#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 1.51 0.08 2.12 0.00 -1.26 -5.11 119.74 117.08 1jwe s LYS 24 Ca 0.00 -1.85 -0.31 0.00 0.00 0.00 0.00 55.97 53.82 1jwe s LYS 24 Cb 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 37.83 37.71 1jwe s LYS 24 CO 0.00 -0.43 1.76 0.54 0.00 0.00 0.00 175.35 177.22 1jwe s VAL 25 N -3.71 2.87 0.69 1.79 0.11 -1.26 -4.93 120.40 115.95 1jwe s VAL 25 Ca 0.37 0.28 -0.14 0.00 -2.93 0.00 0.00 61.98 59.55 1jwe s VAL 25 Cb 0.06 -3.18 0.02 0.00 -1.53 0.00 0.00 36.38 31.74 1jwe s VAL 25 CO 0.17 -0.00 1.11 -2.16 -3.33 0.00 0.00 175.10 170.89 1jwe s PRO 26 N 2.96 2.63 -0.35 1.54 0.04 -1.26 -4.89 135.00 135.66 1jwe s PRO 26 Ca 0.78 1.37 -0.28 0.00 0.04 0.00 0.00 61.00 62.91 1jwe s PRO 26 Cb -0.42 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1jwe s PRO 26 CO 0.35 -1.38 1.70 -1.25 0.04 0.00 0.00 177.00 176.46 1jwe s PRO 27 N -4.25 3.39 -0.17 0.56 0.04 -1.26 -4.93 135.00 128.38 1jwe s PRO 27 Ca 0.66 1.30 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 1jwe s PRO 27 Cb -0.20 -4.16 0.05 0.00 0.04 0.00 0.00 34.50 30.23 1jwe s PRO 27 CO 0.45 -1.79 0.53 -3.38 0.04 0.00 0.00 177.00 172.85 1jwe s HIS 28 N 6.55 -0.56 -0.69 0.56 -3.43 -1.26 -4.94 115.29 111.51 1jwe s HIS 28 Ca 0.75 1.30 0.04 0.00 -0.80 0.00 0.00 55.06 56.35 1jwe s HIS 28 Cb -0.20 0.21 0.24 0.00 -1.43 0.00 0.00 32.58 31.40 1jwe s HIS 28 CO 0.33 -0.33 0.93 0.43 -2.00 0.00 0.00 174.74 174.10 1jwe n SER 29 N 2.46 2.53 -0.20 7.38 7.64 -1.26 -4.73 113.62 127.44 1jwe n SER 29 Ca -0.15 -2.31 -0.02 0.00 1.01 0.00 0.00 58.87 57.41 1jwe n SER 29 Cb 0.56 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.16 -0.29 -0.06 0.44 5.41 -1.26 -0.61 119.36 123.16 1jwe n ILE 30 Ca 0.10 1.21 -0.05 0.00 1.00 0.00 0.00 62.75 65.00 1jwe n ILE 30 Cb 0.58 -1.58 0.15 0.00 -0.71 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 0.68 -0.12 0.38 5.08 -2.00 0.20 114.58 118.80 1jwe h GLU 31 Ca 0.16 -0.24 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1jwe h GLU 31 Cb 0.28 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1jwe h GLU 31 CO -0.50 0.81 -0.23 0.00 -1.00 0.00 0.00 179.01 178.08 1jwe h ALA 32 N 1.21 0.19 -0.71 3.43 0.00 -1.21 -3.22 119.26 118.96 1jwe h ALA 32 Ca 0.10 -0.38 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1jwe h ALA 32 Cb 0.62 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 1jwe h ALA 32 CO 0.04 0.15 0.25 0.93 0.00 0.00 0.00 179.25 180.63 1jwe h GLU 33 N -0.06 0.39 0.09 0.00 5.08 -0.24 -0.59 114.58 119.25 1jwe h GLU 33 Ca 0.00 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1jwe h GLU 33 Cb 0.81 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1jwe h GLU 33 CO 0.05 0.26 -0.22 1.96 -1.00 0.00 0.00 179.01 180.06 1jwe h GLN 34 N 0.40 -0.38 0.00 2.33 4.20 -0.71 -1.12 115.11 119.83 1jwe h GLN 34 Ca 0.38 0.03 -0.03 0.00 0.06 0.00 0.00 58.65 59.08 1jwe h GLN 34 Cb 0.57 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1jwe h GLN 34 CO -0.40 -0.25 -0.16 0.77 -0.67 0.00 0.00 178.83 178.12 1jwe h SER 35 N -0.40 0.00 0.19 1.46 0.02 -1.32 0.04 113.55 113.55 1jwe h SER 35 Ca 0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 1jwe h SER 35 Cb 0.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1jwe h SER 35 CO -0.14 0.16 -0.09 0.58 -1.14 0.00 0.00 176.83 176.20 1jwe h VAL 36 N 0.00 0.90 -0.59 2.27 2.07 -0.66 -1.66 116.25 118.57 1jwe h VAL 36 Ca -0.00 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.52 1jwe h VAL 36 Cb 0.34 1.40 -0.02 0.00 -1.52 0.00 0.00 31.29 31.49 1jwe h VAL 36 CO 0.02 0.19 0.02 -0.07 0.02 0.00 0.00 177.57 177.75 1jwe h LEU 37 N -0.73 1.01 -0.16 2.57 3.38 -0.78 0.83 115.31 121.43 1jwe h LEU 37 Ca -0.03 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 57.67 1jwe h LEU 37 Cb 0.50 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1jwe h LEU 37 CO 0.04 1.06 0.00 1.23 0.09 0.00 0.00 178.44 180.87 1jwe h GLY 38 N 0.93 0.16 2.00 0.83 0.00 -1.13 -2.97 103.07 102.89 1jwe h GLY 38 Ca 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.49 1jwe h GLY 38 CO 0.03 -0.03 -0.13 -1.33 0.00 0.00 0.00 176.54 175.08 1jwe h GLY 39 N 0.06 0.00 2.00 4.60 0.00 -0.26 -1.88 103.07 107.59 1jwe h GLY 39 Ca 0.08 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 1jwe h GLY 39 CO -0.13 0.00 -0.33 1.41 0.00 0.00 0.00 176.54 177.49 1jwe h LEU 40 N 0.00 0.00 -0.22 3.11 3.38 -0.72 0.18 115.31 121.05 1jwe h LEU 40 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1jwe h LEU 40 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.00 1jwe h LEU 40 CO 0.02 0.33 -0.80 0.24 0.09 0.00 0.00 178.44 178.32 1jwe h MET 41 N 0.00 0.65 0.00 1.13 2.86 -1.32 -3.32 114.93 114.93 1jwe h MET 41 Ca -0.00 -0.56 -0.08 0.00 -2.06 0.00 0.00 59.70 57.00 1jwe h MET 41 Cb 0.75 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.52 1jwe h MET 41 CO 0.04 1.17 -0.40 1.25 1.06 0.00 0.00 176.91 180.04 1jwe h LEU 42 N 0.44 0.00 -6.60 1.22 6.46 -0.77 -3.41 115.31 112.65 1jwe h LEU 42 Ca -0.05 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.55 1jwe h LEU 42 Cb 1.41 0.00 -0.30 0.00 -0.73 0.00 0.00 40.66 41.04 1jwe h LEU 42 CO 0.15 0.40 -0.48 -0.62 -0.62 0.00 0.00 178.44 177.27 1jwe s ASP 43 N -6.39 0.27 0.07 1.25 -1.08 0.55 -4.85 116.67 106.49 1jwe s ASP 43 Ca 0.03 0.31 0.24 0.00 -0.52 0.00 0.00 52.55 52.60 1jwe s ASP 43 Cb 0.09 1.07 0.24 0.00 -1.46 0.00 0.00 42.92 42.85 1jwe s ASP 43 CO 0.71 -0.29 1.21 0.59 0.52 0.00 0.00 175.17 177.90 1jwe n ASN 44 N 5.36 0.64 0.07 -0.34 5.03 -1.25 -3.86 115.26 120.91 1jwe n ASN 44 Ca -0.04 -0.08 0.03 0.00 0.87 0.00 0.00 54.58 55.36 1jwe n ASN 44 Cb 0.50 0.45 -0.04 0.00 -1.02 0.00 0.00 39.78 39.67 1jwe n ASN 44 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1jwe h GLU 45 N 0.00 0.00 0.00 3.52 4.39 -1.96 -3.19 114.58 117.33 1jwe h GLU 45 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jwe h GLU 45 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1jwe h GLU 45 CO 0.00 0.24 0.00 0.54 -1.16 0.00 0.00 179.01 178.63 1jwe n ARG 46 N -2.89 0.66 -0.25 2.33 1.74 -1.25 -2.87 116.66 114.12 1jwe n ARG 46 Ca -0.05 0.00 0.06 0.00 -0.77 0.00 0.00 57.85 57.09 1jwe n ARG 46 Cb 0.75 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.88 1jwe n ARG 46 CO 0.00 0.00 0.00 2.35 -1.52 0.00 0.00 177.63 178.46 1jwe h TRP 47 N 0.00 0.23 -0.09 -1.55 2.91 -1.74 -0.21 115.95 115.50 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 0.01 0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 1jwe h TRP 47 CO 0.00 -0.13 -0.26 -0.44 -1.03 0.00 0.00 178.44 176.58 1jwe h ASP 48 N 0.23 0.15 0.02 2.65 5.19 -1.81 0.48 116.42 123.33 1jwe h ASP 48 Ca 0.43 -0.04 -0.04 0.00 -0.62 0.00 0.00 57.03 56.75 1jwe h ASP 48 Cb 0.75 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1jwe h ASP 48 CO -0.55 0.42 -0.18 -0.78 -3.12 0.00 0.00 179.24 175.03 1jwe h ASP 49 N 0.14 0.13 -0.56 6.45 3.58 -1.57 -2.75 116.42 121.84 1jwe h ASP 49 Ca 0.02 -0.87 -0.05 0.00 0.42 0.00 0.00 57.03 56.56 1jwe h ASP 49 Cb 0.54 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 1jwe h ASP 49 CO 0.04 0.98 0.16 0.58 -2.88 0.00 0.00 179.24 178.12 1jwe h VAL 50 N -0.71 1.24 0.00 2.25 2.07 -0.99 -0.34 116.25 119.77 1jwe h VAL 50 Ca -0.03 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1jwe h VAL 50 Cb 1.03 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1jwe h VAL 50 CO 0.03 0.31 0.00 0.00 0.02 0.00 0.00 177.57 177.94 1jwe h ALA 51 N 1.03 1.00 0.00 1.67 0.00 -0.11 0.24 119.26 123.09 1jwe h ALA 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1jwe h ALA 51 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1jwe h ALA 51 CO -0.00 0.00 -0.80 0.39 0.00 0.00 0.00 179.25 178.84 1jwe n GLU 52 N -2.73 0.05 0.08 0.00 -0.58 -0.86 -4.10 120.64 112.51 1jwe n GLU 52 Ca -0.00 -0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.52 1jwe n GLU 52 Cb 0.19 -1.51 -0.15 0.00 -0.57 0.00 0.00 31.44 29.40 1jwe n GLU 52 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jwe h ARG 53 N 0.00 0.37 -3.98 3.49 2.47 0.88 -3.50 114.38 114.12 1jwe h ARG 53 Ca 0.00 -0.63 -0.12 0.00 -1.26 0.00 0.00 59.98 57.97 1jwe h ARG 53 Cb 0.54 0.24 -0.12 0.00 -1.65 0.00 0.00 29.97 28.97 1jwe h ARG 53 CO 0.00 1.27 -0.34 0.14 0.56 0.00 0.00 179.97 181.60 1jwe s VAL 54 N -2.60 0.05 0.38 2.04 -7.23 0.59 -4.65 120.40 108.98 1jwe s VAL 54 Ca -0.12 -1.51 0.04 0.00 -1.81 0.00 0.00 61.98 58.57 1jwe s VAL 54 Cb 0.06 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1jwe s VAL 54 CO 0.87 -0.21 0.07 0.68 -0.31 0.00 0.00 175.10 176.20 1jwe s VAL 55 N -4.01 1.07 0.24 1.32 -7.23 -1.26 -4.27 120.40 106.26 1jwe s VAL 55 Ca 0.22 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1jwe s VAL 55 Cb 0.03 -2.60 0.23 0.00 0.56 0.00 0.00 36.38 34.60 1jwe s VAL 55 CO 0.04 0.00 1.69 0.00 -0.31 0.00 0.00 175.10 176.52 1jwe h ALA 56 N 1.90 0.98 0.00 1.32 0.00 -1.92 -1.75 119.26 119.78 1jwe h ALA 56 Ca -0.40 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1jwe h ALA 56 Cb 1.26 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1jwe h ALA 56 CO 0.67 -0.32 0.00 -0.44 0.00 0.00 0.00 179.25 179.16 1jwe h ASP 57 N 0.30 0.00 0.76 0.00 3.32 -1.97 -2.33 116.42 116.50 1jwe h ASP 57 Ca 0.42 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.35 1jwe h ASP 57 Cb 0.70 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.23 1jwe h ASP 57 CO -0.49 0.00 -0.56 0.44 -1.72 0.00 0.00 179.24 176.91 1jwe h ASP 58 N 0.00 0.00 -3.13 6.45 3.32 -1.66 -3.42 116.42 117.97 1jwe h ASP 58 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 1jwe h ASP 58 Cb 0.31 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1jwe h ASP 58 CO 0.00 0.56 0.64 -0.36 -1.72 0.00 0.00 179.24 178.36 1jwe s PHE 59 N -3.51 3.29 -0.14 4.55 0.40 -0.88 -4.64 117.98 117.05 1jwe s PHE 59 Ca -0.00 1.24 -0.28 0.00 -0.60 0.00 0.00 56.93 57.28 1jwe s PHE 59 Cb 0.12 -3.43 -0.26 0.00 0.51 0.00 0.00 43.02 39.96 1jwe s PHE 59 CO 0.74 -1.35 0.73 -0.92 0.70 0.00 0.00 175.22 175.13 1jwe h TYR 60 N 7.17 0.04 -4.19 0.36 3.20 -1.86 -3.41 116.97 118.28 1jwe h TYR 60 Ca -0.38 -0.03 -0.49 0.00 3.14 0.00 0.00 58.73 60.97 1jwe h TYR 60 Cb 1.19 -0.00 0.06 0.00 1.54 0.00 0.00 36.73 39.52 1jwe h TYR 60 CO 0.70 1.06 0.38 0.95 -1.64 0.00 0.00 178.16 179.61 1jwe s THR 61 N -2.25 3.82 0.14 1.81 -4.23 -1.26 -4.86 115.64 108.82 1jwe s THR 61 Ca -0.19 0.88 -0.20 0.00 -1.18 0.00 0.00 61.69 60.99 1jwe s THR 61 Cb -0.02 -3.40 -0.00 0.00 1.34 0.00 0.00 72.50 70.42 1jwe s THR 61 CO 0.69 -0.49 1.68 -0.09 -0.54 0.00 0.00 174.62 175.87 1jwe h ARG 62 N 0.52 -0.08 -0.48 3.99 2.43 -1.98 -0.27 114.38 118.51 1jwe h ARG 62 Ca -0.47 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 58.63 1jwe h ARG 62 Cb 1.22 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 1jwe h ARG 62 CO 0.58 -0.05 0.01 -1.00 -1.51 0.00 0.00 179.97 177.99 1jwe h PRO 63 N -0.08 0.78 -0.25 0.20 0.13 -1.90 -0.60 132.00 130.28 1jwe h PRO 63 Ca 0.11 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 65.02 1jwe h PRO 63 Cb 0.25 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 1jwe h PRO 63 CO -0.26 0.79 0.10 0.45 -0.23 0.00 0.00 178.00 178.85 1jwe h HIS 64 N 0.73 0.38 -0.16 1.56 3.86 -1.87 -2.58 115.15 117.08 1jwe h HIS 64 Ca 0.14 -0.03 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 1jwe h HIS 64 Cb 0.44 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.77 1jwe h HIS 64 CO 0.02 0.40 0.02 -0.09 0.86 0.00 0.00 177.93 179.14 1jwe h ARG 65 N 0.26 0.08 -0.57 2.45 2.43 -0.86 -2.76 114.38 115.41 1jwe h ARG 65 Ca 0.08 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.34 1jwe h ARG 65 Cb 0.18 -0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.60 1jwe h ARG 65 CO -0.01 0.05 -0.42 0.45 -1.51 0.00 0.00 179.97 178.54 1jwe h HIS 66 N 0.08 -1.22 -0.16 2.20 3.86 -1.02 0.60 115.15 119.49 1jwe h HIS 66 Ca 0.07 0.08 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1jwe h HIS 66 Cb 0.08 0.62 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 1jwe h HIS 66 CO -0.14 -0.42 0.09 0.82 0.86 0.00 0.00 177.93 179.14 1jwe h ILE 67 N -0.22 1.09 -0.86 2.45 2.04 -1.24 0.11 117.51 120.89 1jwe h ILE 67 Ca 0.19 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 1jwe h ILE 67 Cb 0.56 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.57 1jwe h ILE 67 CO -0.68 0.09 0.52 0.15 0.00 0.00 0.00 178.15 178.23 1jwe h PHE 68 N 0.16 1.13 -0.72 1.37 3.04 -1.21 0.17 116.94 120.88 1jwe h PHE 68 Ca 0.06 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.94 1jwe h PHE 68 Cb 0.06 -0.37 -0.03 0.00 2.56 0.00 0.00 35.95 38.17 1jwe h PHE 68 CO -0.04 0.76 0.19 1.15 -2.02 0.00 0.00 178.31 178.35 1jwe h THR 69 N 1.18 1.26 0.03 4.41 2.02 0.07 0.05 112.91 121.93 1jwe h THR 69 Ca 0.31 -0.96 -0.24 0.00 0.77 0.00 0.00 66.41 66.29 1jwe h THR 69 Cb -0.05 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1jwe h THR 69 CO -0.06 0.37 -1.18 -0.08 0.37 0.00 0.00 175.52 174.94 1jwe h GLU 70 N 1.09 0.06 -0.26 6.66 4.57 -0.51 0.72 114.58 126.92 1jwe h GLU 70 Ca 0.23 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.29 1jwe h GLU 70 Cb 0.35 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 1jwe h GLU 70 CO -0.00 0.97 0.11 0.52 -1.18 0.00 0.00 179.01 179.43 1jwe h MET 71 N 0.02 0.38 -0.38 1.92 2.86 -0.89 0.57 114.93 119.41 1jwe h MET 71 Ca -0.09 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.50 1jwe h MET 71 Cb 1.85 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 33.43 1jwe h MET 71 CO 0.14 0.40 0.24 0.00 1.06 0.00 0.00 176.91 178.74 1jwe h ALA 72 N 0.96 0.48 -0.32 6.32 0.00 -0.89 0.08 119.26 125.90 1jwe h ALA 72 Ca 0.09 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1jwe h ALA 72 Cb 0.15 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1jwe h ALA 72 CO -0.01 -0.09 0.09 -0.09 0.00 0.00 0.00 179.25 179.16 1jwe h ARG 73 N 0.48 0.22 -0.07 0.00 9.65 -0.69 0.97 114.38 124.94 1jwe h ARG 73 Ca 0.15 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 1jwe h ARG 73 Cb -0.03 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1jwe h ARG 73 CO -0.05 0.14 -0.00 -0.07 2.80 0.00 0.00 179.97 182.79 1jwe h LEU 74 N 0.22 -0.03 -0.72 3.80 3.38 -0.50 0.12 115.31 121.58 1jwe h LEU 74 Ca 0.14 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1jwe h LEU 74 Cb 0.13 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1jwe h LEU 74 CO -0.16 -0.01 0.32 -0.61 0.09 0.00 0.00 178.44 178.07 1jwe h GLN 75 N 0.02 1.05 -0.53 1.13 5.75 -0.71 0.85 115.11 122.67 1jwe h GLN 75 Ca 0.03 -0.17 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1jwe h GLN 75 Cb 0.04 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1jwe h GLN 75 CO -0.05 0.85 0.35 1.49 -2.65 0.00 0.00 178.83 178.81 1jwe h GLU 76 N 1.02 0.70 -0.13 1.69 4.22 -0.61 -0.00 114.58 121.47 1jwe h GLU 76 Ca 0.24 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.64 1jwe h GLU 76 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jwe h GLU 76 CO -0.03 0.47 0.00 0.43 -2.18 0.00 0.00 179.01 177.70 1jwe n SER 77 N -4.45 0.70 -2.86 1.04 7.64 0.42 -4.88 113.62 111.21 1jwe n SER 77 Ca 0.05 -1.95 -0.21 0.00 1.01 0.00 0.00 58.87 57.76 1jwe n SER 77 Cb 0.05 -0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.73 -0.45 3.21 0.23 0.00 -0.01 -4.97 105.19 103.92 1jwe n GLY 78 Ca 0.05 0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.74 1.98 0.86 1.61 0.01 0.13 -5.00 113.70 110.56 1jwe s SER 79 Ca 0.29 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.82 1jwe s SER 79 Cb -0.13 -0.09 0.11 0.00 0.21 0.00 0.00 66.02 66.13 1jwe s SER 79 CO 0.36 -0.02 1.11 -2.16 0.41 0.00 0.00 173.24 172.94 1jwe s PRO 80 N -1.74 1.49 -0.24 12.44 0.04 -1.26 -3.19 135.00 142.54 1jwe s PRO 80 Ca 0.01 1.22 0.13 0.00 0.04 0.00 0.00 61.00 62.40 1jwe s PRO 80 Cb -0.10 -1.81 0.50 0.00 0.04 0.00 0.00 34.50 33.14 1jwe s PRO 80 CO 0.03 -2.19 1.43 0.44 0.04 0.00 0.00 177.00 176.75 1jwe n ILE 81 N -3.90 2.41 -1.42 0.56 -5.35 -1.26 -4.57 119.36 105.84 1jwe n ILE 81 Ca 0.09 -2.35 -0.34 0.00 -0.27 0.00 0.00 62.75 59.88 1jwe n ILE 81 Cb 0.53 -0.29 0.09 0.00 -1.74 0.00 0.00 39.64 38.23 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 -2.30 4.23 0.23 7.28 -1.08 -1.26 -4.28 116.67 119.49 1jwe s ASP 82 Ca 0.43 2.28 -0.07 0.00 -0.52 0.00 0.00 52.55 54.67 1jwe s ASP 82 Cb 0.37 -2.58 0.33 0.00 -1.46 0.00 0.00 42.92 39.58 1jwe s ASP 82 CO 0.04 -2.23 1.79 0.25 0.52 0.00 0.00 175.17 175.54 1jwe h LEU 83 N -0.40 0.54 -0.29 -1.34 5.85 -1.94 0.82 115.31 118.55 1jwe h LEU 83 Ca -0.47 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.26 1jwe h LEU 83 Cb 1.28 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.25 1jwe h LEU 83 CO 0.50 0.32 0.04 0.40 -0.34 0.00 0.00 178.44 179.35 1jwe h ILE 84 N 0.67 1.24 0.05 4.05 1.08 -1.99 0.81 117.51 123.43 1jwe h ILE 84 Ca 0.35 -0.82 -0.00 0.00 -0.39 0.00 0.00 64.86 63.99 1jwe h ILE 84 Cb 0.32 1.21 -0.00 0.00 -3.07 0.00 0.00 36.82 35.28 1jwe h ILE 84 CO -0.24 0.27 -0.03 0.74 -0.69 0.00 0.00 178.15 178.20 1jwe h THR 85 N 0.31 0.94 0.25 -0.27 2.02 -1.76 -2.49 112.91 111.90 1jwe h THR 85 Ca 0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.28 1jwe h THR 85 Cb 0.36 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1jwe h THR 85 CO 0.01 0.00 -0.38 0.25 0.37 0.00 0.00 175.52 175.77 1jwe h LEU 86 N -0.07 -1.08 -0.29 2.58 5.85 -0.67 0.87 115.31 122.50 1jwe h LEU 86 Ca -0.01 0.11 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1jwe h LEU 86 Cb 0.06 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1jwe h LEU 86 CO 0.01 -0.49 0.09 0.00 -0.34 0.00 0.00 178.44 177.71 1jwe h ALA 87 N -0.22 0.32 -0.42 1.25 0.00 -0.81 0.69 119.26 120.07 1jwe h ALA 87 Ca -0.00 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1jwe h ALA 87 Cb 0.67 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1jwe h ALA 87 CO -0.14 -0.31 -0.06 0.93 0.00 0.00 0.00 179.25 179.66 1jwe h GLU 88 N 0.22 0.72 -0.08 0.00 5.08 -1.29 -2.70 114.58 116.54 1jwe h GLU 88 Ca 0.13 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.11 1jwe h GLU 88 Cb 0.10 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1jwe h GLU 88 CO -0.14 0.78 -0.67 1.03 -1.00 0.00 0.00 179.01 179.01 1jwe h SER 89 N 0.67 0.39 -0.52 1.42 0.87 -0.03 -2.60 113.55 113.74 1jwe h SER 89 Ca 0.12 -0.24 -0.01 0.00 -1.23 0.00 0.00 61.79 60.44 1jwe h SER 89 Cb 0.50 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 1jwe h SER 89 CO 0.03 0.95 0.30 -0.07 -0.53 0.00 0.00 176.83 177.50 1jwe h LEU 90 N 0.23 0.64 -1.30 2.23 3.38 -0.77 -1.90 115.31 117.82 1jwe h LEU 90 Ca -0.02 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.80 1jwe h LEU 90 Cb 1.22 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1jwe h LEU 90 CO 0.11 0.54 -0.31 1.05 0.09 0.00 0.00 178.44 179.92 1jwe h GLU 91 N 0.70 0.06 -0.42 1.13 4.11 -1.30 0.15 114.58 119.01 1jwe h GLU 91 Ca 0.19 -0.02 -0.01 0.00 0.07 0.00 0.00 59.36 59.59 1jwe h GLU 91 Cb 0.03 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1jwe h GLU 91 CO -0.03 0.37 0.23 0.00 0.07 0.00 0.00 179.01 179.64 1jwe h ARG 92 N 0.05 0.59 0.00 1.06 3.08 -1.07 -0.86 114.38 117.23 1jwe h ARG 92 Ca 0.01 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1jwe h ARG 92 Cb 0.58 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1jwe h ARG 92 CO 0.04 0.48 0.00 1.04 -1.07 0.00 0.00 179.97 180.47 1jwe n GLN 93 N -4.71 0.33 -1.11 0.04 1.13 -0.75 -4.88 117.38 107.43 1jwe n GLN 93 Ca 0.01 0.08 -0.04 0.00 -1.94 0.00 0.00 57.00 55.11 1jwe n GLN 93 Cb 0.09 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.92 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 0.46 0.67 0.27 1.08 0.00 -0.11 -4.91 105.19 102.64 1jwe n GLY 94 Ca 0.10 -0.75 0.03 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.78 0.07 -0.15 1.61 1.13 0.35 -4.63 117.38 112.99 1jwe n GLN 95 Ca -0.04 -0.90 -0.07 0.00 -1.94 0.00 0.00 57.00 54.05 1jwe n GLN 95 Cb 0.14 -1.13 0.01 0.00 0.11 0.00 0.00 30.24 29.37 1jwe n GLN 95 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1jwe h LEU 96 N 1.34 0.51 -0.75 1.08 5.85 -1.78 -0.86 115.31 120.69 1jwe h LEU 96 Ca 0.00 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 1jwe h LEU 96 Cb 0.29 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1jwe h LEU 96 CO 0.00 0.37 0.13 -0.78 -0.34 0.00 0.00 178.44 177.82 1jwe h ASP 97 N 0.60 1.03 0.11 1.25 3.58 -1.89 -0.18 116.42 120.92 1jwe h ASP 97 Ca 0.17 -0.23 -0.01 0.00 0.42 0.00 0.00 57.03 57.38 1jwe h ASP 97 Cb -0.06 -0.27 -0.00 0.00 1.72 0.00 0.00 39.33 40.72 1jwe h ASP 97 CO -0.04 1.00 -0.05 0.28 -2.88 0.00 0.00 179.24 177.55 1jwe h SER 98 N 1.02 0.00 0.44 2.28 0.02 -1.64 -0.89 113.55 114.77 1jwe h SER 98 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1jwe h SER 98 Cb 0.40 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1jwe h SER 98 CO 0.01 0.05 -0.11 1.33 -1.14 0.00 0.00 176.83 176.96 1jwe n VAL 99 N -3.89 0.00 -0.89 2.27 0.24 -0.40 -4.66 118.33 111.00 1jwe n VAL 99 Ca -0.03 -0.04 0.00 0.00 -2.04 0.00 0.00 64.34 62.23 1jwe n VAL 99 Cb 0.14 -0.15 0.00 0.00 -1.47 0.00 0.00 33.84 32.36 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 1.31 1.24 0.70 7.63 0.00 -0.34 -4.77 105.19 110.96 1jwe n GLY 100 Ca 0.13 -0.35 0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.82 -1.64 2.21 -0.02 0.00 -0.11 -2.48 105.19 102.32 1jwe n GLY 101 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 46.02 44.55 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 -2.65 0.32 0.08 1.61 -0.00 -1.26 -2.89 117.46 112.66 1jwe n PHE 102 Ca 0.00 -1.32 0.00 0.00 -0.00 0.00 0.00 57.45 56.13 1jwe n PHE 102 Cb 0.32 -1.40 0.00 0.00 -0.00 0.00 0.00 39.48 38.40 1jwe n PHE 102 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1jwe n ALA 103 N 2.89 3.00 -0.01 3.13 0.00 -1.25 -4.70 120.51 123.57 1jwe n ALA 103 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1jwe n ALA 103 Cb 0.57 0.04 0.30 0.00 0.00 0.00 0.00 19.45 20.36 1jwe n ALA 103 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1jwe h TYR 104 N 0.00 0.56 -0.43 0.00 3.20 -1.35 -0.28 116.97 118.67 1jwe h TYR 104 Ca 0.00 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.80 1jwe h TYR 104 Cb 0.05 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 1jwe h TYR 104 CO 0.00 0.53 0.18 -0.07 -1.64 0.00 0.00 178.16 177.16 1jwe h LEU 105 N 0.53 0.59 -1.18 2.82 3.38 -1.83 -1.99 115.31 117.63 1jwe h LEU 105 Ca 0.12 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1jwe h LEU 105 Cb 0.29 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1jwe h LEU 105 CO 0.01 0.58 -0.22 0.00 0.09 0.00 0.00 178.44 178.90 1jwe h ALA 106 N 1.03 1.32 0.70 1.53 0.00 -1.58 -1.08 119.26 121.18 1jwe h ALA 106 Ca 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.74 1jwe h ALA 106 Cb 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jwe h ALA 106 CO -0.01 0.46 -0.42 1.49 0.00 0.00 0.00 179.25 180.76 1jwe h GLU 107 N 0.27 -1.02 -0.44 0.00 4.57 -0.87 -2.88 114.58 114.20 1jwe h GLU 107 Ca 0.05 0.07 0.09 0.00 -1.18 0.00 0.00 59.36 58.38 1jwe h GLU 107 Cb 0.54 0.23 -0.08 0.00 -0.16 0.00 0.00 28.75 29.29 1jwe h GLU 107 CO 0.04 -0.68 -0.04 -0.07 -1.18 0.00 0.00 179.01 177.08 1jwe h LEU 108 N -1.06 -0.26 -2.05 1.64 3.38 -1.06 -0.93 115.31 114.96 1jwe h LEU 108 Ca -0.09 0.11 0.11 0.00 0.09 0.00 0.00 57.88 58.11 1jwe h LEU 108 Cb 0.85 0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 1jwe h LEU 108 CO 0.10 -0.09 0.32 -1.28 0.09 0.00 0.00 178.44 177.57 1jwe h SER 109 N 0.07 0.00 -0.09 -0.43 0.87 -1.17 -0.95 113.55 111.84 1jwe h SER 109 Ca 0.22 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1jwe h SER 109 Cb 0.33 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1jwe h SER 109 CO -0.40 0.00 -0.12 0.29 -0.53 0.00 0.00 176.83 176.07 1jwe n LYS 110 N -4.18 1.73 -2.55 2.24 5.02 -0.46 -4.60 118.16 115.36 1jwe n LYS 110 Ca 0.06 -2.86 -0.19 0.00 -2.02 0.00 0.00 58.31 53.30 1jwe n LYS 110 Cb 0.50 -1.63 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 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 -1.15 3.25 -3.77 4.39 5.15 -0.36 -5.02 115.26 117.75 1jwe n ASN 111 Ca 0.20 -3.25 -0.13 0.00 -0.60 0.00 0.00 54.58 50.80 1jwe n ASN 111 Cb 0.75 -0.49 -0.10 0.00 -0.53 0.00 0.00 39.78 39.41 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 -4.44 0.02 -1.19 -0.44 2.01 -1.25 -4.24 115.64 106.10 1jwe s THR 112 Ca 0.39 -0.16 -0.18 0.00 0.31 0.00 0.00 61.69 62.04 1jwe s THR 112 Cb 0.42 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 72.40 1jwe s THR 112 CO -0.08 -0.09 2.02 -0.81 -0.69 0.00 0.00 174.62 174.97 1jwe n PRO 113 N 2.38 2.37 -4.35 4.92 -0.04 -1.26 -4.70 135.00 134.32 1jwe n PRO 113 Ca -0.16 -2.48 -0.33 0.00 -0.04 0.00 0.00 63.50 60.49 1jwe n PRO 113 Cb 0.57 -3.27 -0.09 0.00 -0.04 0.00 0.00 33.50 30.67 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 7.90 0.31 -0.01 3.54 2.88 -1.26 -0.70 113.62 126.28 1jwe n SER 114 Ca 0.50 -1.26 -0.00 0.00 -1.33 0.00 0.00 58.87 56.78 1jwe n SER 114 Cb 0.42 -1.67 -0.00 0.00 -0.75 0.00 0.00 64.21 62.21 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 -4.48 -0.00 1.63 -1.46 0.00 -1.26 -4.84 120.51 110.10 1jwe n ALA 115 Ca -0.24 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.27 1jwe n ALA 115 Cb 0.65 -1.23 0.28 0.00 0.00 0.00 0.00 19.45 19.15 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 0.82 2.53 -2.04 0.00 0.00 0.12 -3.95 120.51 117.99 1jwe n ALA 116 Ca -0.00 -0.26 -0.04 0.00 0.00 0.00 0.00 53.44 53.14 1jwe n ALA 116 Cb 0.41 -1.11 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1jwe n ALA 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jwe n ASN 117 N -0.23 -0.47 -0.14 0.00 2.85 -1.26 -5.02 115.26 110.99 1jwe n ASN 117 Ca 0.10 -1.69 -0.08 0.00 -0.11 0.00 0.00 54.58 52.80 1jwe n ASN 117 Cb 0.14 0.13 0.00 0.00 1.24 0.00 0.00 39.78 41.29 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 5.27 1.17 -0.42 -1.44 2.10 -1.93 -2.33 117.51 119.93 1jwe h ILE 118 Ca -0.34 -0.46 0.09 0.00 1.08 0.00 0.00 64.86 65.23 1jwe h ILE 118 Cb 1.32 0.69 -0.09 0.00 -1.09 0.00 0.00 36.82 37.65 1jwe h ILE 118 CO -0.15 0.18 -0.27 -1.28 -1.08 0.00 0.00 178.15 175.55 1jwe h SER 119 N 0.55 -0.90 0.30 2.19 0.87 -1.95 0.99 113.55 115.60 1jwe h SER 119 Ca 0.15 0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1jwe h SER 119 Cb 0.09 0.45 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1jwe h SER 119 CO -0.02 -0.28 -0.16 0.00 -0.53 0.00 0.00 176.83 175.83 1jwe h ALA 120 N 0.97 1.43 0.08 6.23 0.00 -1.85 0.31 119.26 126.43 1jwe h ALA 120 Ca 0.19 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jwe h ALA 120 Cb 0.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jwe h ALA 120 CO -0.53 0.21 -0.04 1.88 0.00 0.00 0.00 179.25 180.77 1jwe h TYR 121 N 0.00 -0.10 -0.08 0.00 0.05 -1.01 -3.29 116.97 112.54 1jwe h TYR 121 Ca -0.00 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.80 1jwe h TYR 121 Cb 0.36 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.13 1jwe h TYR 121 CO 0.00 0.44 0.06 0.00 -1.05 0.00 0.00 178.16 177.61 1jwe h ALA 122 N -0.05 2.04 -0.02 3.88 0.00 0.40 0.72 119.26 126.24 1jwe h ALA 122 Ca -0.01 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1jwe h ALA 122 Cb 0.59 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jwe h ALA 122 CO 0.02 -0.10 -0.21 -0.44 0.00 0.00 0.00 179.25 178.52 1jwe h ASP 123 N 0.00 0.03 -0.00 0.00 3.32 -0.55 0.11 116.42 119.33 1jwe h ASP 123 Ca 0.04 -0.01 -0.17 0.00 0.02 0.00 0.00 57.03 56.91 1jwe h ASP 123 Cb 0.16 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.72 1jwe h ASP 123 CO -0.00 0.24 -0.66 0.40 -1.72 0.00 0.00 179.24 177.50 1jwe h ILE 124 N 0.03 1.41 0.07 0.35 2.04 -0.95 -2.77 117.51 117.69 1jwe h ILE 124 Ca 0.00 -2.10 0.02 0.00 1.00 0.00 0.00 64.86 63.78 1jwe h ILE 124 Cb 0.39 2.56 -0.03 0.00 -0.74 0.00 0.00 36.82 39.00 1jwe h ILE 124 CO 0.03 0.62 -0.21 0.58 0.00 0.00 0.00 178.15 179.17 1jwe h VAL 125 N -0.03 0.52 -0.69 1.67 2.07 -0.78 -2.28 116.25 116.74 1jwe h VAL 125 Ca -0.08 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.48 1jwe h VAL 125 Cb 1.37 0.52 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1jwe h VAL 125 CO 0.13 0.00 0.41 -0.09 0.02 0.00 0.00 177.57 178.04 1jwe h ARG 126 N -0.37 0.76 0.66 1.57 9.65 -0.91 -3.02 114.38 122.71 1jwe h ARG 126 Ca 0.04 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1jwe h ARG 126 Cb 0.41 -0.17 0.01 0.00 -1.39 0.00 0.00 29.97 28.83 1jwe h ARG 126 CO -0.14 0.50 -0.32 1.49 2.80 0.00 0.00 179.97 184.30 1jwe h GLU 127 N 0.78 -0.86 -0.65 0.20 4.81 -1.14 0.13 114.58 117.85 1jwe h GLU 127 Ca 0.29 0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.67 1jwe h GLU 127 Cb 0.11 0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1jwe h GLU 127 CO -0.15 -0.55 0.43 0.00 -0.73 0.00 0.00 179.01 178.01 1jwe h ARG 128 N -0.95 0.53 -0.11 1.92 2.47 -1.42 0.14 114.38 116.97 1jwe h ARG 128 Ca -0.09 -0.03 -0.15 0.00 -1.26 0.00 0.00 59.98 58.44 1jwe h ARG 128 Cb 0.70 -0.12 0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1jwe h ARG 128 CO 0.15 0.35 -0.54 0.00 0.56 0.00 0.00 179.97 180.50 1jwe h ALA 129 N 1.66 0.21 -0.59 0.04 0.00 -1.34 -0.89 119.26 118.34 1jwe h ALA 129 Ca 0.29 -0.52 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1jwe h ALA 129 Cb 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jwe h ALA 129 CO -0.09 0.41 0.23 0.28 0.00 0.00 0.00 179.25 180.08 1jwe h VAL 130 N 0.16 1.23 0.00 0.00 2.07 -0.06 -0.70 116.25 118.95 1jwe h VAL 130 Ca -0.04 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.73 1jwe h VAL 130 Cb 1.18 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1jwe h VAL 130 CO 0.11 0.28 -0.14 0.58 0.02 0.00 0.00 177.57 178.42 1jwe h VAL 131 N 0.82 0.81 -0.04 2.57 2.07 -0.78 0.08 116.25 121.78 1jwe h VAL 131 Ca 0.20 -0.54 -0.04 0.00 0.82 0.00 0.00 66.70 67.14 1jwe h VAL 131 Cb 0.21 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 1jwe h VAL 131 CO -0.01 0.14 -0.14 -0.09 0.02 0.00 0.00 177.57 177.48 1jwe h ARG 132 N 0.00 0.06 0.00 1.57 1.12 0.36 0.30 114.38 117.79 1jwe h ARG 132 Ca -0.00 -0.01 -0.05 0.00 -1.11 0.00 0.00 59.98 58.81 1jwe h ARG 132 Cb 0.31 -0.01 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 1jwe h ARG 132 CO 0.02 0.20 -0.34 1.05 -3.11 0.00 0.00 179.97 177.79 1jwe h GLU 133 N 0.06 0.00 -1.93 0.20 4.11 -1.37 -3.40 114.58 112.25 1jwe h GLU 133 Ca 0.01 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.22 1jwe h GLU 133 Cb 0.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.45 1jwe h GLU 133 CO 0.02 0.68 -0.01 -0.12 0.07 0.00 0.00 179.01 179.65 1jwe n MET 134 N -4.61 1.80 -1.62 1.06 1.56 -0.02 -4.95 117.12 110.33 1jwe n MET 134 Ca -0.13 -1.10 -0.49 0.00 -0.27 0.00 0.00 57.70 55.71 1jwe n MET 134 Cb 0.40 -1.72 -0.05 0.00 2.15 0.00 0.00 33.22 34.00 1jwe n MET 134 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1jwe n ILE 135 N 1.59 0.45 0.27 1.12 2.08 0.06 -4.69 119.36 120.24 1jwe n ILE 135 Ca 0.31 -0.18 0.02 0.00 0.56 0.00 0.00 62.75 63.46 1jwe n ILE 135 Cb 0.69 -1.86 0.13 0.00 -0.75 0.00 0.00 39.64 37.84 1jwe n ILE 135 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57