#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf7 n MET 3 N 0.00 0.66 0.10 3.44 0.00 -1.26 -3.76 117.12 116.30 1jf7 n MET 3 Ca 0.00 0.12 0.11 0.00 -0.00 0.00 0.00 57.70 57.93 1jf7 n MET 3 Cb 0.00 -1.66 0.46 0.00 0.00 0.00 0.00 33.22 32.01 1jf7 n MET 3 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1jf7 n GLU 4 N -2.84 0.16 -0.00 2.12 2.13 -1.26 -2.07 120.64 118.88 1jf7 n GLU 4 Ca -0.21 0.38 -0.21 0.00 0.66 0.00 0.00 57.16 57.77 1jf7 n GLU 4 Cb 1.03 -1.80 -0.14 0.00 0.27 0.00 0.00 31.44 30.80 1jf7 n GLU 4 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1jf7 n LYS 5 N -2.10 0.75 0.02 5.31 2.85 -1.25 -2.93 118.16 120.81 1jf7 n LYS 5 Ca 0.03 0.28 0.05 0.00 -1.05 0.00 0.00 58.31 57.62 1jf7 n LYS 5 Cb 0.23 -1.71 0.45 0.00 -0.65 0.00 0.00 35.03 33.35 1jf7 n LYS 5 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1jf7 h GLU 6 N -0.00 0.47 -0.58 -1.58 4.81 -1.61 0.82 114.58 116.91 1jf7 h GLU 6 Ca -0.42 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 1jf7 h GLU 6 Cb 1.98 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 31.22 1jf7 h GLU 6 CO 0.06 0.31 0.36 0.35 -0.73 0.00 0.00 179.01 179.37 1jf7 h PHE 7 N 0.49 0.68 -0.13 0.92 3.57 -1.51 0.19 116.94 121.16 1jf7 h PHE 7 Ca 0.15 0.02 -0.20 0.00 3.53 0.00 0.00 57.97 61.47 1jf7 h PHE 7 Cb -0.00 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1jf7 h PHE 7 CO -0.00 0.40 -0.72 0.93 -2.23 0.00 0.00 178.31 176.69 1jf7 h GLU 8 N 0.72 0.59 -0.54 1.11 5.08 -0.38 -1.56 114.58 119.60 1jf7 h GLU 8 Ca 0.22 -0.46 0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1jf7 h GLU 8 Cb -0.02 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.28 1jf7 h GLU 8 CO -0.08 1.09 0.29 0.37 -1.00 0.00 0.00 179.01 179.68 1jf7 h GLN 9 N 0.41 0.55 -0.27 2.33 4.15 0.88 -1.17 115.11 121.99 1jf7 h GLN 9 Ca -0.03 -0.03 -0.09 0.00 0.77 0.00 0.00 58.65 59.27 1jf7 h GLN 9 Cb 1.32 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.87 1jf7 h GLN 9 CO 0.14 0.37 -0.20 0.82 -1.93 0.00 0.00 178.83 178.02 1jf7 h ILE 10 N 0.57 1.25 0.43 2.39 1.08 -0.92 -3.05 117.51 119.27 1jf7 h ILE 10 Ca 0.24 -1.16 -0.02 0.00 -0.39 0.00 0.00 64.86 63.52 1jf7 h ILE 10 Cb 0.11 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.13 1jf7 h ILE 10 CO -0.15 0.37 -0.21 -0.78 -0.69 0.00 0.00 178.15 176.70 1jf7 h ASP 11 N 0.44 -0.49 0.05 1.72 3.58 -0.50 -1.66 116.42 119.57 1jf7 h ASP 11 Ca 0.07 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1jf7 h ASP 11 Cb 0.60 0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1jf7 h ASP 11 CO 0.04 -0.06 -0.04 0.50 -2.88 0.00 0.00 179.24 176.80 1jf7 h LYS 12 N -1.09 0.00 0.00 0.28 1.63 -1.36 0.19 116.57 116.22 1jf7 h LYS 12 Ca -0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1jf7 h LYS 12 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1jf7 h LYS 12 CO 0.10 0.04 0.00 0.77 -3.45 0.00 0.00 179.45 176.90 1jf7 h SER 13 N 0.00 0.00 -6.03 4.20 0.02 -1.51 -3.47 113.55 106.76 1jf7 h SER 13 Ca -0.00 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.52 1jf7 h SER 13 Cb 0.07 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.68 1jf7 h SER 13 CO 0.00 0.00 -0.71 0.61 -1.14 0.00 0.00 176.83 175.59 1jf7 n GLY 14 N 0.56 -0.53 1.12 -3.77 0.00 0.67 -4.92 105.19 98.32 1jf7 n GLY 14 Ca 0.02 0.23 0.08 0.00 0.00 0.00 0.00 46.02 46.36 1jf7 n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1jf7 n SER 15 N -2.95 3.86 -0.26 1.61 7.64 -0.76 -4.64 113.62 118.12 1jf7 n SER 15 Ca 0.02 -2.29 0.06 0.00 1.01 0.00 0.00 58.87 57.67 1jf7 n SER 15 Cb 0.55 -0.44 0.20 0.00 -1.01 0.00 0.00 64.21 63.51 1jf7 n SER 15 CO 0.00 0.00 0.00 -0.50 -3.01 0.00 0.00 175.04 171.53 1jf7 h TRP 16 N 3.08 0.51 -0.22 1.43 4.06 -1.92 0.18 115.95 123.08 1jf7 h TRP 16 Ca 0.00 0.04 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 1jf7 h TRP 16 Cb 1.12 -0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 1jf7 h TRP 16 CO 0.49 0.03 -0.06 0.00 -3.56 0.00 0.00 178.44 175.35 1jf7 h ALA 17 N 1.58 1.49 -0.10 1.49 0.00 -1.90 -0.05 119.26 121.77 1jf7 h ALA 17 Ca 0.43 -0.19 -0.24 0.00 0.00 0.00 0.00 54.91 54.92 1jf7 h ALA 17 Cb 0.69 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1jf7 h ALA 17 CO -0.43 0.36 -0.87 0.00 0.00 0.00 0.00 179.25 178.31 1jf7 h ALA 18 N 1.61 0.25 -0.49 0.00 0.00 -1.03 0.20 119.26 119.80 1jf7 h ALA 18 Ca 0.07 -0.63 -0.13 0.00 0.00 0.00 0.00 54.91 54.22 1jf7 h ALA 18 Cb 0.32 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jf7 h ALA 18 CO 0.01 0.69 -0.21 0.82 0.00 0.00 0.00 179.25 180.57 1jf7 h ILE 19 N 0.49 1.27 -0.28 0.00 2.04 -0.83 0.93 117.51 121.13 1jf7 h ILE 19 Ca -0.08 -1.37 0.01 0.00 1.00 0.00 0.00 64.86 64.42 1jf7 h ILE 19 Cb 1.51 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 1jf7 h ILE 19 CO 0.18 0.48 0.16 0.22 0.00 0.00 0.00 178.15 179.18 1jf7 h TYR 20 N 0.87 0.30 -0.46 1.37 3.20 -0.85 -1.74 116.97 119.65 1jf7 h TYR 20 Ca 0.11 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.09 1jf7 h TYR 20 Cb 0.79 -0.09 -0.09 0.00 1.54 0.00 0.00 36.73 38.87 1jf7 h TYR 20 CO 0.05 0.17 -0.17 0.37 -1.64 0.00 0.00 178.16 176.95 1jf7 h GLN 21 N 0.33 -0.06 -0.61 1.82 4.15 -0.24 -2.00 115.11 118.49 1jf7 h GLN 21 Ca 0.11 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.53 1jf7 h GLN 21 Cb 0.01 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.68 1jf7 h GLN 21 CO -0.06 -0.04 0.38 0.22 -1.93 0.00 0.00 178.83 177.40 1jf7 h ASP 22 N -0.06 0.73 -0.77 -0.69 -0.00 -0.35 0.82 116.42 116.10 1jf7 h ASP 22 Ca 0.22 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.03 57.17 1jf7 h ASP 22 Cb 0.41 -0.18 -0.03 0.00 -0.00 0.00 0.00 39.33 39.52 1jf7 h ASP 22 CO -0.51 0.56 0.34 0.40 -0.00 0.00 0.00 179.24 180.03 1jf7 h ILE 23 N 0.83 1.25 -0.10 2.25 2.04 -1.06 -0.96 117.51 121.76 1jf7 h ILE 23 Ca 0.22 -0.75 -0.08 0.00 1.00 0.00 0.00 64.86 65.25 1jf7 h ILE 23 Cb -0.04 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.35 1jf7 h ILE 23 CO -0.04 0.31 -0.30 -0.09 0.00 0.00 0.00 178.15 178.03 1jf7 h ARG 24 N 1.10 0.19 -0.01 2.37 9.65 -0.87 -0.17 114.38 126.63 1jf7 h ARG 24 Ca 0.26 -0.07 -0.14 0.00 -1.10 0.00 0.00 59.98 58.93 1jf7 h ARG 24 Cb 0.17 -0.01 -0.02 0.00 -1.39 0.00 0.00 29.97 28.72 1jf7 h ARG 24 CO -0.03 0.48 -0.65 1.25 2.80 0.00 0.00 179.97 183.83 1jf7 h HIS 25 N 0.17 0.08 0.00 2.20 2.76 0.16 -3.27 115.15 117.25 1jf7 h HIS 25 Ca 0.02 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1jf7 h HIS 25 Cb 0.62 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.57 1jf7 h HIS 25 CO 0.01 0.69 -1.04 0.39 -1.30 0.00 0.00 177.93 176.67 1jf7 n GLU 26 N -3.79 0.33 -1.59 5.26 -0.58 -0.46 -4.97 120.64 114.84 1jf7 n GLU 26 Ca -0.01 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.29 1jf7 n GLU 26 Cb 0.64 -1.61 -0.01 0.00 -0.57 0.00 0.00 31.44 29.89 1jf7 n GLU 26 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1jf7 n ALA 27 N -1.87 -0.17 -1.36 0.62 0.00 -0.12 -4.95 120.51 112.65 1jf7 n ALA 27 Ca 0.02 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.50 1jf7 n ALA 27 Cb 0.45 -2.02 0.15 0.00 0.00 0.00 0.00 19.45 18.03 1jf7 n ALA 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jf7 s SER 28 N -0.62 3.10 -0.24 0.00 1.04 -1.26 -5.04 113.70 110.68 1jf7 s SER 28 Ca 0.60 1.07 -0.03 0.00 0.48 0.00 0.00 55.95 58.07 1jf7 s SER 28 Cb -0.65 -1.70 0.10 0.00 0.10 0.00 0.00 66.02 63.87 1jf7 s SER 28 CO 0.59 -2.82 0.21 -0.62 0.98 0.00 0.00 173.24 171.58 1jf7 s ASP 29 N -3.76 2.00 0.24 7.02 2.15 -1.26 -4.94 116.67 118.12 1jf7 s ASP 29 Ca 0.64 -0.62 0.11 0.00 0.43 0.00 0.00 52.55 53.11 1jf7 s ASP 29 Cb -0.17 0.19 -0.05 0.00 -0.30 0.00 0.00 42.92 42.60 1jf7 s ASP 29 CO 0.55 -0.37 -0.13 -0.36 -0.17 0.00 0.00 175.17 174.69 1jf7 s PHE 30 N 2.27 2.48 0.59 -5.34 0.08 -1.26 -5.12 117.98 111.68 1jf7 s PHE 30 Ca 0.07 -0.28 -0.19 0.00 0.12 0.00 0.00 56.93 56.65 1jf7 s PHE 30 Cb -0.15 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.13 1jf7 s PHE 30 CO -0.22 0.61 1.23 -1.25 -0.10 0.00 0.00 175.22 175.49 1jf7 s PRO 31 N -3.26 2.96 -0.39 0.24 0.04 -1.26 -4.84 135.00 128.49 1jf7 s PRO 31 Ca 0.28 1.88 0.10 0.00 0.04 0.00 0.00 61.00 63.29 1jf7 s PRO 31 Cb -0.07 -1.95 0.44 0.00 0.04 0.00 0.00 34.50 32.96 1jf7 s PRO 31 CO 0.15 -1.23 1.06 0.00 0.04 0.00 0.00 177.00 177.02 1jf7 h ARG 33 N 2.72 1.14 -0.58 0.00 3.08 -1.93 -2.09 114.38 116.71 1jf7 h ARG 33 Ca 0.15 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1jf7 h ARG 33 Cb 1.03 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.80 1jf7 h ARG 33 CO 0.71 0.75 0.14 0.28 -1.07 0.00 0.00 179.97 180.79 1jf7 h VAL 34 N 1.17 1.25 -0.18 2.04 2.07 -1.92 -2.58 116.25 118.10 1jf7 h VAL 34 Ca 0.38 -0.90 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1jf7 h VAL 34 Cb 0.04 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 1jf7 h VAL 34 CO -0.12 0.33 0.02 0.00 0.02 0.00 0.00 177.57 177.82 1jf7 h ALA 35 N 1.03 1.71 -0.11 1.67 0.00 -1.68 -2.37 119.26 119.50 1jf7 h ALA 35 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jf7 h ALA 35 Cb 0.35 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jf7 h ALA 35 CO 0.00 0.23 0.00 1.63 0.00 0.00 0.00 179.25 181.11 1jf7 n LYS 36 N -4.41 1.71 -1.99 0.00 4.76 -0.95 -4.62 118.16 112.66 1jf7 n LYS 36 Ca -0.00 -1.05 -0.39 0.00 -2.87 0.00 0.00 58.31 53.99 1jf7 n LYS 36 Cb 0.16 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 1jf7 n LYS 36 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1jf7 s LEU 37 N -1.72 4.16 0.30 -0.35 1.02 -0.89 -4.89 118.68 116.30 1jf7 s LEU 37 Ca 0.34 2.71 0.06 0.00 0.02 0.00 0.00 54.13 57.26 1jf7 s LEU 37 Cb 0.19 -3.95 0.80 0.00 0.02 0.00 0.00 46.19 43.25 1jf7 s LEU 37 CO 0.29 -0.97 1.71 -0.65 0.02 0.00 0.00 176.35 176.75 1jf7 h PRO 38 N 2.49 0.48 0.00 1.29 0.11 -1.91 -0.76 132.00 133.70 1jf7 h PRO 38 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1jf7 h PRO 38 Cb 1.25 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1jf7 h PRO 38 CO 0.62 0.32 0.00 0.36 -0.21 0.00 0.00 178.00 179.09 1jf7 n LYS 39 N -4.96 0.17 -0.05 1.05 2.85 -1.26 -2.41 118.16 113.54 1jf7 n LYS 39 Ca 0.24 0.52 0.08 0.00 -1.05 0.00 0.00 58.31 58.11 1jf7 n LYS 39 Cb 0.69 -1.92 0.10 0.00 -0.65 0.00 0.00 35.03 33.25 1jf7 n LYS 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jf7 n ASN 40 N -2.25 2.53 -0.23 -5.58 3.02 -0.29 -4.63 115.26 107.82 1jf7 n ASN 40 Ca 0.00 -1.73 0.03 0.00 -0.03 0.00 0.00 54.58 52.86 1jf7 n ASN 40 Cb 0.14 -0.07 0.15 0.00 -0.61 0.00 0.00 39.78 39.39 1jf7 n ASN 40 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 1jf7 h LYS 41 N 3.05 0.27 -0.18 3.52 3.11 -1.50 0.28 116.57 125.11 1jf7 h LYS 41 Ca 0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1jf7 h LYS 41 Cb 0.69 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.86 1jf7 h LYS 41 CO 0.00 0.18 0.00 0.09 -2.81 0.00 0.00 179.45 176.91 1jf7 n ASN 42 N -5.14 0.90 -0.78 4.20 3.02 -1.26 -2.93 115.26 113.27 1jf7 n ASN 42 Ca 0.12 -2.00 0.09 0.00 -0.03 0.00 0.00 54.58 52.75 1jf7 n ASN 42 Cb 0.40 -0.12 0.11 0.00 -0.61 0.00 0.00 39.78 39.56 1jf7 n ASN 42 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1jf7 n ARG 43 N -0.02 1.75 -4.85 3.52 1.74 0.08 -4.92 116.66 113.97 1jf7 n ARG 43 Ca 0.06 -1.74 -0.33 0.00 -0.77 0.00 0.00 57.85 55.07 1jf7 n ARG 43 Cb 0.15 -1.36 -0.16 0.00 -1.02 0.00 0.00 32.46 30.07 1jf7 n ARG 43 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 1jf7 s ASN 44 N -1.39 3.46 0.14 0.55 0.01 -1.15 -4.39 114.94 112.17 1jf7 s ASN 44 Ca 0.24 -0.49 -0.14 0.00 -0.71 0.00 0.00 52.86 51.77 1jf7 s ASN 44 Cb 0.16 -1.50 0.00 0.00 0.41 0.00 0.00 41.25 40.32 1jf7 s ASN 44 CO 0.23 0.13 1.61 0.03 -1.51 0.00 0.00 177.10 177.59 1jf7 h ARG 45 N 6.95 0.77 -5.13 -0.60 3.08 -1.88 -3.43 114.38 114.14 1jf7 h ARG 45 Ca -0.26 -0.22 -0.59 0.00 0.07 0.00 0.00 59.98 58.97 1jf7 h ARG 45 Cb 1.21 -0.08 -0.32 0.00 0.08 0.00 0.00 29.97 30.86 1jf7 h ARG 45 CO 0.53 0.81 -0.85 0.71 -1.07 0.00 0.00 179.97 180.10 1jf7 s TYR 46 N -5.11 1.92 0.30 3.04 2.02 -1.26 -5.01 117.35 113.25 1jf7 s TYR 46 Ca -0.13 -0.68 0.31 0.00 -0.37 0.00 0.00 57.07 56.20 1jf7 s TYR 46 Cb 0.11 -1.32 1.44 0.00 -0.40 0.00 0.00 41.96 41.79 1jf7 s TYR 46 CO 0.80 -0.28 2.03 0.00 -1.57 0.00 0.00 175.55 176.54 1jf7 h ARG 47 N 6.59 0.00 -0.63 -0.62 3.08 -1.96 -1.20 114.38 119.65 1jf7 h ARG 47 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 1jf7 h ARG 47 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 1jf7 h ARG 47 CO 0.47 0.10 0.00 -0.40 -1.07 0.00 0.00 179.97 179.07 1jf7 n ASP 48 N -3.36 3.76 -4.05 7.04 5.75 -1.26 -4.79 116.55 119.64 1jf7 n ASP 48 Ca -0.01 -1.99 -0.32 0.00 -0.01 0.00 0.00 54.79 52.46 1jf7 n ASP 48 Cb 0.28 -0.42 -0.15 0.00 -1.03 0.00 0.00 41.12 39.80 1jf7 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1jf7 s VAL 49 N -1.09 2.04 0.03 2.12 1.01 -0.45 -5.06 120.40 119.00 1jf7 s VAL 49 Ca 0.44 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.93 1jf7 s VAL 49 Cb 0.24 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.43 1jf7 s VAL 49 CO 0.31 -0.01 -0.08 -0.44 0.00 0.00 0.00 175.10 174.88 1jf7 s SER 50 N 1.17 0.90 0.29 3.32 0.01 -1.26 -4.62 113.70 113.51 1jf7 s SER 50 Ca -0.08 -0.45 -0.28 0.00 1.31 0.00 0.00 55.95 56.45 1jf7 s SER 50 Cb -0.19 -0.00 -0.09 0.00 0.21 0.00 0.00 66.02 65.94 1jf7 s SER 50 CO -0.06 -0.12 1.02 -2.16 0.41 0.00 0.00 173.24 172.33 1jf7 s PRO 51 N -1.25 4.62 0.44 12.44 0.04 -1.26 -4.51 135.00 145.53 1jf7 s PRO 51 Ca -0.06 1.60 -0.24 0.00 0.04 0.00 0.00 61.00 62.33 1jf7 s PRO 51 Cb -0.08 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 31.33 1jf7 s PRO 51 CO 0.00 0.26 1.23 -0.06 0.04 0.00 0.00 177.00 178.47 1jf7 s PHE 52 N -1.31 2.82 0.32 0.56 0.08 -1.26 -4.54 117.98 114.65 1jf7 s PHE 52 Ca 0.46 1.49 0.06 0.00 0.12 0.00 0.00 56.93 59.06 1jf7 s PHE 52 Cb -0.27 -3.51 0.72 0.00 -0.57 0.00 0.00 43.02 39.39 1jf7 s PHE 52 CO 0.34 -1.80 1.82 -0.44 -0.10 0.00 0.00 175.22 175.04 1jf7 h ASP 53 N 2.25 0.78 0.99 1.36 3.32 -1.09 -2.52 116.42 121.51 1jf7 h ASP 53 Ca -0.49 0.06 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 1jf7 h ASP 53 Cb 1.25 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.71 1jf7 h ASP 53 CO 0.61 0.36 -0.22 1.12 -1.72 0.00 0.00 179.24 179.38 1jf7 h HIS 54 N 0.80 0.00 0.00 4.55 2.07 -1.92 -3.23 115.15 117.42 1jf7 h HIS 54 Ca 0.51 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.03 1jf7 h HIS 54 Cb 0.74 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.72 1jf7 h HIS 54 CO -0.00 0.22 -0.03 -1.13 -3.07 0.00 0.00 177.93 173.92 1jf7 n SER 55 N -3.36 1.76 -4.77 3.10 3.41 -1.16 -5.06 113.62 107.54 1jf7 n SER 55 Ca 0.00 -2.23 -0.36 0.00 -0.26 0.00 0.00 58.87 56.03 1jf7 n SER 55 Cb 0.44 -0.15 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 1jf7 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jf7 s ARG 56 N -1.41 3.64 -0.13 4.33 1.70 -0.96 -0.66 118.95 125.46 1jf7 s ARG 56 Ca 0.10 1.68 -0.26 0.00 -0.47 0.00 0.00 55.73 56.78 1jf7 s ARG 56 Cb 0.09 -2.25 -0.02 0.00 -0.57 0.00 0.00 34.95 32.20 1jf7 s ARG 56 CO 0.01 -0.63 0.86 0.42 -1.08 0.00 0.00 175.30 174.88 1jf7 s ILE 57 N -1.66 4.88 -0.18 4.99 -1.09 -0.88 -4.79 121.20 122.48 1jf7 s ILE 57 Ca 0.67 1.71 -0.16 0.00 -2.23 0.00 0.00 60.65 60.64 1jf7 s ILE 57 Cb -0.26 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 36.41 1jf7 s ILE 57 CO 0.31 0.06 0.39 -0.54 -1.23 0.00 0.00 174.94 173.92 1jf7 s LYS 58 N 1.89 4.23 0.49 2.79 1.02 -1.26 -4.12 119.74 124.77 1jf7 s LYS 58 Ca 0.41 0.22 -0.21 0.00 0.02 0.00 0.00 55.97 56.41 1jf7 s LYS 58 Cb -0.17 -3.49 -0.07 0.00 -0.52 0.00 0.00 37.83 33.58 1jf7 s LYS 58 CO 0.15 0.07 1.11 -0.51 -0.92 0.00 0.00 175.35 175.25 1jf7 s LEU 59 N 0.97 3.90 -1.38 3.17 1.43 0.48 -4.94 118.68 122.31 1jf7 s LEU 59 Ca 0.20 2.15 -0.06 0.00 -1.03 0.00 0.00 54.13 55.39 1jf7 s LEU 59 Cb -0.14 -4.42 0.08 0.00 0.03 0.00 0.00 46.19 41.74 1jf7 s LEU 59 CO 0.07 -0.95 2.48 1.41 0.23 0.00 0.00 176.35 179.60 1jf7 n HIS 60 N -0.83 2.57 -3.89 0.29 8.25 -1.26 -4.54 115.22 115.81 1jf7 n HIS 60 Ca 0.09 -2.87 -0.09 0.00 -0.26 0.00 0.00 57.72 54.59 1jf7 n HIS 60 Cb 0.50 -1.95 -0.08 0.00 1.12 0.00 0.00 29.99 29.58 1jf7 n HIS 60 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1jf7 s GLN 61 N -0.58 0.73 0.07 -0.41 1.03 -1.26 -5.06 119.66 114.17 1jf7 s GLN 61 Ca 0.57 -0.87 -0.16 0.00 0.04 0.00 0.00 55.36 54.94 1jf7 s GLN 61 Cb 0.18 0.29 -0.15 0.00 0.03 0.00 0.00 33.01 33.37 1jf7 s GLN 61 CO -0.09 -0.21 1.29 0.93 -2.54 0.00 0.00 175.29 174.67 1jf7 h GLU 62 N 3.14 0.60 -0.16 9.60 5.08 -2.03 -3.36 114.58 127.46 1jf7 h GLU 62 Ca -0.33 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 57.62 1jf7 h GLU 62 Cb 1.19 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1jf7 h GLU 62 CO 0.54 1.06 -0.51 0.22 -1.00 0.00 0.00 179.01 179.32 1jf7 h ASP 63 N 0.26 -1.64 -1.42 1.42 1.82 -1.99 -3.43 116.42 111.44 1jf7 h ASP 63 Ca -0.01 0.20 0.11 0.00 -0.39 0.00 0.00 57.03 56.93 1jf7 h ASP 63 Cb 1.10 0.64 -0.21 0.00 0.68 0.00 0.00 39.33 41.54 1jf7 h ASP 63 CO 0.10 -0.44 -0.11 0.21 -1.61 0.00 0.00 179.24 177.39 1jf7 s ASN 64 N -4.73 -1.11 0.00 2.28 3.84 -1.26 -5.06 114.94 108.91 1jf7 s ASN 64 Ca -0.14 1.15 0.18 0.00 0.21 0.00 0.00 52.86 54.26 1jf7 s ASN 64 Cb 0.07 2.11 0.68 0.00 -0.55 0.00 0.00 41.25 43.56 1jf7 s ASN 64 CO 0.57 -0.21 1.49 -0.90 -2.79 0.00 0.00 177.10 175.26 1jf7 n ASP 65 N 5.38 1.45 -4.66 -4.21 5.68 -1.26 -4.79 116.55 114.14 1jf7 n ASP 65 Ca -0.08 -1.74 -0.43 0.00 -0.50 0.00 0.00 54.79 52.05 1jf7 n ASP 65 Cb 0.50 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.34 1jf7 n ASP 65 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1jf7 s TYR 66 N -1.77 3.37 0.03 2.11 5.04 -1.26 -0.39 117.35 124.47 1jf7 s TYR 66 Ca 0.29 1.43 0.03 0.00 -2.44 0.00 0.00 57.07 56.38 1jf7 s TYR 66 Cb 0.15 -3.22 -0.02 0.00 0.35 0.00 0.00 41.96 39.23 1jf7 s TYR 66 CO 0.23 -0.42 -0.10 -1.50 -1.34 0.00 0.00 175.55 172.42 1jf7 s ILE 67 N 2.92 0.74 -1.02 3.14 2.07 -1.26 -4.95 121.20 122.84 1jf7 s ILE 67 Ca 0.43 -0.79 -0.23 0.00 -1.41 0.00 0.00 60.65 58.65 1jf7 s ILE 67 Cb -0.16 -0.69 0.05 0.00 0.13 0.00 0.00 42.46 41.79 1jf7 s ILE 67 CO 0.08 -0.07 1.44 0.21 -1.91 0.00 0.00 174.94 174.69 1jf7 s ASN 68 N -0.96 6.51 -0.25 4.50 3.84 -1.26 -4.64 114.94 122.68 1jf7 s ASN 68 Ca -0.02 -1.49 -0.26 0.00 0.21 0.00 0.00 52.86 51.31 1jf7 s ASN 68 Cb -0.07 -2.56 0.07 0.00 -0.55 0.00 0.00 41.25 38.14 1jf7 s ASN 68 CO 0.01 -1.49 0.72 0.00 -2.79 0.00 0.00 177.10 173.55 1jf7 s ALA 69 N 4.88 -1.78 -0.01 1.71 0.00 -1.26 -2.94 121.76 122.36 1jf7 s ALA 69 Ca 0.46 1.97 0.06 0.00 0.00 0.00 0.00 51.96 54.44 1jf7 s ALA 69 Cb -0.00 -1.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 1jf7 s ALA 69 CO -0.10 -0.34 -0.18 -1.12 0.00 0.00 0.00 175.76 174.02 1jf7 s SER 70 N 0.24 2.14 -0.55 0.00 0.01 0.32 -2.08 113.70 113.79 1jf7 s SER 70 Ca -0.01 -0.34 -0.26 0.00 1.31 0.00 0.00 55.95 56.65 1jf7 s SER 70 Cb -0.05 -0.23 0.04 0.00 0.21 0.00 0.00 66.02 65.99 1jf7 s SER 70 CO 0.02 0.22 1.04 -0.22 0.41 0.00 0.00 173.24 174.70 1jf7 s LEU 71 N -0.48 3.83 -0.40 2.44 2.96 0.17 -0.22 118.68 126.98 1jf7 s LEU 71 Ca 0.07 -0.11 -0.19 0.00 -0.22 0.00 0.00 54.13 53.67 1jf7 s LEU 71 Cb -0.07 -3.01 0.01 0.00 0.50 0.00 0.00 46.19 43.62 1jf7 s LEU 71 CO -0.01 -1.31 0.56 -0.63 -1.32 0.00 0.00 176.35 173.65 1jf7 s ILE 72 N 4.33 4.94 -0.45 6.68 1.09 0.67 -4.88 121.20 133.58 1jf7 s ILE 72 Ca 0.36 0.16 -0.06 0.00 -1.10 0.00 0.00 60.65 60.01 1jf7 s ILE 72 Cb -0.10 -4.08 0.12 0.00 -1.06 0.00 0.00 42.46 37.33 1jf7 s ILE 72 CO 0.23 -0.41 0.29 -0.75 -0.10 0.00 0.00 174.94 174.19 1jf7 s LYS 73 N 2.55 2.27 -0.91 2.79 2.20 -1.26 -1.35 119.74 126.03 1jf7 s LYS 73 Ca 0.20 -1.81 -0.18 0.00 -0.36 0.00 0.00 55.97 53.81 1jf7 s LYS 73 Cb -0.15 -3.78 0.14 0.00 -1.51 0.00 0.00 37.83 32.53 1jf7 s LYS 73 CO 0.16 -1.14 1.08 -1.64 -0.36 0.00 0.00 175.35 173.45 1jf7 s MET 74 N 1.23 3.58 0.08 4.03 -1.94 -0.02 -4.90 119.30 121.36 1jf7 s MET 74 Ca 0.07 -1.81 -0.35 0.00 -1.71 0.00 0.00 55.69 51.89 1jf7 s MET 74 Cb -0.25 -4.85 -0.17 0.00 2.01 0.00 0.00 34.83 31.58 1jf7 s MET 74 CO -0.02 -1.72 1.58 1.49 -0.01 0.00 0.00 175.02 176.33 1jf7 h GLU 75 N 8.75 -0.96 -0.61 2.03 4.81 -1.95 0.31 114.58 126.95 1jf7 h GLU 75 Ca 0.14 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.52 1jf7 h GLU 75 Cb 1.03 0.22 -0.07 0.00 0.63 0.00 0.00 28.75 30.56 1jf7 h GLU 75 CO 1.07 -0.64 0.24 1.49 -0.73 0.00 0.00 179.01 180.44 1jf7 h GLU 76 N -1.00 0.42 0.00 1.92 4.81 -1.96 -0.77 114.58 118.00 1jf7 h GLU 76 Ca -0.06 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1jf7 h GLU 76 Cb 0.85 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1jf7 h GLU 76 CO -0.02 0.28 0.00 0.00 -0.73 0.00 0.00 179.01 178.54 1jf7 n ALA 77 N -2.45 1.76 -3.60 2.92 0.00 -1.00 -4.90 120.51 113.24 1jf7 n ALA 77 Ca 0.09 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.28 1jf7 n ALA 77 Cb 0.27 -1.32 0.08 0.00 0.00 0.00 0.00 19.45 18.47 1jf7 n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jf7 n GLN 78 N -1.80 -7.98 -3.86 0.00 6.02 0.10 -4.92 117.38 104.94 1jf7 n GLN 78 Ca 0.03 0.83 -0.11 0.00 -0.01 0.00 0.00 57.00 57.74 1jf7 n GLN 78 Cb 0.22 -5.89 -0.11 0.00 1.02 0.00 0.00 30.24 25.48 1jf7 n GLN 78 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1jf7 s ARG 79 N -6.30 0.30 0.15 -1.09 3.52 -0.88 -4.96 118.95 109.70 1jf7 s ARG 79 Ca 0.58 -0.15 0.09 0.00 -0.13 0.00 0.00 55.73 56.12 1jf7 s ARG 79 Cb -0.26 0.13 -0.04 0.00 -1.56 0.00 0.00 34.95 33.22 1jf7 s ARG 79 CO 0.73 -0.06 -0.21 -1.12 -0.81 0.00 0.00 175.30 173.83 1jf7 s SER 80 N -0.71 2.88 0.02 -2.12 0.01 -1.26 -0.84 113.70 111.68 1jf7 s SER 80 Ca -0.08 -0.81 -0.01 0.00 1.31 0.00 0.00 55.95 56.36 1jf7 s SER 80 Cb -0.05 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 65.98 1jf7 s SER 80 CO 0.01 0.04 0.00 -0.31 0.41 0.00 0.00 173.24 173.39 1jf7 s TYR 81 N -1.66 0.25 -0.28 2.43 1.51 -0.46 -4.29 117.35 114.86 1jf7 s TYR 81 Ca 0.14 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.63 1jf7 s TYR 81 Cb -0.08 -0.19 0.02 0.00 -0.11 0.00 0.00 41.96 41.60 1jf7 s TYR 81 CO 0.07 -0.23 0.02 0.42 -1.11 0.00 0.00 175.55 174.71 1jf7 s ILE 82 N -1.78 3.48 -0.10 2.71 1.01 0.40 -0.24 121.20 126.68 1jf7 s ILE 82 Ca -0.13 -0.86 -0.11 0.00 0.00 0.00 0.00 60.65 59.55 1jf7 s ILE 82 Cb -0.07 -2.79 -0.05 0.00 0.01 0.00 0.00 42.46 39.56 1jf7 s ILE 82 CO -0.02 0.12 0.26 -0.76 0.00 0.00 0.00 174.94 174.54 1jf7 s LEU 83 N 1.42 4.36 0.02 2.97 1.43 0.70 -1.51 118.68 128.07 1jf7 s LEU 83 Ca 0.01 0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 53.65 1jf7 s LEU 83 Cb -0.17 -2.31 -0.00 0.00 0.03 0.00 0.00 46.19 43.73 1jf7 s LEU 83 CO -0.01 0.28 0.14 0.28 0.23 0.00 0.00 176.35 177.27 1jf7 s THR 84 N -0.52 0.10 0.78 5.49 -1.32 -0.80 0.12 115.64 119.49 1jf7 s THR 84 Ca 0.18 -0.83 -0.11 0.00 -1.21 0.00 0.00 61.69 59.72 1jf7 s THR 84 Cb -0.14 -0.64 0.06 0.00 -1.51 0.00 0.00 72.50 70.27 1jf7 s THR 84 CO 0.06 -0.46 1.10 0.00 -2.21 0.00 0.00 174.62 173.12 1jf7 s GLN 85 N -1.92 2.17 0.18 7.08 -2.07 -1.15 -3.46 119.66 120.49 1jf7 s GLN 85 Ca -0.10 1.24 -0.33 0.00 -1.82 0.00 0.00 55.36 54.34 1jf7 s GLN 85 Cb -0.05 -1.88 -0.14 0.00 -1.09 0.00 0.00 33.01 29.85 1jf7 s GLN 85 CO -0.01 -1.72 1.47 0.41 -1.32 0.00 0.00 175.29 174.12 1jf7 n GLY 86 N -0.97 0.86 3.76 2.60 0.00 0.04 -4.80 105.19 106.69 1jf7 n GLY 86 Ca 0.10 0.60 -0.38 0.00 0.00 0.00 0.00 46.02 46.34 1jf7 n GLY 86 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jf7 s PRO 87 N 0.37 3.34 0.53 1.61 0.02 -1.26 -4.78 135.00 134.83 1jf7 s PRO 87 Ca 0.76 2.19 -0.05 0.00 0.02 0.00 0.00 61.00 63.92 1jf7 s PRO 87 Cb -0.72 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.44 1jf7 s PRO 87 CO 0.44 -1.02 0.83 -0.51 -0.33 0.00 0.00 177.00 176.41 1jf7 s LEU 88 N -3.30 3.43 0.49 -5.54 1.43 -1.26 -1.55 118.68 112.38 1jf7 s LEU 88 Ca 0.68 0.76 0.29 0.00 -1.03 0.00 0.00 54.13 54.83 1jf7 s LEU 88 Cb -0.39 -3.64 1.37 0.00 0.03 0.00 0.00 46.19 43.56 1jf7 s LEU 88 CO 0.47 -0.84 1.82 -0.65 0.23 0.00 0.00 176.35 177.38 1jf7 h PRO 89 N 0.04 0.14 -0.45 1.29 0.11 -1.95 -1.14 132.00 130.03 1jf7 h PRO 89 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1jf7 h PRO 89 Cb 1.24 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1jf7 h PRO 89 CO 0.61 0.09 0.00 0.27 -0.21 0.00 0.00 178.00 178.76 1jf7 n ASN 90 N -4.36 3.53 -0.21 -2.05 6.94 -1.26 -4.33 115.26 113.52 1jf7 n ASN 90 Ca 0.23 -1.99 0.04 0.00 -0.02 0.00 0.00 54.58 52.84 1jf7 n ASN 90 Cb 1.03 -0.29 0.08 0.00 -2.36 0.00 0.00 39.78 38.23 1jf7 n ASN 90 CO 0.00 0.00 0.00 0.35 -1.03 0.00 0.00 177.26 176.58 1jf7 n THR 91 N 1.49 1.27 -0.11 5.53 -2.24 -0.44 -4.72 114.28 115.05 1jf7 n THR 91 Ca 0.20 -1.31 -0.09 0.00 -2.27 0.00 0.00 64.05 60.58 1jf7 n THR 91 Cb 0.60 0.30 -0.01 0.00 -2.10 0.00 0.00 70.33 69.12 1jf7 n THR 91 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jf7 h GLY 93 N 0.43 1.08 0.76 0.00 0.00 -1.91 -2.29 103.07 101.14 1jf7 h GLY 93 Ca 0.12 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1jf7 h GLY 93 CO -0.02 0.32 0.28 0.45 0.00 0.00 0.00 176.54 177.57 1jf7 h HIS 94 N 0.94 0.52 0.27 5.60 3.86 -1.74 0.28 115.15 124.88 1jf7 h HIS 94 Ca 0.30 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.53 1jf7 h HIS 94 Cb -0.00 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.30 1jf7 h HIS 94 CO -0.03 0.26 -0.23 0.35 0.86 0.00 0.00 177.93 179.14 1jf7 h PHE 95 N 0.55 -0.61 -0.07 2.45 3.04 -0.50 0.88 116.94 122.66 1jf7 h PHE 95 Ca 0.23 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 1jf7 h PHE 95 Cb 0.11 0.23 -0.01 0.00 2.56 0.00 0.00 35.95 38.84 1jf7 h PHE 95 CO -0.09 -0.35 -0.23 -1.49 -2.02 0.00 0.00 178.31 174.14 1jf7 h TRP 96 N -0.52 0.13 -0.64 0.41 4.06 -1.21 -1.45 115.95 116.73 1jf7 h TRP 96 Ca -0.01 -0.02 0.02 0.00 2.06 0.00 0.00 58.89 60.93 1jf7 h TRP 96 Cb 0.47 -0.04 -0.04 0.00 -1.00 0.00 0.00 29.16 28.56 1jf7 h TRP 96 CO -0.14 0.35 0.41 1.49 -3.56 0.00 0.00 178.44 176.98 1jf7 h GLU 97 N 0.11 0.80 -0.34 0.49 4.81 0.44 0.15 114.58 121.05 1jf7 h GLU 97 Ca 0.02 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1jf7 h GLU 97 Cb 0.47 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1jf7 h GLU 97 CO 0.03 0.53 0.05 1.98 -0.73 0.00 0.00 179.01 180.87 1jf7 h MET 98 N 0.82 0.56 -0.52 1.92 4.05 -0.47 0.10 114.93 121.39 1jf7 h MET 98 Ca 0.25 -0.15 0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1jf7 h MET 98 Cb -0.04 -0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.65 1jf7 h MET 98 CO -0.08 0.65 0.25 0.28 0.23 0.00 0.00 176.91 178.24 1jf7 h VAL 99 N 0.39 0.92 -0.06 -5.77 2.07 -0.94 0.41 116.25 113.28 1jf7 h VAL 99 Ca 0.10 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1jf7 h VAL 99 Cb 0.36 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1jf7 h VAL 99 CO 0.01 0.09 0.02 -0.25 0.02 0.00 0.00 177.57 177.45 1jf7 h TRP 100 N 0.48 0.09 -0.45 1.57 2.91 -0.76 -1.94 115.95 117.86 1jf7 h TRP 100 Ca 0.24 -0.01 -0.11 0.00 1.13 0.00 0.00 58.89 60.13 1jf7 h TRP 100 Cb 0.18 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.79 1jf7 h TRP 100 CO -0.11 0.27 -0.18 0.93 -1.03 0.00 0.00 178.44 178.32 1jf7 h GLU 101 N -0.11 0.87 -0.00 2.65 5.08 -0.20 -1.87 114.58 121.00 1jf7 h GLU 101 Ca 0.02 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1jf7 h GLU 101 Cb 0.22 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1jf7 h GLU 101 CO -0.00 0.98 -0.01 1.04 -1.00 0.00 0.00 179.01 180.01 1jf7 n GLN 102 N -4.13 0.40 -3.04 2.33 1.13 0.14 -4.92 117.38 109.29 1jf7 n GLN 102 Ca 0.01 -0.02 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1jf7 n GLN 102 Cb 0.42 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.31 1jf7 n GLN 102 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1jf7 n LYS 103 N -1.29 -5.01 -2.40 -1.09 5.02 -0.71 -3.91 118.16 108.77 1jf7 n LYS 103 Ca 0.13 0.86 -0.35 0.00 -2.02 0.00 0.00 58.31 56.94 1jf7 n LYS 103 Cb 0.25 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 29.59 1jf7 n LYS 103 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1jf7 s SER 104 N -2.79 6.14 -0.12 4.39 0.01 -0.79 -1.93 113.70 118.61 1jf7 s SER 104 Ca 0.32 2.08 0.17 0.00 1.31 0.00 0.00 55.95 59.83 1jf7 s SER 104 Cb -0.14 -2.58 -0.24 0.00 0.21 0.00 0.00 66.02 63.27 1jf7 s SER 104 CO 0.39 -0.92 0.31 -1.14 0.41 0.00 0.00 173.24 172.29 1jf7 n ARG 105 N -0.92 0.67 -4.26 12.44 3.00 -1.26 -4.89 116.66 121.43 1jf7 n ARG 105 Ca 0.09 0.06 -0.18 0.00 -0.00 0.00 0.00 57.85 57.82 1jf7 n ARG 105 Cb 0.51 -1.60 -0.13 0.00 0.00 0.00 0.00 32.46 31.23 1jf7 n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1jf7 s GLY 106 N -5.24 0.61 -0.14 5.14 0.00 -1.26 -0.43 107.32 106.01 1jf7 s GLY 106 Ca -0.08 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 43.98 1jf7 s GLY 106 CO 0.84 -0.66 -0.19 0.14 0.00 0.00 0.00 173.10 173.22 1jf7 s VAL 107 N -0.79 2.37 -0.26 1.40 1.01 0.55 -2.29 120.40 122.40 1jf7 s VAL 107 Ca -0.01 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.03 1jf7 s VAL 107 Cb -0.07 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1jf7 s VAL 107 CO 0.01 0.54 0.05 -0.69 0.00 0.00 0.00 175.10 175.00 1jf7 s VAL 108 N 0.71 3.99 -0.18 2.92 1.01 0.97 0.09 120.40 129.90 1jf7 s VAL 108 Ca -0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1jf7 s VAL 108 Cb -0.16 -2.92 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1jf7 s VAL 108 CO 0.01 0.27 -0.16 -0.32 0.00 0.00 0.00 175.10 174.90 1jf7 s MET 109 N 1.55 3.13 -0.04 2.72 0.00 0.11 -0.59 119.30 126.18 1jf7 s MET 109 Ca 0.05 -0.77 0.09 0.00 0.00 0.00 0.00 55.69 55.06 1jf7 s MET 109 Cb -0.16 -2.66 0.25 0.00 0.00 0.00 0.00 34.83 32.26 1jf7 s MET 109 CO 0.02 -0.13 1.20 1.28 0.00 0.00 0.00 175.02 177.38 1jf7 n LEU 110 N 4.46 2.75 -4.38 4.11 4.77 -0.82 -0.09 117.00 127.79 1jf7 n LEU 110 Ca -0.20 -2.28 -0.20 0.00 -0.03 0.00 0.00 56.01 53.31 1jf7 n LEU 110 Cb 0.51 -0.23 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 1jf7 n LEU 110 CO 0.27 0.65 -0.22 0.54 -1.33 0.00 0.00 177.39 177.30 1jf7 s ASN 111 N -1.34 1.77 0.12 -1.43 2.20 -1.26 -4.79 114.94 110.21 1jf7 s ASN 111 Ca 0.20 -1.50 0.03 0.00 -0.94 0.00 0.00 52.86 50.66 1jf7 s ASN 111 Cb 0.14 0.27 -0.04 0.00 -2.00 0.00 0.00 41.25 39.62 1jf7 s ASN 111 CO 0.09 -0.81 0.16 -0.13 -2.94 0.00 0.00 177.10 173.47 1jf7 s ARG 112 N -3.87 3.08 0.26 3.55 0.52 -1.26 -4.84 118.95 116.39 1jf7 s ARG 112 Ca 0.34 -0.70 -0.05 0.00 -0.52 0.00 0.00 55.73 54.81 1jf7 s ARG 112 Cb 0.06 -2.79 0.31 0.00 0.52 0.00 0.00 34.95 33.05 1jf7 s ARG 112 CO 0.16 0.53 1.90 -0.39 0.02 0.00 0.00 175.30 177.52 1jf7 h VAL 113 N 2.12 1.24 -3.33 3.52 -1.51 -1.94 -3.39 116.25 112.95 1jf7 h VAL 113 Ca -0.47 -0.55 -0.66 0.00 -1.23 0.00 0.00 66.70 63.78 1jf7 h VAL 113 Cb 1.18 0.04 -0.33 0.00 -2.13 0.00 0.00 31.29 30.05 1jf7 h VAL 113 CO 0.67 0.26 -0.87 -0.32 -1.23 0.00 0.00 177.57 176.08 1jf7 s MET 114 N -5.85 2.92 -0.13 5.19 -2.45 -1.26 0.03 119.30 117.75 1jf7 s MET 114 Ca -0.12 -0.83 0.00 0.00 -1.25 0.00 0.00 55.69 53.49 1jf7 s MET 114 Cb 0.17 -2.23 0.02 0.00 1.25 0.00 0.00 34.83 34.04 1jf7 s MET 114 CO 0.81 0.15 -0.11 -1.21 1.05 0.00 0.00 175.02 175.71 1jf7 s GLU 115 N 0.42 1.94 -1.53 4.11 2.02 -0.33 -4.82 118.70 120.51 1jf7 s GLU 115 Ca -0.17 -0.43 -0.10 0.00 0.02 0.00 0.00 54.97 54.28 1jf7 s GLU 115 Cb -0.18 -1.84 0.08 0.00 0.10 0.00 0.00 34.13 32.30 1jf7 s GLU 115 CO 0.08 -0.22 0.76 1.63 0.02 0.00 0.00 175.26 177.53 1jf7 n LYS 116 N 4.73 -4.25 -1.02 1.61 5.02 -1.26 -1.45 118.16 121.55 1jf7 n LYS 116 Ca -0.16 0.49 -0.01 0.00 -2.02 0.00 0.00 58.31 56.62 1jf7 n LYS 116 Cb 0.50 -5.12 -0.00 0.00 -0.02 0.00 0.00 35.03 30.39 1jf7 n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jf7 n GLY 117 N -1.66 0.47 3.03 0.72 0.00 -1.26 -5.01 105.19 101.48 1jf7 n GLY 117 Ca -0.07 -0.20 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 1jf7 n GLY 117 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jf7 s SER 118 N -2.20 1.96 0.05 1.61 0.15 -0.53 -5.10 113.70 109.64 1jf7 s SER 118 Ca 0.00 -0.33 -0.31 0.00 0.70 0.00 0.00 55.95 56.02 1jf7 s SER 118 Cb 0.00 -0.89 -0.07 0.00 -1.71 0.00 0.00 66.02 63.35 1jf7 s SER 118 CO 0.00 0.02 1.48 -0.22 1.20 0.00 0.00 173.24 175.72 1jf7 s LEU 119 N 0.79 4.34 -0.02 3.45 0.20 -1.26 -1.19 118.68 125.00 1jf7 s LEU 119 Ca -0.12 2.29 0.13 0.00 0.69 0.00 0.00 54.13 57.12 1jf7 s LEU 119 Cb -0.15 -3.57 -0.20 0.00 -0.43 0.00 0.00 46.19 41.84 1jf7 s LEU 119 CO 0.02 -0.76 0.28 0.29 -0.29 0.00 0.00 176.35 175.89 1jf7 n LYS 120 N 5.09 0.44 -3.61 1.98 4.76 0.10 -4.94 118.16 121.98 1jf7 n LYS 120 Ca 0.14 -0.11 -0.04 0.00 -2.87 0.00 0.00 58.31 55.42 1jf7 n LYS 120 Cb 0.42 -1.30 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 1jf7 n LYS 120 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jf7 s ALA 122 N -1.84 2.73 -1.01 0.00 0.00 -0.60 -4.68 121.76 116.36 1jf7 s ALA 122 Ca 0.08 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.79 1jf7 s ALA 122 Cb -0.01 -3.14 -0.01 0.00 0.00 0.00 0.00 23.12 19.96 1jf7 s ALA 122 CO -0.05 -1.17 1.77 -1.14 0.00 0.00 0.00 175.76 175.18 1jf7 s GLN 123 N -5.11 2.99 0.00 0.00 2.00 -1.26 -4.80 119.66 113.48 1jf7 s GLN 123 Ca 0.58 -0.80 0.28 0.00 -2.00 0.00 0.00 55.36 53.42 1jf7 s GLN 123 Cb -0.13 -5.22 1.11 0.00 0.80 0.00 0.00 33.01 29.57 1jf7 s GLN 123 CO 0.54 -3.00 1.78 2.48 -0.50 0.00 0.00 175.29 176.59 1jf7 n TYR 124 N 11.99 0.00 -4.12 1.67 4.11 -1.26 -4.87 117.16 124.68 1jf7 n TYR 124 Ca 0.39 0.00 -0.12 0.00 -0.00 0.00 0.00 57.90 58.17 1jf7 n TYR 124 Cb 0.48 -0.05 -0.11 0.00 -0.00 0.00 0.00 39.34 39.66 1jf7 n TYR 124 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 1jf7 s TRP 125 N -2.17 0.83 0.14 -3.48 -2.14 -1.26 -5.06 118.94 105.79 1jf7 s TRP 125 Ca 0.35 -0.68 -0.30 0.00 2.66 0.00 0.00 56.10 58.13 1jf7 s TRP 125 Cb 0.21 -0.48 -0.07 0.00 -3.10 0.00 0.00 33.47 30.02 1jf7 s TRP 125 CO 0.40 -0.09 1.21 -2.14 -2.66 0.00 0.00 176.95 173.67 1jf7 s PRO 126 N -2.62 4.46 0.00 3.25 0.02 -1.26 -4.93 135.00 133.91 1jf7 s PRO 126 Ca 0.01 1.85 0.27 0.00 0.02 0.00 0.00 61.00 63.15 1jf7 s PRO 126 Cb -0.03 -3.28 0.92 0.00 0.02 0.00 0.00 34.50 32.13 1jf7 s PRO 126 CO -0.02 -0.17 1.70 1.04 -0.33 0.00 0.00 177.00 179.22 1jf7 n GLN 127 N 3.13 0.05 -4.05 5.54 6.02 -1.26 -4.63 117.38 122.18 1jf7 n GLN 127 Ca 0.07 -0.02 -0.18 0.00 -0.01 0.00 0.00 57.00 56.86 1jf7 n GLN 127 Cb 0.45 -1.50 -0.16 0.00 1.02 0.00 0.00 30.24 30.05 1jf7 n GLN 127 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jf7 s LYS 128 N -2.96 0.53 0.32 -1.09 1.02 -1.26 -5.00 119.74 111.30 1jf7 s LYS 128 Ca 0.14 -0.02 0.09 0.00 0.02 0.00 0.00 55.97 56.20 1jf7 s LYS 128 Cb 0.18 -0.62 0.95 0.00 -0.52 0.00 0.00 37.83 37.83 1jf7 s LYS 128 CO 0.60 -0.09 1.62 0.93 -0.92 0.00 0.00 175.35 177.49 1jf7 h GLU 129 N 7.14 0.16 0.00 1.68 4.39 -1.88 -0.52 114.58 125.54 1jf7 h GLU 129 Ca -0.40 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.29 1jf7 h GLU 129 Cb 1.14 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1jf7 h GLU 129 CO 0.48 0.10 0.00 1.05 -1.16 0.00 0.00 179.01 179.48 1jf7 h GLU 130 N 0.16 0.00 -3.08 2.33 9.09 -1.95 -3.38 114.58 117.75 1jf7 h GLU 130 Ca 0.67 0.00 -0.62 0.00 0.05 0.00 0.00 59.36 59.46 1jf7 h GLU 130 Cb 1.52 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 28.20 1jf7 h GLU 130 CO -0.71 0.00 -0.58 0.15 0.05 0.00 0.00 179.01 177.91 1jf7 s LYS 131 N -3.34 2.42 0.71 1.06 1.02 -0.20 -5.07 119.74 116.34 1jf7 s LYS 131 Ca 0.06 -3.30 -0.14 0.00 0.02 0.00 0.00 55.97 52.61 1jf7 s LYS 131 Cb 0.09 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 34.05 1jf7 s LYS 131 CO 0.54 -1.28 1.12 -1.21 -0.92 0.00 0.00 175.35 173.60 1jf7 s GLU 132 N -1.39 2.48 -0.02 1.68 8.01 -1.26 -4.62 118.70 123.59 1jf7 s GLU 132 Ca 0.25 1.42 0.01 0.00 0.01 0.00 0.00 54.97 56.66 1jf7 s GLU 132 Cb -0.05 -1.91 -0.03 0.00 -4.31 0.00 0.00 34.13 27.83 1jf7 s GLU 132 CO -0.16 -1.50 -0.02 -1.64 0.01 0.00 0.00 175.26 171.95 1jf7 s MET 133 N -4.25 2.76 -0.10 1.61 -1.94 0.17 -4.93 119.30 112.62 1jf7 s MET 133 Ca 0.67 -0.60 0.03 0.00 -1.71 0.00 0.00 55.69 54.08 1jf7 s MET 133 Cb -0.21 -2.65 0.00 0.00 2.01 0.00 0.00 34.83 33.98 1jf7 s MET 133 CO 0.46 0.63 -0.21 0.42 -0.01 0.00 0.00 175.02 176.31 1jf7 s ILE 134 N -1.02 1.89 -0.53 2.53 1.01 -1.26 0.18 121.20 124.01 1jf7 s ILE 134 Ca 0.18 -0.91 -0.16 0.00 0.00 0.00 0.00 60.65 59.75 1jf7 s ILE 134 Cb -0.11 -1.65 0.11 0.00 0.01 0.00 0.00 42.46 40.81 1jf7 s ILE 134 CO 0.08 0.52 0.50 -0.36 0.00 0.00 0.00 174.94 175.68 1jf7 s PHE 135 N 0.49 3.21 0.16 3.97 0.08 0.99 -4.93 117.98 121.94 1jf7 s PHE 135 Ca -0.16 -1.11 -0.14 0.00 0.12 0.00 0.00 56.93 55.65 1jf7 s PHE 135 Cb -0.17 -3.64 0.05 0.00 -0.57 0.00 0.00 43.02 38.69 1jf7 s PHE 135 CO 0.06 -0.99 1.73 0.93 -0.10 0.00 0.00 175.22 176.85 1jf7 h GLU 136 N 8.90 0.76 -0.46 0.44 5.08 -1.97 0.75 114.58 128.07 1jf7 h GLU 136 Ca -0.29 -0.12 0.06 0.00 -1.00 0.00 0.00 59.36 58.01 1jf7 h GLU 136 Cb 1.10 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 1jf7 h GLU 136 CO 1.00 0.64 0.31 0.38 -1.00 0.00 0.00 179.01 180.34 1jf7 h ASP 137 N 0.70 0.32 -0.02 1.42 2.03 -1.97 -2.92 116.42 115.99 1jf7 h ASP 137 Ca 0.18 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.48 1jf7 h ASP 137 Cb 0.14 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1jf7 h ASP 137 CO -0.02 0.21 -0.17 0.35 -1.03 0.00 0.00 179.24 178.58 1jf7 n THR 138 N -4.47 0.00 -3.41 1.15 -2.24 -0.73 -4.98 114.28 99.59 1jf7 n THR 138 Ca 0.06 -0.41 -0.19 0.00 -2.27 0.00 0.00 64.05 61.23 1jf7 n THR 138 Cb 0.26 1.25 0.07 0.00 -2.10 0.00 0.00 70.33 69.82 1jf7 n THR 138 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1jf7 n ASN 139 N 0.34 -4.81 -4.32 3.42 5.15 0.18 -4.91 115.26 110.31 1jf7 n ASN 139 Ca 0.08 -0.50 -0.26 0.00 -0.60 0.00 0.00 54.58 53.30 1jf7 n ASN 139 Cb 0.36 -4.53 -0.13 0.00 -0.53 0.00 0.00 39.78 34.95 1jf7 n ASN 139 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1jf7 s LEU 140 N -6.37 2.28 0.07 1.20 1.43 -1.07 -1.11 118.68 115.11 1jf7 s LEU 140 Ca 0.37 -0.68 0.09 0.00 -1.03 0.00 0.00 54.13 52.88 1jf7 s LEU 140 Cb -0.16 -1.04 -0.03 0.00 0.03 0.00 0.00 46.19 44.99 1jf7 s LEU 140 CO 0.64 0.13 -0.24 -0.75 0.23 0.00 0.00 176.35 176.36 1jf7 s LYS 141 N -1.83 1.49 -0.03 1.70 2.20 -0.36 -0.00 119.74 122.91 1jf7 s LYS 141 Ca 0.10 -1.11 0.01 0.00 -0.36 0.00 0.00 55.97 54.60 1jf7 s LYS 141 Cb -0.10 -1.72 0.03 0.00 -1.51 0.00 0.00 37.83 34.52 1jf7 s LYS 141 CO 0.04 0.43 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.28 1jf7 s LEU 142 N -1.47 1.20 -0.05 5.43 2.96 0.49 -0.20 118.68 127.04 1jf7 s LEU 142 Ca 0.10 -0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 1jf7 s LEU 142 Cb -0.10 -0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.31 1jf7 s LEU 142 CO 0.03 -0.09 -0.15 -0.89 -1.32 0.00 0.00 176.35 173.93 1jf7 s THR 143 N 1.01 1.28 -0.32 3.68 2.01 -0.04 0.43 115.64 123.69 1jf7 s THR 143 Ca -0.10 -0.61 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 1jf7 s THR 143 Cb -0.14 -1.13 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1jf7 s THR 143 CO -0.01 0.38 1.23 -0.22 -0.69 0.00 0.00 174.62 175.30 1jf7 s LEU 144 N 0.25 3.88 -0.10 4.42 2.96 -1.26 -0.95 118.68 127.88 1jf7 s LEU 144 Ca -0.08 1.11 -0.13 0.00 -0.22 0.00 0.00 54.13 54.81 1jf7 s LEU 144 Cb -0.13 -3.54 -0.27 0.00 0.50 0.00 0.00 46.19 42.75 1jf7 s LEU 144 CO 0.03 -1.04 0.52 0.40 -1.32 0.00 0.00 176.35 174.94 1jf7 h ILE 145 N 5.92 0.92 -2.37 6.68 1.08 -1.52 -3.36 117.51 124.85 1jf7 h ILE 145 Ca -0.24 -2.40 0.04 0.00 -0.39 0.00 0.00 64.86 61.87 1jf7 h ILE 145 Cb 1.08 2.65 -0.16 0.00 -3.07 0.00 0.00 36.82 37.33 1jf7 h ILE 145 CO 1.04 0.76 0.36 -0.55 -0.69 0.00 0.00 178.15 179.07 1jf7 s SER 146 N -7.08 -0.48 -0.16 1.72 0.15 -0.96 -4.99 113.70 101.90 1jf7 s SER 146 Ca -0.20 0.16 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 1jf7 s SER 146 Cb 0.05 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.89 1jf7 s SER 146 CO 0.78 -0.69 0.38 -0.70 1.20 0.00 0.00 173.24 174.20 1jf7 s GLU 147 N -2.76 0.33 -0.25 5.44 2.12 -1.26 0.33 118.70 122.65 1jf7 s GLU 147 Ca 0.00 0.81 0.01 0.00 0.36 0.00 0.00 54.97 56.15 1jf7 s GLU 147 Cb -0.01 0.04 0.05 0.00 0.26 0.00 0.00 34.13 34.47 1jf7 s GLU 147 CO -0.06 -0.19 -0.10 0.34 -0.54 0.00 0.00 175.26 174.71 1jf7 s ASP 148 N 1.74 4.28 -0.13 -1.70 3.68 0.11 -5.00 116.67 119.65 1jf7 s ASP 148 Ca -0.07 -1.18 -0.17 0.00 2.13 0.00 0.00 52.55 53.27 1jf7 s ASP 148 Cb -0.10 -1.58 -0.04 0.00 -1.45 0.00 0.00 42.92 39.75 1jf7 s ASP 148 CO -0.12 -0.16 0.42 -0.63 0.13 0.00 0.00 175.17 174.81 1jf7 s ILE 149 N 1.19 5.23 0.29 4.11 1.01 -1.26 -1.01 121.20 130.75 1jf7 s ILE 149 Ca -0.05 0.83 0.01 0.00 0.00 0.00 0.00 60.65 61.43 1jf7 s ILE 149 Cb -0.18 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.53 1jf7 s ILE 149 CO -0.06 0.34 0.05 0.29 0.00 0.00 0.00 174.94 175.56 1jf7 n LYS 150 N 3.66 1.26 -0.06 2.79 4.01 0.93 -4.99 118.16 125.75 1jf7 n LYS 150 Ca -0.09 -2.03 -0.11 0.00 -0.51 0.00 0.00 58.31 55.58 1jf7 n LYS 150 Cb 0.52 0.48 -0.05 0.00 -0.51 0.00 0.00 35.03 35.47 1jf7 n LYS 150 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1jf7 h SER 151 N 0.61 0.31 -0.01 4.39 4.64 -2.03 -3.31 113.55 118.15 1jf7 h SER 151 Ca -0.23 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1jf7 h SER 151 Cb 0.71 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1jf7 h SER 151 CO 0.37 0.48 -0.16 0.00 -0.87 0.00 0.00 176.83 176.65 1jf7 n TYR 152 N -4.76 0.00 -3.87 4.77 4.11 -1.26 -4.89 117.16 111.26 1jf7 n TYR 152 Ca -0.04 0.00 -0.09 0.00 -0.00 0.00 0.00 57.90 57.76 1jf7 n TYR 152 Cb 0.18 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.47 1jf7 n TYR 152 CO 0.00 0.00 0.00 1.52 -0.00 0.00 0.00 176.86 178.38 1jf7 s TYR 153 N -1.26 0.16 -0.02 -3.48 1.13 -1.25 -2.41 117.35 110.23 1jf7 s TYR 153 Ca 0.10 -0.51 0.02 0.00 -1.41 0.00 0.00 57.07 55.26 1jf7 s TYR 153 Cb 0.08 0.19 0.00 0.00 -1.10 0.00 0.00 41.96 41.13 1jf7 s TYR 153 CO 0.23 -0.86 -0.08 0.99 -2.51 0.00 0.00 175.55 173.32 1jf7 s THR 154 N -3.93 0.66 -0.12 -3.49 2.01 0.01 -0.05 115.64 110.73 1jf7 s THR 154 Ca 0.14 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.84 1jf7 s THR 154 Cb 0.01 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.92 1jf7 s THR 154 CO 0.00 0.20 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.28 1jf7 s VAL 155 N 0.07 2.68 0.06 3.82 1.01 -0.18 -0.51 120.40 127.36 1jf7 s VAL 155 Ca -0.01 -0.79 0.08 0.00 0.00 0.00 0.00 61.98 61.26 1jf7 s VAL 155 Cb -0.06 -2.10 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 1jf7 s VAL 155 CO 0.00 0.53 -0.22 -0.13 0.00 0.00 0.00 175.10 175.28 1jf7 s ARG 156 N 0.40 1.39 -0.26 2.72 0.52 -0.13 0.04 118.95 123.64 1jf7 s ARG 156 Ca -0.13 -1.04 -0.11 0.00 -0.52 0.00 0.00 55.73 53.94 1jf7 s ARG 156 Cb -0.17 -1.58 -0.05 0.00 0.52 0.00 0.00 34.95 33.68 1jf7 s ARG 156 CO 0.06 0.39 0.17 -1.14 0.02 0.00 0.00 175.30 174.80 1jf7 s GLN 157 N -1.40 3.98 0.05 3.54 0.74 0.15 -0.87 119.66 125.84 1jf7 s GLN 157 Ca 0.08 -0.31 0.08 0.00 0.05 0.00 0.00 55.36 55.26 1jf7 s GLN 157 Cb -0.09 -3.59 -0.03 0.00 1.10 0.00 0.00 33.01 30.40 1jf7 s GLN 157 CO 0.03 -0.08 -0.22 -0.51 -0.55 0.00 0.00 175.29 173.95 1jf7 s LEU 158 N 1.46 2.17 -0.27 3.68 1.43 -0.02 -1.21 118.68 125.92 1jf7 s LEU 158 Ca 0.07 -0.55 -0.07 0.00 -1.03 0.00 0.00 54.13 52.55 1jf7 s LEU 158 Cb -0.15 -1.07 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 1jf7 s LEU 158 CO 0.08 0.19 0.06 -0.70 0.23 0.00 0.00 176.35 176.21 1jf7 s GLU 159 N -1.24 3.27 -0.19 1.70 2.12 -0.12 0.10 118.70 124.33 1jf7 s GLU 159 Ca 0.09 -0.73 -0.08 0.00 0.36 0.00 0.00 54.97 54.60 1jf7 s GLU 159 Cb -0.09 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1jf7 s GLU 159 CO 0.02 -0.35 0.09 -1.17 -0.54 0.00 0.00 175.26 173.31 1jf7 s LEU 160 N 1.53 3.96 -0.20 2.70 2.96 -0.50 -0.86 118.68 128.26 1jf7 s LEU 160 Ca 0.04 0.13 0.01 0.00 -0.22 0.00 0.00 54.13 54.09 1jf7 s LEU 160 Cb -0.16 -2.01 0.04 0.00 0.50 0.00 0.00 46.19 44.55 1jf7 s LEU 160 CO 0.02 0.17 -0.13 -0.70 -1.32 0.00 0.00 176.35 174.39 1jf7 s GLU 161 N 0.42 2.29 -0.60 1.98 2.12 0.73 -0.29 118.70 125.34 1jf7 s GLU 161 Ca 0.05 -0.91 -0.26 0.00 0.36 0.00 0.00 54.97 54.21 1jf7 s GLU 161 Cb -0.12 -2.51 -0.03 0.00 0.26 0.00 0.00 34.13 31.73 1jf7 s GLU 161 CO -0.00 -0.39 2.00 1.21 -0.54 0.00 0.00 175.26 177.53 1jf7 s ASN 162 N 1.33 5.05 -0.75 -1.70 3.84 -0.61 -1.22 114.94 120.89 1jf7 s ASN 162 Ca -0.01 0.45 -0.22 0.00 0.21 0.00 0.00 52.86 53.29 1jf7 s ASN 162 Cb -0.16 -2.52 -0.16 0.00 -0.55 0.00 0.00 41.25 37.85 1jf7 s ASN 162 CO -0.09 -2.53 1.92 0.18 -2.79 0.00 0.00 177.10 173.78 1jf7 n LEU 163 N 13.62 3.97 0.00 3.21 4.77 -0.27 -1.03 117.00 141.27 1jf7 n LEU 163 Ca 0.25 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.38 1jf7 n LEU 163 Cb 0.52 -1.10 0.00 0.00 -2.33 0.00 0.00 43.42 40.51 1jf7 n LEU 163 CO 0.70 -0.45 0.00 0.41 -1.33 0.00 0.00 177.39 176.73 1jf7 n THR 164 N 6.07 0.00 -0.14 -5.08 -1.04 -1.26 -4.80 114.28 108.03 1jf7 n THR 164 Ca 0.49 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.50 1jf7 n THR 164 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1jf7 n THR 164 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jf7 n THR 165 N -0.09 0.00 -0.62 12.58 -2.24 -0.85 -4.95 114.28 118.11 1jf7 n THR 165 Ca 0.00 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 1jf7 n THR 165 Cb 0.00 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1jf7 n THR 165 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jf7 n GLN 166 N -0.36 -1.94 -1.06 -0.78 6.02 -0.19 -4.92 117.38 114.15 1jf7 n GLN 166 Ca 0.00 0.30 -0.32 0.00 -0.01 0.00 0.00 57.00 56.97 1jf7 n GLN 166 Cb 0.03 -4.04 0.13 0.00 1.02 0.00 0.00 30.24 27.38 1jf7 n GLN 166 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1jf7 s GLU 167 N -1.24 1.65 -0.04 -1.09 2.02 -1.24 -4.86 118.70 113.91 1jf7 s GLU 167 Ca 0.00 1.54 -0.07 0.00 0.02 0.00 0.00 54.97 56.46 1jf7 s GLU 167 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1jf7 s GLU 167 CO 0.00 -2.16 0.17 0.95 0.02 0.00 0.00 175.26 174.23 1jf7 s THR 168 N -2.49 0.04 0.05 3.63 -4.23 -1.26 -1.57 115.64 109.81 1jf7 s THR 168 Ca 0.68 -0.31 0.06 0.00 -1.18 0.00 0.00 61.69 60.94 1jf7 s THR 168 Cb -0.24 -0.35 -0.02 0.00 1.34 0.00 0.00 72.50 73.24 1jf7 s THR 168 CO 0.53 -0.17 -0.17 -0.13 -0.54 0.00 0.00 174.62 174.14 1jf7 s ARG 169 N -0.58 1.10 -0.24 3.99 0.52 0.60 -4.98 118.95 119.36 1jf7 s ARG 169 Ca -0.07 -0.86 -0.22 0.00 -0.52 0.00 0.00 55.73 54.06 1jf7 s ARG 169 Cb -0.04 -1.17 -0.01 0.00 0.52 0.00 0.00 34.95 34.25 1jf7 s ARG 169 CO 0.01 0.29 0.72 -2.00 0.02 0.00 0.00 175.30 174.34 1jf7 s GLU 170 N -1.22 4.16 -0.15 3.54 2.12 -1.26 -1.41 118.70 124.47 1jf7 s GLU 170 Ca 0.04 0.73 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 1jf7 s GLU 170 Cb -0.08 -3.63 -0.03 0.00 0.26 0.00 0.00 34.13 30.64 1jf7 s GLU 170 CO 0.02 -0.43 -0.01 0.42 -0.54 0.00 0.00 175.26 174.72 1jf7 s ILE 171 N 2.54 4.14 -0.13 -3.70 -1.09 0.11 -4.88 121.20 118.19 1jf7 s ILE 171 Ca 0.30 -0.27 -0.18 0.00 -2.23 0.00 0.00 60.65 58.27 1jf7 s ILE 171 Cb -0.15 -2.82 -0.04 0.00 -1.58 0.00 0.00 42.46 37.87 1jf7 s ILE 171 CO 0.08 0.50 0.48 -0.76 -1.23 0.00 0.00 174.94 174.01 1jf7 s LEU 172 N 0.21 4.25 -0.32 2.97 1.43 0.43 -0.84 118.68 126.82 1jf7 s LEU 172 Ca -0.00 0.78 -0.06 0.00 -1.03 0.00 0.00 54.13 53.82 1jf7 s LEU 172 Cb -0.13 -2.69 0.03 0.00 0.03 0.00 0.00 46.19 43.43 1jf7 s LEU 172 CO 0.02 -0.03 0.08 -2.28 0.23 0.00 0.00 176.35 174.37 1jf7 s HIS 173 N 0.79 3.21 -0.38 0.29 2.46 -0.05 -0.33 115.29 121.28 1jf7 s HIS 173 Ca 0.25 -1.32 -0.15 0.00 0.47 0.00 0.00 55.06 54.32 1jf7 s HIS 173 Cb -0.15 -2.24 0.00 0.00 -0.13 0.00 0.00 32.58 30.06 1jf7 s HIS 173 CO 0.10 -0.69 0.32 -0.06 -2.47 0.00 0.00 174.74 171.95 1jf7 s PHE 174 N 1.42 3.22 -0.32 3.88 0.08 0.11 -0.95 117.98 125.42 1jf7 s PHE 174 Ca -0.00 -0.30 -0.05 0.00 0.12 0.00 0.00 56.93 56.69 1jf7 s PHE 174 Cb -0.19 -2.64 0.03 0.00 -0.57 0.00 0.00 43.02 39.66 1jf7 s PHE 174 CO 0.02 -0.51 0.07 -1.58 -0.10 0.00 0.00 175.22 173.12 1jf7 s HIS 175 N 1.86 3.22 -0.54 0.36 2.46 0.34 0.09 115.29 123.07 1jf7 s HIS 175 Ca 0.08 -1.43 -0.24 0.00 0.47 0.00 0.00 55.06 53.94 1jf7 s HIS 175 Cb -0.18 -2.22 0.04 0.00 -0.13 0.00 0.00 32.58 30.09 1jf7 s HIS 175 CO 0.11 -0.72 0.91 -0.47 -2.47 0.00 0.00 174.74 172.11 1jf7 s TYR 176 N 1.39 2.82 -2.08 3.88 6.14 0.86 -0.81 117.35 129.55 1jf7 s TYR 176 Ca -0.01 -0.06 0.25 0.00 0.64 0.00 0.00 57.07 57.88 1jf7 s TYR 176 Cb -0.19 -4.02 0.37 0.00 0.42 0.00 0.00 41.96 38.54 1jf7 s TYR 176 CO 0.02 -1.32 1.33 0.25 0.64 0.00 0.00 175.55 176.47 1jf7 n THR 177 N 6.14 0.00 -0.78 4.34 -2.24 -1.01 -4.10 114.28 116.64 1jf7 n THR 177 Ca 0.01 -0.24 0.07 0.00 -2.27 0.00 0.00 64.05 61.62 1jf7 n THR 177 Cb 0.47 0.92 0.11 0.00 -2.10 0.00 0.00 70.33 69.74 1jf7 n THR 177 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jf7 n THR 178 N -0.08 1.67 -1.68 4.28 -2.24 -1.17 -4.93 114.28 110.14 1jf7 n THR 178 Ca 0.12 -1.89 -0.44 0.00 -2.27 0.00 0.00 64.05 59.56 1jf7 n THR 178 Cb 0.43 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1jf7 n THR 178 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1jf7 n TRP 179 N -1.09 2.26 -2.13 4.78 -0.00 -1.26 -4.89 117.44 115.10 1jf7 n TRP 179 Ca 0.12 0.40 -0.34 0.00 -0.00 0.00 0.00 57.50 57.68 1jf7 n TRP 179 Cb 0.56 -2.48 0.01 0.00 -0.00 0.00 0.00 31.31 29.39 1jf7 n TRP 179 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 1jf7 s PRO 180 N -0.34 3.27 0.19 5.87 0.04 -1.26 -4.96 135.00 137.81 1jf7 s PRO 180 Ca 0.68 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 63.07 1jf7 s PRO 180 Cb -0.63 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.02 1jf7 s PRO 180 CO 0.49 -0.89 1.78 -0.44 0.04 0.00 0.00 177.00 177.98 1jf7 h ASP 181 N 0.81 0.93 -3.32 6.66 3.32 -2.00 -3.42 116.42 119.41 1jf7 h ASP 181 Ca -0.49 -0.14 -0.65 0.00 0.02 0.00 0.00 57.03 55.77 1jf7 h ASP 181 Cb 1.24 -0.24 -0.26 0.00 0.22 0.00 0.00 39.33 40.29 1jf7 h ASP 181 CO 0.57 0.82 -0.74 -0.36 -1.72 0.00 0.00 179.24 177.80 1jf7 s PHE 182 N -5.66 2.87 0.00 4.55 0.08 -1.26 -5.05 117.98 113.51 1jf7 s PHE 182 Ca -0.13 -0.65 0.00 0.00 0.12 0.00 0.00 56.93 56.27 1jf7 s PHE 182 Cb 0.14 -1.91 0.00 0.00 -0.57 0.00 0.00 43.02 40.68 1jf7 s PHE 182 CO 0.81 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 176.09 1jf7 n GLY 183 N 3.76 0.21 3.45 4.36 0.00 -1.26 -4.91 105.19 110.81 1jf7 n GLY 183 Ca -0.18 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.67 1jf7 n GLY 183 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jf7 s VAL 184 N 0.00 1.89 0.38 1.61 -7.23 -1.26 -4.75 120.40 111.04 1jf7 s VAL 184 Ca 0.00 -2.18 -0.26 0.00 -1.81 0.00 0.00 61.98 57.73 1jf7 s VAL 184 Cb 0.00 -2.45 -0.11 0.00 0.56 0.00 0.00 36.38 34.38 1jf7 s VAL 184 CO 0.00 -0.31 1.09 -2.65 -0.31 0.00 0.00 175.10 172.92 1jf7 n PRO 185 N -0.62 1.57 -0.13 4.82 -0.02 -1.26 -4.91 135.00 134.45 1jf7 n PRO 185 Ca -0.06 0.56 -0.09 0.00 -2.02 0.00 0.00 63.50 61.89 1jf7 n PRO 185 Cb 0.63 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1jf7 n PRO 185 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1jf7 h GLU 186 N 1.89 0.56 -6.68 -0.52 -0.00 -2.00 -3.42 114.58 104.40 1jf7 h GLU 186 Ca -0.44 -0.08 -0.69 0.00 -0.00 0.00 0.00 59.36 58.15 1jf7 h GLU 186 Cb 1.32 -0.10 -0.25 0.00 -0.00 0.00 0.00 28.75 29.72 1jf7 h GLU 186 CO 0.59 0.48 -0.86 0.45 -0.00 0.00 0.00 179.01 179.68 1jf7 s SER 187 N -5.74 3.37 0.12 3.06 0.15 -1.26 -5.03 113.70 108.37 1jf7 s SER 187 Ca -0.13 -0.53 0.27 0.00 0.70 0.00 0.00 55.95 56.25 1jf7 s SER 187 Cb 0.10 -0.40 0.88 0.00 -1.71 0.00 0.00 66.02 64.89 1jf7 s SER 187 CO 0.74 0.26 1.76 -0.81 1.20 0.00 0.00 173.24 176.39 1jf7 n PRO 188 N 1.73 0.17 -0.40 5.44 -0.04 -1.26 -4.38 135.00 136.26 1jf7 n PRO 188 Ca -0.17 0.12 -0.08 0.00 -0.04 0.00 0.00 63.50 63.33 1jf7 n PRO 188 Cb 0.52 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.24 1jf7 n PRO 188 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jf7 n ALA 189 N -1.68 -0.48 -0.27 0.55 0.00 -1.26 -0.41 120.51 116.96 1jf7 n ALA 189 Ca 0.06 0.87 -0.04 0.00 0.00 0.00 0.00 53.44 54.33 1jf7 n ALA 189 Cb 0.40 -0.22 0.13 0.00 0.00 0.00 0.00 19.45 19.75 1jf7 n ALA 189 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1jf7 h SER 190 N 0.00 1.02 -0.43 0.00 0.02 -2.00 0.50 113.55 112.66 1jf7 h SER 190 Ca 0.21 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1jf7 h SER 190 Cb 0.45 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1jf7 h SER 190 CO -0.93 0.86 0.18 0.15 -1.14 0.00 0.00 176.83 175.95 1jf7 h PHE 191 N 1.11 0.64 -0.60 3.45 3.57 -0.99 -2.01 116.94 122.11 1jf7 h PHE 191 Ca 0.27 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.67 1jf7 h PHE 191 Cb 0.11 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 1jf7 h PHE 191 CO 0.01 0.55 0.16 -0.07 -2.23 0.00 0.00 178.31 176.74 1jf7 h LEU 192 N 0.55 0.89 -0.55 0.59 3.38 -0.31 -0.86 115.31 118.99 1jf7 h LEU 192 Ca 0.14 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1jf7 h LEU 192 Cb 0.18 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 1jf7 h LEU 192 CO -0.01 0.88 0.28 -1.13 0.09 0.00 0.00 178.44 178.54 1jf7 h ASN 193 N 0.86 0.39 -0.35 -0.43 -0.00 -0.78 0.22 115.58 115.50 1jf7 h ASN 193 Ca 0.19 0.03 -0.00 0.00 -0.00 0.00 0.00 56.30 56.52 1jf7 h ASN 193 Cb 0.32 -0.04 -0.02 0.00 -0.00 0.00 0.00 38.32 38.59 1jf7 h ASN 193 CO -0.00 0.26 0.20 0.15 -0.00 0.00 0.00 177.43 178.04 1jf7 h PHE 194 N 0.53 0.46 -0.55 0.67 3.57 -1.14 0.10 116.94 120.59 1jf7 h PHE 194 Ca 0.25 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.77 1jf7 h PHE 194 Cb 0.17 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.73 1jf7 h PHE 194 CO -0.11 0.34 0.33 1.25 -2.23 0.00 0.00 178.31 177.90 1jf7 h LEU 195 N 0.44 0.54 -0.66 0.59 6.46 -0.54 -1.32 115.31 120.82 1jf7 h LEU 195 Ca 0.12 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1jf7 h LEU 195 Cb 0.02 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 39.81 1jf7 h LEU 195 CO -0.02 0.38 0.29 -0.26 -0.62 0.00 0.00 178.44 178.20 1jf7 h PHE 196 N 0.66 0.99 -0.64 1.25 0.04 -0.13 0.42 116.94 119.52 1jf7 h PHE 196 Ca 0.22 -0.06 0.03 0.00 2.80 0.00 0.00 57.97 60.95 1jf7 h PHE 196 Cb 0.02 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.83 1jf7 h PHE 196 CO -0.06 0.76 0.40 -0.22 -0.60 0.00 0.00 178.31 178.59 1jf7 h LYS 197 N 0.93 0.76 -0.27 1.51 1.63 -0.29 0.26 116.57 121.10 1jf7 h LYS 197 Ca 0.22 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1jf7 h LYS 197 Cb 0.17 -0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1jf7 h LYS 197 CO -0.02 0.50 0.18 0.28 -3.45 0.00 0.00 179.45 176.94 1jf7 h VAL 198 N 0.78 1.07 -0.55 2.00 2.07 -0.65 -1.95 116.25 119.03 1jf7 h VAL 198 Ca 0.26 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.68 1jf7 h VAL 198 Cb 0.01 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 1jf7 h VAL 198 CO -0.10 0.07 0.32 0.03 0.02 0.00 0.00 177.57 177.91 1jf7 h ARG 199 N 0.37 0.61 0.00 1.57 3.08 -0.53 -2.88 114.38 116.59 1jf7 h ARG 199 Ca 0.10 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 1jf7 h ARG 199 Cb -0.04 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 29.87 1jf7 h ARG 199 CO -0.02 0.40 -0.15 0.93 -1.07 0.00 0.00 179.97 180.06 1jf7 h GLU 200 N 0.62 0.00 0.00 0.04 5.08 -0.10 -2.77 114.58 117.45 1jf7 h GLU 200 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1jf7 h GLU 200 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1jf7 h GLU 200 CO -0.12 0.15 0.00 -1.13 -1.00 0.00 0.00 179.01 176.91 1jf7 n SER 201 N -3.83 0.53 0.00 1.42 3.41 -0.77 -4.88 113.62 109.49 1jf7 n SER 201 Ca -0.02 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1jf7 n SER 201 Cb 0.25 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.48 1jf7 n SER 201 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jf7 n GLY 202 N 0.58 3.22 0.40 5.00 0.00 -1.05 -4.94 105.19 108.41 1jf7 n GLY 202 Ca 0.04 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.27 1jf7 n GLY 202 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1jf7 h SER 203 N 0.00 0.00 -0.05 1.61 0.02 -1.80 -1.63 113.55 111.69 1jf7 h SER 203 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jf7 h SER 203 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1jf7 h SER 203 CO 0.00 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.87 1jf7 n LEU 204 N -3.59 2.78 -4.76 5.07 4.77 -1.26 -4.37 117.00 115.64 1jf7 n LEU 204 Ca 0.09 -1.04 -0.37 0.00 -0.03 0.00 0.00 56.01 54.65 1jf7 n LEU 204 Cb 0.74 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.84 1jf7 n LEU 204 CO 0.26 0.49 0.91 -0.55 -1.33 0.00 0.00 177.39 177.16 1jf7 s SER 205 N -1.71 5.48 0.41 -1.43 0.15 -0.62 -4.86 113.70 111.13 1jf7 s SER 205 Ca 0.25 2.55 0.28 0.00 0.70 0.00 0.00 55.95 59.74 1jf7 s SER 205 Cb 0.18 -2.62 1.43 0.00 -1.71 0.00 0.00 66.02 63.30 1jf7 s SER 205 CO 0.26 -1.41 1.86 -0.65 1.20 0.00 0.00 173.24 174.51 1jf7 h PRO 206 N 1.48 0.00 0.00 5.44 0.11 -1.92 -0.43 132.00 136.67 1jf7 h PRO 206 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1jf7 h PRO 206 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jf7 h PRO 206 CO 0.57 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.85 1jf7 h GLU 207 N 0.00 0.00 -5.95 1.05 4.81 -1.93 -3.44 114.58 109.12 1jf7 h GLU 207 Ca 0.00 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.66 1jf7 h GLU 207 Cb 0.14 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.43 1jf7 h GLU 207 CO 0.00 0.00 -0.53 -1.01 -0.73 0.00 0.00 179.01 176.74 1jf7 s HIS 208 N -3.54 2.61 1.25 0.92 3.76 -0.17 -5.12 115.29 114.99 1jf7 s HIS 208 Ca 0.02 -0.52 -0.17 0.00 -0.15 0.00 0.00 55.06 54.23 1jf7 s HIS 208 Cb 0.09 -1.81 0.31 0.00 1.11 0.00 0.00 32.58 32.28 1jf7 s HIS 208 CO 0.42 0.28 1.01 0.20 -0.85 0.00 0.00 174.74 175.80 1jf7 s GLY 209 N -3.85 1.50 0.35 -2.22 0.00 -0.81 -4.91 107.32 97.37 1jf7 s GLY 209 Ca 0.39 -0.54 -0.28 0.00 0.00 0.00 0.00 44.72 44.29 1jf7 s GLY 209 CO 0.22 0.30 1.30 -4.14 0.00 0.00 0.00 173.10 170.78 1jf7 s PRO 210 N -4.88 4.26 0.44 2.90 0.02 -1.26 -4.46 135.00 132.02 1jf7 s PRO 210 Ca 0.69 2.19 -0.25 0.00 0.02 0.00 0.00 61.00 63.64 1jf7 s PRO 210 Cb -0.18 -2.98 -0.09 0.00 0.02 0.00 0.00 34.50 31.27 1jf7 s PRO 210 CO 0.60 -0.26 1.34 1.55 -0.33 0.00 0.00 177.00 179.90 1jf7 n VAL 211 N 0.62 2.75 -3.96 3.83 3.14 -1.26 -4.46 118.33 118.98 1jf7 n VAL 211 Ca 0.01 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.54 1jf7 n VAL 211 Cb 0.42 -1.69 -0.10 0.00 -1.06 0.00 0.00 33.84 31.41 1jf7 n VAL 211 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1jf7 s VAL 212 N -1.21 4.68 -0.09 1.55 1.01 -0.97 -0.46 120.40 124.93 1jf7 s VAL 212 Ca 0.62 -0.07 0.03 0.00 0.00 0.00 0.00 61.98 62.56 1jf7 s VAL 212 Cb -0.48 -3.13 0.01 0.00 0.00 0.00 0.00 36.38 32.78 1jf7 s VAL 212 CO 0.57 0.43 -0.18 -0.69 0.00 0.00 0.00 175.10 175.23 1jf7 s VAL 213 N 0.69 1.59 0.11 2.92 1.01 -0.57 -0.02 120.40 126.13 1jf7 s VAL 213 Ca 0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1jf7 s VAL 213 Cb -0.13 -1.41 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1jf7 s VAL 213 CO 0.02 0.46 0.05 -1.38 0.00 0.00 0.00 175.10 174.24 1jf7 s HIS 214 N 0.57 0.71 0.00 5.22 -3.43 0.24 -1.90 115.29 116.70 1jf7 s HIS 214 Ca -0.15 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 52.97 1jf7 s HIS 214 Cb -0.17 -0.42 0.00 0.00 -1.43 0.00 0.00 32.58 30.57 1jf7 s HIS 214 CO 0.05 -0.49 0.00 0.00 -2.00 0.00 0.00 174.74 172.30 1jf7 h SER 216 N 0.00 -0.01 0.02 0.00 4.64 -1.90 -2.00 113.55 114.29 1jf7 h SER 216 Ca 0.00 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 1jf7 h SER 216 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1jf7 h SER 216 CO 0.00 0.68 -0.95 0.00 -0.87 0.00 0.00 176.83 175.69 1jf7 n ALA 217 N -2.70 4.65 -2.50 5.18 0.00 -1.26 -0.78 120.51 123.10 1jf7 n ALA 217 Ca -0.04 -0.59 -0.12 0.00 0.00 0.00 0.00 53.44 52.68 1jf7 n ALA 217 Cb 0.20 -0.78 0.01 0.00 0.00 0.00 0.00 19.45 18.88 1jf7 n ALA 217 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jf7 n GLY 218 N 1.49 -0.04 0.00 0.00 0.00 -1.22 -3.77 105.19 101.65 1jf7 n GLY 218 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.74 1jf7 n GLY 218 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jf7 n ILE 219 N -3.98 0.00 0.00 -0.61 -5.35 -1.26 -4.40 119.36 103.76 1jf7 n ILE 219 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.39 1jf7 n ILE 219 Cb 0.58 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 1jf7 n ILE 219 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jf7 n GLY 220 N 0.63 1.36 0.33 3.28 0.00 -1.26 -0.87 105.19 108.66 1jf7 n GLY 220 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1jf7 n GLY 220 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1jf7 h ARG 221 N 0.00 0.90 -0.56 1.61 3.08 -1.96 -1.63 114.38 115.83 1jf7 h ARG 221 Ca 0.00 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1jf7 h ARG 221 Cb 0.00 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.82 1jf7 h ARG 221 CO 0.00 0.60 0.27 0.77 -1.07 0.00 0.00 179.97 180.53 1jf7 h SER 222 N 0.93 0.73 -0.49 7.04 0.02 -1.87 -1.52 113.55 118.38 1jf7 h SER 222 Ca 0.41 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.18 1jf7 h SER 222 Cb 0.30 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1jf7 h SER 222 CO -0.22 0.66 0.15 1.23 -1.14 0.00 0.00 176.83 177.50 1jf7 h GLY 223 N 0.75 0.89 1.00 -3.77 0.00 -1.24 -1.71 103.07 99.00 1jf7 h GLY 223 Ca 0.19 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 1jf7 h GLY 223 CO -0.02 0.47 0.30 -0.84 0.00 0.00 0.00 176.54 176.45 1jf7 h THR 224 N 0.80 1.23 -0.05 4.70 2.02 -0.33 0.26 112.91 121.54 1jf7 h THR 224 Ca 0.18 -0.66 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 1jf7 h THR 224 Cb 0.27 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1jf7 h THR 224 CO -0.00 0.27 0.01 0.15 0.37 0.00 0.00 175.52 176.32 1jf7 h PHE 225 N 0.91 0.08 -0.23 3.16 3.57 -1.22 -1.44 116.94 121.78 1jf7 h PHE 225 Ca 0.22 -0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 1jf7 h PHE 225 Cb 0.14 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 38.86 1jf7 h PHE 225 CO 0.01 0.29 -0.45 0.00 -2.23 0.00 0.00 178.31 175.93 1jf7 h LEU 227 N 0.42 -1.29 -0.04 0.00 5.85 -0.52 -0.38 115.31 119.35 1jf7 h LEU 227 Ca 0.01 0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.94 1jf7 h LEU 227 Cb 1.05 0.53 -0.05 0.00 0.37 0.00 0.00 40.66 42.56 1jf7 h LEU 227 CO 0.10 -0.42 -0.30 0.00 -0.34 0.00 0.00 178.44 177.48 1jf7 h ALA 228 N 0.15 -0.40 0.15 1.25 0.00 -1.20 -0.56 119.26 118.66 1jf7 h ALA 228 Ca 0.08 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.01 1jf7 h ALA 228 Cb 0.62 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.92 1jf7 h ALA 228 CO -0.40 -0.80 -0.35 0.22 0.00 0.00 0.00 179.25 177.92 1jf7 h ASP 229 N -0.43 -1.02 -0.49 0.00 3.58 -1.26 -1.71 116.42 115.10 1jf7 h ASP 229 Ca 0.07 0.11 0.07 0.00 0.42 0.00 0.00 57.03 57.71 1jf7 h ASP 229 Cb 0.53 0.38 -0.06 0.00 1.72 0.00 0.00 39.33 41.90 1jf7 h ASP 229 CO -0.28 -0.44 0.15 0.74 -2.88 0.00 0.00 179.24 176.53 1jf7 h THR 230 N -0.60 0.81 -0.55 2.25 2.02 -0.85 -1.61 112.91 114.37 1jf7 h THR 230 Ca 0.02 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.08 1jf7 h THR 230 Cb 0.62 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1jf7 h THR 230 CO -0.19 0.06 0.30 0.00 0.37 0.00 0.00 175.52 176.06 1jf7 h LEU 232 N 0.74 0.61 -0.47 0.00 3.38 -0.65 -0.87 115.31 118.05 1jf7 h LEU 232 Ca 0.19 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1jf7 h LEU 232 Cb 0.06 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1jf7 h LEU 232 CO -0.03 0.38 0.24 -0.07 0.09 0.00 0.00 178.44 179.04 1jf7 h LEU 233 N 0.74 0.61 -0.31 1.67 -0.00 -0.57 -1.29 115.31 116.15 1jf7 h LEU 233 Ca 0.34 -0.12 0.03 0.00 -0.00 0.00 0.00 57.88 58.13 1jf7 h LEU 233 Cb 0.25 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 1jf7 h LEU 233 CO -0.21 0.55 0.14 -0.07 -0.00 0.00 0.00 178.44 178.85 1jf7 h LEU 234 N 0.62 0.19 -0.58 1.67 3.38 -0.61 0.45 115.31 120.43 1jf7 h LEU 234 Ca 0.16 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.23 1jf7 h LEU 234 Cb 0.10 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.77 1jf7 h LEU 234 CO -0.02 0.15 0.25 0.24 0.09 0.00 0.00 178.44 179.15 1jf7 h MET 235 N 0.30 0.45 -0.58 1.13 2.86 -0.62 -1.57 114.93 116.90 1jf7 h MET 235 Ca 0.13 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 1jf7 h MET 235 Cb 0.07 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 1jf7 h MET 235 CO -0.11 0.30 0.11 0.22 1.06 0.00 0.00 176.91 178.48 1jf7 h ASP 236 N 0.46 0.87 0.03 1.22 3.58 -0.33 -3.31 116.42 118.94 1jf7 h ASP 236 Ca 0.28 -0.18 -0.16 0.00 0.42 0.00 0.00 57.03 57.39 1jf7 h ASP 236 Cb 0.28 -0.23 0.01 0.00 1.72 0.00 0.00 39.33 41.11 1jf7 h ASP 236 CO -0.24 0.87 -0.63 0.11 -2.88 0.00 0.00 179.24 176.47 1jf7 h LYS 237 N 0.88 0.38 0.00 0.28 6.56 -0.48 -3.40 116.57 120.79 1jf7 h LYS 237 Ca 0.18 -0.45 0.00 0.00 -1.06 0.00 0.00 60.65 59.33 1jf7 h LYS 237 Cb 0.37 0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.16 1jf7 h LYS 237 CO 0.01 1.12 0.00 0.07 -2.06 0.00 0.00 179.45 178.59 1jf7 h ARG 238 N -0.16 0.00 0.00 3.15 0.11 -1.39 -3.47 114.38 112.62 1jf7 h ARG 238 Ca -0.09 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1jf7 h ARG 238 Cb 1.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.45 1jf7 h ARG 238 CO 0.12 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.82 1jf7 n LYS 239 N -2.95 0.00 -3.63 0.08 5.02 -1.26 -4.79 118.16 110.63 1jf7 n LYS 239 Ca 0.03 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.05 1jf7 n LYS 239 Cb 0.44 -1.17 -0.10 0.00 -0.02 0.00 0.00 35.03 34.18 1jf7 n LYS 239 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1jf7 n ASP 240 N 0.00 2.79 -0.35 4.39 -0.08 -1.26 -4.99 116.55 117.04 1jf7 n ASP 240 Ca 0.00 -3.19 0.33 0.00 -1.51 0.00 0.00 54.79 50.42 1jf7 n ASP 240 Cb 0.00 -0.70 0.60 0.00 2.34 0.00 0.00 41.12 43.36 1jf7 n ASP 240 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1jf7 h PRO 241 N 4.87 0.01 0.00 -0.67 0.11 -1.87 0.34 132.00 134.79 1jf7 h PRO 241 Ca 0.17 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jf7 h PRO 241 Cb 0.74 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1jf7 h PRO 241 CO 0.71 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.38 1jf7 n SER 242 N -5.16 0.00 0.15 -2.05 3.41 -1.26 -2.11 113.62 106.61 1jf7 n SER 242 Ca 0.38 -0.46 0.13 0.00 -0.26 0.00 0.00 58.87 58.66 1jf7 n SER 242 Cb 1.33 -0.08 0.46 0.00 -0.26 0.00 0.00 64.21 65.65 1jf7 n SER 242 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 1jf7 h SER 243 N 0.00 0.00 -3.06 4.04 0.87 -0.74 -3.46 113.55 111.20 1jf7 h SER 243 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 1jf7 h SER 243 Cb 0.05 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.97 1jf7 h SER 243 CO 0.00 0.00 1.12 -0.69 -0.53 0.00 0.00 176.83 176.73 1jf7 s VAL 244 N -3.28 3.80 -0.40 2.23 1.01 -0.90 -4.99 120.40 117.87 1jf7 s VAL 244 Ca 0.06 0.83 -0.13 0.00 0.00 0.00 0.00 61.98 62.75 1jf7 s VAL 244 Cb 0.10 -4.01 0.04 0.00 0.00 0.00 0.00 36.38 32.51 1jf7 s VAL 244 CO 0.51 -0.60 0.26 -0.62 0.00 0.00 0.00 175.10 174.66 1jf7 s ASP 245 N 4.38 5.89 0.26 3.32 -1.08 -1.26 -4.97 116.67 123.21 1jf7 s ASP 245 Ca 0.66 -1.06 -0.01 0.00 -0.52 0.00 0.00 52.55 51.62 1jf7 s ASP 245 Cb -0.17 -2.08 0.51 0.00 -1.46 0.00 0.00 42.92 39.72 1jf7 s ASP 245 CO 0.32 -0.45 1.78 0.40 0.52 0.00 0.00 175.17 177.73 1jf7 h ILE 246 N 5.81 0.77 -0.75 4.11 1.08 -1.99 0.79 117.51 127.34 1jf7 h ILE 246 Ca -0.26 -0.23 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 1jf7 h ILE 246 Cb 1.11 0.04 -0.04 0.00 -3.07 0.00 0.00 36.82 34.86 1jf7 h ILE 246 CO 0.72 0.12 0.45 0.11 -0.69 0.00 0.00 178.15 178.86 1jf7 h LYS 247 N 0.68 1.01 -0.42 2.37 1.57 -1.99 0.20 116.57 119.98 1jf7 h LYS 247 Ca 0.45 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 59.00 1jf7 h LYS 247 Cb 0.59 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1jf7 h LYS 247 CO -0.33 0.70 -0.30 0.87 -0.57 0.00 0.00 179.45 179.82 1jf7 h LYS 248 N 1.03 0.93 -0.03 3.15 1.57 -1.31 -1.13 116.57 120.77 1jf7 h LYS 248 Ca 0.27 -0.44 -0.17 0.00 -1.87 0.00 0.00 60.65 58.44 1jf7 h LYS 248 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1jf7 h LYS 248 CO -0.05 1.10 -0.75 0.28 -0.57 0.00 0.00 179.45 179.46 1jf7 h VAL 249 N 0.78 1.45 -0.18 0.50 2.07 -0.75 -2.18 116.25 117.94 1jf7 h VAL 249 Ca 0.08 -2.33 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 1jf7 h VAL 249 Cb 0.88 2.25 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1jf7 h VAL 249 CO 0.08 0.68 0.04 0.25 0.02 0.00 0.00 177.57 178.64 1jf7 h LEU 250 N 0.14 0.28 -1.36 2.57 5.85 -0.49 -1.11 115.31 121.18 1jf7 h LEU 250 Ca -0.03 -0.24 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1jf7 h LEU 250 Cb 1.32 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.23 1jf7 h LEU 250 CO 0.11 0.45 0.48 -0.07 -0.34 0.00 0.00 178.44 179.07 1jf7 h LEU 251 N 0.09 0.69 -0.64 2.25 3.38 -1.21 0.19 115.31 120.07 1jf7 h LEU 251 Ca 0.06 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1jf7 h LEU 251 Cb 0.28 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1jf7 h LEU 251 CO 0.00 0.46 -0.62 -0.08 0.09 0.00 0.00 178.44 178.29 1jf7 h GLU 252 N 0.79 0.00 -0.14 1.13 4.57 -1.26 -3.07 114.58 116.61 1jf7 h GLU 252 Ca 0.31 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 58.27 1jf7 h GLU 252 Cb 0.20 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.80 1jf7 h GLU 252 CO -0.10 0.62 -0.79 0.52 -1.18 0.00 0.00 179.01 178.08 1jf7 h MET 253 N 0.00 0.74 0.00 1.92 2.86 0.49 -2.91 114.93 118.03 1jf7 h MET 253 Ca -0.01 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.02 1jf7 h MET 253 Cb 1.17 0.13 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1jf7 h MET 253 CO 0.08 1.22 0.00 0.54 1.06 0.00 0.00 176.91 179.81 1jf7 n ARG 254 N -3.92 0.14 0.19 1.72 1.74 0.41 -0.77 116.66 116.18 1jf7 n ARG 254 Ca -0.07 0.18 0.08 0.00 -0.77 0.00 0.00 57.85 57.28 1jf7 n ARG 254 Cb 0.75 -1.50 0.21 0.00 -1.02 0.00 0.00 32.46 30.90 1jf7 n ARG 254 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1jf7 h LYS 255 N 0.00 0.00 0.00 5.56 1.57 -1.49 -3.30 116.57 118.90 1jf7 h LYS 255 Ca 0.00 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 1jf7 h LYS 255 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1jf7 h LYS 255 CO 0.00 0.23 -1.94 1.19 -0.57 0.00 0.00 179.45 178.36 1jf7 n PHE 256 N -3.20 0.23 -3.66 -1.35 3.72 0.05 -4.97 117.46 108.28 1jf7 n PHE 256 Ca 0.02 0.07 -0.13 0.00 -0.05 0.00 0.00 57.45 57.36 1jf7 n PHE 256 Cb 0.57 -0.77 -0.08 0.00 -0.94 0.00 0.00 39.48 38.26 1jf7 n PHE 256 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 1jf7 s ARG 257 N -3.12 0.72 0.51 -1.08 3.52 -1.15 -4.53 118.95 113.83 1jf7 s ARG 257 Ca -0.07 0.90 -0.18 0.00 -0.13 0.00 0.00 55.73 56.24 1jf7 s ARG 257 Cb 0.11 0.33 -0.08 0.00 -1.56 0.00 0.00 34.95 33.75 1jf7 s ARG 257 CO 0.86 -0.09 1.00 0.00 -0.81 0.00 0.00 175.30 176.26 1jf7 s MET 258 N 0.45 3.84 -1.07 5.12 0.23 -1.26 -4.17 119.30 122.44 1jf7 s MET 258 Ca -0.01 1.12 0.00 0.00 -1.03 0.00 0.00 55.69 55.77 1jf7 s MET 258 Cb -0.05 -2.11 0.00 0.00 -1.53 0.00 0.00 34.83 31.14 1jf7 s MET 258 CO -0.01 -0.37 0.00 0.41 -2.03 0.00 0.00 175.02 173.02 1jf7 n GLY 259 N -1.02 1.10 3.70 3.16 0.00 -1.26 -4.89 105.19 105.98 1jf7 n GLY 259 Ca 0.08 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1jf7 n GLY 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jf7 n LEU 260 N -1.14 4.03 -1.38 0.99 4.77 -1.26 -4.03 117.00 118.98 1jf7 n LEU 260 Ca -0.10 1.01 -0.00 0.00 -0.03 0.00 0.00 56.01 56.88 1jf7 n LEU 260 Cb 0.42 -1.55 -0.00 0.00 -2.33 0.00 0.00 43.42 39.95 1jf7 n LEU 260 CO 0.15 0.18 -0.13 -0.38 -1.33 0.00 0.00 177.39 175.88 1jf7 n ILE 261 N 4.52 -5.06 0.47 -0.08 2.08 -0.05 -4.99 119.36 116.24 1jf7 n ILE 261 Ca 0.18 0.83 0.11 0.00 0.56 0.00 0.00 62.75 64.43 1jf7 n ILE 261 Cb 0.37 -3.85 -0.07 0.00 -0.75 0.00 0.00 39.64 35.34 1jf7 n ILE 261 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1jf7 n GLN 262 N 0.48 0.35 -4.02 0.38 1.13 -1.26 -4.92 117.38 109.53 1jf7 n GLN 262 Ca -0.01 -0.06 -0.09 0.00 -1.94 0.00 0.00 57.00 54.91 1jf7 n GLN 262 Cb 0.01 -1.56 -0.09 0.00 0.11 0.00 0.00 30.24 28.71 1jf7 n GLN 262 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 1jf7 s THR 263 N -3.26 0.14 0.40 5.09 -4.23 -1.26 -5.02 115.64 107.50 1jf7 s THR 263 Ca 0.01 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.00 1jf7 s THR 263 Cb 0.14 -1.65 0.26 0.00 1.34 0.00 0.00 72.50 72.60 1jf7 s THR 263 CO 0.85 -0.66 2.04 0.00 -0.54 0.00 0.00 174.62 176.32 1jf7 h ALA 264 N 2.87 1.67 -0.14 3.99 0.00 -1.93 -2.14 119.26 123.58 1jf7 h ALA 264 Ca -0.34 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.43 1jf7 h ALA 264 Cb 1.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1jf7 h ALA 264 CO 0.59 0.29 -0.37 0.22 0.00 0.00 0.00 179.25 179.98 1jf7 h ASP 265 N 0.57 0.31 0.47 0.00 1.82 -1.95 -1.82 116.42 115.83 1jf7 h ASP 265 Ca 0.15 -0.12 -0.12 0.00 -0.39 0.00 0.00 57.03 56.55 1jf7 h ASP 265 Cb -0.04 -0.09 -0.02 0.00 0.68 0.00 0.00 39.33 39.87 1jf7 h ASP 265 CO -0.03 0.66 -0.54 1.56 -1.61 0.00 0.00 179.24 179.29 1jf7 h GLN 266 N 0.26 0.07 -0.36 0.28 4.20 -1.80 -1.23 115.11 116.53 1jf7 h GLN 266 Ca 0.03 -0.04 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 1jf7 h GLN 266 Cb 0.78 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.55 1jf7 h GLN 266 CO 0.06 0.59 -0.13 1.25 -0.67 0.00 0.00 178.83 179.93 1jf7 h LEU 267 N 0.06 0.75 -0.52 1.46 5.85 -1.08 -0.82 115.31 121.00 1jf7 h LEU 267 Ca -0.00 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 1jf7 h LEU 267 Cb 0.97 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1jf7 h LEU 267 CO 0.07 0.97 0.12 -0.09 -0.34 0.00 0.00 178.44 179.17 1jf7 h ARG 268 N 0.53 0.84 -0.84 1.25 2.43 -1.24 -1.77 114.38 115.57 1jf7 h ARG 268 Ca 0.09 -0.21 0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1jf7 h ARG 268 Cb 0.66 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.06 1jf7 h ARG 268 CO 0.04 0.81 0.55 0.35 -1.51 0.00 0.00 179.97 180.21 1jf7 h PHE 269 N 0.73 1.03 -0.46 2.20 3.57 -1.12 0.11 116.94 123.00 1jf7 h PHE 269 Ca 0.16 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.66 1jf7 h PHE 269 Cb 0.35 -0.35 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1jf7 h PHE 269 CO 0.02 0.63 0.20 0.77 -2.23 0.00 0.00 178.31 177.70 1jf7 h SER 270 N 1.09 0.62 -0.23 0.41 0.02 -0.63 0.20 113.55 115.03 1jf7 h SER 270 Ca 0.32 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1jf7 h SER 270 Cb -0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.31 1jf7 h SER 270 CO -0.08 0.60 0.13 1.88 -1.14 0.00 0.00 176.83 178.21 1jf7 h TYR 271 N 0.59 0.32 -1.00 3.45 -1.99 -0.86 -2.49 116.97 114.99 1jf7 h TYR 271 Ca 0.15 -0.01 0.12 0.00 2.00 0.00 0.00 58.73 61.00 1jf7 h TYR 271 Cb 0.16 -0.10 -0.09 0.00 2.00 0.00 0.00 36.73 38.71 1jf7 h TYR 271 CO -0.00 0.28 0.63 -0.07 -0.00 0.00 0.00 178.16 179.00 1jf7 h LEU 272 N 0.26 0.92 -0.73 3.88 3.38 -0.26 -2.58 115.31 120.19 1jf7 h LEU 272 Ca 0.08 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 1jf7 h LEU 272 Cb 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1jf7 h LEU 272 CO -0.01 0.48 -0.53 0.00 0.09 0.00 0.00 178.44 178.47 1jf7 h ALA 273 N 1.54 0.91 -0.18 1.53 0.00 -0.23 -2.89 119.26 119.95 1jf7 h ALA 273 Ca 0.50 -0.49 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1jf7 h ALA 273 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jf7 h ALA 273 CO -0.27 0.68 -0.36 0.28 0.00 0.00 0.00 179.25 179.57 1jf7 h VAL 274 N 0.22 1.34 0.91 0.00 2.07 -1.10 -1.18 116.25 118.52 1jf7 h VAL 274 Ca 0.01 -1.61 -0.04 0.00 0.82 0.00 0.00 66.70 65.87 1jf7 h VAL 274 Cb 1.01 1.93 0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1jf7 h VAL 274 CO 0.08 0.49 -0.44 0.40 0.02 0.00 0.00 177.57 178.13 1jf7 h ILE 275 N 0.21 0.06 -0.97 4.57 2.04 -1.48 0.70 117.51 122.64 1jf7 h ILE 275 Ca 0.00 -0.05 0.01 0.00 1.00 0.00 0.00 64.86 65.82 1jf7 h ILE 275 Cb 0.96 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.06 1jf7 h ILE 275 CO 0.08 0.00 0.63 -0.33 0.00 0.00 0.00 178.15 178.54 1jf7 h GLU 276 N -1.27 1.28 -0.81 2.37 4.39 -1.62 0.41 114.58 119.33 1jf7 h GLU 276 Ca -0.12 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1jf7 h GLU 276 Cb 0.94 -0.29 -0.04 0.00 -0.10 0.00 0.00 28.75 29.26 1jf7 h GLU 276 CO 0.21 0.86 0.52 0.78 -1.16 0.00 0.00 179.01 180.21 1jf7 h GLY 277 N 1.32 1.15 0.90 -3.84 0.00 -1.10 0.24 103.07 101.73 1jf7 h GLY 277 Ca 0.35 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 47.22 1jf7 h GLY 277 CO -0.07 0.44 0.10 0.00 0.00 0.00 0.00 176.54 177.00 1jf7 h ALA 278 N 1.28 0.36 0.28 3.60 0.00 0.21 -1.70 119.26 123.29 1jf7 h ALA 278 Ca 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jf7 h ALA 278 Cb -0.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 1jf7 h ALA 278 CO -0.06 -0.03 -0.17 0.87 0.00 0.00 0.00 179.25 179.86 1jf7 h LYS 279 N 0.29 -0.41 -0.79 0.00 1.57 0.20 0.65 116.57 118.08 1jf7 h LYS 279 Ca 0.09 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.02 1jf7 h LYS 279 Cb 0.20 0.09 -0.09 0.00 0.08 0.00 0.00 32.23 32.52 1jf7 h LYS 279 CO -0.01 -0.28 0.39 0.35 -0.57 0.00 0.00 179.45 179.34 1jf7 h PHE 280 N -0.43 0.68 0.00 -1.35 3.04 -0.53 -0.21 116.94 118.15 1jf7 h PHE 280 Ca -0.03 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 61.86 1jf7 h PHE 280 Cb 0.35 -0.19 -0.01 0.00 2.56 0.00 0.00 35.95 38.67 1jf7 h PHE 280 CO -0.09 0.19 -0.44 0.82 -2.02 0.00 0.00 178.31 176.77 1jf7 h ILE 281 N 0.60 1.01 -0.00 1.41 2.04 -0.43 -3.51 117.51 118.63 1jf7 h ILE 281 Ca 0.41 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1jf7 h ILE 281 Cb 0.54 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.63 1jf7 h ILE 281 CO -0.33 0.43 0.00 0.23 0.00 0.00 0.00 178.15 178.48