#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwe s LYS 24 N 0.00 0.36 -0.13 2.12 2.36 -1.26 -5.11 119.74 118.08 1jwe s LYS 24 Ca 0.00 -0.50 -0.18 0.00 -2.55 0.00 0.00 55.97 52.74 1jwe s LYS 24 Cb 0.00 -1.69 -0.04 0.00 -1.05 0.00 0.00 37.83 35.05 1jwe s LYS 24 CO 0.00 -0.85 0.47 0.08 1.55 0.00 0.00 175.35 176.60 1jwe s VAL 25 N 1.97 5.19 0.27 4.02 1.01 -1.26 -5.08 120.40 126.52 1jwe s VAL 25 Ca 0.05 0.92 -0.30 0.00 0.00 0.00 0.00 61.98 62.66 1jwe s VAL 25 Cb -0.16 -3.81 -0.10 0.00 0.00 0.00 0.00 36.38 32.31 1jwe s VAL 25 CO -0.22 0.31 1.44 -2.16 0.00 0.00 0.00 175.10 174.48 1jwe s PRO 26 N 0.74 4.25 0.39 2.72 0.04 -1.26 -4.92 135.00 136.97 1jwe s PRO 26 Ca 0.25 2.33 0.18 0.00 0.04 0.00 0.00 61.00 63.81 1jwe s PRO 26 Cb -0.15 -3.09 0.80 0.00 0.04 0.00 0.00 34.50 32.10 1jwe s PRO 26 CO 0.10 -0.42 1.81 -1.00 0.04 0.00 0.00 177.00 177.52 1jwe h PRO 27 N 4.75 0.00 -1.93 0.56 0.13 -1.97 -3.49 132.00 130.04 1jwe h PRO 27 Ca -0.47 0.00 0.19 0.00 -0.87 0.00 0.00 66.00 64.86 1jwe h PRO 27 Cb 1.22 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.29 1jwe h PRO 27 CO 0.76 0.34 -0.36 -2.39 -0.23 0.00 0.00 178.00 176.12 1jwe n HIS 28 N -3.70 -1.87 -2.34 1.56 1.44 -1.26 -4.91 115.22 104.15 1jwe n HIS 28 Ca -0.01 0.96 -0.00 0.00 -2.01 0.00 0.00 57.72 56.65 1jwe n HIS 28 Cb 0.44 -1.70 -0.01 0.00 0.12 0.00 0.00 29.99 28.85 1jwe n HIS 28 CO 0.00 0.00 0.00 0.43 -2.81 0.00 0.00 176.34 173.96 1jwe n SER 29 N -4.29 0.20 -0.28 4.39 7.64 -1.26 -4.99 113.62 115.03 1jwe n SER 29 Ca -0.01 -2.01 -0.07 0.00 1.01 0.00 0.00 58.87 57.79 1jwe n SER 29 Cb 0.59 -0.05 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 1jwe n SER 29 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1jwe n ILE 30 N 0.18 -0.46 0.07 0.44 2.08 -1.26 -0.24 119.36 120.17 1jwe n ILE 30 Ca -0.07 2.02 -0.01 0.00 0.56 0.00 0.00 62.75 65.24 1jwe n ILE 30 Cb 0.96 -2.53 0.26 0.00 -0.75 0.00 0.00 39.64 37.58 1jwe n ILE 30 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 1jwe h GLU 31 N 0.00 0.34 -0.19 0.38 5.08 -1.98 0.21 114.58 118.43 1jwe h GLU 31 Ca 0.11 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1jwe h GLU 31 Cb 0.28 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1jwe h GLU 31 CO -0.63 0.59 0.06 0.00 -1.00 0.00 0.00 179.01 178.02 1jwe h ALA 32 N 1.42 0.25 -0.54 3.43 0.00 -1.69 0.70 119.26 122.83 1jwe h ALA 32 Ca 0.05 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 54.92 1jwe h ALA 32 Cb 0.63 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1jwe h ALA 32 CO 0.05 -0.13 0.11 0.93 0.00 0.00 0.00 179.25 180.20 1jwe h GLU 33 N 0.13 0.23 -0.62 0.00 5.08 -0.14 -0.18 114.58 119.09 1jwe h GLU 33 Ca 0.06 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1jwe h GLU 33 Cb 0.22 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1jwe h GLU 33 CO -0.00 0.15 0.32 1.96 -1.00 0.00 0.00 179.01 180.45 1jwe h GLN 34 N 0.24 0.88 -0.42 2.33 4.20 -0.37 -0.72 115.11 121.24 1jwe h GLN 34 Ca 0.27 -0.11 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1jwe h GLN 34 Cb 0.39 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 1jwe h GLN 34 CO -0.36 0.68 0.09 0.77 -0.67 0.00 0.00 178.83 179.34 1jwe h SER 35 N 0.85 0.59 0.42 1.46 0.02 -0.00 0.82 113.55 117.70 1jwe h SER 35 Ca 0.22 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1jwe h SER 35 Cb 0.07 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.47 1jwe h SER 35 CO -0.03 0.60 -0.20 0.58 -1.14 0.00 0.00 176.83 176.64 1jwe h VAL 36 N 0.62 0.54 -0.10 2.27 2.07 -0.66 -0.95 116.25 120.04 1jwe h VAL 36 Ca 0.14 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.27 1jwe h VAL 36 Cb 0.26 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 1jwe h VAL 36 CO -0.00 0.07 0.01 -0.07 0.02 0.00 0.00 177.57 177.60 1jwe h LEU 37 N -0.81 -0.01 -1.22 2.57 3.38 -0.68 0.16 115.31 118.70 1jwe h LEU 37 Ca -0.06 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1jwe h LEU 37 Cb 0.55 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1jwe h LEU 37 CO 0.09 0.01 0.14 1.23 0.09 0.00 0.00 178.44 180.01 1jwe h GLY 38 N 0.05 0.74 0.67 0.83 0.00 -0.96 -1.55 103.07 102.85 1jwe h GLY 38 Ca 0.05 -0.39 0.06 0.00 0.00 0.00 0.00 47.33 47.05 1jwe h GLY 38 CO -0.07 0.36 0.39 -1.33 0.00 0.00 0.00 176.54 175.90 1jwe h GLY 39 N 0.86 1.03 1.01 4.60 0.00 0.31 0.63 103.07 111.52 1jwe h GLY 39 Ca 0.16 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1jwe h GLY 39 CO -0.01 0.16 0.30 1.41 0.00 0.00 0.00 176.54 178.41 1jwe h LEU 40 N 0.72 0.90 -1.39 3.11 3.38 -0.52 -0.33 115.31 121.18 1jwe h LEU 40 Ca 0.31 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 1jwe h LEU 40 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1jwe h LEU 40 CO -0.19 0.80 -0.25 0.24 0.09 0.00 0.00 178.44 179.13 1jwe h MET 41 N 0.94 0.00 0.01 1.13 2.86 -0.38 -2.82 114.93 116.68 1jwe h MET 41 Ca 0.23 0.00 -0.30 0.00 -2.06 0.00 0.00 59.70 57.57 1jwe h MET 41 Cb 0.15 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.76 1jwe h MET 41 CO -0.03 0.25 -1.77 1.28 1.06 0.00 0.00 176.91 177.70 1jwe n LEU 42 N -3.65 1.03 -3.45 1.22 4.32 0.13 -4.50 117.00 112.10 1jwe n LEU 42 Ca -0.01 0.38 -0.21 0.00 -0.02 0.00 0.00 56.01 56.15 1jwe n LEU 42 Cb 0.37 0.05 -0.11 0.00 -1.62 0.00 0.00 43.42 42.11 1jwe n LEU 42 CO 0.34 0.44 -0.22 -0.62 -1.22 0.00 0.00 177.39 176.11 1jwe s ASP 43 N -6.16 2.18 0.44 -1.43 2.15 -0.16 -5.03 116.67 108.65 1jwe s ASP 43 Ca -0.07 -0.86 0.16 0.00 0.43 0.00 0.00 52.55 52.22 1jwe s ASP 43 Cb 0.08 0.25 1.07 0.00 -0.30 0.00 0.00 42.92 44.02 1jwe s ASP 43 CO 0.82 -0.40 1.93 0.78 -0.17 0.00 0.00 175.17 178.14 1jwe h ASN 44 N 8.31 0.36 0.43 -0.34 4.21 -1.75 -1.51 115.58 125.29 1jwe h ASN 44 Ca -0.15 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.37 1jwe h ASN 44 Cb 1.06 -0.05 0.00 0.00 -1.12 0.00 0.00 38.32 38.21 1jwe h ASN 44 CO 0.36 0.19 0.00 -0.33 -1.29 0.00 0.00 177.43 176.36 1jwe h GLU 45 N 0.39 0.00 0.00 0.81 4.39 -1.94 -1.09 114.58 117.14 1jwe h GLU 45 Ca 0.35 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.05 1jwe h GLU 45 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 1jwe h GLU 45 CO -0.10 0.00 0.00 0.54 -1.16 0.00 0.00 179.01 178.29 1jwe n ARG 46 N -2.53 0.03 -0.27 2.33 5.12 -0.57 -2.93 116.66 117.84 1jwe n ARG 46 Ca -0.00 0.16 0.05 0.00 -1.93 0.00 0.00 57.85 56.13 1jwe n ARG 46 Cb 0.16 -1.50 0.16 0.00 -1.16 0.00 0.00 32.46 30.11 1jwe n ARG 46 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 1jwe h TRP 47 N 0.00 -0.14 -0.51 -1.55 2.91 -1.39 -0.61 115.95 114.66 1jwe h TRP 47 Ca 0.00 0.06 -0.05 0.00 1.13 0.00 0.00 58.89 60.03 1jwe h TRP 47 Cb 0.32 0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 29.14 1jwe h TRP 47 CO 0.00 -0.29 0.13 -0.44 -1.03 0.00 0.00 178.44 176.81 1jwe h ASP 48 N 0.07 0.77 0.71 2.65 3.32 -1.78 0.20 116.42 122.36 1jwe h ASP 48 Ca 0.43 -0.23 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 1jwe h ASP 48 Cb 0.75 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 1jwe h ASP 48 CO -0.73 0.80 -1.02 -0.78 -1.72 0.00 0.00 179.24 175.79 1jwe h ASP 49 N 0.71 0.24 0.08 6.45 3.58 -1.55 0.24 116.42 126.16 1jwe h ASP 49 Ca 0.16 -0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.38 1jwe h ASP 49 Cb 0.33 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1jwe h ASP 49 CO 0.00 1.11 -0.04 0.58 -2.88 0.00 0.00 179.24 178.02 1jwe h VAL 50 N 0.07 1.05 0.00 2.25 2.07 -1.12 -1.94 116.25 118.63 1jwe h VAL 50 Ca -0.06 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 1jwe h VAL 50 Cb 1.72 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.83 1jwe h VAL 50 CO 0.15 0.11 -0.04 0.00 0.02 0.00 0.00 177.57 177.81 1jwe h ALA 51 N 0.60 1.08 0.00 1.67 0.00 -0.37 0.38 119.26 122.62 1jwe h ALA 51 Ca -0.01 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1jwe h ALA 51 Cb 0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jwe h ALA 51 CO 0.02 0.05 -0.21 0.93 0.00 0.00 0.00 179.25 180.04 1jwe h GLU 52 N 0.00 0.00 0.02 0.00 5.08 -0.79 -3.35 114.58 115.55 1jwe h GLU 52 Ca -0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 1jwe h GLU 52 Cb 0.31 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1jwe h GLU 52 CO 0.01 0.21 -1.83 0.54 -1.00 0.00 0.00 179.01 176.94 1jwe n ARG 53 N -3.21 0.61 -4.19 2.33 3.00 0.22 -5.05 116.66 110.38 1jwe n ARG 53 Ca 0.02 0.41 -0.11 0.00 -0.01 0.00 0.00 57.85 58.16 1jwe n ARG 53 Cb 0.55 -1.65 -0.10 0.00 0.00 0.00 0.00 32.46 31.26 1jwe n ARG 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1jwe s VAL 54 N -2.45 0.79 0.40 1.55 -7.23 0.11 -4.72 120.40 108.85 1jwe s VAL 54 Ca -0.31 -1.96 0.07 0.00 -1.81 0.00 0.00 61.98 57.97 1jwe s VAL 54 Cb 0.09 -1.74 -0.07 0.00 0.56 0.00 0.00 36.38 35.21 1jwe s VAL 54 CO 0.59 -0.82 0.05 0.68 -0.31 0.00 0.00 175.10 175.29 1jwe s VAL 55 N -3.57 2.16 0.35 1.32 -7.23 -1.26 -4.02 120.40 108.15 1jwe s VAL 55 Ca 0.14 -1.92 0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1jwe s VAL 55 Cb 0.05 -2.96 0.33 0.00 0.56 0.00 0.00 36.38 34.37 1jwe s VAL 55 CO -0.03 -0.03 1.80 0.00 -0.31 0.00 0.00 175.10 176.52 1jwe h ALA 56 N 1.69 1.90 0.00 1.32 0.00 -1.97 -1.60 119.26 120.60 1jwe h ALA 56 Ca -0.43 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1jwe h ALA 56 Cb 1.25 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jwe h ALA 56 CO 0.76 -0.26 -0.00 0.22 0.00 0.00 0.00 179.25 179.97 1jwe h ASP 57 N 0.62 0.00 0.48 0.00 3.58 -1.98 -2.51 116.42 116.60 1jwe h ASP 57 Ca 0.56 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.87 1jwe h ASP 57 Cb 1.07 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.10 1jwe h ASP 57 CO -0.32 0.00 -0.61 0.44 -2.88 0.00 0.00 179.24 175.87 1jwe h ASP 58 N 0.00 0.14 -2.72 2.28 3.32 -1.68 -3.42 116.42 114.34 1jwe h ASP 58 Ca -0.00 -0.08 -0.55 0.00 0.02 0.00 0.00 57.03 56.42 1jwe h ASP 58 Cb 0.34 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jwe h ASP 58 CO 0.00 0.72 1.01 -0.36 -1.72 0.00 0.00 179.24 178.89 1jwe s PHE 59 N -3.69 2.30 0.15 4.55 0.40 -0.95 -4.72 117.98 116.03 1jwe s PHE 59 Ca -0.03 0.45 -0.06 0.00 -0.60 0.00 0.00 56.93 56.70 1jwe s PHE 59 Cb 0.12 -3.80 -0.02 0.00 0.51 0.00 0.00 43.02 39.84 1jwe s PHE 59 CO 0.78 -3.23 1.39 -0.92 0.70 0.00 0.00 175.22 173.95 1jwe h TYR 60 N 8.95 0.76 -2.93 0.36 3.20 -1.87 -3.45 116.97 121.99 1jwe h TYR 60 Ca -0.37 -0.33 -0.57 0.00 3.14 0.00 0.00 58.73 60.61 1jwe h TYR 60 Cb 1.16 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 39.27 1jwe h TYR 60 CO 0.84 1.11 0.95 0.99 -1.64 0.00 0.00 178.16 180.42 1jwe s THR 61 N -3.71 4.15 0.19 1.81 2.01 -1.26 -4.95 115.64 113.88 1jwe s THR 61 Ca -0.08 1.36 -0.19 0.00 0.31 0.00 0.00 61.69 63.10 1jwe s THR 61 Cb 0.10 -3.98 0.14 0.00 0.01 0.00 0.00 72.50 68.78 1jwe s THR 61 CO 0.86 -0.23 1.60 0.03 -0.69 0.00 0.00 174.62 176.19 1jwe h ARG 62 N 8.76 -0.13 -0.59 4.92 2.47 -1.99 0.34 114.38 128.16 1jwe h ARG 62 Ca -0.28 0.01 -0.00 0.00 -1.26 0.00 0.00 59.98 58.45 1jwe h ARG 62 Cb 1.11 0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.43 1jwe h ARG 62 CO 0.99 -0.09 0.37 -1.00 0.56 0.00 0.00 179.97 180.79 1jwe h PRO 63 N -0.14 0.79 -0.74 0.04 0.13 -1.91 -0.57 132.00 129.61 1jwe h PRO 63 Ca 0.24 -0.06 0.02 0.00 -0.87 0.00 0.00 66.00 65.33 1jwe h PRO 63 Cb 0.53 -0.17 -0.04 0.00 0.13 0.00 0.00 31.00 31.45 1jwe h PRO 63 CO -0.65 0.56 0.49 0.45 -0.23 0.00 0.00 178.00 178.61 1jwe h HIS 64 N 0.80 0.89 -0.38 1.56 3.86 -1.67 -0.88 115.15 119.33 1jwe h HIS 64 Ca 0.21 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.39 1jwe h HIS 64 Cb -0.04 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.12 1jwe h HIS 64 CO -0.02 0.53 0.03 0.00 0.86 0.00 0.00 177.93 179.33 1jwe h ARG 65 N 0.94 0.65 -0.16 2.45 3.08 -0.40 -0.55 114.38 120.39 1jwe h ARG 65 Ca 0.28 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 60.19 1jwe h ARG 65 Cb -0.01 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 29.90 1jwe h ARG 65 CO -0.07 0.73 -0.41 0.45 -1.07 0.00 0.00 179.97 179.59 1jwe h HIS 66 N 0.48 -1.18 -0.10 3.04 3.86 -0.21 0.16 115.15 121.19 1jwe h HIS 66 Ca 0.11 0.05 0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1jwe h HIS 66 Cb 0.42 0.54 -0.06 0.00 1.06 0.00 0.00 27.41 29.37 1jwe h HIS 66 CO 0.03 -0.47 -0.50 0.82 0.86 0.00 0.00 177.93 178.67 1jwe h ILE 67 N -0.47 0.05 -0.87 2.45 5.03 -1.11 -1.92 117.51 120.68 1jwe h ILE 67 Ca 0.08 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.87 1jwe h ILE 67 Cb 0.62 0.05 -0.05 0.00 -3.03 0.00 0.00 36.82 34.40 1jwe h ILE 67 CO -0.41 0.00 0.57 0.15 -0.68 0.00 0.00 178.15 177.78 1jwe h PHE 68 N -0.58 1.02 -0.47 1.37 3.04 -0.59 0.15 116.94 120.89 1jwe h PHE 68 Ca 0.04 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.93 1jwe h PHE 68 Cb 0.68 -0.34 -0.02 0.00 2.56 0.00 0.00 35.95 38.83 1jwe h PHE 68 CO -0.54 0.57 -0.07 1.15 -2.02 0.00 0.00 178.31 177.41 1jwe h THR 69 N 1.04 1.26 0.00 4.41 2.02 -0.47 0.07 112.91 121.23 1jwe h THR 69 Ca 0.36 -1.13 -0.20 0.00 0.77 0.00 0.00 66.41 66.20 1jwe h THR 69 Cb 0.10 0.97 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1jwe h THR 69 CO -0.12 0.39 -0.99 -0.08 0.37 0.00 0.00 175.52 175.09 1jwe h GLU 70 N 0.75 0.00 0.02 6.66 4.57 -0.44 -1.54 114.58 124.60 1jwe h GLU 70 Ca 0.13 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1jwe h GLU 70 Cb 0.56 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.15 1jwe h GLU 70 CO 0.03 0.90 -0.01 0.52 -1.18 0.00 0.00 179.01 179.28 1jwe h MET 71 N 0.00 -0.02 -0.21 1.92 2.86 -0.57 0.16 114.93 119.07 1jwe h MET 71 Ca -0.03 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 1jwe h MET 71 Cb 1.74 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 33.35 1jwe h MET 71 CO 0.12 0.04 -0.12 0.00 1.06 0.00 0.00 176.91 178.01 1jwe h ALA 72 N 0.91 0.05 -0.30 6.32 0.00 -0.98 -0.06 119.26 125.20 1jwe h ALA 72 Ca -0.00 0.08 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1jwe h ALA 72 Cb 0.07 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1jwe h ALA 72 CO 0.00 -0.54 0.04 -0.09 0.00 0.00 0.00 179.25 178.66 1jwe h ARG 73 N -0.10 0.14 -0.03 0.00 2.43 -1.10 -0.06 114.38 115.66 1jwe h ARG 73 Ca 0.12 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1jwe h ARG 73 Cb 0.28 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.80 1jwe h ARG 73 CO -0.28 0.09 0.02 -0.07 -1.51 0.00 0.00 179.97 178.23 1jwe h LEU 74 N 0.15 0.04 -0.99 3.80 3.38 -0.16 -0.94 115.31 120.59 1jwe h LEU 74 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jwe h LEU 74 Cb 0.16 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 40.86 1jwe h LEU 74 CO -0.20 0.12 0.60 -0.61 0.09 0.00 0.00 178.44 178.44 1jwe h GLN 75 N -0.04 1.29 -0.28 1.13 5.75 -0.88 0.08 115.11 122.17 1jwe h GLN 75 Ca 0.01 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 1jwe h GLN 75 Cb 0.09 -0.28 -0.01 0.00 1.07 0.00 0.00 27.48 28.35 1jwe h GLN 75 CO -0.00 0.88 0.10 1.49 -2.65 0.00 0.00 178.83 178.65 1jwe h GLU 76 N 1.31 0.38 -0.31 1.69 4.57 -0.66 -0.30 114.58 121.26 1jwe h GLU 76 Ca 0.35 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 1jwe h GLU 76 Cb -0.10 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 28.42 1jwe h GLU 76 CO -0.07 0.33 0.00 -1.13 -1.18 0.00 0.00 179.01 176.96 1jwe n SER 77 N -4.42 1.52 -1.55 1.04 3.41 -0.16 -4.92 113.62 108.56 1jwe n SER 77 Ca 0.01 -2.03 -0.14 0.00 -0.26 0.00 0.00 58.87 56.45 1jwe n SER 77 Cb 0.13 -0.21 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 1jwe n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jwe n GLY 78 N 0.86 0.01 3.44 5.00 0.00 -0.12 -4.99 105.19 109.39 1jwe n GLY 78 Ca 0.09 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 1jwe n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jwe s SER 79 N -2.42 3.69 0.86 1.61 0.01 -0.21 -4.99 113.70 112.24 1jwe s SER 79 Ca 0.00 -0.46 -0.10 0.00 1.31 0.00 0.00 55.95 56.70 1jwe s SER 79 Cb 0.00 -0.55 0.11 0.00 0.21 0.00 0.00 66.02 65.79 1jwe s SER 79 CO 0.00 0.25 1.13 -2.16 0.41 0.00 0.00 173.24 172.87 1jwe s PRO 80 N -1.43 1.47 -0.09 12.44 0.04 -1.26 -3.10 135.00 143.06 1jwe s PRO 80 Ca 0.14 1.40 0.14 0.00 0.04 0.00 0.00 61.00 62.72 1jwe s PRO 80 Cb -0.10 -1.79 0.41 0.00 0.04 0.00 0.00 34.50 33.06 1jwe s PRO 80 CO 0.05 -2.27 1.33 0.44 0.04 0.00 0.00 177.00 176.59 1jwe n ILE 81 N -3.97 1.66 -1.21 0.56 -5.35 -1.26 -4.48 119.36 105.31 1jwe n ILE 81 Ca 0.11 -1.46 -0.30 0.00 -0.27 0.00 0.00 62.75 60.83 1jwe n ILE 81 Cb 0.52 0.11 0.14 0.00 -1.74 0.00 0.00 39.64 38.68 1jwe n ILE 81 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 1jwe s ASP 82 N -1.49 3.37 0.14 7.28 1.47 -1.26 -4.24 116.67 121.94 1jwe s ASP 82 Ca 0.32 1.44 -0.25 0.00 1.18 0.00 0.00 52.55 55.24 1jwe s ASP 82 Cb 0.23 -2.12 -0.01 0.00 -0.34 0.00 0.00 42.92 40.69 1jwe s ASP 82 CO 0.12 -2.70 1.61 0.25 0.68 0.00 0.00 175.17 175.13 1jwe h LEU 83 N -1.59 -0.98 -0.26 2.11 5.85 -1.95 -0.38 115.31 118.11 1jwe h LEU 83 Ca -0.50 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1jwe h LEU 83 Cb 1.29 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.73 1jwe h LEU 83 CO 0.55 -0.35 0.07 0.40 -0.34 0.00 0.00 178.44 178.78 1jwe h ILE 84 N -0.36 1.21 -0.69 4.05 1.08 -1.97 0.17 117.51 120.99 1jwe h ILE 84 Ca 0.11 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 1jwe h ILE 84 Cb 0.53 1.15 -0.03 0.00 -3.07 0.00 0.00 36.82 35.40 1jwe h ILE 84 CO -0.37 0.22 0.34 0.74 -0.69 0.00 0.00 178.15 178.38 1jwe h THR 85 N 0.26 1.23 0.47 -0.27 2.02 -1.84 -0.82 112.91 113.97 1jwe h THR 85 Ca 0.08 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1jwe h THR 85 Cb 0.26 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1jwe h THR 85 CO -0.00 0.26 -0.32 0.25 0.37 0.00 0.00 175.52 176.09 1jwe h LEU 86 N 0.96 -0.80 -0.11 2.58 5.85 -0.56 0.29 115.31 123.51 1jwe h LEU 86 Ca 0.24 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.05 1jwe h LEU 86 Cb 0.11 0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1jwe h LEU 86 CO -0.03 -0.49 -0.13 0.00 -0.34 0.00 0.00 178.44 177.45 1jwe h ALA 87 N -0.31 -0.05 -0.50 1.25 0.00 -0.55 0.49 119.26 119.58 1jwe h ALA 87 Ca -0.05 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jwe h ALA 87 Cb 0.63 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1jwe h ALA 87 CO 0.04 -0.58 0.29 0.93 0.00 0.00 0.00 179.25 179.93 1jwe h GLU 88 N -0.16 0.68 -0.03 0.00 5.08 -1.06 -0.56 114.58 118.53 1jwe h GLU 88 Ca 0.08 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.14 1jwe h GLU 88 Cb 0.28 -0.14 0.02 0.00 0.50 0.00 0.00 28.75 29.40 1jwe h GLU 88 CO -0.21 0.48 -0.97 1.03 -1.00 0.00 0.00 179.01 178.34 1jwe h SER 89 N 0.69 0.85 -0.38 1.42 0.87 -0.21 0.12 113.55 116.91 1jwe h SER 89 Ca 0.18 -0.66 -0.01 0.00 -1.23 0.00 0.00 61.79 60.07 1jwe h SER 89 Cb -0.01 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.67 1jwe h SER 89 CO -0.03 1.46 0.21 -0.07 -0.53 0.00 0.00 176.83 177.86 1jwe h LEU 90 N 0.40 0.51 -0.58 2.23 3.38 -0.56 0.70 115.31 121.38 1jwe h LEU 90 Ca -0.11 -0.04 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 1jwe h LEU 90 Cb 1.62 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 1jwe h LEU 90 CO 0.19 0.43 0.07 -0.08 0.09 0.00 0.00 178.44 179.15 1jwe h GLU 91 N 0.58 0.98 -0.09 1.13 4.81 -0.83 0.12 114.58 121.28 1jwe h GLU 91 Ca 0.15 -0.28 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1jwe h GLU 91 Cb 0.05 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 1jwe h GLU 91 CO -0.02 0.94 0.10 0.00 -0.73 0.00 0.00 179.01 179.30 1jwe h ARG 92 N 0.88 0.00 -0.01 1.92 3.08 0.55 0.11 114.38 120.91 1jwe h ARG 92 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.22 1jwe h ARG 92 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1jwe h ARG 92 CO 0.02 0.00 -0.18 1.04 -1.07 0.00 0.00 179.97 179.77 1jwe n GLN 93 N -3.87 1.01 -1.93 0.04 1.13 0.09 -4.97 117.38 108.87 1jwe n GLN 93 Ca -0.01 -0.56 -0.14 0.00 -1.94 0.00 0.00 57.00 54.35 1jwe n GLN 93 Cb 0.20 -1.49 -0.03 0.00 0.11 0.00 0.00 30.24 29.03 1jwe n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jwe n GLY 94 N 1.29 0.44 0.04 1.08 0.00 0.37 -4.89 105.19 103.52 1jwe n GLY 94 Ca 0.14 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.85 1jwe n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jwe n GLN 95 N -2.44 1.26 -0.08 1.61 6.02 0.25 -4.76 117.38 119.24 1jwe n GLN 95 Ca -0.16 -1.07 0.01 0.00 -0.01 0.00 0.00 57.00 55.77 1jwe n GLN 95 Cb 0.56 -0.76 0.30 0.00 1.02 0.00 0.00 30.24 31.36 1jwe n GLN 95 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jwe h LEU 96 N 0.00 0.64 0.38 1.08 5.85 -1.82 -2.10 115.31 119.34 1jwe h LEU 96 Ca 0.00 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1jwe h LEU 96 Cb 0.84 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.71 1jwe h LEU 96 CO 0.00 0.55 -0.18 -0.78 -0.34 0.00 0.00 178.44 177.69 1jwe h ASP 97 N 0.72 -0.43 -0.58 1.25 1.82 -1.91 -2.20 116.42 115.10 1jwe h ASP 97 Ca 0.18 -0.05 0.17 0.00 -0.39 0.00 0.00 57.03 56.94 1jwe h ASP 97 Cb 0.08 0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.17 1jwe h ASP 97 CO -0.02 -0.22 0.45 0.28 -1.61 0.00 0.00 179.24 178.12 1jwe h SER 98 N -0.61 0.00 0.43 2.28 0.02 -1.71 -0.15 113.55 113.80 1jwe h SER 98 Ca -0.05 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1jwe h SER 98 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 1jwe h SER 98 CO 0.08 0.00 -0.16 1.33 -1.14 0.00 0.00 176.83 176.94 1jwe n VAL 99 N -4.18 0.00 0.00 2.27 0.24 -0.91 -4.85 118.33 110.90 1jwe n VAL 99 Ca 0.11 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.36 1jwe n VAL 99 Cb 0.69 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.02 1jwe n VAL 99 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jwe n GLY 100 N 1.33 1.56 3.75 7.63 0.00 -0.39 -4.71 105.19 114.37 1jwe n GLY 100 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1jwe n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jwe n GLY 101 N -0.02 -0.52 5.00 -0.02 0.00 -0.21 -1.08 105.19 108.34 1jwe n GLY 101 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1jwe n GLY 101 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1jwe n PHE 102 N -4.85 0.00 -0.29 1.61 -0.00 -1.14 -4.68 117.46 108.12 1jwe n PHE 102 Ca 0.02 0.00 0.09 0.00 -0.00 0.00 0.00 57.45 57.56 1jwe n PHE 102 Cb 0.55 0.00 0.25 0.00 -0.00 0.00 0.00 39.48 40.28 1jwe n PHE 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jwe h ALA 103 N 0.00 1.30 -0.09 3.13 0.00 -1.83 0.11 119.26 121.89 1jwe h ALA 103 Ca 0.00 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1jwe h ALA 103 Cb 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1jwe h ALA 103 CO 0.00 -0.21 -0.30 -0.92 0.00 0.00 0.00 179.25 177.82 1jwe h TYR 104 N 0.51 0.18 -0.48 0.00 3.20 -1.38 -0.69 116.97 118.31 1jwe h TYR 104 Ca 0.49 -0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.23 1jwe h TYR 104 Cb 0.81 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.02 1jwe h TYR 104 CO -0.12 0.45 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.71 1jwe h LEU 105 N 0.15 0.89 -1.46 2.82 3.38 -1.06 -1.13 115.31 118.90 1jwe h LEU 105 Ca 0.02 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1jwe h LEU 105 Cb 0.60 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jwe h LEU 105 CO 0.04 1.02 0.00 0.00 0.09 0.00 0.00 178.44 179.59 1jwe h ALA 106 N 0.90 1.00 0.01 1.53 0.00 -0.78 -0.59 119.26 121.33 1jwe h ALA 106 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1jwe h ALA 106 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.41 1jwe h ALA 106 CO 0.04 0.00 -0.57 1.49 0.00 0.00 0.00 179.25 180.21 1jwe h GLU 107 N 0.00 0.36 -0.08 0.00 4.57 -0.04 -3.17 114.58 116.22 1jwe h GLU 107 Ca 0.00 -0.41 0.04 0.00 -1.18 0.00 0.00 59.36 57.81 1jwe h GLU 107 Cb 0.24 0.12 -0.05 0.00 -0.16 0.00 0.00 28.75 28.90 1jwe h GLU 107 CO 0.00 1.09 -0.21 -0.07 -1.18 0.00 0.00 179.01 178.64 1jwe h LEU 108 N -0.19 -0.63 0.00 1.64 3.38 -0.49 0.25 115.31 119.27 1jwe h LEU 108 Ca -0.07 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jwe h LEU 108 Cb 1.30 0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.32 1jwe h LEU 108 CO 0.11 -0.26 0.00 -0.24 0.09 0.00 0.00 178.44 178.14 1jwe n SER 109 N -5.34 0.00 0.00 -0.43 2.88 -0.30 -2.50 113.62 107.93 1jwe n SER 109 Ca -0.04 -0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.09 1jwe n SER 109 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1jwe n SER 109 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1jwe n LYS 110 N -0.97 1.49 -0.31 -1.46 4.81 -0.54 -4.72 118.16 116.45 1jwe n LYS 110 Ca 0.09 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.60 1jwe n LYS 110 Cb 0.04 -0.90 0.22 0.00 0.02 0.00 0.00 35.03 34.41 1jwe n LYS 110 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 1jwe n ASN 111 N -1.28 2.84 -4.70 3.14 0.23 0.78 -4.92 115.26 111.35 1jwe n ASN 111 Ca 0.00 -2.13 -0.42 0.00 -0.53 0.00 0.00 54.58 51.50 1jwe n ASN 111 Cb 0.06 -0.38 -0.03 0.00 -2.08 0.00 0.00 39.78 37.35 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jwe s THR 112 N -1.53 4.09 0.00 5.53 2.01 -1.20 -4.79 115.64 119.75 1jwe s THR 112 Ca 0.32 1.46 -0.00 0.00 0.31 0.00 0.00 61.69 63.78 1jwe s THR 112 Cb 0.19 -3.93 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1jwe s THR 112 CO 0.19 0.04 1.50 -0.81 -0.69 0.00 0.00 174.62 174.85 1jwe n PRO 113 N 4.82 0.75 -3.40 4.92 -0.04 -1.26 -4.72 135.00 136.08 1jwe n PRO 113 Ca 0.11 -0.02 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 1jwe n PRO 113 Cb 0.46 -1.15 -0.01 0.00 -0.04 0.00 0.00 33.50 32.76 1jwe n PRO 113 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1jwe n SER 114 N 1.66 -3.38 -1.09 3.54 2.88 -1.26 -1.31 113.62 114.66 1jwe n SER 114 Ca 0.01 -0.40 -0.13 0.00 -1.33 0.00 0.00 58.87 57.02 1jwe n SER 114 Cb 0.37 -2.81 -0.06 0.00 -0.75 0.00 0.00 64.21 60.96 1jwe n SER 114 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jwe n ALA 115 N -3.48 -0.20 -0.26 -1.46 0.00 -1.26 -4.88 120.51 108.96 1jwe n ALA 115 Ca -0.00 0.21 0.01 0.00 0.00 0.00 0.00 53.44 53.66 1jwe n ALA 115 Cb 0.53 -1.70 0.08 0.00 0.00 0.00 0.00 19.45 18.36 1jwe n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwe h ALA 116 N 0.17 0.42 -1.44 0.00 0.00 -1.60 -1.76 119.26 115.05 1jwe h ALA 116 Ca -0.27 0.28 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 1jwe h ALA 116 Cb 1.11 0.63 -0.42 0.00 0.00 0.00 0.00 17.79 19.12 1jwe h ALA 116 CO 0.39 -0.45 -0.78 0.09 0.00 0.00 0.00 179.25 178.50 1jwe n ASN 117 N -5.50 4.41 -0.20 0.00 3.02 -1.26 -4.93 115.26 110.80 1jwe n ASN 117 Ca 0.10 -3.62 -0.03 0.00 -0.03 0.00 0.00 54.58 50.99 1jwe n ASN 117 Cb 0.39 -0.46 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 1jwe n ASN 117 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 1jwe h ILE 118 N 2.61 0.23 -0.77 2.41 6.09 -1.70 0.53 117.51 126.91 1jwe h ILE 118 Ca 0.27 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.80 1jwe h ILE 118 Cb 0.97 0.23 -0.05 0.00 0.47 0.00 0.00 36.82 38.44 1jwe h ILE 118 CO 0.81 0.00 0.48 -1.28 -3.07 0.00 0.00 178.15 175.09 1jwe h SER 119 N -0.11 0.78 -0.65 2.19 0.87 -1.92 -0.82 113.55 113.89 1jwe h SER 119 Ca 0.26 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.76 1jwe h SER 119 Cb 0.53 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1jwe h SER 119 CO -0.67 0.52 0.15 0.00 -0.53 0.00 0.00 176.83 176.30 1jwe h ALA 120 N 1.35 1.00 0.22 6.23 0.00 -1.37 0.30 119.26 126.99 1jwe h ALA 120 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1jwe h ALA 120 Cb 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jwe h ALA 120 CO -0.14 0.65 -0.11 1.88 0.00 0.00 0.00 179.25 181.54 1jwe h TYR 121 N 1.01 -0.28 -0.55 0.00 0.05 -0.48 -0.18 116.97 116.55 1jwe h TYR 121 Ca 0.21 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.90 1jwe h TYR 121 Cb 0.38 0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 1jwe h TYR 121 CO 0.03 -0.03 0.02 0.00 -1.05 0.00 0.00 178.16 177.13 1jwe h ALA 122 N 0.24 0.99 -0.61 3.88 0.00 -1.02 -0.82 119.26 121.92 1jwe h ALA 122 Ca -0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jwe h ALA 122 Cb 0.37 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1jwe h ALA 122 CO 0.05 0.62 0.38 -0.44 0.00 0.00 0.00 179.25 179.86 1jwe h ASP 123 N 0.86 0.72 -0.27 0.00 3.32 -0.34 -1.02 116.42 119.69 1jwe h ASP 123 Ca 0.16 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1jwe h ASP 123 Cb 0.48 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1jwe h ASP 123 CO 0.02 0.56 0.10 0.40 -1.72 0.00 0.00 179.24 178.60 1jwe h ILE 124 N 0.82 1.18 -0.17 0.35 2.04 -0.44 0.13 117.51 121.42 1jwe h ILE 124 Ca 0.22 -0.55 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1jwe h ILE 124 Cb -0.04 1.04 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1jwe h ILE 124 CO -0.04 0.19 -0.03 0.58 0.00 0.00 0.00 178.15 178.85 1jwe h VAL 125 N 0.28 0.85 -0.25 1.67 2.07 -0.89 0.67 116.25 120.65 1jwe h VAL 125 Ca 0.09 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1jwe h VAL 125 Cb 0.19 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1jwe h VAL 125 CO -0.01 0.00 -0.12 -0.09 0.02 0.00 0.00 177.57 177.38 1jwe h ARG 126 N 0.02 -0.09 -0.65 1.57 1.12 -1.03 -1.17 114.38 114.16 1jwe h ARG 126 Ca 0.08 0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 58.89 1jwe h ARG 126 Cb 0.11 0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.07 1jwe h ARG 126 CO -0.16 -0.06 0.15 1.49 -3.11 0.00 0.00 179.97 178.28 1jwe h GLU 127 N -0.09 1.03 -0.23 0.20 4.57 0.07 1.00 114.58 121.13 1jwe h GLU 127 Ca 0.13 -0.24 -0.18 0.00 -1.18 0.00 0.00 59.36 57.90 1jwe h GLU 127 Cb 0.29 -0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1jwe h GLU 127 CO -0.31 0.91 -0.58 0.00 -1.18 0.00 0.00 179.01 177.86 1jwe h ARG 128 N 0.98 0.73 -0.50 1.92 2.47 -0.69 -0.64 114.38 118.65 1jwe h ARG 128 Ca 0.21 -0.48 -0.02 0.00 -1.26 0.00 0.00 59.98 58.43 1jwe h ARG 128 Cb 0.36 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.71 1jwe h ARG 128 CO 0.00 1.10 0.23 0.00 0.56 0.00 0.00 179.97 181.87 1jwe h ALA 129 N 0.80 0.64 -0.47 0.04 0.00 -0.75 -0.83 119.26 118.68 1jwe h ALA 129 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1jwe h ALA 129 Cb 1.16 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1jwe h ALA 129 CO 0.12 0.21 -0.06 0.28 0.00 0.00 0.00 179.25 179.80 1jwe h VAL 130 N 0.66 1.25 -0.25 0.00 2.07 -0.79 -1.46 116.25 117.75 1jwe h VAL 130 Ca 0.17 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.53 1jwe h VAL 130 Cb 0.13 0.96 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1jwe h VAL 130 CO -0.02 0.39 -0.04 0.58 0.02 0.00 0.00 177.57 178.50 1jwe h VAL 131 N 0.76 1.17 -0.42 2.57 2.07 -0.83 0.43 116.25 122.01 1jwe h VAL 131 Ca 0.14 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.87 1jwe h VAL 131 Cb 0.55 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 1jwe h VAL 131 CO 0.03 0.24 -0.03 -0.09 0.02 0.00 0.00 177.57 177.74 1jwe h ARG 132 N 0.36 0.69 -0.25 1.57 9.65 -0.48 -2.32 114.38 123.60 1jwe h ARG 132 Ca 0.08 -0.18 -0.11 0.00 -1.10 0.00 0.00 59.98 58.67 1jwe h ARG 132 Cb 0.31 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.80 1jwe h ARG 132 CO 0.01 0.73 -0.30 1.05 2.80 0.00 0.00 179.97 184.26 1jwe h GLU 133 N 0.64 0.50 0.00 0.20 -0.00 -0.25 -2.48 114.58 113.20 1jwe h GLU 133 Ca 0.13 -0.21 0.00 0.00 -0.00 0.00 0.00 59.36 59.28 1jwe h GLU 133 Cb 0.45 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.18 1jwe h GLU 133 CO 0.02 0.75 0.00 -1.33 -0.00 0.00 0.00 179.01 178.45 1jwe n MET 134 N -4.09 0.62 0.00 1.06 2.81 0.04 -4.90 117.12 112.66 1jwe n MET 134 Ca -0.01 0.02 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1jwe n MET 134 Cb 0.44 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.45 1jwe n MET 134 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1jwe n ILE 135 N -1.06 0.00 1.08 2.02 -0.00 -0.94 -5.06 119.36 115.41 1jwe n ILE 135 Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 62.75 63.03 1jwe n ILE 135 Cb 0.10 0.00 0.17 0.00 -0.00 0.00 0.00 39.64 39.90 1jwe n ILE 135 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35