#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jf9 s PHE 3 N 0.00 3.68 -0.33 1.39 5.36 -1.26 -5.06 117.98 121.77 1jf9 s PHE 3 Ca 0.00 1.78 0.03 0.00 -0.96 0.00 0.00 56.93 57.78 1jf9 s PHE 3 Cb 0.00 -3.10 0.10 0.00 -0.34 0.00 0.00 43.02 39.68 1jf9 s PHE 3 CO 0.00 -0.10 0.05 0.45 -1.46 0.00 0.00 175.22 174.16 1jf9 s SER 4 N -1.21 4.57 0.33 6.13 0.15 -1.26 -5.00 113.70 117.41 1jf9 s SER 4 Ca 0.46 -1.99 0.00 0.00 0.70 0.00 0.00 55.95 55.13 1jf9 s SER 4 Cb -0.26 -1.45 0.55 0.00 -1.71 0.00 0.00 66.02 63.16 1jf9 s SER 4 CO 0.33 -0.38 1.99 1.62 1.20 0.00 0.00 173.24 178.00 1jf9 h VAL 5 N 6.59 1.18 -0.71 4.45 3.04 -1.97 -0.85 116.25 127.98 1jf9 h VAL 5 Ca -0.07 -0.33 -0.02 0.00 -1.01 0.00 0.00 66.70 65.27 1jf9 h VAL 5 Cb 1.02 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 30.38 1jf9 h VAL 5 CO 0.50 0.18 0.38 0.44 -1.01 0.00 0.00 177.57 178.06 1jf9 h ASP 6 N 0.98 0.90 -0.20 3.17 3.32 -1.96 0.16 116.42 122.80 1jf9 h ASP 6 Ca 0.27 -0.11 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 1jf9 h ASP 6 Cb -0.09 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 1jf9 h ASP 6 CO -0.06 0.75 -0.40 0.11 -1.72 0.00 0.00 179.24 177.92 1jf9 h LYS 7 N 0.98 0.74 -0.26 3.56 1.57 -1.77 -2.70 116.57 118.68 1jf9 h LYS 7 Ca 0.25 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 1jf9 h LYS 7 Cb 0.06 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1jf9 h LYS 7 CO -0.04 1.01 0.05 0.28 -0.57 0.00 0.00 179.45 180.18 1jf9 h VAL 8 N 0.60 1.22 -0.09 0.50 2.07 -0.86 -2.96 116.25 116.74 1jf9 h VAL 8 Ca 0.05 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 66.85 1jf9 h VAL 8 Cb 0.95 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1jf9 h VAL 8 CO 0.09 0.24 0.06 0.03 0.02 0.00 0.00 177.57 178.01 1jf9 h ARG 9 N 0.25 0.00 0.00 1.57 3.08 -0.61 -0.79 114.38 117.88 1jf9 h ARG 9 Ca 0.08 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.12 1jf9 h ARG 9 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1jf9 h ARG 9 CO 0.00 0.00 -0.06 0.00 -1.07 0.00 0.00 179.97 178.84 1jf9 h ALA 10 N 1.95 1.04 0.00 0.04 0.00 -1.30 -1.74 119.26 119.25 1jf9 h ALA 10 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jf9 h ALA 10 Cb 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jf9 h ALA 10 CO -0.00 0.07 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 1jf9 n ASP 11 N -3.22 0.72 -4.24 0.00 8.00 -0.30 -4.67 116.55 112.84 1jf9 n ASP 11 Ca -0.00 0.58 -0.42 0.00 0.71 0.00 0.00 54.79 55.66 1jf9 n ASP 11 Cb 0.29 -0.77 -0.08 0.00 -0.02 0.00 0.00 41.12 40.54 1jf9 n ASP 11 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1jf9 s PHE 12 N -3.12 3.38 0.41 1.24 0.40 -0.66 -0.26 117.98 119.38 1jf9 s PHE 12 Ca 0.10 -1.71 0.14 0.00 -0.60 0.00 0.00 56.93 54.86 1jf9 s PHE 12 Cb 0.12 -3.53 1.00 0.00 0.51 0.00 0.00 43.02 41.13 1jf9 s PHE 12 CO 0.56 -0.99 1.90 -1.00 0.70 0.00 0.00 175.22 176.39 1jf9 h PRO 13 N 8.55 0.46 0.00 0.24 0.13 -1.83 -2.39 132.00 137.16 1jf9 h PRO 13 Ca -0.23 -0.03 -0.06 0.00 -0.87 0.00 0.00 66.00 64.81 1jf9 h PRO 13 Cb 1.08 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.10 1jf9 h PRO 13 CO 0.90 0.31 -0.30 0.28 -0.23 0.00 0.00 178.00 178.95 1jf9 h VAL 14 N 0.48 1.03 0.00 1.56 2.07 -1.94 -3.08 116.25 116.37 1jf9 h VAL 14 Ca 0.40 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1jf9 h VAL 14 Cb 0.87 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1jf9 h VAL 14 CO -0.15 0.29 0.00 0.18 0.02 0.00 0.00 177.57 177.92 1jf9 n LEU 15 N -3.92 0.37 -0.20 2.57 4.77 -0.90 -1.58 117.00 118.11 1jf9 n LEU 15 Ca -0.02 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1jf9 n LEU 15 Cb 0.37 -0.64 0.45 0.00 -2.33 0.00 0.00 43.42 41.27 1jf9 n LEU 15 CO 0.36 -0.64 0.72 -1.20 -1.33 0.00 0.00 177.39 175.30 1jf9 n SER 16 N -1.96 0.85 -4.70 -1.43 7.64 -1.16 -4.77 113.62 108.08 1jf9 n SER 16 Ca 0.01 -0.78 -0.31 0.00 1.01 0.00 0.00 58.87 58.80 1jf9 n SER 16 Cb 0.10 0.07 0.14 0.00 -1.01 0.00 0.00 64.21 63.51 1jf9 n SER 16 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1jf9 s ARG 17 N -2.50 1.30 0.08 1.43 6.06 -0.61 -4.94 118.95 119.76 1jf9 s ARG 17 Ca 0.25 1.21 0.09 0.00 -2.50 0.00 0.00 55.73 54.79 1jf9 s ARG 17 Cb 0.19 -1.78 -0.03 0.00 0.06 0.00 0.00 34.95 33.39 1jf9 s ARG 17 CO 0.51 -2.32 -0.24 -1.21 -2.50 0.00 0.00 175.30 169.53 1jf9 s GLU 18 N -4.77 1.49 -0.05 5.12 2.02 -1.26 -2.33 118.70 118.91 1jf9 s GLU 18 Ca 0.64 -1.14 0.02 0.00 0.02 0.00 0.00 54.97 54.51 1jf9 s GLU 18 Cb -0.20 -1.75 0.02 0.00 0.10 0.00 0.00 34.13 32.30 1jf9 s GLU 18 CO 0.58 0.43 -0.08 0.08 0.02 0.00 0.00 175.26 176.29 1jf9 s VAL 19 N -0.92 0.78 -1.48 2.63 1.01 0.22 -4.75 120.40 117.89 1jf9 s VAL 19 Ca 0.10 -0.28 -0.05 0.00 0.00 0.00 0.00 61.98 61.75 1jf9 s VAL 19 Cb -0.10 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.56 1jf9 s VAL 19 CO 0.03 0.27 0.44 -3.20 0.00 0.00 0.00 175.10 172.65 1jf9 n ASN 20 N 3.84 -5.36 0.00 3.32 5.15 -1.26 -0.61 115.26 120.34 1jf9 n ASN 20 Ca -0.24 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.52 1jf9 n ASN 20 Cb 0.52 -4.38 0.00 0.00 -0.53 0.00 0.00 39.78 35.38 1jf9 n ASN 20 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jf9 n GLY 21 N -1.31 0.29 3.44 8.20 0.00 -1.26 -4.97 105.19 109.59 1jf9 n GLY 21 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 1jf9 n GLY 21 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jf9 s LEU 22 N 0.00 2.49 0.03 0.99 1.43 0.22 -5.06 118.68 118.78 1jf9 s LEU 22 Ca 0.00 -0.93 -0.30 0.00 -1.03 0.00 0.00 54.13 51.87 1jf9 s LEU 22 Cb 0.00 -1.14 -0.07 0.00 0.03 0.00 0.00 46.19 45.01 1jf9 s LEU 22 CO 0.00 0.09 1.50 -2.16 0.23 0.00 0.00 176.35 176.01 1jf9 s PRO 23 N -2.98 4.25 0.21 1.29 0.04 -1.26 0.73 135.00 137.27 1jf9 s PRO 23 Ca 0.24 2.12 -0.32 0.00 0.04 0.00 0.00 61.00 63.08 1jf9 s PRO 23 Cb -0.07 -3.57 -0.12 0.00 0.04 0.00 0.00 34.50 30.78 1jf9 s PRO 23 CO 0.12 -0.63 1.68 -0.11 0.04 0.00 0.00 177.00 178.09 1jf9 n LEU 24 N 5.40 3.85 -3.98 -3.56 7.94 -0.98 -4.74 117.00 120.93 1jf9 n LEU 24 Ca 0.14 1.07 -0.31 0.00 -1.11 0.00 0.00 56.01 55.81 1jf9 n LEU 24 Cb 0.42 -1.55 -0.15 0.00 0.53 0.00 0.00 43.42 42.68 1jf9 n LEU 24 CO 0.60 0.08 -0.27 0.00 -1.11 0.00 0.00 177.39 176.69 1jf9 s ALA 25 N 0.99 3.04 -0.78 1.96 0.00 0.49 -4.97 121.76 122.48 1jf9 s ALA 25 Ca 0.75 -2.84 -0.25 0.00 0.00 0.00 0.00 51.96 49.62 1jf9 s ALA 25 Cb -0.54 -2.04 0.05 0.00 0.00 0.00 0.00 23.12 20.58 1jf9 s ALA 25 CO 0.35 -1.83 1.24 -0.47 0.00 0.00 0.00 175.76 175.05 1jf9 s TYR 26 N 0.40 2.43 -0.46 0.00 5.04 -1.26 -0.51 117.35 122.99 1jf9 s TYR 26 Ca 0.14 -0.33 0.03 0.00 -2.44 0.00 0.00 57.07 54.47 1jf9 s TYR 26 Cb -0.22 -4.56 0.48 0.00 0.35 0.00 0.00 41.96 38.01 1jf9 s TYR 26 CO -0.05 -1.95 1.64 1.28 -1.34 0.00 0.00 175.55 175.14 1jf9 n LEU 27 N 8.86 6.08 -1.30 6.97 4.77 -0.05 -4.59 117.00 137.74 1jf9 n LEU 27 Ca 0.07 -4.31 0.01 0.00 -0.03 0.00 0.00 56.01 51.76 1jf9 n LEU 27 Cb 0.49 -0.69 0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1jf9 n LEU 27 CO 0.68 1.62 0.20 -0.67 -1.33 0.00 0.00 177.39 177.89 1jf9 n ASP 28 N -0.90 1.85 0.22 -1.43 2.03 -1.20 0.05 116.55 117.16 1jf9 n ASP 28 Ca 0.51 -3.06 0.07 0.00 0.52 0.00 0.00 54.79 52.83 1jf9 n ASP 28 Cb 0.91 -0.42 0.57 0.00 -0.72 0.00 0.00 41.12 41.46 1jf9 n ASP 28 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1jf9 h SER 29 N 1.30 0.06 0.14 1.67 0.02 -1.81 -1.93 113.55 113.00 1jf9 h SER 29 Ca -0.05 -0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1jf9 h SER 29 Cb 1.40 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.92 1jf9 h SER 29 CO 0.15 0.10 -0.10 0.00 -1.14 0.00 0.00 176.83 175.84 1jf9 h ALA 30 N 1.91 1.65 0.07 3.77 0.00 -1.92 -1.80 119.26 122.94 1jf9 h ALA 30 Ca 0.02 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 1jf9 h ALA 30 Cb 0.10 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.89 1jf9 h ALA 30 CO 0.00 0.12 -0.75 0.00 0.00 0.00 0.00 179.25 178.63 1jf9 h ALA 31 N 1.90 -0.01 -1.61 0.00 0.00 -1.75 -3.48 119.26 114.32 1jf9 h ALA 31 Ca -0.00 -0.64 0.07 0.00 0.00 0.00 0.00 54.91 54.34 1jf9 h ALA 31 Cb 0.19 0.07 -0.26 0.00 0.00 0.00 0.00 17.79 17.79 1jf9 h ALA 31 CO 0.01 0.39 0.40 0.45 0.00 0.00 0.00 179.25 180.50 1jf9 s SER 32 N -6.90 -0.50 0.34 0.00 0.15 -0.68 -4.88 113.70 101.22 1jf9 s SER 32 Ca -0.13 0.90 -0.05 0.00 0.70 0.00 0.00 55.95 57.36 1jf9 s SER 32 Cb 0.02 1.02 -0.05 0.00 -1.71 0.00 0.00 66.02 65.31 1jf9 s SER 32 CO 0.84 -0.15 0.62 0.00 1.20 0.00 0.00 173.24 175.74 1jf9 s ALA 33 N 0.67 3.55 0.70 5.45 0.00 -0.55 -3.89 121.76 127.69 1jf9 s ALA 33 Ca -0.02 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.31 1jf9 s ALA 33 Cb -0.05 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.70 1jf9 s ALA 33 CO -0.10 0.10 1.07 -0.65 0.00 0.00 0.00 175.76 176.18 1jf9 s GLN 34 N -3.81 2.91 -0.05 0.00 -1.52 -1.26 -4.77 119.66 111.15 1jf9 s GLN 34 Ca 0.45 0.76 0.06 0.00 -1.95 0.00 0.00 55.36 54.68 1jf9 s GLN 34 Cb -0.10 -2.00 -0.01 0.00 -0.22 0.00 0.00 33.01 30.67 1jf9 s GLN 34 CO 0.32 -1.07 -0.24 0.15 -0.25 0.00 0.00 175.29 174.20 1jf9 s LYS 35 N -5.15 2.48 0.74 2.91 3.01 -1.26 -4.44 119.74 118.03 1jf9 s LYS 35 Ca 0.58 -0.89 -0.11 0.00 -1.01 0.00 0.00 55.97 54.54 1jf9 s LYS 35 Cb -0.13 -2.17 0.04 0.00 -1.01 0.00 0.00 37.83 34.57 1jf9 s LYS 35 CO 0.54 0.43 1.09 -1.25 0.51 0.00 0.00 175.35 176.67 1jf9 s PRO 36 N -0.28 2.43 0.49 -1.68 0.04 -1.26 -4.49 135.00 130.25 1jf9 s PRO 36 Ca 0.00 1.18 0.22 0.00 0.04 0.00 0.00 61.00 62.44 1jf9 s PRO 36 Cb -0.13 -1.92 1.24 0.00 0.04 0.00 0.00 34.50 33.74 1jf9 s PRO 36 CO 0.03 -1.51 2.03 0.66 0.04 0.00 0.00 177.00 178.24 1jf9 h SER 37 N -0.87 0.00 -0.87 6.66 4.64 -1.01 -1.12 113.55 120.98 1jf9 h SER 37 Ca -0.44 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.90 1jf9 h SER 37 Cb 1.23 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.28 1jf9 h SER 37 CO 0.52 0.16 0.57 1.56 -0.87 0.00 0.00 176.83 178.78 1jf9 h GLN 38 N 0.00 1.11 -0.02 4.77 7.50 -1.92 0.87 115.11 127.43 1jf9 h GLN 38 Ca -0.00 -0.07 -0.08 0.00 0.50 0.00 0.00 58.65 59.01 1jf9 h GLN 38 Cb 0.35 -0.25 0.01 0.00 0.05 0.00 0.00 27.48 27.63 1jf9 h GLN 38 CO 0.02 0.74 -0.28 0.28 -1.50 0.00 0.00 178.83 178.09 1jf9 h VAL 39 N 1.15 1.50 -0.53 -0.54 2.07 -1.53 -2.03 116.25 116.33 1jf9 h VAL 39 Ca 0.33 -1.85 -0.01 0.00 0.82 0.00 0.00 66.70 65.99 1jf9 h VAL 39 Cb -0.09 2.60 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 1jf9 h VAL 39 CO -0.08 0.52 0.30 0.40 0.02 0.00 0.00 177.57 178.73 1jf9 h ILE 40 N -0.37 1.17 -0.07 4.57 2.04 -1.13 -2.86 117.51 120.85 1jf9 h ILE 40 Ca -0.03 -0.41 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 1jf9 h ILE 40 Cb 0.99 0.49 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1jf9 h ILE 40 CO 0.06 0.18 -0.59 0.44 0.00 0.00 0.00 178.15 178.23 1jf9 h ASP 41 N 0.70 0.28 -0.71 1.72 3.32 -0.93 -2.44 116.42 118.37 1jf9 h ASP 41 Ca 0.19 -0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1jf9 h ASP 41 Cb 0.02 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1jf9 h ASP 41 CO -0.03 0.81 0.40 0.00 -1.72 0.00 0.00 179.24 178.69 1jf9 h ALA 42 N 1.19 0.90 -0.13 3.45 0.00 -1.14 0.22 119.26 123.76 1jf9 h ALA 42 Ca -0.00 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1jf9 h ALA 42 Cb 1.09 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1jf9 h ALA 42 CO 0.09 0.41 -0.04 1.49 0.00 0.00 0.00 179.25 181.20 1jf9 h GLU 43 N 0.97 0.25 -0.56 0.00 4.81 -1.50 -2.27 114.58 116.27 1jf9 h GLU 43 Ca 0.25 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1jf9 h GLU 43 Cb 0.02 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1jf9 h GLU 43 CO -0.04 0.56 0.36 0.00 -0.73 0.00 0.00 179.01 179.16 1jf9 h ALA 44 N 0.69 0.72 -0.82 2.92 0.00 -1.26 -1.37 119.26 120.13 1jf9 h ALA 44 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jf9 h ALA 44 Cb 0.47 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1jf9 h ALA 44 CO 0.01 0.12 0.51 0.93 0.00 0.00 0.00 179.25 180.83 1jf9 h GLU 45 N 0.74 1.10 -0.24 0.00 5.08 -0.58 0.15 114.58 120.82 1jf9 h GLU 45 Ca 0.21 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1jf9 h GLU 45 Cb -0.06 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 1jf9 h GLU 45 CO -0.06 0.75 0.16 0.35 -1.00 0.00 0.00 179.01 179.21 1jf9 h PHE 46 N 1.12 0.30 -0.56 4.33 3.57 -0.97 -0.52 116.94 124.21 1jf9 h PHE 46 Ca 0.30 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.75 1jf9 h PHE 46 Cb -0.08 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1jf9 h PHE 46 CO -0.01 0.19 0.15 1.88 -2.23 0.00 0.00 178.31 178.30 1jf9 h TYR 47 N 0.32 0.88 0.00 0.41 0.05 -0.72 -0.81 116.97 117.10 1jf9 h TYR 47 Ca 0.09 -0.08 -0.05 0.00 0.05 0.00 0.00 58.73 58.74 1jf9 h TYR 47 Cb -0.03 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.44 1jf9 h TYR 47 CO -0.06 0.72 -0.24 0.00 -1.05 0.00 0.00 178.16 177.53 1jf9 h ARG 48 N 0.83 0.00 0.00 4.88 3.08 -0.34 -3.40 114.38 119.43 1jf9 h ARG 48 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1jf9 h ARG 48 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 1jf9 h ARG 48 CO -0.00 0.24 -0.61 1.58 -1.07 0.00 0.00 179.97 180.11 1jf9 n HIS 49 N -3.23 0.00 -1.25 3.04 -0.00 -0.24 -4.92 115.22 108.63 1jf9 n HIS 49 Ca 0.02 0.00 0.07 0.00 0.46 0.00 0.00 57.72 58.27 1jf9 n HIS 49 Cb 0.55 0.00 0.10 0.00 -0.12 0.00 0.00 29.99 30.53 1jf9 n HIS 49 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jf9 n GLY 50 N 2.13 3.82 3.74 1.57 0.00 -0.37 -5.06 105.19 111.02 1jf9 n GLY 50 Ca 0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.75 1jf9 n GLY 50 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jf9 s TYR 51 N -2.18 3.08 0.12 1.61 5.04 -0.83 -4.70 117.35 119.48 1jf9 s TYR 51 Ca 0.24 1.05 -0.26 0.00 -2.44 0.00 0.00 57.07 55.66 1jf9 s TYR 51 Cb 0.21 -3.77 0.07 0.00 0.35 0.00 0.00 41.96 38.82 1jf9 s TYR 51 CO 0.02 -2.50 0.95 0.00 -1.34 0.00 0.00 175.55 172.67 1jf9 s ALA 52 N 0.10 -1.70 0.72 3.97 0.00 -1.26 -4.91 121.76 118.69 1jf9 s ALA 52 Ca 0.59 0.32 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 1jf9 s ALA 52 Cb -0.41 0.59 0.03 0.00 0.00 0.00 0.00 23.12 23.34 1jf9 s ALA 52 CO 0.41 -0.97 1.10 0.00 0.00 0.00 0.00 175.76 176.31 1jf9 s ALA 53 N -3.24 2.33 -0.33 0.00 0.00 -1.26 -4.89 121.76 114.37 1jf9 s ALA 53 Ca 0.11 0.42 0.07 0.00 0.00 0.00 0.00 51.96 52.55 1jf9 s ALA 53 Cb -0.01 -3.30 0.46 0.00 0.00 0.00 0.00 23.12 20.26 1jf9 s ALA 53 CO -0.00 -1.58 1.35 1.33 0.00 0.00 0.00 175.76 176.86 1jf9 n VAL 54 N -3.02 2.63 -2.70 0.00 0.24 -1.26 -4.31 118.33 109.90 1jf9 n VAL 54 Ca 0.10 -3.65 -0.39 0.00 -2.04 0.00 0.00 64.34 58.35 1jf9 n VAL 54 Cb 0.52 -0.86 0.01 0.00 -1.47 0.00 0.00 33.84 32.05 1jf9 n VAL 54 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 1jf9 n HIS 55 N -0.87 2.91 -3.65 6.34 8.25 -1.26 -4.68 115.22 122.26 1jf9 n HIS 55 Ca 0.41 -2.75 -0.21 0.00 -0.26 0.00 0.00 57.72 54.91 1jf9 n HIS 55 Cb 0.90 -1.11 0.04 0.00 1.12 0.00 0.00 29.99 30.94 1jf9 n HIS 55 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jf9 n ARG 56 N -0.02 -5.09 -1.58 -0.41 5.12 -1.26 -4.93 116.66 108.49 1jf9 n ARG 56 Ca 0.44 0.66 -0.33 0.00 -1.93 0.00 0.00 57.85 56.68 1jf9 n ARG 56 Cb 0.28 -5.28 0.07 0.00 -1.16 0.00 0.00 32.46 26.37 1jf9 n ARG 56 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1jf9 s GLY 57 N -4.34 2.20 0.08 -0.13 0.00 -1.26 -4.95 107.32 98.92 1jf9 s GLY 57 Ca 0.01 0.67 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1jf9 s GLY 57 CO 0.80 1.04 1.19 -2.22 0.00 0.00 0.00 173.10 173.91 1jf9 h ILE 58 N -0.19 1.32 -4.18 0.90 5.03 -1.95 -3.30 117.51 115.14 1jf9 h ILE 58 Ca -0.47 -2.39 -0.52 0.00 -0.12 0.00 0.00 64.86 61.36 1jf9 h ILE 58 Cb 1.27 2.50 0.14 0.00 -3.03 0.00 0.00 36.82 37.69 1jf9 h ILE 58 CO 0.52 0.73 0.39 -1.38 -0.68 0.00 0.00 178.15 177.72 1jf9 s HIS 59 N -3.18 2.26 0.18 1.37 -3.43 -1.26 -4.72 115.29 106.51 1jf9 s HIS 59 Ca -0.08 1.58 -0.19 0.00 -0.80 0.00 0.00 55.06 55.57 1jf9 s HIS 59 Cb 0.07 -3.36 0.11 0.00 -1.43 0.00 0.00 32.58 27.97 1jf9 s HIS 59 CO 0.91 -2.25 1.63 1.15 -2.00 0.00 0.00 174.74 174.18 1jf9 h THR 60 N -0.15 0.39 -0.87 -5.38 2.02 -1.99 -0.93 112.91 106.01 1jf9 h THR 60 Ca -0.47 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 66.68 1jf9 h THR 60 Cb 1.28 0.39 -0.04 0.00 -1.74 0.00 0.00 68.15 68.04 1jf9 h THR 60 CO 0.51 0.00 0.46 -0.07 0.37 0.00 0.00 175.52 176.79 1jf9 h LEU 61 N -0.12 1.10 -0.51 2.58 4.07 -1.92 -0.12 115.31 120.39 1jf9 h LEU 61 Ca 0.21 -0.11 -0.13 0.00 0.08 0.00 0.00 57.88 57.92 1jf9 h LEU 61 Cb 0.44 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 1jf9 h LEU 61 CO -0.51 0.90 -0.24 -1.28 -1.08 0.00 0.00 178.44 176.23 1jf9 h SER 62 N 1.22 0.98 -0.50 -0.43 0.87 -1.63 0.07 113.55 114.12 1jf9 h SER 62 Ca 0.30 -0.38 -0.12 0.00 -1.23 0.00 0.00 61.79 60.36 1jf9 h SER 62 Cb 0.06 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 1jf9 h SER 62 CO -0.05 1.17 -0.16 0.00 -0.53 0.00 0.00 176.83 177.26 1jf9 h ALA 63 N 0.89 0.69 -0.27 6.23 0.00 -0.79 -0.74 119.26 125.28 1jf9 h ALA 63 Ca 0.10 -0.37 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1jf9 h ALA 63 Cb 0.82 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1jf9 h ALA 63 CO 0.07 0.65 -0.46 1.96 0.00 0.00 0.00 179.25 181.46 1jf9 h GLN 64 N 0.86 0.70 -0.59 0.00 4.20 -0.90 -2.61 115.11 116.77 1jf9 h GLN 64 Ca 0.12 -0.40 -0.09 0.00 0.06 0.00 0.00 58.65 58.35 1jf9 h GLN 64 Cb 0.73 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1jf9 h GLN 64 CO 0.06 1.01 0.01 0.00 -0.67 0.00 0.00 178.83 179.24 1jf9 h ALA 65 N 0.92 0.91 -0.71 3.87 0.00 -0.84 -0.30 119.26 123.11 1jf9 h ALA 65 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1jf9 h ALA 65 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1jf9 h ALA 65 CO 0.10 0.65 0.37 1.15 0.00 0.00 0.00 179.25 181.52 1jf9 h THR 66 N 0.93 1.22 -0.38 0.00 2.02 -1.02 -1.36 112.91 114.33 1jf9 h THR 66 Ca 0.17 -0.59 -0.13 0.00 0.77 0.00 0.00 66.41 66.64 1jf9 h THR 66 Cb 0.53 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1jf9 h THR 66 CO 0.03 0.25 -0.27 -0.08 0.37 0.00 0.00 175.52 175.82 1jf9 h GLU 67 N 0.98 0.79 -0.64 6.66 4.81 -1.17 -0.96 114.58 125.05 1jf9 h GLU 67 Ca 0.25 -0.35 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1jf9 h GLU 67 Cb 0.07 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1jf9 h GLU 67 CO -0.04 0.97 0.37 0.87 -0.73 0.00 0.00 179.01 180.46 1jf9 h LYS 68 N 0.68 0.88 -0.23 1.92 1.57 -0.50 -0.11 116.57 120.78 1jf9 h LYS 68 Ca 0.08 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1jf9 h LYS 68 Cb 0.80 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1jf9 h LYS 68 CO 0.07 0.65 0.09 1.98 -0.57 0.00 0.00 179.45 181.67 1jf9 h MET 69 N 0.88 0.35 0.00 3.15 4.05 -1.00 -1.68 114.93 120.67 1jf9 h MET 69 Ca 0.23 -0.06 -0.08 0.00 -0.28 0.00 0.00 59.70 59.51 1jf9 h MET 69 Cb 0.00 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 1jf9 h MET 69 CO -0.04 0.40 -0.36 0.93 0.23 0.00 0.00 176.91 178.07 1jf9 h GLU 70 N 0.22 0.00 -0.27 0.39 4.39 -1.04 -2.01 114.58 116.27 1jf9 h GLU 70 Ca 0.08 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.66 1jf9 h GLU 70 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.82 1jf9 h GLU 70 CO -0.01 0.36 -0.34 -0.91 -1.16 0.00 0.00 179.01 176.96 1jf9 h ASN 71 N 0.00 0.61 -0.24 1.42 2.35 -0.82 -1.85 115.58 117.06 1jf9 h ASN 71 Ca -0.00 -0.25 -0.09 0.00 -0.55 0.00 0.00 56.30 55.40 1jf9 h ASN 71 Cb 0.73 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 1jf9 h ASN 71 CO 0.05 0.91 -0.16 0.58 -1.65 0.00 0.00 177.43 177.15 1jf9 h VAL 72 N 0.50 1.26 -0.60 2.81 2.07 -0.71 0.45 116.25 122.03 1jf9 h VAL 72 Ca 0.06 -1.19 0.01 0.00 0.82 0.00 0.00 66.70 66.40 1jf9 h VAL 72 Cb 0.82 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 1jf9 h VAL 72 CO 0.07 0.40 0.39 -0.09 0.02 0.00 0.00 177.57 178.36 1jf9 h ARG 73 N 0.60 0.77 -0.31 1.57 2.43 -0.98 0.27 114.38 118.72 1jf9 h ARG 73 Ca 0.10 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1jf9 h ARG 73 Cb 0.61 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 1jf9 h ARG 73 CO 0.04 0.51 0.05 -0.22 -1.51 0.00 0.00 179.97 178.84 1jf9 h LYS 74 N 0.79 0.51 -0.83 0.20 1.63 -1.04 -2.15 116.57 115.68 1jf9 h LYS 74 Ca 0.23 -0.14 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1jf9 h LYS 74 Cb -0.06 -0.06 -0.04 0.00 -0.60 0.00 0.00 32.23 31.47 1jf9 h LYS 74 CO -0.07 0.61 0.54 -0.09 -3.45 0.00 0.00 179.45 176.99 1jf9 h ARG 75 N 0.34 1.10 -0.52 1.90 2.43 -0.41 -1.84 114.38 117.38 1jf9 h ARG 75 Ca 0.10 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1jf9 h ARG 75 Cb 0.34 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1jf9 h ARG 75 CO 0.01 0.74 0.07 0.00 -1.51 0.00 0.00 179.97 179.27 1jf9 h ALA 76 N 1.30 1.14 -0.55 2.80 0.00 -0.93 -1.21 119.26 121.81 1jf9 h ALA 76 Ca 0.30 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1jf9 h ALA 76 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1jf9 h ALA 76 CO -0.06 0.56 0.03 0.66 0.00 0.00 0.00 179.25 180.44 1jf9 h SER 77 N 0.79 0.90 0.11 0.00 4.64 -0.79 -2.52 113.55 116.68 1jf9 h SER 77 Ca 0.16 -0.23 -0.15 0.00 -0.47 0.00 0.00 61.79 61.11 1jf9 h SER 77 Cb 0.37 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1jf9 h SER 77 CO 0.01 0.94 -0.52 -0.07 -0.87 0.00 0.00 176.83 176.32 1jf9 h LEU 78 N 0.87 0.50 -1.20 5.97 3.38 -1.15 0.16 115.31 123.84 1jf9 h LEU 78 Ca 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1jf9 h LEU 78 Cb 0.47 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 1jf9 h LEU 78 CO 0.02 0.93 0.26 0.15 0.09 0.00 0.00 178.44 179.89 1jf9 h PHE 79 N 0.36 0.82 -0.56 1.13 3.57 -0.80 -2.17 116.94 119.29 1jf9 h PHE 79 Ca 0.01 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jf9 h PHE 79 Cb 1.03 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.51 1jf9 h PHE 79 CO 0.04 0.61 0.00 0.44 -2.23 0.00 0.00 178.31 177.17 1jf9 n ILE 80 N -4.35 0.79 -3.62 1.41 -5.35 -1.05 -4.51 119.36 102.67 1jf9 n ILE 80 Ca 0.05 -0.89 -0.23 0.00 -0.27 0.00 0.00 62.75 61.40 1jf9 n ILE 80 Cb 0.14 0.71 0.07 0.00 -1.74 0.00 0.00 39.64 38.82 1jf9 n ILE 80 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1jf9 n ASN 81 N 1.48 -5.18 -4.80 7.28 5.15 -0.71 -1.14 115.26 117.34 1jf9 n ASN 81 Ca 0.21 -0.60 -0.32 0.00 -0.60 0.00 0.00 54.58 53.27 1jf9 n ASN 81 Cb 0.59 -4.85 0.04 0.00 -0.53 0.00 0.00 39.78 35.03 1jf9 n ASN 81 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1jf9 s ALA 82 N -3.34 2.66 0.32 5.20 0.00 0.47 -3.91 121.76 123.16 1jf9 s ALA 82 Ca 0.47 0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.80 1jf9 s ALA 82 Cb -0.21 -3.22 0.55 0.00 0.00 0.00 0.00 23.12 20.23 1jf9 s ALA 82 CO 0.75 -1.08 1.74 0.00 0.00 0.00 0.00 175.76 177.16 1jf9 h ARG 83 N -0.18 0.10 -3.41 0.00 3.08 -1.94 -3.43 114.38 108.61 1jf9 h ARG 83 Ca -0.45 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.41 1jf9 h ARG 83 Cb 1.22 -0.00 -0.20 0.00 0.08 0.00 0.00 29.97 31.06 1jf9 h ARG 83 CO 0.56 0.52 -0.44 0.45 -1.07 0.00 0.00 179.97 179.99 1jf9 s SER 84 N -6.90 -0.02 0.53 7.04 0.15 -1.26 -5.02 113.70 108.23 1jf9 s SER 84 Ca -0.03 -0.15 0.21 0.00 0.70 0.00 0.00 55.95 56.68 1jf9 s SER 84 Cb 0.14 0.23 1.43 0.00 -1.71 0.00 0.00 66.02 66.11 1jf9 s SER 84 CO 0.75 -0.39 2.16 0.00 1.20 0.00 0.00 173.24 176.96 1jf9 h ALA 85 N 4.15 1.76 0.00 5.45 0.00 -1.88 -2.71 119.26 126.04 1jf9 h ALA 85 Ca -0.31 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jf9 h ALA 85 Cb 1.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1jf9 h ALA 85 CO 0.41 0.04 0.00 0.39 0.00 0.00 0.00 179.25 180.08 1jf9 n GLU 86 N -4.23 0.65 0.00 0.00 4.71 -1.26 -2.23 120.64 118.28 1jf9 n GLU 86 Ca -0.03 0.02 0.13 0.00 -0.01 0.00 0.00 57.16 57.27 1jf9 n GLU 86 Cb 0.11 -1.50 0.43 0.00 -1.01 0.00 0.00 31.44 29.47 1jf9 n GLU 86 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1jf9 n GLU 87 N -1.07 1.16 -4.65 3.49 1.02 -1.02 -3.53 120.64 116.03 1jf9 n GLU 87 Ca 0.16 -0.68 -0.33 0.00 -0.02 0.00 0.00 57.16 56.29 1jf9 n GLU 87 Cb 0.11 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 1jf9 n GLU 87 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jf9 s LEU 88 N -2.31 2.96 -0.10 -4.62 1.02 -0.95 -0.79 118.68 113.90 1jf9 s LEU 88 Ca 0.29 -0.20 0.02 0.00 0.02 0.00 0.00 54.13 54.27 1jf9 s LEU 88 Cb 0.20 -1.67 -0.02 0.00 0.02 0.00 0.00 46.19 44.72 1jf9 s LEU 88 CO 0.45 0.22 -0.16 -0.69 0.02 0.00 0.00 176.35 176.19 1jf9 s VAL 89 N 0.01 2.81 -0.10 -1.59 1.01 0.18 -4.75 120.40 117.98 1jf9 s VAL 89 Ca -0.02 -0.77 -0.28 0.00 0.00 0.00 0.00 61.98 60.91 1jf9 s VAL 89 Cb -0.14 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 1jf9 s VAL 89 CO 0.04 0.55 0.92 -0.36 0.00 0.00 0.00 175.10 176.25 1jf9 s PHE 90 N 0.01 3.53 0.35 5.22 0.08 -1.26 -1.05 117.98 124.85 1jf9 s PHE 90 Ca -0.05 1.49 0.02 0.00 0.12 0.00 0.00 56.93 58.51 1jf9 s PHE 90 Cb -0.15 -3.09 -0.01 0.00 -0.57 0.00 0.00 43.02 39.21 1jf9 s PHE 90 CO 0.04 -0.15 0.08 1.33 -0.10 0.00 0.00 175.22 176.43 1jf9 n VAL 91 N 4.37 0.00 0.14 -0.44 0.24 -0.68 -4.89 118.33 117.07 1jf9 n VAL 91 Ca 0.06 -1.89 0.01 0.00 -2.04 0.00 0.00 64.34 60.47 1jf9 n VAL 91 Cb 0.49 0.58 0.16 0.00 -1.47 0.00 0.00 33.84 33.61 1jf9 n VAL 91 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1jf9 h ARG 92 N 0.00 0.00 0.00 7.34 2.43 -1.84 0.26 114.38 122.57 1jf9 h ARG 92 Ca -0.28 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 1jf9 h ARG 92 Cb 0.98 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1jf9 h ARG 92 CO 0.45 0.58 0.00 0.41 -1.51 0.00 0.00 179.97 179.90 1jf9 n GLY 93 N 0.55 -1.79 0.26 2.80 0.00 -1.26 -1.13 105.19 104.62 1jf9 n GLY 93 Ca -0.00 -1.12 0.04 0.00 0.00 0.00 0.00 46.02 44.94 1jf9 n GLY 93 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jf9 h THR 94 N 0.00 0.63 -0.14 2.61 2.02 -1.89 -1.85 112.91 114.29 1jf9 h THR 94 Ca 0.00 -0.12 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jf9 h THR 94 Cb 0.00 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 66.64 1jf9 h THR 94 CO 0.00 0.07 0.05 0.74 0.37 0.00 0.00 175.52 176.74 1jf9 h THR 95 N 0.36 0.96 -0.79 3.16 2.02 -1.93 -1.29 112.91 115.40 1jf9 h THR 95 Ca 0.38 -0.04 -0.04 0.00 0.77 0.00 0.00 66.41 67.48 1jf9 h THR 95 Cb 0.58 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 67.79 1jf9 h THR 95 CO -0.42 0.02 0.35 -0.08 0.37 0.00 0.00 175.52 175.77 1jf9 h GLU 96 N 0.12 1.15 -0.30 6.66 4.81 -1.84 -1.84 114.58 123.34 1jf9 h GLU 96 Ca 0.06 -0.19 0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1jf9 h GLU 96 Cb 0.04 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 29.16 1jf9 h GLU 96 CO -0.07 0.91 -0.06 0.78 -0.73 0.00 0.00 179.01 179.84 1jf9 h GLY 97 N 1.13 0.23 1.03 1.92 0.00 -0.86 0.46 103.07 106.97 1jf9 h GLY 97 Ca 0.27 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 1jf9 h GLY 97 CO -0.03 -0.11 0.32 -2.22 0.00 0.00 0.00 176.54 174.51 1jf9 h ILE 98 N 0.01 1.25 -0.72 2.60 2.04 -1.03 -2.32 117.51 119.34 1jf9 h ILE 98 Ca 0.14 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.21 1jf9 h ILE 98 Cb 0.22 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1jf9 h ILE 98 CO -0.30 0.31 0.27 0.78 0.00 0.00 0.00 178.15 179.21 1jf9 h ASN 99 N 1.06 1.00 -0.23 1.72 2.35 -0.83 -0.44 115.58 120.20 1jf9 h ASN 99 Ca 0.25 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1jf9 h ASN 99 Cb 0.18 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1jf9 h ASN 99 CO -0.02 0.90 0.13 0.25 -1.65 0.00 0.00 177.43 177.03 1jf9 h LEU 100 N 1.05 0.29 -0.16 1.61 6.46 -0.59 -1.57 115.31 122.40 1jf9 h LEU 100 Ca 0.24 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.90 1jf9 h LEU 100 Cb 0.23 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1jf9 h LEU 100 CO -0.02 0.29 0.07 0.58 -0.62 0.00 0.00 178.44 178.74 1jf9 h VAL 101 N 0.26 1.15 -0.75 1.05 2.07 -1.27 0.32 116.25 119.09 1jf9 h VAL 101 Ca 0.08 -0.45 0.09 0.00 0.82 0.00 0.00 66.70 67.24 1jf9 h VAL 101 Cb 0.07 1.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 1jf9 h VAL 101 CO -0.01 0.14 0.49 0.00 0.02 0.00 0.00 177.57 178.21 1jf9 h ALA 102 N 0.91 1.78 0.00 1.67 0.00 -0.94 0.19 119.26 122.88 1jf9 h ALA 102 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jf9 h ALA 102 Cb 0.16 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1jf9 h ALA 102 CO -0.00 0.07 -0.47 -0.91 0.00 0.00 0.00 179.25 177.94 1jf9 h ASN 103 N 0.70 0.00 -0.10 0.00 4.21 -1.07 -3.07 115.58 116.24 1jf9 h ASN 103 Ca 0.34 -0.11 -0.01 0.00 1.21 0.00 0.00 56.30 57.73 1jf9 h ASN 103 Cb 0.42 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 1jf9 h ASN 103 CO -0.12 0.80 0.03 -1.28 -1.29 0.00 0.00 177.43 175.57 1jf9 h SER 104 N -1.00 0.16 0.10 5.81 0.87 -0.91 -0.63 113.55 117.95 1jf9 h SER 104 Ca -0.05 -0.22 -0.28 0.00 -1.23 0.00 0.00 61.79 60.01 1jf9 h SER 104 Cb 0.52 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.43 1jf9 h SER 104 CO -0.03 0.34 -1.47 -0.25 -0.53 0.00 0.00 176.83 174.89 1jf9 h TRP 105 N -0.03 0.40 -0.12 2.24 7.01 -0.86 -3.35 115.95 121.24 1jf9 h TRP 105 Ca 0.03 -0.29 0.02 0.00 2.11 0.00 0.00 58.89 60.76 1jf9 h TRP 105 Cb 0.24 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1jf9 h TRP 105 CO 0.00 1.58 -0.00 0.78 -2.79 0.00 0.00 178.44 178.01 1jf9 h GLY 106 N 0.10 0.10 1.66 2.65 0.00 -0.96 -1.31 103.07 105.31 1jf9 h GLY 106 Ca -0.32 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 1jf9 h GLY 106 CO 0.03 -0.02 0.16 3.43 0.00 0.00 0.00 176.54 180.15 1jf9 h ASN 107 N 0.04 0.40 0.59 0.19 2.35 -1.06 -1.01 115.58 117.08 1jf9 h ASN 107 Ca 0.05 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1jf9 h ASN 107 Cb 0.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1jf9 h ASN 107 CO -0.09 0.34 -0.71 -1.54 -1.65 0.00 0.00 177.43 173.77 1jf9 n SER 108 N -4.43 0.62 -0.00 5.81 3.41 -1.05 -4.50 113.62 113.48 1jf9 n SER 108 Ca 0.02 -0.13 0.01 0.00 -0.26 0.00 0.00 58.87 58.51 1jf9 n SER 108 Cb 0.11 0.40 -0.01 0.00 -0.26 0.00 0.00 64.21 64.45 1jf9 n SER 108 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jf9 n ASN 109 N -1.85 0.07 -4.26 4.04 4.13 -0.52 -4.96 115.26 111.91 1jf9 n ASN 109 Ca 0.04 -0.54 -0.35 0.00 1.68 0.00 0.00 54.58 55.41 1jf9 n ASN 109 Cb 0.40 1.00 -0.14 0.00 -1.54 0.00 0.00 39.78 39.49 1jf9 n ASN 109 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1jf9 s VAL 110 N -1.13 3.03 0.45 2.41 1.01 -0.42 -4.96 120.40 120.78 1jf9 s VAL 110 Ca 0.01 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1jf9 s VAL 110 Cb 0.01 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 1jf9 s VAL 110 CO 0.06 0.43 0.10 -0.13 0.00 0.00 0.00 175.10 175.56 1jf9 s ARG 111 N 1.42 2.13 0.24 2.72 0.52 -1.26 -4.80 118.95 119.92 1jf9 s ARG 111 Ca 0.05 -2.07 -0.31 0.00 -0.52 0.00 0.00 55.73 52.87 1jf9 s ARG 111 Cb -0.14 -1.78 -0.13 0.00 0.52 0.00 0.00 34.95 33.42 1jf9 s ARG 111 CO -0.06 -0.19 1.40 0.00 0.02 0.00 0.00 175.30 176.47 1jf9 n ALA 112 N -1.20 1.03 -0.41 2.13 0.00 -0.88 -1.04 120.51 120.13 1jf9 n ALA 112 Ca -0.06 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1jf9 n ALA 112 Cb 0.66 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.85 1jf9 n ALA 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jf9 n GLY 113 N 2.16 1.28 3.95 0.00 0.00 -0.60 -4.96 105.19 107.01 1jf9 n GLY 113 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1jf9 n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jf9 s ASP 114 N -3.13 4.61 0.16 1.61 1.01 -0.21 -4.89 116.67 115.84 1jf9 s ASP 114 Ca 0.00 0.23 0.03 0.00 0.71 0.00 0.00 52.55 53.52 1jf9 s ASP 114 Cb 0.00 -0.80 -0.05 0.00 1.01 0.00 0.00 42.92 43.09 1jf9 s ASP 114 CO 0.00 -1.70 -0.05 0.54 0.21 0.00 0.00 175.17 174.16 1jf9 s ASN 115 N -4.58 1.56 -0.01 0.27 2.20 -0.61 -1.15 114.94 112.62 1jf9 s ASN 115 Ca 0.62 -1.09 0.02 0.00 -0.94 0.00 0.00 52.86 51.47 1jf9 s ASN 115 Cb -0.09 0.04 0.00 0.00 -2.00 0.00 0.00 41.25 39.20 1jf9 s ASN 115 CO 0.45 -0.44 -0.05 -0.63 -2.94 0.00 0.00 177.10 173.48 1jf9 s ILE 116 N -3.47 0.48 -0.15 0.54 1.01 -0.32 -0.84 121.20 118.45 1jf9 s ILE 116 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 1jf9 s ILE 116 Cb 0.04 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 42.06 1jf9 s ILE 116 CO 0.02 0.15 -0.07 -0.63 0.00 0.00 0.00 174.94 174.42 1jf9 s ILE 117 N 0.11 3.62 0.11 2.92 1.01 -0.37 0.63 121.20 129.24 1jf9 s ILE 117 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.19 1jf9 s ILE 117 Cb -0.05 -2.57 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 1jf9 s ILE 117 CO -0.00 0.50 0.01 2.30 0.00 0.00 0.00 174.94 177.75 1jf9 n ILE 118 N 3.54 0.00 -4.52 2.92 -5.35 0.06 -0.86 119.36 115.15 1jf9 n ILE 118 Ca -0.18 -0.57 -0.25 0.00 -0.27 0.00 0.00 62.75 61.49 1jf9 n ILE 118 Cb 0.53 0.14 -0.11 0.00 -1.74 0.00 0.00 39.64 38.46 1jf9 n ILE 118 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1jf9 s SER 119 N -1.65 3.28 0.01 7.28 1.04 -1.26 -0.43 113.70 121.97 1jf9 s SER 119 Ca 0.02 -1.29 0.28 0.00 0.48 0.00 0.00 55.95 55.44 1jf9 s SER 119 Cb 0.00 -0.27 1.18 0.00 0.10 0.00 0.00 66.02 67.03 1jf9 s SER 119 CO 0.01 -0.40 1.89 1.67 0.98 0.00 0.00 173.24 177.40 1jf9 n GLN 120 N -0.78 0.01 0.00 4.02 7.27 -0.30 -2.93 117.38 124.67 1jf9 n GLN 120 Ca -0.05 0.03 0.13 0.00 0.07 0.00 0.00 57.00 57.18 1jf9 n GLN 120 Cb 0.65 -1.51 0.27 0.00 2.41 0.00 0.00 30.24 32.06 1jf9 n GLN 120 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jf9 n MET 121 N -1.53 1.41 -1.77 3.69 0.00 -1.26 -3.30 117.12 114.37 1jf9 n MET 121 Ca 0.07 -1.00 -0.38 0.00 0.00 0.00 0.00 57.70 56.39 1jf9 n MET 121 Cb 0.33 -1.48 0.05 0.00 0.00 0.00 0.00 33.22 32.12 1jf9 n MET 121 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1jf9 s GLU 122 N -2.28 2.90 0.64 3.17 0.41 -1.15 -4.85 118.70 117.54 1jf9 s GLU 122 Ca 0.27 2.16 -0.15 0.00 -0.41 0.00 0.00 54.97 56.84 1jf9 s GLU 122 Cb 0.20 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.45 1jf9 s GLU 122 CO 0.45 -1.36 1.08 -1.58 -0.49 0.00 0.00 175.26 173.36 1jf9 s HIS 123 N -1.34 2.81 0.46 1.61 5.65 -1.26 -4.67 115.29 118.54 1jf9 s HIS 123 Ca 0.76 1.53 0.20 0.00 0.25 0.00 0.00 55.06 57.79 1jf9 s HIS 123 Cb -0.39 -3.07 1.18 0.00 -1.18 0.00 0.00 32.58 29.12 1jf9 s HIS 123 CO 0.44 -1.42 1.93 0.45 -0.65 0.00 0.00 174.74 175.50 1jf9 h HIS 124 N 0.09 0.32 -0.53 3.88 3.86 -0.79 -0.34 115.15 121.64 1jf9 h HIS 124 Ca -0.46 0.01 0.10 0.00 -1.16 0.00 0.00 60.37 58.85 1jf9 h HIS 124 Cb 1.23 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.57 1jf9 h HIS 124 CO 0.57 0.12 0.36 0.00 0.86 0.00 0.00 177.93 179.84 1jf9 h ALA 125 N 1.66 2.08 -0.71 2.45 0.00 -1.92 -1.27 119.26 121.56 1jf9 h ALA 125 Ca 0.35 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.92 1jf9 h ALA 125 Cb 0.98 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 18.51 1jf9 h ALA 125 CO -0.08 -0.20 0.32 -1.71 0.00 0.00 0.00 179.25 177.57 1jf9 n ASN 126 N -4.46 3.55 0.09 0.00 5.15 -0.14 -4.47 115.26 114.97 1jf9 n ASN 126 Ca 0.09 -3.56 0.00 0.00 -0.60 0.00 0.00 54.58 50.50 1jf9 n ASN 126 Cb 0.38 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 1jf9 n ASN 126 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1jf9 n ILE 127 N -0.93 0.44 -0.08 -1.44 5.41 -0.76 -4.84 119.36 117.17 1jf9 n ILE 127 Ca 0.46 0.15 -0.08 0.00 1.00 0.00 0.00 62.75 64.27 1jf9 n ILE 127 Cb 1.38 -0.97 -0.01 0.00 -0.71 0.00 0.00 39.64 39.33 1jf9 n ILE 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1jf9 h VAL 128 N 0.00 0.98 -0.62 1.39 2.07 -1.50 -0.78 116.25 117.80 1jf9 h VAL 128 Ca 0.00 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.50 1jf9 h VAL 128 Cb 0.08 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1jf9 h VAL 128 CO 0.00 0.05 0.41 -0.65 0.02 0.00 0.00 177.57 177.40 1jf9 h PRO 129 N 0.29 0.50 -0.00 1.57 0.11 -1.79 -0.13 132.00 132.54 1jf9 h PRO 129 Ca 0.12 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.97 1jf9 h PRO 129 Cb 0.04 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.05 1jf9 h PRO 129 CO -0.09 0.33 -0.94 -1.49 -0.21 0.00 0.00 178.00 175.60 1jf9 h TRP 130 N 0.51 0.63 -0.70 0.65 4.06 -1.66 -1.39 115.95 118.05 1jf9 h TRP 130 Ca 0.28 -0.34 -0.01 0.00 2.06 0.00 0.00 58.89 60.88 1jf9 h TRP 130 Cb 0.42 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.47 1jf9 h TRP 130 CO -0.00 1.16 0.40 1.96 -3.56 0.00 0.00 178.44 178.40 1jf9 h GLN 131 N 0.24 0.97 -0.23 0.49 4.20 -0.55 0.14 115.11 120.37 1jf9 h GLN 131 Ca -0.08 -0.10 -0.03 0.00 0.06 0.00 0.00 58.65 58.50 1jf9 h GLN 131 Cb 1.58 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.15 1jf9 h GLN 131 CO 0.16 0.71 0.04 0.52 -0.67 0.00 0.00 178.83 179.59 1jf9 h MET 132 N 0.96 0.38 -0.31 1.46 2.86 -0.99 -1.73 114.93 117.56 1jf9 h MET 132 Ca 0.25 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1jf9 h MET 132 Cb 0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 1jf9 h MET 132 CO -0.04 0.52 0.18 1.25 1.06 0.00 0.00 176.91 179.88 1jf9 h LEU 133 N 0.19 0.28 -1.17 1.22 5.85 -0.94 -0.29 115.31 120.45 1jf9 h LEU 133 Ca 0.07 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1jf9 h LEU 133 Cb 0.32 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1jf9 h LEU 133 CO 0.00 0.21 0.57 0.00 -0.34 0.00 0.00 178.44 178.88 1jf9 h ALA 135 N 1.50 0.58 -0.45 0.00 0.00 -1.11 0.06 119.26 119.83 1jf9 h ALA 135 Ca 0.35 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 1jf9 h ALA 135 Cb 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1jf9 h ALA 135 CO -0.11 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1jf9 h ARG 136 N 0.57 0.80 -0.02 0.00 3.08 0.15 -3.35 114.38 115.61 1jf9 h ARG 136 Ca 0.01 -0.25 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1jf9 h ARG 136 Cb 1.12 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.10 1jf9 h ARG 136 CO 0.11 0.86 -0.23 1.33 -1.07 0.00 0.00 179.97 180.97 1jf9 n VAL 137 N -4.38 0.00 -2.32 2.04 0.24 -0.52 -5.00 118.33 108.40 1jf9 n VAL 137 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1jf9 n VAL 137 Cb 0.30 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.95 1jf9 n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jf9 n GLY 138 N 1.15 0.86 3.81 7.63 0.00 -0.12 -2.07 105.19 116.45 1jf9 n GLY 138 Ca 0.09 -0.69 -0.23 0.00 0.00 0.00 0.00 46.02 45.18 1jf9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jf9 s ALA 139 N -2.78 3.84 -0.10 4.61 0.00 -0.45 -1.56 121.76 125.30 1jf9 s ALA 139 Ca 0.00 -1.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.00 1jf9 s ALA 139 Cb 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 23.12 22.44 1jf9 s ALA 139 CO 0.00 -0.21 -0.07 -2.00 0.00 0.00 0.00 175.76 173.48 1jf9 s GLU 140 N -4.02 3.13 -0.44 0.00 2.12 -0.30 -4.62 118.70 114.57 1jf9 s GLU 140 Ca 0.43 -0.56 -0.18 0.00 0.36 0.00 0.00 54.97 55.01 1jf9 s GLU 140 Cb 0.01 -2.69 0.03 0.00 0.26 0.00 0.00 34.13 31.73 1jf9 s GLU 140 CO 0.24 0.46 0.51 -1.17 -0.54 0.00 0.00 175.26 174.77 1jf9 s LEU 141 N -0.26 4.83 0.09 2.70 2.96 -1.26 -1.17 118.68 126.56 1jf9 s LEU 141 Ca 0.03 -0.66 -0.00 0.00 -0.22 0.00 0.00 54.13 53.28 1jf9 s LEU 141 Cb -0.13 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 1jf9 s LEU 141 CO 0.03 -0.68 0.24 -0.13 -1.32 0.00 0.00 176.35 174.49 1jf9 s ARG 142 N 2.36 3.46 -0.12 1.98 0.52 0.21 -4.98 118.95 122.38 1jf9 s ARG 142 Ca 0.15 -0.42 0.01 0.00 -0.52 0.00 0.00 55.73 54.94 1jf9 s ARG 142 Cb -0.17 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.32 1jf9 s ARG 142 CO 0.14 0.58 -0.12 0.08 0.02 0.00 0.00 175.30 176.00 1jf9 s VAL 143 N -1.57 1.35 -0.13 3.52 1.01 -1.26 -0.76 120.40 122.57 1jf9 s VAL 143 Ca 0.36 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1jf9 s VAL 143 Cb -0.13 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 1jf9 s VAL 143 CO 0.28 0.42 1.18 -0.63 0.00 0.00 0.00 175.10 176.35 1jf9 s ILE 144 N 1.33 4.38 0.75 2.22 1.01 0.43 -4.88 121.20 126.45 1jf9 s ILE 144 Ca -0.00 1.68 -0.11 0.00 0.00 0.00 0.00 60.65 62.22 1jf9 s ILE 144 Cb -0.14 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.29 1jf9 s ILE 144 CO -0.06 -0.08 1.10 -2.16 0.00 0.00 0.00 174.94 173.74 1jf9 s PRO 145 N 2.83 2.47 0.21 2.79 0.04 -1.26 -1.15 135.00 140.93 1jf9 s PRO 145 Ca 0.53 0.55 -0.01 0.00 0.04 0.00 0.00 61.00 62.11 1jf9 s PRO 145 Cb -0.21 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 1jf9 s PRO 145 CO 0.16 -1.33 0.41 -0.51 0.04 0.00 0.00 177.00 175.77 1jf9 s LEU 146 N -5.57 4.21 0.24 -3.56 1.43 -1.26 -0.62 118.68 113.55 1jf9 s LEU 146 Ca 0.59 0.41 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 1jf9 s LEU 146 Cb -0.13 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.88 1jf9 s LEU 146 CO 0.53 -0.06 0.40 0.20 0.23 0.00 0.00 176.35 177.64 1jf9 s ASN 147 N -3.24 6.33 0.40 2.29 0.02 0.75 -4.71 114.94 116.79 1jf9 s ASN 147 Ca 0.39 0.25 0.14 0.00 -1.02 0.00 0.00 52.86 52.62 1jf9 s ASN 147 Cb -0.11 -1.94 0.99 0.00 0.02 0.00 0.00 41.25 40.21 1jf9 s ASN 147 CO 0.29 -0.09 1.88 -0.65 0.02 0.00 0.00 177.10 178.55 1jf9 h PRO 148 N 1.44 0.48 0.00 -0.60 0.11 -2.00 -0.25 132.00 131.18 1jf9 h PRO 148 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1jf9 h PRO 148 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jf9 h PRO 148 CO 0.64 0.32 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 1jf9 n ASP 149 N -4.52 0.00 0.00 -2.05 5.75 -1.26 -4.63 116.55 109.84 1jf9 n ASP 149 Ca 0.17 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.50 1jf9 n ASP 149 Cb 0.57 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.66 1jf9 n ASP 149 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jf9 n GLY 150 N 0.34 0.63 3.89 6.12 0.00 -0.10 -1.55 105.19 114.50 1jf9 n GLY 150 Ca 0.03 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 1jf9 n GLY 150 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jf9 s THR 151 N -2.00 4.89 0.34 2.61 -4.23 -1.25 -4.77 115.64 111.23 1jf9 s THR 151 Ca 0.00 -1.03 -0.27 0.00 -1.18 0.00 0.00 61.69 59.20 1jf9 s THR 151 Cb 0.00 -3.58 -0.09 0.00 1.34 0.00 0.00 72.50 70.17 1jf9 s THR 151 CO 0.00 -0.22 1.15 -0.76 -0.54 0.00 0.00 174.62 174.26 1jf9 s LEU 152 N -3.53 4.37 -1.22 4.79 1.43 -1.26 -0.18 118.68 123.08 1jf9 s LEU 152 Ca 0.33 2.34 -0.20 0.00 -1.03 0.00 0.00 54.13 55.58 1jf9 s LEU 152 Cb -0.10 -3.82 0.03 0.00 0.03 0.00 0.00 46.19 42.34 1jf9 s LEU 152 CO 0.26 -0.42 1.75 -1.10 0.23 0.00 0.00 176.35 177.07 1jf9 s GLN 153 N -1.89 3.58 0.45 1.70 -0.21 0.21 -4.76 119.66 118.74 1jf9 s GLN 153 Ca 0.51 -1.65 0.31 0.00 0.02 0.00 0.00 55.36 54.55 1jf9 s GLN 153 Cb -0.32 -5.44 1.40 0.00 1.00 0.00 0.00 33.01 29.65 1jf9 s GLN 153 CO 0.41 -2.64 1.92 -0.07 -2.12 0.00 0.00 175.29 172.79 1jf9 h LEU 154 N 13.83 0.00 -1.60 2.90 3.38 -1.93 -2.49 115.31 129.41 1jf9 h LEU 154 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1jf9 h LEU 154 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1jf9 h LEU 154 CO 1.40 0.00 0.00 -0.33 0.09 0.00 0.00 178.44 179.60 1jf9 h GLU 155 N 0.00 0.00 -0.00 1.13 3.07 -1.99 -1.95 114.58 114.84 1jf9 h GLU 155 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jf9 h GLU 155 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 1jf9 h GLU 155 CO 0.00 0.00 -0.02 0.25 -1.40 0.00 0.00 179.01 177.84 1jf9 n THR 156 N -2.66 0.00 -0.36 1.13 -2.24 -0.94 -4.26 114.28 104.95 1jf9 n THR 156 Ca -0.00 -0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 1jf9 n THR 156 Cb 0.17 -0.46 0.19 0.00 -2.10 0.00 0.00 70.33 68.12 1jf9 n THR 156 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1jf9 h LEU 157 N 0.00 1.02 -1.85 3.22 3.38 -1.55 -1.65 115.31 117.88 1jf9 h LEU 157 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1jf9 h LEU 157 Cb 0.49 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1jf9 h LEU 157 CO 0.00 0.64 0.21 -0.65 0.09 0.00 0.00 178.44 178.74 1jf9 h PRO 158 N 1.15 0.18 0.00 1.13 0.11 -1.83 0.35 132.00 133.09 1jf9 h PRO 158 Ca 0.44 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.48 1jf9 h PRO 158 Cb 0.20 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1jf9 h PRO 158 CO -0.18 0.12 -0.46 1.79 -0.21 0.00 0.00 178.00 179.06 1jf9 h THR 159 N 0.19 0.40 0.08 -1.15 1.35 -1.60 -3.37 112.91 108.81 1jf9 h THR 159 Ca 0.14 -1.59 -0.34 0.00 -0.55 0.00 0.00 66.41 64.06 1jf9 h THR 159 Cb 0.31 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 68.82 1jf9 h THR 159 CO -0.02 0.23 -1.92 0.18 -0.25 0.00 0.00 175.52 173.73 1jf9 n LEU 160 N -3.08 2.08 -4.73 3.87 4.77 -0.32 -4.85 117.00 114.74 1jf9 n LEU 160 Ca 0.01 0.26 -0.41 0.00 -0.03 0.00 0.00 56.01 55.85 1jf9 n LEU 160 Cb 0.65 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1jf9 n LEU 160 CO 0.38 0.71 0.59 -0.36 -1.33 0.00 0.00 177.39 177.39 1jf9 s PHE 161 N -2.57 3.77 0.00 -1.77 0.40 -0.04 -4.91 117.98 112.86 1jf9 s PHE 161 Ca -0.17 1.67 0.00 0.00 -0.60 0.00 0.00 56.93 57.83 1jf9 s PHE 161 Cb 0.07 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.63 1jf9 s PHE 161 CO 0.78 0.21 0.00 -0.40 0.70 0.00 0.00 175.22 176.51 1jf9 n ASP 162 N 2.90 0.00 0.19 1.36 5.68 -1.26 -4.84 116.55 120.58 1jf9 n ASP 162 Ca 0.01 -0.82 0.14 0.00 -0.50 0.00 0.00 54.79 53.62 1jf9 n ASP 162 Cb 0.50 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.99 1jf9 n ASP 162 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1jf9 h GLU 163 N 0.00 0.00 -0.13 0.11 9.09 -1.96 -2.65 114.58 119.05 1jf9 h GLU 163 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1jf9 h GLU 163 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1jf9 h GLU 163 CO 0.00 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.69 1jf9 n LYS 164 N -2.61 2.14 -2.25 1.06 5.02 -1.26 -4.92 118.16 115.34 1jf9 n LYS 164 Ca 0.02 -1.67 -0.43 0.00 -2.02 0.00 0.00 58.31 54.21 1jf9 n LYS 164 Cb 0.31 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 1jf9 n LYS 164 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jf9 s THR 165 N -1.86 3.89 -0.13 -0.18 2.01 -1.00 -1.57 115.64 116.80 1jf9 s THR 165 Ca 0.33 1.00 0.19 0.00 0.31 0.00 0.00 61.69 63.52 1jf9 s THR 165 Cb 0.21 -3.90 -0.24 0.00 0.01 0.00 0.00 72.50 68.58 1jf9 s THR 165 CO 0.31 -0.37 0.43 0.54 -0.69 0.00 0.00 174.62 174.84 1jf9 n ARG 166 N 7.50 0.66 -3.70 4.92 5.12 -0.02 -4.23 116.66 126.92 1jf9 n ARG 166 Ca 0.17 0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.96 1jf9 n ARG 166 Cb 0.46 -1.61 -0.09 0.00 -1.16 0.00 0.00 32.46 30.05 1jf9 n ARG 166 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1jf9 s LEU 167 N -5.31 0.21 -0.22 0.55 2.96 -1.25 -1.55 118.68 114.07 1jf9 s LEU 167 Ca -0.07 0.77 -0.04 0.00 -0.22 0.00 0.00 54.13 54.57 1jf9 s LEU 167 Cb 0.09 1.67 -0.01 0.00 0.50 0.00 0.00 46.19 48.44 1jf9 s LEU 167 CO 0.85 -0.27 -0.03 -0.22 -1.32 0.00 0.00 176.35 175.35 1jf9 s LEU 168 N -0.21 2.95 -0.23 -0.68 2.96 0.29 -1.23 118.68 122.52 1jf9 s LEU 168 Ca -0.04 -0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1jf9 s LEU 168 Cb -0.03 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.92 1jf9 s LEU 168 CO 0.02 -0.01 -0.10 0.00 -1.32 0.00 0.00 176.35 174.94 1jf9 s ALA 169 N 1.45 2.61 -0.03 5.97 0.00 -0.04 -0.80 121.76 130.94 1jf9 s ALA 169 Ca 0.05 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.57 1jf9 s ALA 169 Cb -0.14 -1.56 0.01 0.00 0.00 0.00 0.00 23.12 21.43 1jf9 s ALA 169 CO -0.02 -0.69 0.12 -1.50 0.00 0.00 0.00 175.76 173.67 1jf9 s ILE 170 N 1.31 0.04 0.24 0.00 1.10 -0.22 -4.22 121.20 119.45 1jf9 s ILE 170 Ca 0.01 -0.31 -0.30 0.00 -0.51 0.00 0.00 60.65 59.54 1jf9 s ILE 170 Cb -0.16 -0.29 -0.09 0.00 0.15 0.00 0.00 42.46 42.08 1jf9 s ILE 170 CO -0.06 -0.17 0.93 0.28 -2.11 0.00 0.00 174.94 173.81 1jf9 s THR 171 N -0.56 4.08 -0.02 4.00 -1.32 -1.26 -0.76 115.64 119.81 1jf9 s THR 171 Ca -0.06 2.08 -0.24 0.00 -1.21 0.00 0.00 61.69 62.25 1jf9 s THR 171 Cb -0.04 -4.32 -0.18 0.00 -1.51 0.00 0.00 72.50 66.45 1jf9 s THR 171 CO 0.01 0.50 1.16 -0.74 -2.21 0.00 0.00 174.62 173.34 1jf9 h HIS 172 N 4.17 -0.15 -3.39 9.09 2.76 -1.28 -3.39 115.15 122.96 1jf9 h HIS 172 Ca -0.45 -0.00 -0.40 0.00 -2.20 0.00 0.00 60.37 57.32 1jf9 h HIS 172 Cb 1.20 0.05 -0.36 0.00 1.55 0.00 0.00 27.41 29.85 1jf9 h HIS 172 CO 0.61 0.28 -0.76 0.08 -1.30 0.00 0.00 177.93 176.84 1jf9 s VAL 173 N -4.16 0.32 0.22 5.26 1.01 -1.26 -1.25 120.40 120.54 1jf9 s VAL 173 Ca -0.15 0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.60 1jf9 s VAL 173 Cb 0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 36.38 35.86 1jf9 s VAL 173 CO 0.59 0.21 1.48 -0.55 0.00 0.00 0.00 175.10 176.83 1jf9 s SER 174 N 1.42 6.63 0.07 3.32 0.15 -0.52 -4.43 113.70 120.33 1jf9 s SER 174 Ca -0.04 2.65 0.19 0.00 0.70 0.00 0.00 55.95 59.46 1jf9 s SER 174 Cb -0.13 -2.61 0.81 0.00 -1.71 0.00 0.00 66.02 62.38 1jf9 s SER 174 CO -0.03 -0.75 1.61 -0.46 1.20 0.00 0.00 173.24 174.82 1jf9 n ASN 175 N 2.90 0.18 -0.06 5.45 6.94 -1.26 -2.06 115.26 127.36 1jf9 n ASN 175 Ca 0.09 0.54 -0.14 0.00 -0.02 0.00 0.00 54.58 55.05 1jf9 n ASN 175 Cb 0.40 -0.58 -0.05 0.00 -2.36 0.00 0.00 39.78 37.19 1jf9 n ASN 175 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1jf9 n VAL 176 N -1.70 0.82 0.04 3.53 0.31 -1.26 -4.79 118.33 115.28 1jf9 n VAL 176 Ca 0.04 -0.14 -0.08 0.00 -0.01 0.00 0.00 64.34 64.15 1jf9 n VAL 176 Cb 0.23 -1.72 -0.13 0.00 -0.91 0.00 0.00 33.84 31.31 1jf9 n VAL 176 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1jf9 h LEU 177 N -0.49 0.04 0.00 7.52 3.38 -1.83 -3.32 115.31 120.61 1jf9 h LEU 177 Ca -0.31 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1jf9 h LEU 177 Cb 1.21 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1jf9 h LEU 177 CO -0.19 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.00 1jf9 n GLY 178 N 1.44 0.76 3.75 0.83 0.00 -0.87 -4.33 105.19 106.77 1jf9 n GLY 178 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1jf9 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jf9 s THR 179 N -2.99 2.44 -0.27 2.61 2.01 -1.26 -1.25 115.64 116.93 1jf9 s THR 179 Ca 0.00 0.37 -0.11 0.00 0.31 0.00 0.00 61.69 62.26 1jf9 s THR 179 Cb 0.00 -3.24 -0.05 0.00 0.01 0.00 0.00 72.50 69.23 1jf9 s THR 179 CO 0.00 0.06 0.18 -0.70 -0.69 0.00 0.00 174.62 173.47 1jf9 s GLU 180 N -0.45 3.96 0.43 4.92 2.12 -1.26 -1.44 118.70 126.99 1jf9 s GLU 180 Ca 0.61 -0.32 -0.21 0.00 0.36 0.00 0.00 54.97 55.41 1jf9 s GLU 180 Cb -0.44 -3.61 -0.10 0.00 0.26 0.00 0.00 34.13 30.23 1jf9 s GLU 180 CO 0.45 -0.13 0.97 -0.80 -0.54 0.00 0.00 175.26 175.22 1jf9 s ASN 181 N 1.59 6.84 -1.25 -1.70 0.01 -0.38 -4.94 114.94 115.11 1jf9 s ASN 181 Ca 0.07 1.76 -0.17 0.00 -0.71 0.00 0.00 52.86 53.81 1jf9 s ASN 181 Cb -0.15 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 1jf9 s ASN 181 CO 0.09 -0.43 2.11 -0.81 -1.51 0.00 0.00 177.10 176.55 1jf9 n PRO 182 N -0.61 2.46 -0.02 -0.60 -0.04 -1.26 -4.80 135.00 130.13 1jf9 n PRO 182 Ca 0.07 -2.42 -0.09 0.00 -0.04 0.00 0.00 63.50 61.01 1jf9 n PRO 182 Cb 0.53 -3.21 -0.04 0.00 -0.04 0.00 0.00 33.50 30.75 1jf9 n PRO 182 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1jf9 h LEU 183 N 11.41 -0.12 -0.68 1.53 3.38 -1.93 -2.38 115.31 126.52 1jf9 h LEU 183 Ca 0.51 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.64 1jf9 h LEU 183 Cb 0.67 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.42 1jf9 h LEU 183 CO 1.87 -0.04 0.26 0.00 0.09 0.00 0.00 178.44 180.62 1jf9 h ALA 184 N 1.15 0.91 -0.24 1.53 0.00 -1.87 0.39 119.26 121.12 1jf9 h ALA 184 Ca 0.07 0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.88 1jf9 h ALA 184 Cb 0.11 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jf9 h ALA 184 CO -0.15 -0.19 -0.62 0.93 0.00 0.00 0.00 179.25 179.22 1jf9 h GLU 185 N 0.44 0.83 -0.61 0.00 3.07 -1.90 -1.40 114.58 115.00 1jf9 h GLU 185 Ca 0.35 -0.57 -0.07 0.00 -0.50 0.00 0.00 59.36 58.58 1jf9 h GLU 185 Cb 0.48 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.44 1jf9 h GLU 185 CO -0.35 1.20 0.12 0.52 -1.40 0.00 0.00 179.01 179.10 1jf9 h MET 186 N 0.61 0.98 -0.56 2.33 2.86 -1.05 -1.81 114.93 118.29 1jf9 h MET 186 Ca -0.01 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.32 1jf9 h MET 186 Cb 1.23 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 1jf9 h MET 186 CO 0.13 0.89 0.03 0.82 1.06 0.00 0.00 176.91 179.84 1jf9 h ILE 187 N 0.93 1.26 -0.29 -1.22 2.04 -0.87 0.19 117.51 119.55 1jf9 h ILE 187 Ca 0.19 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 65.00 1jf9 h ILE 187 Cb 0.38 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 1jf9 h ILE 187 CO 0.01 0.39 0.12 0.74 0.00 0.00 0.00 178.15 179.41 1jf9 h THR 188 N 0.86 0.96 -0.14 -0.27 2.02 -0.90 -0.57 112.91 114.86 1jf9 h THR 188 Ca 0.16 -0.09 0.03 0.00 0.77 0.00 0.00 66.41 67.28 1jf9 h THR 188 Cb 0.50 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1jf9 h THR 188 CO 0.02 0.05 -0.02 0.25 0.37 0.00 0.00 175.52 176.19 1jf9 h LEU 189 N 0.27 -0.10 -0.50 2.58 5.85 -1.08 -2.29 115.31 120.05 1jf9 h LEU 189 Ca 0.13 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1jf9 h LEU 189 Cb 0.07 0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1jf9 h LEU 189 CO -0.11 -0.03 0.29 0.00 -0.34 0.00 0.00 178.44 178.26 1jf9 h ALA 190 N 1.13 0.64 0.00 1.25 0.00 -0.64 -2.55 119.26 119.09 1jf9 h ALA 190 Ca 0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1jf9 h ALA 190 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1jf9 h ALA 190 CO -0.13 -0.01 -0.18 0.45 0.00 0.00 0.00 179.25 179.38 1jf9 h HIS 191 N 0.58 0.00 0.00 0.00 3.86 -0.87 -1.28 115.15 117.44 1jf9 h HIS 191 Ca 0.20 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.38 1jf9 h HIS 191 Cb 0.03 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1jf9 h HIS 191 CO -0.07 0.18 -0.17 1.96 0.86 0.00 0.00 177.93 180.69 1jf9 h GLN 192 N 0.00 0.00 -0.11 2.45 4.20 -0.98 0.96 115.11 121.63 1jf9 h GLN 192 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jf9 h GLN 192 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 1jf9 h GLN 192 CO 0.02 0.17 0.00 0.72 -0.67 0.00 0.00 178.83 179.07 1jf9 n HIS 193 N -4.29 0.13 -1.00 2.96 8.25 -0.78 -4.92 115.22 115.57 1jf9 n HIS 193 Ca -0.02 -0.07 -0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1jf9 n HIS 193 Cb 0.23 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.34 1jf9 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1jf9 n GLY 194 N 1.16 0.47 3.84 -1.41 0.00 0.33 -4.90 105.19 104.68 1jf9 n GLY 194 Ca 0.17 -0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 1jf9 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jf9 s ALA 195 N -1.96 3.48 0.48 4.61 0.00 -0.55 -4.93 121.76 122.88 1jf9 s ALA 195 Ca 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1jf9 s ALA 195 Cb 0.00 -2.66 -0.03 0.00 0.00 0.00 0.00 23.12 20.43 1jf9 s ALA 195 CO 0.00 0.40 0.77 0.15 0.00 0.00 0.00 175.76 177.08 1jf9 s LYS 196 N -2.23 3.48 -0.10 0.00 -0.14 -0.59 -3.75 119.74 116.41 1jf9 s LYS 196 Ca 0.43 0.13 0.01 0.00 -1.36 0.00 0.00 55.97 55.18 1jf9 s LYS 196 Cb -0.14 -2.40 0.02 0.00 -1.68 0.00 0.00 37.83 33.63 1jf9 s LYS 196 CO 0.20 -0.21 -0.11 0.08 -0.76 0.00 0.00 175.35 174.55 1jf9 s VAL 197 N -2.72 1.17 -0.19 3.17 1.01 -1.26 -0.55 120.40 121.03 1jf9 s VAL 197 Ca 0.47 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 1jf9 s VAL 197 Cb -0.10 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 1jf9 s VAL 197 CO 0.44 0.38 0.05 -0.22 0.00 0.00 0.00 175.10 175.75 1jf9 s LEU 198 N 1.25 3.71 -0.17 3.92 0.20 0.02 -1.30 118.68 126.32 1jf9 s LEU 198 Ca -0.03 0.02 -0.04 0.00 0.69 0.00 0.00 54.13 54.78 1jf9 s LEU 198 Cb -0.14 -1.94 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 1jf9 s LEU 198 CO -0.04 0.15 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.45 1jf9 s VAL 199 N 0.52 3.88 -0.64 1.68 1.01 -0.31 -1.06 120.40 125.49 1jf9 s VAL 199 Ca 0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 1jf9 s VAL 199 Cb -0.13 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.60 1jf9 s VAL 199 CO 0.01 0.48 0.96 -0.62 0.00 0.00 0.00 175.10 175.93 1jf9 s ASP 200 N 0.51 6.20 -0.28 3.32 -1.08 0.06 -1.63 116.67 123.77 1jf9 s ASP 200 Ca -0.03 -0.88 0.12 0.00 -0.52 0.00 0.00 52.55 51.25 1jf9 s ASP 200 Cb -0.14 -2.42 0.74 0.00 -1.46 0.00 0.00 42.92 39.64 1jf9 s ASP 200 CO 0.03 -1.41 1.74 0.61 0.52 0.00 0.00 175.17 176.66 1jf9 n GLY 201 N 5.29 3.55 0.33 2.66 0.00 0.28 -0.71 105.19 116.58 1jf9 n GLY 201 Ca -0.03 -0.99 0.14 0.00 0.00 0.00 0.00 46.02 45.14 1jf9 n GLY 201 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jf9 h ALA 202 N 2.94 2.25 -0.44 4.61 0.00 -1.90 -1.76 119.26 124.96 1jf9 h ALA 202 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jf9 h ALA 202 Cb 2.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1jf9 h ALA 202 CO 0.59 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 180.54 1jf9 n GLN 203 N -4.45 2.96 -0.12 0.00 1.13 -1.26 -4.59 117.38 111.04 1jf9 n GLN 203 Ca 0.04 -2.36 -0.20 0.00 -1.94 0.00 0.00 57.00 52.54 1jf9 n GLN 203 Cb 0.36 -1.47 -0.10 0.00 0.11 0.00 0.00 30.24 29.14 1jf9 n GLN 203 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jf9 n ALA 204 N 0.66 1.45 0.30 -1.58 0.00 -0.67 -4.69 120.51 115.97 1jf9 n ALA 204 Ca 0.17 -1.02 0.18 0.00 0.00 0.00 0.00 53.44 52.77 1jf9 n ALA 204 Cb 0.58 0.01 0.95 0.00 0.00 0.00 0.00 19.45 20.99 1jf9 n ALA 204 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1jf9 h VAL 205 N -0.26 0.20 -0.00 0.00 -1.51 -1.78 -1.09 116.25 111.80 1jf9 h VAL 205 Ca -0.57 -0.24 0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1jf9 h VAL 205 Cb 1.75 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.11 1jf9 h VAL 205 CO -0.17 0.03 -0.47 1.15 -1.23 0.00 0.00 177.57 176.88 1jf9 n MET 206 N -3.31 0.08 -0.06 5.19 0.00 -1.26 -4.49 117.12 113.27 1jf9 n MET 206 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 57.70 57.60 1jf9 n MET 206 Cb 0.16 -1.50 -0.14 0.00 0.00 0.00 0.00 33.22 31.75 1jf9 n MET 206 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 175.97 176.69 1jf9 n HIS 207 N -1.42 0.00 -3.69 3.17 8.25 -0.42 -4.90 115.22 116.20 1jf9 n HIS 207 Ca 0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.44 1jf9 n HIS 207 Cb 0.34 -0.73 -0.02 0.00 1.12 0.00 0.00 29.99 30.70 1jf9 n HIS 207 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1jf9 s HIS 208 N -2.65 -0.29 0.53 4.41 -3.43 -1.20 -3.80 115.29 108.86 1jf9 s HIS 208 Ca -0.08 -0.05 -0.22 0.00 -0.80 0.00 0.00 55.06 53.91 1jf9 s HIS 208 Cb 0.07 0.64 -0.06 0.00 -1.43 0.00 0.00 32.58 31.81 1jf9 s HIS 208 CO 0.72 -1.02 1.26 -2.30 -2.00 0.00 0.00 174.74 171.40 1jf9 n PRO 209 N -0.42 1.57 -4.96 -0.38 -0.02 -1.26 -4.65 135.00 124.87 1jf9 n PRO 209 Ca -0.08 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.70 1jf9 n PRO 209 Cb 0.61 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.48 1jf9 n PRO 209 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1jf9 s VAL 210 N -1.31 1.62 -0.29 -1.45 1.01 -1.26 -5.05 120.40 113.67 1jf9 s VAL 210 Ca 0.70 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1jf9 s VAL 210 Cb -0.44 -1.39 0.09 0.00 0.00 0.00 0.00 36.38 34.64 1jf9 s VAL 210 CO 0.50 0.46 0.07 -0.62 0.00 0.00 0.00 175.10 175.51 1jf9 s ASP 211 N 0.06 3.91 0.46 3.32 -1.08 -1.26 -4.15 116.67 117.94 1jf9 s ASP 211 Ca -0.06 -1.51 0.26 0.00 -0.52 0.00 0.00 52.55 50.73 1jf9 s ASP 211 Cb -0.13 -0.92 0.87 0.00 -1.46 0.00 0.00 42.92 41.27 1jf9 s ASP 211 CO 0.03 -0.38 1.80 -0.37 0.52 0.00 0.00 175.17 176.77 1jf9 h VAL 212 N 6.52 0.26 -0.07 1.11 -1.51 -1.32 -1.12 116.25 120.14 1jf9 h VAL 212 Ca -0.14 -0.98 -0.24 0.00 -1.23 0.00 0.00 66.70 64.11 1jf9 h VAL 212 Cb 1.04 1.79 0.02 0.00 -2.13 0.00 0.00 31.29 32.00 1jf9 h VAL 212 CO 0.45 0.12 -0.89 1.56 -1.23 0.00 0.00 177.57 177.58 1jf9 h GLN 213 N 0.00 0.72 -0.26 5.19 4.20 -1.80 0.97 115.11 124.13 1jf9 h GLN 213 Ca -0.00 -0.68 -0.12 0.00 0.06 0.00 0.00 58.65 57.91 1jf9 h GLN 213 Cb 0.78 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1jf9 h GLN 213 CO 0.02 1.28 -0.33 0.00 -0.67 0.00 0.00 178.83 179.12 1jf9 h ALA 214 N 0.46 0.94 -0.18 3.87 0.00 -1.86 -3.01 119.26 119.47 1jf9 h ALA 214 Ca -0.09 -0.40 -0.18 0.00 0.00 0.00 0.00 54.91 54.24 1jf9 h ALA 214 Cb 1.53 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1jf9 h ALA 214 CO 0.18 0.61 -0.61 -0.07 0.00 0.00 0.00 179.25 179.36 1jf9 h LEU 215 N 0.47 0.69 0.83 0.00 3.38 -1.17 -3.47 115.31 116.04 1jf9 h LEU 215 Ca 0.05 -0.39 -0.21 0.00 0.09 0.00 0.00 57.88 57.42 1jf9 h LEU 215 Cb 0.80 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 1jf9 h LEU 215 CO 0.07 1.14 -0.22 -0.67 0.09 0.00 0.00 178.44 178.84 1jf9 n ASP 216 N -3.94 -3.99 -4.76 -0.43 2.03 0.33 -4.65 116.55 101.14 1jf9 n ASP 216 Ca -0.04 0.17 -0.35 0.00 0.52 0.00 0.00 54.79 55.09 1jf9 n ASP 216 Cb 0.65 -2.69 0.03 0.00 -0.72 0.00 0.00 41.12 38.38 1jf9 n ASP 216 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jf9 h ASP 218 N 0.69 0.26 -3.95 0.00 5.19 -1.57 -3.44 116.42 113.60 1jf9 h ASP 218 Ca -0.49 -0.37 -0.30 0.00 -0.62 0.00 0.00 57.03 55.25 1jf9 h ASP 218 Cb 1.27 -0.08 -0.28 0.00 0.18 0.00 0.00 39.33 40.42 1jf9 h ASP 218 CO 0.55 1.31 -0.74 -0.36 -3.12 0.00 0.00 179.24 176.88 1jf9 s PHE 219 N -2.63 0.37 -0.01 4.55 0.08 -0.60 -1.88 117.98 117.87 1jf9 s PHE 219 Ca -0.07 -0.11 -0.00 0.00 0.12 0.00 0.00 56.93 56.87 1jf9 s PHE 219 Cb 0.08 -0.24 0.02 0.00 -0.57 0.00 0.00 43.02 42.30 1jf9 s PHE 219 CO 0.84 -0.02 0.02 -0.47 -0.10 0.00 0.00 175.22 175.49 1jf9 s TYR 220 N -0.21 0.02 0.07 0.36 6.14 -0.33 -1.16 117.35 122.23 1jf9 s TYR 220 Ca 0.00 0.07 0.05 0.00 0.64 0.00 0.00 57.07 57.84 1jf9 s TYR 220 Cb -0.02 -0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.20 1jf9 s TYR 220 CO -0.00 -0.05 -0.14 0.14 0.64 0.00 0.00 175.55 176.14 1jf9 s VAL 221 N 0.58 1.14 0.20 3.14 -7.23 -0.65 -0.85 120.40 116.73 1jf9 s VAL 221 Ca -0.05 -1.27 -0.22 0.00 -1.81 0.00 0.00 61.98 58.63 1jf9 s VAL 221 Cb -0.07 -1.08 0.05 0.00 0.56 0.00 0.00 36.38 35.84 1jf9 s VAL 221 CO -0.02 -0.18 0.63 0.72 -0.31 0.00 0.00 175.10 175.94 1jf9 s PHE 222 N -1.20 -0.42 0.01 2.82 -0.71 -0.90 -0.56 117.98 117.03 1jf9 s PHE 222 Ca -0.01 0.13 0.06 0.00 -1.04 0.00 0.00 56.93 56.06 1jf9 s PHE 222 Cb -0.10 0.60 -0.03 0.00 -1.21 0.00 0.00 43.02 42.28 1jf9 s PHE 222 CO 0.02 -0.97 -0.16 -1.12 -1.34 0.00 0.00 175.22 171.66 1jf9 s SER 223 N -2.81 3.97 0.23 1.98 0.01 -1.26 -1.50 113.70 114.32 1jf9 s SER 223 Ca 0.04 -0.33 -0.03 0.00 1.31 0.00 0.00 55.95 56.94 1jf9 s SER 223 Cb -0.02 -0.73 0.25 0.00 0.21 0.00 0.00 66.02 65.72 1jf9 s SER 223 CO -0.07 0.28 1.70 1.23 0.41 0.00 0.00 173.24 176.79 1jf9 h GLY 224 N 4.72 0.87 2.00 3.44 0.00 -1.07 -3.20 103.07 109.84 1jf9 h GLY 224 Ca -0.47 -0.65 -0.01 0.00 0.00 0.00 0.00 47.33 46.19 1jf9 h GLY 224 CO 0.49 0.60 -0.06 1.12 0.00 0.00 0.00 176.54 178.69 1jf9 h HIS 225 N 0.73 0.00 0.00 5.60 2.07 -1.63 0.21 115.15 122.13 1jf9 h HIS 225 Ca 0.13 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.65 1jf9 h HIS 225 Cb 0.58 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.56 1jf9 h HIS 225 CO 0.03 0.06 -0.47 0.87 -3.07 0.00 0.00 177.93 175.35 1jf9 h LYS 226 N 0.00 0.00 -1.06 5.12 1.57 -1.83 -1.47 116.57 118.89 1jf9 h LYS 226 Ca -0.00 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.10 1jf9 h LYS 226 Cb 0.42 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 32.44 1jf9 h LYS 226 CO 0.01 0.00 0.79 -0.11 -0.57 0.00 0.00 179.45 179.56 1jf9 n LEU 227 N -2.21 7.53 -1.27 2.94 7.94 0.65 -4.54 117.00 128.03 1jf9 n LEU 227 Ca 0.04 -4.36 -0.17 0.00 -1.11 0.00 0.00 56.01 50.41 1jf9 n LEU 227 Cb 0.45 -0.95 -0.07 0.00 0.53 0.00 0.00 43.42 43.38 1jf9 n LEU 227 CO 0.35 1.53 -0.16 -1.22 -1.11 0.00 0.00 177.39 176.78 1jf9 n TYR 228 N -0.88 0.00 -4.38 1.96 4.01 -1.22 -4.77 117.16 111.87 1jf9 n TYR 228 Ca 0.61 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 58.11 1jf9 n TYR 228 Cb 0.65 -2.95 -0.04 0.00 -0.31 0.00 0.00 39.34 36.68 1jf9 n TYR 228 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jf9 n GLY 229 N -0.69 3.47 3.68 2.72 0.00 -0.75 -4.27 105.19 109.34 1jf9 n GLY 229 Ca -0.17 -2.32 -0.30 0.00 0.00 0.00 0.00 46.02 43.24 1jf9 n GLY 229 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jf9 s PRO 230 N -3.51 0.96 0.81 1.61 0.04 -1.26 -3.93 135.00 129.73 1jf9 s PRO 230 Ca 0.06 1.04 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 1jf9 s PRO 230 Cb -0.01 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.86 1jf9 s PRO 230 CO 0.04 -2.51 1.17 0.95 0.04 0.00 0.00 177.00 176.70 1jf9 s THR 231 N -2.78 2.09 -0.44 1.26 -4.23 -1.26 -2.70 115.64 107.57 1jf9 s THR 231 Ca 0.65 0.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.19 1jf9 s THR 231 Cb -0.20 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.63 1jf9 s THR 231 CO 0.58 -0.04 0.00 0.61 -0.54 0.00 0.00 174.62 175.24 1jf9 n GLY 232 N -3.22 0.70 3.17 3.99 0.00 -1.26 -4.83 105.19 103.73 1jf9 n GLY 232 Ca 0.08 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 1jf9 n GLY 232 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1jf9 s ILE 233 N -2.10 -0.01 0.37 -0.61 1.10 -0.28 -4.53 121.20 115.14 1jf9 s ILE 233 Ca 0.00 0.03 -0.08 0.00 -0.51 0.00 0.00 60.65 60.09 1jf9 s ILE 233 Cb 0.00 -0.43 0.03 0.00 0.15 0.00 0.00 42.46 42.21 1jf9 s ILE 233 CO 0.00 0.01 0.62 -0.83 -2.11 0.00 0.00 174.94 172.63 1jf9 s GLY 234 N 0.45 1.02 -0.03 1.50 0.00 0.90 -0.55 107.32 110.61 1jf9 s GLY 234 Ca -0.02 -1.20 0.04 0.00 0.00 0.00 0.00 44.72 43.54 1jf9 s GLY 234 CO -0.02 -0.70 -0.16 -0.42 0.00 0.00 0.00 173.10 171.79 1jf9 s ILE 235 N -2.67 1.35 -0.19 0.90 -1.09 -0.56 -1.69 121.20 117.25 1jf9 s ILE 235 Ca 0.24 -0.69 -0.01 0.00 -2.23 0.00 0.00 60.65 57.97 1jf9 s ILE 235 Cb -0.03 -1.15 0.01 0.00 -1.58 0.00 0.00 42.46 39.71 1jf9 s ILE 235 CO 0.17 0.39 -0.14 -0.22 -1.23 0.00 0.00 174.94 173.91 1jf9 s LEU 236 N -0.05 2.44 -0.16 2.97 2.96 -0.22 -2.11 118.68 124.51 1jf9 s LEU 236 Ca -0.01 -0.53 -0.07 0.00 -0.22 0.00 0.00 54.13 53.29 1jf9 s LEU 236 Cb -0.10 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 1jf9 s LEU 236 CO 0.01 0.01 0.09 -0.47 -1.32 0.00 0.00 176.35 174.67 1jf9 s TYR 237 N 1.28 3.36 -0.03 5.38 5.04 -0.03 -0.65 117.35 131.70 1jf9 s TYR 237 Ca 0.04 0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1jf9 s TYR 237 Cb -0.14 -2.04 0.03 0.00 0.35 0.00 0.00 41.96 40.16 1jf9 s TYR 237 CO -0.08 0.34 0.01 0.08 -1.34 0.00 0.00 175.55 174.56 1jf9 s VAL 238 N -0.04 0.13 0.18 3.14 1.01 0.03 -1.19 120.40 123.66 1jf9 s VAL 238 Ca 0.08 0.12 -0.32 0.00 0.00 0.00 0.00 61.98 61.86 1jf9 s VAL 238 Cb -0.12 -0.24 -0.16 0.00 0.00 0.00 0.00 36.38 35.86 1jf9 s VAL 238 CO 0.01 0.14 0.98 0.29 0.00 0.00 0.00 175.10 176.52 1jf9 n LYS 239 N 4.20 0.83 -0.31 2.72 5.02 -0.79 -4.63 118.16 125.20 1jf9 n LYS 239 Ca -0.26 0.29 0.10 0.00 -2.02 0.00 0.00 58.31 56.43 1jf9 n LYS 239 Cb 0.50 -1.66 0.27 0.00 -0.02 0.00 0.00 35.03 34.12 1jf9 n LYS 239 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1jf9 h GLU 240 N 2.54 0.57 -0.25 1.97 4.81 -1.93 -1.14 114.58 121.15 1jf9 h GLU 240 Ca -0.40 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 58.71 1jf9 h GLU 240 Cb 1.37 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.61 1jf9 h GLU 240 CO 0.65 0.38 -0.24 0.00 -0.73 0.00 0.00 179.01 179.07 1jf9 h ALA 241 N 1.62 1.14 0.05 2.92 0.00 -2.00 -0.73 119.26 122.26 1jf9 h ALA 241 Ca 0.52 -0.33 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1jf9 h ALA 241 Cb 0.83 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 18.51 1jf9 h ALA 241 CO -0.41 0.54 -0.73 -0.07 0.00 0.00 0.00 179.25 178.58 1jf9 h LEU 242 N 0.41 0.55 -0.95 0.00 3.38 -1.69 -3.32 115.31 113.69 1jf9 h LEU 242 Ca 0.06 -0.82 -0.05 0.00 0.09 0.00 0.00 57.88 57.17 1jf9 h LEU 242 Cb 0.64 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1jf9 h LEU 242 CO 0.05 1.31 0.21 0.25 0.09 0.00 0.00 178.44 180.35 1jf9 h LEU 243 N -0.13 0.90 -2.38 1.67 5.85 -0.98 -2.16 115.31 118.08 1jf9 h LEU 243 Ca -0.10 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1jf9 h LEU 243 Cb 1.47 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 1jf9 h LEU 243 CO 0.14 0.84 -0.03 1.56 -0.34 0.00 0.00 178.44 180.61 1jf9 h GLN 244 N 0.95 0.00 0.00 1.25 4.20 -1.27 -1.66 115.11 118.58 1jf9 h GLN 244 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1jf9 h GLN 244 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1jf9 h GLN 244 CO -0.01 0.03 -0.74 0.39 -0.67 0.00 0.00 178.83 177.83 1jf9 n GLU 245 N -3.66 0.00 -2.47 1.46 -0.58 -0.84 -4.93 120.64 109.63 1jf9 n GLU 245 Ca -0.03 -0.00 -0.41 0.00 -0.42 0.00 0.00 57.16 56.30 1jf9 n GLU 245 Cb 0.13 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.46 1jf9 n GLU 245 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1jf9 s MET 246 N -3.00 4.54 0.71 3.49 -1.94 -0.63 -5.03 119.30 117.43 1jf9 s MET 246 Ca 0.10 1.76 -0.11 0.00 -1.71 0.00 0.00 55.69 55.72 1jf9 s MET 246 Cb 0.17 -3.29 0.01 0.00 2.01 0.00 0.00 34.83 33.74 1jf9 s MET 246 CO 0.78 -0.03 1.08 -1.25 -0.01 0.00 0.00 175.02 175.59 1jf9 s PRO 247 N -0.03 2.85 0.70 2.03 0.04 -1.26 -5.02 135.00 134.31 1jf9 s PRO 247 Ca 0.52 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 62.04 1jf9 s PRO 247 Cb -0.30 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.26 1jf9 s PRO 247 CO 0.34 -1.08 1.16 -1.25 0.04 0.00 0.00 177.00 176.22 1jf9 s PRO 248 N -5.23 2.39 0.00 0.56 0.04 -1.26 -4.78 135.00 126.72 1jf9 s PRO 248 Ca 0.58 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.22 1jf9 s PRO 248 Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.54 1jf9 s PRO 248 CO 0.53 -1.61 0.00 1.87 0.04 0.00 0.00 177.00 177.83 1jf9 n TRP 249 N -2.62 0.00 -2.58 0.56 -0.00 -1.26 -4.85 117.44 106.68 1jf9 n TRP 249 Ca 0.12 0.00 -0.37 0.00 -0.00 0.00 0.00 57.50 57.25 1jf9 n TRP 249 Cb 0.51 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.77 1jf9 n TRP 249 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1jf9 s GLU 250 N -0.11 4.34 0.19 5.87 2.02 -1.26 -5.05 118.70 124.70 1jf9 s GLU 250 Ca 0.00 1.52 0.09 0.00 0.02 0.00 0.00 54.97 56.60 1jf9 s GLU 250 Cb 0.00 -2.71 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 1jf9 s GLU 250 CO 0.00 0.01 -0.07 0.20 0.02 0.00 0.00 175.26 175.43 1jf9 s GLY 251 N -1.45 1.72 0.00 -1.39 0.00 -1.26 -4.65 107.32 100.29 1jf9 s GLY 251 Ca 0.54 -1.48 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1jf9 s GLY 251 CO 0.29 -1.51 0.00 0.61 0.00 0.00 0.00 173.10 172.49 1jf9 n GLY 252 N -0.13 -0.18 3.76 0.20 0.00 -1.26 -4.89 105.19 102.69 1jf9 n GLY 252 Ca -0.10 -1.15 -0.34 0.00 0.00 0.00 0.00 46.02 44.43 1jf9 n GLY 252 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jf9 s GLY 253 N 0.00 2.39 0.00 -0.02 0.00 -1.26 -3.73 107.32 104.70 1jf9 s GLY 253 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1jf9 s GLY 253 CO 0.00 1.13 0.00 -1.26 0.00 0.00 0.00 173.10 172.97 1jf9 n SER 254 N -2.12 0.00 -0.34 1.64 2.88 -1.26 -1.39 113.62 113.03 1jf9 n SER 254 Ca 0.12 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.78 1jf9 n SER 254 Cb 0.51 -0.06 0.25 0.00 -0.75 0.00 0.00 64.21 64.16 1jf9 n SER 254 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1jf9 n MET 255 N -1.20 0.98 -3.80 -1.46 3.85 -1.24 -4.74 117.12 109.50 1jf9 n MET 255 Ca 0.00 -0.68 -0.22 0.00 -1.00 0.00 0.00 57.70 55.81 1jf9 n MET 255 Cb 0.00 -1.49 -0.02 0.00 -1.05 0.00 0.00 33.22 30.67 1jf9 n MET 255 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 175.97 176.93 1jf9 s ILE 256 N -2.49 5.22 -0.23 3.17 -5.25 -1.26 -1.51 121.20 118.85 1jf9 s ILE 256 Ca 0.22 -0.84 -0.11 0.00 -0.99 0.00 0.00 60.65 58.93 1jf9 s ILE 256 Cb 0.19 -3.86 -0.10 0.00 2.95 0.00 0.00 42.46 41.64 1jf9 s ILE 256 CO 0.54 -0.39 -0.29 0.00 -1.79 0.00 0.00 174.94 173.00 1jf9 n ALA 257 N -1.51 1.51 -2.98 2.27 0.00 0.62 -4.24 120.51 116.18 1jf9 n ALA 257 Ca -0.08 -0.92 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 1jf9 n ALA 257 Cb 0.57 0.20 -0.11 0.00 0.00 0.00 0.00 19.45 20.10 1jf9 n ALA 257 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jf9 s THR 258 N -2.42 0.08 -0.11 0.00 -4.23 -1.16 -4.98 115.64 102.82 1jf9 s THR 258 Ca -0.32 -0.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.57 1jf9 s THR 258 Cb 0.12 -0.24 0.01 0.00 1.34 0.00 0.00 72.50 73.74 1jf9 s THR 258 CO 0.41 -0.35 -0.18 -0.69 -0.54 0.00 0.00 174.62 173.27 1jf9 s VAL 259 N -1.06 1.65 0.00 2.29 1.01 -1.26 -1.18 120.40 121.84 1jf9 s VAL 259 Ca -0.12 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1jf9 s VAL 259 Cb -0.07 -1.47 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 1jf9 s VAL 259 CO -0.00 0.47 -0.04 -0.55 0.00 0.00 0.00 175.10 174.98 1jf9 s SER 260 N 0.79 0.41 0.00 3.32 0.15 -0.83 -4.98 113.70 112.57 1jf9 s SER 260 Ca -0.10 -0.12 0.28 0.00 0.70 0.00 0.00 55.95 56.71 1jf9 s SER 260 Cb -0.16 -0.03 1.02 0.00 -1.71 0.00 0.00 66.02 65.15 1jf9 s SER 260 CO 0.01 0.01 1.73 0.18 1.20 0.00 0.00 173.24 176.37 1jf9 n LEU 261 N 2.82 0.92 0.00 3.45 4.77 -1.26 -2.43 117.00 125.26 1jf9 n LEU 261 Ca -0.14 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 1jf9 n LEU 261 Cb 0.58 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1jf9 n LEU 261 CO 0.25 0.16 -0.45 -1.54 -1.33 0.00 0.00 177.39 174.48 1jf9 n SER 262 N -0.57 4.51 -0.95 -1.43 3.41 -1.26 -4.75 113.62 112.58 1jf9 n SER 262 Ca 0.15 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.84 1jf9 n SER 262 Cb 0.32 0.45 0.22 0.00 -0.26 0.00 0.00 64.21 64.93 1jf9 n SER 262 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jf9 n GLU 263 N -1.86 2.70 -0.03 4.33 -0.58 -1.26 -5.10 120.64 118.85 1jf9 n GLU 263 Ca 0.00 -2.28 0.00 0.00 -0.42 0.00 0.00 57.16 54.47 1jf9 n GLU 263 Cb 0.45 -1.40 -0.00 0.00 -0.57 0.00 0.00 31.44 29.92 1jf9 n GLU 263 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1jf9 n GLY 264 N 1.04 -1.50 3.46 0.62 0.00 -1.02 -4.87 105.19 102.91 1jf9 n GLY 264 Ca 0.17 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.37 1jf9 n GLY 264 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jf9 s THR 265 N -1.35 2.77 0.19 2.61 2.01 -1.26 -1.96 115.64 118.65 1jf9 s THR 265 Ca 0.00 -1.24 0.11 0.00 0.31 0.00 0.00 61.69 60.87 1jf9 s THR 265 Cb 0.00 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.29 1jf9 s THR 265 CO 0.00 0.31 -0.23 0.42 -0.69 0.00 0.00 174.62 174.43 1jf9 s THR 266 N -0.95 2.43 0.16 -0.82 -4.23 -0.32 -4.99 115.64 106.92 1jf9 s THR 266 Ca 0.15 -2.01 0.04 0.00 -1.18 0.00 0.00 61.69 58.68 1jf9 s THR 266 Cb -0.10 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1jf9 s THR 266 CO 0.06 -0.13 0.22 0.26 -0.54 0.00 0.00 174.62 174.49 1jf9 s TRP 267 N -1.70 3.34 0.82 3.99 0.23 -1.26 -0.27 118.94 124.08 1jf9 s TRP 267 Ca 0.21 0.05 -0.11 0.00 -2.03 0.00 0.00 56.10 54.23 1jf9 s TRP 267 Cb -0.08 -1.60 0.18 0.00 0.03 0.00 0.00 33.47 32.01 1jf9 s TRP 267 CO 0.10 0.52 1.12 -2.37 0.96 0.00 0.00 176.95 177.28 1jf9 n THR 268 N -0.49 0.00 -1.98 2.01 5.66 -0.57 -4.20 114.28 114.71 1jf9 n THR 268 Ca -0.08 -1.03 -0.29 0.00 -3.05 0.00 0.00 64.05 59.60 1jf9 n THR 268 Cb 0.54 -1.39 0.05 0.00 -1.55 0.00 0.00 70.33 67.99 1jf9 n THR 268 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1jf9 s LYS 269 N -5.40 2.72 1.13 1.09 -2.85 -1.26 -4.39 119.74 110.78 1jf9 s LYS 269 Ca 0.66 0.31 -0.13 0.00 -1.00 0.00 0.00 55.97 55.81 1jf9 s LYS 269 Cb -0.02 -2.06 0.26 0.00 -2.06 0.00 0.00 37.83 33.95 1jf9 s LYS 269 CO 0.45 -1.07 0.98 0.00 0.10 0.00 0.00 175.35 175.81 1jf9 n ALA 270 N -2.98 -2.65 0.16 0.59 0.00 -1.26 -1.44 120.51 112.93 1jf9 n ALA 270 Ca 0.07 -1.09 0.07 0.00 0.00 0.00 0.00 53.44 52.49 1jf9 n ALA 270 Cb 0.58 -2.00 0.37 0.00 0.00 0.00 0.00 19.45 18.40 1jf9 n ALA 270 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1jf9 n PRO 271 N -4.68 0.09 0.23 0.00 -0.04 -1.23 -4.84 135.00 124.54 1jf9 n PRO 271 Ca 0.04 0.57 0.09 0.00 -0.04 0.00 0.00 63.50 64.16 1jf9 n PRO 271 Cb 0.54 -2.06 0.58 0.00 -0.04 0.00 0.00 33.50 32.52 1jf9 n PRO 271 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 1jf9 h TRP 272 N 0.00 0.00 -0.00 0.54 6.55 -1.75 -1.78 115.95 119.51 1jf9 h TRP 272 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1jf9 h TRP 272 Cb 0.51 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.81 1jf9 h TRP 272 CO 0.00 0.20 0.01 -0.09 -1.05 0.00 0.00 178.44 177.51 1jf9 h ARG 273 N 0.00 0.00 -0.53 0.49 2.43 -1.45 -2.57 114.38 112.75 1jf9 h ARG 273 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1jf9 h ARG 273 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1jf9 h ARG 273 CO 0.03 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.68 1jf9 n PHE 274 N -3.21 0.70 -3.91 2.20 3.01 -0.67 -4.59 117.46 110.99 1jf9 n PHE 274 Ca -0.03 -0.35 -0.30 0.00 1.01 0.00 0.00 57.45 57.78 1jf9 n PHE 274 Cb 0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.40 1jf9 n PHE 274 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1jf9 s GLU 275 N -1.30 1.38 -0.15 -1.08 2.02 -0.97 -4.83 118.70 113.77 1jf9 s GLU 275 Ca 0.43 -1.85 -0.11 0.00 0.02 0.00 0.00 54.97 53.47 1jf9 s GLU 275 Cb 0.24 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 1jf9 s GLU 275 CO 0.33 -1.00 0.22 0.00 0.02 0.00 0.00 175.26 174.82 1jf9 s ALA 276 N 0.79 3.71 0.03 5.21 0.00 -1.26 -4.02 121.76 126.21 1jf9 s ALA 276 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1jf9 s ALA 276 Cb -0.20 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.70 1jf9 s ALA 276 CO -0.09 0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.36 1jf9 n GLY 277 N 2.90 -2.20 3.68 0.00 0.00 -0.49 -4.82 105.19 104.27 1jf9 n GLY 277 Ca -0.15 -1.48 -0.45 0.00 0.00 0.00 0.00 46.02 43.94 1jf9 n GLY 277 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1jf9 n THR 278 N -1.23 0.21 -1.49 2.61 -1.04 -1.26 -4.94 114.28 107.14 1jf9 n THR 278 Ca 0.00 -0.04 -0.29 0.00 -2.04 0.00 0.00 64.05 61.68 1jf9 n THR 278 Cb 0.07 -1.82 0.17 0.00 -1.82 0.00 0.00 70.33 66.92 1jf9 n THR 278 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1jf9 s PRO 279 N 2.02 0.55 -1.27 -2.82 0.04 -1.26 -4.91 135.00 127.35 1jf9 s PRO 279 Ca 0.82 0.11 -0.14 0.00 0.04 0.00 0.00 61.00 61.83 1jf9 s PRO 279 Cb -0.60 -1.79 0.14 0.00 0.04 0.00 0.00 34.50 32.29 1jf9 s PRO 279 CO 0.39 -2.56 1.68 -1.71 0.04 0.00 0.00 177.00 174.84 1jf9 n ASN 280 N -3.99 5.00 -0.14 6.66 5.15 -1.26 -4.80 115.26 121.88 1jf9 n ASN 280 Ca 0.09 -2.98 -0.05 0.00 -0.60 0.00 0.00 54.58 51.04 1jf9 n ASN 280 Cb 0.59 -1.60 0.04 0.00 -0.53 0.00 0.00 39.78 38.28 1jf9 n ASN 280 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1jf9 h THR 281 N 4.56 0.94 -0.45 -0.44 2.02 -1.98 -0.53 112.91 117.03 1jf9 h THR 281 Ca 0.39 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.43 1jf9 h THR 281 Cb 0.79 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 1jf9 h THR 281 CO 1.44 0.08 0.30 1.23 0.37 0.00 0.00 175.52 178.93 1jf9 h GLY 282 N 0.41 0.63 1.21 2.16 0.00 -1.96 -0.68 103.07 104.85 1jf9 h GLY 282 Ca 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.26 1jf9 h GLY 282 CO -0.15 0.23 0.33 -1.33 0.00 0.00 0.00 176.54 175.62 1jf9 h GLY 283 N 0.61 1.09 0.98 4.60 0.00 -1.76 -1.78 103.07 106.81 1jf9 h GLY 283 Ca 0.16 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1jf9 h GLY 283 CO -0.04 0.51 0.07 -2.22 0.00 0.00 0.00 176.54 174.86 1jf9 h ILE 284 N 1.01 1.25 -0.37 2.60 2.04 -0.38 0.13 117.51 123.79 1jf9 h ILE 284 Ca 0.25 -0.93 0.00 0.00 1.00 0.00 0.00 64.86 65.17 1jf9 h ILE 284 Cb 0.12 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.09 1jf9 h ILE 284 CO -0.03 0.33 0.24 0.40 0.00 0.00 0.00 178.15 179.09 1jf9 h ILE 285 N 0.68 1.10 -0.72 -0.67 1.08 -0.92 -1.20 117.51 116.87 1jf9 h ILE 285 Ca 0.15 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1jf9 h ILE 285 Cb 0.40 0.58 -0.04 0.00 -3.07 0.00 0.00 36.82 34.70 1jf9 h ILE 285 CO 0.01 0.10 0.47 1.23 -0.69 0.00 0.00 178.15 179.27 1jf9 h GLY 286 N 0.49 1.01 1.01 5.37 0.00 -1.13 -1.96 103.07 107.87 1jf9 h GLY 286 Ca 0.13 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 1jf9 h GLY 286 CO -0.03 0.35 0.37 -2.00 0.00 0.00 0.00 176.54 175.23 1jf9 h LEU 287 N 0.95 0.93 -0.49 3.11 5.85 -0.29 -0.69 115.31 124.68 1jf9 h LEU 287 Ca 0.27 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1jf9 h LEU 287 Cb -0.08 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.65 1jf9 h LEU 287 CO -0.07 0.79 0.20 1.23 -0.34 0.00 0.00 178.44 180.25 1jf9 h GLY 288 N 1.01 0.67 1.55 3.75 0.00 -0.89 0.63 103.07 109.78 1jf9 h GLY 288 Ca 0.25 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 1jf9 h GLY 288 CO -0.04 0.04 0.02 0.00 0.00 0.00 0.00 176.54 176.56 1jf9 h ALA 289 N 1.31 1.36 -0.42 3.60 0.00 -0.93 -1.40 119.26 122.77 1jf9 h ALA 289 Ca 0.23 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1jf9 h ALA 289 Cb 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1jf9 h ALA 289 CO -0.21 0.45 -0.14 0.00 0.00 0.00 0.00 179.25 179.34 1jf9 h ALA 290 N 1.49 0.59 -0.66 0.00 0.00 -0.01 -0.83 119.26 119.85 1jf9 h ALA 290 Ca 0.12 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jf9 h ALA 290 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1jf9 h ALA 290 CO 0.01 0.50 0.37 -0.07 0.00 0.00 0.00 179.25 180.06 1jf9 h LEU 291 N 0.66 0.81 -0.54 0.00 3.38 -0.53 -0.81 115.31 118.28 1jf9 h LEU 291 Ca 0.10 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1jf9 h LEU 291 Cb 0.68 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1jf9 h LEU 291 CO 0.05 0.65 0.30 -0.33 0.09 0.00 0.00 178.44 179.21 1jf9 h GLU 292 N 0.89 0.75 -0.04 1.13 5.08 -1.11 -0.34 114.58 120.94 1jf9 h GLU 292 Ca 0.23 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 1jf9 h GLU 292 Cb 0.01 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.10 1jf9 h GLU 292 CO -0.04 0.58 -0.05 -0.92 -1.00 0.00 0.00 179.01 177.58 1jf9 h TYR 293 N 0.73 -0.11 -0.44 4.33 3.20 -0.86 0.07 116.97 123.89 1jf9 h TYR 293 Ca 0.19 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.03 1jf9 h TYR 293 Cb 0.04 0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 1jf9 h TYR 293 CO -0.02 -0.07 0.14 0.28 -1.64 0.00 0.00 178.16 176.85 1jf9 h VAL 294 N -0.06 1.22 -0.27 1.81 2.07 -0.97 -2.59 116.25 117.46 1jf9 h VAL 294 Ca 0.04 -0.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1jf9 h VAL 294 Cb 0.11 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1jf9 h VAL 294 CO -0.08 0.26 -0.01 0.28 0.02 0.00 0.00 177.57 178.04 1jf9 h SER 295 N 0.56 0.38 0.21 0.57 0.02 -0.91 0.08 113.55 114.45 1jf9 h SER 295 Ca 0.14 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.89 1jf9 h SER 295 Cb 0.26 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1jf9 h SER 295 CO -0.00 0.45 -0.52 0.00 -1.14 0.00 0.00 176.83 175.61 1jf9 h ALA 296 N 1.61 0.88 -0.13 3.77 0.00 -0.82 -2.87 119.26 121.69 1jf9 h ALA 296 Ca 0.09 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.33 1jf9 h ALA 296 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jf9 h ALA 296 CO 0.01 0.68 -0.66 -0.07 0.00 0.00 0.00 179.25 179.21 1jf9 h LEU 297 N 0.27 0.60 -0.21 0.00 3.38 -1.10 -3.50 115.31 114.75 1jf9 h LEU 297 Ca 0.01 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1jf9 h LEU 297 Cb 1.01 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1jf9 h LEU 297 CO 0.09 1.09 0.00 0.61 0.09 0.00 0.00 178.44 180.32 1jf9 n GLY 298 N 0.44 0.42 0.22 0.83 0.00 -0.02 -4.63 105.19 102.46 1jf9 n GLY 298 Ca -0.04 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.96 1jf9 n GLY 298 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jf9 h LEU 299 N 0.00 0.00 -0.59 0.99 3.38 -1.85 -1.13 115.31 116.11 1jf9 h LEU 299 Ca 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1jf9 h LEU 299 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jf9 h LEU 299 CO 0.00 0.21 -0.69 0.78 0.09 0.00 0.00 178.44 178.84 1jf9 h ASN 300 N 0.00 0.12 -0.31 -0.43 2.35 -1.91 -0.97 115.58 114.43 1jf9 h ASN 300 Ca -0.00 -0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.58 1jf9 h ASN 300 Cb 0.41 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 1jf9 h ASN 300 CO 0.03 0.77 -0.16 0.78 -1.65 0.00 0.00 177.43 177.20 1jf9 h ASN 301 N 0.07 0.68 0.10 5.81 -0.26 -1.62 -1.88 115.58 118.47 1jf9 h ASN 301 Ca -0.01 -0.41 -0.00 0.00 -0.56 0.00 0.00 56.30 55.31 1jf9 h ASN 301 Cb 1.22 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 38.29 1jf9 h ASN 301 CO 0.10 0.94 -0.05 0.40 -1.06 0.00 0.00 177.43 177.76 1jf9 h ILE 302 N 0.42 0.94 -1.00 2.81 2.04 -1.17 -2.07 117.51 119.48 1jf9 h ILE 302 Ca 0.07 -0.13 0.11 0.00 1.00 0.00 0.00 64.86 65.91 1jf9 h ILE 302 Cb 0.69 1.03 -0.08 0.00 -0.74 0.00 0.00 36.82 37.72 1jf9 h ILE 302 CO 0.05 0.03 0.63 0.00 0.00 0.00 0.00 178.15 178.86 1jf9 h ALA 303 N 0.71 1.53 -0.16 1.87 0.00 -1.11 -0.36 119.26 121.74 1jf9 h ALA 303 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jf9 h ALA 303 Cb 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jf9 h ALA 303 CO 0.02 0.24 -0.03 1.49 0.00 0.00 0.00 179.25 180.97 1jf9 h GLU 304 N 1.00 0.31 -0.43 0.00 4.81 -1.11 -1.10 114.58 118.05 1jf9 h GLU 304 Ca 0.49 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.59 1jf9 h GLU 304 Cb 0.46 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.80 1jf9 h GLU 304 CO -0.25 0.58 0.21 -0.92 -0.73 0.00 0.00 179.01 177.90 1jf9 h TYR 305 N 0.01 0.62 -0.64 0.92 3.20 -0.99 -2.37 116.97 117.72 1jf9 h TYR 305 Ca 0.04 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.85 1jf9 h TYR 305 Cb 0.46 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1jf9 h TYR 305 CO 0.05 0.50 0.29 0.93 -1.64 0.00 0.00 178.16 178.28 1jf9 h GLU 306 N 0.56 0.94 -0.59 1.82 5.08 -1.04 -0.54 114.58 120.80 1jf9 h GLU 306 Ca 0.15 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1jf9 h GLU 306 Cb 0.11 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1jf9 h GLU 306 CO -0.02 0.77 0.13 0.37 -1.00 0.00 0.00 179.01 179.26 1jf9 h GLN 307 N 0.89 0.93 -0.35 2.33 5.75 -1.13 -0.04 115.11 123.49 1jf9 h GLN 307 Ca 0.22 -0.21 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 1jf9 h GLN 307 Cb 0.16 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 1jf9 h GLN 307 CO -0.02 0.84 -0.10 -0.97 -2.65 0.00 0.00 178.83 175.93 1jf9 h ASN 308 N 0.88 0.69 -0.86 -0.69 -0.73 -1.10 -0.56 115.58 113.21 1jf9 h ASN 308 Ca 0.19 -0.37 -0.01 0.00 1.87 0.00 0.00 56.30 57.98 1jf9 h ASN 308 Cb 0.34 -0.19 -0.04 0.00 0.27 0.00 0.00 38.32 38.69 1jf9 h ASN 308 CO 0.00 0.90 0.50 0.25 -0.37 0.00 0.00 177.43 178.72 1jf9 h LEU 309 N 0.48 1.05 -0.40 0.34 5.85 -0.85 -0.64 115.31 121.14 1jf9 h LEU 309 Ca 0.09 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1jf9 h LEU 309 Cb 0.61 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1jf9 h LEU 309 CO 0.04 0.82 0.13 -0.03 -0.34 0.00 0.00 178.44 179.06 1jf9 h MET 310 N 1.19 0.62 -0.54 1.25 4.05 -0.80 0.26 114.93 120.96 1jf9 h MET 310 Ca 0.31 -0.13 -0.00 0.00 -0.28 0.00 0.00 59.70 59.60 1jf9 h MET 310 Cb -0.02 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 1jf9 h MET 310 CO -0.06 0.61 0.32 0.45 0.23 0.00 0.00 176.91 178.46 1jf9 h HIS 311 N 0.50 0.71 -0.39 1.39 3.86 -0.84 -0.25 115.15 120.12 1jf9 h HIS 311 Ca 0.13 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1jf9 h HIS 311 Cb 0.24 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1jf9 h HIS 311 CO 0.01 0.49 0.24 -0.92 0.86 0.00 0.00 177.93 178.61 1jf9 h TYR 312 N 0.72 0.51 -0.25 2.45 3.20 -0.75 -2.06 116.97 120.79 1jf9 h TYR 312 Ca 0.19 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1jf9 h TYR 312 Cb -0.01 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 1jf9 h TYR 312 CO -0.02 0.36 0.13 0.00 -1.64 0.00 0.00 178.16 176.99 1jf9 h ALA 313 N 1.11 0.33 -0.97 1.82 0.00 -0.52 -0.63 119.26 120.40 1jf9 h ALA 313 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jf9 h ALA 313 Cb -0.01 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1jf9 h ALA 313 CO -0.03 -0.13 0.62 -0.07 0.00 0.00 0.00 179.25 179.64 1jf9 h LEU 314 N 0.29 1.14 -0.46 0.00 3.38 -0.99 0.10 115.31 118.77 1jf9 h LEU 314 Ca 0.09 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1jf9 h LEU 314 Cb 0.09 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1jf9 h LEU 314 CO -0.01 0.85 -0.01 -1.28 0.09 0.00 0.00 178.44 178.08 1jf9 h SER 315 N 1.33 0.80 0.24 -0.43 0.87 -1.09 -3.11 113.55 112.16 1jf9 h SER 315 Ca 0.35 -0.31 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1jf9 h SER 315 Cb -0.11 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.62 1jf9 h SER 315 CO -0.07 0.91 -0.45 1.56 -0.53 0.00 0.00 176.83 178.25 1jf9 h GLN 316 N 0.66 0.26 0.00 2.24 1.08 -0.65 -3.14 115.11 115.56 1jf9 h GLN 316 Ca 0.13 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1jf9 h GLN 316 Cb 0.51 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1jf9 h GLN 316 CO 0.02 0.67 0.00 -0.07 -0.95 0.00 0.00 178.83 178.50 1jf9 h LEU 317 N 0.21 0.00 -2.12 1.46 3.38 -0.75 -2.01 115.31 115.49 1jf9 h LEU 317 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1jf9 h LEU 317 Cb 0.89 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1jf9 h LEU 317 CO 0.07 0.00 -0.08 -0.33 0.09 0.00 0.00 178.44 178.20 1jf9 h GLU 318 N 0.00 0.00 -0.50 1.13 5.08 -1.53 -1.61 114.58 117.15 1jf9 h GLU 318 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jf9 h GLU 318 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1jf9 h GLU 318 CO 0.00 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 176.96 1jf9 n SER 319 N -3.69 1.85 -4.59 1.42 3.41 -0.75 -4.76 113.62 106.50 1jf9 n SER 319 Ca -0.02 -2.13 -0.39 0.00 -0.26 0.00 0.00 58.87 56.08 1jf9 n SER 319 Cb 0.18 -0.33 -0.10 0.00 -0.26 0.00 0.00 64.21 63.70 1jf9 n SER 319 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1jf9 s VAL 320 N -1.64 5.26 0.39 -3.33 1.01 -0.61 -4.99 120.40 116.49 1jf9 s VAL 320 Ca 0.17 0.29 -0.27 0.00 0.00 0.00 0.00 61.98 62.18 1jf9 s VAL 320 Cb 0.11 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 1jf9 s VAL 320 CO 0.09 0.20 1.34 -2.84 0.00 0.00 0.00 175.10 173.88 1jf9 s PRO 321 N 1.88 4.05 -1.50 2.72 0.02 -1.26 -3.38 135.00 137.52 1jf9 s PRO 321 Ca 0.10 2.25 -0.02 0.00 0.02 0.00 0.00 61.00 63.35 1jf9 s PRO 321 Cb -0.16 -2.85 0.01 0.00 0.02 0.00 0.00 34.50 31.52 1jf9 s PRO 321 CO 0.11 -0.46 0.17 -0.25 -0.33 0.00 0.00 177.00 176.24 1jf9 n ASP 322 N 0.30 -5.25 -4.73 2.53 8.00 -1.26 -4.65 116.55 111.48 1jf9 n ASP 322 Ca 0.03 -0.05 -0.40 0.00 0.71 0.00 0.00 54.79 55.08 1jf9 n ASP 322 Cb 0.42 -4.36 -0.05 0.00 -0.02 0.00 0.00 41.12 37.12 1jf9 n ASP 322 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1jf9 s LEU 323 N -6.10 4.37 -0.17 0.64 2.96 -1.22 0.25 118.68 119.41 1jf9 s LEU 323 Ca 0.10 1.31 -0.05 0.00 -0.22 0.00 0.00 54.13 55.27 1jf9 s LEU 323 Cb -0.05 -3.16 -0.03 0.00 0.50 0.00 0.00 46.19 43.45 1jf9 s LEU 323 CO 0.12 -0.07 0.01 -0.89 -1.32 0.00 0.00 176.35 174.20 1jf9 s THR 324 N 0.46 4.29 0.02 3.68 2.01 -0.03 -4.96 115.64 121.11 1jf9 s THR 324 Ca 0.39 -0.21 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1jf9 s THR 324 Cb -0.19 -2.91 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 1jf9 s THR 324 CO 0.20 0.47 0.02 -0.76 -0.69 0.00 0.00 174.62 173.87 1jf9 s LEU 325 N 0.44 3.59 -0.10 4.42 1.43 -1.26 -1.36 118.68 125.83 1jf9 s LEU 325 Ca -0.01 -0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1jf9 s LEU 325 Cb -0.13 -2.13 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1jf9 s LEU 325 CO 0.02 0.25 -0.22 -0.31 0.23 0.00 0.00 176.35 176.31 1jf9 s TYR 326 N -1.17 2.47 0.00 0.29 1.51 -0.55 -4.98 117.35 114.92 1jf9 s TYR 326 Ca 0.22 -1.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.22 1jf9 s TYR 326 Cb -0.12 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.07 1jf9 s TYR 326 CO 0.13 -0.44 0.00 0.41 -1.11 0.00 0.00 175.55 174.54 1jf9 n GLY 327 N 3.66 2.53 3.84 0.71 0.00 -1.26 -4.34 105.19 110.33 1jf9 n GLY 327 Ca -0.19 -2.11 -0.31 0.00 0.00 0.00 0.00 46.02 43.40 1jf9 n GLY 327 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jf9 s PRO 328 N -2.13 3.14 0.44 1.61 0.04 -0.60 -4.70 135.00 132.79 1jf9 s PRO 328 Ca 0.00 0.86 0.19 0.00 0.04 0.00 0.00 61.00 62.09 1jf9 s PRO 328 Cb 0.00 -2.02 1.01 0.00 0.04 0.00 0.00 34.50 33.53 1jf9 s PRO 328 CO 0.00 -0.93 1.92 1.96 0.04 0.00 0.00 177.00 179.99 1jf9 h GLN 329 N -0.59 0.00 -0.87 4.56 4.20 -1.96 -2.48 115.11 117.97 1jf9 h GLN 329 Ca -0.44 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.19 1jf9 h GLN 329 Cb 1.21 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.94 1jf9 h GLN 329 CO 0.59 0.26 0.10 0.27 -0.67 0.00 0.00 178.83 179.37 1jf9 n ASN 330 N -3.85 3.25 -4.55 1.46 0.23 -1.26 -4.96 115.26 105.58 1jf9 n ASN 330 Ca -0.02 -2.53 -0.40 0.00 -0.53 0.00 0.00 54.58 51.10 1jf9 n ASN 330 Cb 0.35 -0.61 0.02 0.00 -2.08 0.00 0.00 39.78 37.46 1jf9 n ASN 330 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1jf9 n ARG 331 N 0.11 0.96 -4.51 -3.83 1.85 -0.94 -4.88 116.66 105.43 1jf9 n ARG 331 Ca 0.18 0.35 -0.34 0.00 -1.00 0.00 0.00 57.85 57.04 1jf9 n ARG 331 Cb 0.81 -1.87 -0.11 0.00 -1.05 0.00 0.00 32.46 30.24 1jf9 n ARG 331 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1jf9 s LEU 332 N 0.01 3.34 0.00 2.89 1.43 -0.38 -4.87 118.68 121.10 1jf9 s LEU 332 Ca 0.66 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 1jf9 s LEU 332 Cb -0.53 -1.75 0.00 0.00 0.03 0.00 0.00 46.19 43.94 1jf9 s LEU 332 CO 0.55 0.36 0.00 0.61 0.23 0.00 0.00 176.35 178.10 1jf9 n GLY 333 N 2.25 0.58 3.27 -3.19 0.00 -1.26 -4.35 105.19 102.49 1jf9 n GLY 333 Ca -0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.61 1jf9 n GLY 333 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jf9 s VAL 334 N 0.00 1.64 -0.21 1.61 -7.23 -1.26 -0.31 120.40 114.64 1jf9 s VAL 334 Ca 0.00 -1.52 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 1jf9 s VAL 334 Cb 0.00 -1.50 0.04 0.00 0.56 0.00 0.00 36.38 35.48 1jf9 s VAL 334 CO 0.00 -0.09 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.96 1jf9 s ILE 335 N -1.20 1.83 -0.17 -0.62 1.01 0.20 -4.56 121.20 117.70 1jf9 s ILE 335 Ca 0.06 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 59.46 1jf9 s ILE 335 Cb -0.10 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 1jf9 s ILE 335 CO 0.04 0.17 0.16 0.00 0.00 0.00 0.00 174.94 175.31 1jf9 s ALA 336 N 1.31 3.73 0.21 9.38 0.00 -1.25 0.07 121.76 135.21 1jf9 s ALA 336 Ca -0.02 -0.64 -0.17 0.00 0.00 0.00 0.00 51.96 51.14 1jf9 s ALA 336 Cb -0.17 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.83 1jf9 s ALA 336 CO -0.08 0.29 0.51 -0.59 0.00 0.00 0.00 175.76 175.89 1jf9 s PHE 337 N -0.06 -0.02 0.02 0.00 -0.71 0.23 -1.48 117.98 115.95 1jf9 s PHE 337 Ca 0.11 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 55.69 1jf9 s PHE 337 Cb -0.12 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.04 1jf9 s PHE 337 CO 0.01 -0.94 -0.06 -0.80 -1.34 0.00 0.00 175.22 172.09 1jf9 s ASN 338 N -2.90 0.66 -0.29 1.98 0.01 -0.46 -0.87 114.94 113.06 1jf9 s ASN 338 Ca 0.12 -0.31 -0.08 0.00 -0.71 0.00 0.00 52.86 51.88 1jf9 s ASN 338 Cb -0.01 -0.01 -0.00 0.00 0.41 0.00 0.00 41.25 41.64 1jf9 s ASN 338 CO -0.00 -0.08 0.09 -0.22 -1.51 0.00 0.00 177.10 175.38 1jf9 s LEU 339 N -0.82 3.82 0.00 0.60 2.96 -1.26 -0.85 118.68 123.13 1jf9 s LEU 339 Ca -0.04 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.30 1jf9 s LEU 339 Cb -0.06 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.72 1jf9 s LEU 339 CO 0.00 -0.16 0.00 0.61 -1.32 0.00 0.00 176.35 175.48 1jf9 n GLY 340 N 4.91 2.57 1.04 7.98 0.00 0.14 -1.21 105.19 120.61 1jf9 n GLY 340 Ca -0.15 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 45.90 1jf9 n GLY 340 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jf9 n LYS 341 N 14.00 2.35 -2.19 1.61 4.76 -1.26 -4.95 118.16 132.47 1jf9 n LYS 341 Ca 0.00 -2.15 -0.40 0.00 -2.87 0.00 0.00 58.31 52.90 1jf9 n LYS 341 Cb 0.00 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.70 1jf9 n LYS 341 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1jf9 s HIS 342 N -1.46 3.06 0.42 2.13 3.76 -0.35 -4.98 115.29 117.88 1jf9 s HIS 342 Ca 0.34 1.49 -0.25 0.00 -0.15 0.00 0.00 55.06 56.49 1jf9 s HIS 342 Cb 0.21 -3.55 -0.08 0.00 1.11 0.00 0.00 32.58 30.26 1jf9 s HIS 342 CO 0.29 -1.61 1.29 -1.58 -0.85 0.00 0.00 174.74 172.28 1jf9 s HIS 343 N -1.24 2.79 0.34 1.40 2.46 -1.26 -4.52 115.29 115.26 1jf9 s HIS 343 Ca 0.52 1.42 0.05 0.00 0.47 0.00 0.00 55.06 57.53 1jf9 s HIS 343 Cb -0.36 -3.64 0.69 0.00 -0.13 0.00 0.00 32.58 29.14 1jf9 s HIS 343 CO 0.47 -2.07 1.90 0.00 -2.47 0.00 0.00 174.74 172.58 1jf9 h ALA 344 N 2.53 1.68 -0.79 1.58 0.00 -1.92 -1.28 119.26 121.07 1jf9 h ALA 344 Ca -0.50 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 54.49 1jf9 h ALA 344 Cb 1.25 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 1jf9 h ALA 344 CO 0.62 0.14 0.44 -0.92 0.00 0.00 0.00 179.25 179.53 1jf9 h TYR 345 N 0.83 0.80 -0.32 0.00 5.03 -1.92 0.40 116.97 121.80 1jf9 h TYR 345 Ca 0.40 0.03 -0.12 0.00 2.58 0.00 0.00 58.73 61.62 1jf9 h TYR 345 Cb 0.43 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 38.46 1jf9 h TYR 345 CO -0.00 0.34 -0.26 -0.44 -1.32 0.00 0.00 178.16 176.47 1jf9 h ASP 346 N 0.76 0.79 -0.39 -2.11 3.32 -1.62 -0.44 116.42 116.73 1jf9 h ASP 346 Ca 0.37 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 1jf9 h ASP 346 Cb 0.32 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1jf9 h ASP 346 CO -0.23 1.07 0.24 0.58 -1.72 0.00 0.00 179.24 179.18 1jf9 h VAL 347 N 0.51 1.13 -0.44 -1.35 2.07 -1.04 -1.44 116.25 115.68 1jf9 h VAL 347 Ca 0.06 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1jf9 h VAL 347 Cb 0.83 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1jf9 h VAL 347 CO 0.07 0.13 0.04 1.23 0.02 0.00 0.00 177.57 179.06 1jf9 h GLY 348 N 0.51 0.75 1.05 2.17 0.00 -0.93 0.10 103.07 106.72 1jf9 h GLY 348 Ca 0.14 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.94 1jf9 h GLY 348 CO -0.03 0.43 0.12 1.76 0.00 0.00 0.00 176.54 178.82 1jf9 h SER 349 N 0.67 1.00 -0.45 0.19 0.02 -0.62 -0.39 113.55 113.98 1jf9 h SER 349 Ca 0.14 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1jf9 h SER 349 Cb 0.36 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1jf9 h SER 349 CO 0.01 1.00 -0.24 -0.26 -1.14 0.00 0.00 176.83 176.19 1jf9 h PHE 350 N 0.97 1.13 -0.79 3.45 -1.00 -0.76 -1.63 116.94 118.30 1jf9 h PHE 350 Ca 0.20 -0.28 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1jf9 h PHE 350 Cb 0.41 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.67 1jf9 h PHE 350 CO 0.03 1.11 0.43 -0.07 -1.61 0.00 0.00 178.31 178.20 1jf9 h LEU 351 N 0.84 0.99 -1.07 1.54 3.38 -0.80 -1.16 115.31 119.02 1jf9 h LEU 351 Ca 0.10 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1jf9 h LEU 351 Cb 0.82 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1jf9 h LEU 351 CO 0.07 0.81 0.10 -0.78 0.09 0.00 0.00 178.44 178.73 1jf9 h ASP 352 N 1.10 0.70 0.30 -0.43 3.58 -0.77 -1.10 116.42 119.81 1jf9 h ASP 352 Ca 0.28 -0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.57 1jf9 h ASP 352 Cb 0.04 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 1jf9 h ASP 352 CO -0.04 0.71 -0.14 -1.13 -2.88 0.00 0.00 179.24 175.76 1jf9 h ASN 353 N 0.73 0.00 -0.03 2.28 -1.24 -0.25 0.12 115.58 117.18 1jf9 h ASN 353 Ca 0.16 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 1jf9 h ASN 353 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1jf9 h ASN 353 CO 0.00 0.14 0.00 -1.22 -1.29 0.00 0.00 177.43 175.06 1jf9 n TYR 354 N -3.84 0.03 -0.48 0.67 4.01 -0.66 -4.91 117.16 111.97 1jf9 n TYR 354 Ca -0.02 -0.02 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1jf9 n TYR 354 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.27 1jf9 n TYR 354 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jf9 n GLY 355 N 1.08 0.76 3.47 2.72 0.00 0.40 -4.84 105.19 108.78 1jf9 n GLY 355 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 1jf9 n GLY 355 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jf9 s ILE 356 N -2.21 4.49 -0.36 -0.61 1.01 -0.51 -0.38 121.20 122.64 1jf9 s ILE 356 Ca 0.00 -0.11 -0.16 0.00 0.00 0.00 0.00 60.65 60.38 1jf9 s ILE 356 Cb 0.00 -3.11 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1jf9 s ILE 356 CO 0.00 0.33 0.39 0.00 0.00 0.00 0.00 174.94 175.65 1jf9 s ALA 357 N 1.61 3.48 0.31 9.38 0.00 0.33 -2.52 121.76 134.35 1jf9 s ALA 357 Ca 0.06 -1.29 0.07 0.00 0.00 0.00 0.00 51.96 50.80 1jf9 s ALA 357 Cb -0.15 -2.89 -0.06 0.00 0.00 0.00 0.00 23.12 20.01 1jf9 s ALA 357 CO 0.05 -1.22 -0.04 0.14 0.00 0.00 0.00 175.76 174.69 1jf9 s VAL 358 N 2.06 1.73 -0.09 0.00 -7.23 -1.26 -0.87 120.40 114.74 1jf9 s VAL 358 Ca 0.12 -2.11 -0.07 0.00 -1.81 0.00 0.00 61.98 58.12 1jf9 s VAL 358 Cb -0.17 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 1jf9 s VAL 358 CO 0.12 -0.20 0.16 -0.60 -0.31 0.00 0.00 175.10 174.27 1jf9 s ARG 359 N -3.73 3.47 0.11 4.82 3.52 -0.95 -4.93 118.95 121.26 1jf9 s ARG 359 Ca 0.32 -0.13 0.07 0.00 -0.13 0.00 0.00 55.73 55.86 1jf9 s ARG 359 Cb 0.05 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1jf9 s ARG 359 CO 0.14 0.75 -0.18 0.95 -0.81 0.00 0.00 175.30 176.16 1jf9 s THR 360 N -1.09 1.53 -1.93 4.11 -4.23 -1.26 -0.61 115.64 112.16 1jf9 s THR 360 Ca 0.18 -1.61 0.00 0.00 -1.18 0.00 0.00 61.69 59.08 1jf9 s THR 360 Cb -0.12 -1.51 0.00 0.00 1.34 0.00 0.00 72.50 72.21 1jf9 s THR 360 CO 0.07 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.54 1jf9 n GLY 361 N 0.85 0.52 0.65 3.99 0.00 -0.70 -4.76 105.19 105.74 1jf9 n GLY 361 Ca -0.18 -1.96 0.12 0.00 0.00 0.00 0.00 46.02 44.01 1jf9 n GLY 361 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jf9 n HIS 362 N 3.47 0.00 -2.86 1.61 -0.00 -1.26 -1.57 115.22 114.61 1jf9 n HIS 362 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.72 57.52 1jf9 n HIS 362 Cb 0.00 -0.02 0.01 0.00 -0.00 0.00 0.00 29.99 29.98 1jf9 n HIS 362 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1jf9 n HIS 363 N 0.50 -1.64 -3.86 -1.40 -0.00 -1.26 -1.00 115.22 106.56 1jf9 n HIS 363 Ca 0.14 0.31 -0.29 0.00 -0.00 0.00 0.00 57.72 57.88 1jf9 n HIS 363 Cb 0.48 -3.72 0.03 0.00 -0.00 0.00 0.00 29.99 26.78 1jf9 n HIS 363 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jf9 n ALA 365 N -4.68 1.20 -0.30 0.00 0.00 -0.17 -0.03 120.51 116.52 1jf9 n ALA 365 Ca 0.01 -2.81 -0.04 0.00 0.00 0.00 0.00 53.44 50.60 1jf9 n ALA 365 Cb 0.54 -0.99 0.07 0.00 0.00 0.00 0.00 19.45 19.08 1jf9 n ALA 365 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1jf9 h MET 366 N 3.35 1.07 -0.43 0.00 2.86 -1.88 -1.30 114.93 118.61 1jf9 h MET 366 Ca 0.03 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1jf9 h MET 366 Cb 0.98 -0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.38 1jf9 h MET 366 CO 0.40 0.72 0.27 -1.35 1.06 0.00 0.00 176.91 178.00 1jf9 h PRO 367 N 1.10 0.57 -0.26 -0.22 0.11 -1.90 0.28 132.00 131.68 1jf9 h PRO 367 Ca 0.30 -0.04 -0.18 0.00 0.11 0.00 0.00 66.00 66.19 1jf9 h PRO 367 Cb -0.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 30.87 1jf9 h PRO 367 CO -0.06 0.39 -0.54 1.25 -0.21 0.00 0.00 178.00 178.83 1jf9 h LEU 368 N 0.58 0.92 -0.49 2.35 5.85 -1.38 -0.44 115.31 122.71 1jf9 h LEU 368 Ca 0.16 -0.55 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 1jf9 h LEU 368 Cb -0.04 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 1jf9 h LEU 368 CO -0.03 1.30 0.16 0.24 -0.34 0.00 0.00 178.44 179.77 1jf9 h MET 369 N 0.58 0.76 -0.89 1.25 2.86 -0.06 -2.72 114.93 116.71 1jf9 h MET 369 Ca 0.01 -0.16 -0.00 0.00 -2.06 0.00 0.00 59.70 57.48 1jf9 h MET 369 Cb 1.15 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 32.65 1jf9 h MET 369 CO 0.12 0.71 0.54 0.00 1.06 0.00 0.00 176.91 179.34 1jf9 h ALA 370 N 1.02 1.14 -0.75 6.32 0.00 -0.83 -2.05 119.26 124.10 1jf9 h ALA 370 Ca 0.16 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1jf9 h ALA 370 Cb 0.26 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 1jf9 h ALA 370 CO -0.01 0.59 0.42 -0.92 0.00 0.00 0.00 179.25 179.33 1jf9 h TYR 371 N 1.23 0.77 -0.07 0.00 3.20 -0.77 0.37 116.97 121.69 1jf9 h TYR 371 Ca 0.32 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.22 1jf9 h TYR 371 Cb -0.06 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1jf9 h TYR 371 CO 0.00 0.34 0.00 0.66 -1.64 0.00 0.00 178.16 177.52 1jf9 n TYR 372 N -4.76 0.09 -3.74 -3.82 4.01 -0.91 -4.93 117.16 103.09 1jf9 n TYR 372 Ca 0.11 -0.05 -0.26 0.00 -0.16 0.00 0.00 57.90 57.54 1jf9 n TYR 372 Cb 0.22 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.31 1jf9 n TYR 372 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1jf9 n ASN 373 N -0.23 -5.09 -4.20 7.72 5.03 0.12 -5.01 115.26 113.60 1jf9 n ASN 373 Ca 0.16 -0.67 -0.18 0.00 0.87 0.00 0.00 54.58 54.76 1jf9 n ASN 373 Cb 0.21 -4.45 -0.12 0.00 -1.02 0.00 0.00 39.78 34.41 1jf9 n ASN 373 CO 0.00 0.00 0.00 0.68 -1.83 0.00 0.00 177.26 176.11 1jf9 s VAL 374 N -3.34 1.22 0.18 2.41 -7.23 -0.93 -5.03 120.40 107.67 1jf9 s VAL 374 Ca 0.55 -1.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.29 1jf9 s VAL 374 Cb -0.26 -1.28 -0.14 0.00 0.56 0.00 0.00 36.38 35.26 1jf9 s VAL 374 CO 0.78 -0.30 1.41 1.55 -0.31 0.00 0.00 175.10 178.23 1jf9 h PRO 375 N 3.96 0.11 -3.08 4.82 0.13 -1.95 -3.36 132.00 132.62 1jf9 h PRO 375 Ca -0.41 -0.12 0.03 0.00 -0.87 0.00 0.00 66.00 64.63 1jf9 h PRO 375 Cb 1.19 0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 1jf9 h PRO 375 CO 0.44 0.89 0.20 0.00 -0.23 0.00 0.00 178.00 179.30 1jf9 s ALA 376 N -3.19 -0.97 0.10 -0.56 0.00 -1.26 -4.49 121.76 111.39 1jf9 s ALA 376 Ca -0.02 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.36 1jf9 s ALA 376 Cb 0.11 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 24.06 1jf9 s ALA 376 CO 0.81 -1.00 0.19 -1.64 0.00 0.00 0.00 175.76 174.12 1jf9 s MET 377 N -3.52 0.89 0.18 0.00 -1.94 -0.61 -4.82 119.30 109.49 1jf9 s MET 377 Ca 0.14 -1.02 -0.02 0.00 -1.71 0.00 0.00 55.69 53.08 1jf9 s MET 377 Cb -0.05 0.34 -0.05 0.00 2.01 0.00 0.00 34.83 37.08 1jf9 s MET 377 CO 0.09 -0.29 0.38 0.00 -0.01 0.00 0.00 175.02 175.19 1jf9 s ARG 379 N -3.15 0.01 -0.17 0.00 3.52 0.22 -0.60 118.95 118.78 1jf9 s ARG 379 Ca 0.39 0.40 -0.08 0.00 -0.13 0.00 0.00 55.73 56.31 1jf9 s ARG 379 Cb -0.11 -0.30 -0.04 0.00 -1.56 0.00 0.00 34.95 32.93 1jf9 s ARG 379 CO 0.28 -0.25 0.11 0.00 -0.81 0.00 0.00 175.30 174.63 1jf9 s ALA 380 N 1.75 3.68 -0.12 6.12 0.00 0.11 -2.24 121.76 131.06 1jf9 s ALA 380 Ca -0.02 -0.69 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1jf9 s ALA 380 Cb -0.12 -2.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.94 1jf9 s ALA 380 CO -0.05 0.33 0.09 -1.12 0.00 0.00 0.00 175.76 175.02 1jf9 s SER 381 N -0.14 5.96 -0.55 0.00 0.01 0.11 -0.63 113.70 118.46 1jf9 s SER 381 Ca 0.10 0.32 0.03 0.00 1.31 0.00 0.00 55.95 57.71 1jf9 s SER 381 Cb -0.12 -1.88 0.14 0.00 0.21 0.00 0.00 66.02 64.37 1jf9 s SER 381 CO 0.00 0.37 0.31 -0.76 0.41 0.00 0.00 173.24 173.57 1jf9 s LEU 382 N -0.77 4.49 0.80 2.44 1.43 0.58 -4.47 118.68 123.17 1jf9 s LEU 382 Ca 0.13 -3.08 -0.04 0.00 -1.03 0.00 0.00 54.13 50.11 1jf9 s LEU 382 Cb -0.12 -1.67 0.16 0.00 0.03 0.00 0.00 46.19 44.60 1jf9 s LEU 382 CO 0.03 -0.23 1.10 0.00 0.23 0.00 0.00 176.35 177.47 1jf9 s ALA 383 N -0.39 3.38 0.53 4.21 0.00 -1.26 -4.69 121.76 123.54 1jf9 s ALA 383 Ca 0.18 -1.74 0.32 0.00 0.00 0.00 0.00 51.96 50.71 1jf9 s ALA 383 Cb -0.23 -2.12 1.80 0.00 0.00 0.00 0.00 23.12 22.57 1jf9 s ALA 383 CO -0.02 -1.81 2.21 0.00 0.00 0.00 0.00 175.76 176.14 1jf9 h MET 384 N -0.87 0.00 -0.42 0.00 -0.00 -1.95 -1.05 114.93 110.64 1jf9 h MET 384 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.33 1jf9 h MET 384 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.85 1jf9 h MET 384 CO 0.36 0.04 0.00 2.48 -0.00 0.00 0.00 176.91 179.79 1jf9 n TYR 385 N -3.60 0.54 -3.00 -0.10 0.18 -1.26 -4.84 117.16 105.08 1jf9 n TYR 385 Ca -0.02 -0.27 -0.28 0.00 1.88 0.00 0.00 57.90 59.21 1jf9 n TYR 385 Cb 0.14 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.08 1jf9 n TYR 385 CO 0.00 0.00 0.00 -0.80 -2.08 0.00 0.00 176.86 173.98 1jf9 s ASN 386 N -1.38 6.39 0.35 9.48 0.02 -0.40 -4.85 114.94 124.54 1jf9 s ASN 386 Ca 0.39 0.85 0.06 0.00 -1.02 0.00 0.00 52.86 53.13 1jf9 s ASN 386 Cb 0.22 -2.21 -0.07 0.00 0.02 0.00 0.00 41.25 39.21 1jf9 s ASN 386 CO 0.30 -0.38 0.02 0.42 0.02 0.00 0.00 177.10 177.48 1jf9 s THR 387 N -2.40 1.58 0.29 1.60 -4.23 -1.26 -4.93 115.64 106.29 1jf9 s THR 387 Ca 0.46 -2.03 -0.00 0.00 -1.18 0.00 0.00 61.69 58.94 1jf9 s THR 387 Cb -0.10 -2.81 0.28 0.00 1.34 0.00 0.00 72.50 71.21 1jf9 s THR 387 CO 0.36 -0.06 1.90 0.45 -0.54 0.00 0.00 174.62 176.74 1jf9 h HIS 388 N 2.02 1.09 -0.73 3.99 3.86 -1.99 -1.64 115.15 121.75 1jf9 h HIS 388 Ca -0.42 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 58.76 1jf9 h HIS 388 Cb 1.24 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 1jf9 h HIS 388 CO 0.65 0.57 0.22 1.49 0.86 0.00 0.00 177.93 181.72 1jf9 h GLU 389 N 1.07 1.15 -0.37 2.45 4.81 -1.98 0.28 114.58 121.99 1jf9 h GLU 389 Ca 0.40 -0.25 -0.11 0.00 -0.13 0.00 0.00 59.36 59.26 1jf9 h GLU 389 Cb 0.19 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1jf9 h GLU 389 CO -0.15 0.98 -0.23 0.93 -0.73 0.00 0.00 179.01 179.81 1jf9 h GLU 390 N 1.09 0.74 -0.51 1.92 5.08 -1.73 -0.33 114.58 120.83 1jf9 h GLU 390 Ca 0.23 -0.30 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1jf9 h GLU 390 Cb 0.33 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1jf9 h GLU 390 CO -0.00 0.90 0.26 0.28 -1.00 0.00 0.00 179.01 179.44 1jf9 h VAL 391 N 0.64 1.19 -0.86 3.13 2.07 -0.82 -1.91 116.25 119.69 1jf9 h VAL 391 Ca 0.09 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1jf9 h VAL 391 Cb 0.74 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 31.05 1jf9 h VAL 391 CO 0.06 0.21 0.56 0.44 0.02 0.00 0.00 177.57 178.85 1jf9 h ASP 392 N 0.68 1.01 -0.31 0.57 3.32 -0.09 -1.56 116.42 120.04 1jf9 h ASP 392 Ca 0.18 -0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1jf9 h ASP 392 Cb 0.09 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1jf9 h ASP 392 CO -0.02 0.74 0.06 0.03 -1.72 0.00 0.00 179.24 178.33 1jf9 h ARG 393 N 1.18 0.60 -0.29 3.56 3.08 -0.65 -1.57 114.38 120.29 1jf9 h ARG 393 Ca 0.31 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1jf9 h ARG 393 Cb -0.11 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1jf9 h ARG 393 CO -0.07 0.58 0.02 1.25 -1.07 0.00 0.00 179.97 180.69 1jf9 h LEU 394 N 0.58 0.49 -0.25 3.04 5.85 -0.72 -1.10 115.31 123.21 1jf9 h LEU 394 Ca 0.13 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1jf9 h LEU 394 Cb 0.28 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1jf9 h LEU 394 CO 0.00 0.66 0.10 0.58 -0.34 0.00 0.00 178.44 179.45 1jf9 h VAL 395 N 0.31 1.17 -0.41 1.05 2.07 -1.02 -1.23 116.25 118.18 1jf9 h VAL 395 Ca 0.09 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.10 1jf9 h VAL 395 Cb 0.39 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1jf9 h VAL 395 CO 0.01 0.17 0.26 0.74 0.02 0.00 0.00 177.57 178.77 1jf9 h THR 396 N 0.26 1.12 -0.83 2.57 2.02 -1.32 -1.24 112.91 115.50 1jf9 h THR 396 Ca 0.09 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 67.02 1jf9 h THR 396 Cb 0.17 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 67.09 1jf9 h THR 396 CO -0.01 0.12 0.55 1.23 0.37 0.00 0.00 175.52 177.78 1jf9 h GLY 397 N 0.55 1.17 1.39 2.16 0.00 -1.02 0.21 103.07 107.52 1jf9 h GLY 397 Ca 0.15 -0.44 -0.12 0.00 0.00 0.00 0.00 47.33 46.93 1jf9 h GLY 397 CO -0.03 0.42 -0.27 1.41 0.00 0.00 0.00 176.54 178.08 1jf9 h LEU 398 N 1.13 0.72 -0.50 3.11 3.38 -0.71 0.11 115.31 122.55 1jf9 h LEU 398 Ca 0.31 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1jf9 h LEU 398 Cb -0.12 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 1jf9 h LEU 398 CO -0.07 0.95 0.09 1.56 0.09 0.00 0.00 178.44 181.07 1jf9 h GLN 399 N 0.60 0.82 -0.40 1.13 4.20 -0.51 -1.52 115.11 119.43 1jf9 h GLN 399 Ca 0.08 -0.21 -0.05 0.00 0.06 0.00 0.00 58.65 58.53 1jf9 h GLN 399 Cb 0.77 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1jf9 h GLN 399 CO 0.06 0.81 0.06 0.00 -0.67 0.00 0.00 178.83 179.08 1jf9 h ARG 400 N 0.70 0.67 -0.34 1.46 3.08 -0.33 -0.60 114.38 119.01 1jf9 h ARG 400 Ca 0.15 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jf9 h ARG 400 Cb 0.38 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1jf9 h ARG 400 CO 0.01 0.72 0.20 0.82 -1.07 0.00 0.00 179.97 180.65 1jf9 h ILE 401 N 0.51 1.04 -0.78 2.04 2.04 -0.64 -0.72 117.51 121.01 1jf9 h ILE 401 Ca 0.12 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.79 1jf9 h ILE 401 Cb 0.38 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1jf9 h ILE 401 CO 0.01 0.07 0.29 -0.74 0.00 0.00 0.00 178.15 177.78 1jf9 h HIS 402 N 0.41 1.20 -0.18 1.37 2.76 -1.12 0.11 115.15 119.70 1jf9 h HIS 402 Ca 0.13 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1jf9 h HIS 402 Cb -0.00 -0.36 -0.01 0.00 1.55 0.00 0.00 27.41 28.59 1jf9 h HIS 402 CO -0.07 0.92 0.12 0.00 -1.30 0.00 0.00 177.93 177.59 1jf9 h ARG 403 N 1.13 0.24 -0.00 5.26 3.08 -0.61 -1.06 114.38 122.42 1jf9 h ARG 403 Ca 0.26 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.29 1jf9 h ARG 403 Cb 0.24 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1jf9 h ARG 403 CO -0.02 0.17 0.00 1.25 -1.07 0.00 0.00 179.97 180.31 1jf9 h LEU 404 N 0.23 0.00 0.00 3.04 5.85 -0.99 -3.33 115.31 120.12 1jf9 h LEU 404 Ca 0.07 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1jf9 h LEU 404 Cb -0.01 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1jf9 h LEU 404 CO -0.01 0.20 -0.64 0.18 -0.34 0.00 0.00 178.44 177.83 1jf9 n LEU 405 N -4.99 0.60 0.00 2.25 4.77 0.01 -5.11 117.00 114.53 1jf9 n LEU 405 Ca -0.08 -0.07 0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1jf9 n LEU 405 Cb 0.12 -0.19 0.80 0.00 -2.33 0.00 0.00 43.42 41.82 1jf9 n LEU 405 CO 0.33 0.13 0.98 0.61 -1.33 0.00 0.00 177.39 178.10