#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 0.49 -0.00 0.03 2.47 -1.26 -5.17 119.74 116.30 1jwe s LYS 24 Ca 0.00 -0.45 -0.04 0.00 -1.56 0.00 0.00 55.97 53.93 1jwe s LYS 24 Cb 0.00 0.20 -0.00 0.00 -1.46 0.00 0.00 37.83 36.57 1jwe s LYS 24 CO 0.00 -0.12 0.07 0.08 0.16 0.00 0.00 175.35 175.55 1jwe s VAL 25 N -1.52 0.07 -0.10 4.02 1.01 -1.26 -5.12 120.40 117.51 1jwe s VAL 25 Ca -0.14 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1jwe s VAL 25 Cb -0.07 -0.30 -0.05 0.00 0.00 0.00 0.00 36.38 35.97 1jwe s VAL 25 CO 0.01 -0.31 1.63 -2.16 0.00 0.00 0.00 175.10 174.27 1jwe s PRO 26 N -1.00 4.09 0.36 2.72 0.04 -1.26 -4.89 135.00 135.06 1jwe s PRO 26 Ca -0.11 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.24 1jwe s PRO 26 Cb -0.06 -3.99 1.07 0.00 0.04 0.00 0.00 34.50 31.56 1jwe s PRO 26 CO 0.00 -0.95 1.80 -1.00 0.04 0.00 0.00 177.00 176.90 1jwe h PRO 27 N 9.77 0.00 0.00 0.56 0.13 -1.96 -3.50 132.00 137.00 1jwe h PRO 27 Ca -0.37 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.83 1jwe h PRO 27 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1jwe h PRO 27 CO 0.96 0.00 -0.09 0.72 -0.23 0.00 0.00 178.00 179.36 1jwe n HIS 28 N -2.55 -2.29 -2.23 1.56 8.25 -1.26 -4.80 115.22 111.90 1jwe n HIS 28 Ca 0.02 0.33 0.01 0.00 -0.26 0.00 0.00 57.72 57.82 1jwe n HIS 28 Cb 0.28 -0.37 0.00 0.00 1.12 0.00 0.00 29.99 31.03 1jwe n HIS 28 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jwe n SER 29 N -3.25 0.38 -0.32 0.41 3.41 -1.26 -4.96 113.62 108.02 1jwe n SER 29 Ca 0.00 -1.93 -0.04 0.00 -0.26 0.00 0.00 58.87 56.64 1jwe n SER 29 Cb 0.12 -0.19 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 1jwe n SER 29 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1jwe n ILE 30 N 0.23 -0.47 -0.19 -1.33 -0.00 -1.26 -0.40 119.36 115.94 1jwe n ILE 30 Ca 0.01 1.91 -0.10 0.00 -0.00 0.00 0.00 62.75 64.57 1jwe n ILE 30 Cb 0.89 -2.47 0.02 0.00 -0.00 0.00 0.00 39.64 38.08 1jwe n ILE 30 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 1jwe h GLU 31 N 0.00 1.03 -0.60 0.38 5.08 -1.98 0.20 114.58 118.69 1jwe h GLU 31 Ca 0.23 -0.36 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1jwe h GLU 31 Cb 0.43 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1jwe h GLU 31 CO -0.79 1.05 0.16 0.00 -1.00 0.00 0.00 179.01 178.43 1jwe h ALA 32 N 0.95 0.79 -0.32 3.43 0.00 -1.18 -0.62 119.26 122.32 1jwe h ALA 32 Ca 0.15 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jwe h ALA 32 Cb 0.62 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 1jwe h ALA 32 CO 0.04 0.49 0.14 0.93 0.00 0.00 0.00 179.25 180.85 1jwe h GLU 33 N 0.87 0.29 -0.24 0.00 5.08 -0.44 0.42 114.58 120.56 1jwe h GLU 33 Ca 0.19 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.57 1jwe h GLU 33 Cb 0.33 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1jwe h GLU 33 CO -0.00 0.19 0.05 1.96 -1.00 0.00 0.00 179.01 180.21 1jwe h GLN 34 N 0.30 0.14 -0.82 2.33 4.20 -0.38 -1.66 115.11 119.22 1jwe h GLN 34 Ca 0.14 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.80 1jwe h GLN 34 Cb 0.07 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 1jwe h GLN 34 CO -0.11 0.09 0.37 0.77 -0.67 0.00 0.00 178.83 179.28 1jwe h SER 35 N 0.14 1.10 0.38 1.46 0.02 -0.63 0.55 113.55 116.56 1jwe h SER 35 Ca 0.11 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1jwe h SER 35 Cb 0.11 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1jwe h SER 35 CO -0.15 0.94 -0.30 0.58 -1.14 0.00 0.00 176.83 176.77 1jwe h VAL 36 N 1.18 0.39 -0.23 2.27 2.07 -0.58 0.63 116.25 121.96 1jwe h VAL 36 Ca 0.28 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.79 1jwe h VAL 36 Cb 0.16 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1jwe h VAL 36 CO -0.03 0.00 0.13 -0.07 0.02 0.00 0.00 177.57 177.62 1jwe h LEU 37 N -0.67 0.29 -1.36 2.57 3.38 -0.97 -0.17 115.31 118.37 1jwe h LEU 37 Ca -0.03 -0.09 0.09 0.00 0.09 0.00 0.00 57.88 57.94 1jwe h LEU 37 Cb 0.58 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 1jwe h LEU 37 CO -0.01 0.29 0.51 1.23 0.09 0.00 0.00 178.44 180.55 1jwe h GLY 38 N 0.26 1.01 2.00 0.83 0.00 -0.88 -1.27 103.07 105.02 1jwe h GLY 38 Ca 0.08 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.05 1jwe h GLY 38 CO -0.01 0.18 -0.29 -1.33 0.00 0.00 0.00 176.54 175.09 1jwe h GLY 39 N 0.73 0.00 0.64 4.60 0.00 0.86 -0.71 103.07 109.19 1jwe h GLY 39 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.59 1jwe h GLY 39 CO -0.13 0.00 -0.34 1.41 0.00 0.00 0.00 176.54 177.48 1jwe h LEU 40 N 0.00 0.37 -1.53 3.11 3.38 -0.07 -0.02 115.31 120.56 1jwe h LEU 40 Ca -0.00 -0.69 0.06 0.00 0.09 0.00 0.00 57.88 57.33 1jwe h LEU 40 Cb 0.57 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 1jwe h LEU 40 CO 0.04 1.01 0.39 0.24 0.09 0.00 0.00 178.44 180.21 1jwe h MET 41 N -0.23 0.57 0.72 1.13 2.86 -1.22 -2.86 114.93 115.90 1jwe h MET 41 Ca -0.03 -0.03 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 1jwe h MET 41 Cb 1.02 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 32.56 1jwe h MET 41 CO 0.07 0.37 -0.35 -0.07 1.06 0.00 0.00 176.91 178.00 1jwe h LEU 42 N 0.58 -0.82 -7.45 1.22 3.38 -1.03 -3.42 115.31 107.78 1jwe h LEU 42 Ca 0.25 0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.67 1jwe h LEU 42 Cb 0.25 0.21 -0.39 0.00 0.09 0.00 0.00 40.66 40.82 1jwe h LEU 42 CO -0.07 -0.50 -0.77 -0.62 0.09 0.00 0.00 178.44 176.57 1jwe s ASP 43 N -4.07 3.70 0.41 -0.43 2.15 -0.03 -5.01 116.67 113.39 1jwe s ASP 43 Ca -0.14 -1.24 0.15 0.00 0.43 0.00 0.00 52.55 51.75 1jwe s ASP 43 Cb 0.01 -0.99 1.01 0.00 -0.30 0.00 0.00 42.92 42.65 1jwe s ASP 43 CO 0.43 -0.30 1.90 0.78 -0.17 0.00 0.00 175.17 177.81 1jwe h ASN 44 N 8.03 0.45 0.63 -0.34 2.35 -1.84 -1.32 115.58 123.54 1jwe h ASN 44 Ca -0.16 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.61 1jwe h ASN 44 Cb 1.07 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 1jwe h ASN 44 CO 0.41 0.22 -0.08 -0.33 -1.65 0.00 0.00 177.43 176.01 1jwe h GLU 45 N 0.47 0.00 0.00 0.81 5.08 -1.95 -1.60 114.58 117.39 1jwe h GLU 45 Ca 0.40 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.76 1jwe h GLU 45 Cb 0.86 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1jwe h GLU 45 CO -0.14 0.08 0.00 0.54 -1.00 0.00 0.00 179.01 178.49 1jwe n ARG 46 N -3.31 0.10 -0.11 2.33 5.12 -0.50 -3.40 116.66 116.88 1jwe n ARG 46 Ca -0.01 0.03 -0.06 0.00 -1.93 0.00 0.00 57.85 55.88 1jwe n ARG 46 Cb 0.27 -1.50 -0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 -0.70 -0.24 -1.55 2.91 -1.40 0.13 115.95 115.10 1jwe h TRP 47 Ca 0.00 0.05 -0.07 0.00 1.13 0.00 0.00 58.89 60.00 1jwe h TRP 47 Cb 0.42 0.37 -0.01 0.00 -0.51 0.00 0.00 29.16 29.42 1jwe h TRP 47 CO 0.00 -0.34 -0.17 -0.44 -1.03 0.00 0.00 178.44 176.47 1jwe h ASP 48 N -0.20 0.40 -0.05 2.65 3.32 -1.76 0.24 116.42 121.02 1jwe h ASP 48 Ca 0.18 -0.11 -0.19 0.00 0.02 0.00 0.00 57.03 56.94 1jwe h ASP 48 Cb 0.49 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.93 1jwe h ASP 48 CO -0.51 0.59 -0.64 -0.78 -1.72 0.00 0.00 179.24 176.18 1jwe h ASP 49 N 0.38 0.76 0.03 6.45 3.58 -1.53 -0.31 116.42 125.79 1jwe h ASP 49 Ca 0.07 -0.45 -0.08 0.00 0.42 0.00 0.00 57.03 56.99 1jwe h ASP 49 Cb 0.52 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.35 1jwe h ASP 49 CO 0.03 1.21 -0.33 0.58 -2.88 0.00 0.00 179.24 177.86 1jwe h VAL 50 N 0.49 1.60 0.00 2.25 2.07 -0.87 -3.23 116.25 118.57 1jwe h VAL 50 Ca -0.01 -2.20 0.00 0.00 0.82 0.00 0.00 66.70 65.31 1jwe h VAL 50 Cb 1.23 3.03 0.00 0.00 -1.52 0.00 0.00 31.29 34.03 1jwe h VAL 50 CO 0.13 0.60 0.00 0.00 0.02 0.00 0.00 177.57 178.32 1jwe h ALA 51 N 0.15 1.00 0.00 1.67 0.00 -0.49 0.43 119.26 122.02 1jwe h ALA 51 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jwe h ALA 51 Cb 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1jwe h ALA 51 CO 0.06 0.00 0.00 0.93 0.00 0.00 0.00 179.25 180.24 1jwe h GLU 52 N 0.00 0.00 0.00 0.00 4.39 -1.08 -3.38 114.58 114.51 1jwe h GLU 52 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jwe h GLU 52 Cb 0.04 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1jwe h GLU 52 CO 0.00 0.00 -0.35 0.54 -1.16 0.00 0.00 179.01 178.04 1jwe n ARG 53 N -2.37 3.19 -3.86 2.33 1.74 0.48 -5.07 116.66 113.10 1jwe n ARG 53 Ca 0.05 0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.04 1jwe n ARG 53 Cb 0.43 -0.60 -0.04 0.00 -1.02 0.00 0.00 32.46 31.24 1jwe n ARG 53 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jwe s VAL 54 N -0.99 0.01 0.31 1.55 -7.23 0.12 -4.57 120.40 109.60 1jwe s VAL 54 Ca 0.00 -1.05 0.03 0.00 -1.81 0.00 0.00 61.98 59.15 1jwe s VAL 54 Cb 0.00 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 1jwe s VAL 54 CO 0.00 -0.04 0.16 0.68 -0.31 0.00 0.00 175.10 175.59 1jwe s VAL 55 N -3.94 0.32 0.61 1.32 -7.23 -1.26 -3.82 120.40 106.41 1jwe s VAL 55 Ca 0.14 -2.00 0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1jwe s VAL 55 Cb -0.02 -2.51 0.36 0.00 0.56 0.00 0.00 36.38 34.77 1jwe s VAL 55 CO 0.04 0.00 2.10 0.00 -0.31 0.00 0.00 175.10 176.93 1jwe h ALA 56 N 2.20 1.62 0.00 1.32 0.00 -1.92 -0.57 119.26 121.92 1jwe h ALA 56 Ca -0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jwe h ALA 56 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1jwe h ALA 56 CO 0.52 -0.28 -0.52 -0.25 0.00 0.00 0.00 179.25 178.72 1jwe n ASP 57 N -3.54 0.52 -0.11 0.00 9.92 -1.26 -3.49 116.55 118.60 1jwe n ASP 57 Ca 0.01 -0.12 -0.10 0.00 -0.53 0.00 0.00 54.79 54.04 1jwe n ASP 57 Cb 0.31 0.21 0.03 0.00 -0.64 0.00 0.00 41.12 41.03 1jwe n ASP 57 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1jwe h ASP 58 N 0.00 0.90 -4.33 -2.24 3.32 -1.49 -3.42 116.42 109.16 1jwe h ASP 58 Ca 0.00 -0.37 -0.51 0.00 0.02 0.00 0.00 57.03 56.17 1jwe h ASP 58 Cb 0.57 -0.25 0.10 0.00 0.22 0.00 0.00 39.33 39.97 1jwe h ASP 58 CO 0.00 1.13 0.36 -0.36 -1.72 0.00 0.00 179.24 178.65 1jwe s PHE 59 N -4.52 3.01 0.00 4.55 0.40 -1.23 -4.52 117.98 115.67 1jwe s PHE 59 Ca -0.10 1.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.68 1jwe s PHE 59 Cb 0.12 -2.92 0.00 0.00 0.51 0.00 0.00 43.02 40.73 1jwe s PHE 59 CO 0.86 -1.34 0.00 0.98 0.70 0.00 0.00 175.22 176.42 1jwe n TYR 60 N -3.16 0.00 -2.30 0.36 9.36 -1.26 -4.95 117.16 115.20 1jwe n TYR 60 Ca 0.08 0.00 -0.43 0.00 3.32 0.00 0.00 57.90 60.87 1jwe n TYR 60 Cb 0.53 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 39.22 1jwe n TYR 60 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1jwe s THR 61 N -1.00 4.05 0.20 2.97 2.01 -1.26 -4.84 115.64 117.77 1jwe s THR 61 Ca 0.00 1.25 -0.17 0.00 0.31 0.00 0.00 61.69 63.08 1jwe s THR 61 Cb 0.00 -3.88 0.18 0.00 0.01 0.00 0.00 72.50 68.81 1jwe s THR 61 CO 0.00 -0.20 1.61 0.03 -0.69 0.00 0.00 174.62 175.37 1jwe h ARG 62 N 8.96 -0.08 0.57 4.92 3.08 -1.98 0.98 114.38 130.82 1jwe h ARG 62 Ca -0.30 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 1jwe h ARG 62 Cb 1.12 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.20 1jwe h ARG 62 CO 0.98 -0.06 -0.27 -1.00 -1.07 0.00 0.00 179.97 178.55 1jwe h PRO 63 N -0.09 -0.73 -0.90 0.04 0.13 -1.91 -2.69 132.00 125.85 1jwe h PRO 63 Ca 0.27 0.05 0.15 0.00 -0.87 0.00 0.00 66.00 65.60 1jwe h PRO 63 Cb 0.51 0.17 -0.10 0.00 0.13 0.00 0.00 31.00 31.71 1jwe h PRO 63 CO -0.65 -0.47 0.50 0.45 -0.23 0.00 0.00 178.00 177.60 1jwe h HIS 64 N -0.80 0.88 -0.53 1.56 3.86 -1.57 0.33 115.15 118.89 1jwe h HIS 64 Ca -0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.15 1jwe h HIS 64 Cb 0.60 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1jwe h HIS 64 CO -0.03 0.22 0.25 0.00 0.86 0.00 0.00 177.93 179.24 1jwe h ARG 65 N 0.70 0.74 0.24 2.45 3.08 -0.84 -3.04 114.38 117.70 1jwe h ARG 65 Ca 0.49 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.46 1jwe h ARG 65 Cb 0.69 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1jwe h ARG 65 CO -0.36 0.57 -0.31 1.12 -1.07 0.00 0.00 179.97 179.93 1jwe h HIS 66 N 0.74 -0.82 0.06 3.04 2.07 -0.58 -0.79 115.15 118.87 1jwe h HIS 66 Ca 0.18 0.01 0.03 0.00 -2.85 0.00 0.00 60.37 57.74 1jwe h HIS 66 Cb 0.08 0.33 -0.05 0.00 2.57 0.00 0.00 27.41 30.34 1jwe h HIS 66 CO 0.01 -0.43 -0.40 0.82 -3.07 0.00 0.00 177.93 174.86 1jwe h ILE 67 N -0.60 0.19 -1.01 6.12 5.03 -1.46 0.76 117.51 126.53 1jwe h ILE 67 Ca 0.00 0.00 0.11 0.00 -0.12 0.00 0.00 64.86 64.85 1jwe h ILE 67 Cb 0.58 0.19 -0.08 0.00 -3.03 0.00 0.00 36.82 34.47 1jwe h ILE 67 CO -0.10 0.00 0.64 0.15 -0.68 0.00 0.00 178.15 178.16 1jwe h PHE 68 N -0.59 1.17 -0.01 1.37 3.04 -1.49 0.11 116.94 120.54 1jwe h PHE 68 Ca 0.04 0.03 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1jwe h PHE 68 Cb 0.65 -0.37 -0.00 0.00 2.56 0.00 0.00 35.95 38.78 1jwe h PHE 68 CO -0.38 0.50 0.00 1.15 -2.02 0.00 0.00 178.31 177.56 1jwe h THR 69 N 1.05 1.24 0.00 4.41 2.02 -0.07 -1.06 112.91 120.50 1jwe h THR 69 Ca 0.48 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 1jwe h THR 69 Cb 0.41 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1jwe h THR 69 CO -0.24 0.19 -0.52 -0.08 0.37 0.00 0.00 175.52 175.24 1jwe h GLU 70 N -0.28 0.00 -0.03 6.66 4.57 -0.29 0.58 114.58 125.79 1jwe h GLU 70 Ca 0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jwe h GLU 70 Cb 0.30 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1jwe h GLU 70 CO 0.00 0.52 0.01 0.52 -1.18 0.00 0.00 179.01 178.88 1jwe h MET 71 N 0.00 0.04 -0.53 1.92 2.86 -0.83 0.37 114.93 118.75 1jwe h MET 71 Ca -0.01 -0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.69 1jwe h MET 71 Cb 1.22 -0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.82 1jwe h MET 71 CO 0.07 0.18 0.24 0.00 1.06 0.00 0.00 176.91 178.45 1jwe h ALA 72 N 0.87 0.68 -0.06 6.32 0.00 -0.94 0.62 119.26 126.74 1jwe h ALA 72 Ca 0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1jwe h ALA 72 Cb 0.15 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jwe h ALA 72 CO -0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 179.25 179.05 1jwe h ARG 73 N 0.46 -0.09 0.17 0.00 2.47 -0.69 0.16 114.38 116.86 1jwe h ARG 73 Ca 0.25 0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.96 1jwe h ARG 73 Cb 0.21 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.55 1jwe h ARG 73 CO -0.20 -0.06 -0.08 -0.07 0.56 0.00 0.00 179.97 180.12 1jwe h LEU 74 N -0.09 -0.19 -0.44 3.04 3.38 -0.51 0.25 115.31 120.76 1jwe h LEU 74 Ca 0.05 -0.11 0.05 0.00 0.09 0.00 0.00 57.88 57.96 1jwe h LEU 74 Cb 0.16 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1jwe h LEU 74 CO -0.12 -0.00 0.16 -0.61 0.09 0.00 0.00 178.44 177.96 1jwe h GLN 75 N -0.37 0.32 -0.26 1.13 4.15 -0.79 0.16 115.11 119.46 1jwe h GLN 75 Ca -0.02 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 1jwe h GLN 75 Cb 0.29 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 1jwe h GLN 75 CO 0.04 0.21 0.06 1.49 -1.93 0.00 0.00 178.83 178.70 1jwe h GLU 76 N 0.33 0.37 -0.00 1.69 4.81 -0.44 0.15 114.58 121.49 1jwe h GLU 76 Ca 0.20 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1jwe h GLU 76 Cb 0.19 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1jwe h GLU 76 CO -0.20 0.35 -0.03 -1.13 -0.73 0.00 0.00 179.01 177.27 1jwe n SER 77 N -4.38 0.45 0.00 1.04 3.41 0.06 -4.90 113.62 109.29 1jwe n SER 77 Ca 0.01 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.71 1jwe n SER 77 Cb 0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 1.14 0.82 3.55 5.00 0.00 0.04 -5.06 105.19 110.68 1jwe n GLY 78 Ca 0.19 -0.29 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.26 4.18 0.71 1.61 0.01 0.42 -4.96 113.70 113.41 1jwe s SER 79 Ca 0.00 -0.50 -0.15 0.00 1.31 0.00 0.00 55.95 56.62 1jwe s SER 79 Cb 0.00 -0.71 0.03 0.00 0.21 0.00 0.00 66.02 65.55 1jwe s SER 79 CO 0.00 0.16 1.18 -2.16 0.41 0.00 0.00 173.24 172.82 1jwe s PRO 80 N -2.35 2.32 -0.26 12.44 0.04 -1.26 -3.00 135.00 142.93 1jwe s PRO 80 Ca 0.21 1.65 0.05 0.00 0.04 0.00 0.00 61.00 62.95 1jwe s PRO 80 Cb -0.10 -1.87 0.50 0.00 0.04 0.00 0.00 34.50 33.07 1jwe s PRO 80 CO 0.13 -1.67 1.54 0.44 0.04 0.00 0.00 177.00 177.48 1jwe n ILE 81 N -2.65 2.31 -0.88 0.56 -5.35 -1.26 -4.68 119.36 107.41 1jwe n ILE 81 Ca 0.12 -1.20 -0.31 0.00 -0.27 0.00 0.00 62.75 61.10 1jwe n ILE 81 Cb 0.51 -0.54 0.14 0.00 -1.74 0.00 0.00 39.64 38.01 1jwe n ILE 81 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1jwe s ASP 82 N -0.56 3.40 0.10 7.28 -1.08 -1.26 -4.43 116.67 120.11 1jwe s ASP 82 Ca 0.39 2.05 -0.30 0.00 -0.52 0.00 0.00 52.55 54.17 1jwe s ASP 82 Cb 0.32 -2.54 -0.11 0.00 -1.46 0.00 0.00 42.92 39.12 1jwe s ASP 82 CO 0.09 -2.78 1.62 0.25 0.52 0.00 0.00 175.17 174.87 1jwe h LEU 83 N -1.64 -0.94 -0.61 -1.34 7.12 -1.93 -0.95 115.31 115.02 1jwe h LEU 83 Ca -0.44 0.09 -0.10 0.00 0.13 0.00 0.00 57.88 57.56 1jwe h LEU 83 Cb 1.26 0.33 -0.02 0.00 -0.53 0.00 0.00 40.66 41.70 1jwe h LEU 83 CO 0.45 -0.46 -0.03 0.40 -0.13 0.00 0.00 178.44 178.68 1jwe h ILE 84 N -0.65 1.27 0.26 4.05 1.08 -1.98 -0.45 117.51 121.08 1jwe h ILE 84 Ca -0.00 -1.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.28 1jwe h ILE 84 Cb 0.62 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 1jwe h ILE 84 CO -0.11 0.43 -0.28 0.74 -0.69 0.00 0.00 178.15 178.24 1jwe h THR 85 N 0.97 0.40 -0.06 -0.27 2.02 -1.85 -1.78 112.91 112.35 1jwe h THR 85 Ca 0.17 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.38 1jwe h THR 85 Cb 0.59 0.40 -0.04 0.00 -1.74 0.00 0.00 68.15 67.37 1jwe h THR 85 CO 0.04 0.00 -0.15 0.25 0.37 0.00 0.00 175.52 176.03 1jwe h LEU 86 N -0.58 -0.45 0.17 2.58 5.85 -0.83 0.13 115.31 122.17 1jwe h LEU 86 Ca -0.01 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1jwe h LEU 86 Cb 0.54 0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1jwe h LEU 86 CO -0.07 -0.20 -0.35 0.00 -0.34 0.00 0.00 178.44 177.48 1jwe h ALA 87 N 0.77 -0.63 0.00 1.25 0.00 -0.97 0.13 119.26 119.80 1jwe h ALA 87 Ca 0.07 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1jwe h ALA 87 Cb 0.32 0.56 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1jwe h ALA 87 CO -0.19 -0.91 -0.16 0.93 0.00 0.00 0.00 179.25 178.92 1jwe h GLU 88 N -0.61 0.00 -0.19 0.00 3.07 -1.18 -1.64 114.58 114.03 1jwe h GLU 88 Ca 0.02 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1jwe h GLU 88 Cb 0.62 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1jwe h GLU 88 CO -0.17 0.16 -0.21 1.03 -1.40 0.00 0.00 179.01 178.41 1jwe h SER 89 N 0.00 0.51 -0.49 1.42 0.87 0.11 -3.18 113.55 112.79 1jwe h SER 89 Ca -0.00 -0.49 -0.09 0.00 -1.23 0.00 0.00 61.79 59.98 1jwe h SER 89 Cb 0.42 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 1jwe h SER 89 CO 0.02 0.90 -0.02 -0.07 -0.53 0.00 0.00 176.83 177.13 1jwe h LEU 90 N 0.13 0.90 -1.16 2.23 3.38 0.08 -1.70 115.31 119.17 1jwe h LEU 90 Ca 0.03 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1jwe h LEU 90 Cb 0.77 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1jwe h LEU 90 CO 0.05 0.97 -0.24 1.05 0.09 0.00 0.00 178.44 180.37 1jwe h GLU 91 N 0.85 0.29 -0.18 1.13 -0.00 -1.45 0.63 114.58 115.85 1jwe h GLU 91 Ca 0.15 -0.10 -0.07 0.00 -0.00 0.00 0.00 59.36 59.35 1jwe h GLU 91 Cb 0.53 -0.03 -0.01 0.00 -0.00 0.00 0.00 28.75 29.24 1jwe h GLU 91 CO 0.03 0.52 -0.18 0.00 -0.00 0.00 0.00 179.01 179.37 1jwe h ARG 92 N 0.27 0.30 0.00 1.06 3.08 -1.38 -0.35 114.38 117.36 1jwe h ARG 92 Ca 0.04 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1jwe h ARG 92 Cb 0.57 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1jwe h ARG 92 CO 0.04 0.48 0.00 1.04 -1.07 0.00 0.00 179.97 180.46 1jwe n GLN 93 N -4.21 0.05 -1.44 0.04 1.13 -0.70 -4.90 117.38 107.35 1jwe n GLN 93 Ca -0.01 0.19 -0.15 0.00 -1.94 0.00 0.00 57.00 55.09 1jwe n GLN 93 Cb 0.32 -1.58 -0.07 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 0.60 1.53 0.04 1.08 0.00 -0.14 -4.89 105.19 103.41 1jwe n GLY 94 Ca 0.05 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.27 0.59 -0.20 1.61 6.02 0.08 -4.60 117.38 118.60 1jwe n GLN 95 Ca -0.15 -0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 56.72 1jwe n GLN 95 Cb 0.54 -1.62 0.06 0.00 1.02 0.00 0.00 30.24 30.24 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 0.54 -0.04 1.08 5.85 -1.82 -1.25 115.31 119.67 1jwe h LEU 96 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1jwe h LEU 96 Cb 0.96 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1jwe h LEU 96 CO 0.00 0.37 0.02 -0.78 -0.34 0.00 0.00 178.44 177.71 1jwe h ASP 97 N 0.66 0.05 -0.56 1.25 3.58 -1.90 0.11 116.42 119.61 1jwe h ASP 97 Ca 0.25 -0.11 0.12 0.00 0.42 0.00 0.00 57.03 57.70 1jwe h ASP 97 Cb 0.08 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 1jwe h ASP 97 CO -0.13 0.15 0.38 0.28 -2.88 0.00 0.00 179.24 177.05 1jwe h SER 98 N -0.05 0.23 0.74 2.28 0.02 -1.51 -1.36 113.55 113.90 1jwe h SER 98 Ca 0.01 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1jwe h SER 98 Cb 0.11 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.61 1jwe h SER 98 CO -0.00 0.14 -0.25 1.33 -1.14 0.00 0.00 176.83 176.91 1jwe n VAL 99 N -4.45 0.00 0.00 2.27 0.24 -0.74 -4.90 118.33 110.76 1jwe n VAL 99 Ca 0.10 -0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 1jwe n VAL 99 Cb 0.45 -0.13 0.00 0.00 -1.47 0.00 0.00 33.84 32.69 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 1.50 1.24 0.14 7.63 0.00 -0.52 -4.76 105.19 110.42 1jwe n GLY 100 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.09 -1.47 0.36 -0.02 0.00 0.36 -3.73 105.19 100.61 1jwe n GLY 101 Ca 0.00 -1.49 0.10 0.00 0.00 0.00 0.00 46.02 44.62 1jwe n GLY 101 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jwe h PHE 102 N -0.13 0.70 -0.95 1.61 3.04 -1.96 -2.21 116.94 117.03 1jwe h PHE 102 Ca 0.00 0.02 0.09 0.00 3.98 0.00 0.00 57.97 62.06 1jwe h PHE 102 Cb 0.13 -0.23 -0.07 0.00 2.56 0.00 0.00 35.95 38.34 1jwe h PHE 102 CO -0.27 0.33 0.61 0.00 -2.02 0.00 0.00 178.31 176.96 1jwe h ALA 103 N 1.62 1.54 -0.40 2.41 0.00 -1.98 -0.09 119.26 122.36 1jwe h ALA 103 Ca 0.35 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 1jwe h ALA 103 Cb 0.49 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1jwe h ALA 103 CO -0.13 0.28 -0.01 -0.92 0.00 0.00 0.00 179.25 178.47 1jwe h TYR 104 N 1.00 0.69 -0.09 0.00 5.03 -1.48 0.11 116.97 122.24 1jwe h TYR 104 Ca 0.44 -0.08 -0.03 0.00 2.58 0.00 0.00 58.73 61.64 1jwe h TYR 104 Cb 0.35 -0.19 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 1jwe h TYR 104 CO -0.00 0.66 -0.06 -0.07 -1.32 0.00 0.00 178.16 177.37 1jwe h LEU 105 N 0.62 0.20 -1.61 2.82 3.38 -1.23 -1.55 115.31 117.95 1jwe h LEU 105 Ca 0.13 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 1jwe h LEU 105 Cb 0.40 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1jwe h LEU 105 CO 0.02 0.60 0.22 0.00 0.09 0.00 0.00 178.44 179.37 1jwe h ALA 106 N 0.61 1.71 0.20 1.53 0.00 -0.77 -0.91 119.26 121.63 1jwe h ALA 106 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1jwe h ALA 106 Cb 0.53 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jwe h ALA 106 CO 0.02 0.26 -0.09 1.49 0.00 0.00 0.00 179.25 180.92 1jwe h GLU 107 N 0.50 -0.25 -0.68 0.00 4.81 -0.68 -2.90 114.58 115.38 1jwe h GLU 107 Ca 0.13 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.47 1jwe h GLU 107 Cb -0.03 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.34 1jwe h GLU 107 CO -0.03 -0.04 0.33 -0.07 -0.73 0.00 0.00 179.01 178.48 1jwe h LEU 108 N -0.43 0.42 -2.33 1.64 3.38 -0.68 0.08 115.31 117.40 1jwe h LEU 108 Ca -0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1jwe h LEU 108 Cb 0.33 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jwe h LEU 108 CO 0.04 0.25 0.19 -1.28 0.09 0.00 0.00 178.44 177.73 1jwe h SER 109 N 0.57 0.00 0.01 -0.43 0.87 -1.10 -0.48 113.55 113.00 1jwe h SER 109 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1jwe h SER 109 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 1jwe h SER 109 CO -0.26 0.00 -0.28 0.29 -0.53 0.00 0.00 176.83 176.05 1jwe n LYS 110 N -3.54 1.51 -0.71 2.24 4.01 -0.02 -4.51 118.16 117.14 1jwe n LYS 110 Ca 0.00 -1.19 0.03 0.00 -0.51 0.00 0.00 58.31 56.64 1jwe n LYS 110 Cb 0.29 -1.48 0.29 0.00 -0.51 0.00 0.00 35.03 33.62 1jwe n LYS 110 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1jwe n ASN 111 N 0.29 4.24 -3.75 4.39 3.02 -0.19 -4.88 115.26 118.38 1jwe n ASN 111 Ca 0.12 -3.16 -0.17 0.00 -0.03 0.00 0.00 54.58 51.34 1jwe n ASN 111 Cb 0.48 -0.63 -0.17 0.00 -0.61 0.00 0.00 39.78 38.85 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1jwe s THR 112 N -2.92 -0.03 -1.41 3.41 2.01 -1.26 -4.10 115.64 111.35 1jwe s THR 112 Ca 0.48 0.25 -0.11 0.00 0.31 0.00 0.00 61.69 62.62 1jwe s THR 112 Cb 0.39 -0.14 -0.05 0.00 0.01 0.00 0.00 72.50 72.70 1jwe s THR 112 CO 0.10 0.13 2.56 -0.81 -0.69 0.00 0.00 174.62 175.90 1jwe n PRO 113 N 4.51 3.06 -0.40 4.92 -0.04 -1.26 -4.89 135.00 140.90 1jwe n PRO 113 Ca -0.20 -2.17 0.05 0.00 -0.04 0.00 0.00 63.50 61.14 1jwe n PRO 113 Cb 0.50 -2.89 -0.01 0.00 -0.04 0.00 0.00 33.50 31.06 1jwe n PRO 113 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1jwe n SER 114 N 4.66 -6.70 -0.12 3.54 7.64 -1.26 -3.44 113.62 117.94 1jwe n SER 114 Ca 0.64 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1jwe n SER 114 Cb 0.27 -1.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1jwe n SER 114 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jwe n ALA 115 N -0.63 1.70 -1.61 -0.43 0.00 -1.26 -4.77 120.51 113.51 1jwe n ALA 115 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.99 1jwe n ALA 115 Cb 0.18 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.59 1jwe n ALA 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jwe n ALA 116 N -0.30 1.42 -3.00 0.00 0.00 -1.22 -2.56 120.51 114.84 1jwe n ALA 116 Ca 0.00 -0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1jwe n ALA 116 Cb 0.02 -2.72 -0.00 0.00 0.00 0.00 0.00 19.45 16.75 1jwe n ALA 116 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jwe n ASN 117 N 9.41 -3.94 -0.33 0.00 3.02 -1.26 -4.85 115.26 117.30 1jwe n ASN 117 Ca 0.28 -0.16 0.13 0.00 -0.03 0.00 0.00 54.58 54.80 1jwe n ASN 117 Cb 0.37 -3.28 0.35 0.00 -0.61 0.00 0.00 39.78 36.60 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 -0.67 0.74 -0.48 2.41 2.10 -1.80 0.13 117.51 119.95 1jwe h ILE 118 Ca -0.38 -0.25 0.02 0.00 1.08 0.00 0.00 64.86 65.33 1jwe h ILE 118 Cb 1.27 -0.05 -0.03 0.00 -1.09 0.00 0.00 36.82 36.92 1jwe h ILE 118 CO 0.46 0.13 0.32 0.28 -1.08 0.00 0.00 178.15 178.26 1jwe h SER 119 N 0.73 0.49 0.10 2.19 0.02 -1.89 0.51 113.55 115.71 1jwe h SER 119 Ca 0.54 -0.01 -0.26 0.00 -0.84 0.00 0.00 61.79 61.22 1jwe h SER 119 Cb 0.88 -0.12 0.02 0.00 0.14 0.00 0.00 62.40 63.32 1jwe h SER 119 CO -0.31 0.35 -1.02 0.00 -1.14 0.00 0.00 176.83 174.70 1jwe h ALA 120 N 1.72 0.19 -0.56 3.77 0.00 -1.16 -2.20 119.26 121.02 1jwe h ALA 120 Ca 0.19 -0.70 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1jwe h ALA 120 Cb 0.04 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1jwe h ALA 120 CO -0.05 0.72 0.20 1.88 0.00 0.00 0.00 179.25 182.01 1jwe h TYR 121 N 0.35 0.88 -0.50 0.00 0.05 -0.58 -2.23 116.97 114.93 1jwe h TYR 121 Ca -0.12 -0.08 -0.02 0.00 0.05 0.00 0.00 58.73 58.57 1jwe h TYR 121 Cb 1.67 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 39.13 1jwe h TYR 121 CO 0.09 0.72 0.24 0.00 -1.05 0.00 0.00 178.16 178.17 1jwe h ALA 122 N 1.06 1.49 -0.87 3.88 0.00 -0.97 -2.28 119.26 121.57 1jwe h ALA 122 Ca 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1jwe h ALA 122 Cb 0.24 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1jwe h ALA 122 CO -0.01 0.41 0.57 0.22 0.00 0.00 0.00 179.25 180.44 1jwe h ASP 123 N 0.70 1.01 0.46 0.00 3.58 -0.81 -0.25 116.42 121.11 1jwe h ASP 123 Ca 0.18 -0.03 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 1jwe h ASP 123 Cb 0.07 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.87 1jwe h ASP 123 CO -0.02 0.74 -0.22 0.40 -2.88 0.00 0.00 179.24 177.25 1jwe h ILE 124 N 1.19 0.55 -0.52 2.25 2.04 -0.97 -1.96 117.51 120.09 1jwe h ILE 124 Ca 0.32 -0.04 0.06 0.00 1.00 0.00 0.00 64.86 66.20 1jwe h ILE 124 Cb -0.12 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 1jwe h ILE 124 CO -0.07 0.01 0.24 0.58 0.00 0.00 0.00 178.15 178.91 1jwe h VAL 125 N -0.64 0.91 0.36 1.67 2.07 -0.97 0.10 116.25 119.74 1jwe h VAL 125 Ca -0.06 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1jwe h VAL 125 Cb 0.49 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1jwe h VAL 125 CO 0.10 0.08 -0.27 -0.09 0.02 0.00 0.00 177.57 177.42 1jwe h ARG 126 N 0.46 -0.61 -0.14 1.57 9.65 -1.10 -0.09 114.38 124.13 1jwe h ARG 126 Ca 0.24 0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 59.12 1jwe h ARG 126 Cb 0.19 0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 1jwe h ARG 126 CO -0.19 -0.40 -0.08 1.49 2.80 0.00 0.00 179.97 183.58 1jwe h GLU 127 N -0.63 0.21 -0.02 0.20 4.81 -0.62 0.51 114.58 119.04 1jwe h GLU 127 Ca -0.03 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 1jwe h GLU 127 Cb 0.54 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.89 1jwe h GLU 127 CO -0.00 0.31 -0.86 0.00 -0.73 0.00 0.00 179.01 177.73 1jwe h ARG 128 N 0.20 0.35 -0.63 1.92 -0.00 -0.70 -0.83 114.38 114.68 1jwe h ARG 128 Ca 0.04 -0.34 -0.02 0.00 -0.50 0.00 0.00 59.98 59.16 1jwe h ARG 128 Cb 0.28 0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.31 1jwe h ARG 128 CO 0.01 1.02 0.31 0.00 0.00 0.00 0.00 179.97 181.31 1jwe h ALA 129 N 0.87 0.81 -0.84 0.04 0.00 -0.01 -0.65 119.26 119.49 1jwe h ALA 129 Ca -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1jwe h ALA 129 Cb 1.47 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.97 1jwe h ALA 129 CO 0.14 0.37 0.46 0.28 0.00 0.00 0.00 179.25 180.50 1jwe h VAL 130 N 0.87 1.24 -0.67 0.00 2.07 -0.82 0.13 116.25 119.07 1jwe h VAL 130 Ca 0.22 -0.60 -0.05 0.00 0.82 0.00 0.00 66.70 67.09 1jwe h VAL 130 Cb 0.11 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 29.97 1jwe h VAL 130 CO -0.03 0.27 0.22 0.58 0.02 0.00 0.00 177.57 178.64 1jwe h VAL 131 N 1.16 1.25 -0.27 2.57 2.07 -0.91 -2.46 116.25 119.67 1jwe h VAL 131 Ca 0.30 -0.84 -0.08 0.00 0.82 0.00 0.00 66.70 66.89 1jwe h VAL 131 Cb 0.02 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1jwe h VAL 131 CO -0.05 0.33 -0.18 -0.09 0.02 0.00 0.00 177.57 177.59 1jwe h ARG 132 N 0.97 0.48 -0.03 1.57 1.12 -0.04 -3.08 114.38 115.37 1jwe h ARG 132 Ca 0.22 -0.16 -0.23 0.00 -1.11 0.00 0.00 59.98 58.70 1jwe h ARG 132 Cb 0.28 -0.04 0.01 0.00 -0.01 0.00 0.00 29.97 30.20 1jwe h ARG 132 CO -0.01 0.65 -0.91 1.05 -3.11 0.00 0.00 179.97 177.64 1jwe h GLU 133 N 0.44 0.51 0.00 0.20 4.11 -0.69 -3.30 114.58 115.85 1jwe h GLU 133 Ca 0.07 -0.51 0.00 0.00 0.07 0.00 0.00 59.36 58.99 1jwe h GLU 133 Cb 0.57 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1jwe h GLU 133 CO 0.04 1.15 0.00 0.00 0.07 0.00 0.00 179.01 180.27 1jwe n MET 134 N -3.80 0.81 0.25 1.06 0.00 -0.94 -3.91 117.12 110.59 1jwe n MET 134 Ca -0.07 0.00 0.17 0.00 0.00 0.00 0.00 57.70 57.80 1jwe n MET 134 Cb 0.82 -1.36 0.83 0.00 0.00 0.00 0.00 33.22 33.51 1jwe n MET 134 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 175.97 176.79 1jwe h ILE 135 N 0.00 0.00 0.00 3.17 1.08 -1.64 -3.51 117.51 116.61 1jwe h ILE 135 Ca 0.00 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1jwe h ILE 135 Cb 0.00 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 34.71 1jwe h ILE 135 CO 0.00 0.00 0.00 -1.54 -0.69 0.00 0.00 178.15 175.92