#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jdb s LYS 3 N 0.00 1.75 0.75 0.38 1.02 -1.26 -5.01 119.74 117.38 1jdb s LYS 3 Ca 0.00 -2.52 -0.13 0.00 0.02 0.00 0.00 55.97 53.34 1jdb s LYS 3 Cb 0.00 -2.84 0.05 0.00 -0.52 0.00 0.00 37.83 34.52 1jdb s LYS 3 CO 0.00 -1.19 1.13 -1.12 -0.92 0.00 0.00 175.35 173.25 1jdb s SER 4 N -0.29 4.33 0.05 2.83 0.01 -1.22 0.38 113.70 119.79 1jdb s SER 4 Ca 0.20 2.06 -0.21 0.00 1.31 0.00 0.00 55.95 59.32 1jdb s SER 4 Cb -0.18 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.54 1jdb s SER 4 CO -0.05 -2.16 0.48 0.00 0.41 0.00 0.00 173.24 171.92 1jdb s ALA 5 N -2.49 -1.21 -0.09 1.44 0.00 -1.19 -1.88 121.76 116.33 1jdb s ALA 5 Ca 0.67 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 1jdb s ALA 5 Cb -0.22 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1jdb s ALA 5 CO 0.50 -0.51 0.38 -1.17 0.00 0.00 0.00 175.76 174.96 1jdb s LEU 6 N -2.06 0.55 -0.12 0.00 0.20 -0.12 -2.67 118.68 114.46 1jdb s LEU 6 Ca -0.05 0.54 0.01 0.00 0.69 0.00 0.00 54.13 55.33 1jdb s LEU 6 Cb -0.01 1.39 0.02 0.00 -0.43 0.00 0.00 46.19 47.17 1jdb s LEU 6 CO -0.03 -0.27 -0.15 -0.22 -0.29 0.00 0.00 176.35 175.39 1jdb s LEU 7 N -0.42 1.69 -0.04 -0.68 2.96 -0.42 0.29 118.68 122.06 1jdb s LEU 7 Ca -0.05 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1jdb s LEU 7 Cb -0.03 -1.12 0.00 0.00 0.50 0.00 0.00 46.19 45.54 1jdb s LEU 7 CO 0.02 -0.01 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.22 1jdb s VAL 8 N 1.18 1.12 0.32 1.68 1.01 -0.39 -0.23 120.40 125.10 1jdb s VAL 8 Ca -0.02 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.51 1jdb s VAL 8 Cb -0.14 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 1jdb s VAL 8 CO -0.05 0.34 0.25 -0.76 0.00 0.00 0.00 175.10 174.88 1jdb s LEU 9 N 0.30 3.61 0.19 3.92 1.43 -0.79 0.57 118.68 127.92 1jdb s LEU 9 Ca -0.07 -0.46 -0.23 0.00 -1.03 0.00 0.00 54.13 52.33 1jdb s LEU 9 Cb -0.12 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 43.99 1jdb s LEU 9 CO 0.02 -0.27 1.49 -0.62 0.23 0.00 0.00 176.35 177.20 1jdb n GLU 10 N -1.30 -0.32 0.00 1.70 1.02 0.18 0.18 120.64 122.10 1jdb n GLU 10 Ca -0.03 1.47 0.00 0.00 -0.02 0.00 0.00 57.16 58.58 1jdb n GLU 10 Cb 0.59 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 29.84 1jdb n GLU 10 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1jdb n ASP 11 N -5.32 0.00 -1.26 1.62 5.75 -1.26 -4.78 116.55 111.31 1jdb n ASP 11 Ca 0.06 0.34 -0.04 0.00 -0.01 0.00 0.00 54.79 55.14 1jdb n ASP 11 Cb 0.32 -0.34 0.02 0.00 -1.03 0.00 0.00 41.12 40.09 1jdb n ASP 11 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jdb n GLY 12 N -1.34 0.51 3.68 6.12 0.00 0.49 -5.02 105.19 109.64 1jdb n GLY 12 Ca 0.00 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.21 1jdb n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jdb s THR 13 N -3.07 5.27 -0.12 2.61 2.01 -1.20 -4.83 115.64 116.31 1jdb s THR 13 Ca 0.07 0.52 -0.09 0.00 0.31 0.00 0.00 61.69 62.51 1jdb s THR 13 Cb -0.03 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.79 1jdb s THR 13 CO 0.15 0.31 0.18 -1.10 -0.69 0.00 0.00 174.62 173.47 1jdb s GLN 14 N 1.01 3.66 -0.29 4.92 -0.21 -1.26 -1.88 119.66 125.60 1jdb s GLN 14 Ca 0.15 -0.06 -0.01 0.00 0.02 0.00 0.00 55.36 55.46 1jdb s GLN 14 Cb -0.14 -3.24 0.09 0.00 1.00 0.00 0.00 33.01 30.72 1jdb s GLN 14 CO 0.06 0.67 0.09 -0.06 -2.12 0.00 0.00 175.29 173.92 1jdb s PHE 15 N -0.74 1.49 -0.36 0.91 0.08 0.68 -5.02 117.98 115.02 1jdb s PHE 15 Ca 0.15 -1.52 -0.19 0.00 0.12 0.00 0.00 56.93 55.49 1jdb s PHE 15 Cb -0.13 -1.53 -0.00 0.00 -0.57 0.00 0.00 43.02 40.79 1jdb s PHE 15 CO 0.04 -0.83 0.55 -1.01 -0.10 0.00 0.00 175.22 173.87 1jdb s HIS 16 N 1.70 3.17 0.00 0.36 3.76 -1.26 -1.31 115.29 121.70 1jdb s HIS 16 Ca 0.08 0.21 0.00 0.00 -0.15 0.00 0.00 55.06 55.20 1jdb s HIS 16 Cb -0.17 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.52 1jdb s HIS 16 CO -0.24 -0.58 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 1jdb n GLY 17 N 4.77 5.46 3.13 -2.22 0.00 -1.09 -4.75 105.19 110.50 1jdb n GLY 17 Ca -0.04 -0.81 -0.17 0.00 0.00 0.00 0.00 46.02 45.00 1jdb n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jdb s ARG 18 N 4.90 0.77 0.18 1.61 3.52 0.07 -3.17 118.95 126.82 1jdb s ARG 18 Ca 0.00 -0.84 -0.30 0.00 -0.13 0.00 0.00 55.73 54.47 1jdb s ARG 18 Cb 0.00 -0.72 -0.08 0.00 -1.56 0.00 0.00 34.95 32.59 1jdb s ARG 18 CO 0.00 0.16 0.94 0.00 -0.81 0.00 0.00 175.30 175.59 1jdb s ALA 19 N -1.15 3.31 0.00 6.12 0.00 0.16 -0.56 121.76 129.63 1jdb s ALA 19 Ca -0.03 0.58 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1jdb s ALA 19 Cb -0.09 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.81 1jdb s ALA 19 CO 0.02 0.11 0.33 0.44 0.00 0.00 0.00 175.76 176.66 1jdb n ILE 20 N 2.05 0.07 -2.08 0.00 -5.35 -1.09 -4.92 119.36 108.03 1jdb n ILE 20 Ca -0.00 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 1jdb n ILE 20 Cb 0.48 1.37 0.00 0.00 -1.74 0.00 0.00 39.64 39.75 1jdb n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jdb n GLY 21 N -0.03 5.41 3.59 3.28 0.00 -1.25 -4.46 105.19 111.73 1jdb n GLY 21 Ca 0.00 -1.24 -0.31 0.00 0.00 0.00 0.00 46.02 44.47 1jdb n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdb n ALA 22 N -3.00 -1.48 -2.74 4.61 0.00 0.27 -4.72 120.51 113.46 1jdb n ALA 22 Ca 0.00 -0.67 -0.37 0.00 0.00 0.00 0.00 53.44 52.41 1jdb n ALA 22 Cb 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 19.45 17.30 1jdb n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jdb s THR 23 N -2.56 5.32 -1.56 0.00 2.01 -1.26 -4.29 115.64 113.30 1jdb s THR 23 Ca 0.65 0.41 0.00 0.00 0.31 0.00 0.00 61.69 63.06 1jdb s THR 23 Cb -0.23 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 68.75 1jdb s THR 23 CO 0.61 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.71 1jdb n GLY 24 N 1.78 0.53 3.11 4.40 0.00 -0.45 -4.97 105.19 109.59 1jdb n GLY 24 Ca -0.17 -1.43 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 1jdb n GLY 24 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jdb s SER 25 N -4.00 1.19 0.01 1.61 0.01 -1.26 -0.63 113.70 110.63 1jdb s SER 25 Ca 0.00 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 56.67 1jdb s SER 25 Cb 0.00 0.01 -0.01 0.00 0.21 0.00 0.00 66.02 66.23 1jdb s SER 25 CO 0.00 -0.17 -0.06 0.00 0.41 0.00 0.00 173.24 173.42 1jdb s ALA 26 N -1.49 0.46 -0.02 1.44 0.00 0.13 -4.90 121.76 117.39 1jdb s ALA 26 Ca -0.05 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 1jdb s ALA 26 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.99 1jdb s ALA 26 CO 0.01 0.06 0.04 0.08 0.00 0.00 0.00 175.76 175.95 1jdb s VAL 27 N -0.50 -0.03 -1.00 0.00 1.01 -1.26 -0.65 120.40 117.96 1jdb s VAL 27 Ca -0.02 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1jdb s VAL 27 Cb -0.04 -0.08 0.00 0.00 0.00 0.00 0.00 36.38 36.26 1jdb s VAL 27 CO -0.00 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.76 1jdb n GLY 28 N 3.72 -1.23 3.66 4.51 0.00 -1.08 -4.76 105.19 110.01 1jdb n GLY 28 Ca -0.21 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.52 1jdb n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jdb s GLU 29 N -0.40 4.24 -0.03 1.61 2.12 -0.49 -1.00 118.70 124.75 1jdb s GLU 29 Ca 0.00 0.90 -0.28 0.00 0.36 0.00 0.00 54.97 55.95 1jdb s GLU 29 Cb 0.00 -3.60 -0.03 0.00 0.26 0.00 0.00 34.13 30.76 1jdb s GLU 29 CO 0.00 -0.37 0.91 0.08 -0.54 0.00 0.00 175.26 175.34 1jdb s VAL 30 N 2.31 4.91 0.20 3.70 1.01 0.42 0.05 120.40 133.01 1jdb s VAL 30 Ca 0.35 1.90 0.05 0.00 0.00 0.00 0.00 61.98 64.28 1jdb s VAL 30 Cb -0.16 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.93 1jdb s VAL 30 CO 0.10 0.17 -0.08 0.68 0.00 0.00 0.00 175.10 175.98 1jdb s VAL 31 N 1.03 1.34 0.02 2.92 -7.23 -0.84 -4.25 120.40 113.38 1jdb s VAL 31 Ca 0.48 -2.10 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 1jdb s VAL 31 Cb -0.20 -2.11 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 1jdb s VAL 31 CO 0.25 -0.54 -0.17 0.72 -0.31 0.00 0.00 175.10 175.05 1jdb s PHE 32 N -3.22 2.59 -0.06 2.82 -0.12 -1.26 0.37 117.98 119.09 1jdb s PHE 32 Ca 0.23 -0.24 0.02 0.00 -0.05 0.00 0.00 56.93 56.90 1jdb s PHE 32 Cb 0.03 -1.50 0.01 0.00 -0.63 0.00 0.00 43.02 40.92 1jdb s PHE 32 CO 0.06 0.23 -0.13 1.21 -0.05 0.00 0.00 175.22 176.54 1jdb s ASN 33 N -1.26 1.84 0.00 1.98 3.84 0.29 -4.52 114.94 117.11 1jdb s ASN 33 Ca 0.14 -0.31 0.26 0.00 0.21 0.00 0.00 52.86 53.16 1jdb s ASN 33 Cb -0.11 -0.83 0.73 0.00 -0.55 0.00 0.00 41.25 40.49 1jdb s ASN 33 CO 0.04 0.05 1.55 0.35 -2.79 0.00 0.00 177.10 176.30 1jdb n THR 34 N 3.75 0.00 -1.68 -5.21 -2.24 -0.76 -0.88 114.28 107.26 1jdb n THR 34 Ca -0.22 -0.16 -0.47 0.00 -2.27 0.00 0.00 64.05 60.93 1jdb n THR 34 Cb 0.52 0.50 -0.04 0.00 -2.10 0.00 0.00 70.33 69.21 1jdb n THR 34 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1jdb n SER 35 N -0.44 3.31 0.04 3.42 7.64 -1.26 -4.71 113.62 121.61 1jdb n SER 35 Ca 0.13 1.03 0.12 0.00 1.01 0.00 0.00 58.87 61.16 1jdb n SER 35 Cb 0.36 -1.42 0.23 0.00 -1.01 0.00 0.00 64.21 62.38 1jdb n SER 35 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1jdb n MET 36 N 4.84 0.18 -4.19 1.43 2.81 -1.26 -4.53 117.12 116.39 1jdb n MET 36 Ca 0.19 0.05 -0.11 0.00 -1.81 0.00 0.00 57.70 56.02 1jdb n MET 36 Cb 0.30 -1.61 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 1jdb n MET 36 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1jdb s THR 37 N -3.10 0.53 -0.18 2.03 -4.23 -1.26 -4.94 115.64 104.49 1jdb s THR 37 Ca 0.08 -1.94 -0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1jdb s THR 37 Cb 0.15 -1.94 0.00 0.00 1.34 0.00 0.00 72.50 72.05 1jdb s THR 37 CO 0.70 -0.62 0.04 0.61 -0.54 0.00 0.00 174.62 174.81 1jdb n GLY 38 N -0.13 0.43 0.29 3.99 0.00 -1.26 -4.86 105.19 103.65 1jdb n GLY 38 Ca -0.08 -0.73 0.16 0.00 0.00 0.00 0.00 46.02 45.37 1jdb n GLY 38 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1jdb h TYR 39 N -0.09 0.00 0.11 1.61 -0.00 -1.92 -0.35 116.97 116.34 1jdb h TYR 39 Ca -0.05 0.00 -0.27 0.00 0.00 0.00 0.00 58.73 58.40 1jdb h TYR 39 Cb 1.04 0.00 0.01 0.00 0.00 0.00 0.00 36.73 37.78 1jdb h TYR 39 CO 0.06 0.06 -1.19 0.37 -0.00 0.00 0.00 178.16 177.45 1jdb h GLN 40 N 0.00 0.38 -0.22 0.10 4.15 -1.92 -1.24 115.11 116.35 1jdb h GLN 40 Ca -0.00 -0.55 -0.11 0.00 0.77 0.00 0.00 58.65 58.76 1jdb h GLN 40 Cb 0.28 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 1jdb h GLN 40 CO 0.01 1.23 -0.32 0.93 -1.93 0.00 0.00 178.83 178.75 1jdb h GLU 41 N 0.14 0.44 0.09 1.69 5.08 -1.44 -0.98 114.58 119.60 1jdb h GLU 41 Ca -0.14 -0.19 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1jdb h GLU 41 Cb 1.89 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.12 1jdb h GLU 41 CO 0.21 0.71 -0.04 0.82 -1.00 0.00 0.00 179.01 179.71 1jdb h ILE 42 N 0.38 1.06 -0.25 3.13 2.04 -0.87 -3.00 117.51 120.01 1jdb h ILE 42 Ca 0.05 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.34 1jdb h ILE 42 Cb 0.75 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1jdb h ILE 42 CO 0.06 0.13 0.03 -0.07 0.00 0.00 0.00 178.15 178.30 1jdb h LEU 43 N -0.36 0.33 -1.26 1.44 3.38 -0.91 -2.58 115.31 115.35 1jdb h LEU 43 Ca -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1jdb h LEU 43 Cb 0.31 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jdb h LEU 43 CO 0.02 0.36 0.00 0.35 0.09 0.00 0.00 178.44 179.26 1jdb n THR 44 N -4.37 0.51 -3.03 0.22 -2.24 -0.40 -1.18 114.28 103.80 1jdb n THR 44 Ca 0.01 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 60.94 1jdb n THR 44 Cb 0.18 0.13 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 1jdb n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jdb s ASP 45 N -0.92 6.64 0.45 3.42 2.15 -0.97 -2.33 116.67 125.11 1jdb s ASP 45 Ca 0.21 0.73 0.21 0.00 0.43 0.00 0.00 52.55 54.13 1jdb s ASP 45 Cb 0.12 -2.37 1.19 0.00 -0.30 0.00 0.00 42.92 41.55 1jdb s ASP 45 CO 0.13 -0.47 1.87 -0.65 -0.17 0.00 0.00 175.17 175.89 1jdb h PRO 46 N 7.93 0.28 0.00 4.34 0.11 -1.87 -0.05 132.00 142.75 1jdb h PRO 46 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jdb h PRO 46 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1jdb h PRO 46 CO 0.82 0.19 0.21 0.77 -0.21 0.00 0.00 178.00 179.78 1jdb h SER 47 N 0.29 0.00 -0.02 -2.05 0.02 -1.84 0.14 113.55 110.09 1jdb h SER 47 Ca 0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.39 1jdb h SER 47 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1jdb h SER 47 CO -0.13 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.34 1jdb n TYR 48 N -2.41 0.02 -1.59 3.45 4.01 -0.03 -4.38 117.16 116.23 1jdb n TYR 48 Ca -0.01 -0.01 -0.50 0.00 -0.16 0.00 0.00 57.90 57.22 1jdb n TYR 48 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.23 1jdb n TYR 48 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jdb n SER 49 N -0.28 1.49 0.00 7.72 2.88 0.50 -1.26 113.62 124.67 1jdb n SER 49 Ca 0.20 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1jdb n SER 49 Cb 0.25 -1.21 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1jdb n SER 49 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jdb n ARG 50 N 2.05 -0.25 -4.68 -1.46 5.12 -1.26 -4.72 116.66 111.46 1jdb n ARG 50 Ca 0.16 0.06 -0.32 0.00 -1.93 0.00 0.00 57.85 55.82 1jdb n ARG 50 Cb 0.23 -3.74 -0.12 0.00 -1.16 0.00 0.00 32.46 27.67 1jdb n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1jdb s GLN 51 N -0.69 2.42 -0.51 5.56 -0.21 -0.39 -1.40 119.66 124.44 1jdb s GLN 51 Ca 0.00 -0.77 -0.19 0.00 0.02 0.00 0.00 55.36 54.42 1jdb s GLN 51 Cb 0.00 -2.38 0.06 0.00 1.00 0.00 0.00 33.01 31.69 1jdb s GLN 51 CO 0.00 0.60 0.64 0.42 -2.12 0.00 0.00 175.29 174.83 1jdb s ILE 52 N -0.87 4.85 -0.04 1.08 1.01 0.11 -2.45 121.20 124.88 1jdb s ILE 52 Ca 0.14 -0.44 -0.30 0.00 0.00 0.00 0.00 60.65 60.05 1jdb s ILE 52 Cb -0.11 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.01 1jdb s ILE 52 CO 0.04 -0.82 1.39 -0.69 0.00 0.00 0.00 174.94 174.86 1jdb s VAL 53 N 2.70 3.86 -0.17 2.92 1.01 -1.09 -1.99 120.40 127.64 1jdb s VAL 53 Ca 0.16 1.18 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 1jdb s VAL 53 Cb -0.19 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1jdb s VAL 53 CO 0.12 -0.03 -0.01 -0.89 0.00 0.00 0.00 175.10 174.29 1jdb s THR 54 N 2.76 4.08 -0.20 3.92 2.01 0.16 -1.27 115.64 127.09 1jdb s THR 54 Ca 0.63 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 62.27 1jdb s THR 54 Cb -0.29 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1jdb s THR 54 CO 0.24 0.48 0.04 -0.76 -0.69 0.00 0.00 174.62 173.93 1jdb s LEU 55 N 0.44 3.50 0.23 4.42 1.43 -1.10 0.11 118.68 127.70 1jdb s LEU 55 Ca -0.02 -0.10 0.07 0.00 -1.03 0.00 0.00 54.13 53.05 1jdb s LEU 55 Cb -0.14 -1.89 0.21 0.00 0.03 0.00 0.00 46.19 44.39 1jdb s LEU 55 CO 0.02 0.09 1.52 0.71 0.23 0.00 0.00 176.35 178.92 1jdb h THR 56 N 5.22 1.47 -2.82 5.49 1.35 -1.30 -3.43 112.91 118.89 1jdb h THR 56 Ca -0.36 -2.31 -0.56 0.00 -0.55 0.00 0.00 66.41 62.63 1jdb h THR 56 Cb 1.18 2.24 -0.03 0.00 -1.73 0.00 0.00 68.15 69.81 1jdb h THR 56 CO 0.63 0.67 1.04 -0.47 -0.25 0.00 0.00 175.52 177.14 1jdb s TYR 57 N -3.48 2.34 0.23 4.73 5.04 -1.26 -4.93 117.35 120.01 1jdb s TYR 57 Ca -0.02 0.62 -0.07 0.00 -2.44 0.00 0.00 57.07 55.17 1jdb s TYR 57 Cb 0.12 -3.84 0.38 0.00 0.35 0.00 0.00 41.96 38.97 1jdb s TYR 57 CO 0.79 -2.67 1.72 -1.00 -1.34 0.00 0.00 175.55 173.05 1jdb h PRO 58 N 9.66 0.35 -5.56 4.97 0.13 -1.94 -3.39 132.00 136.22 1jdb h PRO 58 Ca -0.32 -0.02 -0.62 0.00 -0.87 0.00 0.00 66.00 64.16 1jdb h PRO 58 Cb 1.14 -0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.05 1jdb h PRO 58 CO 0.99 0.23 0.54 -1.01 -0.23 0.00 0.00 178.00 178.52 1jdb s HIS 59 N -6.06 2.71 -0.17 1.56 3.76 -1.26 -0.25 115.29 115.59 1jdb s HIS 59 Ca -0.13 -0.38 -0.01 0.00 -0.15 0.00 0.00 55.06 54.39 1jdb s HIS 59 Cb 0.19 -4.20 -0.01 0.00 1.11 0.00 0.00 32.58 29.68 1jdb s HIS 59 CO 0.75 -1.55 -0.12 0.42 -0.85 0.00 0.00 174.74 173.40 1jdb s ILE 60 N 4.00 2.96 0.00 0.60 -1.09 0.69 -4.47 121.20 123.89 1jdb s ILE 60 Ca 0.24 -0.67 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1jdb s ILE 60 Cb -0.16 -2.27 0.00 0.00 -1.58 0.00 0.00 42.46 38.45 1jdb s ILE 60 CO 0.13 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.94 1jdb n GLY 61 N 4.10 1.20 0.44 6.18 0.00 -1.26 -4.02 105.19 111.83 1jdb n GLY 61 Ca -0.19 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.09 1jdb n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jdb h ASN 62 N 0.00 0.14 -0.53 1.61 2.35 -1.83 -0.74 115.58 116.57 1jdb h ASN 62 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1jdb h ASN 62 Cb 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1jdb h ASN 62 CO 0.00 0.05 0.00 1.33 -1.65 0.00 0.00 177.43 177.16 1jdb n VAL 63 N -4.36 1.25 -4.65 2.81 0.24 -1.26 -0.80 118.33 111.56 1jdb n VAL 63 Ca 0.19 -1.10 0.00 0.00 -2.04 0.00 0.00 64.34 61.39 1jdb n VAL 63 Cb 0.88 0.38 0.00 0.00 -1.47 0.00 0.00 33.84 33.63 1jdb n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jdb n GLY 64 N 0.94 1.62 3.31 7.63 0.00 -0.29 -4.10 105.19 114.32 1jdb n GLY 64 Ca 0.19 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 1jdb n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdb s THR 65 N 0.00 0.08 0.16 2.61 -4.23 -0.06 -4.76 115.64 109.44 1jdb s THR 65 Ca 0.00 -1.37 -0.23 0.00 -1.18 0.00 0.00 61.69 58.90 1jdb s THR 65 Cb 0.00 -1.78 0.07 0.00 1.34 0.00 0.00 72.50 72.13 1jdb s THR 65 CO 0.00 -0.35 0.65 0.54 -0.54 0.00 0.00 174.62 174.92 1jdb s ASN 66 N -2.96 -0.50 0.07 3.99 2.20 -1.26 0.83 114.94 117.32 1jdb s ASN 66 Ca 0.16 -0.10 -0.20 0.00 -0.94 0.00 0.00 52.86 51.78 1jdb s ASN 66 Cb 0.04 0.60 -0.10 0.00 -2.00 0.00 0.00 41.25 39.78 1jdb s ASN 66 CO -0.01 -0.99 1.50 0.44 -2.94 0.00 0.00 177.10 175.10 1jdb h ASP 67 N 2.00 0.35 0.00 3.54 5.19 -1.98 -3.13 116.42 122.38 1jdb h ASP 67 Ca -0.30 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 55.79 1jdb h ASP 67 Cb 1.29 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1jdb h ASP 67 CO 0.35 0.57 0.15 0.00 -3.12 0.00 0.00 179.24 177.20 1jdb h ALA 68 N 0.79 1.15 -0.55 3.45 0.00 -1.98 -0.23 119.26 121.88 1jdb h ALA 68 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1jdb h ALA 68 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1jdb h ALA 68 CO 0.01 -0.15 0.00 -0.25 0.00 0.00 0.00 179.25 178.86 1jdb n ASP 69 N -2.89 3.78 -4.72 0.00 8.00 -1.18 -4.85 116.55 114.69 1jdb n ASP 69 Ca -0.02 -2.27 -0.36 0.00 0.71 0.00 0.00 54.79 52.85 1jdb n ASP 69 Cb 0.21 -0.49 -0.08 0.00 -0.02 0.00 0.00 41.12 40.74 1jdb n ASP 69 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1jdb s GLU 70 N -1.63 4.20 0.15 -1.24 -1.05 -0.10 -3.13 118.70 115.90 1jdb s GLU 70 Ca 0.41 -0.11 0.14 0.00 -0.15 0.00 0.00 54.97 55.26 1jdb s GLU 70 Cb 0.25 -3.44 -0.08 0.00 -0.44 0.00 0.00 34.13 30.42 1jdb s GLU 70 CO 0.22 0.24 1.14 0.93 0.95 0.00 0.00 175.26 178.74 1jdb h GLU 71 N 6.81 0.00 0.00 -4.83 4.39 -1.83 -3.46 114.58 115.66 1jdb h GLU 71 Ca -0.40 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.16 1jdb h GLU 71 Cb 1.16 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1jdb h GLU 71 CO 0.74 0.52 -0.13 -1.13 -1.16 0.00 0.00 179.01 177.86 1jdb n SER 72 N -3.12 0.31 0.13 1.42 3.41 -0.99 -0.10 113.62 114.70 1jdb n SER 72 Ca -0.04 -1.60 0.01 0.00 -0.26 0.00 0.00 58.87 56.98 1jdb n SER 72 Cb 0.83 0.39 0.08 0.00 -0.26 0.00 0.00 64.21 65.25 1jdb n SER 72 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1jdb h SER 73 N 0.51 0.00 -4.60 4.04 4.64 -1.93 -3.47 113.55 112.75 1jdb h SER 73 Ca -0.07 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.79 1jdb h SER 73 Cb 0.33 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.29 1jdb h SER 73 CO 0.11 0.59 -0.54 0.00 -0.87 0.00 0.00 176.83 176.13 1jdb s GLN 74 N -3.11 1.70 -0.51 4.77 -2.07 -1.26 -5.10 119.66 114.08 1jdb s GLN 74 Ca 0.02 -1.99 -0.24 0.00 -1.82 0.00 0.00 55.36 51.33 1jdb s GLN 74 Cb 0.09 -0.13 0.04 0.00 -1.09 0.00 0.00 33.01 31.91 1jdb s GLN 74 CO 0.75 -0.49 0.89 0.08 -1.32 0.00 0.00 175.29 175.20 1jdb s VAL 75 N -3.49 4.48 -0.19 3.63 1.01 -1.26 -4.35 120.40 120.23 1jdb s VAL 75 Ca 0.34 0.39 0.16 0.00 0.00 0.00 0.00 61.98 62.88 1jdb s VAL 75 Cb 0.04 -4.46 0.07 0.00 0.00 0.00 0.00 36.38 32.03 1jdb s VAL 75 CO 0.19 -0.95 1.37 0.45 0.00 0.00 0.00 175.10 176.16 1jdb h HIS 76 N 9.17 0.00 -4.02 5.22 -0.00 -1.36 -3.46 115.15 120.70 1jdb h HIS 76 Ca -0.25 0.00 -0.55 0.00 -0.00 0.00 0.00 60.37 59.57 1jdb h HIS 76 Cb 1.08 0.00 0.13 0.00 -0.00 0.00 0.00 27.41 28.62 1jdb h HIS 76 CO 0.87 0.44 0.66 0.00 -0.00 0.00 0.00 177.93 179.90 1jdb n ALA 77 N -2.23 1.84 0.09 2.45 0.00 -1.13 -3.78 120.51 117.75 1jdb n ALA 77 Ca 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 1jdb n ALA 77 Cb 0.72 -2.38 -0.05 0.00 0.00 0.00 0.00 19.45 17.74 1jdb n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1jdb h GLN 78 N 1.84 0.00 -3.14 0.00 5.75 -1.66 -3.48 115.11 114.42 1jdb h GLN 78 Ca -0.51 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 57.98 1jdb h GLN 78 Cb 1.29 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 1jdb h GLN 78 CO 0.59 0.62 0.19 0.20 -2.65 0.00 0.00 178.83 177.78 1jdb s GLY 79 N -4.64 0.32 -0.18 2.39 0.00 -1.25 -4.45 107.32 99.50 1jdb s GLY 79 Ca 0.01 -0.67 -0.07 0.00 0.00 0.00 0.00 44.72 43.99 1jdb s GLY 79 CO 0.78 -0.32 0.40 -2.27 0.00 0.00 0.00 173.10 171.70 1jdb s LEU 80 N -3.03 -0.44 -0.13 0.66 2.96 -1.22 -2.67 118.68 114.81 1jdb s LEU 80 Ca 0.16 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1jdb s LEU 80 Cb -0.05 1.29 0.00 0.00 0.50 0.00 0.00 46.19 47.94 1jdb s LEU 80 CO 0.10 -0.22 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.02 1jdb s VAL 81 N 2.22 2.22 0.18 1.68 1.01 -0.40 0.10 120.40 127.42 1jdb s VAL 81 Ca -0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1jdb s VAL 81 Cb -0.11 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1jdb s VAL 81 CO -0.12 0.54 0.09 0.27 0.00 0.00 0.00 175.10 175.88 1jdb s ILE 82 N 0.68 0.15 -0.15 2.22 -4.36 -0.17 -2.72 121.20 116.85 1jdb s ILE 82 Ca -0.10 -1.97 -0.14 0.00 -0.26 0.00 0.00 60.65 58.19 1jdb s ILE 82 Cb -0.16 -2.33 -0.24 0.00 1.25 0.00 0.00 42.46 40.98 1jdb s ILE 82 CO 0.01 -0.20 0.35 -0.09 0.24 0.00 0.00 174.94 175.26 1jdb h ARG 83 N 2.69 0.17 -2.97 0.37 9.65 -1.79 -2.28 114.38 120.21 1jdb h ARG 83 Ca -0.36 -0.29 -0.19 0.00 -1.10 0.00 0.00 59.98 58.04 1jdb h ARG 83 Cb 1.23 0.11 -0.30 0.00 -1.39 0.00 0.00 29.97 29.62 1jdb h ARG 83 CO 0.57 1.14 -0.47 0.34 2.80 0.00 0.00 179.97 184.34 1jdb s ASP 84 N -6.98 -0.24 -0.28 -3.80 -1.08 0.65 -1.35 116.67 103.59 1jdb s ASP 84 Ca -0.24 0.57 -0.15 0.00 -0.52 0.00 0.00 52.55 52.21 1jdb s ASP 84 Cb 0.06 0.46 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1jdb s ASP 84 CO 0.71 -0.17 0.37 -0.22 0.52 0.00 0.00 175.17 176.37 1jdb s LEU 85 N 1.36 4.06 0.61 -1.34 2.96 -1.26 -0.22 118.68 124.85 1jdb s LEU 85 Ca -0.09 0.24 -0.18 0.00 -0.22 0.00 0.00 54.13 53.88 1jdb s LEU 85 Cb -0.10 -2.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.15 1jdb s LEU 85 CO -0.09 -0.19 1.21 -2.16 -1.32 0.00 0.00 176.35 173.80 1jdb s PRO 86 N 2.06 2.89 0.40 0.98 0.04 -1.26 -4.91 135.00 135.21 1jdb s PRO 86 Ca 0.15 1.82 0.11 0.00 0.04 0.00 0.00 61.00 63.11 1jdb s PRO 86 Cb -0.16 -1.92 0.92 0.00 0.04 0.00 0.00 34.50 33.38 1jdb s PRO 86 CO 0.10 -1.26 1.96 -0.07 0.04 0.00 0.00 177.00 177.77 1jdb h LEU 87 N 0.76 0.49 -8.27 -3.56 3.38 -1.97 -3.44 115.31 102.70 1jdb h LEU 87 Ca -0.50 0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 1jdb h LEU 87 Cb 1.30 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.81 1jdb h LEU 87 CO 0.55 0.29 -0.54 0.27 0.09 0.00 0.00 178.44 179.10 1jdb s ILE 88 N -5.51 0.11 -0.05 1.22 -4.36 -1.26 -5.14 121.20 106.21 1jdb s ILE 88 Ca -0.09 -1.71 -0.03 0.00 -0.26 0.00 0.00 60.65 58.56 1jdb s ILE 88 Cb 0.20 -1.88 -0.04 0.00 1.25 0.00 0.00 42.46 41.98 1jdb s ILE 88 CO 0.76 -0.49 0.14 0.00 0.24 0.00 0.00 174.94 175.59 1jdb s ALA 89 N -4.00 3.81 -0.37 2.27 0.00 -1.26 -4.67 121.76 117.54 1jdb s ALA 89 Ca 0.19 -0.75 0.02 0.00 0.00 0.00 0.00 51.96 51.42 1jdb s ALA 89 Cb 0.06 -1.81 0.15 0.00 0.00 0.00 0.00 23.12 21.52 1jdb s ALA 89 CO -0.01 0.69 0.31 0.45 0.00 0.00 0.00 175.76 177.20 1jdb s SER 90 N -1.56 1.89 -0.27 0.00 0.15 0.02 -4.88 113.70 109.05 1jdb s SER 90 Ca 0.22 -1.93 -0.25 0.00 0.70 0.00 0.00 55.95 54.69 1jdb s SER 90 Cb -0.12 0.13 0.09 0.00 -1.71 0.00 0.00 66.02 64.40 1jdb s SER 90 CO 0.12 -0.27 0.81 0.21 1.20 0.00 0.00 173.24 175.31 1jdb s ASN 91 N 1.19 -0.67 0.30 5.45 3.84 -1.26 -4.75 114.94 119.04 1jdb s ASN 91 Ca 0.18 1.28 0.20 0.00 0.21 0.00 0.00 52.86 54.73 1jdb s ASN 91 Cb -0.17 1.30 1.09 0.00 -0.55 0.00 0.00 41.25 42.91 1jdb s ASN 91 CO -0.02 -0.22 1.61 2.22 -2.79 0.00 0.00 177.10 177.90 1jdb n PHE 92 N 2.63 0.68 0.86 0.43 -1.74 -1.26 -1.88 117.46 117.18 1jdb n PHE 92 Ca -0.14 0.35 0.11 0.00 -0.56 0.00 0.00 57.45 57.22 1jdb n PHE 92 Cb 0.55 -1.06 0.09 0.00 1.52 0.00 0.00 39.48 40.59 1jdb n PHE 92 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 1jdb n ARG 93 N -2.20 0.09 -1.90 3.97 1.74 -1.26 -4.95 116.66 112.14 1jdb n ARG 93 Ca -0.01 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.67 1jdb n ARG 93 Cb 0.04 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 29.96 1jdb n ARG 93 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1jdb s ASN 94 N -3.30 6.00 0.00 0.55 2.47 -0.79 -4.54 114.94 115.34 1jdb s ASN 94 Ca 0.08 2.80 0.00 0.00 0.42 0.00 0.00 52.86 56.16 1jdb s ASN 94 Cb 0.16 -2.65 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1jdb s ASN 94 CO 0.77 -1.08 0.00 0.35 -3.72 0.00 0.00 177.10 173.42 1jdb n THR 95 N -0.14 0.00 -3.64 -5.21 -2.24 0.24 -4.92 114.28 98.37 1jdb n THR 95 Ca 0.05 -0.23 -0.05 0.00 -2.27 0.00 0.00 64.05 61.55 1jdb n THR 95 Cb 0.43 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.42 1jdb n THR 95 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1jdb s GLU 96 N -0.75 0.38 1.25 -0.78 2.12 -1.17 -4.98 118.70 114.77 1jdb s GLU 96 Ca 0.00 0.55 -0.15 0.00 0.36 0.00 0.00 54.97 55.73 1jdb s GLU 96 Cb 0.00 0.14 0.32 0.00 0.26 0.00 0.00 34.13 34.84 1jdb s GLU 96 CO 0.00 -0.06 0.99 0.16 -0.54 0.00 0.00 175.26 175.81 1jdb s ASP 97 N 0.75 0.29 0.04 -1.70 -4.77 -1.26 -0.88 116.67 109.14 1jdb s ASP 97 Ca -0.02 1.38 -0.17 0.00 -3.30 0.00 0.00 52.55 50.44 1jdb s ASP 97 Cb -0.04 -2.12 -0.23 0.00 -1.09 0.00 0.00 42.92 39.44 1jdb s ASP 97 CO -0.11 -4.61 1.15 0.25 0.70 0.00 0.00 175.17 172.55 1jdb h LEU 98 N -2.90 0.69 -0.69 2.11 5.85 -1.86 -2.53 115.31 115.99 1jdb h LEU 98 Ca -0.60 -0.74 0.01 0.00 0.84 0.00 0.00 57.88 57.40 1jdb h LEU 98 Cb 1.34 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.12 1jdb h LEU 98 CO 0.46 1.34 0.45 -1.28 -0.34 0.00 0.00 178.44 179.07 1jdb h SER 99 N 0.12 0.77 0.12 1.25 0.87 -1.94 -0.74 113.55 113.99 1jdb h SER 99 Ca -0.09 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1jdb h SER 99 Cb 1.44 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1jdb h SER 99 CO 0.15 0.55 -0.07 0.28 -0.53 0.00 0.00 176.83 177.20 1jdb h SER 100 N 0.91 -0.18 -0.96 6.23 0.02 -1.85 -0.71 113.55 117.00 1jdb h SER 100 Ca 0.26 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 1jdb h SER 100 Cb -0.07 0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1jdb h SER 100 CO -0.07 -0.12 0.63 0.22 -1.14 0.00 0.00 176.83 176.35 1jdb h TYR 101 N -0.19 1.18 -0.47 3.45 3.20 -1.19 -1.15 116.97 121.81 1jdb h TYR 101 Ca -0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.90 1jdb h TYR 101 Cb 0.16 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.01 1jdb h TYR 101 CO -0.08 0.69 0.29 -0.07 -1.64 0.00 0.00 178.16 177.35 1jdb h LEU 102 N 1.22 0.49 -0.41 2.82 3.38 -0.53 -1.54 115.31 120.74 1jdb h LEU 102 Ca 0.38 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.30 1jdb h LEU 102 Cb -0.01 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1jdb h LEU 102 CO -0.11 0.35 0.08 0.11 0.09 0.00 0.00 178.44 178.96 1jdb h LYS 103 N 0.59 0.67 -0.30 1.13 1.57 -0.75 0.39 116.57 119.87 1jdb h LYS 103 Ca 0.18 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1jdb h LYS 103 Cb -0.02 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1jdb h LYS 103 CO -0.06 0.71 0.21 -0.09 -0.57 0.00 0.00 179.45 179.65 1jdb h ARG 104 N 0.53 0.08 -0.02 3.15 2.43 -0.75 0.52 114.38 120.32 1jdb h ARG 104 Ca 0.13 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1jdb h ARG 104 Cb 0.35 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1jdb h ARG 104 CO 0.01 0.06 -0.15 0.72 -1.51 0.00 0.00 179.97 179.09 1jdb n HIS 105 N -4.47 0.00 -3.25 2.20 8.25 -0.62 -4.96 115.22 112.38 1jdb n HIS 105 Ca 0.04 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.33 1jdb n HIS 105 Cb 0.32 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.48 1jdb n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jdb n ASN 106 N 0.81 -5.08 -4.64 0.41 3.02 0.17 -4.94 115.26 105.01 1jdb n ASN 106 Ca 0.13 -0.37 -0.39 0.00 -0.03 0.00 0.00 54.58 53.92 1jdb n ASN 106 Cb 0.54 -3.69 -0.08 0.00 -0.61 0.00 0.00 39.78 35.95 1jdb n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1jdb s ILE 107 N -3.21 5.13 0.23 2.41 -1.09 0.12 -4.72 121.20 120.06 1jdb s ILE 107 Ca 0.40 0.78 -0.30 0.00 -2.23 0.00 0.00 60.65 59.31 1jdb s ILE 107 Cb -0.18 -3.78 -0.09 0.00 -1.58 0.00 0.00 42.46 36.84 1jdb s ILE 107 CO 0.50 0.16 1.23 -0.69 -1.23 0.00 0.00 174.94 174.91 1jdb s VAL 108 N 1.89 3.32 -0.02 2.92 1.01 -1.26 0.94 120.40 129.20 1jdb s VAL 108 Ca 0.20 1.16 -0.07 0.00 0.00 0.00 0.00 61.98 63.28 1jdb s VAL 108 Cb -0.15 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1jdb s VAL 108 CO 0.09 0.21 0.15 0.00 0.00 0.00 0.00 175.10 175.55 1jdb s ALA 109 N -0.34 -0.35 0.03 5.51 0.00 -1.26 -3.41 121.76 121.94 1jdb s ALA 109 Ca 0.52 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.63 1jdb s ALA 109 Cb -0.35 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 1jdb s ALA 109 CO 0.40 -0.16 -0.16 -1.50 0.00 0.00 0.00 175.76 174.34 1jdb s ILE 110 N -0.82 1.26 0.17 0.00 2.07 0.28 -2.68 121.20 121.48 1jdb s ILE 110 Ca -0.09 -0.98 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 1jdb s ILE 110 Cb -0.05 -1.11 -0.05 0.00 0.13 0.00 0.00 42.46 41.38 1jdb s ILE 110 CO 0.01 0.12 0.02 0.00 -1.91 0.00 0.00 174.94 173.17 1jdb s ALA 111 N -0.74 1.27 -0.41 1.50 0.00 0.28 -0.99 121.76 122.66 1jdb s ALA 111 Ca 0.04 -1.58 -0.02 0.00 0.00 0.00 0.00 51.96 50.39 1jdb s ALA 111 Cb -0.08 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1jdb s ALA 111 CO 0.01 -0.36 0.35 -0.25 0.00 0.00 0.00 175.76 175.51 1jdb n ASP 112 N -0.22 -3.22 -4.42 0.00 8.00 -0.46 -0.75 116.55 115.48 1jdb n ASP 112 Ca -0.06 -0.17 -0.24 0.00 0.71 0.00 0.00 54.79 55.04 1jdb n ASP 112 Cb 0.63 -1.88 -0.11 0.00 -0.02 0.00 0.00 41.12 39.75 1jdb n ASP 112 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 1jdb s ILE 113 N -3.10 2.24 -1.08 0.53 -4.36 -1.20 -4.60 121.20 109.64 1jdb s ILE 113 Ca 0.16 -2.22 -0.24 0.00 -0.26 0.00 0.00 60.65 58.10 1jdb s ILE 113 Cb -0.07 -2.15 -0.13 0.00 1.25 0.00 0.00 42.46 41.35 1jdb s ILE 113 CO 0.22 -0.35 1.95 -0.67 0.24 0.00 0.00 174.94 176.34 1jdb n ASP 114 N -0.24 2.65 0.27 4.36 -0.08 -1.26 -4.49 116.55 117.76 1jdb n ASP 114 Ca -0.08 -2.65 0.17 0.00 -1.51 0.00 0.00 54.79 50.71 1jdb n ASP 114 Cb 0.59 -1.63 0.91 0.00 2.34 0.00 0.00 41.12 43.33 1jdb n ASP 114 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 1jdb h THR 115 N 6.02 0.00 0.05 5.18 1.35 -1.93 -2.80 112.91 120.78 1jdb h THR 115 Ca 0.21 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1jdb h THR 115 Cb 0.91 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1jdb h THR 115 CO 1.30 0.00 -0.03 -0.09 -0.25 0.00 0.00 175.52 176.45 1jdb h ARG 116 N 0.00 -0.07 -1.00 4.72 2.43 -1.92 -2.04 114.38 116.51 1jdb h ARG 116 Ca 0.00 0.00 0.22 0.00 -0.81 0.00 0.00 59.98 59.39 1jdb h ARG 116 Cb 0.14 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 29.60 1jdb h ARG 116 CO 0.00 0.48 0.62 -0.22 -1.51 0.00 0.00 179.97 179.33 1jdb h LYS 117 N -0.94 0.60 -0.19 0.20 3.64 -1.90 0.28 116.57 118.25 1jdb h LYS 117 Ca -0.01 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1jdb h LYS 117 Cb 0.57 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 1jdb h LYS 117 CO 0.01 0.40 -0.01 1.25 -2.27 0.00 0.00 179.45 178.83 1jdb h LEU 118 N 0.62 0.35 -0.81 5.20 5.85 -1.54 -2.12 115.31 122.85 1jdb h LEU 118 Ca 0.59 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 59.03 1jdb h LEU 118 Cb 1.11 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 1jdb h LEU 118 CO -0.37 0.59 0.51 0.74 -0.34 0.00 0.00 178.44 179.57 1jdb h THR 119 N 0.10 1.10 -0.38 1.05 2.02 0.02 -1.98 112.91 114.83 1jdb h THR 119 Ca 0.05 -0.34 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 1jdb h THR 119 Cb 0.41 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 1jdb h THR 119 CO 0.01 0.18 -0.07 0.03 0.37 0.00 0.00 175.52 176.04 1jdb h ARG 120 N 0.98 0.65 0.11 6.66 3.08 -0.45 -0.84 114.38 124.57 1jdb h ARG 120 Ca 0.33 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.19 1jdb h ARG 120 Cb 0.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1jdb h ARG 120 CO -0.13 0.72 -0.05 1.25 -1.07 0.00 0.00 179.97 180.68 1jdb h LEU 121 N 0.60 -0.13 -1.30 3.04 5.85 -0.69 -1.95 115.31 120.74 1jdb h LEU 121 Ca 0.11 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1jdb h LEU 121 Cb 0.49 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1jdb h LEU 121 CO 0.03 0.04 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.82 1jdb h LEU 122 N -0.29 0.11 0.43 2.25 3.38 -1.31 0.76 115.31 120.65 1jdb h LEU 122 Ca -0.02 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1jdb h LEU 122 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1jdb h LEU 122 CO 0.03 0.39 -0.21 -0.09 0.09 0.00 0.00 178.44 178.65 1jdb h ARG 123 N 0.11 -0.55 -0.19 1.13 2.43 -0.95 0.44 114.38 116.79 1jdb h ARG 123 Ca 0.02 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 1jdb h ARG 123 Cb 0.55 0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1jdb h ARG 123 CO 0.04 -0.25 -0.19 0.93 -1.51 0.00 0.00 179.97 179.00 1jdb h GLU 124 N -0.94 0.46 0.00 0.20 4.39 -1.28 -3.29 114.58 114.13 1jdb h GLU 124 Ca -0.06 -0.24 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1jdb h GLU 124 Cb 0.56 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 1jdb h GLU 124 CO 0.10 0.82 -1.09 1.63 -1.16 0.00 0.00 179.01 179.31 1jdb n LYS 125 N -4.47 0.57 0.00 2.33 5.02 0.26 -5.09 118.16 116.79 1jdb n LYS 125 Ca -0.05 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 1jdb n LYS 125 Cb 0.40 -1.77 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 1jdb n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jdb n GLY 126 N 1.21 -1.11 3.60 0.72 0.00 0.15 -4.93 105.19 104.84 1jdb n GLY 126 Ca -0.00 -1.63 -0.52 0.00 0.00 0.00 0.00 46.02 43.87 1jdb n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdb n ALA 127 N -1.30 -0.81 -2.45 4.61 0.00 0.23 -4.52 120.51 116.28 1jdb n ALA 127 Ca 0.00 0.51 -0.22 0.00 0.00 0.00 0.00 53.44 53.73 1jdb n ALA 127 Cb 0.00 -2.10 -0.11 0.00 0.00 0.00 0.00 19.45 17.24 1jdb n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jdb s GLN 128 N 0.57 1.31 -0.09 0.00 -0.21 -1.26 -5.03 119.66 114.95 1jdb s GLN 128 Ca 0.84 -1.44 -0.06 0.00 0.02 0.00 0.00 55.36 54.73 1jdb s GLN 128 Cb -0.94 -1.37 -0.04 0.00 1.00 0.00 0.00 33.01 31.66 1jdb s GLN 128 CO 0.47 0.28 0.16 -0.80 -2.12 0.00 0.00 175.29 173.27 1jdb s ASN 129 N -2.72 6.40 0.33 5.90 0.01 -1.26 -0.43 114.94 123.16 1jdb s ASN 129 Ca 0.17 0.45 -0.07 0.00 -0.71 0.00 0.00 52.86 52.70 1jdb s ASN 129 Cb -0.06 -2.06 0.01 0.00 0.41 0.00 0.00 41.25 39.56 1jdb s ASN 129 CO 0.07 0.37 0.53 -0.83 -1.51 0.00 0.00 177.10 175.73 1jdb s GLY 130 N -1.27 1.10 -0.03 0.66 0.00 -0.17 0.47 107.32 108.07 1jdb s GLY 130 Ca 0.19 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.63 1jdb s GLY 130 CO 0.08 -0.80 0.08 0.00 0.00 0.00 0.00 173.10 172.45 1jdb s ILE 132 N 0.11 4.50 -0.26 0.00 1.01 0.18 -1.26 121.20 125.49 1jdb s ILE 132 Ca -0.01 -0.14 0.01 0.00 0.00 0.00 0.00 60.65 60.52 1jdb s ILE 132 Cb -0.01 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.49 1jdb s ILE 132 CO -0.00 0.47 -0.09 -0.63 0.00 0.00 0.00 174.94 174.69 1jdb s ILE 133 N 0.41 2.42 -0.25 2.92 1.01 0.15 0.22 121.20 128.07 1jdb s ILE 133 Ca 0.01 -1.46 -0.09 0.00 0.00 0.00 0.00 60.65 59.11 1jdb s ILE 133 Cb -0.13 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.94 1jdb s ILE 133 CO 0.01 0.02 0.13 0.00 0.00 0.00 0.00 174.94 175.10 1jdb s ALA 134 N 1.17 3.39 0.00 9.38 0.00 0.20 -0.94 121.76 134.96 1jdb s ALA 134 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1jdb s ALA 134 Cb -0.19 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.69 1jdb s ALA 134 CO -0.05 -0.39 0.00 0.41 0.00 0.00 0.00 175.76 175.73 1jdb n GLY 135 N 4.72 -1.35 0.16 0.00 0.00 -0.79 -1.35 105.19 106.58 1jdb n GLY 135 Ca -0.15 -0.98 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 1jdb n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1jdb h ASP 136 N 0.00 0.45 -1.69 1.61 3.32 -1.95 -3.24 116.42 114.91 1jdb h ASP 136 Ca 0.00 -0.34 -0.48 0.00 0.02 0.00 0.00 57.03 56.22 1jdb h ASP 136 Cb 0.00 -0.12 -0.36 0.00 0.22 0.00 0.00 39.33 39.07 1jdb h ASP 136 CO 0.00 0.69 -1.04 0.59 -1.72 0.00 0.00 179.24 177.76 1jdb n ASN 137 N -4.59 -0.07 -4.64 6.45 4.13 -1.26 -4.77 115.26 110.50 1jdb n ASN 137 Ca -0.04 -2.90 -0.46 0.00 1.68 0.00 0.00 54.58 52.86 1jdb n ASN 137 Cb 0.27 -0.25 -0.03 0.00 -1.54 0.00 0.00 39.78 38.24 1jdb n ASN 137 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1jdb n PRO 138 N 1.03 1.75 -3.27 3.52 -0.02 -1.26 -4.93 135.00 131.83 1jdb n PRO 138 Ca 0.20 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.87 1jdb n PRO 138 Cb 0.59 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.77 1jdb n PRO 138 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1jdb s ASP 139 N 0.17 6.22 0.10 2.55 -1.08 -1.26 -4.98 116.67 118.39 1jdb s ASP 139 Ca 0.69 -0.65 -0.34 0.00 -0.52 0.00 0.00 52.55 51.73 1jdb s ASP 139 Cb -0.71 -2.25 -0.14 0.00 -1.46 0.00 0.00 42.92 38.36 1jdb s ASP 139 CO 0.51 -0.65 1.56 0.00 0.52 0.00 0.00 175.17 177.12 1jdb h ALA 140 N 8.78 -0.99 -1.02 3.66 0.00 -2.00 -1.84 119.26 125.85 1jdb h ALA 140 Ca -0.26 -0.12 0.25 0.00 0.00 0.00 0.00 54.91 54.78 1jdb h ALA 140 Cb 1.11 0.84 -0.09 0.00 0.00 0.00 0.00 17.79 19.65 1jdb h ALA 140 CO 0.83 -1.12 0.65 0.00 0.00 0.00 0.00 179.25 179.61 1jdb h ALA 141 N -0.55 2.15 0.00 0.00 0.00 -1.99 0.05 119.26 118.92 1jdb h ALA 141 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1jdb h ALA 141 Cb 0.78 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jdb h ALA 141 CO -0.24 -0.54 -0.00 1.25 0.00 0.00 0.00 179.25 179.72 1jdb h LEU 142 N 0.44 -0.00 -0.97 0.00 6.46 -1.79 -2.06 115.31 117.40 1jdb h LEU 142 Ca 0.58 -0.40 0.01 0.00 -0.12 0.00 0.00 57.88 57.95 1jdb h LEU 142 Cb 1.39 0.00 -0.05 0.00 -0.73 0.00 0.00 40.66 41.27 1jdb h LEU 142 CO -0.30 0.40 0.64 0.00 -0.62 0.00 0.00 178.44 178.56 1jdb h ALA 143 N 0.59 1.22 -0.70 1.25 0.00 -0.49 -0.21 119.26 120.91 1jdb h ALA 143 Ca -0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jdb h ALA 143 Cb 0.41 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1jdb h ALA 143 CO 0.00 0.62 0.42 1.25 0.00 0.00 0.00 179.25 181.54 1jdb h LEU 144 N 1.31 0.84 -0.35 0.00 5.85 -1.04 0.29 115.31 122.21 1jdb h LEU 144 Ca 0.35 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 1jdb h LEU 144 Cb -0.15 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.65 1jdb h LEU 144 CO -0.08 0.66 0.18 -0.08 -0.34 0.00 0.00 178.44 178.78 1jdb h GLU 145 N 0.96 0.50 -0.36 1.25 4.81 -0.78 -0.51 114.58 120.44 1jdb h GLU 145 Ca 0.25 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1jdb h GLU 145 Cb -0.03 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1jdb h GLU 145 CO -0.05 0.44 -0.08 0.87 -0.73 0.00 0.00 179.01 179.47 1jdb h LYS 146 N 0.44 0.61 0.22 1.92 1.57 -0.58 -0.29 116.57 120.46 1jdb h LYS 146 Ca 0.12 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1jdb h LYS 146 Cb 0.10 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1jdb h LYS 146 CO -0.02 0.69 -0.10 0.00 -0.57 0.00 0.00 179.45 179.45 1jdb h ALA 147 N 1.35 -0.29 -0.25 3.86 0.00 -0.10 -2.34 119.26 121.50 1jdb h ALA 147 Ca 0.11 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1jdb h ALA 147 Cb 0.48 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jdb h ALA 147 CO 0.03 -0.62 -0.21 0.00 0.00 0.00 0.00 179.25 178.45 1jdb h ARG 148 N -0.38 0.45 -0.16 0.00 3.08 -0.93 -3.05 114.38 113.39 1jdb h ARG 148 Ca -0.03 -0.15 -0.08 0.00 0.07 0.00 0.00 59.98 59.79 1jdb h ARG 148 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1jdb h ARG 148 CO 0.05 0.64 -0.25 0.00 -1.07 0.00 0.00 179.97 179.34 1jdb h ALA 149 N 1.38 1.29 -1.99 0.04 0.00 -0.93 -3.44 119.26 115.61 1jdb h ALA 149 Ca 0.07 -0.30 -0.63 0.00 0.00 0.00 0.00 54.91 54.04 1jdb h ALA 149 Cb 0.60 -0.10 0.05 0.00 0.00 0.00 0.00 17.79 18.34 1jdb h ALA 149 CO 0.04 0.48 0.72 0.34 0.00 0.00 0.00 179.25 180.83 1jdb n PHE 150 N -4.16 2.00 -0.09 0.00 7.35 -0.89 -4.88 117.46 116.78 1jdb n PHE 150 Ca -0.01 0.39 -0.06 0.00 -0.76 0.00 0.00 57.45 57.00 1jdb n PHE 150 Cb 0.37 -2.48 0.01 0.00 0.35 0.00 0.00 39.48 37.73 1jdb n PHE 150 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 1jdb h PRO 151 N 5.91 0.21 0.00 -7.13 0.13 -1.90 -3.50 132.00 125.73 1jdb h PRO 151 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1jdb h PRO 151 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jdb h PRO 151 CO 0.86 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 1jdb n GLY 152 N -1.22 2.73 0.26 1.56 0.00 -1.26 -4.86 105.19 102.40 1jdb n GLY 152 Ca 0.01 -1.86 0.15 0.00 0.00 0.00 0.00 46.02 44.32 1jdb n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jdb h LEU 153 N 0.00 0.00 -9.29 0.99 4.07 -1.95 -3.43 115.31 105.70 1jdb h LEU 153 Ca 0.00 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 57.42 1jdb h LEU 153 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1jdb h LEU 153 CO 0.00 0.02 1.17 0.21 -1.08 0.00 0.00 178.44 178.76 1jdb s ASN 154 N -5.88 6.51 0.00 -0.43 3.04 -1.26 -1.72 114.94 115.21 1jdb s ASN 154 Ca 0.03 2.41 0.00 0.00 0.04 0.00 0.00 52.86 55.34 1jdb s ASN 154 Cb 0.08 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.26 1jdb s ASN 154 CO 0.59 -1.03 0.00 0.61 -3.04 0.00 0.00 177.10 174.22 1jdb n GLY 155 N 4.40 0.54 3.37 1.21 0.00 -1.26 -5.03 105.19 108.42 1jdb n GLY 155 Ca 0.19 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1jdb n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1jdb s MET 156 N -0.44 2.80 -0.52 1.61 0.00 -0.70 -4.85 119.30 117.21 1jdb s MET 156 Ca 0.00 -1.14 -0.28 0.00 0.00 0.00 0.00 55.69 54.27 1jdb s MET 156 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 34.83 31.06 1jdb s MET 156 CO 0.00 -0.75 1.54 0.34 0.00 0.00 0.00 175.02 176.15 1jdb s ASP 157 N 1.67 5.99 -0.01 1.11 -1.08 -1.26 -2.03 116.67 121.05 1jdb s ASP 157 Ca 0.02 0.51 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 1jdb s ASP 157 Cb -0.20 -2.54 -0.23 0.00 -1.46 0.00 0.00 42.92 38.49 1jdb s ASP 157 CO 0.06 -1.78 0.52 0.18 0.52 0.00 0.00 175.17 174.68 1jdb n LEU 158 N 10.07 0.33 0.16 -1.34 4.77 -1.26 -4.47 117.00 125.27 1jdb n LEU 158 Ca 0.16 -0.21 0.03 0.00 -0.03 0.00 0.00 56.01 55.96 1jdb n LEU 158 Cb 0.49 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.01 1jdb n LEU 158 CO 0.71 0.08 0.89 0.00 -1.33 0.00 0.00 177.39 177.74 1jdb h ALA 159 N 1.93 1.57 0.00 -1.18 0.00 -1.79 -1.27 119.26 118.53 1jdb h ALA 159 Ca 0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 1jdb h ALA 159 Cb 0.63 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1jdb h ALA 159 CO 0.00 0.31 -0.42 1.57 0.00 0.00 0.00 179.25 180.71 1jdb h LYS 160 N 0.13 0.00 0.00 0.00 2.10 -1.88 -2.50 116.57 114.43 1jdb h LYS 160 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 1jdb h LYS 160 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 1jdb h LYS 160 CO 0.02 0.42 0.00 0.93 -2.00 0.00 0.00 179.45 178.82 1jdb h GLU 161 N 0.00 0.00 0.00 0.07 4.39 -1.46 -3.31 114.58 114.27 1jdb h GLU 161 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1jdb h GLU 161 Cb 1.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1jdb h GLU 161 CO 0.05 0.00 0.00 1.33 -1.16 0.00 0.00 179.01 179.23 1jdb n VAL 162 N -2.95 0.06 -1.34 3.13 0.24 -1.14 -5.09 118.33 111.24 1jdb n VAL 162 Ca 0.01 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.34 61.71 1jdb n VAL 162 Cb 0.31 1.37 0.20 0.00 -1.47 0.00 0.00 33.84 34.25 1jdb n VAL 162 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1jdb s THR 163 N -0.06 1.83 0.49 3.34 -1.32 -0.95 -4.64 115.64 114.34 1jdb s THR 163 Ca 0.00 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.32 1jdb s THR 163 Cb 0.00 -2.63 -0.08 0.00 -1.51 0.00 0.00 72.50 68.28 1jdb s THR 163 CO 0.00 0.00 0.95 0.28 -2.21 0.00 0.00 174.62 173.64 1jdb s THR 164 N -3.21 4.57 0.07 5.08 -1.32 -1.26 -4.96 115.64 114.61 1jdb s THR 164 Ca 0.69 1.13 0.02 0.00 -1.21 0.00 0.00 61.69 62.32 1jdb s THR 164 Cb -0.11 -3.71 -0.25 0.00 -1.51 0.00 0.00 72.50 66.91 1jdb s THR 164 CO 0.55 -0.64 1.09 0.00 -2.21 0.00 0.00 174.62 173.41 1jdb h ALA 165 N 1.04 0.29 -2.27 11.08 0.00 -1.98 -3.40 119.26 124.01 1jdb h ALA 165 Ca -0.47 -1.00 -0.25 0.00 0.00 0.00 0.00 54.91 53.19 1jdb h ALA 165 Cb 1.18 0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 1jdb h ALA 165 CO 0.62 1.17 -0.68 -1.21 0.00 0.00 0.00 179.25 179.16 1jdb s GLU 166 N -2.66 0.98 0.18 0.00 2.02 -1.26 -4.93 118.70 113.02 1jdb s GLU 166 Ca -0.03 -1.44 -0.27 0.00 0.02 0.00 0.00 54.97 53.25 1jdb s GLU 166 Cb 0.08 -0.20 -0.08 0.00 0.10 0.00 0.00 34.13 34.04 1jdb s GLU 166 CO 0.85 -0.09 0.83 0.00 0.02 0.00 0.00 175.26 176.86 1jdb s ALA 167 N -3.68 3.41 0.17 5.21 0.00 -1.26 -4.67 121.76 120.94 1jdb s ALA 167 Ca 0.19 0.43 0.07 0.00 0.00 0.00 0.00 51.96 52.65 1jdb s ALA 167 Cb 0.06 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.10 1jdb s ALA 167 CO 0.00 0.25 -0.14 1.52 0.00 0.00 0.00 175.76 177.39 1jdb s TYR 168 N -1.05 1.55 0.09 0.00 1.13 -0.47 -4.95 117.35 113.64 1jdb s TYR 168 Ca 0.38 -0.60 -0.12 0.00 -1.41 0.00 0.00 57.07 55.31 1jdb s TYR 168 Cb -0.24 -0.76 -0.06 0.00 -1.10 0.00 0.00 41.96 39.80 1jdb s TYR 168 CO 0.28 0.25 0.45 0.45 -2.51 0.00 0.00 175.55 174.47 1jdb s SER 169 N -3.02 6.74 -0.07 -0.18 0.15 -1.26 0.13 113.70 116.19 1jdb s SER 169 Ca 0.17 0.93 0.01 0.00 0.70 0.00 0.00 55.95 57.76 1jdb s SER 169 Cb -0.01 -2.23 0.02 0.00 -1.71 0.00 0.00 66.02 62.09 1jdb s SER 169 CO 0.05 0.18 -0.07 0.86 1.20 0.00 0.00 173.24 175.45 1jdb s TRP 170 N -1.36 1.13 0.00 3.44 -0.11 -0.75 -4.90 118.94 116.39 1jdb s TRP 170 Ca 0.33 -0.43 0.00 0.00 1.22 0.00 0.00 56.10 57.22 1jdb s TRP 170 Cb -0.15 -0.94 0.00 0.00 -1.50 0.00 0.00 33.47 30.88 1jdb s TRP 170 CO 0.18 -0.31 0.92 0.25 -4.62 0.00 0.00 176.95 173.36 1jdb n THR 171 N 4.33 0.00 -3.44 5.86 -2.24 -1.26 -1.43 114.28 116.10 1jdb n THR 171 Ca -0.19 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.21 1jdb n THR 171 Cb 0.51 0.47 -0.08 0.00 -2.10 0.00 0.00 70.33 69.13 1jdb n THR 171 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1jdb s GLN 172 N 0.00 4.18 0.69 -0.78 0.74 -1.26 -0.72 119.66 122.50 1jdb s GLN 172 Ca 0.00 0.13 -0.12 0.00 0.05 0.00 0.00 55.36 55.43 1jdb s GLN 172 Cb 0.00 -3.52 0.17 0.00 1.10 0.00 0.00 33.01 30.76 1jdb s GLN 172 CO 0.00 0.01 0.72 0.41 -0.55 0.00 0.00 175.29 175.88 1jdb n GLY 173 N 3.89 -2.14 3.87 2.59 0.00 -1.26 -3.92 105.19 108.22 1jdb n GLY 173 Ca -0.10 -1.56 -0.30 0.00 0.00 0.00 0.00 46.02 44.06 1jdb n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jdb s SER 174 N -3.56 6.50 0.77 1.61 0.01 -1.25 -4.61 113.70 113.16 1jdb s SER 174 Ca 0.44 1.19 -0.11 0.00 1.31 0.00 0.00 55.95 58.79 1jdb s SER 174 Cb -0.03 -2.35 0.06 0.00 0.21 0.00 0.00 66.02 63.90 1jdb s SER 174 CO 0.33 -0.47 1.09 0.86 0.41 0.00 0.00 173.24 175.46 1jdb s TRP 175 N -2.48 2.56 0.05 2.43 -0.00 -1.26 -4.39 118.94 115.84 1jdb s TRP 175 Ca 0.52 1.56 0.00 0.00 -0.00 0.00 0.00 56.10 58.18 1jdb s TRP 175 Cb -0.10 -3.06 -0.03 0.00 -0.00 0.00 0.00 33.47 30.28 1jdb s TRP 175 CO 0.34 -1.81 -0.04 0.95 -0.00 0.00 0.00 176.95 176.38 1jdb s THR 176 N -2.87 0.29 0.03 5.86 -4.23 -1.06 -4.94 115.64 108.72 1jdb s THR 176 Ca 0.62 -1.45 -0.24 0.00 -1.18 0.00 0.00 61.69 59.44 1jdb s THR 176 Cb -0.17 -1.02 -0.17 0.00 1.34 0.00 0.00 72.50 72.47 1jdb s THR 176 CO 0.55 -0.74 1.46 0.25 -0.54 0.00 0.00 174.62 175.60 1jdb h LEU 177 N 3.77 0.07 -0.14 4.79 5.85 -1.97 0.46 115.31 128.13 1jdb h LEU 177 Ca -0.34 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.06 1jdb h LEU 177 Cb 1.17 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.18 1jdb h LEU 177 CO 0.55 0.35 0.01 0.71 -0.34 0.00 0.00 178.44 179.72 1jdb h THR 178 N -0.22 1.24 -0.02 1.05 1.35 -2.04 -3.35 112.91 110.93 1jdb h THR 178 Ca 0.01 -0.79 0.00 0.00 -0.55 0.00 0.00 66.41 65.08 1jdb h THR 178 Cb 0.32 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 1jdb h THR 178 CO 0.00 0.23 -0.17 0.61 -0.25 0.00 0.00 175.52 175.94 1jdb n GLY 179 N -0.33 0.38 7.00 5.82 0.00 -1.23 -5.09 105.19 111.73 1jdb n GLY 179 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1jdb n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdb n GLY 180 N 1.22 0.74 3.63 -0.02 0.00 0.16 -4.51 105.19 106.40 1jdb n GLY 180 Ca 0.10 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.83 1jdb n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jdb s LEU 181 N 0.00 3.88 1.14 0.99 1.43 -1.26 -2.57 118.68 122.28 1jdb s LEU 181 Ca 0.00 1.40 -0.12 0.00 -1.03 0.00 0.00 54.13 54.37 1jdb s LEU 181 Cb 0.00 -3.54 0.27 0.00 0.03 0.00 0.00 46.19 42.96 1jdb s LEU 181 CO 0.00 -1.18 1.04 -2.16 0.23 0.00 0.00 176.35 174.28 1jdb s PRO 182 N 4.44 -0.75 0.01 1.29 0.04 -1.26 -4.99 135.00 133.79 1jdb s PRO 182 Ca 0.64 0.93 -0.28 0.00 0.04 0.00 0.00 61.00 62.33 1jdb s PRO 182 Cb -0.21 -1.57 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 1jdb s PRO 182 CO 0.26 -3.64 0.90 -0.65 0.04 0.00 0.00 177.00 173.92 1jdb s GLN 183 N -4.47 4.55 0.49 4.56 -1.52 -1.26 -4.76 119.66 117.24 1jdb s GLN 183 Ca 0.68 1.28 -0.22 0.00 -1.95 0.00 0.00 55.36 55.16 1jdb s GLN 183 Cb -0.25 -3.43 -0.09 0.00 -0.22 0.00 0.00 33.01 29.02 1jdb s GLN 183 CO 0.64 0.05 0.88 0.00 -0.25 0.00 0.00 175.29 176.61 1jdb n ALA 184 N 3.57 -0.19 -1.94 6.09 0.00 -1.26 -4.75 120.51 122.04 1jdb n ALA 184 Ca 0.03 0.13 -0.25 0.00 0.00 0.00 0.00 53.44 53.35 1jdb n ALA 184 Cb 0.51 -2.02 0.07 0.00 0.00 0.00 0.00 19.45 18.00 1jdb n ALA 184 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jdb s LYS 185 N -2.17 2.19 0.12 0.00 1.02 0.10 -4.93 119.74 116.07 1jdb s LYS 185 Ca 0.67 -0.41 -0.24 0.00 0.02 0.00 0.00 55.97 56.01 1jdb s LYS 185 Cb -0.51 -2.23 -0.07 0.00 -0.52 0.00 0.00 37.83 34.50 1jdb s LYS 185 CO 0.54 -1.18 0.75 0.15 -0.92 0.00 0.00 175.35 174.69 1jdb s LYS 186 N -5.16 4.50 0.67 1.68 1.02 -1.26 -4.79 119.74 116.40 1jdb s LYS 186 Ca 0.60 1.08 0.33 0.00 0.02 0.00 0.00 55.97 58.00 1jdb s LYS 186 Cb -0.10 -3.29 1.81 0.00 -0.52 0.00 0.00 37.83 35.72 1jdb s LYS 186 CO 0.44 0.48 2.02 0.93 -0.92 0.00 0.00 175.35 178.30 1jdb h GLU 187 N 4.79 0.00 0.00 1.68 5.08 -1.97 0.63 114.58 124.80 1jdb h GLU 187 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 1jdb h GLU 187 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1jdb h GLU 187 CO 0.67 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.43 1jdb n ASP 188 N -2.93 0.00 -0.09 1.42 9.92 -1.26 -3.28 116.55 120.32 1jdb n ASP 188 Ca -0.02 -0.68 -0.13 0.00 -0.53 0.00 0.00 54.79 53.43 1jdb n ASP 188 Cb 0.31 -0.03 -0.09 0.00 -0.64 0.00 0.00 41.12 40.67 1jdb n ASP 188 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1jdb n GLU 189 N -1.03 0.47 -3.03 -1.24 1.02 0.22 -4.93 120.64 112.13 1jdb n GLU 189 Ca 0.17 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 57.00 1jdb n GLU 189 Cb 0.10 -1.37 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 1jdb n GLU 189 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1jdb s LEU 190 N -6.07 4.26 0.24 -4.62 1.43 -1.21 -5.00 118.68 107.70 1jdb s LEU 190 Ca -0.25 0.05 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 1jdb s LEU 190 Cb 0.06 -2.89 0.35 0.00 0.03 0.00 0.00 46.19 43.74 1jdb s LEU 190 CO 0.43 -0.76 1.82 1.55 0.23 0.00 0.00 176.35 179.62 1jdb h PRO 191 N 8.69 0.78 -6.11 1.29 0.13 -1.80 -3.40 132.00 131.58 1jdb h PRO 191 Ca -0.25 -0.05 -0.52 0.00 -0.87 0.00 0.00 66.00 64.31 1jdb h PRO 191 Cb 1.10 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.03 1jdb h PRO 191 CO 0.90 0.52 -0.44 -0.06 -0.23 0.00 0.00 178.00 178.69 1jdb s PHE 192 N -6.05 3.48 -0.16 1.56 0.08 -0.51 -4.95 117.98 111.42 1jdb s PHE 192 Ca -0.12 0.10 0.01 0.00 0.12 0.00 0.00 56.93 57.04 1jdb s PHE 192 Cb 0.18 -1.66 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1jdb s PHE 192 CO 0.78 0.47 -0.20 -1.58 -0.10 0.00 0.00 175.22 174.59 1jdb s HIS 193 N -1.83 2.69 0.01 0.36 5.65 -1.26 0.57 115.29 121.48 1jdb s HIS 193 Ca 0.35 -1.51 0.04 0.00 0.25 0.00 0.00 55.06 54.19 1jdb s HIS 193 Cb -0.10 -1.86 -0.02 0.00 -1.18 0.00 0.00 32.58 29.43 1jdb s HIS 193 CO 0.29 -0.73 -0.13 0.08 -0.65 0.00 0.00 174.74 173.59 1jdb s VAL 194 N 1.15 1.04 -0.14 0.89 1.01 0.94 -1.09 120.40 124.19 1jdb s VAL 194 Ca 0.01 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1jdb s VAL 194 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1jdb s VAL 194 CO -0.09 0.13 0.16 -0.69 0.00 0.00 0.00 175.10 174.62 1jdb s VAL 195 N -0.58 5.43 -0.20 2.92 1.01 -0.86 -0.39 120.40 127.72 1jdb s VAL 195 Ca 0.03 0.27 -0.01 0.00 0.00 0.00 0.00 61.98 62.27 1jdb s VAL 195 Cb -0.06 -3.46 0.05 0.00 0.00 0.00 0.00 36.38 32.91 1jdb s VAL 195 CO 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 175.10 175.62 1jdb s ALA 196 N -0.49 1.51 0.05 5.51 0.00 -0.54 0.23 121.76 128.03 1jdb s ALA 196 Ca 0.13 -0.98 -0.31 0.00 0.00 0.00 0.00 51.96 50.81 1jdb s ALA 196 Cb -0.12 -1.25 -0.06 0.00 0.00 0.00 0.00 23.12 21.69 1jdb s ALA 196 CO 0.03 -1.05 1.35 0.71 0.00 0.00 0.00 175.76 176.80 1jdb s TYR 197 N 1.61 3.11 -0.97 0.00 1.51 0.43 -1.61 117.35 121.43 1jdb s TYR 197 Ca -0.02 0.97 -0.18 0.00 -1.01 0.00 0.00 57.07 56.83 1jdb s TYR 197 Cb -0.17 -3.61 0.14 0.00 -0.11 0.00 0.00 41.96 38.21 1jdb s TYR 197 CO -0.07 -2.16 1.17 0.34 -1.11 0.00 0.00 175.55 173.72 1jdb s ASP 198 N 1.44 6.71 0.00 2.29 2.15 0.01 -2.64 116.67 126.63 1jdb s ASP 198 Ca 0.63 -2.23 0.21 0.00 0.43 0.00 0.00 52.55 51.58 1jdb s ASP 198 Cb -0.33 -2.39 0.89 0.00 -0.30 0.00 0.00 42.92 40.79 1jdb s ASP 198 CO 0.28 -0.99 1.62 0.49 -0.17 0.00 0.00 175.17 176.40 1jdb n PHE 199 N 6.28 0.14 0.00 -5.34 3.72 -1.26 -3.62 117.46 117.39 1jdb n PHE 199 Ca 0.26 -0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.59 1jdb n PHE 199 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 1jdb n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jdb n GLY 200 N 1.05 0.95 3.58 1.37 0.00 -1.13 -4.07 105.19 106.93 1jdb n GLY 200 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1jdb n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdb n ALA 201 N 0.00 -0.18 -2.79 4.61 0.00 -1.22 -4.29 120.51 116.63 1jdb n ALA 201 Ca 0.00 -0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 1jdb n ALA 201 Cb 0.00 -2.04 -0.08 0.00 0.00 0.00 0.00 19.45 17.34 1jdb n ALA 201 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jdb s LYS 202 N -2.61 3.84 0.50 0.00 1.02 -1.26 -4.79 119.74 116.44 1jdb s LYS 202 Ca 0.75 -0.21 0.23 0.00 0.02 0.00 0.00 55.97 56.76 1jdb s LYS 202 Cb -0.42 -3.28 1.31 0.00 -0.52 0.00 0.00 37.83 34.91 1jdb s LYS 202 CO 0.48 0.49 1.96 0.00 -0.92 0.00 0.00 175.35 177.36 1jdb h ARG 203 N 6.00 0.12 -0.24 1.68 3.08 -0.84 -2.20 114.38 121.99 1jdb h ARG 203 Ca -0.46 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 59.55 1jdb h ARG 203 Cb 1.18 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 1jdb h ARG 203 CO 0.68 0.08 0.01 -0.97 -1.07 0.00 0.00 179.97 178.70 1jdb h ASN 204 N 0.12 0.31 -0.26 7.04 -1.24 -1.93 0.05 115.58 119.67 1jdb h ASN 204 Ca 0.31 -0.04 -0.02 0.00 0.71 0.00 0.00 56.30 57.26 1jdb h ASN 204 Cb 1.06 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 40.02 1jdb h ASN 204 CO -0.04 0.36 0.09 0.40 -1.29 0.00 0.00 177.43 176.95 1jdb h ILE 205 N 0.34 1.19 -0.35 2.57 2.04 -1.73 0.15 117.51 121.72 1jdb h ILE 205 Ca 0.08 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.33 1jdb h ILE 205 Cb 0.21 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1jdb h ILE 205 CO 0.00 0.20 0.19 -0.07 0.00 0.00 0.00 178.15 178.47 1jdb h LEU 206 N 0.25 0.44 -0.55 1.44 3.38 -1.54 0.13 115.31 118.86 1jdb h LEU 206 Ca 0.08 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1jdb h LEU 206 Cb 0.22 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1jdb h LEU 206 CO -0.00 0.41 0.21 0.03 0.09 0.00 0.00 178.44 179.18 1jdb h ARG 207 N 0.44 0.84 -0.06 1.13 3.08 -0.85 0.33 114.38 119.28 1jdb h ARG 207 Ca 0.12 -0.16 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 1jdb h ARG 207 Cb 0.07 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1jdb h ARG 207 CO -0.02 0.73 -0.30 0.52 -1.07 0.00 0.00 179.97 179.83 1jdb h MET 208 N 0.76 0.11 0.29 0.04 2.86 -0.36 -0.10 114.93 118.52 1jdb h MET 208 Ca 0.18 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.77 1jdb h MET 208 Cb 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jdb h MET 208 CO -0.01 0.40 -0.14 -0.07 1.06 0.00 0.00 176.91 178.15 1jdb h LEU 209 N 0.09 -0.33 -1.65 1.22 3.38 -0.12 -2.80 115.31 115.10 1jdb h LEU 209 Ca 0.01 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 57.92 1jdb h LEU 209 Cb 0.59 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.38 1jdb h LEU 209 CO 0.04 0.04 0.44 0.58 0.09 0.00 0.00 178.44 179.63 1jdb h VAL 210 N -0.73 0.83 -0.38 1.22 2.07 -0.08 0.97 116.25 120.15 1jdb h VAL 210 Ca -0.04 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1jdb h VAL 210 Cb 0.49 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1jdb h VAL 210 CO 0.06 0.07 0.25 0.44 0.02 0.00 0.00 177.57 178.41 1jdb h ASP 211 N 0.37 0.40 0.35 0.57 3.32 -0.76 -0.92 116.42 119.74 1jdb h ASP 211 Ca 0.31 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1jdb h ASP 211 Cb 0.73 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1jdb h ASP 211 CO -0.09 0.28 0.00 0.54 -1.72 0.00 0.00 179.24 178.25 1jdb n ARG 212 N -4.48 0.60 -0.49 3.56 1.74 0.32 -4.87 116.66 113.04 1jdb n ARG 212 Ca 0.03 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1jdb n ARG 212 Cb 0.10 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1jdb n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jdb n GLY 213 N 1.06 1.49 3.38 -0.13 0.00 -0.35 -4.98 105.19 105.66 1jdb n GLY 213 Ca 0.17 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1jdb n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdb s ARG 215 N 0.87 4.24 0.19 0.00 3.52 0.19 -3.79 118.95 124.18 1jdb s ARG 215 Ca -0.01 0.58 0.04 0.00 -0.13 0.00 0.00 55.73 56.21 1jdb s ARG 215 Cb -0.15 -3.55 -0.03 0.00 -1.56 0.00 0.00 34.95 29.66 1jdb s ARG 215 CO 0.01 -0.15 0.28 -0.51 -0.81 0.00 0.00 175.30 174.12 1jdb s LEU 216 N 1.61 4.19 -0.26 -0.88 1.43 -0.52 -0.04 118.68 124.22 1jdb s LEU 216 Ca 0.28 0.04 -0.03 0.00 -1.03 0.00 0.00 54.13 53.40 1jdb s LEU 216 Cb -0.16 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 43.39 1jdb s LEU 216 CO 0.11 0.00 0.10 -0.89 0.23 0.00 0.00 176.35 175.90 1jdb s THR 217 N -1.87 0.32 -0.16 5.49 2.01 0.47 -1.82 115.64 120.09 1jdb s THR 217 Ca 0.34 -0.83 -0.25 0.00 0.31 0.00 0.00 61.69 61.26 1jdb s THR 217 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 1jdb s THR 217 CO 0.28 -0.55 0.80 -0.63 -0.69 0.00 0.00 174.62 173.82 1jdb s ILE 218 N 1.92 4.91 0.26 1.82 -1.09 0.36 -1.47 121.20 127.90 1jdb s ILE 218 Ca 0.06 1.57 0.10 0.00 -2.23 0.00 0.00 60.65 60.15 1jdb s ILE 218 Cb -0.17 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.56 1jdb s ILE 218 CO -0.24 0.06 -0.05 0.68 -1.23 0.00 0.00 174.94 174.16 1jdb s VAL 219 N 1.98 3.27 0.73 2.92 -7.23 -0.63 -1.37 120.40 120.07 1jdb s VAL 219 Ca 0.37 -1.96 -0.13 0.00 -1.81 0.00 0.00 61.98 58.46 1jdb s VAL 219 Cb -0.17 -2.73 0.04 0.00 0.56 0.00 0.00 36.38 34.08 1jdb s VAL 219 CO 0.13 -0.35 1.11 -2.84 -0.31 0.00 0.00 175.10 172.84 1jdb s PRO 220 N -3.54 2.43 0.59 4.82 0.02 -1.26 -0.81 135.00 137.24 1jdb s PRO 220 Ca 0.30 1.30 0.29 0.00 0.02 0.00 0.00 61.00 62.91 1jdb s PRO 220 Cb -0.06 -1.91 1.66 0.00 0.02 0.00 0.00 34.50 34.21 1jdb s PRO 220 CO 0.19 -1.52 2.10 0.00 -0.33 0.00 0.00 177.00 177.44 1jdb h ALA 221 N -0.64 1.80 -0.64 -1.55 0.00 -1.82 -2.80 119.26 113.61 1jdb h ALA 221 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1jdb h ALA 221 Cb 1.24 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1jdb h ALA 221 CO 0.52 -0.29 0.00 1.04 0.00 0.00 0.00 179.25 180.52 1jdb n GLN 222 N -3.80 2.70 -1.75 0.00 6.02 -1.26 -4.58 117.38 114.71 1jdb n GLN 222 Ca 0.01 -2.54 -0.42 0.00 -0.01 0.00 0.00 57.00 54.05 1jdb n GLN 222 Cb 0.32 -1.52 -0.01 0.00 1.02 0.00 0.00 30.24 30.05 1jdb n GLN 222 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1jdb n THR 223 N 1.49 1.80 -2.41 5.09 -1.04 -1.06 -4.97 114.28 113.17 1jdb n THR 223 Ca 0.22 -0.45 -0.33 0.00 -2.04 0.00 0.00 64.05 61.45 1jdb n THR 223 Cb 0.60 -1.87 -0.03 0.00 -1.82 0.00 0.00 70.33 67.21 1jdb n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1jdb s SER 224 N -0.05 6.38 0.18 8.00 1.04 -1.26 -4.89 113.70 123.10 1jdb s SER 224 Ca 0.56 1.75 -0.11 0.00 0.48 0.00 0.00 55.95 58.63 1jdb s SER 224 Cb -0.51 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.17 1jdb s SER 224 CO 0.60 -0.75 1.72 0.00 0.98 0.00 0.00 173.24 175.79 1jdb h ALA 225 N 1.13 0.83 -0.66 5.32 0.00 -1.93 -1.91 119.26 122.05 1jdb h ALA 225 Ca -0.48 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 54.37 1jdb h ALA 225 Cb 1.20 -0.25 -0.10 0.00 0.00 0.00 0.00 17.79 18.65 1jdb h ALA 225 CO 0.60 0.49 0.10 0.93 0.00 0.00 0.00 179.25 181.37 1jdb h GLU 226 N 0.91 0.21 -0.31 0.00 3.07 -1.95 0.79 114.58 117.29 1jdb h GLU 226 Ca 0.21 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.03 1jdb h GLU 226 Cb 0.26 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1jdb h GLU 226 CO -0.01 0.14 0.11 -0.44 -1.40 0.00 0.00 179.01 177.41 1jdb h ASP 227 N 0.22 0.45 0.06 1.42 3.32 -1.90 -2.68 116.42 117.30 1jdb h ASP 227 Ca 0.35 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 1jdb h ASP 227 Cb 0.57 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1jdb h ASP 227 CO -0.48 0.52 -0.03 0.58 -1.72 0.00 0.00 179.24 178.11 1jdb h VAL 228 N 0.35 1.16 -0.22 -1.35 2.07 -0.28 -2.99 116.25 114.99 1jdb h VAL 228 Ca 0.10 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 66.95 1jdb h VAL 228 Cb 0.22 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 1jdb h VAL 228 CO -0.01 0.18 0.40 -0.07 0.02 0.00 0.00 177.57 178.10 1jdb h LEU 229 N -0.40 0.00 -0.71 2.57 3.38 0.53 0.31 115.31 120.98 1jdb h LEU 229 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jdb h LEU 229 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1jdb h LEU 229 CO 0.01 0.00 0.00 0.50 0.09 0.00 0.00 178.44 179.04 1jdb h LYS 230 N 0.00 0.00 0.00 1.13 3.64 -1.32 -3.02 116.57 117.00 1jdb h LYS 230 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1jdb h LYS 230 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1jdb h LYS 230 CO -0.00 0.00 -0.22 -1.33 -2.27 0.00 0.00 179.45 175.62 1jdb n MET 231 N -2.67 0.09 -3.41 1.90 2.81 0.11 -4.95 117.12 111.01 1jdb n MET 231 Ca 0.03 0.05 -0.17 0.00 -1.81 0.00 0.00 57.70 55.80 1jdb n MET 231 Cb 0.34 -1.59 0.09 0.00 -0.71 0.00 0.00 33.22 31.35 1jdb n MET 231 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1jdb n ASN 232 N -1.74 -2.22 -4.75 7.83 4.13 -1.14 -4.93 115.26 112.44 1jdb n ASN 232 Ca 0.06 -0.60 -0.38 0.00 1.68 0.00 0.00 54.58 55.33 1jdb n ASN 232 Cb 0.37 -5.02 0.03 0.00 -1.54 0.00 0.00 39.78 33.62 1jdb n ASN 232 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1jdb s PRO 233 N -5.37 3.21 0.07 3.52 0.04 -1.26 -4.87 135.00 130.34 1jdb s PRO 233 Ca 0.02 2.17 0.25 0.00 0.04 0.00 0.00 61.00 63.48 1jdb s PRO 233 Cb -0.01 -2.27 0.52 0.00 0.04 0.00 0.00 34.50 32.78 1jdb s PRO 233 CO 0.71 -1.11 1.44 -0.25 0.04 0.00 0.00 177.00 177.84 1jdb n ASP 234 N -0.97 0.57 -3.61 6.66 8.00 -0.25 -4.94 116.55 122.01 1jdb n ASP 234 Ca 0.10 0.07 -0.02 0.00 0.71 0.00 0.00 54.79 55.66 1jdb n ASP 234 Cb 0.45 0.06 -0.01 0.00 -0.02 0.00 0.00 41.12 41.60 1jdb n ASP 234 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1jdb s GLY 235 N -3.37 -0.33 -0.07 0.44 0.00 -1.17 -4.63 107.32 98.18 1jdb s GLY 235 Ca 0.09 1.32 0.01 0.00 0.00 0.00 0.00 44.72 46.13 1jdb s GLY 235 CO 0.69 0.39 -0.06 -0.42 0.00 0.00 0.00 173.10 173.70 1jdb s ILE 236 N -2.33 0.75 -0.08 0.90 1.09 -0.87 -2.03 121.20 118.61 1jdb s ILE 236 Ca 0.12 -0.20 0.01 0.00 -1.10 0.00 0.00 60.65 59.48 1jdb s ILE 236 Cb 0.01 -0.77 -0.02 0.00 -1.06 0.00 0.00 42.46 40.62 1jdb s ILE 236 CO -0.04 0.29 -0.11 0.12 -0.10 0.00 0.00 174.94 175.10 1jdb s PHE 237 N 1.18 2.82 -0.22 3.97 5.36 0.64 -2.17 117.98 129.56 1jdb s PHE 237 Ca -0.06 -0.25 -0.05 0.00 -0.96 0.00 0.00 56.93 55.61 1jdb s PHE 237 Cb -0.14 -1.73 -0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1jdb s PHE 237 CO -0.02 0.10 -0.01 -0.51 -1.46 0.00 0.00 175.22 173.33 1jdb s LEU 238 N -0.38 3.11 0.84 6.12 1.43 0.80 -0.43 118.68 130.17 1jdb s LEU 238 Ca 0.05 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 1jdb s LEU 238 Cb -0.12 -1.80 0.13 0.00 0.03 0.00 0.00 46.19 44.43 1jdb s LEU 238 CO 0.02 0.01 1.18 -0.94 0.23 0.00 0.00 176.35 176.86 1jdb s SER 239 N 1.30 3.99 0.76 2.29 1.04 -1.08 -1.96 113.70 120.04 1jdb s SER 239 Ca 0.04 0.36 -0.12 0.00 0.48 0.00 0.00 55.95 56.72 1jdb s SER 239 Cb -0.15 -0.69 0.05 0.00 0.10 0.00 0.00 66.02 65.33 1jdb s SER 239 CO 0.00 -2.17 1.12 0.54 0.98 0.00 0.00 173.24 173.71 1jdb s ASN 240 N -4.71 4.92 0.00 7.02 4.22 -1.14 -0.80 114.94 124.44 1jdb s ASN 240 Ca 0.67 1.04 0.00 0.00 -2.14 0.00 0.00 52.86 52.43 1jdb s ASN 240 Cb -0.07 -1.72 0.00 0.00 1.28 0.00 0.00 41.25 40.74 1jdb s ASN 240 CO 0.49 -1.67 0.00 0.61 -2.04 0.00 0.00 177.10 174.49 1jdb n GLY 241 N -2.93 0.83 3.96 0.45 0.00 -1.26 -2.86 105.19 103.39 1jdb n GLY 241 Ca 0.07 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.00 1jdb n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jdb s PRO 242 N -2.00 1.21 1.23 1.61 0.04 -1.26 -4.58 135.00 131.25 1jdb s PRO 242 Ca 0.00 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1jdb s PRO 242 Cb 0.00 -2.11 0.00 0.00 0.04 0.00 0.00 34.50 32.43 1jdb s PRO 242 CO 0.00 -1.88 0.00 0.41 0.04 0.00 0.00 177.00 175.57 1jdb n GLY 243 N -3.26 -1.38 3.74 0.56 0.00 -1.26 -3.91 105.19 99.68 1jdb n GLY 243 Ca 0.15 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1jdb n GLY 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jdb s ASP 244 N -5.48 6.84 0.27 1.61 -1.08 -0.86 -4.87 116.67 113.10 1jdb s ASP 244 Ca 0.00 2.48 0.23 0.00 -0.52 0.00 0.00 52.55 54.74 1jdb s ASP 244 Cb 0.00 -2.62 0.26 0.00 -1.46 0.00 0.00 42.92 39.11 1jdb s ASP 244 CO 0.00 -0.56 1.36 1.55 0.52 0.00 0.00 175.17 178.05 1jdb h PRO 245 N 5.10 0.00 0.13 4.34 0.13 -1.89 -3.38 132.00 136.43 1jdb h PRO 245 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1jdb h PRO 245 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.30 1jdb h PRO 245 CO 0.76 0.00 -0.43 0.00 -0.23 0.00 0.00 178.00 178.10 1jdb h ALA 246 N 2.15 -0.77 0.00 -0.56 0.00 -1.96 -2.90 119.26 115.21 1jdb h ALA 246 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jdb h ALA 246 Cb 0.93 0.72 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1jdb h ALA 246 CO 0.00 -1.00 0.02 -0.35 0.00 0.00 0.00 179.25 177.92 1jdb n PRO 247 N -5.47 0.00 -1.74 0.00 -0.04 -1.26 -4.10 135.00 122.39 1jdb n PRO 247 Ca -0.07 0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.22 1jdb n PRO 247 Cb 0.38 -1.52 -0.03 0.00 -0.04 0.00 0.00 33.50 32.30 1jdb n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jdb n ASP 249 N 0.72 -0.17 -0.09 0.00 5.68 -1.26 -0.48 116.55 120.95 1jdb n ASP 249 Ca 0.52 1.19 0.09 0.00 -0.50 0.00 0.00 54.79 56.09 1jdb n ASP 249 Cb 0.42 -0.40 0.44 0.00 -1.14 0.00 0.00 41.12 40.45 1jdb n ASP 249 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 1jdb h TYR 250 N 0.00 0.55 0.29 2.11 -0.00 -1.93 -2.14 116.97 115.85 1jdb h TYR 250 Ca 0.38 0.01 -0.01 0.00 -0.00 0.00 0.00 58.73 59.11 1jdb h TYR 250 Cb 0.68 -0.18 0.00 0.00 -0.00 0.00 0.00 36.73 37.24 1jdb h TYR 250 CO -0.45 0.29 -0.14 0.00 -0.00 0.00 0.00 178.16 177.86 1jdb h ALA 251 N 1.68 -0.39 -0.59 0.10 0.00 -1.03 -0.74 119.26 118.30 1jdb h ALA 251 Ca 0.26 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.08 1jdb h ALA 251 Cb 0.33 0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1jdb h ALA 251 CO -0.08 -0.51 0.16 0.82 0.00 0.00 0.00 179.25 179.65 1jdb h ILE 252 N -0.81 0.69 0.00 0.00 2.04 -1.49 0.71 117.51 118.65 1jdb h ILE 252 Ca -0.04 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1jdb h ILE 252 Cb 0.51 0.36 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1jdb h ILE 252 CO 0.06 0.06 -0.01 0.74 0.00 0.00 0.00 178.15 179.00 1jdb h THR 253 N 0.30 0.00 -0.83 -0.27 2.02 -1.41 1.45 112.91 114.17 1jdb h THR 253 Ca 0.31 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.70 1jdb h THR 253 Cb 0.43 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.71 1jdb h THR 253 CO -0.37 0.00 0.22 0.00 0.37 0.00 0.00 175.52 175.75 1jdb h ALA 254 N -1.52 1.17 0.20 6.16 0.00 -0.67 0.81 119.26 125.41 1jdb h ALA 254 Ca -0.00 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1jdb h ALA 254 Cb 0.02 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1jdb h ALA 254 CO -0.01 -0.41 -0.10 0.82 0.00 0.00 0.00 179.25 179.56 1jdb h ILE 255 N 0.24 0.86 -0.95 0.00 2.04 0.12 -2.29 117.51 117.53 1jdb h ILE 255 Ca 0.50 -0.29 0.21 0.00 1.00 0.00 0.00 64.86 66.29 1jdb h ILE 255 Cb 0.96 1.04 -0.12 0.00 -0.74 0.00 0.00 36.82 37.96 1jdb h ILE 255 CO -0.60 0.07 0.51 1.56 0.00 0.00 0.00 178.15 179.69 1jdb h GLN 256 N -0.41 0.54 -0.21 2.37 4.20 0.36 0.40 115.11 122.37 1jdb h GLN 256 Ca -0.03 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1jdb h GLN 256 Cb 0.32 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1jdb h GLN 256 CO 0.05 0.36 0.12 0.87 -0.67 0.00 0.00 178.83 179.55 1jdb h LYS 257 N 0.56 0.27 0.10 1.46 6.56 -0.58 -2.17 116.57 122.77 1jdb h LYS 257 Ca 0.58 -0.02 -0.28 0.00 -1.06 0.00 0.00 60.65 59.87 1jdb h LYS 257 Cb 1.04 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.63 1jdb h LYS 257 CO -0.46 0.19 -1.34 0.74 -2.06 0.00 0.00 179.45 176.52 1jdb h PHE 258 N 0.28 0.39 -0.04 -1.35 0.04 0.30 -3.29 116.94 113.27 1jdb h PHE 258 Ca 0.07 -0.28 -0.01 0.00 2.80 0.00 0.00 57.97 60.55 1jdb h PHE 258 Cb -0.01 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 38.12 1jdb h PHE 258 CO 0.00 1.27 -0.04 -0.07 -0.60 0.00 0.00 178.31 178.87 1jdb h LEU 259 N 0.06 0.05 -2.51 1.54 3.38 -0.58 0.80 115.31 118.05 1jdb h LEU 259 Ca -0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jdb h LEU 259 Cb 1.96 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 42.70 1jdb h LEU 259 CO 0.17 0.11 -0.02 -0.08 0.09 0.00 0.00 178.44 178.71 1jdb h GLU 260 N 0.06 0.00 -6.23 1.13 4.57 -1.50 -3.42 114.58 109.18 1jdb h GLU 260 Ca 0.01 0.00 -0.48 0.00 -1.18 0.00 0.00 59.36 57.72 1jdb h GLU 260 Cb 0.11 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1jdb h GLU 260 CO 0.01 0.02 -0.43 0.99 -1.18 0.00 0.00 179.01 178.42 1jdb s THR 261 N -4.20 3.97 -2.33 0.32 2.01 0.27 -5.05 115.64 110.64 1jdb s THR 261 Ca -0.04 -1.24 0.26 0.00 0.31 0.00 0.00 61.69 60.98 1jdb s THR 261 Cb 0.13 -3.34 0.58 0.00 0.01 0.00 0.00 72.50 69.88 1jdb s THR 261 CO 0.49 -0.21 1.76 0.47 -0.69 0.00 0.00 174.62 176.44 1jdb n ASP 262 N -1.42 1.20 -4.75 3.53 9.92 -1.26 -4.87 116.55 118.90 1jdb n ASP 262 Ca -0.03 -1.47 -0.41 0.00 -0.53 0.00 0.00 54.79 52.35 1jdb n ASP 262 Cb 0.59 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 41.00 1jdb n ASP 262 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1jdb s ILE 263 N -1.94 3.51 -0.02 0.53 1.01 -1.26 -4.82 121.20 118.20 1jdb s ILE 263 Ca 0.37 1.40 -0.30 0.00 0.00 0.00 0.00 60.65 62.12 1jdb s ILE 263 Cb 0.20 -3.89 -0.06 0.00 0.01 0.00 0.00 42.46 38.71 1jdb s ILE 263 CO 0.31 0.29 1.66 -2.84 0.00 0.00 0.00 174.94 174.36 1jdb s PRO 264 N -0.95 4.19 -0.06 2.79 0.02 -1.26 -4.73 135.00 135.00 1jdb s PRO 264 Ca 0.48 2.23 -0.00 0.00 0.02 0.00 0.00 61.00 63.72 1jdb s PRO 264 Cb -0.32 -3.90 -0.03 0.00 0.02 0.00 0.00 34.50 30.26 1jdb s PRO 264 CO 0.40 -0.82 -0.02 0.08 -0.33 0.00 0.00 177.00 176.31 1jdb s VAL 265 N 3.71 4.08 -0.07 3.83 1.01 -0.18 -2.06 120.40 130.73 1jdb s VAL 265 Ca 0.74 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.30 1jdb s VAL 265 Cb -0.35 -2.72 0.04 0.00 0.00 0.00 0.00 36.38 33.35 1jdb s VAL 265 CO 0.31 0.56 0.14 0.12 0.00 0.00 0.00 175.10 176.22 1jdb s PHE 266 N -0.90 -0.14 0.13 5.22 5.36 -0.92 -1.06 117.98 125.67 1jdb s PHE 266 Ca 0.14 0.50 0.09 0.00 -0.96 0.00 0.00 56.93 56.70 1jdb s PHE 266 Cb -0.11 -0.21 -0.04 0.00 -0.34 0.00 0.00 43.02 42.32 1jdb s PHE 266 CO 0.03 -0.21 -0.21 0.20 -1.46 0.00 0.00 175.22 173.57 1jdb s GLY 267 N 1.77 1.36 -0.07 13.12 0.00 -0.73 -0.14 107.32 122.63 1jdb s GLY 267 Ca -0.02 -1.38 0.01 0.00 0.00 0.00 0.00 44.72 43.32 1jdb s GLY 267 CO -0.05 -1.40 -0.07 -0.42 0.00 0.00 0.00 173.10 171.16 1jdb s ILE 268 N -1.49 0.78 0.00 0.90 1.01 -0.83 -1.15 121.20 120.43 1jdb s ILE 268 Ca 0.11 -0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.54 1jdb s ILE 268 Cb -0.08 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1jdb s ILE 268 CO 0.06 0.29 0.00 0.00 0.00 0.00 0.00 174.94 175.29 1jdb h LEU 270 N 0.00 1.07 -1.61 0.00 5.85 -1.81 -1.48 115.31 117.34 1jdb h LEU 270 Ca 0.00 -0.11 0.17 0.00 0.84 0.00 0.00 57.88 58.78 1jdb h LEU 270 Cb 0.00 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 40.70 1jdb h LEU 270 CO 0.00 0.88 0.53 1.23 -0.34 0.00 0.00 178.44 180.75 1jdb h GLY 271 N 1.18 0.67 0.91 3.75 0.00 -0.03 0.12 103.07 109.69 1jdb h GLY 271 Ca 0.29 -0.16 -0.13 0.00 0.00 0.00 0.00 47.33 47.33 1jdb h GLY 271 CO -0.04 0.03 -0.40 0.84 0.00 0.00 0.00 176.54 176.97 1jdb h HIS 272 N 0.36 0.75 0.23 5.60 -0.00 -1.41 -2.37 115.15 118.31 1jdb h HIS 272 Ca 0.40 -0.28 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1jdb h HIS 272 Cb 1.01 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.28 1jdb h HIS 272 CO -0.00 1.03 -0.11 1.96 -0.00 0.00 0.00 177.93 180.81 1jdb h GLN 273 N 0.24 -0.29 -0.69 5.26 4.20 -0.40 -2.46 115.11 120.98 1jdb h GLN 273 Ca -0.00 0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.79 1jdb h GLN 273 Cb 1.01 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.80 1jdb h GLN 273 CO 0.09 -0.16 0.39 -0.07 -0.67 0.00 0.00 178.83 178.41 1jdb h LEU 274 N -0.36 0.58 -1.60 1.46 3.38 -1.08 0.12 115.31 117.82 1jdb h LEU 274 Ca -0.03 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1jdb h LEU 274 Cb 0.27 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1jdb h LEU 274 CO 0.05 0.38 0.41 0.25 0.09 0.00 0.00 178.44 179.62 1jdb h LEU 275 N 0.72 0.41 -0.07 1.67 5.85 -1.27 0.56 115.31 123.17 1jdb h LEU 275 Ca 0.31 0.01 -0.15 0.00 0.84 0.00 0.00 57.88 58.89 1jdb h LEU 275 Cb 0.18 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.14 1jdb h LEU 275 CO -0.18 0.25 -0.54 0.00 -0.34 0.00 0.00 178.44 177.63 1jdb h ALA 276 N 1.68 0.16 -0.37 1.25 0.00 -0.57 -2.94 119.26 118.48 1jdb h ALA 276 Ca 0.29 -0.52 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1jdb h ALA 276 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1jdb h ALA 276 CO -0.08 0.38 0.17 -0.07 0.00 0.00 0.00 179.25 179.64 1jdb h LEU 277 N 0.06 0.49 0.00 0.00 3.38 0.17 0.50 115.31 119.91 1jdb h LEU 277 Ca -0.05 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jdb h LEU 277 Cb 1.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1jdb h LEU 277 CO 0.11 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1jdb n ALA 278 N -2.27 2.29 0.16 1.53 0.00 0.19 -2.35 120.51 120.05 1jdb n ALA 278 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.36 1jdb n ALA 278 Cb 0.11 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.33 1jdb n ALA 278 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1jdb n SER 279 N -0.83 1.09 0.00 0.00 7.64 -0.56 -4.54 113.62 116.42 1jdb n SER 279 Ca 0.11 -1.04 0.00 0.00 1.01 0.00 0.00 58.87 58.95 1jdb n SER 279 Cb 0.05 0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 1jdb n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jdb n GLY 280 N 0.40 2.32 3.74 0.23 0.00 -0.99 -4.80 105.19 106.09 1jdb n GLY 280 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1jdb n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jdb s ALA 281 N -2.23 1.86 0.13 4.61 0.00 0.16 -4.94 121.76 121.36 1jdb s ALA 281 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.16 1jdb s ALA 281 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1jdb s ALA 281 CO 0.00 -2.11 -0.08 0.15 0.00 0.00 0.00 175.76 173.73 1jdb s LYS 282 N -4.90 2.18 0.19 0.00 1.02 -1.26 -4.02 119.74 112.95 1jdb s LYS 282 Ca 0.62 -1.09 0.09 0.00 0.02 0.00 0.00 55.97 55.62 1jdb s LYS 282 Cb -0.18 -2.29 -0.04 0.00 -0.52 0.00 0.00 37.83 34.80 1jdb s LYS 282 CO 0.57 0.48 -0.08 0.95 -0.92 0.00 0.00 175.35 176.35 1jdb s THR 283 N -1.43 3.24 0.11 2.17 -4.23 -1.26 -1.94 115.64 112.31 1jdb s THR 283 Ca 0.24 -1.69 0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1jdb s THR 283 Cb -0.10 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 71.07 1jdb s THR 283 CO 0.15 -0.14 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.32 1jdb s VAL 284 N -1.79 0.86 -0.42 2.29 1.01 0.43 -4.90 120.40 117.88 1jdb s VAL 284 Ca 0.26 -1.96 -0.11 0.00 0.00 0.00 0.00 61.98 60.16 1jdb s VAL 284 Cb -0.08 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.64 1jdb s VAL 284 CO 0.16 -0.82 0.28 -0.75 0.00 0.00 0.00 175.10 173.97 1jdb s LYS 285 N -3.75 2.75 0.43 2.72 2.20 -1.26 0.02 119.74 122.85 1jdb s LYS 285 Ca 0.13 -1.34 -0.23 0.00 -0.36 0.00 0.00 55.97 54.17 1jdb s LYS 285 Cb 0.04 -3.86 -0.11 0.00 -1.51 0.00 0.00 37.83 32.39 1jdb s LYS 285 CO -0.03 -0.91 0.81 -1.33 -0.36 0.00 0.00 175.35 173.53 1jdb n MET 286 N 5.01 0.97 -0.12 4.03 2.81 0.12 -4.92 117.12 125.02 1jdb n MET 286 Ca -0.11 0.35 -0.05 0.00 -1.81 0.00 0.00 57.70 56.08 1jdb n MET 286 Cb 0.44 -1.81 0.02 0.00 -0.71 0.00 0.00 33.22 31.16 1jdb n MET 286 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1jdb h LYS 287 N 1.14 0.05 0.00 0.03 3.64 -1.98 -3.37 116.57 116.07 1jdb h LYS 287 Ca -0.43 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1jdb h LYS 287 Cb 1.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.18 1jdb h LYS 287 CO 0.54 0.03 -0.72 1.97 -2.27 0.00 0.00 179.45 179.00 1jdb n PHE 288 N -5.25 0.00 -0.06 1.91 1.16 -1.26 0.78 117.46 114.74 1jdb n PHE 288 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.60 1jdb n PHE 288 Cb 0.21 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.08 1jdb n PHE 288 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1jdb n GLY 289 N 2.19 -2.79 3.25 4.97 0.00 -1.26 -4.82 105.19 106.72 1jdb n GLY 289 Ca 0.00 -1.68 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 1jdb n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jdb s HIS 290 N -0.98 3.26 -0.36 1.61 0.09 -0.09 -4.99 115.29 113.84 1jdb s HIS 290 Ca 0.00 -1.54 0.00 0.00 -0.00 0.00 0.00 55.06 53.52 1jdb s HIS 290 Cb 0.00 -2.25 0.12 0.00 -0.00 0.00 0.00 32.58 30.45 1jdb s HIS 290 CO 0.00 -0.75 0.16 -1.01 -0.00 0.00 0.00 174.74 173.14 1jdb s HIS 291 N 1.36 1.62 -1.57 1.40 3.76 -1.25 -1.28 115.29 119.33 1jdb s HIS 291 Ca -0.02 -1.91 0.00 0.00 -0.15 0.00 0.00 55.06 52.97 1jdb s HIS 291 Cb -0.20 -1.64 0.00 0.00 1.11 0.00 0.00 32.58 31.85 1jdb s HIS 291 CO 0.02 -0.84 0.00 0.41 -0.85 0.00 0.00 174.74 173.48 1jdb n GLY 292 N 4.34 -1.64 0.72 -2.22 0.00 -0.85 -1.83 105.19 103.71 1jdb n GLY 292 Ca 0.03 -1.09 0.05 0.00 0.00 0.00 0.00 46.02 45.01 1jdb n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jdb n GLY 293 N -0.29 3.04 0.16 -0.02 0.00 -1.26 0.11 105.19 106.94 1jdb n GLY 293 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.20 1jdb n GLY 293 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jdb n ASN 294 N -0.52 1.75 -4.61 1.61 6.94 -1.21 -4.38 115.26 114.83 1jdb n ASN 294 Ca 0.11 -2.74 -0.43 0.00 -0.02 0.00 0.00 54.58 51.51 1jdb n ASN 294 Cb 0.81 -0.34 -0.02 0.00 -2.36 0.00 0.00 39.78 37.86 1jdb n ASN 294 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1jdb s HIS 295 N -2.06 2.70 -0.11 -2.53 2.46 -0.85 -4.78 115.29 110.12 1jdb s HIS 295 Ca 0.22 0.78 -0.30 0.00 0.47 0.00 0.00 55.06 56.24 1jdb s HIS 295 Cb 0.19 -4.23 -0.02 0.00 -0.13 0.00 0.00 32.58 28.39 1jdb s HIS 295 CO 0.02 -1.52 1.20 -1.25 -2.47 0.00 0.00 174.74 170.72 1jdb s PRO 296 N 4.48 4.31 -0.14 2.88 0.04 -1.26 0.18 135.00 145.48 1jdb s PRO 296 Ca 0.53 1.63 -0.00 0.00 0.04 0.00 0.00 61.00 63.20 1jdb s PRO 296 Cb -0.11 -3.64 0.03 0.00 0.04 0.00 0.00 34.50 30.82 1jdb s PRO 296 CO 0.29 -0.55 -0.08 0.08 0.04 0.00 0.00 177.00 176.78 1jdb s VAL 297 N 2.74 1.21 0.25 -0.36 1.01 -0.50 -0.62 120.40 124.14 1jdb s VAL 297 Ca 0.54 -0.52 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1jdb s VAL 297 Cb -0.22 -1.26 -0.09 0.00 0.00 0.00 0.00 36.38 34.81 1jdb s VAL 297 CO 0.18 0.30 0.82 -0.75 0.00 0.00 0.00 175.10 175.64 1jdb s LYS 298 N 1.62 4.43 -0.52 2.72 2.20 0.16 -2.19 119.74 128.16 1jdb s LYS 298 Ca 0.03 1.09 -0.16 0.00 -0.36 0.00 0.00 55.97 56.57 1jdb s LYS 298 Cb -0.14 -2.91 0.10 0.00 -1.51 0.00 0.00 37.83 33.37 1jdb s LYS 298 CO -0.09 0.38 0.49 0.34 -0.36 0.00 0.00 175.35 176.12 1jdb s ASP 299 N -1.56 6.18 0.37 1.43 -1.08 0.33 -1.05 116.67 121.28 1jdb s ASP 299 Ca 0.45 -1.47 0.09 0.00 -0.52 0.00 0.00 52.55 51.09 1jdb s ASP 299 Cb -0.18 -2.22 0.83 0.00 -1.46 0.00 0.00 42.92 39.89 1jdb s ASP 299 CO 0.23 -0.81 1.90 -0.37 0.52 0.00 0.00 175.17 176.64 1jdb h VAL 300 N 5.84 0.87 -0.20 1.11 -1.51 -1.81 0.73 116.25 121.29 1jdb h VAL 300 Ca -0.29 -0.23 -0.02 0.00 -1.23 0.00 0.00 66.70 64.94 1jdb h VAL 300 Cb 1.10 0.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 1jdb h VAL 300 CO 0.97 0.12 0.06 -0.33 -1.23 0.00 0.00 177.57 177.17 1jdb h GLU 301 N 0.67 0.30 -0.01 5.19 5.08 -1.89 -3.27 114.58 120.64 1jdb h GLU 301 Ca 0.40 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1jdb h GLU 301 Cb 0.63 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.84 1jdb h GLU 301 CO -0.17 0.40 -0.72 1.63 -1.00 0.00 0.00 179.01 179.15 1jdb n LYS 302 N -4.80 0.64 -2.17 2.33 5.02 -1.05 -4.97 118.16 113.16 1jdb n LYS 302 Ca -0.04 -0.53 -0.21 0.00 -2.02 0.00 0.00 58.31 55.51 1jdb n LYS 302 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1jdb n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1jdb n ASN 303 N -0.71 -5.77 -4.95 4.39 5.15 0.25 -4.99 115.26 108.63 1jdb n ASN 303 Ca 0.07 0.13 -0.25 0.00 -0.60 0.00 0.00 54.58 53.93 1jdb n ASN 303 Cb 0.40 -4.87 -0.03 0.00 -0.53 0.00 0.00 39.78 34.76 1jdb n ASN 303 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1jdb s VAL 304 N -2.96 5.31 -0.03 3.44 -7.23 -0.98 -4.89 120.40 113.06 1jdb s VAL 304 Ca 0.00 -0.76 0.05 0.00 -1.81 0.00 0.00 61.98 59.46 1jdb s VAL 304 Cb 0.00 -3.77 -0.03 0.00 0.56 0.00 0.00 36.38 33.14 1jdb s VAL 304 CO 0.00 -0.15 -0.17 -0.69 -0.31 0.00 0.00 175.10 173.78 1jdb s VAL 305 N -1.80 2.84 -0.00 1.32 1.01 -1.26 -0.51 120.40 121.99 1jdb s VAL 305 Ca 0.34 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.50 1jdb s VAL 305 Cb -0.11 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.16 1jdb s VAL 305 CO 0.29 0.56 -0.10 0.00 0.00 0.00 0.00 175.10 175.84 1jdb s MET 306 N -0.80 0.81 -0.16 2.72 0.23 -0.93 -4.97 119.30 116.20 1jdb s MET 306 Ca 0.12 -0.41 -0.23 0.00 -1.03 0.00 0.00 55.69 54.14 1jdb s MET 306 Cb -0.10 -0.78 -0.02 0.00 -1.53 0.00 0.00 34.83 32.39 1jdb s MET 306 CO 0.01 0.21 0.71 0.42 -2.03 0.00 0.00 175.02 174.34 1jdb s ILE 307 N -0.34 4.98 0.17 3.16 -1.09 -1.26 -1.41 121.20 125.41 1jdb s ILE 307 Ca 0.03 1.38 0.06 0.00 -2.23 0.00 0.00 60.65 59.89 1jdb s ILE 307 Cb -0.04 -4.03 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1jdb s ILE 307 CO -0.00 0.12 -0.12 0.42 -1.23 0.00 0.00 174.94 174.12 1jdb s THR 308 N 1.73 1.42 -0.11 2.92 -4.23 0.13 -4.05 115.64 113.44 1jdb s THR 308 Ca 0.34 -2.08 -0.22 0.00 -1.18 0.00 0.00 61.69 58.56 1jdb s THR 308 Cb -0.16 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1jdb s THR 308 CO 0.13 -0.64 0.63 0.00 -0.54 0.00 0.00 174.62 174.19 1jdb s ALA 309 N -3.03 3.42 0.04 3.99 0.00 -1.26 -2.00 121.76 122.92 1jdb s ALA 309 Ca 0.18 -0.03 0.08 0.00 0.00 0.00 0.00 51.96 52.18 1jdb s ALA 309 Cb 0.00 -2.88 -0.03 0.00 0.00 0.00 0.00 23.12 20.22 1jdb s ALA 309 CO 0.03 -0.17 -0.22 -0.65 0.00 0.00 0.00 175.76 174.75 1jdb s GLN 310 N 1.00 1.49 -0.47 0.00 -1.52 0.12 -1.94 119.66 118.34 1jdb s GLN 310 Ca 0.33 -0.98 0.06 0.00 -1.95 0.00 0.00 55.36 52.82 1jdb s GLN 310 Cb -0.17 -1.62 0.22 0.00 -0.22 0.00 0.00 33.01 31.23 1jdb s GLN 310 CO 0.14 0.41 0.73 -1.71 -0.25 0.00 0.00 175.29 174.61 1jdb n ASN 311 N 1.85 -2.29 -3.82 5.90 5.15 -0.80 -2.00 115.26 119.24 1jdb n ASN 311 Ca -0.17 -3.00 -0.12 0.00 -0.60 0.00 0.00 54.58 50.69 1jdb n ASN 311 Cb 0.53 1.15 -0.10 0.00 -0.53 0.00 0.00 39.78 40.83 1jdb n ASN 311 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1jdb s HIS 312 N 0.36 -0.11 -0.23 1.20 -3.43 -0.41 -4.99 115.29 107.68 1jdb s HIS 312 Ca 0.32 0.22 0.02 0.00 -0.80 0.00 0.00 55.06 54.82 1jdb s HIS 312 Cb 0.14 0.03 0.02 0.00 -1.43 0.00 0.00 32.58 31.34 1jdb s HIS 312 CO -0.17 -0.24 0.65 0.41 -2.00 0.00 0.00 174.74 173.39 1jdb n GLY 313 N 2.00 -0.56 3.09 -1.38 0.00 -1.26 -0.91 105.19 106.18 1jdb n GLY 313 Ca -0.19 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1jdb n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jdb s PHE 314 N -0.31 0.73 0.16 1.61 0.08 -1.26 -0.70 117.98 118.29 1jdb s PHE 314 Ca 0.03 -0.62 -0.07 0.00 0.12 0.00 0.00 56.93 56.39 1jdb s PHE 314 Cb 0.02 -0.44 -0.01 0.00 -0.57 0.00 0.00 43.02 42.02 1jdb s PHE 314 CO 0.02 -0.10 0.24 0.00 -0.10 0.00 0.00 175.22 175.28 1jdb s ALA 315 N -2.01 0.17 0.01 5.36 0.00 0.10 -4.85 121.76 120.55 1jdb s ALA 315 Ca -0.04 -1.00 -0.18 0.00 0.00 0.00 0.00 51.96 50.74 1jdb s ALA 315 Cb -0.06 0.87 -0.06 0.00 0.00 0.00 0.00 23.12 23.87 1jdb s ALA 315 CO -0.01 -0.62 0.51 0.08 0.00 0.00 0.00 175.76 175.72 1jdb s VAL 316 N -3.98 4.92 -0.04 0.00 1.01 -1.26 0.16 120.40 121.20 1jdb s VAL 316 Ca 0.19 1.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.95 1jdb s VAL 316 Cb 0.04 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1jdb s VAL 316 CO 0.00 0.51 0.92 -0.62 0.00 0.00 0.00 175.10 175.91 1jdb s ASP 317 N -0.72 7.24 0.00 3.32 -1.08 -0.82 -4.58 116.67 120.04 1jdb s ASP 317 Ca 0.27 1.51 0.28 0.00 -0.52 0.00 0.00 52.55 54.09 1jdb s ASP 317 Cb -0.18 -2.53 1.10 0.00 -1.46 0.00 0.00 42.92 39.86 1jdb s ASP 317 CO 0.16 -0.27 1.80 -1.84 0.52 0.00 0.00 175.17 175.53 1jdb n GLU 318 N 4.15 0.38 0.15 4.34 0.28 -1.26 -2.72 120.64 125.96 1jdb n GLU 318 Ca 0.05 -0.12 0.05 0.00 -0.16 0.00 0.00 57.16 56.97 1jdb n GLU 318 Cb 0.51 -1.50 0.05 0.00 1.43 0.00 0.00 31.44 31.93 1jdb n GLU 318 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jdb h ALA 319 N 3.34 0.75 -0.16 -1.84 0.00 -1.98 -3.09 119.26 116.28 1jdb h ALA 319 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1jdb h ALA 319 Cb 0.42 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1jdb h ALA 319 CO 0.00 0.48 0.00 0.25 0.00 0.00 0.00 179.25 179.98 1jdb n THR 320 N -3.18 0.19 -2.26 0.00 -2.24 -1.10 -4.96 114.28 100.73 1jdb n THR 320 Ca 0.02 -0.49 -0.40 0.00 -2.27 0.00 0.00 64.05 60.91 1jdb n THR 320 Cb 0.69 0.91 -0.03 0.00 -2.10 0.00 0.00 70.33 69.80 1jdb n THR 320 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jdb s LEU 321 N -1.76 4.43 0.22 3.22 1.02 -1.17 -4.29 118.68 120.36 1jdb s LEU 321 Ca 0.34 2.49 -0.13 0.00 0.02 0.00 0.00 54.13 56.86 1jdb s LEU 321 Cb 0.20 -3.70 -0.08 0.00 0.02 0.00 0.00 46.19 42.64 1jdb s LEU 321 CO 0.30 -0.42 0.60 -2.16 0.02 0.00 0.00 176.35 174.69 1jdb s PRO 322 N -1.75 3.93 0.00 1.29 0.04 -1.26 -4.95 135.00 132.30 1jdb s PRO 322 Ca 0.49 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.99 1jdb s PRO 322 Cb -0.36 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.47 1jdb s PRO 322 CO 0.47 0.34 0.81 0.00 0.04 0.00 0.00 177.00 178.66 1jdb n ALA 323 N 0.19 1.08 1.04 8.56 0.00 -1.26 -0.93 120.51 129.19 1jdb n ALA 323 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1jdb n ALA 323 Cb 0.52 -0.93 0.23 0.00 0.00 0.00 0.00 19.45 19.27 1jdb n ALA 323 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1jdb n ASN 324 N -1.31 0.68 -4.19 0.00 2.04 -1.26 -4.72 115.26 106.51 1jdb n ASN 324 Ca 0.00 -0.47 -0.38 0.00 -0.44 0.00 0.00 54.58 53.29 1jdb n ASN 324 Cb 0.02 0.32 -0.11 0.00 -2.53 0.00 0.00 39.78 37.48 1jdb n ASN 324 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1jdb s LEU 325 N -2.90 5.09 0.61 -4.53 1.43 -0.10 0.15 118.68 118.43 1jdb s LEU 325 Ca 0.13 -1.74 -0.11 0.00 -1.03 0.00 0.00 54.13 51.38 1jdb s LEU 325 Cb 0.18 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1jdb s LEU 325 CO 0.68 -0.52 1.03 0.00 0.23 0.00 0.00 176.35 177.77 1jdb s ARG 326 N 1.27 3.63 -0.33 1.70 1.70 0.01 -4.60 118.95 122.34 1jdb s ARG 326 Ca 0.04 0.77 -0.13 0.00 -0.47 0.00 0.00 55.73 55.94 1jdb s ARG 326 Cb -0.23 -2.08 -0.02 0.00 -0.57 0.00 0.00 34.95 32.04 1jdb s ARG 326 CO -0.01 -0.54 0.26 0.08 -1.08 0.00 0.00 175.30 174.00 1jdb s VAL 327 N -3.13 5.27 -0.09 4.99 1.01 -1.26 -1.70 120.40 125.49 1jdb s VAL 327 Ca 0.55 -0.08 0.15 0.00 0.00 0.00 0.00 61.98 62.60 1jdb s VAL 327 Cb -0.11 -3.70 -0.21 0.00 0.00 0.00 0.00 36.38 32.35 1jdb s VAL 327 CO 0.52 0.02 0.19 0.35 0.00 0.00 0.00 175.10 176.18 1jdb n THR 328 N 5.12 0.56 -4.00 3.92 -2.24 -0.59 -4.86 114.28 112.19 1jdb n THR 328 Ca -0.12 -0.51 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1jdb n THR 328 Cb 0.50 -0.27 -0.11 0.00 -2.10 0.00 0.00 70.33 68.35 1jdb n THR 328 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1jdb s HIS 329 N -2.70 0.36 -0.01 4.78 3.76 -1.17 -2.76 115.29 117.55 1jdb s HIS 329 Ca -0.07 -0.49 -0.08 0.00 -0.15 0.00 0.00 55.06 54.27 1jdb s HIS 329 Cb 0.07 -0.24 0.01 0.00 1.11 0.00 0.00 32.58 33.53 1jdb s HIS 329 CO 0.64 -0.15 0.17 0.15 -0.85 0.00 0.00 174.74 174.69 1jdb s LYS 330 N -1.40 0.46 0.00 1.40 1.02 -0.22 -1.01 119.74 120.00 1jdb s LYS 330 Ca -0.13 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 1jdb s LYS 330 Cb -0.09 0.19 -0.04 0.00 -0.52 0.00 0.00 37.83 37.37 1jdb s LYS 330 CO -0.01 -0.11 1.11 0.45 -0.92 0.00 0.00 175.35 175.87 1jdb s SER 331 N -1.10 7.19 0.00 2.83 0.15 0.12 0.40 113.70 123.29 1jdb s SER 331 Ca -0.12 1.81 0.30 0.00 0.70 0.00 0.00 55.95 58.64 1jdb s SER 331 Cb -0.06 -2.57 1.41 0.00 -1.71 0.00 0.00 66.02 63.09 1jdb s SER 331 CO 0.02 -0.42 1.97 0.18 1.20 0.00 0.00 173.24 176.19 1jdb n LEU 332 N 4.25 0.34 -0.02 3.45 4.32 0.21 0.25 117.00 129.80 1jdb n LEU 332 Ca 0.08 0.04 -0.11 0.00 -0.02 0.00 0.00 56.01 56.01 1jdb n LEU 332 Cb 0.48 -0.16 -0.14 0.00 -1.62 0.00 0.00 43.42 41.98 1jdb n LEU 332 CO 0.54 0.06 -0.56 0.49 -1.22 0.00 0.00 177.39 176.70 1jdb n PHE 333 N -0.97 1.06 -1.30 -1.77 3.72 -1.26 -4.69 117.46 112.25 1jdb n PHE 333 Ca 0.16 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.92 1jdb n PHE 333 Cb 0.24 -1.19 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 1jdb n PHE 333 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1jdb n ASP 334 N -3.12 0.00 0.00 4.37 5.68 -1.22 -5.01 116.55 117.25 1jdb n ASP 334 Ca -0.19 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.10 1jdb n ASP 334 Cb 1.05 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.03 1jdb n ASP 334 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jdb n GLY 335 N 0.00 1.59 3.73 6.12 0.00 0.14 -5.00 105.19 111.78 1jdb n GLY 335 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jdb n GLY 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jdb s THR 336 N -3.67 2.03 0.32 2.61 -4.23 -1.26 -4.41 115.64 107.04 1jdb s THR 336 Ca 0.00 0.02 -0.29 0.00 -1.18 0.00 0.00 61.69 60.24 1jdb s THR 336 Cb 0.00 -3.01 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 1jdb s THR 336 CO 0.00 -0.00 1.25 -0.22 -0.54 0.00 0.00 174.62 175.11 1jdb s LEU 337 N -4.35 4.46 0.00 4.79 2.96 -1.26 0.13 118.68 125.40 1jdb s LEU 337 Ca 0.83 2.58 0.00 0.00 -0.22 0.00 0.00 54.13 57.32 1jdb s LEU 337 Cb -0.38 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 42.67 1jdb s LEU 337 CO 0.40 -0.43 0.07 0.00 -1.32 0.00 0.00 176.35 175.06 1jdb n GLN 338 N 0.89 0.45 -3.56 1.98 1.13 -0.18 -4.81 117.38 113.28 1jdb n GLN 338 Ca -0.00 -0.07 -0.13 0.00 -1.94 0.00 0.00 57.00 54.86 1jdb n GLN 338 Cb 0.43 -0.42 -0.06 0.00 0.11 0.00 0.00 30.24 30.30 1jdb n GLN 338 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1jdb s GLY 339 N -0.08 -0.37 0.01 1.08 0.00 -1.17 -0.22 107.32 106.56 1jdb s GLY 339 Ca 0.00 1.85 -0.20 0.00 0.00 0.00 0.00 44.72 46.37 1jdb s GLY 339 CO 0.00 1.09 0.44 -0.26 0.00 0.00 0.00 173.10 174.36 1jdb s ILE 340 N -0.99 0.04 0.09 0.90 -4.36 -0.95 -1.55 121.20 114.39 1jdb s ILE 340 Ca -0.04 -0.37 0.02 0.00 -0.26 0.00 0.00 60.65 60.00 1jdb s ILE 340 Cb -0.01 -0.86 -0.04 0.00 1.25 0.00 0.00 42.46 42.80 1jdb s ILE 340 CO 0.04 -0.20 -0.07 -2.28 0.24 0.00 0.00 174.94 172.67 1jdb s HIS 341 N -1.91 0.88 -0.18 1.37 2.46 -0.69 -1.66 115.29 115.57 1jdb s HIS 341 Ca -0.09 -0.88 -0.13 0.00 0.47 0.00 0.00 55.06 54.44 1jdb s HIS 341 Cb -0.02 -0.51 -0.05 0.00 -0.13 0.00 0.00 32.58 31.87 1jdb s HIS 341 CO 0.02 -0.14 0.25 1.03 -2.47 0.00 0.00 174.74 173.43 1jdb s ARG 342 N -3.64 4.22 0.16 2.88 1.81 -0.14 -0.81 118.95 123.44 1jdb s ARG 342 Ca 0.10 -0.00 -0.12 0.00 -1.72 0.00 0.00 55.73 53.99 1jdb s ARG 342 Cb 0.04 -3.44 0.05 0.00 -0.45 0.00 0.00 34.95 31.15 1jdb s ARG 342 CO -0.04 0.22 1.68 1.79 -0.68 0.00 0.00 175.30 178.27 1jdb h THR 343 N 4.74 1.24 0.00 0.02 1.35 0.11 -3.32 112.91 117.05 1jdb h THR 343 Ca -0.40 -0.85 -0.10 0.00 -0.55 0.00 0.00 66.41 64.51 1jdb h THR 343 Cb 1.16 0.73 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 1jdb h THR 343 CO 0.75 0.31 -0.60 -2.24 -0.25 0.00 0.00 175.52 173.49 1jdb h ASP 344 N 0.79 0.00 -3.00 5.36 3.04 -1.93 -3.49 116.42 117.19 1jdb h ASP 344 Ca 0.18 -0.64 -0.46 0.00 -3.24 0.00 0.00 57.03 52.87 1jdb h ASP 344 Cb 0.32 0.00 0.10 0.00 -1.04 0.00 0.00 39.33 38.70 1jdb h ASP 344 CO -0.00 1.17 0.20 -0.54 -2.04 0.00 0.00 179.24 178.02 1jdb s LYS 345 N -2.24 1.65 -0.97 4.15 -0.14 -1.25 -5.00 119.74 115.94 1jdb s LYS 345 Ca -0.22 -0.71 -0.00 0.00 -1.36 0.00 0.00 55.97 53.67 1jdb s LYS 345 Cb 0.02 -2.20 0.32 0.00 -1.68 0.00 0.00 37.83 34.29 1jdb s LYS 345 CO 0.57 -1.55 1.75 -0.35 -0.76 0.00 0.00 175.35 175.01 1jdb n PRO 346 N -3.02 5.08 -4.33 -1.68 -0.04 -1.26 -4.35 135.00 125.40 1jdb n PRO 346 Ca 0.13 -4.62 -0.19 0.00 -0.04 0.00 0.00 63.50 58.78 1jdb n PRO 346 Cb 0.60 -2.43 -0.15 0.00 -0.04 0.00 0.00 33.50 31.48 1jdb n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jdb s ALA 347 N -4.24 0.72 0.05 0.55 0.00 -1.26 -1.01 121.76 116.57 1jdb s ALA 347 Ca 0.41 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.95 1jdb s ALA 347 Cb 0.21 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1jdb s ALA 347 CO -0.15 0.15 0.21 -0.59 0.00 0.00 0.00 175.76 175.37 1jdb s PHE 348 N -0.01 0.06 -0.06 0.00 -0.71 -0.23 -0.96 117.98 116.08 1jdb s PHE 348 Ca 0.00 -0.32 -0.19 0.00 -1.04 0.00 0.00 56.93 55.39 1jdb s PHE 348 Cb -0.05 -0.02 0.04 0.00 -1.21 0.00 0.00 43.02 41.77 1jdb s PHE 348 CO -0.00 -0.47 0.42 -1.54 -1.34 0.00 0.00 175.22 172.30 1jdb s SER 349 N -2.27 -0.36 -0.10 1.98 1.04 -0.66 -1.78 113.70 111.55 1jdb s SER 349 Ca -0.03 0.41 0.03 0.00 0.48 0.00 0.00 55.95 56.84 1jdb s SER 349 Cb 0.00 0.50 -0.00 0.00 0.10 0.00 0.00 66.02 66.62 1jdb s SER 349 CO -0.06 -0.42 -0.22 0.12 0.98 0.00 0.00 173.24 173.65 1jdb s PHE 350 N -0.95 2.60 0.14 5.02 5.36 -0.30 -2.24 117.98 127.61 1jdb s PHE 350 Ca -0.10 -0.96 0.16 0.00 -0.96 0.00 0.00 56.93 55.06 1jdb s PHE 350 Cb -0.04 -1.73 0.46 0.00 -0.34 0.00 0.00 43.02 41.37 1jdb s PHE 350 CO 0.05 -0.37 1.63 0.37 -1.46 0.00 0.00 175.22 175.44 1jdb h GLN 351 N 6.68 0.00 0.00 10.12 5.75 -0.91 -0.24 115.11 136.51 1jdb h GLN 351 Ca -0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.29 1jdb h GLN 351 Cb 1.23 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.78 1jdb h GLN 351 CO 0.49 0.49 0.00 0.41 -2.65 0.00 0.00 178.83 177.57 1jdb n GLY 352 N 0.47 -0.77 3.15 2.39 0.00 -1.26 -4.06 105.19 105.11 1jdb n GLY 352 Ca -0.00 -1.72 -0.39 0.00 0.00 0.00 0.00 46.02 43.91 1jdb n GLY 352 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jdb s HIS 353 N -0.75 3.61 0.55 1.61 3.76 -0.82 -4.01 115.29 119.24 1jdb s HIS 353 Ca 0.00 -2.66 0.24 0.00 -0.15 0.00 0.00 55.06 52.49 1jdb s HIS 353 Cb 0.00 -3.34 1.45 0.00 1.11 0.00 0.00 32.58 31.80 1jdb s HIS 353 CO 0.00 -0.85 2.06 -1.00 -0.85 0.00 0.00 174.74 174.10 1jdb h PRO 354 N 6.90 0.00 0.00 8.40 0.13 -1.89 0.10 132.00 145.64 1jdb h PRO 354 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1jdb h PRO 354 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1jdb h PRO 354 CO 0.76 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 1jdb n GLU 355 N -4.22 0.05 0.00 0.86 0.00 -1.26 -3.31 120.64 112.75 1jdb n GLU 355 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 57.16 57.26 1jdb n GLU 355 Cb 0.41 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.29 1jdb n GLU 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jdb n ALA 356 N -1.55 0.00 -3.21 -1.84 0.00 0.35 -4.88 120.51 109.38 1jdb n ALA 356 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.36 1jdb n ALA 356 Cb 0.35 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.81 1jdb n ALA 356 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1jdb n SER 357 N 6.03 -6.89 -4.94 0.00 2.88 -1.26 -4.80 113.62 104.64 1jdb n SER 357 Ca 0.00 -0.06 -0.24 0.00 -1.33 0.00 0.00 58.87 57.24 1jdb n SER 357 Cb 0.00 -4.00 0.02 0.00 -0.75 0.00 0.00 64.21 59.47 1jdb n SER 357 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jdb s PRO 358 N -3.14 3.03 0.00 -1.46 0.04 -1.26 -4.81 135.00 127.41 1jdb s PRO 358 Ca 0.15 -0.34 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1jdb s PRO 358 Cb -0.03 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 32.04 1jdb s PRO 358 CO 0.81 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.87 1jdb n GLY 359 N -2.22 1.33 3.74 0.56 0.00 -1.26 -4.76 105.19 102.57 1jdb n GLY 359 Ca 0.02 -2.19 -0.42 0.00 0.00 0.00 0.00 46.02 43.43 1jdb n GLY 359 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1jdb s PRO 360 N -1.23 4.12 0.00 1.61 0.02 -1.26 -4.89 135.00 133.37 1jdb s PRO 360 Ca 0.00 2.59 0.00 0.00 0.02 0.00 0.00 61.00 63.61 1jdb s PRO 360 Cb 0.00 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.48 1jdb s PRO 360 CO 0.00 -0.67 0.81 0.72 -0.33 0.00 0.00 177.00 177.53 1jdb n HIS 361 N 2.66 0.00 -0.31 6.54 8.25 -1.26 -4.35 115.22 126.75 1jdb n HIS 361 Ca 0.10 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.60 1jdb n HIS 361 Cb 0.37 -0.02 0.24 0.00 1.12 0.00 0.00 29.99 31.69 1jdb n HIS 361 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1jdb h ASP 362 N 0.02 0.91 -0.30 0.41 5.19 -1.91 -2.95 116.42 117.80 1jdb h ASP 362 Ca 0.00 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1jdb h ASP 362 Cb 0.10 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.42 1jdb h ASP 362 CO 0.00 0.59 0.00 0.00 -3.12 0.00 0.00 179.24 176.71 1jdb n ALA 363 N -2.39 2.47 -0.23 3.45 0.00 -1.26 -4.49 120.51 118.05 1jdb n ALA 363 Ca 0.14 -0.62 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1jdb n ALA 363 Cb 0.20 -1.01 0.30 0.00 0.00 0.00 0.00 19.45 18.93 1jdb n ALA 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jdb h ALA 364 N 3.87 1.62 0.00 0.00 0.00 -1.51 -2.71 119.26 120.53 1jdb h ALA 364 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jdb h ALA 364 Cb 0.51 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jdb h ALA 364 CO 0.00 0.26 0.10 -1.00 0.00 0.00 0.00 179.25 178.61 1jdb h PRO 365 N 0.87 0.00 -0.90 0.00 0.14 -1.84 -2.24 132.00 128.04 1jdb h PRO 365 Ca 0.34 0.00 0.16 0.00 0.14 0.00 0.00 66.00 66.64 1jdb h PRO 365 Cb 0.22 0.00 -0.07 0.00 0.14 0.00 0.00 31.00 31.29 1jdb h PRO 365 CO -0.12 0.00 0.58 -0.07 0.14 0.00 0.00 178.00 178.53 1jdb h LEU 366 N 0.00 0.60 -2.02 1.56 4.07 -1.84 0.85 115.31 118.52 1jdb h LEU 366 Ca 0.00 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 1jdb h LEU 366 Cb 0.19 -0.07 -0.00 0.00 1.08 0.00 0.00 40.66 41.86 1jdb h LEU 366 CO 0.00 0.28 -0.09 -0.26 -1.08 0.00 0.00 178.44 177.29 1jdb h PHE 367 N 0.62 0.00 0.00 1.13 0.04 -1.64 -1.93 116.94 115.17 1jdb h PHE 367 Ca 0.46 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.23 1jdb h PHE 367 Cb 0.84 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.99 1jdb h PHE 367 CO -0.00 0.09 -0.02 -0.44 -0.60 0.00 0.00 178.31 177.33 1jdb h ASP 368 N 0.00 0.00 0.09 2.17 3.32 0.56 -2.70 116.42 119.87 1jdb h ASP 368 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1jdb h ASP 368 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1jdb h ASP 368 CO 0.01 0.02 -0.04 -0.74 -1.72 0.00 0.00 179.24 176.77 1jdb h HIS 369 N 0.00 -0.12 -0.33 4.55 2.76 -1.35 -2.77 115.15 117.90 1jdb h HIS 369 Ca -0.00 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1jdb h HIS 369 Cb 0.04 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 28.95 1jdb h HIS 369 CO 0.00 0.24 -0.39 0.35 -1.30 0.00 0.00 177.93 176.83 1jdb h PHE 370 N -0.49 -1.10 -0.86 5.26 3.57 -1.61 0.43 116.94 122.14 1jdb h PHE 370 Ca -0.01 0.06 0.13 0.00 3.53 0.00 0.00 57.97 61.67 1jdb h PHE 370 Cb 0.41 0.53 -0.06 0.00 2.79 0.00 0.00 35.95 39.62 1jdb h PHE 370 CO 0.04 -0.43 0.56 0.82 -2.23 0.00 0.00 178.31 177.07 1jdb h ILE 371 N -0.34 0.88 0.69 1.41 1.08 -1.53 0.16 117.51 119.86 1jdb h ILE 371 Ca 0.13 -0.24 -0.03 0.00 -0.39 0.00 0.00 64.86 64.33 1jdb h ILE 371 Cb 0.58 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 34.44 1jdb h ILE 371 CO -0.51 0.13 -0.36 -0.08 -0.69 0.00 0.00 178.15 176.63 1jdb h GLU 372 N 0.71 -0.94 -0.55 2.37 4.81 -0.78 0.50 114.58 120.70 1jdb h GLU 372 Ca 0.42 0.06 0.10 0.00 -0.13 0.00 0.00 59.36 59.81 1jdb h GLU 372 Cb 0.62 0.21 -0.11 0.00 0.63 0.00 0.00 28.75 30.10 1jdb h GLU 372 CO -0.18 -0.62 -0.36 -0.07 -0.73 0.00 0.00 179.01 177.05 1jdb h LEU 373 N -0.97 -1.24 -1.15 1.64 3.38 0.68 0.29 115.31 117.95 1jdb h LEU 373 Ca -0.09 0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.13 1jdb h LEU 373 Cb 0.76 0.59 -0.05 0.00 0.09 0.00 0.00 40.66 42.06 1jdb h LEU 373 CO 0.13 -0.32 0.58 0.40 0.09 0.00 0.00 178.44 179.32 1jdb h ILE 374 N -0.20 1.17 -0.15 1.22 2.04 -0.57 0.16 117.51 121.18 1jdb h ILE 374 Ca 0.21 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.57 1jdb h ILE 374 Cb 0.55 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 1jdb h ILE 374 CO -0.66 0.21 -0.39 -0.33 0.00 0.00 0.00 178.15 176.99 1jdb h GLU 375 N 1.13 0.33 -0.27 2.37 5.08 0.36 -2.94 114.58 120.65 1jdb h GLU 375 Ca 0.34 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1jdb h GLU 375 Cb -0.03 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1jdb h GLU 375 CO -0.09 0.67 0.04 0.37 -1.00 0.00 0.00 179.01 179.00 1jdb h GLN 376 N 0.28 0.45 -0.56 2.33 4.15 -0.51 -2.77 115.11 118.47 1jdb h GLN 376 Ca 0.03 -0.12 0.07 0.00 0.77 0.00 0.00 58.65 59.40 1jdb h GLN 376 Cb 0.81 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 28.39 1jdb h GLN 376 CO 0.06 0.57 0.24 -0.92 -1.93 0.00 0.00 178.83 176.86 1jdb h TYR 377 N 0.27 0.43 0.00 3.99 3.20 -0.57 -1.24 116.97 123.05 1jdb h TYR 377 Ca 0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1jdb h TYR 377 Cb 0.34 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1jdb h TYR 377 CO 0.02 0.16 0.00 0.54 -1.64 0.00 0.00 178.16 177.24 1jdb n ARG 378 N -4.94 0.23 -0.05 1.82 1.74 -1.12 0.85 116.66 115.19 1jdb n ARG 378 Ca 0.07 0.34 -0.12 0.00 -0.77 0.00 0.00 57.85 57.37 1jdb n ARG 378 Cb 0.21 -1.86 -0.11 0.00 -1.02 0.00 0.00 32.46 29.68 1jdb n ARG 378 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1jdb h LYS 379 N 0.00 -0.02 -0.05 5.56 1.57 -0.97 -3.35 116.57 119.32 1jdb h LYS 379 Ca 0.00 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.55 1jdb h LYS 379 Cb 0.54 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.86 1jdb h LYS 379 CO 0.00 0.77 -0.91 1.79 -0.57 0.00 0.00 179.45 180.53 1jdb h THR 380 N -0.94 1.32 0.00 -0.16 1.35 -1.34 -3.51 112.91 109.63 1jdb h THR 380 Ca -0.00 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 1jdb h THR 380 Cb 0.80 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 69.47 1jdb h THR 380 CO 0.00 0.68 0.00 0.00 -0.25 0.00 0.00 175.52 175.95