#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 0.42 -0.01 0.03 2.36 -1.26 -5.16 119.74 116.12 1jwe s LYS 24 Ca 0.00 0.17 0.02 0.00 -2.55 0.00 0.00 55.97 53.61 1jwe s LYS 24 Cb 0.00 0.19 -0.00 0.00 -1.05 0.00 0.00 37.83 36.97 1jwe s LYS 24 CO 0.00 -0.08 -0.07 0.08 1.55 0.00 0.00 175.35 176.83 1jwe s VAL 25 N -0.34 0.56 0.13 4.02 1.01 -1.26 -5.13 120.40 119.38 1jwe s VAL 25 Ca -0.05 -0.30 -0.31 0.00 0.00 0.00 0.00 61.98 61.33 1jwe s VAL 25 Cb -0.03 -0.48 -0.08 0.00 0.00 0.00 0.00 36.38 35.79 1jwe s VAL 25 CO 0.01 0.16 1.37 -2.84 0.00 0.00 0.00 175.10 173.80 1jwe s PRO 26 N -0.12 4.33 0.00 2.72 0.02 -1.26 -4.91 135.00 135.79 1jwe s PRO 26 Ca 0.02 2.06 0.15 0.00 0.02 0.00 0.00 61.00 63.25 1jwe s PRO 26 Cb -0.03 -3.24 0.66 0.00 0.02 0.00 0.00 34.50 31.90 1jwe s PRO 26 CO -0.00 -0.40 1.45 -0.35 -0.33 0.00 0.00 177.00 177.37 1jwe n PRO 27 N 3.72 0.06 -1.15 5.54 -0.04 -1.26 -5.01 135.00 136.86 1jwe n PRO 27 Ca 0.10 0.22 0.15 0.00 -0.04 0.00 0.00 63.50 63.94 1jwe n PRO 27 Cb 0.42 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.34 1jwe n PRO 27 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1jwe n HIS 28 N -1.44 -2.83 -1.91 0.54 8.25 -1.26 -4.95 115.22 111.62 1jwe n HIS 28 Ca 0.05 1.43 0.00 0.00 -0.26 0.00 0.00 57.72 58.93 1jwe n HIS 28 Cb 0.15 -2.57 0.00 0.00 1.12 0.00 0.00 29.99 28.69 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 -4.33 0.00 -0.14 0.41 3.41 -1.26 -4.96 113.62 106.74 1jwe n SER 29 Ca -0.00 -1.15 -0.07 0.00 -0.26 0.00 0.00 58.87 57.39 1jwe n SER 29 Cb 0.63 -0.03 -0.01 0.00 -0.26 0.00 0.00 64.21 64.55 1jwe n SER 29 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1jwe h ILE 30 N 4.58 0.23 -0.37 -1.33 1.08 -1.98 0.23 117.51 119.94 1jwe h ILE 30 Ca 0.00 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.37 1jwe h ILE 30 Cb 1.06 0.23 -0.02 0.00 -3.07 0.00 0.00 36.82 35.02 1jwe h ILE 30 CO 0.00 0.00 -0.17 -0.33 -0.69 0.00 0.00 178.15 176.96 1jwe h GLU 31 N -0.21 0.69 -0.03 2.37 5.08 -1.98 0.21 114.58 120.70 1jwe h GLU 31 Ca 0.19 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1jwe h GLU 31 Cb 0.53 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.73 1jwe h GLU 31 CO -0.58 0.82 0.02 0.00 -1.00 0.00 0.00 179.01 178.28 1jwe h ALA 32 N 1.19 0.04 -0.52 3.43 0.00 -1.64 -0.80 119.26 120.96 1jwe h ALA 32 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1jwe h ALA 32 Cb 0.64 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1jwe h ALA 32 CO 0.04 -0.45 0.20 0.93 0.00 0.00 0.00 179.25 179.98 1jwe h GLU 33 N 0.02 0.38 -0.01 0.00 5.08 -0.28 -0.39 114.58 119.37 1jwe h GLU 33 Ca 0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jwe h GLU 33 Cb 0.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1jwe h GLU 33 CO -0.00 0.25 -0.09 1.96 -1.00 0.00 0.00 179.01 180.13 1jwe h GLN 34 N 0.39 -0.14 -0.78 2.33 1.08 -0.42 -0.46 115.11 117.11 1jwe h GLN 34 Ca 0.25 0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.45 1jwe h GLN 34 Cb 0.26 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 1jwe h GLN 34 CO -0.24 -0.10 0.43 0.77 -0.95 0.00 0.00 178.83 178.74 1jwe h SER 35 N -0.15 0.97 0.31 1.46 0.02 -0.50 0.65 113.55 116.31 1jwe h SER 35 Ca 0.04 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 1jwe h SER 35 Cb 0.20 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.49 1jwe h SER 35 CO -0.10 0.78 -0.15 0.58 -1.14 0.00 0.00 176.83 176.80 1jwe h VAL 36 N 1.09 0.66 -0.76 2.27 2.07 -0.91 -1.66 116.25 119.01 1jwe h VAL 36 Ca 0.28 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 67.10 1jwe h VAL 36 Cb 0.02 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1jwe h VAL 36 CO -0.04 0.12 0.28 -0.07 0.02 0.00 0.00 177.57 177.87 1jwe h LEU 37 N -0.80 1.06 -0.18 2.57 3.38 -0.77 0.09 115.31 120.67 1jwe h LEU 37 Ca -0.04 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.77 1jwe h LEU 37 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1jwe h LEU 37 CO 0.07 0.96 0.04 1.23 0.09 0.00 0.00 178.44 180.83 1jwe h GLY 38 N 1.13 0.20 2.00 0.83 0.00 -0.98 -2.97 103.07 103.28 1jwe h GLY 38 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1jwe h GLY 38 CO -0.02 0.01 -0.00 -1.33 0.00 0.00 0.00 176.54 175.20 1jwe h GLY 39 N 0.12 0.00 1.02 4.60 0.00 -0.10 -1.33 103.07 107.38 1jwe h GLY 39 Ca 0.08 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 1jwe h GLY 39 CO -0.10 0.00 -0.30 1.41 0.00 0.00 0.00 176.54 177.55 1jwe h LEU 40 N 0.00 0.83 -0.82 3.11 3.38 -0.90 0.17 115.31 121.09 1jwe h LEU 40 Ca -0.00 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 1jwe h LEU 40 Cb 0.01 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1jwe h LEU 40 CO 0.00 1.12 0.17 0.24 0.09 0.00 0.00 178.44 180.06 1jwe h MET 41 N 0.56 1.05 0.00 1.13 2.86 -1.26 -2.68 114.93 116.59 1jwe h MET 41 Ca 0.06 -0.24 -0.06 0.00 -2.06 0.00 0.00 59.70 57.40 1jwe h MET 41 Cb 0.88 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1jwe h MET 41 CO 0.08 0.93 -0.28 1.25 1.06 0.00 0.00 176.91 179.94 1jwe h LEU 42 N 1.00 0.00 -5.95 1.22 6.46 -1.09 -3.42 115.31 113.53 1jwe h LEU 42 Ca 0.21 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1jwe h LEU 42 Cb 0.34 0.00 -0.19 0.00 -0.73 0.00 0.00 40.66 40.08 1jwe h LEU 42 CO -0.00 0.28 -0.39 -0.62 -0.62 0.00 0.00 178.44 177.08 1jwe s ASP 43 N -6.27 -1.46 0.63 1.25 2.15 0.60 -5.04 116.67 108.53 1jwe s ASP 43 Ca 0.01 -0.43 0.41 0.00 0.43 0.00 0.00 52.55 52.96 1jwe s ASP 43 Cb 0.10 1.87 2.10 0.00 -0.30 0.00 0.00 42.92 46.69 1jwe s ASP 43 CO 0.66 -0.20 2.25 -0.55 -0.17 0.00 0.00 175.17 177.16 1jwe h ASN 44 N 7.20 0.00 0.99 -0.34 7.08 -1.73 -1.95 115.58 126.83 1jwe h ASN 44 Ca 0.02 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 1jwe h ASN 44 Cb 1.19 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.43 1jwe h ASN 44 CO 0.10 0.00 0.00 -0.62 -2.08 0.00 0.00 177.43 174.83 1jwe n GLU 45 N -3.11 0.19 0.04 4.14 -0.58 -1.26 -1.58 120.64 118.47 1jwe n GLU 45 Ca -0.02 0.30 0.11 0.00 -0.42 0.00 0.00 57.16 57.13 1jwe n GLU 45 Cb 0.14 -1.79 0.46 0.00 -0.57 0.00 0.00 31.44 29.68 1jwe n GLU 45 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1jwe n ARG 46 N -2.12 0.08 0.03 3.49 5.12 -0.73 -3.95 116.66 118.57 1jwe n ARG 46 Ca 0.04 0.20 -0.15 0.00 -1.93 0.00 0.00 57.85 56.01 1jwe n ARG 46 Cb 0.30 -1.62 -0.09 0.00 -1.16 0.00 0.00 32.46 29.90 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 -1.48 0.00 -1.55 2.91 -1.45 0.49 115.95 114.87 1jwe h TRP 47 Ca 0.00 0.05 -0.04 0.00 1.13 0.00 0.00 58.89 60.03 1jwe h TRP 47 Cb 0.43 0.65 -0.01 0.00 -0.51 0.00 0.00 29.16 29.72 1jwe h TRP 47 CO 0.00 -0.54 -0.19 -0.44 -1.03 0.00 0.00 178.44 176.23 1jwe h ASP 48 N -0.61 0.00 0.00 2.65 3.32 -1.78 0.38 116.42 120.38 1jwe h ASP 48 Ca 0.04 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 1jwe h ASP 48 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1jwe h ASP 48 CO -0.39 0.19 -0.08 -0.78 -1.72 0.00 0.00 179.24 176.46 1jwe h ASP 49 N 0.00 0.07 -0.37 6.45 3.58 -1.59 -2.10 116.42 122.47 1jwe h ASP 49 Ca -0.00 -0.82 -0.03 0.00 0.42 0.00 0.00 57.03 56.60 1jwe h ASP 49 Cb 0.46 -0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.47 1jwe h ASP 49 CO 0.03 0.88 0.12 0.58 -2.88 0.00 0.00 179.24 177.97 1jwe h VAL 50 N -0.74 1.21 0.00 2.25 2.07 -0.74 -2.58 116.25 117.72 1jwe h VAL 50 Ca -0.01 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 1jwe h VAL 50 Cb 0.89 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1jwe h VAL 50 CO 0.02 0.23 -0.03 0.00 0.02 0.00 0.00 177.57 177.81 1jwe h ALA 51 N 0.96 1.04 -0.04 1.67 0.00 -0.31 0.32 119.26 122.91 1jwe h ALA 51 Ca 0.12 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1jwe h ALA 51 Cb 0.24 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jwe h ALA 51 CO -0.00 0.04 -0.75 1.49 0.00 0.00 0.00 179.25 180.02 1jwe h GLU 52 N 0.00 0.24 0.16 0.00 4.81 -1.10 -3.35 114.58 115.34 1jwe h GLU 52 Ca -0.00 -0.21 -0.28 0.00 -0.13 0.00 0.00 59.36 58.74 1jwe h GLU 52 Cb 0.34 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1jwe h GLU 52 CO 0.00 0.88 -1.35 0.00 -0.73 0.00 0.00 179.01 177.81 1jwe h ARG 53 N 0.16 0.33 -4.68 1.92 2.47 -0.38 -3.48 114.38 110.72 1jwe h ARG 53 Ca -0.03 -0.56 -0.25 0.00 -1.26 0.00 0.00 59.98 57.87 1jwe h ARG 53 Cb 1.32 0.21 -0.15 0.00 -1.65 0.00 0.00 29.97 29.70 1jwe h ARG 53 CO 0.12 1.27 -0.66 0.14 0.56 0.00 0.00 179.97 181.40 1jwe s VAL 54 N -2.50 0.50 0.35 2.04 -7.23 0.84 -4.75 120.40 109.64 1jwe s VAL 54 Ca -0.16 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.11 1jwe s VAL 54 Cb 0.04 -2.08 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 1jwe s VAL 54 CO 0.82 -0.49 0.03 0.68 -0.31 0.00 0.00 175.10 175.84 1jwe s VAL 55 N -3.78 1.50 0.33 1.32 -7.23 -1.26 -4.14 120.40 107.15 1jwe s VAL 55 Ca 0.23 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.43 1jwe s VAL 55 Cb 0.07 -2.82 0.29 0.00 0.56 0.00 0.00 36.38 34.47 1jwe s VAL 55 CO 0.03 -0.03 1.92 0.00 -0.31 0.00 0.00 175.10 176.71 1jwe h ALA 56 N 2.02 1.63 -0.01 1.32 0.00 -1.94 -1.46 119.26 120.82 1jwe h ALA 56 Ca -0.42 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.48 1jwe h ALA 56 Cb 1.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1jwe h ALA 56 CO 0.73 0.23 0.03 -0.44 0.00 0.00 0.00 179.25 179.79 1jwe h ASP 57 N 0.88 0.00 1.29 0.00 3.32 -1.97 -1.91 116.42 118.02 1jwe h ASP 57 Ca 0.37 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.35 1jwe h ASP 57 Cb 0.29 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.83 1jwe h ASP 57 CO -0.14 0.00 -0.74 0.44 -1.72 0.00 0.00 179.24 177.08 1jwe h ASP 58 N 0.00 0.00 -0.79 6.45 5.19 -1.66 -3.39 116.42 122.22 1jwe h ASP 58 Ca 0.01 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.75 1jwe h ASP 58 Cb 0.06 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.49 1jwe h ASP 58 CO -0.00 0.26 2.21 0.49 -3.12 0.00 0.00 179.24 179.08 1jwe n PHE 59 N -2.96 4.51 -0.35 4.55 3.72 -0.72 -4.65 117.46 121.55 1jwe n PHE 59 Ca -0.01 -2.78 0.24 0.00 -0.05 0.00 0.00 57.45 54.85 1jwe n PHE 59 Cb 0.66 -2.63 0.49 0.00 -0.94 0.00 0.00 39.48 37.06 1jwe n PHE 59 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 1jwe h TYR 60 N 7.58 0.81 -3.23 1.38 3.20 -1.82 -3.36 116.97 121.52 1jwe h TYR 60 Ca 0.45 0.03 -0.57 0.00 3.14 0.00 0.00 58.73 61.78 1jwe h TYR 60 Cb 0.86 -0.22 -0.05 0.00 1.54 0.00 0.00 36.73 38.86 1jwe h TYR 60 CO 1.42 -0.06 1.07 0.99 -1.64 0.00 0.00 178.16 179.94 1jwe s THR 61 N -5.58 3.91 0.16 1.81 2.01 -1.26 -4.94 115.64 111.75 1jwe s THR 61 Ca -0.09 0.95 -0.16 0.00 0.31 0.00 0.00 61.69 62.69 1jwe s THR 61 Cb 0.28 -4.17 0.12 0.00 0.01 0.00 0.00 72.50 68.74 1jwe s THR 61 CO 0.80 -0.70 1.19 0.54 -0.69 0.00 0.00 174.62 175.76 1jwe n ARG 62 N 7.99 -0.23 -0.14 4.92 5.12 -1.26 -0.84 116.66 132.22 1jwe n ARG 62 Ca 0.17 1.18 -0.12 0.00 -1.93 0.00 0.00 57.85 57.14 1jwe n ARG 62 Cb 0.48 -1.74 -0.01 0.00 -1.16 0.00 0.00 32.46 30.02 1jwe n ARG 62 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1jwe h PRO 63 N 0.00 0.93 -0.78 5.56 0.13 -1.91 -0.93 132.00 135.01 1jwe h PRO 63 Ca 0.23 -0.42 0.01 0.00 -0.87 0.00 0.00 66.00 64.94 1jwe h PRO 63 Cb 0.42 -0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.49 1jwe h PRO 63 CO -0.75 1.08 0.52 0.45 -0.23 0.00 0.00 178.00 179.07 1jwe h HIS 64 N 0.77 0.98 -0.13 1.56 3.86 -1.45 -1.54 115.15 119.20 1jwe h HIS 64 Ca 0.09 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 1jwe h HIS 64 Cb 0.82 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1jwe h HIS 64 CO 0.06 0.61 0.06 -0.09 0.86 0.00 0.00 177.93 179.43 1jwe h ARG 65 N 1.05 0.20 -0.20 2.45 2.43 -0.65 -1.90 114.38 117.75 1jwe h ARG 65 Ca 0.29 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.48 1jwe h ARG 65 Cb -0.11 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.33 1jwe h ARG 65 CO -0.06 0.28 -0.38 0.45 -1.51 0.00 0.00 179.97 178.74 1jwe h HIS 66 N 0.07 -1.07 0.12 2.20 3.86 -0.28 0.20 115.15 120.25 1jwe h HIS 66 Ca 0.04 0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1jwe h HIS 66 Cb 0.15 0.50 -0.05 0.00 1.06 0.00 0.00 27.41 29.07 1jwe h HIS 66 CO -0.02 -0.44 -0.45 0.82 0.86 0.00 0.00 177.93 178.70 1jwe h ILE 67 N -0.41 0.11 -0.42 2.45 5.03 -1.29 -1.36 117.51 121.63 1jwe h ILE 67 Ca 0.10 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.84 1jwe h ILE 67 Cb 0.59 0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 34.47 1jwe h ILE 67 CO -0.43 0.00 0.23 0.15 -0.68 0.00 0.00 178.15 177.42 1jwe h PHE 68 N -0.68 0.55 -0.41 1.37 3.57 -0.87 0.67 116.94 121.14 1jwe h PHE 68 Ca 0.02 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1jwe h PHE 68 Cb 0.71 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1jwe h PHE 68 CO -0.39 0.39 0.11 1.15 -2.23 0.00 0.00 178.31 177.34 1jwe h THR 69 N 0.58 1.23 -0.01 4.41 2.02 -0.36 -0.87 112.91 119.91 1jwe h THR 69 Ca 0.15 -0.77 -0.20 0.00 0.77 0.00 0.00 66.41 66.36 1jwe h THR 69 Cb 0.02 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1jwe h THR 69 CO -0.03 0.27 -0.86 -0.08 0.37 0.00 0.00 175.52 175.20 1jwe h GLU 70 N 0.52 0.25 0.09 6.66 4.57 -0.11 -0.36 114.58 126.20 1jwe h GLU 70 Ca 0.13 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1jwe h GLU 70 Cb 0.30 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1jwe h GLU 70 CO -0.00 0.96 -0.07 0.52 -1.18 0.00 0.00 179.01 179.25 1jwe h MET 71 N 0.14 -0.15 -0.46 1.92 2.86 -0.85 0.72 114.93 119.11 1jwe h MET 71 Ca -0.05 0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 1jwe h MET 71 Cb 1.47 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 33.14 1jwe h MET 71 CO 0.13 -0.10 0.28 0.00 1.06 0.00 0.00 176.91 178.28 1jwe h ALA 72 N 0.75 0.59 -0.96 6.32 0.00 -1.05 0.38 119.26 125.29 1jwe h ALA 72 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jwe h ALA 72 Cb 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1jwe h ALA 72 CO -0.00 -0.02 0.64 0.00 0.00 0.00 0.00 179.25 179.86 1jwe h ARG 73 N 0.57 1.26 -0.03 0.00 3.08 -0.88 -0.59 114.38 117.80 1jwe h ARG 73 Ca 0.18 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.15 1jwe h ARG 73 Cb -0.01 -0.29 -0.00 0.00 0.08 0.00 0.00 29.97 29.76 1jwe h ARG 73 CO -0.07 0.84 0.00 -0.07 -1.07 0.00 0.00 179.97 179.60 1jwe h LEU 74 N 1.30 0.06 -1.22 3.04 3.38 -0.28 -2.56 115.31 119.03 1jwe h LEU 74 Ca 0.35 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jwe h LEU 74 Cb -0.15 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1jwe h LEU 74 CO -0.08 0.32 0.54 -0.61 0.09 0.00 0.00 178.44 178.70 1jwe h GLN 75 N -0.21 1.02 -0.94 1.13 5.75 -0.75 0.18 115.11 121.28 1jwe h GLN 75 Ca 0.01 -0.06 0.04 0.00 -0.15 0.00 0.00 58.65 58.49 1jwe h GLN 75 Cb 0.29 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.56 1jwe h GLN 75 CO 0.00 0.67 0.61 1.49 -2.65 0.00 0.00 178.83 178.95 1jwe h GLU 76 N 1.05 1.13 -0.25 1.69 4.57 -1.05 0.40 114.58 122.11 1jwe h GLU 76 Ca 0.31 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1jwe h GLU 76 Cb -0.04 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.30 1jwe h GLU 76 CO -0.08 0.75 0.00 0.43 -1.18 0.00 0.00 179.01 178.93 1jwe n SER 77 N -4.50 0.91 -1.04 1.04 7.64 -0.07 -4.87 113.62 112.73 1jwe n SER 77 Ca 0.13 -2.03 -0.14 0.00 1.01 0.00 0.00 58.87 57.85 1jwe n SER 77 Cb 0.11 -0.16 -0.06 0.00 -1.01 0.00 0.00 64.21 63.09 1jwe n SER 77 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jwe n GLY 78 N 0.63 1.42 3.90 0.23 0.00 0.13 -4.98 105.19 106.52 1jwe n GLY 78 Ca 0.05 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.83 6.49 1.03 1.61 0.01 0.44 -4.95 113.70 115.50 1jwe s SER 79 Ca 0.00 0.59 -0.12 0.00 1.31 0.00 0.00 55.95 57.73 1jwe s SER 79 Cb 0.00 -2.09 0.16 0.00 0.21 0.00 0.00 66.02 64.30 1jwe s SER 79 CO 0.00 0.04 0.81 -2.65 0.41 0.00 0.00 173.24 171.85 1jwe n PRO 80 N 0.05 -1.16 -0.22 12.44 -0.02 -1.26 -3.62 135.00 141.20 1jwe n PRO 80 Ca -0.02 -0.30 0.09 0.00 -2.02 0.00 0.00 63.50 61.25 1jwe n PRO 80 Cb 0.52 -2.12 0.15 0.00 -0.02 0.00 0.00 33.50 32.03 1jwe n PRO 80 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1jwe n ILE 81 N -4.36 1.86 -0.96 4.25 -5.35 -1.26 -4.68 119.36 108.87 1jwe n ILE 81 Ca 0.07 -2.38 -0.29 0.00 -0.27 0.00 0.00 62.75 59.88 1jwe n ILE 81 Cb 0.54 -0.20 0.20 0.00 -1.74 0.00 0.00 39.64 38.44 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 -2.88 2.13 0.06 7.28 -1.08 -1.26 -4.18 116.67 116.75 1jwe s ASP 82 Ca 0.32 1.34 -0.23 0.00 -0.52 0.00 0.00 52.55 53.45 1jwe s ASP 82 Cb 0.29 -2.04 -0.11 0.00 -1.46 0.00 0.00 42.92 39.61 1jwe s ASP 82 CO 0.00 -3.46 1.37 0.25 0.52 0.00 0.00 175.17 173.86 1jwe h LEU 83 N -2.11 -0.99 -0.91 -1.34 7.12 -1.97 0.38 115.31 115.48 1jwe h LEU 83 Ca -0.56 0.09 -0.06 0.00 0.13 0.00 0.00 57.88 57.48 1jwe h LEU 83 Cb 1.33 0.35 -0.03 0.00 -0.53 0.00 0.00 40.66 41.77 1jwe h LEU 83 CO 0.55 -0.41 0.15 0.40 -0.13 0.00 0.00 178.44 178.99 1jwe h ILE 84 N -0.59 1.24 -0.22 4.05 5.03 -1.98 0.24 117.51 125.28 1jwe h ILE 84 Ca -0.02 -0.88 0.00 0.00 -0.12 0.00 0.00 64.86 63.84 1jwe h ILE 84 Cb 0.55 0.62 -0.01 0.00 -3.03 0.00 0.00 36.82 34.94 1jwe h ILE 84 CO -0.11 0.33 0.14 0.74 -0.68 0.00 0.00 178.15 178.57 1jwe h THR 85 N 0.91 1.05 -0.07 -0.27 2.02 -1.82 0.14 112.91 114.87 1jwe h THR 85 Ca 0.20 -0.10 -0.00 0.00 0.77 0.00 0.00 66.41 67.27 1jwe h THR 85 Cb 0.32 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1jwe h THR 85 CO -0.00 0.05 0.03 0.25 0.37 0.00 0.00 175.52 176.22 1jwe h LEU 86 N 0.29 0.09 -0.34 2.58 5.85 -0.64 -0.97 115.31 122.17 1jwe h LEU 86 Ca 0.08 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1jwe h LEU 86 Cb -0.02 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1jwe h LEU 86 CO -0.03 0.21 0.20 0.00 -0.34 0.00 0.00 178.44 178.49 1jwe h ALA 87 N 0.88 0.42 -0.43 1.25 0.00 -0.72 0.29 119.26 120.95 1jwe h ALA 87 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1jwe h ALA 87 Cb 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1jwe h ALA 87 CO -0.00 -0.15 0.20 0.93 0.00 0.00 0.00 179.25 180.23 1jwe h GLU 88 N 0.42 0.39 -0.64 0.00 4.39 -0.67 -0.72 114.58 117.74 1jwe h GLU 88 Ca 0.13 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.77 1jwe h GLU 88 Cb -0.01 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.52 1jwe h GLU 88 CO -0.05 0.26 0.27 1.03 -1.16 0.00 0.00 179.01 179.35 1jwe h SER 89 N 0.40 0.87 -0.56 1.42 0.87 -0.51 0.31 113.55 116.35 1jwe h SER 89 Ca 0.19 -0.16 -0.10 0.00 -1.23 0.00 0.00 61.79 60.49 1jwe h SER 89 Cb 0.12 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1jwe h SER 89 CO -0.15 0.79 -0.05 -0.07 -0.53 0.00 0.00 176.83 176.83 1jwe h LEU 90 N 0.89 1.01 -1.06 2.23 3.38 -0.67 -0.35 115.31 120.75 1jwe h LEU 90 Ca 0.21 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 1jwe h LEU 90 Cb 0.19 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1jwe h LEU 90 CO -0.02 1.09 -0.18 1.05 0.09 0.00 0.00 178.44 180.47 1jwe h GLU 91 N 0.90 0.45 -0.63 1.13 4.11 -0.78 0.11 114.58 119.87 1jwe h GLU 91 Ca 0.15 -0.15 -0.03 0.00 0.07 0.00 0.00 59.36 59.41 1jwe h GLU 91 Cb 0.60 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1jwe h GLU 91 CO 0.04 0.62 0.29 0.00 0.07 0.00 0.00 179.01 180.03 1jwe h ARG 92 N 0.41 0.90 0.00 1.06 3.08 -0.44 -0.22 114.38 119.18 1jwe h ARG 92 Ca 0.07 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jwe h ARG 92 Cb 0.56 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1jwe h ARG 92 CO 0.04 0.71 0.00 1.04 -1.07 0.00 0.00 179.97 180.69 1jwe n GLN 93 N -4.34 0.22 -3.28 0.04 1.13 -0.19 -4.91 117.38 106.05 1jwe n GLN 93 Ca 0.06 0.34 -0.20 0.00 -1.94 0.00 0.00 57.00 55.26 1jwe n GLN 93 Cb 0.14 -1.84 0.06 0.00 0.11 0.00 0.00 30.24 28.71 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 0.50 -0.29 0.00 1.08 0.00 -0.09 -4.93 105.19 101.46 1jwe n GLY 94 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -4.04 1.95 -0.03 1.61 6.02 0.28 -4.83 117.38 118.34 1jwe n GLN 95 Ca -0.02 -1.16 -0.11 0.00 -0.01 0.00 0.00 57.00 55.70 1jwe n GLN 95 Cb 0.56 -0.83 -0.06 0.00 1.02 0.00 0.00 30.24 30.93 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 0.19 -1.51 1.08 5.85 -1.82 -2.21 115.31 116.88 1jwe h LEU 96 Ca 0.00 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.50 1jwe h LEU 96 Cb 0.68 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1jwe h LEU 96 CO 0.00 0.36 0.29 0.44 -0.34 0.00 0.00 178.44 179.18 1jwe h ASP 97 N 0.01 0.54 0.33 1.25 3.32 -1.90 0.31 116.42 120.28 1jwe h ASP 97 Ca 0.04 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jwe h ASP 97 Cb 0.24 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1jwe h ASP 97 CO -0.00 0.40 0.00 -1.20 -1.72 0.00 0.00 179.24 176.72 1jwe n SER 98 N -4.45 0.11 -0.01 6.45 7.64 -0.85 -1.09 113.62 121.43 1jwe n SER 98 Ca 0.04 0.54 0.11 0.00 1.01 0.00 0.00 58.87 60.56 1jwe n SER 98 Cb 0.07 -0.56 -0.15 0.00 -1.01 0.00 0.00 64.21 62.56 1jwe n SER 98 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1jwe n VAL 99 N -1.64 0.00 0.00 0.44 0.24 -0.78 -4.73 118.33 111.87 1jwe n VAL 99 Ca 0.02 -0.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.95 1jwe n VAL 99 Cb 0.11 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.74 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 1.34 1.43 0.00 7.63 0.00 -0.25 -4.82 105.19 110.52 1jwe n GLY 100 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.23 0.38 -0.02 0.00 0.03 -3.78 105.19 101.56 1jwe n GLY 101 Ca 0.00 -1.85 0.16 0.00 0.00 0.00 0.00 46.02 44.33 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 0.44 -0.64 1.61 3.04 -1.96 -2.12 116.94 117.32 1jwe h PHE 102 Ca 0.00 0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.09 1jwe h PHE 102 Cb 0.00 -0.14 -0.09 0.00 2.56 0.00 0.00 35.95 38.28 1jwe h PHE 102 CO 0.00 0.17 0.15 0.00 -2.02 0.00 0.00 178.31 176.60 1jwe h ALA 103 N 1.65 0.77 -0.13 2.41 0.00 -1.97 -0.46 119.26 121.55 1jwe h ALA 103 Ca 0.36 0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 1jwe h ALA 103 Cb 0.86 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1jwe h ALA 103 CO -0.11 -0.30 -0.17 -0.92 0.00 0.00 0.00 179.25 177.74 1jwe h TYR 104 N 0.27 0.22 -0.13 0.00 3.20 -1.47 0.69 116.97 119.74 1jwe h TYR 104 Ca 0.34 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 62.09 1jwe h TYR 104 Cb 0.52 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1jwe h TYR 104 CO -0.25 0.38 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.30 1jwe h LEU 105 N 0.19 0.47 -0.51 2.82 3.38 -1.26 0.01 115.31 120.42 1jwe h LEU 105 Ca 0.04 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.50 1jwe h LEU 105 Cb 0.43 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.99 1jwe h LEU 105 CO 0.03 0.95 0.22 0.00 0.09 0.00 0.00 178.44 179.72 1jwe h ALA 106 N 0.53 0.64 -0.13 1.53 0.00 -0.62 -0.17 119.26 121.05 1jwe h ALA 106 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jwe h ALA 106 Cb 0.87 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jwe h ALA 106 CO 0.06 -0.16 0.07 1.49 0.00 0.00 0.00 179.25 180.71 1jwe h GLU 107 N 0.43 0.18 -0.11 0.00 4.57 -0.81 -0.34 114.58 118.49 1jwe h GLU 107 Ca 0.24 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.42 1jwe h GLU 107 Cb 0.21 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1jwe h GLU 107 CO -0.21 0.23 -0.09 -0.07 -1.18 0.00 0.00 179.01 177.69 1jwe h LEU 108 N 0.10 -0.27 -0.62 1.64 3.38 -0.65 0.53 115.31 119.42 1jwe h LEU 108 Ca 0.05 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1jwe h LEU 108 Cb 0.10 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1jwe h LEU 108 CO -0.01 -0.12 0.41 -1.28 0.09 0.00 0.00 178.44 177.53 1jwe h SER 109 N -0.10 0.70 0.72 -0.43 0.87 -0.88 -0.95 113.55 113.47 1jwe h SER 109 Ca 0.07 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1jwe h SER 109 Cb 0.20 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 1jwe h SER 109 CO -0.17 0.50 0.00 0.29 -0.53 0.00 0.00 176.83 176.92 1jwe n LYS 110 N -4.66 0.12 -0.24 2.24 5.02 -0.15 -1.86 118.16 118.63 1jwe n LYS 110 Ca 0.05 0.32 0.04 0.00 -2.02 0.00 0.00 58.31 56.71 1jwe n LYS 110 Cb 0.02 -1.72 0.15 0.00 -0.02 0.00 0.00 35.03 33.47 1jwe n LYS 110 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jwe n ASN 111 N -1.94 2.17 -4.66 4.39 2.85 0.14 -4.82 115.26 113.40 1jwe n ASN 111 Ca 0.03 -2.13 -0.43 0.00 -0.11 0.00 0.00 54.58 51.94 1jwe n ASN 111 Cb 0.23 -0.34 -0.02 0.00 1.24 0.00 0.00 39.78 40.89 1jwe n ASN 111 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1jwe s THR 112 N -1.63 4.46 -0.09 -0.44 2.01 -0.78 -3.97 115.64 115.21 1jwe s THR 112 Ca 0.22 1.76 -0.05 0.00 0.31 0.00 0.00 61.69 63.93 1jwe s THR 112 Cb 0.13 -4.17 -0.20 0.00 0.01 0.00 0.00 72.50 68.28 1jwe s THR 112 CO 0.12 -0.19 3.43 -0.81 -0.69 0.00 0.00 174.62 176.48 1jwe n PRO 113 N 6.53 2.06 -2.17 4.92 -0.04 -1.26 -4.64 135.00 140.40 1jwe n PRO 113 Ca 0.13 -1.24 -0.09 0.00 -0.04 0.00 0.00 63.50 62.27 1jwe n PRO 113 Cb 0.46 -2.01 -0.01 0.00 -0.04 0.00 0.00 33.50 31.90 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 2.17 -2.91 -1.70 3.54 7.64 -1.26 -1.61 113.62 119.49 1jwe n SER 114 Ca 0.43 0.27 -0.14 0.00 1.01 0.00 0.00 58.87 60.44 1jwe n SER 114 Cb 0.84 -2.59 -0.04 0.00 -1.01 0.00 0.00 64.21 61.41 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 -1.75 -0.37 0.09 -0.43 0.00 -1.26 -4.85 120.51 111.94 1jwe n ALA 115 Ca -0.10 0.19 0.20 0.00 0.00 0.00 0.00 53.44 53.73 1jwe n ALA 115 Cb 0.51 -1.50 0.75 0.00 0.00 0.00 0.00 19.45 19.22 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 0.78 2.13 -0.69 0.00 0.00 -1.71 -1.79 119.26 117.98 1jwe h ALA 116 Ca -0.30 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.28 1jwe h ALA 116 Cb 1.00 0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.55 1jwe h ALA 116 CO 0.41 -0.58 -0.78 -1.71 0.00 0.00 0.00 179.25 176.59 1jwe n ASN 117 N -3.87 -0.56 -0.21 0.00 2.85 -1.26 -4.99 115.26 107.21 1jwe n ASN 117 Ca 0.07 -2.95 -0.05 0.00 -0.11 0.00 0.00 54.58 51.54 1jwe n ASN 117 Cb 0.56 0.49 0.05 0.00 1.24 0.00 0.00 39.78 42.12 1jwe n ASN 117 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1jwe h ILE 118 N 2.28 1.10 -0.65 -1.44 2.10 -1.71 -2.12 117.51 117.07 1jwe h ILE 118 Ca -0.11 -0.26 0.14 0.00 1.08 0.00 0.00 64.86 65.71 1jwe h ILE 118 Cb 1.15 0.27 -0.11 0.00 -1.09 0.00 0.00 36.82 37.03 1jwe h ILE 118 CO 0.25 0.14 -0.05 -1.28 -1.08 0.00 0.00 178.15 176.13 1jwe h SER 119 N 0.77 -0.40 0.19 2.19 0.87 -1.94 0.18 113.55 115.40 1jwe h SER 119 Ca 0.24 0.17 -0.11 0.00 -1.23 0.00 0.00 61.79 60.86 1jwe h SER 119 Cb -0.01 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1jwe h SER 119 CO -0.09 -0.16 -0.42 0.00 -0.53 0.00 0.00 176.83 175.64 1jwe h ALA 120 N 1.61 1.05 -0.30 6.23 0.00 -1.83 0.30 119.26 126.32 1jwe h ALA 120 Ca 0.33 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.67 1jwe h ALA 120 Cb 0.54 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jwe h ALA 120 CO -0.60 0.61 -0.41 1.88 0.00 0.00 0.00 179.25 180.73 1jwe h TYR 121 N 0.25 0.99 -0.92 0.00 0.05 -0.59 -2.02 116.97 114.74 1jwe h TYR 121 Ca 0.02 -0.32 -0.00 0.00 0.05 0.00 0.00 58.73 58.47 1jwe h TYR 121 Cb 0.84 -0.20 -0.04 0.00 1.01 0.00 0.00 36.73 38.34 1jwe h TYR 121 CO 0.02 1.12 0.56 0.00 -1.05 0.00 0.00 178.16 178.81 1jwe h ALA 122 N 0.70 1.17 -0.86 3.88 0.00 -0.25 -0.10 119.26 123.79 1jwe h ALA 122 Ca 0.04 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jwe h ALA 122 Cb 1.00 -0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1jwe h ALA 122 CO 0.10 0.62 0.55 -0.44 0.00 0.00 0.00 179.25 180.07 1jwe h ASP 123 N 1.26 0.89 -0.22 0.00 3.32 -0.90 -0.65 116.42 120.12 1jwe h ASP 123 Ca 0.33 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1jwe h ASP 123 Cb -0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 1jwe h ASP 123 CO -0.06 0.60 0.07 0.40 -1.72 0.00 0.00 179.24 178.52 1jwe h ILE 124 N 1.04 1.19 -0.27 0.35 2.04 -0.50 0.15 117.51 121.52 1jwe h ILE 124 Ca 0.36 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.63 1jwe h ILE 124 Cb 0.07 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1jwe h ILE 124 CO -0.14 0.20 0.09 0.58 0.00 0.00 0.00 178.15 178.88 1jwe h VAL 125 N 0.18 0.93 -0.82 1.67 2.07 -0.63 -0.96 116.25 118.68 1jwe h VAL 125 Ca 0.07 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1jwe h VAL 125 Cb 0.24 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 1jwe h VAL 125 CO -0.00 0.04 0.43 -0.09 0.02 0.00 0.00 177.57 177.97 1jwe h ARG 126 N 0.21 1.15 -0.05 1.57 9.65 -1.04 -0.91 114.38 124.97 1jwe h ARG 126 Ca 0.12 -0.14 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 1jwe h ARG 126 Cb 0.08 -0.22 -0.04 0.00 -1.39 0.00 0.00 29.97 28.41 1jwe h ARG 126 CO -0.12 0.86 -0.15 1.49 2.80 0.00 0.00 179.97 184.85 1jwe h GLU 127 N 1.16 -0.21 0.00 0.20 4.57 0.06 0.62 114.58 120.98 1jwe h GLU 127 Ca 0.29 0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1jwe h GLU 127 Cb 0.06 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.69 1jwe h GLU 127 CO -0.04 -0.14 -0.29 0.00 -1.18 0.00 0.00 179.01 177.36 1jwe h ARG 128 N -0.22 0.00 -0.28 1.92 2.47 -0.81 0.02 114.38 117.48 1jwe h ARG 128 Ca 0.07 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1jwe h ARG 128 Cb 0.31 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 1jwe h ARG 128 CO -0.18 0.29 -0.01 0.00 0.56 0.00 0.00 179.97 180.62 1jwe h ALA 129 N 1.71 0.38 -0.77 0.04 0.00 -0.16 0.29 119.26 120.75 1jwe h ALA 129 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 1jwe h ALA 129 Cb 0.53 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jwe h ALA 129 CO 0.04 0.13 0.28 0.28 0.00 0.00 0.00 179.25 179.98 1jwe h VAL 130 N 0.28 1.26 -0.29 0.00 2.07 -0.33 -0.65 116.25 118.60 1jwe h VAL 130 Ca 0.08 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.70 1jwe h VAL 130 Cb 0.45 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1jwe h VAL 130 CO 0.02 0.34 0.00 0.58 0.02 0.00 0.00 177.57 178.53 1jwe h VAL 131 N 1.13 1.17 -0.39 2.57 2.07 -0.88 -1.22 116.25 120.70 1jwe h VAL 131 Ca 0.25 -0.68 -0.10 0.00 0.82 0.00 0.00 66.70 67.00 1jwe h VAL 131 Cb 0.25 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1jwe h VAL 131 CO -0.02 0.23 -0.15 -0.09 0.02 0.00 0.00 177.57 177.57 1jwe h ARG 132 N 0.42 0.72 -0.70 1.57 9.65 0.09 -2.90 114.38 123.24 1jwe h ARG 132 Ca 0.09 -0.25 -0.06 0.00 -1.10 0.00 0.00 59.98 58.66 1jwe h ARG 132 Cb 0.28 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.77 1jwe h ARG 132 CO 0.01 0.83 0.18 1.05 2.80 0.00 0.00 179.97 184.84 1jwe h GLU 133 N 0.65 1.11 -1.97 0.20 4.11 -0.05 -3.02 114.58 115.61 1jwe h GLU 133 Ca 0.11 -0.26 0.00 0.00 0.07 0.00 0.00 59.36 59.28 1jwe h GLU 133 Cb 0.62 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1jwe h GLU 133 CO 0.04 0.97 0.00 -1.33 0.07 0.00 0.00 179.01 178.76 1jwe n MET 134 N -4.27 0.84 -4.47 1.06 2.81 -0.60 -4.76 117.12 107.73 1jwe n MET 134 Ca 0.05 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.60 1jwe n MET 134 Cb 0.25 -1.08 -0.11 0.00 -0.71 0.00 0.00 33.22 31.57 1jwe n MET 134 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 1jwe s ILE 135 N 0.32 4.00 0.00 2.02 1.01 -1.14 -5.00 121.20 122.41 1jwe s ILE 135 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.30 1jwe s ILE 135 Cb 0.00 -2.68 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1jwe s ILE 135 CO 0.00 0.58 0.00 -0.24 0.00 0.00 0.00 174.94 175.28