 451 N -1.38 2.24 0.12 -2.53 0.00 0.19 -2.56 120.51 116.59 3hwx n ALA 451 Ca 0.08 -0.12 0.19 0.00 0.00 0.00 0.00 53.44 53.59 3hwx n ALA 451 Cb 0.21 -1.40 0.77 0.00 0.00 0.00 0.00 19.45 19.03 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 0.00 -0.86 0.00 3.38 -1.63 -1.24 115.31 114.96 3hwx h LEU 452 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3hwx h LEU 452 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3hwx h LEU 452 CO 0.00 0.00 0.21 0.00 0.09 0.00 0.00 178.44 178.74 3hwx h ALA 453 N 1.67 1.08 0.00 1.53 0.00 -1.76 -2.79 119.26 118.98 3hwx h ALA 453 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3hwx h ALA 453 Cb 0.81 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hwx h ALA 453 CO -0.00 0.63 -0.33 -0.07 0.00 0.00 0.00 179.25 179.47 3hwx h LEU 454 N 1.01 0.00 0.00 0.00 3.38 -1.46 -2.89 115.31 115.35 3hwx h LEU 454 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 3hwx h LEU 454 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hwx h LEU 454 CO -0.01 0.33 0.00 0.18 0.09 0.00 0.00 178.44 179.03 3hwx n LEU 455 N -3.56 0.00 0.12 1.67 4.77 -1.01 -2.16 117.00 116.84 3hwx n LEU 455 Ca -0.00 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 3hwx n LEU 455 Cb 0.47 -0.36 0.42 0.00 -2.33 0.00 0.00 43.42 41.62 3hwx n LEU 455 CO 0.36 -0.08 0.88 0.03 -1.33 0.00 0.00 177.39 177.24 3hwx h ARG 456 N 0.00 0.00 -3.26 3.23 3.08 -1.52 -3.34 114.38 112.57 3hwx h ARG 456 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 3hwx h ARG 456 Cb 0.28 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.91 3hwx h ARG 456 CO 0.00 0.00 -0.60 -0.65 -1.07 0.00 0.00 179.97 177.65 3hwx s GLN 457 N -3.18 2.19 0.01 0.04 -0.21 -0.92 -4.90 119.66 112.70 3hwx s GLN 457 Ca 0.09 -2.93 0.05 0.00 0.02 0.00 0.00 55.36 52.58 3hwx s GLN 457 Cb 0.11 -3.37 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 3hwx s GLN 457 CO 0.55 -1.18 -0.14 0.14 -2.12 0.00 0.00 175.29 172.53 3hwx s VAL 458 N -0.79 1.11 -2.38 1.09 -7.23 -1.26 -4.97 120.40 105.98 3hwx s VAL 458 Ca 0.20 -0.77 0.27 0.00 -1.81 0.00 0.00 61.98 59.87 3hwx s VAL 458 Cb -0.17 -0.96 0.57 0.00 0.56 0.00 0.00 36.38 36.38 3hwx s VAL 458 CO -0.07 0.18 1.75 -1.54 -0.31 0.00 0.00 175.10 175.12 3hwx n SER 459 N 2.38 1.32 -3.51 4.85 3.41 -1.26 -4.38 113.62 116.43 3hwx n SER 459 Ca -0.16 -1.49 -0.10 0.00 -0.26 0.00 0.00 58.87 56.86 3hwx n SER 459 Cb 0.55 -0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 3hwx n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwx s ALA 460 N -1.95 -1.81 0.30 7.33 0.00 -1.26 -4.85 121.76 119.52 3hwx s ALA 460 Ca 0.37 1.09 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 3hwx s ALA 460 Cb 0.20 0.20 -0.13 0.00 0.00 0.00 0.00 23.12 23.39 3hwx s ALA 460 CO 0.32 -0.58 1.13 -0.35 0.00 0.00 0.00 175.76 176.27 3hwx n PRO 461 N 0.07 1.65 -4.59 0.00 -0.04 -1.17 -3.99 135.00 126.93 3hwx n PRO 461 Ca -0.11 0.58 -0.26 0.00 -0.04 0.00 0.00 63.50 63.66 3hwx n PRO 461 Cb 0.61 -2.04 -0.17 0.00 -0.04 0.00 0.00 33.50 31.87 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 -0.09 1.67 -0.23 1.53 0.20 -1.06 -0.56 118.68 120.15 3hwx s LEU 462 Ca 0.58 -0.35 -0.09 0.00 0.69 0.00 0.00 54.13 54.96 3hwx s LEU 462 Cb -0.66 -0.93 -0.04 0.00 -0.43 0.00 0.00 46.19 44.13 3hwx s LEU 462 CO 0.60 0.03 0.12 -0.69 -0.29 0.00 0.00 176.35 176.13 3hwx s VAL 463 N 0.75 5.04 -0.44 1.68 1.01 0.83 -1.47 120.40 127.81 3hwx s VAL 463 Ca -0.13 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 61.79 3hwx s VAL 463 Cb -0.16 -3.34 0.06 0.00 0.00 0.00 0.00 36.38 32.94 3hwx s VAL 463 CO 0.03 0.37 0.32 -0.22 0.00 0.00 0.00 175.10 175.60 3hwx s LEU 464 N 1.03 5.31 -0.43 3.92 2.96 0.32 -0.70 118.68 131.08 3hwx s LEU 464 Ca 0.06 -1.23 -0.20 0.00 -0.22 0.00 0.00 54.13 52.54 3hwx s LEU 464 Cb -0.14 -2.12 0.02 0.00 0.50 0.00 0.00 46.19 44.46 3hwx s LEU 464 CO 0.04 -0.55 0.57 -0.63 -1.32 0.00 0.00 176.35 174.46 3hwx s ILE 465 N 1.59 4.92 -0.26 6.68 1.01 0.19 0.43 121.20 135.76 3hwx s ILE 465 Ca 0.04 -0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 3hwx s ILE 465 Cb -0.22 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.05 3hwx s ILE 465 CO 0.06 -0.54 0.18 -0.69 0.00 0.00 0.00 174.94 173.95 3hwx s VAL 466 N 2.59 5.31 -0.55 2.92 1.01 0.11 -0.91 120.40 130.87 3hwx s VAL 466 Ca 0.19 0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.14 3hwx s VAL 466 Cb -0.15 -3.51 0.07 0.00 0.00 0.00 0.00 36.38 32.80 3hwx s VAL 466 CO 0.17 0.29 0.70 -0.69 0.00 0.00 0.00 175.10 175.57 3hwx s VAL 467 N 1.49 4.77 -1.06 2.92 1.01 -0.83 -1.05 120.40 127.64 3hwx s VAL 467 Ca 0.07 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 3hwx s VAL 467 Cb -0.15 -4.42 0.19 0.00 0.00 0.00 0.00 36.38 32.00 3hwx s VAL 467 CO 0.08 -1.00 1.20 0.21 0.00 0.00 0.00 175.10 175.60 3hwx s ASN 468 N 3.13 6.96 -0.21 3.32 3.84 -0.24 -3.12 114.94 128.61 3hwx s ASN 468 Ca 0.15 -2.81 0.04 0.00 0.21 0.00 0.00 52.86 50.46 3hwx s ASN 468 Cb -0.20 -2.34 0.41 0.00 -0.55 0.00 0.00 41.25 38.57 3hwx s ASN 468 CO 0.10 -0.72 1.40 -0.46 -2.79 0.00 0.00 177.10 174.63 3hwx n ASN 469 N 5.11 3.53 -3.44 -4.21 0.23 -1.26 -2.65 115.26 112.57 3hwx n ASN 469 Ca 0.28 -2.76 -0.18 0.00 -0.53 0.00 0.00 54.58 51.39 3hwx n ASN 469 Cb 0.44 -0.66 0.00 0.00 -2.08 0.00 0.00 39.78 37.49 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 -0.13 -3.30 0.00 0.53 5.15 -1.26 -4.13 115.26 112.13 3hwx n ASN 470 Ca 0.27 -0.70 0.00 0.00 -0.60 0.00 0.00 54.58 53.55 3hwx n ASN 470 Cb 1.02 -1.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.17 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 -1.32 1.55 3.03 8.20 0.00 -1.26 -4.28 105.19 111.10 3hwx n GLY 471 Ca -0.22 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 3hwx n GLY 471 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwx n GLY 472 N -1.46 4.18 0.00 -0.02 0.00 -0.86 -4.69 105.19 102.34 3hwx n GLY 472 Ca 0.00 -1.89 0.01 0.00 0.00 0.00 0.00 46.02 44.14 3hwx n GLY 472 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hwx n GLN 473 N 5.22 0.05 0.18 1.61 1.13 -1.26 -1.33 117.38 122.99 3hwx n GLN 473 Ca 0.43 0.17 0.18 0.00 -1.94 0.00 0.00 57.00 55.85 3hwx n GLN 473 Cb 0.39 -1.50 0.76 0.00 0.11 0.00 0.00 30.24 30.01 3hwx n GLN 473 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 3hwx h ILE 474 N 0.00 0.24 -0.01 5.09 6.09 -1.96 -0.20 117.51 126.75 3hwx h ILE 474 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3hwx h ILE 474 Cb 0.02 0.65 0.00 0.00 0.47 0.00 0.00 36.82 37.95 3hwx h ILE 474 CO 0.00 0.00 -0.08 0.49 -3.07 0.00 0.00 178.15 175.49 3hwx n PHE 475 N -3.41 0.00 0.13 2.19 3.72 -0.44 -2.39 117.46 117.26 3hwx n PHE 475 Ca 0.04 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.56 3hwx n PHE 475 Cb 0.54 -0.03 0.02 0.00 -0.94 0.00 0.00 39.48 39.07 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 2.19 0.00 0.11 4.37 0.02 -1.25 -3.36 113.55 115.64 3hwx h SER 476 Ca 0.00 -0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3hwx h SER 476 Cb 0.54 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 3hwx h SER 476 CO 0.00 0.00 -1.30 0.25 -1.14 0.00 0.00 176.83 174.64 3hwx h LEU 477 N 0.00 0.37 -9.86 5.07 5.85 -1.47 -3.46 115.31 111.81 3hwx h LEU 477 Ca 0.00 -0.85 -0.52 0.00 0.84 0.00 0.00 57.88 57.35 3hwx h LEU 477 Cb 0.99 -0.12 0.06 0.00 0.37 0.00 0.00 40.66 41.96 3hwx h LEU 477 CO 0.00 1.57 0.61 -0.76 -0.34 0.00 0.00 178.44 179.53 3hwx s LEU 478 N -7.61 4.45 0.00 2.25 1.43 -1.00 -4.88 118.68 113.30 3hwx s LEU 478 Ca -0.19 2.61 -0.03 0.00 -1.03 0.00 0.00 54.13 55.48 3hwx s LEU 478 Cb 0.04 -3.64 -0.15 0.00 0.03 0.00 0.00 46.19 42.47 3hwx s LEU 478 CO 0.76 -0.47 2.69 -0.81 0.23 0.00 0.00 176.35 178.76 3hwx n PRO 479 N 0.97 1.43 -1.91 1.29 -0.04 -1.26 -4.88 135.00 130.59 3hwx n PRO 479 Ca 0.00 -0.54 -0.37 0.00 -0.04 0.00 0.00 63.50 62.56 3hwx n PRO 479 Cb 0.42 -1.60 0.04 0.00 -0.04 0.00 0.00 33.50 32.33 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 0.83 2.40 -0.06 0.52 -4.23 -1.26 -4.95 115.64 108.89 3hwx s THR 480 Ca 0.36 0.25 -0.30 0.00 -1.18 0.00 0.00 61.69 60.83 3hwx s THR 480 Cb 0.17 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.88 3hwx s THR 480 CO 0.00 -0.05 1.22 -2.16 -0.54 0.00 0.00 174.62 173.09 3hwx s PRO 481 N -3.30 4.34 0.52 3.99 0.04 -1.26 -4.89 135.00 134.44 3hwx s PRO 481 Ca 0.78 1.69 0.35 0.00 0.04 0.00 0.00 61.00 63.87 3hwx s PRO 481 Cb -0.34 -3.57 1.88 0.00 0.04 0.00 0.00 34.50 32.52 3hwx s PRO 481 CO 0.36 -0.47 2.07 1.96 0.04 0.00 0.00 177.00 180.97 3hwx h GLN 482 N 7.51 0.00 0.04 4.56 4.20 -1.99 -2.75 115.11 126.68 3hwx h GLN 482 Ca -0.34 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.23 3hwx h GLN 482 Cb 1.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.95 3hwx h GLN 482 CO 0.89 0.00 -0.55 1.03 -0.67 0.00 0.00 178.83 179.52 3hwx h SER 483 N 0.00 0.42 -0.50 1.46 0.87 -2.04 -3.32 113.55 110.43 3hwx h SER 483 Ca 0.00 -0.83 0.00 0.00 -1.23 0.00 0.00 61.79 59.73 3hwx h SER 483 Cb 0.03 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3hwx h SER 483 CO 0.00 1.20 0.00 -1.84 -0.53 0.00 0.00 176.83 175.66 3hwx n GLU 484 N -4.28 2.56 0.00 2.24 0.00 -1.14 -4.73 120.64 115.29 3hwx n GLU 484 Ca -0.11 -2.37 0.00 0.00 0.00 0.00 0.00 57.16 54.68 3hwx n GLU 484 Cb 0.67 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.61 3hwx n GLU 484 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3hwx n ARG 485 N 1.42 0.00 0.05 3.44 3.00 -1.05 -2.35 116.66 121.16 3hwx n ARG 485 Ca 0.20 0.81 -0.15 0.00 -0.00 0.00 0.00 57.85 58.71 3hwx n ARG 485 Cb 0.58 -1.42 -0.09 0.00 0.00 0.00 0.00 32.46 31.53 3hwx n ARG 485 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.63 179.12 3hwx h GLU 486 N 0.00 -0.61 0.00 -0.14 4.81 -1.85 0.16 114.58 116.95 3hwx h GLU 486 Ca 0.00 0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3hwx h GLU 486 Cb 0.00 0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 3hwx h GLU 486 CO 0.00 -0.40 -0.77 0.07 -0.73 0.00 0.00 179.01 177.18 3hwx h ARG 487 N -0.63 0.00 -0.01 1.92 0.11 -1.92 -1.81 114.38 112.04 3hwx h ARG 487 Ca 0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.09 3hwx h ARG 487 Cb 0.68 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.76 3hwx h ARG 487 CO -0.34 0.77 -0.34 1.19 0.10 0.00 0.00 179.97 181.34 3hwx n PHE 488 N -3.41 0.00 0.05 4.08 3.72 -0.99 -4.40 117.46 116.50 3hwx n PHE 488 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3hwx n PHE 488 Cb 0.80 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.34 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 0.02 -0.21 0.09 1.38 4.01 0.52 -4.88 117.16 118.09 3hwx n TYR 489 Ca 0.08 0.04 -0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3hwx n TYR 489 Cb 0.39 0.06 0.02 0.00 -0.31 0.00 0.00 39.34 39.50 3hwx n TYR 489 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hwx h LEU 490 N 0.00 0.12 -3.19 7.72 3.38 -1.50 -3.43 115.31 118.40 3hwx h LEU 490 Ca 0.00 -0.09 -0.33 0.00 0.09 0.00 0.00 57.88 57.55 3hwx h LEU 490 Cb 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3hwx h LEU 490 CO 0.00 0.89 -0.71 0.23 0.09 0.00 0.00 178.44 178.93 3hwx n MET 491 N -3.63 -0.95 -2.22 1.13 2.81 -0.68 -2.03 117.12 111.53 3hwx n MET 491 Ca -0.02 0.42 -0.41 0.00 -1.81 0.00 0.00 57.70 55.88 3hwx n MET 491 Cb 0.78 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.86 3hwx n MET 491 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3hwx s PRO 492 N -4.13 4.38 0.00 0.03 0.04 -1.26 -4.63 135.00 129.43 3hwx s PRO 492 Ca 0.03 2.04 0.19 0.00 0.04 0.00 0.00 61.00 63.29 3hwx s PRO 492 Cb -0.01 -3.21 0.42 0.00 0.04 0.00 0.00 34.50 31.74 3hwx s PRO 492 CO 0.58 -0.28 1.35 1.04 0.04 0.00 0.00 177.00 179.73 3hwx n GLN 493 N 2.93 2.47 -3.91 4.56 1.13 -1.26 -4.94 117.38 118.36 3hwx n GLN 493 Ca 0.07 -2.23 -0.32 0.00 -1.94 0.00 0.00 57.00 52.59 3hwx n GLN 493 Cb 0.43 -1.44 0.01 0.00 0.11 0.00 0.00 30.24 29.35 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 1.22 -3.00 -4.53 1.08 3.02 -1.26 -4.91 115.26 106.88 3hwx n ASN 494 Ca 0.18 -0.91 -0.27 0.00 -0.03 0.00 0.00 54.58 53.55 3hwx n ASN 494 Cb 0.54 -1.13 -0.10 0.00 -0.61 0.00 0.00 39.78 38.48 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 -3.75 1.40 0.19 2.41 0.11 -1.26 -5.17 120.40 114.33 3hwx s VAL 495 Ca 0.30 -2.00 -0.04 0.00 -2.93 0.00 0.00 61.98 57.31 3hwx s VAL 495 Cb -0.17 -2.68 -0.03 0.00 -1.53 0.00 0.00 36.38 31.97 3hwx s VAL 495 CO 0.69 0.00 0.19 -1.00 -3.33 0.00 0.00 175.10 171.65 3hwx s HIS 496 N -2.99 0.92 -1.23 1.54 3.76 -1.26 -5.05 115.29 110.98 3hwx s HIS 496 Ca 0.28 -1.20 0.10 0.00 -0.15 0.00 0.00 55.06 54.10 3hwx s HIS 496 Cb 0.07 -0.38 0.10 0.00 1.11 0.00 0.00 32.58 33.48 3hwx s HIS 496 CO 0.14 -0.69 0.87 1.19 -0.85 0.00 0.00 174.74 175.40 3hwx n PHE 497 N -0.26 0.05 0.17 1.40 3.01 -1.26 -4.61 117.46 115.96 3hwx n PHE 497 Ca -0.01 -0.05 -0.16 0.00 1.01 0.00 0.00 57.45 58.24 3hwx n PHE 497 Cb 0.65 -0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.03 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 1.99 -0.73 -0.99 -1.08 4.81 -1.98 -0.04 114.58 116.56 3hwx h GLU 498 Ca 0.00 0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3hwx h GLU 498 Cb 0.46 0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.95 3hwx h GLU 498 CO 0.00 -0.49 0.65 0.45 -0.73 0.00 0.00 179.01 178.89 3hwx h HIS 499 N -0.76 1.21 -0.42 0.92 3.86 -1.99 -0.42 115.15 117.54 3hwx h HIS 499 Ca -0.01 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 3hwx h HIS 499 Cb 0.74 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 3hwx h HIS 499 CO -0.33 0.69 0.07 0.00 0.86 0.00 0.00 177.93 179.22 3hwx h ALA 500 N 1.43 1.33 -0.24 2.45 0.00 -1.72 -1.26 119.26 121.25 3hwx h ALA 500 Ca 0.40 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3hwx h ALA 500 Cb 0.02 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3hwx h ALA 500 CO -0.13 0.47 -0.19 0.00 0.00 0.00 0.00 179.25 179.40 3hwx h ALA 501 N 1.46 0.35 -0.96 0.00 0.00 -0.10 -3.28 119.26 116.72 3hwx h ALA 501 Ca 0.14 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3hwx h ALA 501 Cb 0.29 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 3hwx h ALA 501 CO 0.00 0.28 0.62 0.00 0.00 0.00 0.00 179.25 180.16 3hwx h ALA 502 N 0.69 1.29 -0.66 0.00 0.00 0.02 -0.63 119.26 119.97 3hwx h ALA 502 Ca 0.04 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hwx h ALA 502 Cb 0.73 -0.39 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3hwx h ALA 502 CO 0.05 0.65 0.38 1.98 0.00 0.00 0.00 179.25 182.31 3hwx h MET 503 N 1.31 0.71 -0.50 0.00 1.85 -1.43 -1.39 114.93 115.48 3hwx h MET 503 Ca 0.35 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.40 3hwx h MET 503 Cb -0.13 -0.16 0.00 0.00 0.43 0.00 0.00 31.60 31.74 3hwx h MET 503 CO -0.07 0.47 0.00 1.19 -0.40 0.00 0.00 176.91 178.09 3hwx n PHE 504 N -4.75 0.69 -3.41 1.39 3.72 -1.02 -4.96 117.46 109.11 3hwx n PHE 504 Ca 0.08 -0.30 -0.18 0.00 -0.05 0.00 0.00 57.45 57.00 3hwx n PHE 504 Cb 0.14 -0.08 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.59 -6.63 -4.31 -1.08 1.02 -0.38 -4.88 120.64 104.98 3hwx n GLU 505 Ca 0.14 0.81 -0.29 0.00 -0.02 0.00 0.00 57.16 57.80 3hwx n GLU 505 Cb 0.45 -5.74 -0.11 0.00 -0.02 0.00 0.00 31.44 26.02 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 -6.36 2.74 0.13 -4.62 1.43 -0.42 -5.00 118.68 106.57 3hwx s LEU 506 Ca 0.11 -0.59 -0.31 0.00 -1.03 0.00 0.00 54.13 52.32 3hwx s LEU 506 Cb -0.05 -1.54 -0.08 0.00 0.03 0.00 0.00 46.19 44.55 3hwx s LEU 506 CO 0.70 0.16 1.33 -0.54 0.23 0.00 0.00 176.35 178.23 3hwx s LYS 507 N -2.32 4.36 0.05 1.70 3.01 -1.25 -4.38 119.74 120.91 3hwx s LYS 507 Ca 0.20 2.01 0.07 0.00 -1.01 0.00 0.00 55.97 57.24 3hwx s LYS 507 Cb -0.10 -3.25 -0.03 0.00 -1.01 0.00 0.00 37.83 33.44 3hwx s LYS 507 CO 0.11 -0.36 -0.17 -0.47 0.51 0.00 0.00 175.35 174.98 3hwx s TYR 508 N 0.83 2.59 -0.04 3.18 5.04 -1.26 0.10 117.35 127.79 3hwx s TYR 508 Ca 0.61 -0.24 -0.01 0.00 -2.44 0.00 0.00 57.07 55.00 3hwx s TYR 508 Cb -0.35 -1.46 0.03 0.00 0.35 0.00 0.00 41.96 40.53 3hwx s TYR 508 CO 0.32 0.28 0.07 -1.01 -1.34 0.00 0.00 175.55 173.87 3hwx s HIS 509 N -0.96 -0.04 -0.80 4.97 3.76 -0.79 -4.96 115.29 116.47 3hwx s HIS 509 Ca 0.15 0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 55.28 3hwx s HIS 509 Cb -0.11 -0.19 0.20 0.00 1.11 0.00 0.00 32.58 33.60 3hwx s HIS 509 CO 0.06 -0.12 0.68 0.50 -0.85 0.00 0.00 174.74 175.00 3hwx s ARG 510 N 1.16 3.14 0.45 1.40 3.52 -1.26 -1.89 118.95 125.47 3hwx s ARG 510 Ca -0.09 -2.86 -0.24 0.00 -0.13 0.00 0.00 55.73 52.42 3hwx s ARG 510 Cb -0.12 -4.00 -0.08 0.00 -1.56 0.00 0.00 34.95 29.19 3hwx s ARG 510 CO -0.04 -1.23 1.19 -1.25 -0.81 0.00 0.00 175.30 173.15 3hwx s PRO 511 N -0.61 3.80 0.00 5.12 0.04 -1.26 -4.96 135.00 137.13 3hwx s PRO 511 Ca 0.22 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.14 3hwx s PRO 511 Cb -0.13 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3hwx s PRO 511 CO -0.08 -0.53 0.42 1.04 0.04 0.00 0.00 177.00 177.89 3hwx n GLN 512 N -0.34 2.15 -3.99 4.56 6.02 -1.26 -4.60 117.38 119.92 3hwx n GLN 512 Ca 0.06 -0.42 -0.11 0.00 -0.01 0.00 0.00 57.00 56.52 3hwx n GLN 512 Cb 0.47 -0.90 -0.03 0.00 1.02 0.00 0.00 30.24 30.80 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 -0.72 0.36 0.21 1.08 2.20 -1.26 -5.03 114.94 111.79 3hwx s ASN 513 Ca 0.03 -1.21 -0.09 0.00 -0.94 0.00 0.00 52.86 50.65 3hwx s ASN 513 Cb 0.03 0.68 0.21 0.00 -2.00 0.00 0.00 41.25 40.17 3hwx s ASN 513 CO 0.08 -1.34 1.85 -0.50 -2.94 0.00 0.00 177.10 174.25 3hwx h TRP 514 N 2.13 0.84 -0.54 1.54 -0.00 -1.96 -1.79 115.95 116.16 3hwx h TRP 514 Ca -0.28 0.02 0.09 0.00 -0.00 0.00 0.00 58.89 58.72 3hwx h TRP 514 Cb 1.25 -0.28 -0.07 0.00 -0.00 0.00 0.00 29.16 30.06 3hwx h TRP 514 CO 1.09 0.47 0.16 0.37 -0.00 0.00 0.00 178.44 180.53 3hwx h GLN 515 N 0.87 0.31 -0.51 0.49 -0.00 -2.00 -1.34 115.11 112.93 3hwx h GLN 515 Ca 0.29 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.82 3hwx h GLN 515 Cb 0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 27.43 3hwx h GLN 515 CO -0.12 0.21 -0.10 0.93 0.00 0.00 0.00 178.83 179.74 3hwx h GLU 516 N 0.32 0.97 -0.10 1.69 5.08 -1.93 -2.74 114.58 117.86 3hwx h GLU 516 Ca 0.27 -0.36 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3hwx h GLU 516 Cb 0.34 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 3hwx h GLU 516 CO -0.31 1.03 -0.07 1.25 -1.00 0.00 0.00 179.01 179.91 3hwx h LEU 517 N 0.83 -0.24 -0.27 1.33 5.85 -0.38 -2.07 115.31 120.36 3hwx h LEU 517 Ca 0.13 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3hwx h LEU 517 Cb 0.66 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3hwx h LEU 517 CO 0.05 -0.10 0.16 -0.33 -0.34 0.00 0.00 178.44 177.87 3hwx h GLU 518 N -0.08 0.31 -0.98 1.25 5.08 -1.38 -2.16 114.58 116.62 3hwx h GLU 518 Ca 0.07 -0.02 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 3hwx h GLU 518 Cb 0.18 -0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.28 3hwx h GLU 518 CO -0.15 0.21 0.62 1.15 -1.00 0.00 0.00 179.01 179.84 3hwx h THR 519 N 0.32 0.93 -0.04 1.13 2.02 -1.36 -1.23 112.91 114.69 3hwx h THR 519 Ca 0.10 -0.33 -0.21 0.00 0.77 0.00 0.00 66.41 66.75 3hwx h THR 519 Cb -0.01 -0.12 -0.00 0.00 -1.74 0.00 0.00 68.15 66.28 3hwx h THR 519 CO -0.05 0.18 -0.84 0.00 0.37 0.00 0.00 175.52 175.18 3hwx h ALA 520 N 1.54 0.47 -0.14 6.16 0.00 -1.01 -2.85 119.26 123.43 3hwx h ALA 520 Ca 0.48 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 3hwx h ALA 520 Cb 0.48 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3hwx h ALA 520 CO -0.24 0.80 0.08 0.74 0.00 0.00 0.00 179.25 180.62 3hwx h PHE 521 N 0.25 0.20 0.00 0.00 0.04 -0.70 -2.04 116.94 114.69 3hwx h PHE 521 Ca -0.06 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.73 3hwx h PHE 521 Cb 1.45 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 39.51 3hwx h PHE 521 CO 0.05 0.21 -0.11 0.00 -0.60 0.00 0.00 178.31 177.87 3hwx h ALA 522 N 0.97 -0.12 -0.70 2.45 0.00 -1.17 0.26 119.26 120.95 3hwx h ALA 522 Ca 0.05 0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.11 3hwx h ALA 522 Cb 0.08 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.93 3hwx h ALA 522 CO -0.01 -0.60 -0.19 0.22 0.00 0.00 0.00 179.25 178.67 3hwx h ASP 523 N -0.19 -0.69 -0.54 0.00 3.58 -1.55 -2.92 116.42 114.11 3hwx h ASP 523 Ca 0.04 0.21 0.03 0.00 0.42 0.00 0.00 57.03 57.73 3hwx h ASP 523 Cb 0.23 0.45 -0.04 0.00 1.72 0.00 0.00 39.33 41.69 3hwx h ASP 523 CO -0.11 -0.24 0.31 0.00 -2.88 0.00 0.00 179.24 176.33 3hwx h ALA 524 N 1.65 0.69 0.00 -0.78 0.00 -0.23 -2.12 119.26 118.48 3hwx h ALA 524 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3hwx h ALA 524 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3hwx h ALA 524 CO -0.72 0.01 0.00 0.91 0.00 0.00 0.00 179.25 179.44 3hwx n TRP 525 N -4.81 0.00 0.14 0.00 5.03 -0.52 -3.62 117.44 113.66 3hwx n TRP 525 Ca 0.04 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.58 3hwx n TRP 525 Cb 0.10 -0.35 0.15 0.00 -1.03 0.00 0.00 31.31 30.18 3hwx n TRP 525 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3hwx h ARG 526 N 0.00 0.00 -5.86 -0.99 3.08 -1.43 -3.44 114.38 105.74 3hwx h ARG 526 Ca 0.00 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 3hwx h ARG 526 Cb 0.21 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 30.11 3hwx h ARG 526 CO 0.00 0.59 -0.75 0.95 -1.07 0.00 0.00 179.97 179.69 3hwx s THR 527 N -3.34 1.98 -1.23 2.04 -4.23 -1.24 -5.05 115.64 104.57 3hwx s THR 527 Ca 0.00 -2.20 -0.09 0.00 -1.18 0.00 0.00 61.69 58.23 3hwx s THR 527 Cb 0.11 -2.08 -0.07 0.00 1.34 0.00 0.00 72.50 71.81 3hwx s THR 527 CO 0.75 -0.46 2.46 -2.65 -0.54 0.00 0.00 174.62 174.17 3hwx n PRO 528 N -0.28 2.76 -3.75 3.99 -0.02 -1.26 -3.03 135.00 133.41 3hwx n PRO 528 Ca -0.08 -1.83 -0.11 0.00 -2.02 0.00 0.00 63.50 59.45 3hwx n PRO 528 Cb 0.59 -2.65 -0.07 0.00 -0.02 0.00 0.00 33.50 31.35 3hwx n PRO 528 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hwx s THR 529 N 2.96 0.09 -0.19 3.45 -4.23 -1.26 -4.34 115.64 112.12 3hwx s THR 529 Ca 0.53 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 60.08 3hwx s THR 529 Cb 0.14 -1.06 -0.02 0.00 1.34 0.00 0.00 72.50 72.90 3hwx s THR 529 CO -0.04 -0.41 0.65 -0.89 -0.54 0.00 0.00 174.62 173.39 3hwx s THR 530 N -3.02 5.00 -0.14 3.99 2.01 -1.25 -2.56 115.64 119.67 3hwx s THR 530 Ca -0.02 1.24 -0.05 0.00 0.31 0.00 0.00 61.69 63.17 3hwx s THR 530 Cb 0.01 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.51 3hwx s THR 530 CO -0.06 0.10 0.03 -0.89 -0.69 0.00 0.00 174.62 173.11 3hwx s THR 531 N 1.95 4.57 -0.42 -0.82 2.01 -0.54 -3.87 115.64 118.52 3hwx s THR 531 Ca 0.30 -0.13 -0.12 0.00 0.31 0.00 0.00 61.69 62.05 3hwx s THR 531 Cb -0.16 -3.00 0.06 0.00 0.01 0.00 0.00 72.50 69.41 3hwx s THR 531 CO 0.11 0.54 0.28 -0.69 -0.69 0.00 0.00 174.62 174.16 3hwx s VAL 532 N -0.24 4.65 -0.38 3.82 1.01 0.11 -0.52 120.40 128.86 3hwx s VAL 532 Ca 0.07 -1.10 -0.13 0.00 0.00 0.00 0.00 61.98 60.82 3hwx s VAL 532 Cb -0.12 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3hwx s VAL 532 CO 0.02 -0.43 0.25 -0.63 0.00 0.00 0.00 175.10 174.31 3hwx s ILE 533 N 1.53 5.02 -0.50 2.22 1.01 0.17 -1.89 121.20 128.76 3hwx s ILE 533 Ca 0.03 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.90 3hwx s ILE 533 Cb -0.22 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.59 3hwx s ILE 533 CO 0.05 -0.20 0.52 -0.70 0.00 0.00 0.00 174.94 174.62 3hwx s GLU 534 N 1.65 3.04 -0.37 2.79 2.12 -0.79 0.08 118.70 127.22 3hwx s GLU 534 Ca 0.04 -1.19 -0.20 0.00 0.36 0.00 0.00 54.97 53.99 3hwx s GLU 534 Cb -0.19 -4.14 0.00 0.00 0.26 0.00 0.00 34.13 30.07 3hwx s GLU 534 CO 0.09 -1.17 0.59 1.41 -0.54 0.00 0.00 175.26 175.64 3hwx s MET 535 N 2.12 3.57 -0.18 4.30 -2.45 -0.22 -4.02 119.30 122.43 3hwx s MET 535 Ca 0.09 -0.12 -0.22 0.00 -1.25 0.00 0.00 55.69 54.19 3hwx s MET 535 Cb -0.23 -3.84 -0.02 0.00 1.25 0.00 0.00 34.83 31.99 3hwx s MET 535 CO 0.08 -0.75 0.70 0.08 1.05 0.00 0.00 175.02 176.18 3hwx s VAL 536 N 2.60 4.97 0.06 10.11 1.01 -1.26 -1.08 120.40 136.80 3hwx s VAL 536 Ca 0.22 1.35 0.04 0.00 0.00 0.00 0.00 61.98 63.58 3hwx s VAL 536 Cb -0.15 -4.01 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 3hwx s VAL 536 CO 0.15 0.09 -0.12 0.68 0.00 0.00 0.00 175.10 175.89 3hwx s VAL 537 N 1.95 0.93 0.51 2.92 -7.23 -1.09 -4.97 120.40 113.42 3hwx s VAL 537 Ca 0.32 -1.23 -0.23 0.00 -1.81 0.00 0.00 61.98 59.03 3hwx s VAL 537 Cb -0.16 -0.93 -0.07 0.00 0.56 0.00 0.00 36.38 35.79 3hwx s VAL 537 CO 0.11 -0.27 1.34 0.59 -0.31 0.00 0.00 175.10 176.56 3hwx n ASN 538 N 1.35 2.69 0.03 4.85 3.02 -1.26 -4.36 115.26 121.57 3hwx n ASN 538 Ca -0.22 1.02 -0.13 0.00 -0.03 0.00 0.00 54.58 55.23 3hwx n ASN 538 Cb 0.54 -1.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.09 3hwx n ASN 538 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 3hwx h ASP 539 N 1.69 -1.28 0.48 6.41 3.04 -1.92 -3.28 116.42 121.55 3hwx h ASP 539 Ca -0.50 0.16 0.00 0.00 -3.24 0.00 0.00 57.03 53.45 3hwx h ASP 539 Cb 1.30 0.51 0.00 0.00 -1.04 0.00 0.00 39.33 40.10 3hwx h ASP 539 CO 0.58 -0.44 -0.65 0.35 -2.04 0.00 0.00 179.24 177.04 3hwx n THR 540 N -5.44 0.07 0.12 1.15 -2.24 -1.26 -4.57 114.28 102.11 3hwx n THR 540 Ca -0.05 -0.07 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 3hwx n THR 540 Cb 0.36 0.28 -0.09 0.00 -2.10 0.00 0.00 70.33 68.78 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 0.00 -1.44 -0.73 3.42 3.32 -1.96 -1.36 116.42 117.67 3hwx h ASP 541 Ca 0.00 0.15 0.09 0.00 0.02 0.00 0.00 57.03 57.29 3hwx h ASP 541 Cb 0.57 0.53 -0.07 0.00 0.22 0.00 0.00 39.33 40.58 3hwx h ASP 541 CO 0.00 -0.54 0.38 1.23 -1.72 0.00 0.00 179.24 178.60 3hwx h GLY 542 N -0.72 1.10 1.00 2.75 0.00 -1.83 0.29 103.07 105.66 3hwx h GLY 542 Ca 0.01 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.07 3hwx h GLY 542 CO -0.26 0.09 -0.12 0.00 0.00 0.00 0.00 176.54 176.25 3hwx h ALA 543 N 1.42 -0.34 -0.67 3.60 0.00 -1.77 -1.74 119.26 119.76 3hwx h ALA 543 Ca 0.35 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3hwx h ALA 543 Cb 0.33 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 3hwx h ALA 543 CO -0.25 -0.69 0.35 1.96 0.00 0.00 0.00 179.25 180.62 3hwx h GLN 544 N -0.34 0.61 -0.20 0.00 4.20 -0.94 -2.60 115.11 115.84 3hwx h GLN 544 Ca -0.03 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 3hwx h GLN 544 Cb 0.26 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 3hwx h GLN 544 CO 0.06 0.40 -0.02 1.15 -0.67 0.00 0.00 178.83 179.75 3hwx h THR 545 N 0.63 1.14 -0.15 -0.54 2.02 -0.04 0.27 112.91 116.25 3hwx h THR 545 Ca 0.31 -0.56 -0.05 0.00 0.77 0.00 0.00 66.41 66.88 3hwx h THR 545 Cb 0.26 1.02 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 3hwx h THR 545 CO -0.22 0.19 -0.09 0.25 0.37 0.00 0.00 175.52 176.02 3hwx h LEU 546 N 0.29 0.33 -0.61 2.58 5.85 -1.00 -2.82 115.31 119.93 3hwx h LEU 546 Ca 0.07 -0.43 0.03 0.00 0.84 0.00 0.00 57.88 58.38 3hwx h LEU 546 Cb 0.24 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3hwx h LEU 546 CO 0.01 0.69 0.37 1.56 -0.34 0.00 0.00 178.44 180.73 3hwx h GLN 547 N -0.03 0.72 0.05 1.25 4.20 -0.26 0.15 115.11 121.18 3hwx h GLN 547 Ca 0.03 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 3hwx h GLN 547 Cb 0.57 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3hwx h GLN 547 CO 0.02 0.47 -0.02 1.96 -0.67 0.00 0.00 178.83 180.60 3hwx h GLN 548 N 0.74 -0.06 -0.14 1.46 4.20 -0.68 0.29 115.11 120.92 3hwx h GLN 548 Ca 0.24 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 3hwx h GLN 548 Cb 0.02 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hwx h GLN 548 CO -0.10 0.03 -0.06 -0.07 -0.67 0.00 0.00 178.83 177.97 3hwx h LEU 549 N -0.14 0.19 0.18 1.46 3.38 -1.25 0.27 115.31 119.41 3hwx h LEU 549 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3hwx h LEU 549 Cb 0.12 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hwx h LEU 549 CO 0.01 0.28 -0.09 0.25 0.09 0.00 0.00 178.44 178.99 3hwx h LEU 550 N 0.21 -0.21 -1.70 1.67 7.12 -0.31 -2.06 115.31 120.03 3hwx h LEU 550 Ca 0.05 -0.16 -0.03 0.00 0.13 0.00 0.00 57.88 57.86 3hwx h LEU 550 Cb 0.24 0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.42 3hwx h LEU 550 CO 0.01 0.05 -0.14 0.00 -0.13 0.00 0.00 178.44 178.23 3hwx h ALA 551 N 0.31 1.75 0.02 1.25 0.00 -0.68 -2.72 119.26 119.19 3hwx h ALA 551 Ca -0.02 -0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.50 3hwx h ALA 551 Cb 0.36 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3hwx h ALA 551 CO 0.04 0.19 -1.02 0.37 0.00 0.00 0.00 179.25 178.83 3hwx h GLN 552 N 0.02 0.50 0.00 0.00 4.15 -0.89 -3.09 115.11 115.80 3hwx h GLN 552 Ca 0.00 -0.57 -0.04 0.00 0.77 0.00 0.00 58.65 58.82 3hwx h GLN 552 Cb 0.26 0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 3hwx h GLN 552 CO 0.02 1.20 -0.19 0.28 -1.93 0.00 0.00 178.83 178.21 3hwx h VAL 553 N 0.27 0.38 0.00 2.39 2.07 -1.29 -3.19 116.25 116.88 3hwx h VAL 553 Ca -0.11 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.11 3hwx h VAL 553 Cb 1.67 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 33.37 3hwx h VAL 553 CO 0.18 0.19 -0.34 0.77 0.02 0.00 0.00 177.57 178.39 3hwx h SER 554 N 0.00 0.00 -0.26 0.57 4.64 -1.41 -2.99 113.55 114.11 3hwx h SER 554 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hwx h SER 554 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3hwx h SER 554 CO 0.02 0.34 0.00 1.41 -0.87 0.00 0.00 176.83 177.73 3hwx n HIS 555 N -3.28 0.64 1.87 4.77 8.25 -1.19 -4.63 115.22 121.65 3hwx n HIS 555 Ca 0.02 -0.25 0.15 0.00 -0.26 0.00 0.00 57.72 57.38 3hwx n HIS 555 Cb 0.60 -0.15 0.89 0.00 1.12 0.00 0.00 29.99 32.45 3hwx n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26