#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jwe n LYS 24 N 0.00 2.15 -3.64 0.03 0.00 -1.26 -5.02 118.16 110.43 1jwe n LYS 24 Ca 0.00 0.77 -0.13 0.00 -0.00 0.00 0.00 58.31 58.95 1jwe n LYS 24 Cb 0.00 -2.46 -0.07 0.00 -0.00 0.00 0.00 35.03 32.50 1jwe n LYS 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1jwe s VAL 25 N 0.12 -0.00 0.95 0.58 0.11 -1.26 -5.18 120.40 115.72 1jwe s VAL 25 Ca 0.69 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.62 1jwe s VAL 25 Cb -0.63 -0.98 0.16 0.00 -1.53 0.00 0.00 36.38 33.39 1jwe s VAL 25 CO 0.47 0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 171.19 1jwe s PRO 26 N 0.60 0.86 -0.15 1.54 0.04 -1.26 -4.92 135.00 131.71 1jwe s PRO 26 Ca -0.02 0.50 -0.29 0.00 0.04 0.00 0.00 61.00 61.24 1jwe s PRO 26 Cb -0.05 -1.79 -0.06 0.00 0.04 0.00 0.00 34.50 32.64 1jwe s PRO 26 CO -0.03 -2.43 2.05 -1.25 0.04 0.00 0.00 177.00 175.38 1jwe s PRO 27 N -5.06 3.51 0.00 0.56 0.04 -1.26 -4.55 135.00 128.24 1jwe s PRO 27 Ca 0.64 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.81 1jwe s PRO 27 Cb -0.17 -4.26 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1jwe s PRO 27 CO 0.56 -1.66 0.00 -2.39 0.04 0.00 0.00 177.00 173.55 1jwe n HIS 28 N 10.02 0.00 -3.27 0.56 1.44 -1.26 -4.62 115.22 118.09 1jwe n HIS 28 Ca 0.25 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.84 1jwe n HIS 28 Cb 0.44 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.56 1jwe n HIS 28 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 1jwe n SER 29 N -0.30 -6.79 -0.26 4.39 3.41 -1.26 -4.44 113.62 108.37 1jwe n SER 29 Ca 0.00 -0.22 0.03 0.00 -0.26 0.00 0.00 58.87 58.42 1jwe n SER 29 Cb 0.00 -3.96 0.12 0.00 -0.26 0.00 0.00 64.21 60.11 1jwe n SER 29 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1jwe h ILE 30 N 0.70 0.29 -0.10 -1.33 2.10 -1.98 -0.29 117.51 116.89 1jwe h ILE 30 Ca -0.23 -0.01 -0.08 0.00 1.08 0.00 0.00 64.86 65.62 1jwe h ILE 30 Cb 1.15 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 1jwe h ILE 30 CO 0.29 0.01 -0.28 -0.33 -1.08 0.00 0.00 178.15 176.76 1jwe h GLU 31 N 0.04 0.18 -0.24 2.19 5.08 -1.99 0.16 114.58 120.00 1jwe h GLU 31 Ca 0.39 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.63 1jwe h GLU 31 Cb 0.64 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1jwe h GLU 31 CO -0.72 0.45 -0.07 0.00 -1.00 0.00 0.00 179.01 177.68 1jwe h ALA 32 N 1.55 0.33 -0.82 3.43 0.00 -1.49 -2.25 119.26 120.00 1jwe h ALA 32 Ca 0.02 -0.27 0.15 0.00 0.00 0.00 0.00 54.91 54.81 1jwe h ALA 32 Cb 0.59 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.20 1jwe h ALA 32 CO 0.04 0.13 0.40 0.93 0.00 0.00 0.00 179.25 180.75 1jwe h GLU 33 N 0.20 0.55 0.69 0.00 5.08 -0.49 -1.56 114.58 119.04 1jwe h GLU 33 Ca 0.06 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1jwe h GLU 33 Cb 0.53 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1jwe h GLU 33 CO 0.03 0.36 -0.33 1.96 -1.00 0.00 0.00 179.01 180.03 1jwe h GLN 34 N 0.56 -0.89 0.00 2.33 4.20 -0.88 -2.54 115.11 117.89 1jwe h GLN 34 Ca 0.45 0.06 -0.02 0.00 0.06 0.00 0.00 58.65 59.21 1jwe h GLN 34 Cb 0.66 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.64 1jwe h GLN 34 CO -0.38 -0.58 -0.08 0.77 -0.67 0.00 0.00 178.83 177.89 1jwe h SER 35 N -0.96 0.00 0.51 1.46 0.02 -0.88 0.11 113.55 113.80 1jwe h SER 35 Ca -0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1jwe h SER 35 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1jwe h SER 35 CO 0.15 0.08 -0.24 0.58 -1.14 0.00 0.00 176.83 176.26 1jwe h VAL 36 N 0.00 0.25 -0.58 2.27 2.07 -1.27 -0.23 116.25 118.76 1jwe h VAL 36 Ca -0.00 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 1jwe h VAL 36 Cb 0.15 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1jwe h VAL 36 CO 0.01 0.05 0.20 -0.07 0.02 0.00 0.00 177.57 177.77 1jwe h LEU 37 N -1.06 0.84 -1.25 2.57 3.38 -0.98 -0.41 115.31 118.39 1jwe h LEU 37 Ca -0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1jwe h LEU 37 Cb 0.60 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jwe h LEU 37 CO 0.11 0.81 -0.37 1.23 0.09 0.00 0.00 178.44 180.32 1jwe h GLY 38 N 0.82 0.01 1.05 0.83 0.00 -0.93 -2.99 103.07 101.86 1jwe h GLY 38 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.42 1jwe h GLY 38 CO -0.01 0.01 0.03 -1.33 0.00 0.00 0.00 176.54 175.24 1jwe h GLY 39 N 1.10 1.08 2.00 4.60 0.00 0.23 -2.87 103.07 109.21 1jwe h GLY 39 Ca -0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.52 1jwe h GLY 39 CO 0.05 0.71 -0.18 1.41 0.00 0.00 0.00 176.54 178.53 1jwe h LEU 40 N 0.89 0.00 -1.74 3.11 3.38 -0.98 -0.57 115.31 119.39 1jwe h LEU 40 Ca 0.17 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1jwe h LEU 40 Cb 0.51 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1jwe h LEU 40 CO 0.02 0.18 -0.16 0.24 0.09 0.00 0.00 178.44 178.81 1jwe h MET 41 N 0.00 0.00 0.13 1.13 2.86 -1.45 -2.75 114.93 114.85 1jwe h MET 41 Ca -0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.34 1jwe h MET 41 Cb 0.34 0.00 0.03 0.00 0.06 0.00 0.00 31.60 32.03 1jwe h MET 41 CO 0.02 0.16 -1.25 -0.07 1.06 0.00 0.00 176.91 176.84 1jwe h LEU 42 N 0.00 0.79 -6.55 1.22 4.07 -1.14 -3.45 115.31 110.25 1jwe h LEU 42 Ca -0.00 -0.75 -0.40 0.00 0.08 0.00 0.00 57.88 56.81 1jwe h LEU 42 Cb 0.40 -0.25 -0.35 0.00 1.08 0.00 0.00 40.66 41.54 1jwe h LEU 42 CO 0.02 1.56 -0.69 -0.62 -1.08 0.00 0.00 178.44 177.62 1jwe s ASP 43 N -7.38 2.11 0.51 -0.43 -1.08 -1.00 -5.01 116.67 104.38 1jwe s ASP 43 Ca -0.08 -1.14 0.19 0.00 -0.52 0.00 0.00 52.55 51.00 1jwe s ASP 43 Cb 0.06 0.25 1.29 0.00 -1.46 0.00 0.00 42.92 43.06 1jwe s ASP 43 CO 0.92 -0.37 2.10 0.78 0.52 0.00 0.00 175.17 179.12 1jwe h ASN 44 N 7.98 0.00 1.45 -0.34 2.35 -1.87 -2.01 115.58 123.15 1jwe h ASN 44 Ca -0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1jwe h ASN 44 Cb 1.05 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.42 1jwe h ASN 44 CO 0.33 0.08 0.00 -0.33 -1.65 0.00 0.00 177.43 175.86 1jwe h GLU 45 N 0.00 0.00 0.00 0.81 5.08 -1.95 -2.71 114.58 115.82 1jwe h GLU 45 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jwe h GLU 45 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1jwe h GLU 45 CO 0.01 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.56 1jwe n ARG 46 N -2.82 0.48 -0.22 2.33 5.12 -0.75 -3.15 116.66 117.65 1jwe n ARG 46 Ca 0.03 0.05 -0.02 0.00 -1.93 0.00 0.00 57.85 55.97 1jwe n ARG 46 Cb 0.41 -1.50 0.04 0.00 -1.16 0.00 0.00 32.46 30.25 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 -0.65 -0.10 -1.55 2.91 -1.63 -0.85 115.95 114.09 1jwe h TRP 47 Ca 0.00 0.07 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 1jwe h TRP 47 Cb 0.10 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.12 1jwe h TRP 47 CO 0.00 -0.34 -0.27 -0.44 -1.03 0.00 0.00 178.44 176.36 1jwe h ASP 48 N -0.09 0.17 -0.06 2.65 3.32 -1.81 0.31 116.42 120.93 1jwe h ASP 48 Ca 0.28 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.25 1jwe h ASP 48 Cb 0.53 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 1jwe h ASP 48 CO -0.69 0.45 -0.07 0.44 -1.72 0.00 0.00 179.24 177.65 1jwe h ASP 49 N 0.16 0.16 -0.64 6.45 5.19 -1.48 -1.26 116.42 124.99 1jwe h ASP 49 Ca 0.02 -0.51 -0.04 0.00 -0.62 0.00 0.00 57.03 55.88 1jwe h ASP 49 Cb 0.57 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 40.01 1jwe h ASP 49 CO 0.04 0.64 0.23 0.58 -3.12 0.00 0.00 179.24 177.61 1jwe h VAL 50 N -0.32 1.24 0.00 -1.35 2.07 -1.14 -1.81 116.25 114.94 1jwe h VAL 50 Ca 0.01 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.74 1jwe h VAL 50 Cb 0.60 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1jwe h VAL 50 CO 0.02 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.91 1jwe h ALA 51 N 1.09 1.00 -0.01 1.67 0.00 -0.16 0.27 119.26 123.12 1jwe h ALA 51 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1jwe h ALA 51 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jwe h ALA 51 CO -0.01 0.00 -0.39 0.39 0.00 0.00 0.00 179.25 179.23 1jwe n GLU 52 N -2.73 1.03 -0.11 0.00 -0.58 -0.50 -4.20 120.64 113.55 1jwe n GLU 52 Ca -0.01 -0.76 -0.17 0.00 -0.42 0.00 0.00 57.16 55.80 1jwe n GLU 52 Cb 0.16 -1.48 -0.13 0.00 -0.57 0.00 0.00 31.44 29.42 1jwe n GLU 52 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1jwe n ARG 53 N -0.32 0.66 -3.81 3.49 5.12 0.09 -5.07 116.66 116.82 1jwe n ARG 53 Ca 0.10 0.13 -0.10 0.00 -1.93 0.00 0.00 57.85 56.06 1jwe n ARG 53 Cb 0.41 -1.54 -0.05 0.00 -1.16 0.00 0.00 32.46 30.13 1jwe n ARG 53 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1jwe s VAL 54 N -2.52 0.05 0.36 1.55 -7.23 0.72 -4.69 120.40 108.65 1jwe s VAL 54 Ca -0.30 -0.99 0.05 0.00 -1.81 0.00 0.00 61.98 58.93 1jwe s VAL 54 Cb 0.08 -1.63 -0.07 0.00 0.56 0.00 0.00 36.38 35.32 1jwe s VAL 54 CO 0.65 -0.22 0.03 0.68 -0.31 0.00 0.00 175.10 175.94 1jwe s VAL 55 N -3.90 1.57 0.47 1.32 -7.23 -1.26 -3.97 120.40 107.40 1jwe s VAL 55 Ca 0.11 -2.00 0.13 0.00 -1.81 0.00 0.00 61.98 58.41 1jwe s VAL 55 Cb 0.01 -2.88 0.28 0.00 0.56 0.00 0.00 36.38 34.35 1jwe s VAL 55 CO -0.03 -0.01 2.08 0.00 -0.31 0.00 0.00 175.10 176.84 1jwe h ALA 56 N 1.96 1.91 -0.24 1.32 0.00 -1.93 -1.11 119.26 121.18 1jwe h ALA 56 Ca -0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.54 1jwe h ALA 56 Cb 1.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1jwe h ALA 56 CO 0.75 0.05 0.26 -0.44 0.00 0.00 0.00 179.25 179.87 1jwe h ASP 57 N 0.28 0.00 1.76 0.00 3.32 -1.96 -1.74 116.42 118.08 1jwe h ASP 57 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1jwe h ASP 57 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 1jwe h ASP 57 CO -0.02 0.00 -0.12 0.44 -1.72 0.00 0.00 179.24 177.82 1jwe h ASP 58 N 0.00 0.00 -3.18 6.45 3.32 -1.60 -3.44 116.42 117.98 1jwe h ASP 58 Ca 0.11 -0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.57 1jwe h ASP 58 Cb 0.63 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 1jwe h ASP 58 CO -0.00 0.00 0.77 -0.36 -1.72 0.00 0.00 179.24 177.94 1jwe s PHE 59 N -3.20 3.27 0.05 4.55 0.40 -0.65 -4.69 117.98 117.71 1jwe s PHE 59 Ca 0.07 1.34 -0.17 0.00 -0.60 0.00 0.00 56.93 57.56 1jwe s PHE 59 Cb 0.07 -3.38 -0.19 0.00 0.51 0.00 0.00 43.02 40.03 1jwe s PHE 59 CO 0.67 -0.57 1.22 -0.92 0.70 0.00 0.00 175.22 176.32 1jwe h TYR 60 N 7.69 0.74 -3.36 0.36 3.20 -1.86 -3.43 116.97 120.32 1jwe h TYR 60 Ca -0.20 -0.34 -0.55 0.00 3.14 0.00 0.00 58.73 60.78 1jwe h TYR 60 Cb 1.06 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 39.19 1jwe h TYR 60 CO 0.78 1.13 0.34 0.95 -1.64 0.00 0.00 178.16 179.72 1jwe s THR 61 N -3.61 4.90 0.25 1.81 -4.23 -1.26 -4.93 115.64 108.56 1jwe s THR 61 Ca -0.12 1.87 -0.09 0.00 -1.18 0.00 0.00 61.69 62.16 1jwe s THR 61 Cb 0.06 -4.23 0.35 0.00 1.34 0.00 0.00 72.50 70.02 1jwe s THR 61 CO 0.84 0.14 1.59 -0.09 -0.54 0.00 0.00 174.62 176.56 1jwe h ARG 62 N 6.91 0.01 -0.15 3.99 2.43 -1.98 0.92 114.38 126.50 1jwe h ARG 62 Ca -0.38 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 58.78 1jwe h ARG 62 Cb 1.19 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1jwe h ARG 62 CO 0.78 0.01 0.07 -1.00 -1.51 0.00 0.00 179.97 178.32 1jwe h PRO 63 N 0.01 0.23 -0.25 0.20 0.13 -1.88 0.75 132.00 131.19 1jwe h PRO 63 Ca 0.42 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.42 1jwe h PRO 63 Cb 0.68 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 1jwe h PRO 63 CO -0.84 0.30 -0.25 0.45 -0.23 0.00 0.00 178.00 177.43 1jwe h HIS 64 N 0.11 0.54 -0.30 1.56 3.86 -1.72 -1.05 115.15 118.14 1jwe h HIS 64 Ca 0.05 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1jwe h HIS 64 Cb 0.15 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.47 1jwe h HIS 64 CO -0.02 0.69 0.14 -0.09 0.86 0.00 0.00 177.93 179.51 1jwe h ARG 65 N 0.43 0.44 -0.09 2.45 1.12 -0.57 0.28 114.38 118.44 1jwe h ARG 65 Ca 0.06 -0.07 0.04 0.00 -1.11 0.00 0.00 59.98 58.91 1jwe h ARG 65 Cb 0.66 -0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.49 1jwe h ARG 65 CO 0.05 0.42 -0.24 0.45 -3.11 0.00 0.00 179.97 177.53 1jwe h HIS 66 N 0.35 -0.64 -0.52 2.20 3.86 -0.67 -0.67 115.15 119.07 1jwe h HIS 66 Ca 0.10 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1jwe h HIS 66 Cb 0.13 0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.87 1jwe h HIS 66 CO -0.02 -0.33 0.27 0.82 0.86 0.00 0.00 177.93 179.54 1jwe h ILE 67 N -0.33 1.18 -0.06 2.45 2.04 -0.87 0.86 117.51 122.79 1jwe h ILE 67 Ca 0.09 -0.47 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1jwe h ILE 67 Cb 0.46 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1jwe h ILE 67 CO -0.28 0.19 -0.05 0.15 0.00 0.00 0.00 178.15 178.17 1jwe h PHE 68 N 0.69 -0.11 -0.50 1.37 3.04 -0.84 -0.67 116.94 119.93 1jwe h PHE 68 Ca 0.18 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.12 1jwe h PHE 68 Cb 0.06 0.06 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1jwe h PHE 68 CO -0.01 -0.07 0.22 1.15 -2.02 0.00 0.00 178.31 177.57 1jwe h THR 69 N -0.05 1.17 -0.55 4.41 2.02 -0.70 -0.32 112.91 118.89 1jwe h THR 69 Ca 0.04 -0.51 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1jwe h THR 69 Cb 0.11 0.56 -0.02 0.00 -1.74 0.00 0.00 68.15 67.06 1jwe h THR 69 CO -0.10 0.21 -0.04 -0.08 0.37 0.00 0.00 175.52 175.88 1jwe h GLU 70 N 0.70 0.99 -0.08 6.66 4.57 -0.25 0.89 114.58 128.05 1jwe h GLU 70 Ca 0.17 -0.34 0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1jwe h GLU 70 Cb 0.10 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1jwe h GLU 70 CO -0.02 1.01 -0.01 0.52 -1.18 0.00 0.00 179.01 179.33 1jwe h MET 71 N 0.87 0.01 -0.90 1.92 2.86 -0.58 0.99 114.93 120.10 1jwe h MET 71 Ca 0.15 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.85 1jwe h MET 71 Cb 0.59 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.19 1jwe h MET 71 CO 0.04 0.01 0.59 0.00 1.06 0.00 0.00 176.91 178.60 1jwe h ALA 72 N 1.08 1.49 0.01 6.32 0.00 -0.76 -0.65 119.26 126.75 1jwe h ALA 72 Ca 0.04 -0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.68 1jwe h ALA 72 Cb 0.05 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jwe h ALA 72 CO -0.08 0.39 -0.98 0.00 0.00 0.00 0.00 179.25 178.58 1jwe h ARG 73 N 1.06 0.46 -0.44 0.00 -0.00 -0.43 -2.47 114.38 112.55 1jwe h ARG 73 Ca 0.38 -0.51 -0.06 0.00 -0.50 0.00 0.00 59.98 59.29 1jwe h ARG 73 Cb 0.15 0.15 -0.02 0.00 0.00 0.00 0.00 29.97 30.25 1jwe h ARG 73 CO -0.14 1.16 0.04 -0.07 0.00 0.00 0.00 179.97 180.96 1jwe h LEU 74 N 0.25 0.73 -0.76 3.04 3.38 -0.42 -1.01 115.31 120.52 1jwe h LEU 74 Ca -0.09 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.66 1jwe h LEU 74 Cb 1.63 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 1jwe h LEU 74 CO 0.17 0.83 0.44 -0.61 0.09 0.00 0.00 178.44 179.37 1jwe h GLN 75 N 0.60 0.77 -0.45 1.13 5.75 -1.19 0.97 115.11 122.69 1jwe h GLN 75 Ca 0.13 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1jwe h GLN 75 Cb 0.44 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 1jwe h GLN 75 CO 0.02 0.51 0.10 1.49 -2.65 0.00 0.00 178.83 178.30 1jwe h GLU 76 N 0.80 0.67 -0.11 1.69 4.81 -1.15 -1.08 114.58 120.21 1jwe h GLU 76 Ca 0.34 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1jwe h GLU 76 Cb 0.21 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1jwe h GLU 76 CO -0.19 0.62 0.00 -1.13 -0.73 0.00 0.00 179.01 177.58 1jwe n SER 77 N -4.30 0.78 -0.52 1.04 3.41 -0.41 -4.91 113.62 108.72 1jwe n SER 77 Ca 0.03 -1.77 -0.03 0.00 -0.26 0.00 0.00 58.87 56.84 1jwe n SER 77 Cb 0.21 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.84 0.45 3.45 5.00 0.00 -0.41 -5.04 105.19 109.48 1jwe n GLY 78 Ca 0.10 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.94 3.54 0.70 1.61 0.01 0.21 -5.00 113.70 111.84 1jwe s SER 79 Ca 0.03 -0.90 -0.14 0.00 1.31 0.00 0.00 55.95 56.25 1jwe s SER 79 Cb -0.01 -0.30 0.02 0.00 0.21 0.00 0.00 66.02 65.94 1jwe s SER 79 CO 0.03 0.09 1.13 -2.16 0.41 0.00 0.00 173.24 172.75 1jwe s PRO 80 N -2.94 2.50 -0.33 12.44 0.04 -1.26 -3.75 135.00 141.70 1jwe s PRO 80 Ca 0.24 1.46 0.03 0.00 0.04 0.00 0.00 61.00 62.76 1jwe s PRO 80 Cb -0.07 -1.91 0.48 0.00 0.04 0.00 0.00 34.50 33.05 1jwe s PRO 80 CO 0.12 -1.50 1.67 0.44 0.04 0.00 0.00 177.00 177.77 1jwe n ILE 81 N -2.70 2.60 -1.94 0.56 -5.35 -1.26 -4.67 119.36 106.60 1jwe n ILE 81 Ca 0.11 -1.39 -0.38 0.00 -0.27 0.00 0.00 62.75 60.82 1jwe n ILE 81 Cb 0.52 -0.62 0.03 0.00 -1.74 0.00 0.00 39.64 37.82 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 -0.66 5.52 0.18 7.28 2.15 -1.26 -4.23 116.67 125.65 1jwe s ASP 82 Ca 0.41 2.60 -0.16 0.00 0.43 0.00 0.00 52.55 55.84 1jwe s ASP 82 Cb 0.35 -2.62 0.15 0.00 -0.30 0.00 0.00 42.92 40.49 1jwe s ASP 82 CO 0.08 -1.38 1.65 0.25 -0.17 0.00 0.00 175.17 175.60 1jwe h LEU 83 N 1.59 -0.44 -0.01 -1.34 5.85 -1.93 -0.66 115.31 118.37 1jwe h LEU 83 Ca -0.50 0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1jwe h LEU 83 Cb 1.28 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 42.61 1jwe h LEU 83 CO 0.58 -0.16 0.00 0.40 -0.34 0.00 0.00 178.44 178.92 1jwe h ILE 84 N 0.00 1.16 -0.73 4.05 1.08 -1.98 0.54 117.51 121.63 1jwe h ILE 84 Ca 0.24 -0.46 0.09 0.00 -0.39 0.00 0.00 64.86 64.33 1jwe h ILE 84 Cb 0.36 1.45 -0.07 0.00 -3.07 0.00 0.00 36.82 35.49 1jwe h ILE 84 CO -0.50 0.12 0.38 0.74 -0.69 0.00 0.00 178.15 178.21 1jwe h THR 85 N -0.18 0.88 0.05 -0.27 2.02 -1.78 -0.26 112.91 113.37 1jwe h THR 85 Ca 0.00 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 1jwe h THR 85 Cb 0.20 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 1jwe h THR 85 CO -0.00 0.12 -0.02 0.25 0.37 0.00 0.00 175.52 176.24 1jwe h LEU 86 N 0.66 -0.05 -0.03 2.58 5.85 -0.76 -0.87 115.31 122.69 1jwe h LEU 86 Ca 0.36 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.82 1jwe h LEU 86 Cb 0.35 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1jwe h LEU 86 CO -0.25 0.23 -0.01 0.00 -0.34 0.00 0.00 178.44 178.07 1jwe h ALA 87 N 0.59 0.01 -0.80 1.25 0.00 -0.61 -1.20 119.26 118.50 1jwe h ALA 87 Ca -0.01 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.97 1jwe h ALA 87 Cb 0.31 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 1jwe h ALA 87 CO 0.01 -0.50 0.48 0.93 0.00 0.00 0.00 179.25 180.17 1jwe h GLU 88 N -0.01 0.87 -0.42 0.00 5.08 -1.06 -0.64 114.58 118.40 1jwe h GLU 88 Ca 0.02 -0.05 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1jwe h GLU 88 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1jwe h GLU 88 CO -0.03 0.57 -0.19 1.03 -1.00 0.00 0.00 179.01 179.39 1jwe h SER 89 N 0.89 0.83 -0.55 1.42 0.87 -0.71 0.17 113.55 116.47 1jwe h SER 89 Ca 0.35 -0.29 -0.07 0.00 -1.23 0.00 0.00 61.79 60.55 1jwe h SER 89 Cb 0.15 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1jwe h SER 89 CO -0.17 1.00 0.08 -0.07 -0.53 0.00 0.00 176.83 177.14 1jwe h LEU 90 N 0.72 0.92 -0.79 2.23 3.38 -0.80 -2.12 115.31 118.85 1jwe h LEU 90 Ca 0.11 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1jwe h LEU 90 Cb 0.70 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1jwe h LEU 90 CO 0.05 0.93 0.00 -0.08 0.09 0.00 0.00 178.44 179.44 1jwe h GLU 91 N 0.91 0.91 -0.60 1.13 4.81 -0.34 0.16 114.58 121.56 1jwe h GLU 91 Ca 0.18 -0.26 0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1jwe h GLU 91 Cb 0.42 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.64 1jwe h GLU 91 CO 0.01 0.91 0.28 0.00 -0.73 0.00 0.00 179.01 179.48 1jwe h ARG 92 N 0.84 0.50 0.00 1.92 3.08 -0.48 0.47 114.38 120.72 1jwe h ARG 92 Ca 0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1jwe h ARG 92 Cb 0.50 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1jwe h ARG 92 CO 0.02 0.33 0.00 1.04 -1.07 0.00 0.00 179.97 180.29 1jwe n GLN 93 N -4.91 0.29 -2.62 0.04 6.02 -0.82 -4.89 117.38 110.50 1jwe n GLN 93 Ca 0.08 0.09 -0.15 0.00 -0.01 0.00 0.00 57.00 57.00 1jwe n GLN 93 Cb 0.22 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.99 1jwe n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1jwe n GLY 94 N 0.49 -0.18 0.00 1.08 0.00 0.16 -4.91 105.19 101.83 1jwe n GLY 94 Ca 0.10 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.81 1.49 0.13 1.61 6.02 0.42 -4.70 117.38 119.53 1jwe n GLN 95 Ca -0.11 -1.00 -0.13 0.00 -0.01 0.00 0.00 57.00 55.75 1jwe n GLN 95 Cb 0.60 -0.75 -0.07 0.00 1.02 0.00 0.00 30.24 31.04 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 -0.32 -0.99 1.08 5.85 -1.80 -2.19 115.31 116.93 1jwe h LEU 96 Ca 0.00 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 1jwe h LEU 96 Cb 0.74 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.82 1jwe h LEU 96 CO 0.00 -0.20 0.65 -2.24 -0.34 0.00 0.00 178.44 176.31 1jwe h ASP 97 N -0.30 1.10 -0.91 1.25 2.03 -1.88 0.13 116.42 117.85 1jwe h ASP 97 Ca -0.01 -0.02 0.09 0.00 -0.73 0.00 0.00 57.03 56.36 1jwe h ASP 97 Cb 0.27 -0.26 -0.07 0.00 -0.83 0.00 0.00 39.33 38.43 1jwe h ASP 97 CO -0.01 0.77 0.56 -1.28 -1.03 0.00 0.00 179.24 178.25 1jwe h SER 98 N 1.29 0.84 0.72 4.15 0.87 -1.70 -0.60 113.55 119.11 1jwe h SER 98 Ca 0.38 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.98 1jwe h SER 98 Cb -0.06 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.76 1jwe h SER 98 CO -0.11 0.50 -0.17 1.33 -0.53 0.00 0.00 176.83 177.85 1jwe n VAL 99 N -4.64 0.00 0.00 2.23 0.24 -0.88 -4.84 118.33 110.44 1jwe n VAL 99 Ca 0.15 -0.01 0.00 0.00 -2.04 0.00 0.00 64.34 62.44 1jwe n VAL 99 Cb 0.25 -0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 1.45 1.12 0.00 7.63 0.00 -0.24 -4.77 105.19 110.38 1jwe n GLY 100 Ca 0.08 0.00 0.00 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 0.00 1.44 0.17 -0.02 0.00 0.45 -4.60 105.19 102.63 1jwe n GLY 101 Ca 0.00 -2.14 -0.06 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 0.36 0.00 1.61 3.04 -1.96 -2.10 116.94 117.89 1jwe h PHE 102 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1jwe h PHE 102 Cb 0.00 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.41 1jwe h PHE 102 CO 0.00 0.18 0.00 0.00 -2.02 0.00 0.00 178.31 176.47 1jwe h ALA 103 N 1.22 1.00 0.04 2.41 0.00 -1.97 0.10 119.26 122.06 1jwe h ALA 103 Ca 0.17 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1jwe h ALA 103 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1jwe h ALA 103 CO -0.13 0.00 -0.02 -0.92 0.00 0.00 0.00 179.25 178.18 1jwe h TYR 104 N 0.00 -0.05 -0.76 0.00 3.20 -1.63 -2.21 116.97 115.52 1jwe h TYR 104 Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1jwe h TYR 104 Cb 0.00 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 1jwe h TYR 104 CO 0.00 0.53 0.27 -0.07 -1.64 0.00 0.00 178.16 177.26 1jwe h LEU 105 N -0.68 1.07 -1.18 2.82 3.38 -1.08 -0.42 115.31 119.22 1jwe h LEU 105 Ca -0.01 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1jwe h LEU 105 Cb 0.60 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1jwe h LEU 105 CO 0.01 0.97 -0.04 0.00 0.09 0.00 0.00 178.44 179.48 1jwe h ALA 106 N 1.14 1.33 -0.24 1.53 0.00 -1.17 -0.79 119.26 121.06 1jwe h ALA 106 Ca 0.25 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1jwe h ALA 106 Cb 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jwe h ALA 106 CO -0.01 0.46 0.13 1.49 0.00 0.00 0.00 179.25 181.32 1jwe h GLU 107 N 0.49 0.34 -0.14 0.00 4.81 -0.59 -0.90 114.58 118.59 1jwe h GLU 107 Ca 0.10 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1jwe h GLU 107 Cb 0.38 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1jwe h GLU 107 CO 0.02 0.30 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.35 1jwe h LEU 108 N 0.28 -0.55 -0.11 1.64 3.38 -0.49 0.16 115.31 119.62 1jwe h LEU 108 Ca 0.09 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.16 1jwe h LEU 108 Cb 0.06 0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jwe h LEU 108 CO -0.01 -0.22 0.04 -1.28 0.09 0.00 0.00 178.44 177.05 1jwe h SER 109 N -0.22 0.05 0.67 -0.43 0.87 -1.03 -2.30 113.55 111.16 1jwe h SER 109 Ca 0.10 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.61 1jwe h SER 109 Cb 0.36 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 1jwe h SER 109 CO -0.27 0.04 -0.31 0.50 -0.53 0.00 0.00 176.83 176.27 1jwe h LYS 110 N 0.10 0.00 -0.57 2.24 3.64 -0.83 -3.08 116.57 118.06 1jwe h LYS 110 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1jwe h LYS 110 Cb 0.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 1jwe h LYS 110 CO -0.05 0.31 0.00 -1.71 -2.27 0.00 0.00 179.45 175.73 1jwe n ASN 111 N -3.64 1.35 -4.19 4.20 5.15 0.52 -4.71 115.26 113.95 1jwe n ASN 111 Ca -0.01 -2.09 -0.35 0.00 -0.60 0.00 0.00 54.58 51.52 1jwe n ASN 111 Cb 0.43 -0.33 -0.13 0.00 -0.53 0.00 0.00 39.78 39.21 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1jwe s THR 112 N -1.54 3.14 -1.13 -0.44 2.01 -1.17 -4.76 115.64 111.75 1jwe s THR 112 Ca 0.10 -1.37 -0.08 0.00 0.31 0.00 0.00 61.69 60.64 1jwe s THR 112 Cb 0.06 -2.82 -0.09 0.00 0.01 0.00 0.00 72.50 69.66 1jwe s THR 112 CO 0.04 -0.15 2.67 -0.81 -0.69 0.00 0.00 174.62 175.68 1jwe n PRO 113 N 4.65 2.82 -1.43 4.92 -0.04 -1.26 -4.87 135.00 139.78 1jwe n PRO 113 Ca -0.12 -1.73 0.19 0.00 -0.04 0.00 0.00 63.50 61.80 1jwe n PRO 113 Cb 0.43 -2.54 -0.05 0.00 -0.04 0.00 0.00 33.50 31.30 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 3.66 -8.54 -3.98 3.54 7.64 -1.26 -4.29 113.62 110.39 1jwe n SER 114 Ca 0.60 0.69 -0.43 0.00 1.01 0.00 0.00 58.87 60.75 1jwe n SER 114 Cb 0.27 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.05 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 -2.56 5.07 0.03 -0.43 0.00 -1.26 -4.73 120.51 116.62 1jwe n ALA 115 Ca -0.00 -4.26 -0.14 0.00 0.00 0.00 0.00 53.44 49.04 1jwe n ALA 115 Cb 0.66 -3.05 -0.14 0.00 0.00 0.00 0.00 19.45 16.92 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 6.05 0.46 -0.14 0.00 0.00 -1.97 -3.41 119.26 120.25 1jwe h ALA 116 Ca 0.40 -1.24 -0.19 0.00 0.00 0.00 0.00 54.91 53.88 1jwe h ALA 116 Cb 0.68 0.36 -0.32 0.00 0.00 0.00 0.00 17.79 18.50 1jwe h ALA 116 CO 1.57 1.31 -0.85 0.09 0.00 0.00 0.00 179.25 181.37 1jwe n ASN 117 N -3.32 0.56 -0.22 0.00 5.03 -1.26 -4.98 115.26 111.06 1jwe n ASN 117 Ca -0.17 -2.03 -0.00 0.00 0.87 0.00 0.00 54.58 53.24 1jwe n ASN 117 Cb 1.04 -0.14 0.11 0.00 -1.02 0.00 0.00 39.78 39.77 1jwe n ASN 117 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 1jwe h ILE 118 N 5.86 0.85 -0.50 2.41 2.10 -1.91 -0.16 117.51 126.16 1jwe h ILE 118 Ca -0.28 -0.18 -0.05 0.00 1.08 0.00 0.00 64.86 65.43 1jwe h ILE 118 Cb 1.54 0.28 -0.02 0.00 -1.09 0.00 0.00 36.82 37.53 1jwe h ILE 118 CO 0.03 0.10 0.12 0.28 -1.08 0.00 0.00 178.15 177.59 1jwe h SER 119 N 0.52 0.71 1.13 2.19 0.02 -1.93 0.92 113.55 117.11 1jwe h SER 119 Ca 0.31 -0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1jwe h SER 119 Cb 0.32 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1jwe h SER 119 CO -0.26 0.71 -0.44 0.00 -1.14 0.00 0.00 176.83 175.70 1jwe h ALA 120 N 1.39 0.84 -0.03 3.77 0.00 -1.50 0.54 119.26 124.26 1jwe h ALA 120 Ca 0.16 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.56 1jwe h ALA 120 Cb 0.28 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.01 1jwe h ALA 120 CO -0.00 0.55 -0.43 1.88 0.00 0.00 0.00 179.25 181.25 1jwe h TYR 121 N 0.00 0.50 -0.37 0.00 0.05 -0.66 -3.23 116.97 113.26 1jwe h TYR 121 Ca -0.00 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 1jwe h TYR 121 Cb 1.12 -0.07 -0.02 0.00 1.01 0.00 0.00 36.73 38.78 1jwe h TYR 121 CO 0.00 1.03 0.23 0.00 -1.05 0.00 0.00 178.16 178.37 1jwe h ALA 122 N 0.36 1.71 0.00 3.88 0.00 -0.72 0.03 119.26 124.52 1jwe h ALA 122 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1jwe h ALA 122 Cb 1.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jwe h ALA 122 CO 0.09 0.26 -0.06 -0.44 0.00 0.00 0.00 179.25 179.09 1jwe h ASP 123 N 0.51 0.00 0.21 0.00 3.32 -0.96 0.15 116.42 119.65 1jwe h ASP 123 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 1jwe h ASP 123 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1jwe h ASP 123 CO -0.03 0.06 -0.10 0.40 -1.72 0.00 0.00 179.24 177.86 1jwe h ILE 124 N 0.00 0.85 -0.64 0.35 2.04 -1.00 -1.26 117.51 117.85 1jwe h ILE 124 Ca -0.00 -0.84 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1jwe h ILE 124 Cb 0.15 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 1jwe h ILE 124 CO 0.01 0.17 0.32 0.58 0.00 0.00 0.00 178.15 179.23 1jwe h VAL 125 N -0.74 0.90 0.45 1.67 2.07 -1.16 0.29 116.25 119.72 1jwe h VAL 125 Ca -0.03 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 1jwe h VAL 125 Cb 0.50 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1jwe h VAL 125 CO 0.05 0.11 -0.21 -0.09 0.02 0.00 0.00 177.57 177.44 1jwe h ARG 126 N 0.58 -0.58 -0.97 1.57 2.43 -0.79 -0.24 114.38 116.38 1jwe h ARG 126 Ca 0.30 0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.55 1jwe h ARG 126 Cb 0.26 0.13 -0.06 0.00 -0.42 0.00 0.00 29.97 29.88 1jwe h ARG 126 CO -0.22 -0.34 0.63 1.49 -1.51 0.00 0.00 179.97 180.02 1jwe h GLU 127 N -0.68 1.16 -0.75 0.20 4.57 -0.68 0.16 114.58 118.56 1jwe h GLU 127 Ca -0.06 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1jwe h GLU 127 Cb 0.50 -0.26 -0.03 0.00 -0.16 0.00 0.00 28.75 28.80 1jwe h GLU 127 CO 0.10 0.77 0.38 0.00 -1.18 0.00 0.00 179.01 179.07 1jwe h ARG 128 N 1.19 1.07 -0.52 1.92 2.47 -0.88 -0.44 114.38 119.19 1jwe h ARG 128 Ca 0.40 -0.15 -0.11 0.00 -1.26 0.00 0.00 59.98 58.86 1jwe h ARG 128 Cb 0.06 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 28.16 1jwe h ARG 128 CO -0.14 0.82 -0.10 0.00 0.56 0.00 0.00 179.97 181.11 1jwe h ALA 129 N 1.19 0.83 0.36 0.04 0.00 0.85 0.14 119.26 122.68 1jwe h ALA 129 Ca 0.26 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1jwe h ALA 129 Cb 0.09 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1jwe h ALA 129 CO -0.04 0.66 -0.22 0.28 0.00 0.00 0.00 179.25 179.93 1jwe h VAL 130 N 0.87 0.55 -0.19 0.00 2.07 -0.57 -0.59 116.25 118.38 1jwe h VAL 130 Ca 0.14 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.61 1jwe h VAL 130 Cb 0.65 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1jwe h VAL 130 CO 0.04 0.00 -0.09 0.58 0.02 0.00 0.00 177.57 178.12 1jwe h VAL 131 N -0.55 1.18 0.49 2.57 2.07 -0.97 0.28 116.25 121.31 1jwe h VAL 131 Ca -0.04 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.71 1jwe h VAL 131 Cb 0.45 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1jwe h VAL 131 CO 0.04 0.24 -0.29 -0.09 0.02 0.00 0.00 177.57 177.50 1jwe h ARG 132 N 0.28 -0.71 0.00 1.57 2.43 -0.37 0.28 114.38 117.87 1jwe h ARG 132 Ca 0.06 0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.15 1jwe h ARG 132 Cb 0.35 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.04 1jwe h ARG 132 CO 0.02 -0.47 -0.59 1.05 -1.51 0.00 0.00 179.97 178.47 1jwe h GLU 133 N -0.73 0.00 -0.03 0.20 -0.00 -0.66 -2.00 114.58 111.35 1jwe h GLU 133 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 1jwe h GLU 133 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 1jwe h GLU 133 CO 0.06 0.59 0.00 -1.33 -0.00 0.00 0.00 179.01 178.34 1jwe n MET 134 N -3.67 1.09 -3.53 1.06 2.81 0.05 -4.94 117.12 109.99 1jwe n MET 134 Ca -0.01 -0.14 -0.19 0.00 -1.81 0.00 0.00 57.70 55.56 1jwe n MET 134 Cb 0.62 -1.12 0.07 0.00 -0.71 0.00 0.00 33.22 32.09 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 -0.47 -5.48 -0.42 2.02 2.08 -0.75 -5.00 119.36 111.33 1jwe n ILE 135 Ca 0.05 -0.51 0.00 0.00 0.56 0.00 0.00 62.75 62.85 1jwe n ILE 135 Cb 0.05 -4.57 0.00 0.00 -0.75 0.00 0.00 39.64 34.37 1jwe n ILE 135 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91