#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hwi h ASP 5 N 0.00 0.00 0.00 0.00 3.32 -1.99 -3.35 116.42 114.40 3hwi h ASP 5 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hwi h ASP 5 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 3hwi h ASP 5 CO 0.00 0.44 0.00 1.33 -1.72 0.00 0.00 179.24 179.29 3hwi n VAL 6 N -3.89 0.00 -3.83 -1.35 0.24 -0.97 -4.76 118.33 103.76 3hwi n VAL 6 Ca -0.01 -0.44 -0.13 0.00 -2.04 0.00 0.00 64.34 61.72 3hwi n VAL 6 Cb 0.48 1.11 -0.14 0.00 -1.47 0.00 0.00 33.84 33.82 3hwi n VAL 6 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 3hwi s LEU 7 N -0.20 1.61 0.08 1.34 2.96 -0.95 -1.66 118.68 121.86 3hwi s LEU 7 Ca 0.00 0.07 0.08 0.00 -0.22 0.00 0.00 54.13 54.06 3hwi s LEU 7 Cb 0.00 0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.74 3hwi s LEU 7 CO 0.00 -0.05 -0.22 0.68 -1.32 0.00 0.00 176.35 175.44 3hwi s VAL 8 N 0.35 1.78 0.66 1.68 -7.23 -0.45 -4.48 120.40 112.72 3hwi s VAL 8 Ca -0.03 -1.41 -0.11 0.00 -1.81 0.00 0.00 61.98 58.62 3hwi s VAL 8 Cb -0.04 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.31 3hwi s VAL 8 CO -0.01 0.10 1.05 -0.94 -0.31 0.00 0.00 175.10 174.99 3hwi s SER 9 N -1.57 5.81 0.25 4.85 1.04 -1.26 -0.65 113.70 122.18 3hwi s SER 9 Ca 0.08 1.41 0.06 0.00 0.48 0.00 0.00 55.95 57.98 3hwi s SER 9 Cb -0.09 -2.36 0.30 0.00 0.10 0.00 0.00 66.02 63.97 3hwi s SER 9 CO 0.03 -1.14 1.59 0.00 0.98 0.00 0.00 173.24 174.70 3hwi h ALA 10 N -0.51 0.92 -0.20 5.32 0.00 -1.94 -0.79 119.26 122.06 3hwi h ALA 10 Ca -0.44 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 3hwi h ALA 10 Cb 1.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3hwi h ALA 10 CO 0.61 0.72 0.03 0.22 0.00 0.00 0.00 179.25 180.83 3hwi h ASP 11 N 0.13 0.32 -0.74 0.00 3.58 -1.97 -1.55 116.42 116.18 3hwi h ASP 11 Ca -0.00 -0.27 0.05 0.00 0.42 0.00 0.00 57.03 57.23 3hwi h ASP 11 Cb 1.07 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.98 3hwi h ASP 11 CO 0.09 0.50 0.45 -0.25 -2.88 0.00 0.00 179.24 177.15 3hwi h TRP 12 N 0.11 0.83 -0.06 0.28 7.01 -1.89 -2.92 115.95 119.32 3hwi h TRP 12 Ca 0.06 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3hwi h TRP 12 Cb 0.33 -0.26 -0.00 0.00 -2.10 0.00 0.00 29.16 27.12 3hwi h TRP 12 CO 0.02 0.43 0.03 0.00 -2.79 0.00 0.00 178.44 176.13 3hwi h ALA 13 N 1.35 0.08 -0.79 2.65 0.00 -0.95 -2.56 119.26 119.03 3hwi h ALA 13 Ca 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3hwi h ALA 13 Cb 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3hwi h ALA 13 CO -0.16 -0.38 0.43 1.49 0.00 0.00 0.00 179.25 180.63 3hwi h GLU 14 N 0.00 1.10 0.00 0.00 4.81 -1.27 0.11 114.58 119.34 3hwi h GLU 14 Ca 0.02 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3hwi h GLU 14 Cb 0.08 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.25 3hwi h GLU 14 CO -0.00 0.81 0.00 0.43 -0.73 0.00 0.00 179.01 179.51 3hwi n SER 15 N -4.35 0.40 -0.47 1.04 7.64 -1.08 -3.69 113.62 113.11 3hwi n SER 15 Ca 0.08 0.63 0.07 0.00 1.01 0.00 0.00 58.87 60.65 3hwi n SER 15 Cb 0.10 -0.70 0.13 0.00 -1.01 0.00 0.00 64.21 62.73 3hwi n SER 15 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3hwi n ASN 16 N -1.97 1.65 0.21 6.43 3.02 0.36 -4.74 115.26 120.22 3hwi n ASN 16 Ca 0.01 -3.08 0.05 0.00 -0.03 0.00 0.00 54.58 51.53 3hwi n ASN 16 Cb 0.14 -0.42 0.45 0.00 -0.61 0.00 0.00 39.78 39.34 3hwi n ASN 16 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3hwi h LEU 17 N 0.44 0.00 -3.77 3.41 3.38 -1.54 -2.89 115.31 114.35 3hwi h LEU 17 Ca -0.03 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.65 3hwi h LEU 17 Cb 1.16 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.61 3hwi h LEU 17 CO 0.01 0.29 -0.81 1.41 0.09 0.00 0.00 178.44 179.43 3hwi n HIS 18 N -3.99 1.40 -3.10 1.13 8.25 -1.26 -4.92 115.22 112.73 3hwi n HIS 18 Ca -0.02 -1.80 -0.34 0.00 -0.26 0.00 0.00 57.72 55.30 3hwi n HIS 18 Cb 0.36 -0.27 -0.06 0.00 1.12 0.00 0.00 29.99 31.13 3hwi n HIS 18 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hwi s ALA 19 N -3.11 3.32 0.08 -1.41 0.00 -1.09 -5.01 121.76 114.53 3hwi s ALA 19 Ca 0.41 0.11 -0.36 0.00 0.00 0.00 0.00 51.96 52.12 3hwi s ALA 19 Cb 0.38 -2.82 -0.15 0.00 0.00 0.00 0.00 23.12 20.53 3hwi s ALA 19 CO -0.03 0.31 1.51 -2.30 0.00 0.00 0.00 175.76 175.25 3hwi n PRO 20 N -0.08 1.65 -2.86 0.00 -0.02 -1.26 -2.71 135.00 129.71 3hwi n PRO 20 Ca 0.02 0.60 -0.21 0.00 -2.02 0.00 0.00 63.50 61.89 3hwi n PRO 20 Cb 0.53 -2.31 0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3hwi n PRO 20 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3hwi n LYS 21 N 3.43 -4.06 -4.41 -0.52 5.02 -1.26 -4.95 118.16 111.42 3hwi n LYS 21 Ca 0.19 0.88 -0.24 0.00 -2.02 0.00 0.00 58.31 57.11 3hwi n LYS 21 Cb 0.23 -5.60 -0.17 0.00 -0.02 0.00 0.00 35.03 29.48 3hwi n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hwi s VAL 22 N -3.12 1.03 -0.02 -0.18 1.01 -1.10 0.19 120.40 118.22 3hwi s VAL 22 Ca 0.23 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.84 3hwi s VAL 22 Cb -0.10 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.31 3hwi s VAL 22 CO 0.29 0.34 -0.06 0.54 0.00 0.00 0.00 175.10 176.20 3hwi s VAL 23 N 0.88 0.58 -0.13 2.92 0.11 -0.25 -4.71 120.40 119.81 3hwi s VAL 23 Ca -0.11 -0.25 -0.10 0.00 -2.93 0.00 0.00 61.98 58.60 3hwi s VAL 23 Cb -0.15 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.12 3hwi s VAL 23 CO 0.01 0.19 0.19 -0.36 -3.33 0.00 0.00 175.10 171.81 3hwi s PHE 24 N 0.25 3.55 -0.09 1.54 0.40 -1.26 -0.53 117.98 121.84 3hwi s PHE 24 Ca -0.03 0.55 -0.01 0.00 -0.60 0.00 0.00 56.93 56.84 3hwi s PHE 24 Cb -0.08 -2.10 0.03 0.00 0.51 0.00 0.00 43.02 41.37 3hwi s PHE 24 CO 0.00 0.53 -0.04 0.08 0.70 0.00 0.00 175.22 176.49 3hwi s VAL 25 N -0.44 0.71 -0.20 -0.44 1.01 -0.02 -1.09 120.40 119.94 3hwi s VAL 25 Ca 0.15 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 3hwi s VAL 25 Cb -0.12 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3hwi s VAL 25 CO 0.04 0.31 0.47 -0.70 0.00 0.00 0.00 175.10 175.21 3hwi s GLU 26 N 1.68 4.18 -0.17 2.72 2.12 0.70 -2.44 118.70 127.49 3hwi s GLU 26 Ca 0.02 0.33 -0.02 0.00 0.36 0.00 0.00 54.97 55.66 3hwi s GLU 26 Cb -0.13 -3.55 0.05 0.00 0.26 0.00 0.00 34.13 30.77 3hwi s GLU 26 CO -0.06 -0.10 0.02 0.08 -0.54 0.00 0.00 175.26 174.66 3hwi s VAL 27 N 1.49 0.58 -0.00 3.70 1.01 -0.29 -2.09 120.40 124.80 3hwi s VAL 27 Ca 0.22 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.72 3hwi s VAL 27 Cb -0.15 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.23 3hwi s VAL 27 CO 0.09 -0.11 -0.02 -0.62 0.00 0.00 0.00 175.10 174.44 3hwi s ASP 28 N 1.84 0.25 0.29 3.32 -1.08 -1.26 -2.92 116.67 117.11 3hwi s ASP 28 Ca -0.00 -0.04 0.03 0.00 -0.52 0.00 0.00 52.55 52.03 3hwi s ASP 28 Cb -0.16 -0.03 0.73 0.00 -1.46 0.00 0.00 42.92 41.99 3hwi s ASP 28 CO -0.07 0.02 1.68 -0.08 0.52 0.00 0.00 175.17 177.24 3hwi h GLU 29 N 6.12 0.34 -6.21 4.34 4.81 -1.93 -3.26 114.58 118.80 3hwi h GLU 29 Ca -0.26 -0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.38 3hwi h GLU 29 Cb 1.20 -0.08 -0.09 0.00 0.63 0.00 0.00 28.75 30.41 3hwi h GLU 29 CO 0.51 0.22 1.28 0.34 -0.73 0.00 0.00 179.01 180.63 3hwi s ASP 30 N -5.15 6.34 0.00 1.04 2.15 -1.26 -4.86 116.67 114.93 3hwi s ASP 30 Ca -0.12 -0.99 0.13 0.00 0.43 0.00 0.00 52.55 52.01 3hwi s ASP 30 Cb 0.25 -2.56 0.65 0.00 -0.30 0.00 0.00 42.92 40.97 3hwi s ASP 30 CO 0.78 -1.66 1.34 0.35 -0.17 0.00 0.00 175.17 175.80 3hwi n THR 31 N 6.63 0.66 0.99 1.71 -2.24 -1.23 -2.26 114.28 118.55 3hwi n THR 31 Ca 0.19 0.17 0.10 0.00 -2.27 0.00 0.00 64.05 62.24 3hwi n THR 31 Cb 0.50 -0.95 -0.07 0.00 -2.10 0.00 0.00 70.33 67.71 3hwi n THR 31 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3hwi n SER 32 N -1.29 1.47 -0.11 3.42 3.41 -1.26 -4.42 113.62 114.84 3hwi n SER 32 Ca 0.06 -1.24 0.01 0.00 -0.26 0.00 0.00 58.87 57.45 3hwi n SER 32 Cb 0.11 0.76 0.31 0.00 -0.26 0.00 0.00 64.21 65.12 3hwi n SER 32 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hwi h ALA 33 N 3.39 1.52 -0.81 7.33 0.00 -1.82 -2.77 119.26 126.10 3hwi h ALA 33 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hwi h ALA 33 Cb 0.62 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3hwi h ALA 33 CO 0.00 0.42 0.41 -0.92 0.00 0.00 0.00 179.25 179.15 3hwi h TYR 34 N 0.79 1.16 -0.36 0.00 3.20 -1.77 -2.42 116.97 117.56 3hwi h TYR 34 Ca 0.21 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.07 3hwi h TYR 34 Cb -0.02 -0.36 -0.04 0.00 1.54 0.00 0.00 36.73 37.85 3hwi h TYR 34 CO 0.00 0.83 0.14 -0.44 -1.64 0.00 0.00 178.16 177.05 3hwi h ASP 35 N 1.15 0.16 0.42 -2.11 3.32 -1.75 -3.01 116.42 114.59 3hwi h ASP 35 Ca 0.28 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 3hwi h ASP 35 Cb 0.09 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3hwi h ASP 35 CO -0.04 0.13 -0.20 0.03 -1.72 0.00 0.00 179.24 177.44 3hwi h ARG 36 N 0.30 -0.54 -2.66 3.56 3.08 -1.51 -3.47 114.38 113.13 3hwi h ARG 36 Ca 0.16 0.04 0.12 0.00 0.07 0.00 0.00 59.98 60.37 3hwi h ARG 36 Cb 0.13 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 3hwi h ARG 36 CO -0.16 -0.34 0.38 0.16 -1.07 0.00 0.00 179.97 178.94 3hwi s ASP 37 N -4.72 -0.16 0.09 7.04 1.47 -0.93 -4.46 116.67 115.01 3hwi s ASP 37 Ca -0.16 -0.60 -0.27 0.00 1.18 0.00 0.00 52.55 52.70 3hwi s ASP 37 Cb 0.04 0.62 0.09 0.00 -0.34 0.00 0.00 42.92 43.32 3hwi s ASP 37 CO 0.63 -1.16 1.10 -1.38 0.68 0.00 0.00 175.17 175.03 3hwi s HIS 38 N -3.25 -0.07 0.28 2.11 -3.43 0.15 -3.90 115.29 107.19 3hwi s HIS 38 Ca 0.13 -0.17 -0.29 0.00 -0.80 0.00 0.00 55.06 53.93 3hwi s HIS 38 Cb -0.04 0.61 -0.10 0.00 -1.43 0.00 0.00 32.58 31.63 3hwi s HIS 38 CO 0.05 -0.63 1.26 0.42 -2.00 0.00 0.00 174.74 173.85 3hwi s ILE 39 N -2.81 3.03 0.01 -5.38 1.01 -1.26 0.12 121.20 115.91 3hwi s ILE 39 Ca 0.15 0.97 -0.34 0.00 0.00 0.00 0.00 60.65 61.43 3hwi s ILE 39 Cb 0.01 -3.62 -0.12 0.00 0.01 0.00 0.00 42.46 38.74 3hwi s ILE 39 CO 0.00 0.21 1.79 0.00 0.00 0.00 0.00 174.94 176.94 3hwi n ALA 40 N 1.45 1.13 -0.24 9.38 0.00 -1.26 -1.67 120.51 129.30 3hwi n ALA 40 Ca 0.02 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.79 3hwi n ALA 40 Cb 0.43 -2.47 0.00 0.00 0.00 0.00 0.00 19.45 17.41 3hwi n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwi n GLY 41 N 4.10 1.23 3.77 0.00 0.00 -1.26 -4.94 105.19 108.09 3hwi n GLY 41 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 3hwi n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwi s ALA 42 N -2.78 2.92 0.47 4.61 0.00 -0.67 -4.68 121.76 121.63 3hwi s ALA 42 Ca 0.00 0.86 0.05 0.00 0.00 0.00 0.00 51.96 52.86 3hwi s ALA 42 Cb 0.00 -3.35 0.05 0.00 0.00 0.00 0.00 23.12 19.81 3hwi s ALA 42 CO 0.00 -0.60 0.39 0.44 0.00 0.00 0.00 175.76 175.98 3hwi n ILE 43 N -0.65 0.00 -4.55 0.00 -5.35 -0.25 -4.77 119.36 103.80 3hwi n ILE 43 Ca 0.08 -1.84 -0.22 0.00 -0.27 0.00 0.00 62.75 60.50 3hwi n ILE 43 Cb 0.49 -0.14 -0.14 0.00 -1.74 0.00 0.00 39.64 38.11 3hwi n ILE 43 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3hwi s LYS 44 N -3.96 1.13 0.03 6.28 2.20 -1.26 -0.21 119.74 123.94 3hwi s LYS 44 Ca 0.29 -0.69 0.07 0.00 -0.36 0.00 0.00 55.97 55.28 3hwi s LYS 44 Cb -0.02 -1.13 -0.03 0.00 -1.51 0.00 0.00 37.83 35.13 3hwi s LYS 44 CO 0.19 0.30 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.79 3hwi s LEU 45 N -0.80 2.63 -0.29 5.43 1.43 -0.89 -4.90 118.68 121.29 3hwi s LEU 45 Ca 0.04 -0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 52.66 3hwi s LEU 45 Cb -0.07 -1.53 -0.01 0.00 0.03 0.00 0.00 46.19 44.61 3hwi s LEU 45 CO 0.01 0.26 0.11 -0.62 0.23 0.00 0.00 176.35 176.34 3hwi s ASP 46 N -1.40 5.31 0.43 2.29 -1.08 -1.26 -4.62 116.67 116.35 3hwi s ASP 46 Ca 0.15 -0.50 0.20 0.00 -0.52 0.00 0.00 52.55 51.87 3hwi s ASP 46 Cb -0.11 -1.95 0.98 0.00 -1.46 0.00 0.00 42.92 40.39 3hwi s ASP 46 CO 0.05 -0.15 1.89 4.11 0.52 0.00 0.00 175.17 181.59 3hwi h TRP 47 N 8.29 0.00 0.01 -5.34 5.08 -1.93 0.81 115.95 122.86 3hwi h TRP 47 Ca -0.33 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.64 3hwi h TRP 47 Cb 1.15 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.31 3hwi h TRP 47 CO 0.64 0.27 -0.00 0.00 -1.28 0.00 0.00 178.44 178.07 3hwi h ARG 48 N 0.00 -0.01 0.00 0.12 3.08 -1.94 -3.32 114.38 112.31 3hwi h ARG 48 Ca -0.00 0.00 -0.27 0.00 0.07 0.00 0.00 59.98 59.78 3hwi h ARG 48 Cb 0.59 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.59 3hwi h ARG 48 CO 0.04 0.58 -2.06 0.25 -1.07 0.00 0.00 179.97 177.71 3hwi n THR 49 N -4.69 1.19 -0.01 2.04 -2.24 -1.20 -3.89 114.28 105.48 3hwi n THR 49 Ca -0.06 -0.77 -0.17 0.00 -2.27 0.00 0.00 64.05 60.78 3hwi n THR 49 Cb 0.29 -0.53 -0.14 0.00 -2.10 0.00 0.00 70.33 67.84 3hwi n THR 49 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hwi n ASP 50 N -2.75 1.66 -0.60 3.42 8.00 0.23 -4.60 116.55 121.91 3hwi n ASP 50 Ca -0.22 0.26 0.08 0.00 0.71 0.00 0.00 54.79 55.62 3hwi n ASP 50 Cb 1.00 -0.54 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3hwi n ASP 50 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3hwi n LEU 51 N -3.31 2.23 -4.51 0.64 4.77 -0.90 -4.86 117.00 111.05 3hwi n LEU 51 Ca -0.27 -0.96 -0.32 0.00 -0.03 0.00 0.00 56.01 54.43 3hwi n LEU 51 Cb 1.05 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 42.02 3hwi n LEU 51 CO 0.43 0.40 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.35 3hwi s GLN 52 N -1.44 2.43 0.26 3.23 -0.21 -1.25 -3.53 119.66 119.14 3hwi s GLN 52 Ca 0.18 -0.76 -0.31 0.00 0.02 0.00 0.00 55.36 54.49 3hwi s GLN 52 Cb 0.13 -2.38 -0.13 0.00 1.00 0.00 0.00 33.01 31.63 3hwi s GLN 52 CO 0.24 0.60 1.41 -3.47 -2.12 0.00 0.00 175.29 171.95 3hwi n ASP 53 N 1.89 2.87 0.24 5.90 -0.08 0.51 -4.76 116.55 123.12 3hwi n ASP 53 Ca -0.16 1.15 0.16 0.00 -1.51 0.00 0.00 54.79 54.43 3hwi n ASP 53 Cb 0.52 -1.45 0.67 0.00 2.34 0.00 0.00 41.12 43.20 3hwi n ASP 53 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3hwi h PRO 54 N 4.06 0.00 0.00 -0.67 0.13 -1.92 -3.40 132.00 130.21 3hwi h PRO 54 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hwi h PRO 54 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3hwi h PRO 54 CO 0.74 0.00 -0.27 0.28 -0.23 0.00 0.00 178.00 178.53 3hwi n VAL 55 N -2.87 0.97 -2.21 1.56 0.31 -1.26 -5.05 118.33 109.79 3hwi n VAL 55 Ca 0.01 0.28 -0.29 0.00 -0.01 0.00 0.00 64.34 64.33 3hwi n VAL 55 Cb 0.27 -1.68 0.02 0.00 -0.91 0.00 0.00 33.84 31.54 3hwi n VAL 55 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3hwi s LYS 56 N -1.97 3.23 -0.96 5.55 -2.85 -1.26 -4.98 119.74 116.50 3hwi s LYS 56 Ca -0.08 0.34 -0.24 0.00 -1.00 0.00 0.00 55.97 55.00 3hwi s LYS 56 Cb 0.01 -2.19 0.04 0.00 -2.06 0.00 0.00 37.83 33.63 3hwi s LYS 56 CO 0.11 -0.62 1.47 0.50 0.10 0.00 0.00 175.35 176.91 3hwi s ARG 57 N -5.06 3.44 0.12 1.78 3.52 -1.26 -4.42 118.95 117.07 3hwi s ARG 57 Ca 0.53 -0.89 -0.26 0.00 -0.13 0.00 0.00 55.73 54.98 3hwi s ARG 57 Cb -0.11 -5.14 0.07 0.00 -1.56 0.00 0.00 34.95 28.22 3hwi s ARG 57 CO 0.49 -2.29 0.96 0.34 -0.81 0.00 0.00 175.30 173.98 3hwi s ASP 58 N 5.06 -0.20 0.79 -2.12 -1.08 -1.26 -5.05 116.67 112.80 3hwi s ASP 58 Ca 0.46 -0.33 -0.09 0.00 -0.52 0.00 0.00 52.55 52.08 3hwi s ASP 58 Cb -0.02 0.46 0.11 0.00 -1.46 0.00 0.00 42.92 42.01 3hwi s ASP 58 CO -0.05 -0.83 1.12 -0.36 0.52 0.00 0.00 175.17 175.56 3hwi s PHE 59 N -3.22 2.35 0.46 -5.34 0.08 -1.26 -0.36 117.98 110.68 3hwi s PHE 59 Ca 0.11 0.33 -0.12 0.00 0.12 0.00 0.00 56.93 57.36 3hwi s PHE 59 Cb -0.01 -3.45 -0.07 0.00 -0.57 0.00 0.00 43.02 38.92 3hwi s PHE 59 CO 0.00 -1.84 0.87 0.14 -0.10 0.00 0.00 175.22 174.29 3hwi s VAL 60 N -3.45 4.69 0.83 -0.44 -7.23 -1.23 -4.23 120.40 109.35 3hwi s VAL 60 Ca 0.65 0.84 -0.14 0.00 -1.81 0.00 0.00 61.98 61.52 3hwi s VAL 60 Cb -0.08 -3.74 0.19 0.00 0.56 0.00 0.00 36.38 33.31 3hwi s VAL 60 CO 0.47 -0.64 1.12 -0.90 -0.31 0.00 0.00 175.10 174.84 3hwi n ASP 61 N -1.55 0.10 -0.34 4.85 5.68 -1.26 -4.76 116.55 119.27 3hwi n ASP 61 Ca 0.04 -1.42 -0.01 0.00 -0.50 0.00 0.00 54.79 52.90 3hwi n ASP 61 Cb 0.54 -0.86 0.14 0.00 -1.14 0.00 0.00 41.12 39.80 3hwi n ASP 61 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hwi h ALA 62 N -1.81 1.32 -0.25 2.12 0.00 -1.96 -0.34 119.26 118.34 3hwi h ALA 62 Ca -0.36 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.33 3hwi h ALA 62 Cb 1.00 -0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3hwi h ALA 62 CO 0.26 0.63 -0.45 0.37 0.00 0.00 0.00 179.25 180.06 3hwi h GLN 63 N 1.29 0.74 -0.54 0.00 5.75 -1.93 0.29 115.11 120.71 3hwi h GLN 63 Ca 0.35 -0.47 -0.09 0.00 -0.15 0.00 0.00 58.65 58.29 3hwi h GLN 63 Cb -0.15 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3hwi h GLN 63 CO -0.08 1.09 -0.04 1.96 -2.65 0.00 0.00 178.83 179.12 3hwi h GLN 64 N 0.48 0.96 -0.44 1.69 4.20 -1.84 -0.21 115.11 119.95 3hwi h GLN 64 Ca 0.01 -0.30 -0.07 0.00 0.06 0.00 0.00 58.65 58.35 3hwi h GLN 64 Cb 1.05 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 3hwi h GLN 64 CO 0.10 0.97 0.01 0.35 -0.67 0.00 0.00 178.83 179.59 3hwi h PHE 65 N 0.87 0.84 -0.70 2.96 3.57 -1.05 0.65 116.94 124.08 3hwi h PHE 65 Ca 0.15 -0.14 0.05 0.00 3.53 0.00 0.00 57.97 61.56 3hwi h PHE 65 Cb 0.56 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 3hwi h PHE 65 CO 0.04 0.82 0.42 0.77 -2.23 0.00 0.00 178.31 178.12 3hwi h SER 66 N 0.61 0.66 -0.33 0.41 0.02 -0.63 -1.85 113.55 112.43 3hwi h SER 66 Ca 0.13 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 3hwi h SER 66 Cb 0.48 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 3hwi h SER 66 CO 0.02 0.44 -0.14 0.50 -1.14 0.00 0.00 176.83 176.51 3hwi h LYS 67 N 0.79 0.68 0.11 3.45 3.64 -0.90 -0.95 116.57 123.39 3hwi h LYS 67 Ca 0.30 -0.29 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3hwi h LYS 67 Cb 0.11 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3hwi h LYS 67 CO -0.15 0.88 -0.30 1.25 -2.27 0.00 0.00 179.45 178.87 3hwi h LEU 68 N 0.46 -0.85 -0.63 5.20 5.85 -0.57 -0.99 115.31 123.78 3hwi h LEU 68 Ca 0.08 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.81 3hwi h LEU 68 Cb 0.67 0.32 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3hwi h LEU 68 CO 0.04 -0.38 0.06 -0.07 -0.34 0.00 0.00 178.44 177.75 3hwi h LEU 69 N -0.51 1.04 -0.25 2.25 4.07 -1.34 -0.81 115.31 119.76 3hwi h LEU 69 Ca 0.03 -0.28 0.06 0.00 0.08 0.00 0.00 57.88 57.77 3hwi h LEU 69 Cb 0.54 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.94 3hwi h LEU 69 CO -0.18 1.06 -0.15 0.28 -1.08 0.00 0.00 178.44 178.37 3hwi h SER 70 N 0.99 -0.50 -0.26 -0.43 0.02 -1.09 0.82 113.55 113.10 3hwi h SER 70 Ca 0.19 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 3hwi h SER 70 Cb 0.49 0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.28 3hwi h SER 70 CO 0.02 -0.19 0.09 -0.33 -1.14 0.00 0.00 176.83 175.28 3hwi h GLU 71 N -0.13 0.47 -0.00 3.45 5.08 -0.92 0.37 114.58 122.90 3hwi h GLU 71 Ca 0.14 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3hwi h GLU 71 Cb 0.34 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hwi h GLU 71 CO -0.33 0.43 -0.06 0.54 -1.00 0.00 0.00 179.01 178.59 3hwi n ARG 72 N -4.37 0.28 -2.34 2.33 5.12 -0.33 -4.70 116.66 112.65 3hwi n ARG 72 Ca 0.02 -0.04 -0.03 0.00 -1.93 0.00 0.00 57.85 55.86 3hwi n ARG 72 Cb 0.17 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 29.97 3hwi n ARG 72 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hwi n GLY 73 N 1.38 0.47 3.81 -0.13 0.00 -0.35 -4.56 105.19 105.82 3hwi n GLY 73 Ca 0.11 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.11 3hwi n GLY 73 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hwi s ILE 74 N -2.57 5.08 0.29 -0.61 -1.09 0.14 -4.79 121.20 117.65 3hwi s ILE 74 Ca 0.04 0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.57 3hwi s ILE 74 Cb -0.02 -3.21 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 3hwi s ILE 74 CO 0.05 0.58 -0.08 0.00 -1.23 0.00 0.00 174.94 174.26 3hwi s ALA 75 N -1.01 3.00 0.40 9.38 0.00 -1.26 -4.25 121.76 128.03 3hwi s ALA 75 Ca 0.16 -1.82 0.07 0.00 0.00 0.00 0.00 51.96 50.37 3hwi s ALA 75 Cb -0.12 -0.47 0.85 0.00 0.00 0.00 0.00 23.12 23.38 3hwi s ALA 75 CO 0.05 0.22 2.04 -0.91 0.00 0.00 0.00 175.76 177.16 3hwi h ASN 76 N 2.02 0.50 0.30 0.00 4.21 -1.95 -2.48 115.58 118.19 3hwi h ASN 76 Ca -0.42 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.08 3hwi h ASN 76 Cb 1.25 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 38.33 3hwi h ASN 76 CO 0.62 0.35 -0.27 -0.62 -1.29 0.00 0.00 177.43 176.23 3hwi n GLU 77 N -4.47 0.70 -1.91 0.81 -0.58 -1.26 -4.73 120.64 109.20 3hwi n GLU 77 Ca 0.05 -0.39 -0.37 0.00 -0.42 0.00 0.00 57.16 56.03 3hwi n GLU 77 Cb 0.10 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 29.52 3hwi n GLU 77 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3hwi s ASP 78 N -2.57 5.16 -0.24 1.62 1.01 -0.93 -4.99 116.67 115.73 3hwi s ASP 78 Ca 0.23 2.54 -0.22 0.00 0.71 0.00 0.00 52.55 55.81 3hwi s ASP 78 Cb 0.19 -2.61 -0.01 0.00 1.01 0.00 0.00 42.92 41.49 3hwi s ASP 78 CO 0.54 -1.62 0.71 -0.89 0.21 0.00 0.00 175.17 174.11 3hwi s THR 79 N -1.46 4.93 -0.18 -1.27 2.01 0.13 -4.54 115.64 115.26 3hwi s THR 79 Ca 0.76 1.31 -0.15 0.00 0.31 0.00 0.00 61.69 63.92 3hwi s THR 79 Cb -0.35 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.11 3hwi s THR 79 CO 0.39 0.00 0.35 -0.69 -0.69 0.00 0.00 174.62 173.98 3hwi s VAL 80 N 2.54 5.24 -0.26 3.82 1.01 -0.52 -1.09 120.40 131.15 3hwi s VAL 80 Ca 0.30 0.64 -0.04 0.00 0.00 0.00 0.00 61.98 62.88 3hwi s VAL 80 Cb -0.15 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3hwi s VAL 80 CO 0.08 0.31 -0.01 -0.63 0.00 0.00 0.00 175.10 174.86 3hwi s ILE 81 N 0.96 3.37 -0.08 2.22 -1.09 0.31 -0.78 121.20 126.10 3hwi s ILE 81 Ca 0.18 -0.79 -0.05 0.00 -2.23 0.00 0.00 60.65 57.76 3hwi s ILE 81 Cb -0.14 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.02 3hwi s ILE 81 CO 0.07 0.21 0.13 -0.76 -1.23 0.00 0.00 174.94 173.35 3hwi s LEU 82 N 1.42 4.24 0.06 2.97 1.43 0.35 -0.84 118.68 128.30 3hwi s LEU 82 Ca 0.02 0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 3hwi s LEU 82 Cb -0.16 -2.18 0.05 0.00 0.03 0.00 0.00 46.19 43.93 3hwi s LEU 82 CO -0.02 0.36 0.47 -0.72 0.23 0.00 0.00 176.35 176.67 3hwi s TYR 83 N -1.09 -0.35 0.07 0.29 -0.85 -1.02 -0.69 117.35 113.71 3hwi s TYR 83 Ca 0.18 0.31 -0.15 0.00 -0.52 0.00 0.00 57.07 56.89 3hwi s TYR 83 Cb -0.12 0.30 0.05 0.00 0.38 0.00 0.00 41.96 42.57 3hwi s TYR 83 CO 0.08 -0.63 0.69 0.41 -1.52 0.00 0.00 175.55 174.57 3hwi n GLY 84 N 0.33 0.70 3.40 5.49 0.00 -1.26 -1.13 105.19 112.71 3hwi n GLY 84 Ca -0.18 -1.03 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 3hwi n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwi n GLY 85 N -0.49 -2.08 3.65 -0.02 0.00 -1.26 -0.22 105.19 104.78 3hwi n GLY 85 Ca 0.00 -1.61 -0.22 0.00 0.00 0.00 0.00 46.02 44.20 3hwi n GLY 85 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hwi n ASN 86 N -4.23 -2.35 -3.12 1.61 3.02 -1.26 -1.34 115.26 107.59 3hwi n ASN 86 Ca 0.15 -0.74 -0.23 0.00 -0.03 0.00 0.00 54.58 53.73 3hwi n ASN 86 Cb 0.54 -4.39 0.04 0.00 -0.61 0.00 0.00 39.78 35.36 3hwi n ASN 86 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hwi n ASN 87 N -3.04 -6.05 -2.15 6.41 3.02 -1.26 -1.87 115.26 110.32 3hwi n ASN 87 Ca -0.22 -0.33 -0.19 0.00 -0.03 0.00 0.00 54.58 53.80 3hwi n ASN 87 Cb 0.64 -4.87 -0.02 0.00 -0.61 0.00 0.00 39.78 34.92 3hwi n ASN 87 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3hwi n ASN 88 N -2.58 -5.57 -0.01 6.41 3.02 -0.45 -4.91 115.26 111.17 3hwi n ASN 88 Ca -0.09 0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.38 3hwi n ASN 88 Cb 0.61 -4.62 -0.07 0.00 -0.61 0.00 0.00 39.78 35.09 3hwi n ASN 88 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3hwi h TRP 89 N 0.00 -1.12 0.00 3.10 7.01 -1.38 0.60 115.95 124.17 3hwi h TRP 89 Ca -0.46 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 60.51 3hwi h TRP 89 Cb 1.34 0.50 -0.01 0.00 -2.10 0.00 0.00 29.16 28.89 3hwi h TRP 89 CO 0.52 -0.37 -0.35 0.74 -2.79 0.00 0.00 178.44 176.18 3hwi h PHE 90 N -0.40 0.00 0.00 2.65 -1.00 -1.82 -3.12 116.94 113.25 3hwi h PHE 90 Ca 0.02 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.73 3hwi h PHE 90 Cb 0.47 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.02 3hwi h PHE 90 CO -0.55 0.35 -0.34 0.00 -1.61 0.00 0.00 178.31 176.17 3hwi h ALA 91 N 1.65 1.38 0.00 2.45 0.00 -1.30 -1.04 119.26 122.39 3hwi h ALA 91 Ca -0.00 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 3hwi h ALA 91 Cb 1.17 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 3hwi h ALA 91 CO 0.05 0.42 -0.41 0.00 0.00 0.00 0.00 179.25 179.30 3hwi h ALA 92 N 1.66 1.21 -0.17 0.00 0.00 -0.83 -1.25 119.26 119.88 3hwi h ALA 92 Ca -0.00 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 3hwi h ALA 92 Cb 0.62 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hwi h ALA 92 CO 0.04 0.52 -0.15 -0.92 0.00 0.00 0.00 179.25 178.74 3hwi h TYR 93 N 0.00 0.48 -0.82 0.00 3.20 -1.25 -1.54 116.97 117.05 3hwi h TYR 93 Ca -0.00 -0.14 0.03 0.00 3.14 0.00 0.00 58.73 61.75 3hwi h TYR 93 Cb 0.78 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 3hwi h TYR 93 CO 0.00 0.77 0.54 0.00 -1.64 0.00 0.00 178.16 177.82 3hwi h ALA 94 N 0.64 1.48 -0.25 1.82 0.00 -1.24 -0.83 119.26 120.88 3hwi h ALA 94 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hwi h ALA 94 Cb 0.67 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3hwi h ALA 94 CO 0.04 0.45 0.16 -0.92 0.00 0.00 0.00 179.25 178.98 3hwi h TYR 95 N 1.03 0.31 -0.88 0.00 3.20 -1.04 0.20 116.97 119.80 3hwi h TYR 95 Ca 0.32 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.19 3hwi h TYR 95 Cb -0.01 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 3hwi h TYR 95 CO -0.00 0.20 0.53 2.35 -1.64 0.00 0.00 178.16 179.60 3hwi h TRP 96 N 0.34 1.15 0.21 -3.82 7.01 -0.89 -1.34 115.95 118.61 3hwi h TRP 96 Ca 0.09 -0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.09 3hwi h TRP 96 Cb -0.03 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 26.63 3hwi h TRP 96 CO -0.06 0.77 -0.17 -0.92 -2.79 0.00 0.00 178.44 175.27 3hwi h TYR 97 N 1.21 -0.45 -0.84 2.65 3.20 -0.75 0.21 116.97 122.18 3hwi h TYR 97 Ca 0.31 0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.34 3hwi h TYR 97 Cb -0.05 0.17 -0.10 0.00 1.54 0.00 0.00 36.73 38.29 3hwi h TYR 97 CO -0.00 -0.26 0.41 0.74 -1.64 0.00 0.00 178.16 177.41 3hwi h PHE 98 N -0.39 0.71 -0.45 -3.82 -1.00 -0.13 -2.29 116.94 109.56 3hwi h PHE 98 Ca -0.01 0.04 -0.14 0.00 2.81 0.00 0.00 57.97 60.67 3hwi h PHE 98 Cb 0.36 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.72 3hwi h PHE 98 CO -0.13 0.12 -0.26 0.87 -1.61 0.00 0.00 178.31 177.31 3hwi h LYS 99 N 0.56 0.98 -0.92 1.51 1.79 -0.57 -1.40 116.57 118.51 3hwi h LYS 99 Ca 0.47 -0.44 0.20 0.00 -2.18 0.00 0.00 60.65 58.70 3hwi h LYS 99 Cb 0.72 -0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.24 3hwi h LYS 99 CO -0.40 1.12 0.47 1.25 -1.08 0.00 0.00 179.45 180.81 3hwi h LEU 100 N 0.82 0.51 -3.02 2.94 5.85 -0.24 -1.32 115.31 120.85 3hwi h LEU 100 Ca 0.10 0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3hwi h LEU 100 Cb 0.85 0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3hwi h LEU 100 CO 0.07 0.11 0.00 -1.22 -0.34 0.00 0.00 178.44 177.06 3hwi n TYR 101 N -4.94 1.42 -0.63 1.25 4.01 -0.90 -0.54 117.16 116.83 3hwi n TYR 101 Ca 0.22 -0.58 0.00 0.00 -0.16 0.00 0.00 57.90 57.38 3hwi n TYR 101 Cb 0.61 -0.21 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 3hwi n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hwi n GLY 102 N 1.24 0.66 3.70 2.72 0.00 -0.50 -2.08 105.19 110.93 3hwi n GLY 102 Ca 0.26 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3hwi n GLY 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3hwi s HIS 103 N -2.00 2.98 -0.12 1.61 2.46 -0.62 -4.92 115.29 114.68 3hwi s HIS 103 Ca 0.00 0.83 -0.13 0.00 0.47 0.00 0.00 55.06 56.23 3hwi s HIS 103 Cb 0.00 -3.70 -0.12 0.00 -0.13 0.00 0.00 32.58 28.64 3hwi s HIS 103 CO 0.00 -2.54 0.37 0.93 -2.47 0.00 0.00 174.74 171.03 3hwi h GLU 104 N 7.44 -0.01 -4.28 2.88 5.08 -1.89 -3.42 114.58 120.38 3hwi h GLU 104 Ca -0.40 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.22 3hwi h GLU 104 Cb 1.19 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.22 3hwi h GLU 104 CO 0.89 0.44 -0.02 0.15 -1.00 0.00 0.00 179.01 179.47 3hwi s LYS 105 N -1.92 3.13 -0.11 2.33 1.02 -1.26 -4.98 119.74 117.95 3hwi s LYS 105 Ca -0.09 -1.71 -0.13 0.00 0.02 0.00 0.00 55.97 54.06 3hwi s LYS 105 Cb -0.01 -4.33 0.03 0.00 -0.52 0.00 0.00 37.83 33.00 3hwi s LYS 105 CO 0.32 -1.41 0.35 0.54 -0.92 0.00 0.00 175.35 174.23 3hwi s VAL 106 N 1.77 0.01 0.04 3.17 0.11 -1.26 -1.44 120.40 122.80 3hwi s VAL 106 Ca 0.09 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 58.96 3hwi s VAL 106 Cb -0.24 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.07 3hwi s VAL 106 CO 0.02 -0.06 0.16 -0.54 -3.33 0.00 0.00 175.10 171.35 3hwi s LYS 107 N -0.16 0.65 0.15 1.54 1.02 0.04 -4.68 119.74 118.31 3hwi s LYS 107 Ca -0.03 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.09 3hwi s LYS 107 Cb -0.03 0.27 -0.08 0.00 -0.52 0.00 0.00 37.83 37.47 3hwi s LYS 107 CO 0.01 -0.18 0.66 -0.51 -0.92 0.00 0.00 175.35 174.41 3hwi s LEU 108 N -2.09 4.45 -0.60 3.17 1.43 -0.67 -0.50 118.68 123.87 3hwi s LEU 108 Ca -0.05 1.37 -0.25 0.00 -1.03 0.00 0.00 54.13 54.17 3hwi s LEU 108 Cb -0.01 -3.27 0.04 0.00 0.03 0.00 0.00 46.19 42.99 3hwi s LEU 108 CO -0.04 0.15 1.03 -0.22 0.23 0.00 0.00 176.35 177.51 3hwi s LEU 109 N -1.54 3.92 -0.20 1.79 0.20 0.13 -1.34 118.68 121.65 3hwi s LEU 109 Ca 0.36 -0.41 -0.39 0.00 0.69 0.00 0.00 54.13 54.38 3hwi s LEU 109 Cb -0.19 -2.77 -0.15 0.00 -0.43 0.00 0.00 46.19 42.66 3hwi s LEU 109 CO 0.21 -1.40 1.73 -0.67 -0.29 0.00 0.00 176.35 175.93 3hwi n ASP 110 N 7.94 2.53 0.00 3.68 2.03 0.18 0.20 116.55 133.11 3hwi n ASP 110 Ca 0.02 1.06 0.00 0.00 0.52 0.00 0.00 54.79 56.39 3hwi n ASP 110 Cb 0.48 -1.20 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 3hwi n ASP 110 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hwi n GLY 111 N 4.05 3.04 7.00 0.27 0.00 -1.25 -4.54 105.19 113.77 3hwi n GLY 111 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3hwi n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hwi n GLY 112 N -0.32 2.51 0.26 -0.02 0.00 0.13 -2.22 105.19 105.52 3hwi n GLY 112 Ca 0.00 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.59 3hwi n GLY 112 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3hwi h ARG 113 N 0.00 0.88 -0.56 1.61 2.43 -0.92 -2.43 114.38 115.39 3hwi h ARG 113 Ca 0.00 -0.10 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3hwi h ARG 113 Cb 0.00 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.35 3hwi h ARG 113 CO 0.00 0.67 0.34 -0.22 -1.51 0.00 0.00 179.97 179.25 3hwi h LYS 114 N 0.86 0.75 -0.38 0.20 3.64 -1.71 0.54 116.57 120.47 3hwi h LYS 114 Ca 0.22 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.40 3hwi h LYS 114 Cb 0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 3hwi h LYS 114 CO -0.04 0.54 -0.28 -0.22 -2.27 0.00 0.00 179.45 177.19 3hwi h LYS 115 N 0.75 0.86 -0.29 1.90 1.63 -1.35 -1.43 116.57 118.64 3hwi h LYS 115 Ca 0.20 -0.42 0.02 0.00 -0.85 0.00 0.00 60.65 59.61 3hwi h LYS 115 Cb -0.03 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 3hwi h LYS 115 CO -0.04 1.06 0.13 2.35 -3.45 0.00 0.00 179.45 179.50 3hwi h TRP 116 N 0.67 0.24 -0.28 1.91 2.91 -0.85 -0.14 115.95 120.42 3hwi h TRP 116 Ca 0.07 0.01 -0.15 0.00 1.13 0.00 0.00 58.89 59.96 3hwi h TRP 116 Cb 0.85 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.43 3hwi h TRP 116 CO 0.06 0.13 -0.43 0.93 -1.03 0.00 0.00 178.44 178.10 3hwi h GLU 117 N 0.28 0.69 -0.80 2.65 5.08 -0.91 -2.20 114.58 119.36 3hwi h GLU 117 Ca 0.12 -0.37 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3hwi h GLU 117 Cb 0.05 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 3hwi h GLU 117 CO -0.10 0.98 0.50 1.25 -1.00 0.00 0.00 179.01 180.64 3hwi h LEU 118 N 0.56 0.95 -1.59 1.33 5.85 -0.90 -0.39 115.31 121.11 3hwi h LEU 118 Ca 0.04 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3hwi h LEU 118 Cb 0.97 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3hwi h LEU 118 CO 0.09 0.72 0.00 0.44 -0.34 0.00 0.00 178.44 179.35 3hwi h ASP 119 N 1.09 0.00 0.00 1.25 3.32 -0.89 -3.46 116.42 117.73 3hwi h ASP 119 Ca 0.29 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.34 3hwi h ASP 119 Cb -0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.48 3hwi h ASP 119 CO -0.06 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.07 3hwi n GLY 120 N -0.51 0.51 3.77 2.75 0.00 -0.16 -5.02 105.19 106.54 3hwi n GLY 120 Ca -0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.33 3hwi n GLY 120 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hwi s ARG 121 N -0.58 4.08 0.53 1.61 0.52 -0.86 -4.96 118.95 119.30 3hwi s ARG 121 Ca 0.00 2.33 -0.19 0.00 -0.52 0.00 0.00 55.73 57.35 3hwi s ARG 121 Cb 0.00 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.51 3hwi s ARG 121 CO 0.00 -0.46 1.09 -1.25 0.02 0.00 0.00 175.30 174.70 3hwi s PRO 122 N -2.10 3.47 0.40 3.54 0.04 -1.26 -4.71 135.00 134.38 3hwi s PRO 122 Ca 0.54 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.13 3hwi s PRO 122 Cb -0.42 -2.03 -0.07 0.00 0.04 0.00 0.00 34.50 32.02 3hwi s PRO 122 CO 0.55 -0.73 0.02 -0.51 0.04 0.00 0.00 177.00 176.37 3hwi s LEU 123 N -3.79 2.73 0.00 -3.56 1.43 -1.26 -4.68 118.68 109.54 3hwi s LEU 123 Ca 0.70 -1.39 0.02 0.00 -1.03 0.00 0.00 54.13 52.43 3hwi s LEU 123 Cb -0.21 -0.80 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 3hwi s LEU 123 CO 0.26 -0.50 -0.06 -0.55 0.23 0.00 0.00 176.35 175.73 3hwi s SER 124 N -3.68 0.66 -0.05 2.29 0.15 0.12 -4.87 113.70 108.32 3hwi s SER 124 Ca 0.34 -0.18 0.14 0.00 0.70 0.00 0.00 55.95 56.94 3hwi s SER 124 Cb 0.09 -0.05 0.43 0.00 -1.71 0.00 0.00 66.02 64.78 3hwi s SER 124 CO 0.17 0.02 1.35 -1.54 1.20 0.00 0.00 173.24 174.44 3hwi n SER 125 N 2.68 3.41 -4.77 5.45 3.41 -1.26 -0.67 113.62 121.87 3hwi n SER 125 Ca -0.15 -2.25 -0.39 0.00 -0.26 0.00 0.00 58.87 55.83 3hwi n SER 125 Cb 0.58 -0.35 -0.05 0.00 -0.26 0.00 0.00 64.21 64.12 3hwi n SER 125 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hwi s ASP 126 N -1.17 7.28 0.61 4.04 1.01 -1.26 -4.98 116.67 122.20 3hwi s ASP 126 Ca 0.32 2.05 -0.15 0.00 0.71 0.00 0.00 52.55 55.48 3hwi s ASP 126 Cb 0.20 -2.60 -0.03 0.00 1.01 0.00 0.00 42.92 41.50 3hwi s ASP 126 CO 0.17 -0.11 1.06 -2.16 0.21 0.00 0.00 175.17 174.34 3hwi s PRO 127 N -1.70 3.21 -0.06 8.23 0.04 -1.26 -4.93 135.00 138.52 3hwi s PRO 127 Ca 0.47 1.20 0.04 0.00 0.04 0.00 0.00 61.00 62.75 3hwi s PRO 127 Cb -0.26 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.27 3hwi s PRO 127 CO 0.32 -0.90 -0.17 0.08 0.04 0.00 0.00 177.00 176.37 3hwi s VAL 128 N -2.50 1.46 -0.15 -0.36 1.01 -1.26 -5.02 120.40 113.57 3hwi s VAL 128 Ca 0.63 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.87 3hwi s VAL 128 Cb -0.16 -1.27 0.07 0.00 0.00 0.00 0.00 36.38 35.01 3hwi s VAL 128 CO 0.39 0.42 0.16 -0.94 0.00 0.00 0.00 175.10 175.13 3hwi s SER 129 N 0.27 1.51 0.17 3.32 1.04 -1.26 -5.00 113.70 113.74 3hwi s SER 129 Ca -0.09 -0.19 -0.14 0.00 0.48 0.00 0.00 55.95 56.01 3hwi s SER 129 Cb -0.14 0.13 -0.07 0.00 0.10 0.00 0.00 66.02 66.04 3hwi s SER 129 CO 0.04 -0.31 0.58 -0.13 0.98 0.00 0.00 173.24 174.39 3hwi s ARG 130 N 2.25 3.98 0.35 4.02 0.52 -1.26 -5.04 118.95 123.77 3hwi s ARG 130 Ca 0.04 0.51 -0.29 0.00 -0.52 0.00 0.00 55.73 55.47 3hwi s ARG 130 Cb -0.15 -2.86 -0.11 0.00 0.52 0.00 0.00 34.95 32.35 3hwi s ARG 130 CO -0.09 0.43 1.48 -2.30 0.02 0.00 0.00 175.30 174.84 3hwi n PRO 131 N 0.60 2.59 -2.00 3.54 -0.02 -1.26 -4.56 135.00 133.89 3hwi n PRO 131 Ca -0.04 0.91 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 3hwi n PRO 131 Cb 0.52 -2.63 0.03 0.00 -0.02 0.00 0.00 33.50 31.39 3hwi n PRO 131 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3hwi s VAL 132 N -0.85 2.57 0.35 -1.45 -7.23 -1.26 -4.24 120.40 108.29 3hwi s VAL 132 Ca 0.56 0.39 0.01 0.00 -1.81 0.00 0.00 61.98 61.13 3hwi s VAL 132 Cb -0.50 -3.18 0.01 0.00 0.56 0.00 0.00 36.38 33.27 3hwi s VAL 132 CO 0.60 -0.04 0.08 0.35 -0.31 0.00 0.00 175.10 175.78 3hwi n THR 133 N -1.15 0.00 -4.00 5.32 -2.24 0.07 -4.92 114.28 107.36 3hwi n THR 133 Ca 0.11 -1.57 -0.31 0.00 -2.27 0.00 0.00 64.05 60.02 3hwi n THR 133 Cb 0.48 0.18 -0.15 0.00 -2.10 0.00 0.00 70.33 68.74 3hwi n THR 133 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hwi s SER 134 N -2.95 4.67 -0.01 3.42 0.15 -1.26 -4.52 113.70 113.21 3hwi s SER 134 Ca 0.06 -2.31 -0.15 0.00 0.70 0.00 0.00 55.95 54.24 3hwi s SER 134 Cb -0.00 -1.62 -0.06 0.00 -1.71 0.00 0.00 66.02 62.63 3hwi s SER 134 CO 0.04 -0.35 0.42 -0.47 1.20 0.00 0.00 173.24 174.07 3hwi s TYR 135 N 0.69 3.72 -0.28 3.44 5.04 -1.26 -4.75 117.35 123.94 3hwi s TYR 135 Ca 0.12 0.99 0.02 0.00 -2.44 0.00 0.00 57.07 55.76 3hwi s TYR 135 Cb -0.20 -2.31 0.08 0.00 0.35 0.00 0.00 41.96 39.87 3hwi s TYR 135 CO -0.07 0.61 0.00 0.99 -1.34 0.00 0.00 175.55 175.75 3hwi s THR 136 N -0.96 1.67 0.53 4.34 2.01 -1.26 -4.66 115.64 117.30 3hwi s THR 136 Ca 0.24 -1.62 -0.18 0.00 0.31 0.00 0.00 61.69 60.44 3hwi s THR 136 Cb -0.17 -2.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.21 3hwi s THR 136 CO 0.13 -0.35 1.03 0.00 -0.69 0.00 0.00 174.62 174.74 3hwi s ALA 137 N 1.27 2.87 0.59 7.40 0.00 -1.26 -5.00 121.76 127.62 3hwi s ALA 137 Ca 0.02 0.44 -0.08 0.00 0.00 0.00 0.00 51.96 52.34 3hwi s ALA 137 Cb -0.19 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.71 3hwi s ALA 137 CO -0.10 -0.45 0.93 -1.12 0.00 0.00 0.00 175.76 175.01 3hwi s SER 138 N -2.48 5.88 0.67 0.00 0.01 -0.89 -4.97 113.70 111.93 3hwi s SER 138 Ca 0.64 0.99 -0.17 0.00 1.31 0.00 0.00 55.95 58.72 3hwi s SER 138 Cb -0.15 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.03 3hwi s SER 138 CO 0.28 -0.94 1.28 -0.81 0.41 0.00 0.00 173.24 173.46 3hwi n PRO 139 N -2.60 1.00 -1.77 12.44 -0.04 -1.26 -4.70 135.00 138.06 3hwi n PRO 139 Ca 0.04 0.40 -0.41 0.00 -0.04 0.00 0.00 63.50 63.49 3hwi n PRO 139 Cb 0.56 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 3hwi n PRO 139 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3hwi n PRO 140 N -2.06 2.64 -2.96 0.54 -0.04 -1.26 -4.78 135.00 127.08 3hwi n PRO 140 Ca 0.16 0.93 -0.44 0.00 -0.04 0.00 0.00 63.50 64.10 3hwi n PRO 140 Cb 0.48 -2.66 -0.03 0.00 -0.04 0.00 0.00 33.50 31.25 3hwi n PRO 140 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3hwi s ASP 141 N -0.16 6.44 0.00 3.54 2.15 0.30 -4.88 116.67 124.06 3hwi s ASP 141 Ca 0.54 -1.69 0.24 0.00 0.43 0.00 0.00 52.55 52.06 3hwi s ASP 141 Cb -0.48 -2.38 1.39 0.00 -0.30 0.00 0.00 42.92 41.15 3hwi s ASP 141 CO 0.63 -1.15 1.79 0.59 -0.17 0.00 0.00 175.17 176.86 3hwi n ASN 142 N 6.71 0.00 0.15 -0.34 3.02 -1.26 -2.44 115.26 121.10 3hwi n ASN 142 Ca 0.11 -0.63 0.12 0.00 -0.03 0.00 0.00 54.58 54.15 3hwi n ASN 142 Cb 0.47 -0.05 0.55 0.00 -0.61 0.00 0.00 39.78 40.14 3hwi n ASN 142 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 3hwi h THR 143 N 0.00 0.00 -0.33 3.41 1.35 -1.96 -2.79 112.91 112.59 3hwi h THR 143 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3hwi h THR 143 Cb 0.04 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.28 3hwi h THR 143 CO 0.00 0.00 0.00 2.30 -0.25 0.00 0.00 175.52 177.57 3hwi n ILE 144 N -2.30 1.02 -4.56 6.82 -5.35 -1.02 -4.43 119.36 109.55 3hwi n ILE 144 Ca 0.01 -1.02 -0.22 0.00 -0.27 0.00 0.00 62.75 61.25 3hwi n ILE 144 Cb 0.16 0.49 -0.15 0.00 -1.74 0.00 0.00 39.64 38.39 3hwi n ILE 144 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 3hwi s ARG 145 N -1.04 1.12 0.03 6.28 3.52 -1.05 -0.89 118.95 126.93 3hwi s ARG 145 Ca 0.23 -0.43 0.08 0.00 -0.13 0.00 0.00 55.73 55.48 3hwi s ARG 145 Cb 0.12 -1.05 -0.03 0.00 -1.56 0.00 0.00 34.95 32.43 3hwi s ARG 145 CO 0.15 0.22 -0.22 0.00 -0.81 0.00 0.00 175.30 174.63 3hwi s ALA 146 N -0.09 2.40 0.25 6.12 0.00 -0.27 -4.77 121.76 125.39 3hwi s ALA 146 Ca 0.01 -1.21 0.08 0.00 0.00 0.00 0.00 51.96 50.85 3hwi s ALA 146 Cb -0.07 -0.62 -0.04 0.00 0.00 0.00 0.00 23.12 22.39 3hwi s ALA 146 CO 0.00 0.55 0.07 -0.06 0.00 0.00 0.00 175.76 176.32 3hwi s PHE 147 N -0.82 2.87 0.30 0.00 0.08 -1.26 -3.81 117.98 115.34 3hwi s PHE 147 Ca 0.13 -0.17 0.04 0.00 0.12 0.00 0.00 56.93 57.05 3hwi s PHE 147 Cb -0.10 -1.30 0.79 0.00 -0.57 0.00 0.00 43.02 41.84 3hwi s PHE 147 CO 0.03 0.57 1.63 0.07 -0.10 0.00 0.00 175.22 177.42 3hwi h ARG 148 N 1.88 0.17 -0.30 0.44 0.11 -2.00 -2.26 114.38 112.41 3hwi h ARG 148 Ca -0.46 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 59.58 3hwi h ARG 148 Cb 1.24 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.27 3hwi h ARG 148 CO 0.60 0.11 0.08 -0.44 0.10 0.00 0.00 179.97 180.42 3hwi h ASP 149 N 0.17 0.45 0.77 0.08 3.32 -2.00 -2.04 116.42 117.17 3hwi h ASP 149 Ca 0.59 -0.22 -0.05 0.00 0.02 0.00 0.00 57.03 57.37 3hwi h ASP 149 Cb 1.26 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.68 3hwi h ASP 149 CO -0.70 0.55 -0.26 1.05 -1.72 0.00 0.00 179.24 178.16 3hwi h GLU 150 N 0.33 0.00 -0.20 3.56 4.11 -1.85 -1.53 114.58 119.00 3hwi h GLU 150 Ca 0.10 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.47 3hwi h GLU 150 Cb 0.27 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hwi h GLU 150 CO -0.00 0.26 -0.08 0.28 0.07 0.00 0.00 179.01 179.54 3hwi h VAL 151 N 0.00 1.30 -0.53 -1.06 2.07 -1.08 -0.95 116.25 116.00 3hwi h VAL 151 Ca -0.00 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.40 3hwi h VAL 151 Cb 0.72 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 3hwi h VAL 151 CO 0.03 0.34 0.35 -0.07 0.02 0.00 0.00 177.57 178.24 3hwi h LEU 152 N 0.12 0.61 -0.47 2.57 3.38 -1.21 -1.71 115.31 118.59 3hwi h LEU 152 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3hwi h LEU 152 Cb 0.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hwi h LEU 152 CO 0.03 0.44 0.00 0.00 0.09 0.00 0.00 178.44 179.00 3hwi n ALA 153 N -2.24 1.58 1.26 1.53 0.00 -0.59 -3.17 120.51 118.87 3hwi n ALA 153 Ca 0.03 0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.64 3hwi n ALA 153 Cb 0.02 -1.31 0.39 0.00 0.00 0.00 0.00 19.45 18.56 3hwi n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwi n ALA 154 N -1.66 3.05 -1.83 0.00 0.00 -0.37 -4.75 120.51 114.95 3hwi n ALA 154 Ca 0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 53.44 52.64 3hwi n ALA 154 Cb 0.18 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.46 3hwi n ALA 154 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hwi s ILE 155 N -2.49 2.89 -0.11 0.00 1.01 -1.19 -0.80 121.20 120.51 3hwi s ILE 155 Ca 0.25 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3hwi s ILE 155 Cb 0.19 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.47 3hwi s ILE 155 CO 0.51 -0.01 0.00 0.59 0.00 0.00 0.00 174.94 176.04 3hwi n ASN 156 N 5.93 -4.88 -0.02 3.58 3.02 -1.26 -4.78 115.26 116.85 3hwi n ASN 156 Ca 0.17 0.03 -0.05 0.00 -0.03 0.00 0.00 54.58 54.69 3hwi n ASN 156 Cb 0.40 -2.47 -0.02 0.00 -0.61 0.00 0.00 39.78 37.08 3hwi n ASN 156 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3hwi n VAL 157 N -2.39 0.61 -4.18 2.41 0.31 -0.52 -5.07 118.33 109.49 3hwi n VAL 157 Ca -0.01 0.03 -0.26 0.00 -0.01 0.00 0.00 64.34 64.09 3hwi n VAL 157 Cb 0.33 -1.63 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 3hwi n VAL 157 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3hwi s LYS 158 N -2.14 2.52 0.16 5.55 1.02 0.02 -4.67 119.74 122.21 3hwi s LYS 158 Ca -0.08 -1.06 -0.33 0.00 0.02 0.00 0.00 55.97 54.53 3hwi s LYS 158 Cb 0.03 -2.42 -0.13 0.00 -0.52 0.00 0.00 37.83 34.79 3hwi s LYS 158 CO 0.11 0.46 1.69 0.09 -0.92 0.00 0.00 175.35 176.78 3hwi n ASN 159 N -0.20 3.63 -4.13 2.83 3.02 0.08 -4.83 115.26 115.67 3hwi n ASN 159 Ca -0.09 1.05 -0.33 0.00 -0.03 0.00 0.00 54.58 55.18 3hwi n ASN 159 Cb 0.55 -1.50 -0.15 0.00 -0.61 0.00 0.00 39.78 38.07 3hwi n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3hwi s LEU 160 N 1.45 3.19 -0.36 3.41 1.43 -1.26 -0.78 118.68 125.76 3hwi s LEU 160 Ca 0.78 -1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 52.67 3hwi s LEU 160 Cb -0.58 -1.59 0.01 0.00 0.03 0.00 0.00 46.19 44.07 3hwi s LEU 160 CO 0.36 -0.15 0.21 -0.63 0.23 0.00 0.00 176.35 176.38 3hwi s ILE 161 N 1.22 4.76 -0.37 -0.59 -1.09 0.35 -1.02 121.20 124.46 3hwi s ILE 161 Ca -0.03 -0.67 -0.18 0.00 -2.23 0.00 0.00 60.65 57.54 3hwi s ILE 161 Cb -0.18 -3.58 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 3hwi s ILE 161 CO -0.06 -0.16 0.50 -0.62 -1.23 0.00 0.00 174.94 173.38 3hwi s ASP 162 N 1.60 6.29 -0.13 3.58 -1.08 0.56 -0.64 116.67 126.86 3hwi s ASP 162 Ca 0.03 -0.15 0.18 0.00 -0.52 0.00 0.00 52.55 52.09 3hwi s ASP 162 Cb -0.18 -2.26 0.73 0.00 -1.46 0.00 0.00 42.92 39.74 3hwi s ASP 162 CO 0.07 -0.51 1.63 1.33 0.52 0.00 0.00 175.17 178.22 3hwi n VAL 163 N 5.45 1.91 -1.84 1.11 0.24 -0.38 -1.18 118.33 123.64 3hwi n VAL 163 Ca -0.05 -1.18 -0.30 0.00 -2.04 0.00 0.00 64.34 60.77 3hwi n VAL 163 Cb 0.49 0.07 0.07 0.00 -1.47 0.00 0.00 33.84 32.99 3hwi n VAL 163 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 3hwi s ARG 164 N -1.95 2.42 0.75 7.34 0.52 -1.26 -2.12 118.95 124.64 3hwi s ARG 164 Ca 0.51 0.36 -0.16 0.00 -0.52 0.00 0.00 55.73 55.92 3hwi s ARG 164 Cb 0.34 -1.98 -0.00 0.00 0.52 0.00 0.00 34.95 33.82 3hwi s ARG 164 CO 0.24 -1.32 0.77 -1.13 0.02 0.00 0.00 175.30 173.87 3hwi n SER 165 N -3.18 -0.35 0.12 0.23 3.41 -1.26 -4.03 113.62 108.56 3hwi n SER 165 Ca 0.07 0.60 0.05 0.00 -0.26 0.00 0.00 58.87 59.34 3hwi n SER 165 Cb 0.58 -1.32 0.50 0.00 -0.26 0.00 0.00 64.21 63.72 3hwi n SER 165 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3hwi h PRO 166 N -0.46 0.29 0.00 4.33 0.11 -1.98 -1.34 132.00 132.94 3hwi h PRO 166 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3hwi h PRO 166 Cb 1.33 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.37 3hwi h PRO 166 CO 0.44 0.22 -0.52 -0.44 -0.21 0.00 0.00 178.00 177.49 3hwi h ASP 167 N 0.29 0.00 -0.00 -2.05 3.32 -1.95 -1.75 116.42 114.29 3hwi h ASP 167 Ca 0.08 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.97 3hwi h ASP 167 Cb 0.02 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.58 3hwi h ASP 167 CO -0.01 0.52 -0.60 -0.33 -1.72 0.00 0.00 179.24 177.10 3hwi h GLU 168 N 0.00 0.41 -0.44 3.56 5.08 -1.58 -1.87 114.58 119.73 3hwi h GLU 168 Ca -0.01 -0.44 0.04 0.00 -1.00 0.00 0.00 59.36 57.96 3hwi h GLU 168 Cb 1.01 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.35 3hwi h GLU 168 CO 0.07 1.10 0.21 0.35 -1.00 0.00 0.00 179.01 179.74 3hwi h PHE 169 N -0.10 0.39 0.00 4.33 3.57 -1.17 -2.45 116.94 121.51 3hwi h PHE 169 Ca -0.07 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 3hwi h PHE 169 Cb 1.31 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 3hwi h PHE 169 CO 0.15 0.19 -0.23 0.66 -2.23 0.00 0.00 178.31 176.85 3hwi h SER 170 N 0.43 0.00 0.00 0.41 4.64 -1.41 -3.32 113.55 114.29 3hwi h SER 170 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3hwi h SER 170 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3hwi h SER 170 CO -0.15 0.23 0.00 0.61 -0.87 0.00 0.00 176.83 176.65 3hwi n GLY 171 N 0.18 0.41 0.36 -0.77 0.00 -0.92 -0.73 105.19 103.73 3hwi n GLY 171 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3hwi n GLY 171 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hwi h LYS 172 N 4.71 0.85 -5.09 1.61 3.64 -1.62 -3.43 116.57 117.24 3hwi h LYS 172 Ca 0.00 -0.05 -0.48 0.00 -1.27 0.00 0.00 60.65 58.85 3hwi h LYS 172 Cb 0.00 -0.19 -0.30 0.00 -0.41 0.00 0.00 32.23 31.33 3hwi h LYS 172 CO 0.00 0.56 -0.81 0.42 -2.27 0.00 0.00 179.45 177.36 3hwi s ILE 173 N -5.78 1.06 0.01 2.00 1.01 -0.89 -5.03 121.20 113.57 3hwi s ILE 173 Ca -0.11 -0.55 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 3hwi s ILE 173 Cb 0.20 -0.90 -0.17 0.00 0.01 0.00 0.00 42.46 41.59 3hwi s ILE 173 CO 0.79 0.31 1.26 0.25 0.00 0.00 0.00 174.94 177.55 3hwi h LEU 174 N 6.02 -0.25 -7.93 2.97 5.85 -1.88 -3.37 115.31 116.71 3hwi h LEU 174 Ca -0.34 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.11 3hwi h LEU 174 Cb 1.17 0.07 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 3hwi h LEU 174 CO 0.49 0.12 -0.08 0.00 -0.34 0.00 0.00 178.44 178.62 3hwi s ALA 175 N -4.77 -0.55 0.78 1.25 0.00 -1.26 -4.91 121.76 112.30 3hwi s ALA 175 Ca -0.14 -0.55 -0.13 0.00 0.00 0.00 0.00 51.96 51.13 3hwi s ALA 175 Cb 0.02 0.91 0.07 0.00 0.00 0.00 0.00 23.12 24.12 3hwi s ALA 175 CO 0.57 -0.79 1.16 -2.14 0.00 0.00 0.00 175.76 174.56 3hwi s PRO 176 N -3.94 1.94 0.14 0.00 0.02 -1.26 -4.94 135.00 126.96 3hwi s PRO 176 Ca 0.15 1.56 -0.17 0.00 0.02 0.00 0.00 61.00 62.55 3hwi s PRO 176 Cb -0.00 -1.83 0.02 0.00 0.02 0.00 0.00 34.50 32.71 3hwi s PRO 176 CO 0.01 -1.95 1.74 0.00 -0.33 0.00 0.00 177.00 176.48 3hwi h ALA 177 N -0.81 0.33 0.00 -1.55 0.00 -2.02 -3.16 119.26 112.05 3hwi h ALA 177 Ca -0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hwi h ALA 177 Cb 1.27 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hwi h ALA 177 CO 0.48 -0.32 0.00 -2.39 0.00 0.00 0.00 179.25 177.02 3hwi n HIS 178 N -5.05 0.00 -4.14 0.00 1.44 -1.26 -4.85 115.22 101.35 3hwi n HIS 178 Ca -0.00 -0.55 -0.09 0.00 -2.01 0.00 0.00 57.72 55.06 3hwi n HIS 178 Cb 0.12 -0.31 -0.10 0.00 0.12 0.00 0.00 29.99 29.82 3hwi n HIS 178 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3hwi s LEU 179 N 0.00 2.38 0.00 2.39 1.43 -1.20 -5.28 118.68 118.40 3hwi s LEU 179 Ca 0.00 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 3hwi s LEU 179 Cb 0.00 0.08 0.00 0.00 0.03 0.00 0.00 46.19 46.30 3hwi s LEU 179 CO 0.00 -0.56 0.00 -2.65 0.23 0.00 0.00 176.35 173.37 3hwi n PRO 180 N -0.01 0.00 0.00 1.29 -0.02 -1.26 -5.00 135.00 130.01 3hwi n PRO 180 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.36 3hwi n PRO 180 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 3hwi n PRO 180 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3hwi n GLN 185 N 0.00 3.42 -3.78 -0.52 1.13 -1.20 -5.06 117.38 111.37 3hwi n GLN 185 Ca 0.00 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 3hwi n GLN 185 Cb 0.00 -0.71 -0.10 0.00 0.11 0.00 0.00 30.24 29.54 3hwi n GLN 185 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3hwi s ARG 186 N -1.37 0.45 0.72 -1.09 1.81 -0.55 -4.97 118.95 113.96 3hwi s ARG 186 Ca 0.00 0.15 -0.05 0.00 -1.72 0.00 0.00 55.73 54.11 3hwi s ARG 186 Cb 0.00 0.21 0.09 0.00 -0.45 0.00 0.00 34.95 34.80 3hwi s ARG 186 CO 0.00 -0.09 1.01 -1.25 -0.68 0.00 0.00 175.30 174.29 3hwi s PRO 187 N -0.44 1.89 0.00 3.54 0.04 -1.26 -4.80 135.00 133.98 3hwi s PRO 187 Ca -0.05 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.38 3hwi s PRO 187 Cb -0.04 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3hwi s PRO 187 CO 0.02 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.09 3hwi n GLY 188 N -2.92 0.30 3.40 0.56 0.00 -1.26 -4.90 105.19 100.37 3hwi n GLY 188 Ca 0.11 -2.28 -0.10 0.00 0.00 0.00 0.00 46.02 43.75 3hwi n GLY 188 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3hwi s HIS 189 N 0.00 0.60 0.22 1.61 -3.43 -0.45 -4.67 115.29 109.17 3hwi s HIS 189 Ca 0.00 -0.92 -0.30 0.00 -0.80 0.00 0.00 55.06 53.04 3hwi s HIS 189 Cb 0.00 -0.10 -0.09 0.00 -1.43 0.00 0.00 32.58 30.97 3hwi s HIS 189 CO 0.00 -0.81 1.18 0.42 -2.00 0.00 0.00 174.74 173.54 3hwi s ILE 190 N -4.04 3.46 0.31 -5.38 1.01 -1.26 -1.81 121.20 113.49 3hwi s ILE 190 Ca 0.25 1.31 -0.29 0.00 0.00 0.00 0.00 60.65 61.92 3hwi s ILE 190 Cb 0.03 -3.83 -0.12 0.00 0.01 0.00 0.00 42.46 38.54 3hwi s ILE 190 CO 0.07 0.24 1.45 -2.65 0.00 0.00 0.00 174.94 174.06 3hwi n PRO 191 N 2.03 2.39 0.00 2.79 -0.02 -1.26 -1.74 135.00 139.19 3hwi n PRO 191 Ca 0.03 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3hwi n PRO 191 Cb 0.44 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.39 3hwi n PRO 191 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hwi n GLY 192 N 1.50 2.23 3.74 -1.23 0.00 -1.26 -4.59 105.19 105.58 3hwi n GLY 192 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 3hwi n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwi s ALA 193 N -2.58 2.46 0.09 4.61 0.00 -0.71 -4.72 121.76 120.92 3hwi s ALA 193 Ca 0.00 1.23 0.07 0.00 0.00 0.00 0.00 51.96 53.26 3hwi s ALA 193 Cb 0.00 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3hwi s ALA 193 CO 0.00 -1.54 -0.12 0.96 0.00 0.00 0.00 175.76 175.06 3hwi s ILE 194 N -1.38 3.27 -0.23 0.00 -4.36 -0.19 -4.96 121.20 113.35 3hwi s ILE 194 Ca 0.81 -1.25 -0.06 0.00 -0.26 0.00 0.00 60.65 59.88 3hwi s ILE 194 Cb -0.38 -2.50 -0.03 0.00 1.25 0.00 0.00 42.46 40.80 3hwi s ILE 194 CO 0.41 0.15 0.04 0.21 0.24 0.00 0.00 174.94 175.99 3hwi s ASN 195 N -2.07 4.98 -0.37 4.36 3.04 -1.26 -0.32 114.94 123.30 3hwi s ASN 195 Ca 0.20 -0.21 0.00 0.00 0.04 0.00 0.00 52.86 52.89 3hwi s ASN 195 Cb -0.11 -1.88 0.13 0.00 -1.54 0.00 0.00 41.25 37.86 3hwi s ASN 195 CO 0.12 0.01 0.20 -0.69 -3.04 0.00 0.00 177.10 173.70 3hwi s VAL 196 N 1.34 0.60 0.07 -5.21 1.01 -0.33 -4.95 120.40 112.94 3hwi s VAL 196 Ca 0.05 -1.84 -0.37 0.00 0.00 0.00 0.00 61.98 59.81 3hwi s VAL 196 Cb -0.15 -1.44 -0.18 0.00 0.00 0.00 0.00 36.38 34.62 3hwi s VAL 196 CO 0.02 -0.90 1.22 -2.65 0.00 0.00 0.00 175.10 172.79 3hwi n PRO 197 N 4.10 0.75 -0.35 2.72 -0.02 -1.26 -4.26 135.00 136.68 3hwi n PRO 197 Ca 0.07 0.27 0.04 0.00 -2.02 0.00 0.00 63.50 61.86 3hwi n PRO 197 Cb 0.37 -1.84 0.19 0.00 -0.02 0.00 0.00 33.50 32.20 3hwi n PRO 197 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3hwi h TRP 198 N 3.86 1.12 0.00 6.00 5.08 -1.73 -2.05 115.95 128.23 3hwi h TRP 198 Ca -0.48 0.03 0.00 0.00 1.08 0.00 0.00 58.89 59.52 3hwi h TRP 198 Cb 1.37 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 27.17 3hwi h TRP 198 CO 0.58 0.53 0.00 -1.13 -1.28 0.00 0.00 178.44 177.14 3hwi n SER 199 N -4.58 0.03 0.22 0.11 3.41 -1.26 -2.05 113.62 109.51 3hwi n SER 199 Ca 0.16 0.51 0.15 0.00 -0.26 0.00 0.00 58.87 59.43 3hwi n SER 199 Cb 0.24 -0.52 0.68 0.00 -0.26 0.00 0.00 64.21 64.35 3hwi n SER 199 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3hwi h ARG 200 N 0.00 0.00 -0.01 4.33 3.08 -1.71 -2.16 114.38 117.91 3hwi h ARG 200 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hwi h ARG 200 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.21 3hwi h ARG 200 CO 0.00 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.84 3hwi n ALA 201 N -1.94 2.70 -2.40 0.04 0.00 -0.87 -4.90 120.51 113.15 3hwi n ALA 201 Ca 0.00 -0.34 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 3hwi n ALA 201 Cb 0.21 -1.29 -0.14 0.00 0.00 0.00 0.00 19.45 18.23 3hwi n ALA 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hwi s ALA 202 N -2.17 2.42 0.80 0.00 0.00 -0.81 -1.38 121.76 120.61 3hwi s ALA 202 Ca 0.37 -1.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 3hwi s ALA 202 Cb 0.21 -0.75 0.07 0.00 0.00 0.00 0.00 23.12 22.65 3hwi s ALA 202 CO 0.40 0.55 1.09 -0.80 0.00 0.00 0.00 175.76 177.00 3hwi s ASN 203 N -0.76 4.40 0.43 0.00 0.01 0.92 -4.87 114.94 115.07 3hwi s ASN 203 Ca 0.11 1.40 0.09 0.00 -0.71 0.00 0.00 52.86 53.75 3hwi s ASN 203 Cb -0.10 -2.14 0.95 0.00 0.41 0.00 0.00 41.25 40.37 3hwi s ASN 203 CO 0.00 -2.04 2.08 1.05 -1.51 0.00 0.00 177.10 176.68 3hwi h GLU 204 N -1.14 0.43 0.00 -0.60 4.11 -1.96 -1.58 114.58 113.84 3hwi h GLU 204 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3hwi h GLU 204 Cb 1.26 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3hwi h GLU 204 CO 0.58 0.28 0.00 -0.40 0.07 0.00 0.00 179.01 179.54 3hwi n ASP 205 N -4.49 0.00 0.00 3.06 5.75 -1.26 -4.91 116.55 114.70 3hwi n ASP 205 Ca 0.02 -0.82 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 3hwi n ASP 205 Cb 0.08 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3hwi n ASP 205 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hwi n GLY 206 N 0.69 3.46 3.75 6.12 0.00 -0.59 -3.00 105.19 115.61 3hwi n GLY 206 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 3hwi n GLY 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hwi s THR 207 N -2.89 2.95 0.52 2.61 -4.23 -1.26 -3.87 115.64 109.47 3hwi s THR 207 Ca 0.00 0.35 -0.21 0.00 -1.18 0.00 0.00 61.69 60.66 3hwi s THR 207 Cb 0.00 -2.77 -0.06 0.00 1.34 0.00 0.00 72.50 71.01 3hwi s THR 207 CO 0.00 -0.36 1.15 -0.36 -0.54 0.00 0.00 174.62 174.51 3hwi s PHE 208 N -2.63 2.72 0.83 3.99 0.08 -1.26 -0.06 117.98 121.66 3hwi s PHE 208 Ca 0.65 1.54 -0.12 0.00 0.12 0.00 0.00 56.93 59.12 3hwi s PHE 208 Cb -0.20 -3.33 0.09 0.00 -0.57 0.00 0.00 43.02 39.01 3hwi s PHE 208 CO 0.52 -1.58 1.10 0.15 -0.10 0.00 0.00 175.22 175.31 3hwi s LYS 209 N -3.09 1.80 0.78 0.44 1.02 -0.48 -4.68 119.74 115.53 3hwi s LYS 209 Ca 0.70 0.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.18 3hwi s LYS 209 Cb -0.26 -1.89 0.07 0.00 -0.52 0.00 0.00 37.83 35.23 3hwi s LYS 209 CO 0.30 -1.81 1.10 -1.54 -0.92 0.00 0.00 175.35 172.48 3hwi s SER 210 N -3.86 4.33 0.34 2.83 1.04 -1.26 -4.72 113.70 112.40 3hwi s SER 210 Ca 0.62 1.89 0.06 0.00 0.48 0.00 0.00 55.95 59.00 3hwi s SER 210 Cb -0.15 -2.53 0.74 0.00 0.10 0.00 0.00 66.02 64.18 3hwi s SER 210 CO 0.54 -2.16 1.89 0.44 0.98 0.00 0.00 173.24 174.94 3hwi h ASP 211 N -1.15 0.71 0.15 7.02 3.32 -1.95 0.46 116.42 124.98 3hwi h ASP 211 Ca -0.44 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.63 3hwi h ASP 211 Cb 1.24 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3hwi h ASP 211 CO 0.50 0.40 -0.07 -0.08 -1.72 0.00 0.00 179.24 178.27 3hwi h GLU 212 N 0.78 -0.19 -0.25 3.56 4.81 -1.99 0.91 114.58 122.20 3hwi h GLU 212 Ca 0.41 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.70 3hwi h GLU 212 Cb 0.52 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.91 3hwi h GLU 212 CO -0.18 0.06 -0.01 0.93 -0.73 0.00 0.00 179.01 179.07 3hwi h GLU 213 N -0.43 0.06 -0.66 1.92 5.08 -1.73 -2.48 114.58 116.34 3hwi h GLU 213 Ca -0.02 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3hwi h GLU 213 Cb 0.34 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.53 3hwi h GLU 213 CO 0.03 0.04 0.40 -0.07 -1.00 0.00 0.00 179.01 178.41 3hwi h LEU 214 N 0.06 0.63 -0.62 1.33 3.38 0.00 -1.84 115.31 118.26 3hwi h LEU 214 Ca 0.12 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 3hwi h LEU 214 Cb 0.16 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3hwi h LEU 214 CO -0.21 0.43 -0.47 0.00 0.09 0.00 0.00 178.44 178.28 3hwi h ALA 215 N 1.30 0.79 -0.12 1.53 0.00 -0.60 -2.65 119.26 119.52 3hwi h ALA 215 Ca 0.28 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3hwi h ALA 215 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hwi h ALA 215 CO -0.13 0.66 -0.03 -0.22 0.00 0.00 0.00 179.25 179.54 3hwi h LYS 216 N 0.44 0.22 -0.61 0.00 3.64 -1.31 -0.56 116.57 118.39 3hwi h LYS 216 Ca 0.03 -0.08 0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3hwi h LYS 216 Cb 0.98 -0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.67 3hwi h LYS 216 CO 0.09 0.52 -0.22 1.25 -2.27 0.00 0.00 179.45 178.82 3hwi h LEU 217 N -0.09 -0.79 -0.16 5.20 5.85 -1.19 0.42 115.31 124.55 3hwi h LEU 217 Ca 0.03 0.20 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 3hwi h LEU 217 Cb 0.44 0.46 0.01 0.00 0.37 0.00 0.00 40.66 41.93 3hwi h LEU 217 CO 0.01 -0.25 -0.90 1.88 -0.34 0.00 0.00 178.44 178.84 3hwi h TYR 218 N -0.07 0.82 0.05 1.25 0.05 -1.45 -2.78 116.97 114.84 3hwi h TYR 218 Ca 0.28 -0.41 0.00 0.00 0.05 0.00 0.00 58.73 58.65 3hwi h TYR 218 Cb 0.50 -0.11 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 3hwi h TYR 218 CO -0.56 1.23 -0.06 0.00 -1.05 0.00 0.00 178.16 177.72 3hwi h ALA 219 N 0.64 -0.11 -0.39 3.88 0.00 -0.72 -0.82 119.26 121.75 3hwi h ALA 219 Ca -0.08 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3hwi h ALA 219 Cb 1.53 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.39 3hwi h ALA 219 CO 0.17 -0.57 0.21 -0.44 0.00 0.00 0.00 179.25 178.61 3hwi h ASP 220 N -0.14 0.47 1.27 0.00 3.32 -0.19 -2.42 116.42 118.73 3hwi h ASP 220 Ca 0.01 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.03 3hwi h ASP 220 Cb 0.14 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3hwi h ASP 220 CO -0.03 0.39 0.00 0.00 -1.72 0.00 0.00 179.24 177.88 3hwi n ALA 221 N -2.48 2.24 0.00 3.45 0.00 -1.05 -4.92 120.51 117.75 3hwi n ALA 221 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3hwi n ALA 221 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.09 3hwi n ALA 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hwi n GLY 222 N 1.24 1.33 3.67 0.00 0.00 -0.91 -4.81 105.19 105.71 3hwi n GLY 222 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3hwi n GLY 222 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hwi s LEU 223 N 0.00 4.37 -0.36 0.99 0.20 -0.35 -4.94 118.68 118.60 3hwi s LEU 223 Ca 0.00 2.46 -0.15 0.00 0.69 0.00 0.00 54.13 57.13 3hwi s LEU 223 Cb 0.00 -3.54 -0.01 0.00 -0.43 0.00 0.00 46.19 42.21 3hwi s LEU 223 CO 0.00 -0.95 0.34 -0.62 -0.29 0.00 0.00 176.35 174.83 3hwi s ASP 224 N 3.31 6.15 0.00 3.68 -1.08 -1.26 -4.68 116.67 122.78 3hwi s ASP 224 Ca 0.78 -0.41 0.17 0.00 -0.52 0.00 0.00 52.55 52.57 3hwi s ASP 224 Cb -0.39 -2.18 0.82 0.00 -1.46 0.00 0.00 42.92 39.72 3hwi s ASP 224 CO 0.34 -0.36 1.50 0.59 0.52 0.00 0.00 175.17 177.76 3hwi n ASN 225 N 5.33 0.00 -0.00 -0.34 3.02 -1.26 -1.47 115.26 120.53 3hwi n ASN 225 Ca -0.10 0.13 0.14 0.00 -0.03 0.00 0.00 54.58 54.72 3hwi n ASN 225 Cb 0.49 -0.32 0.68 0.00 -0.61 0.00 0.00 39.78 40.01 3hwi n ASN 225 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3hwi n SER 226 N -1.32 0.00 -4.40 6.41 3.41 -1.26 -4.92 113.62 111.54 3hwi n SER 226 Ca 0.07 0.23 -0.27 0.00 -0.26 0.00 0.00 58.87 58.65 3hwi n SER 226 Cb 0.15 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.56 3hwi n SER 226 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hwi s LYS 227 N -2.82 1.43 1.03 4.33 1.02 -0.54 -5.13 119.74 119.05 3hwi s LYS 227 Ca 0.20 -1.43 -0.16 0.00 0.02 0.00 0.00 55.97 54.60 3hwi s LYS 227 Cb 0.20 -1.80 0.21 0.00 -0.52 0.00 0.00 37.83 35.92 3hwi s LYS 227 CO 0.50 0.40 1.17 -1.21 -0.92 0.00 0.00 175.35 175.29 3hwi s GLU 228 N -2.42 0.16 0.01 1.68 2.02 -1.26 -4.70 118.70 114.18 3hwi s GLU 228 Ca 0.17 0.01 0.01 0.00 0.02 0.00 0.00 54.97 55.18 3hwi s GLU 228 Cb -0.09 -1.75 -0.01 0.00 0.10 0.00 0.00 34.13 32.38 3hwi s GLU 228 CO 0.08 -2.81 -0.03 0.99 0.02 0.00 0.00 175.26 173.52 3hwi s THR 229 N -3.31 0.17 -0.07 3.63 2.01 -0.53 -0.74 115.64 116.80 3hwi s THR 229 Ca 0.69 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 62.29 3hwi s THR 229 Cb -0.11 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.21 3hwi s THR 229 CO 0.54 -0.15 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.60 3hwi s ILE 230 N -0.57 0.93 -0.02 1.82 1.01 0.04 -1.26 121.20 123.14 3hwi s ILE 230 Ca -0.05 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.25 3hwi s ILE 230 Cb -0.04 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.50 3hwi s ILE 230 CO -0.00 0.32 0.13 0.00 0.00 0.00 0.00 174.94 175.38 3hwi s ALA 231 N 0.95 3.77 0.08 9.38 0.00 -0.74 -0.49 121.76 134.71 3hwi s ALA 231 Ca -0.10 -0.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.92 3hwi s ALA 231 Cb -0.15 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.24 3hwi s ALA 231 CO 0.00 0.70 0.35 1.52 0.00 0.00 0.00 175.76 178.34 3hwi s TYR 232 N -1.22 -0.14 0.00 0.00 -0.85 0.19 -1.79 117.35 113.54 3hwi s TYR 232 Ca 0.23 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.71 3hwi s TYR 232 Cb -0.12 0.16 0.00 0.00 0.38 0.00 0.00 41.96 42.38 3hwi s TYR 232 CO 0.14 -0.59 0.00 0.00 -1.52 0.00 0.00 175.55 173.58 3hwi h ARG 234 N 0.00 0.28 -4.81 0.00 3.08 -1.93 -0.70 114.38 110.29 3hwi h ARG 234 Ca 0.00 -0.48 -0.36 0.00 0.07 0.00 0.00 59.98 59.20 3hwi h ARG 234 Cb 0.00 0.18 -0.25 0.00 0.08 0.00 0.00 29.97 29.98 3hwi h ARG 234 CO 0.00 1.23 -0.77 0.96 -1.07 0.00 0.00 179.97 180.32 3hwi s ILE 235 N -2.56 0.75 0.64 2.04 -4.36 -1.26 -1.78 121.20 114.68 3hwi s ILE 235 Ca -0.22 -0.78 0.30 0.00 -0.26 0.00 0.00 60.65 59.69 3hwi s ILE 235 Cb 0.06 -0.70 0.33 0.00 1.25 0.00 0.00 42.46 43.40 3hwi s ILE 235 CO 0.78 -0.06 1.95 1.23 0.24 0.00 0.00 174.94 179.08 3hwi h GLY 236 N 5.16 0.00 2.00 6.27 0.00 -0.85 0.30 103.07 115.95 3hwi h GLY 236 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3hwi h GLY 236 CO 0.45 0.00 -0.01 0.83 0.00 0.00 0.00 176.54 177.81 3hwi h GLU 237 N 0.00 0.00 -0.00 4.80 3.07 -1.95 -2.82 114.58 117.67 3hwi h GLU 237 Ca 0.05 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.91 3hwi h GLU 237 Cb 0.73 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.64 3hwi h GLU 237 CO -0.00 0.01 -0.75 0.54 -1.40 0.00 0.00 179.01 177.41 3hwi n ARG 238 N -4.16 0.99 -0.00 2.33 1.74 0.09 -4.02 116.66 113.63 3hwi n ARG 238 Ca -0.03 -0.27 0.11 0.00 -0.77 0.00 0.00 57.85 56.89 3hwi n ARG 238 Cb 0.09 -1.39 0.09 0.00 -1.02 0.00 0.00 32.46 30.24 3hwi n ARG 238 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3hwi n SER 239 N -1.04 2.88 -0.10 0.55 3.41 -1.08 -4.50 113.62 113.74 3hwi n SER 239 Ca 0.05 -1.94 -0.08 0.00 -0.26 0.00 0.00 58.87 56.64 3hwi n SER 239 Cb 0.33 -0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.36 3hwi n SER 239 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hwi h SER 240 N 4.42 0.82 -0.40 4.04 0.02 -1.65 -2.35 113.55 118.45 3hwi h SER 240 Ca 0.00 -0.29 0.06 0.00 -0.84 0.00 0.00 61.79 60.71 3hwi h SER 240 Cb 0.94 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 63.21 3hwi h SER 240 CO 0.00 1.01 0.11 -0.74 -1.14 0.00 0.00 176.83 176.07 3hwi h HIS 241 N 0.70 0.19 -0.38 3.45 6.17 -1.79 0.32 115.15 123.81 3hwi h HIS 241 Ca 0.10 0.02 -0.16 0.00 0.71 0.00 0.00 60.37 61.04 3hwi h HIS 241 Cb 0.73 -0.02 -0.01 0.00 2.52 0.00 0.00 27.41 30.63 3hwi h HIS 241 CO 0.04 0.05 -0.37 1.15 0.71 0.00 0.00 177.93 179.51 3hwi h THR 242 N 0.25 1.27 -0.65 6.26 2.02 -1.85 -1.86 112.91 118.35 3hwi h THR 242 Ca 0.19 -1.55 0.10 0.00 0.77 0.00 0.00 66.41 65.92 3hwi h THR 242 Cb 0.20 1.39 -0.08 0.00 -1.74 0.00 0.00 68.15 67.93 3hwi h THR 242 CO -0.22 0.52 0.27 -0.25 0.37 0.00 0.00 175.52 176.20 3hwi h TRP 243 N 0.74 0.46 -0.72 3.16 7.01 -0.83 -1.14 115.95 124.64 3hwi h TRP 243 Ca 0.06 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3hwi h TRP 243 Cb 0.97 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.89 3hwi h TRP 243 CO 0.06 0.12 0.40 0.35 -2.79 0.00 0.00 178.44 176.58 3hwi h PHE 244 N 0.45 0.98 -0.65 2.65 3.57 -0.46 -0.79 116.94 122.70 3hwi h PHE 244 Ca 0.33 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.81 3hwi h PHE 244 Cb 0.42 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 3hwi h PHE 244 CO -0.16 0.69 0.39 0.28 -2.23 0.00 0.00 178.31 177.28 3hwi h VAL 245 N 0.99 1.19 0.06 1.41 2.07 -0.70 0.11 116.25 121.37 3hwi h VAL 245 Ca 0.25 -0.42 -0.09 0.00 0.82 0.00 0.00 66.70 67.27 3hwi h VAL 245 Cb 0.03 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3hwi h VAL 245 CO -0.04 0.20 -0.37 -0.07 0.02 0.00 0.00 177.57 177.30 3hwi h LEU 246 N 0.88 0.22 0.10 2.57 3.38 -0.99 0.59 115.31 122.05 3hwi h LEU 246 Ca 0.23 -0.96 -0.20 0.00 0.09 0.00 0.00 57.88 57.04 3hwi h LEU 246 Cb -0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3hwi h LEU 246 CO -0.04 1.17 -0.98 -0.09 0.09 0.00 0.00 178.44 178.59 3hwi h ARG 247 N -0.68 0.20 0.05 1.13 2.43 -1.22 -0.94 114.38 115.35 3hwi h ARG 247 Ca -0.06 -0.35 -0.31 0.00 -0.81 0.00 0.00 59.98 58.45 3hwi h ARG 247 Cb 1.28 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 3hwi h ARG 247 CO 0.07 1.17 -1.74 0.93 -1.51 0.00 0.00 179.97 178.89 3hwi h GLU 248 N -0.50 0.11 0.00 0.20 4.39 -0.98 -2.98 114.58 114.82 3hwi h GLU 248 Ca -0.21 -0.18 -0.17 0.00 0.34 0.00 0.00 59.36 59.14 3hwi h GLU 248 Cb 1.56 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 30.26 3hwi h GLU 248 CO 0.06 0.79 -1.28 1.28 -1.16 0.00 0.00 179.01 178.70 3hwi n LEU 249 N -3.23 1.88 0.11 1.33 4.77 -0.80 -4.41 117.00 116.66 3hwi n LEU 249 Ca -0.20 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 3hwi n LEU 249 Cb 1.05 -0.86 0.42 0.00 -2.33 0.00 0.00 43.42 41.70 3hwi n LEU 249 CO 0.45 0.02 0.88 0.18 -1.33 0.00 0.00 177.39 177.59 3hwi n LEU 250 N -4.45 0.81 -0.07 2.23 4.77 0.19 -4.95 117.00 115.53 3hwi n LEU 250 Ca -0.26 0.60 -0.01 0.00 -0.03 0.00 0.00 56.01 56.31 3hwi n LEU 250 Cb 0.58 -0.37 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3hwi n LEU 250 CO 0.13 -0.27 -0.01 0.61 -1.33 0.00 0.00 177.39 176.52 3hwi n GLY 251 N 1.01 0.45 3.70 -0.72 0.00 -1.03 -4.97 105.19 103.62 3hwi n GLY 251 Ca 0.05 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 3hwi n GLY 251 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hwi s HIS 252 N -2.03 3.14 0.14 1.61 3.76 -0.39 -4.90 115.29 116.62 3hwi s HIS 252 Ca 0.00 1.06 0.13 0.00 -0.15 0.00 0.00 55.06 56.09 3hwi s HIS 252 Cb 0.00 -3.54 0.25 0.00 1.11 0.00 0.00 32.58 30.40 3hwi s HIS 252 CO 0.00 -1.85 1.53 -0.56 -0.85 0.00 0.00 174.74 173.01 3hwi h GLN 253 N 7.35 0.00 -3.08 1.40 -0.00 -1.88 -3.38 115.11 115.51 3hwi h GLN 253 Ca -0.38 0.00 -0.62 0.00 -0.00 0.00 0.00 58.65 57.65 3hwi h GLN 253 Cb 1.19 0.00 -0.42 0.00 -0.00 0.00 0.00 27.48 28.25 3hwi h GLN 253 CO 0.87 0.63 -0.58 -0.80 -0.00 0.00 0.00 178.83 178.95 3hwi s ASN 254 N -6.64 4.75 -0.12 0.06 0.01 -1.26 -5.05 114.94 106.69 3hwi s ASN 254 Ca 0.00 -3.82 0.02 0.00 -0.71 0.00 0.00 52.86 48.36 3hwi s ASN 254 Cb 0.11 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 40.16 3hwi s ASN 254 CO 0.75 -0.09 -0.18 -0.69 -1.51 0.00 0.00 177.10 175.38 3hwi s VAL 255 N -1.39 1.75 0.12 1.60 1.01 -1.26 -1.46 120.40 120.77 3hwi s VAL 255 Ca 0.25 -0.79 0.06 0.00 0.00 0.00 0.00 61.98 61.50 3hwi s VAL 255 Cb -0.05 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3hwi s VAL 255 CO -0.16 0.49 -0.03 -0.54 0.00 0.00 0.00 175.10 174.86 3hwi s LYS 256 N 0.94 2.38 -0.36 2.72 1.02 -0.39 -4.46 119.74 121.60 3hwi s LYS 256 Ca -0.06 -0.97 -0.13 0.00 0.02 0.00 0.00 55.97 54.83 3hwi s LYS 256 Cb -0.15 -2.42 -0.00 0.00 -0.52 0.00 0.00 37.83 34.74 3hwi s LYS 256 CO -0.02 0.51 0.24 1.21 -0.92 0.00 0.00 175.35 176.37 3hwi s ASN 257 N -2.47 6.00 -1.01 2.83 2.47 -0.06 -1.79 114.94 120.91 3hwi s ASN 257 Ca 0.25 -0.60 -0.23 0.00 0.42 0.00 0.00 52.86 52.70 3hwi s ASN 257 Cb -0.11 -2.12 0.02 0.00 -1.45 0.00 0.00 41.25 37.59 3hwi s ASN 257 CO 0.17 -0.30 1.60 -0.47 -3.72 0.00 0.00 177.10 174.38 3hwi s TYR 258 N 1.69 2.35 0.27 0.43 5.04 -0.74 -1.11 117.35 125.28 3hwi s TYR 258 Ca 0.05 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 54.17 3hwi s TYR 258 Cb -0.18 -4.52 0.35 0.00 0.35 0.00 0.00 41.96 37.96 3hwi s TYR 258 CO 0.10 -1.87 1.86 0.38 -1.34 0.00 0.00 175.55 174.68 3hwi h ASP 259 N 10.06 0.91 -0.70 4.32 2.03 -1.86 -2.71 116.42 128.47 3hwi h ASP 259 Ca 0.19 -0.11 0.15 0.00 -0.73 0.00 0.00 57.03 56.53 3hwi h ASP 259 Cb 1.00 -0.23 -0.12 0.00 -0.83 0.00 0.00 39.33 39.14 3hwi h ASP 259 CO 1.37 0.79 -0.04 1.23 -1.03 0.00 0.00 179.24 181.57 3hwi h GLY 260 N 1.06 0.71 0.00 7.15 0.00 -1.89 0.18 103.07 110.27 3hwi h GLY 260 Ca 0.24 0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.70 3hwi h GLY 260 CO -0.03 -0.26 0.00 1.44 0.00 0.00 0.00 176.54 177.70 3hwi n SER 261 N -5.35 -2.67 0.02 0.19 7.64 -1.02 -2.12 113.62 110.30 3hwi n SER 261 Ca 0.11 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.95 3hwi n SER 261 Cb 0.41 0.00 0.19 0.00 -1.01 0.00 0.00 64.21 63.80 3hwi n SER 261 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3hwi h TRP 262 N 0.00 0.54 -0.85 1.43 2.91 -1.06 0.30 115.95 119.23 3hwi h TRP 262 Ca 0.00 -0.12 0.12 0.00 1.13 0.00 0.00 58.89 60.01 3hwi h TRP 262 Cb 0.00 -0.13 -0.06 0.00 -0.51 0.00 0.00 29.16 28.46 3hwi h TRP 262 CO 0.00 0.72 0.55 1.79 -1.03 0.00 0.00 178.44 180.47 3hwi h THR 263 N 0.42 0.90 0.00 2.65 1.35 -1.44 0.41 112.91 117.21 3hwi h THR 263 Ca 0.06 -0.25 -0.01 0.00 -0.55 0.00 0.00 66.41 65.65 3hwi h THR 263 Cb 0.71 0.10 -0.00 0.00 -1.73 0.00 0.00 68.15 67.23 3hwi h THR 263 CO 0.05 0.13 -0.11 -0.08 -0.25 0.00 0.00 175.52 175.27 3hwi h GLU 264 N 0.74 0.00 -0.69 4.72 4.81 -0.99 -3.37 114.58 119.80 3hwi h GLU 264 Ca 0.41 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.72 3hwi h GLU 264 Cb 0.56 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 3hwi h GLU 264 CO -0.17 0.49 0.36 -0.92 -0.73 0.00 0.00 179.01 178.03 3hwi h TYR 265 N -1.00 0.65 0.00 0.92 3.20 -0.13 -1.11 116.97 119.49 3hwi h TYR 265 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3hwi h TYR 265 Cb 0.54 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.62 3hwi h TYR 265 CO 0.11 0.27 0.00 0.41 -1.64 0.00 0.00 178.16 177.31 3hwi n GLY 266 N -1.29 -0.72 0.00 1.82 0.00 0.14 -2.27 105.19 102.87 3hwi n GLY 266 Ca 0.10 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3hwi n GLY 266 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hwi n SER 267 N -0.81 0.10 -4.72 1.61 7.64 -0.48 -1.48 113.62 115.49 3hwi n SER 267 Ca 0.11 -0.47 -0.42 0.00 1.01 0.00 0.00 58.87 59.10 3hwi n SER 267 Cb 0.05 0.68 -0.03 0.00 -1.01 0.00 0.00 64.21 63.89 3hwi n SER 267 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hwi s LEU 268 N -1.35 4.37 0.23 -3.43 1.43 -0.86 -4.98 118.68 114.09 3hwi s LEU 268 Ca 0.00 2.61 -0.30 0.00 -1.03 0.00 0.00 54.13 55.40 3hwi s LEU 268 Cb 0.00 -3.59 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 3hwi s LEU 268 CO 0.00 -0.82 1.45 -0.69 0.23 0.00 0.00 176.35 176.52 3hwi s VAL 269 N 1.16 2.68 0.00 -1.59 1.01 -1.26 -3.73 120.40 118.67 3hwi s VAL 269 Ca 0.70 0.56 0.00 0.00 0.00 0.00 0.00 61.98 63.23 3hwi s VAL 269 Cb -0.43 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 32.59 3hwi s VAL 269 CO 0.31 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3hwi n GLY 270 N 2.46 0.62 3.75 4.51 0.00 -1.26 -5.01 105.19 110.26 3hwi n GLY 270 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3hwi n GLY 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hwi s ALA 271 N -2.73 3.43 0.35 4.61 0.00 -1.24 -5.00 121.76 121.16 3hwi s ALA 271 Ca 0.00 0.96 -0.28 0.00 0.00 0.00 0.00 51.96 52.63 3hwi s ALA 271 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.65 3hwi s ALA 271 CO 0.00 -0.27 1.35 -2.14 0.00 0.00 0.00 175.76 174.70 3hwi s PRO 272 N -1.20 4.27 0.02 0.00 0.02 -1.26 -5.02 135.00 131.83 3hwi s PRO 272 Ca 0.47 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.81 3hwi s PRO 272 Cb -0.33 -3.02 -0.02 0.00 0.02 0.00 0.00 34.50 31.15 3hwi s PRO 272 CO 0.42 -0.30 -0.06 0.42 -0.33 0.00 0.00 177.00 177.15 3hwi s ILE 273 N -1.14 0.43 -0.02 2.83 1.01 -1.26 -4.36 121.20 118.69 3hwi s ILE 273 Ca 0.50 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.45 3hwi s ILE 273 Cb -0.41 -0.46 0.00 0.00 0.01 0.00 0.00 42.46 41.60 3hwi s ILE 273 CO 0.55 -0.21 -0.07 -0.70 0.00 0.00 0.00 174.94 174.51 3hwi s GLU 274 N -1.00 0.79 0.46 2.79 2.12 -0.75 -4.85 118.70 118.26 3hwi s GLU 274 Ca -0.06 -0.25 0.08 0.00 0.36 0.00 0.00 54.97 55.10 3hwi s GLU 274 Cb -0.07 -0.76 0.01 0.00 0.26 0.00 0.00 34.13 33.57 3hwi s GLU 274 CO 0.00 0.09 0.46 -0.51 -0.54 0.00 0.00 175.26 174.76 3hwi s LEU 275 N 0.21 3.27 0.00 2.70 1.43 -1.26 -1.34 118.68 123.68 3hwi s LEU 275 Ca -0.03 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 3hwi s LEU 275 Cb -0.08 -1.92 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3hwi s LEU 275 CO 0.00 -0.83 0.00 0.61 0.23 0.00 0.00 176.35 176.36 3hwi n GLY 276 N -1.71 -2.26 0.00 -3.19 0.00 0.10 -5.01 105.19 93.12 3hwi n GLY 276 Ca 0.05 -1.46 0.05 0.00 0.00 0.00 0.00 46.02 44.66 3hwi n GLY 276 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18