#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jg0 h GLN 3 N 0.00 0.36 -0.28 1.64 4.20 -1.99 -0.88 115.11 118.16 1jg0 h GLN 3 Ca 0.00 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 1jg0 h GLN 3 Cb 0.00 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 1jg0 h GLN 3 CO 0.00 0.24 -0.10 -0.92 -0.67 0.00 0.00 178.83 177.38 1jg0 h TYR 4 N 0.37 0.64 -0.13 2.96 3.20 -2.01 -1.69 116.97 120.32 1jg0 h TYR 4 Ca 0.12 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.74 1jg0 h TYR 4 Cb 0.03 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1jg0 h TYR 4 CO -0.00 0.79 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.88 1jg0 h LEU 5 N 0.31 0.28 -0.66 2.82 3.38 -1.90 -1.99 115.31 117.55 1jg0 h LEU 5 Ca 0.07 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1jg0 h LEU 5 Cb 0.60 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 1jg0 h LEU 5 CO 0.03 0.62 0.16 -0.33 0.09 0.00 0.00 178.44 179.02 1jg0 h GLU 6 N 0.23 1.06 -0.39 1.13 5.08 -1.00 -1.25 114.58 119.45 1jg0 h GLU 6 Ca 0.03 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1jg0 h GLU 6 Cb 0.74 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1jg0 h GLU 6 CO 0.06 0.94 0.25 1.25 -1.00 0.00 0.00 179.01 180.51 1jg0 h LEU 7 N 0.98 0.45 -0.55 1.33 5.85 -0.94 -0.03 115.31 122.41 1jg0 h LEU 7 Ca 0.21 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.91 1jg0 h LEU 7 Cb 0.36 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1jg0 h LEU 7 CO 0.00 0.35 0.35 0.24 -0.34 0.00 0.00 178.44 179.03 1jg0 h MET 8 N 0.52 0.68 -0.63 1.25 2.86 -1.01 -0.82 114.93 117.77 1jg0 h MET 8 Ca 0.14 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 1jg0 h MET 8 Cb -0.04 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 1jg0 h MET 8 CO -0.03 0.45 0.35 0.37 1.06 0.00 0.00 176.91 179.11 1jg0 h GLN 9 N 0.70 0.88 -0.31 1.72 5.75 -0.91 -1.07 115.11 121.87 1jg0 h GLN 9 Ca 0.21 -0.10 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1jg0 h GLN 9 Cb -0.03 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.33 1jg0 h GLN 9 CO -0.07 0.66 0.16 -0.22 -2.65 0.00 0.00 178.83 176.71 1jg0 h LYS 10 N 0.86 0.44 -0.88 1.69 3.64 -0.57 0.12 116.57 121.88 1jg0 h LYS 10 Ca 0.22 -0.06 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1jg0 h LYS 10 Cb 0.03 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 1jg0 h LYS 10 CO -0.04 0.40 0.57 0.28 -2.27 0.00 0.00 179.45 178.39 1jg0 h VAL 11 N 0.37 1.23 0.42 2.00 2.07 -0.92 0.37 116.25 121.79 1jg0 h VAL 11 Ca 0.11 -0.44 -0.02 0.00 0.82 0.00 0.00 66.70 67.17 1jg0 h VAL 11 Cb 0.10 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1jg0 h VAL 11 CO -0.01 0.23 -0.20 -0.07 0.02 0.00 0.00 177.57 177.53 1jg0 h LEU 12 N 1.20 -0.48 -0.52 2.57 3.38 -0.58 0.62 115.31 121.51 1jg0 h LEU 12 Ca 0.32 -0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.11 1jg0 h LEU 12 Cb -0.12 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1jg0 h LEU 12 CO -0.07 -0.28 -0.41 0.44 0.09 0.00 0.00 178.44 178.21 1jg0 h ASP 13 N -0.65 0.80 -0.00 -0.43 3.32 -0.44 -3.37 116.42 115.64 1jg0 h ASP 13 Ca -0.06 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1jg0 h ASP 13 Cb 0.48 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jg0 h ASP 13 CO 0.09 1.11 -0.19 -0.62 -1.72 0.00 0.00 179.24 177.91 1jg0 n GLU 14 N -4.03 3.18 -1.60 3.56 1.02 0.13 -5.05 120.64 117.85 1jg0 n GLU 14 Ca -0.02 -0.33 -0.35 0.00 -0.02 0.00 0.00 57.16 56.44 1jg0 n GLU 14 Cb 0.54 -0.92 0.08 0.00 -0.02 0.00 0.00 31.44 31.12 1jg0 n GLU 14 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1jg0 s GLY 15 N -1.24 2.58 -0.12 0.62 0.00 0.21 -4.88 107.32 104.50 1jg0 s GLY 15 Ca 0.04 1.03 -0.07 0.00 0.00 0.00 0.00 44.72 45.72 1jg0 s GLY 15 CO 0.20 1.44 0.15 -1.59 0.00 0.00 0.00 173.10 173.30 1jg0 s THR 16 N -1.72 5.49 0.14 0.90 2.01 0.02 -4.67 115.64 117.82 1jg0 s THR 16 Ca 0.78 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.76 1jg0 s THR 16 Cb -0.33 -3.41 -0.07 0.00 0.01 0.00 0.00 72.50 68.70 1jg0 s THR 16 CO 0.42 0.62 0.78 -1.58 -0.69 0.00 0.00 174.62 174.16 1jg0 s GLN 17 N -1.01 4.56 0.22 4.92 2.00 -1.26 -1.47 119.66 127.63 1jg0 s GLN 17 Ca 0.15 1.15 -0.00 0.00 -2.00 0.00 0.00 55.36 54.66 1jg0 s GLN 17 Cb -0.12 -3.28 -0.04 0.00 0.80 0.00 0.00 33.01 30.36 1jg0 s GLN 17 CO 0.04 0.51 0.12 0.15 -0.50 0.00 0.00 175.29 175.61 1jg0 s LYS 18 N -0.92 1.29 -0.06 1.67 1.02 -0.46 -4.99 119.74 117.29 1jg0 s LYS 18 Ca 0.37 -1.69 0.03 0.00 0.02 0.00 0.00 55.97 54.70 1jg0 s LYS 18 Cb -0.23 0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.15 1jg0 s LYS 18 CO 0.26 -0.36 -0.16 -0.80 -0.92 0.00 0.00 175.35 173.37 1jg0 s ASN 19 N -3.22 2.12 0.00 2.83 0.02 -1.26 -2.90 114.94 112.52 1jg0 s ASN 19 Ca 0.39 -0.36 0.00 0.00 -1.02 0.00 0.00 52.86 51.87 1jg0 s ASN 19 Cb 0.07 -0.80 0.00 0.00 0.02 0.00 0.00 41.25 40.55 1jg0 s ASN 19 CO 0.13 0.11 0.00 0.47 0.02 0.00 0.00 177.10 177.82 1jg0 n ASP 20 N 3.46 1.74 -4.66 -1.22 8.00 -1.26 -4.83 116.55 117.78 1jg0 n ASP 20 Ca -0.20 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 54.88 1jg0 n ASP 20 Cb 0.52 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 1jg0 n ASP 20 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jg0 s ALA 21 N -2.00 3.62 0.00 2.24 0.00 -1.26 0.12 121.76 124.48 1jg0 s ALA 21 Ca 0.00 0.99 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1jg0 s ALA 21 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1jg0 s ALA 21 CO 0.00 -1.38 0.00 0.25 0.00 0.00 0.00 175.76 174.63 1jg0 n THR 22 N 5.40 0.00 -0.89 0.00 -2.24 -1.26 -3.96 114.28 111.33 1jg0 n THR 22 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1jg0 n THR 22 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1jg0 n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jg0 n GLY 23 N -2.00 0.47 0.25 3.38 0.00 0.33 -4.97 105.19 102.64 1jg0 n GLY 23 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.12 1jg0 n GLY 23 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jg0 h THR 24 N 0.00 0.50 0.00 2.61 2.02 -1.76 -3.39 112.91 112.90 1jg0 h THR 24 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jg0 h THR 24 Cb 0.00 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1jg0 h THR 24 CO 0.00 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.50 1jg0 n GLY 25 N -1.34 0.20 3.28 2.16 0.00 -1.26 -4.62 105.19 103.60 1jg0 n GLY 25 Ca -0.04 -1.37 -0.09 0.00 0.00 0.00 0.00 46.02 44.52 1jg0 n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jg0 s THR 26 N -1.02 0.10 -0.17 2.61 -4.23 -1.14 -2.11 115.64 109.67 1jg0 s THR 26 Ca 0.00 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.12 1jg0 s THR 26 Cb 0.00 -1.67 -0.03 0.00 1.34 0.00 0.00 72.50 72.14 1jg0 s THR 26 CO 0.00 -0.43 -0.02 -0.76 -0.54 0.00 0.00 174.62 172.86 1jg0 s LEU 27 N -2.93 3.30 0.03 4.79 1.43 -0.32 -1.35 118.68 123.62 1jg0 s LEU 27 Ca 0.13 -0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 1jg0 s LEU 27 Cb 0.04 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.44 1jg0 s LEU 27 CO -0.04 0.15 0.08 -0.94 0.23 0.00 0.00 176.35 175.83 1jg0 s SER 28 N 0.48 0.17 0.29 2.29 1.04 -0.54 -1.28 113.70 116.15 1jg0 s SER 28 Ca -0.02 -0.48 0.06 0.00 0.48 0.00 0.00 55.95 55.99 1jg0 s SER 28 Cb -0.14 0.20 -0.06 0.00 0.10 0.00 0.00 66.02 66.12 1jg0 s SER 28 CO 0.02 -0.46 -0.04 0.27 0.98 0.00 0.00 173.24 174.01 1jg0 s ILE 29 N -2.26 1.63 -0.14 -1.02 -4.36 -0.24 -0.80 121.20 114.02 1jg0 s ILE 29 Ca -0.08 -2.11 -0.00 0.00 -0.26 0.00 0.00 60.65 58.20 1jg0 s ILE 29 Cb -0.03 -2.52 0.03 0.00 1.25 0.00 0.00 42.46 41.19 1jg0 s ILE 29 CO -0.03 -0.25 -0.07 0.12 0.24 0.00 0.00 174.94 174.95 1jg0 s PHE 30 N -3.02 1.67 0.00 1.37 5.36 -1.26 -1.18 117.98 120.93 1jg0 s PHE 30 Ca 0.31 -0.96 0.00 0.00 -0.96 0.00 0.00 56.93 55.32 1jg0 s PHE 30 Cb 0.05 -1.32 0.00 0.00 -0.34 0.00 0.00 43.02 41.41 1jg0 s PHE 30 CO 0.13 -0.58 0.00 0.41 -1.46 0.00 0.00 175.22 173.72 1jg0 n GLY 31 N 4.89 -1.14 3.37 13.12 0.00 -0.48 -5.00 105.19 119.94 1jg0 n GLY 31 Ca -0.13 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 1jg0 n GLY 31 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1jg0 s HIS 32 N 0.00 -0.36 -0.08 1.61 2.46 -0.95 -4.96 115.29 113.00 1jg0 s HIS 32 Ca 0.00 0.22 -0.09 0.00 0.47 0.00 0.00 55.06 55.66 1jg0 s HIS 32 Cb 0.00 0.35 0.02 0.00 -0.13 0.00 0.00 32.58 32.82 1jg0 s HIS 32 CO 0.00 -0.70 0.25 -1.14 -2.47 0.00 0.00 174.74 170.68 1jg0 s GLN 33 N -3.17 0.34 0.07 2.88 0.74 -1.26 -0.87 119.66 118.39 1jg0 s GLN 33 Ca -0.01 0.24 0.02 0.00 0.05 0.00 0.00 55.36 55.66 1jg0 s GLN 33 Cb 0.00 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.24 1jg0 s GLN 33 CO -0.08 -0.05 -0.07 -1.64 -0.55 0.00 0.00 175.29 172.91 1jg0 s MET 34 N -0.11 0.66 -0.06 1.67 -1.94 0.63 -4.98 119.30 115.17 1jg0 s MET 34 Ca -0.02 -1.05 0.01 0.00 -1.71 0.00 0.00 55.69 52.92 1jg0 s MET 34 Cb -0.03 -0.19 0.02 0.00 2.01 0.00 0.00 34.83 36.64 1jg0 s MET 34 CO 0.01 0.00 -0.08 0.50 -0.01 0.00 0.00 175.02 175.43 1jg0 s ARG 35 N -2.77 1.33 -0.25 2.03 3.52 -1.26 -0.61 118.95 120.93 1jg0 s ARG 35 Ca 0.01 -0.26 0.02 0.00 -0.13 0.00 0.00 55.73 55.36 1jg0 s ARG 35 Cb -0.02 -1.21 0.05 0.00 -1.56 0.00 0.00 34.95 32.21 1jg0 s ARG 35 CO -0.03 -0.06 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.23 1jg0 s PHE 36 N 0.93 3.16 -0.58 5.12 0.40 0.59 -4.95 117.98 122.64 1jg0 s PHE 36 Ca -0.10 -2.08 -0.28 0.00 -0.60 0.00 0.00 56.93 53.87 1jg0 s PHE 36 Cb -0.15 -1.96 0.02 0.00 0.51 0.00 0.00 43.02 41.44 1jg0 s PHE 36 CO 0.01 -0.84 1.35 1.21 0.70 0.00 0.00 175.22 177.64 1jg0 s ASN 37 N 1.17 6.21 0.64 1.36 3.84 -1.26 -0.06 114.94 126.84 1jg0 s ASN 37 Ca -0.05 0.18 0.37 0.00 0.21 0.00 0.00 52.86 53.57 1jg0 s ASN 37 Cb -0.18 -2.55 2.08 0.00 -0.55 0.00 0.00 41.25 40.05 1jg0 s ASN 37 CO -0.06 -1.66 2.26 -0.07 -2.79 0.00 0.00 177.10 174.78 1jg0 h LEU 38 N 12.79 0.00 -0.30 3.21 4.07 -1.51 -0.29 115.31 133.28 1jg0 h LEU 38 Ca -0.26 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1jg0 h LEU 38 Cb 1.08 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.82 1jg0 h LEU 38 CO 1.19 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 178.55 1jg0 n GLN 39 N -3.39 0.22 0.13 1.13 6.02 -1.26 -2.37 117.38 117.85 1jg0 n GLN 39 Ca -0.02 0.30 0.13 0.00 -0.01 0.00 0.00 57.00 57.39 1jg0 n GLN 39 Cb 0.14 -1.81 0.38 0.00 1.02 0.00 0.00 30.24 29.96 1jg0 n GLN 39 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1jg0 h ASP 40 N 0.00 0.00 -4.10 1.08 3.32 -1.43 -3.49 116.42 111.80 1jg0 h ASP 40 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jg0 h ASP 40 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1jg0 h ASP 40 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1jg0 n GLY 41 N 1.16 4.31 3.67 2.75 0.00 -1.00 -4.77 105.19 111.31 1jg0 n GLY 41 Ca 0.05 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 1jg0 n GLY 41 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jg0 s PHE 42 N -2.09 2.38 -0.34 1.61 5.36 -0.55 -4.62 117.98 119.73 1jg0 s PHE 42 Ca 0.00 0.46 -0.03 0.00 -0.96 0.00 0.00 56.93 56.40 1jg0 s PHE 42 Cb 0.00 -3.82 -0.06 0.00 -0.34 0.00 0.00 43.02 38.80 1jg0 s PHE 42 CO 0.00 -3.28 1.67 -0.35 -1.46 0.00 0.00 175.22 171.80 1jg0 n PRO 43 N 6.28 1.07 -3.53 10.12 -0.04 -1.26 -4.05 135.00 143.60 1jg0 n PRO 43 Ca 0.16 -0.79 -0.41 0.00 -0.04 0.00 0.00 63.50 62.42 1jg0 n PRO 43 Cb 0.43 -2.03 -0.11 0.00 -0.04 0.00 0.00 33.50 31.75 1jg0 n PRO 43 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1jg0 s LEU 44 N 0.04 4.59 -0.19 1.53 2.96 -1.26 -4.48 118.68 121.87 1jg0 s LEU 44 Ca 0.25 -0.51 -0.41 0.00 -0.22 0.00 0.00 54.13 53.24 1jg0 s LEU 44 Cb 0.09 -2.13 -0.19 0.00 0.50 0.00 0.00 46.19 44.45 1jg0 s LEU 44 CO -0.01 -0.27 1.22 0.52 -1.32 0.00 0.00 176.35 176.49 1jg0 n VAL 45 N 5.10 0.00 0.29 1.68 0.31 -1.26 -4.80 118.33 119.66 1jg0 n VAL 45 Ca -0.12 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.31 1jg0 n VAL 45 Cb 0.49 -0.19 -0.15 0.00 -0.91 0.00 0.00 33.84 33.08 1jg0 n VAL 45 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 1jg0 n THR 46 N 2.37 0.00 1.44 2.52 -2.24 -1.26 -4.39 114.28 112.71 1jg0 n THR 46 Ca 0.23 -0.35 0.06 0.00 -2.27 0.00 0.00 64.05 61.72 1jg0 n THR 46 Cb 0.02 0.30 0.37 0.00 -2.10 0.00 0.00 70.33 68.92 1jg0 n THR 46 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1jg0 n THR 47 N -2.03 0.00 -3.64 4.28 -2.24 -1.26 -0.78 114.28 108.61 1jg0 n THR 47 Ca -0.02 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.71 1jg0 n THR 47 Cb 0.50 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.25 1jg0 n THR 47 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1jg0 s LYS 48 N -2.00 0.45 0.23 -0.78 -2.85 -1.26 -4.62 119.74 108.91 1jg0 s LYS 48 Ca 0.19 0.69 -0.30 0.00 -1.00 0.00 0.00 55.97 55.54 1jg0 s LYS 48 Cb 0.09 0.14 -0.10 0.00 -2.06 0.00 0.00 37.83 35.89 1jg0 s LYS 48 CO 0.14 -0.08 1.50 0.50 0.10 0.00 0.00 175.35 177.52 1jg0 s ARG 49 N 1.00 4.23 -0.01 1.78 3.52 -0.42 -4.76 118.95 124.29 1jg0 s ARG 49 Ca -0.05 2.36 0.04 0.00 -0.13 0.00 0.00 55.73 57.95 1jg0 s ARG 49 Cb -0.04 -3.11 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1jg0 s ARG 49 CO -0.12 -0.51 -0.12 0.00 -0.81 0.00 0.00 175.30 173.74 1jg0 s HIS 51 N -0.22 2.99 -2.82 0.00 3.76 -1.26 -5.01 115.29 112.73 1jg0 s HIS 51 Ca 0.03 0.06 0.24 0.00 -0.15 0.00 0.00 55.06 55.24 1jg0 s HIS 51 Cb -0.05 -1.73 0.32 0.00 1.11 0.00 0.00 32.58 32.23 1jg0 s HIS 51 CO -0.00 0.36 1.34 1.28 -0.85 0.00 0.00 174.74 176.86 1jg0 n LEU 52 N 2.22 3.00 -0.16 0.89 4.77 -1.26 -4.59 117.00 121.88 1jg0 n LEU 52 Ca -0.18 -1.09 -0.09 0.00 -0.03 0.00 0.00 56.01 54.62 1jg0 n LEU 52 Cb 0.53 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 1jg0 n LEU 52 CO 0.27 0.55 0.58 -0.09 -1.33 0.00 0.00 177.39 177.36 1jg0 h ARG 53 N 4.44 -0.28 -0.62 3.23 2.43 -2.00 0.73 114.38 122.32 1jg0 h ARG 53 Ca 0.00 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1jg0 h ARG 53 Cb 0.95 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 1jg0 h ARG 53 CO 0.00 -0.18 0.04 0.77 -1.51 0.00 0.00 179.97 179.08 1jg0 h SER 54 N -0.29 1.04 -0.80 -3.80 0.02 -1.96 -2.79 113.55 104.97 1jg0 h SER 54 Ca 0.15 -0.28 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1jg0 h SER 54 Cb 0.57 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.80 1jg0 h SER 54 CO -0.62 1.07 0.52 0.40 -1.14 0.00 0.00 176.83 177.07 1jg0 h ILE 55 N 0.99 1.21 0.25 3.27 1.08 -1.64 0.47 117.51 123.14 1jg0 h ILE 55 Ca 0.18 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.24 1jg0 h ILE 55 Cb 0.52 0.04 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1jg0 h ILE 55 CO 0.02 0.21 -0.12 0.40 -0.69 0.00 0.00 178.15 177.97 1jg0 h ILE 56 N 1.09 0.80 -0.63 -0.67 2.04 -0.78 -0.78 117.51 118.58 1jg0 h ILE 56 Ca 0.29 -0.59 0.07 0.00 1.00 0.00 0.00 64.86 65.63 1jg0 h ILE 56 Cb -0.11 1.13 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 1jg0 h ILE 56 CO -0.06 0.12 0.31 0.45 0.00 0.00 0.00 178.15 178.97 1jg0 h HIS 57 N -0.65 0.56 -0.52 1.37 3.86 -1.36 -0.73 115.15 117.68 1jg0 h HIS 57 Ca -0.03 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 1jg0 h HIS 57 Cb 0.46 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.73 1jg0 h HIS 57 CO 0.02 0.23 0.25 1.49 0.86 0.00 0.00 177.93 180.79 1jg0 h GLU 58 N 0.56 0.48 -0.65 2.45 4.81 -0.82 0.18 114.58 121.59 1jg0 h GLU 58 Ca 0.29 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1jg0 h GLU 58 Cb 0.26 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1jg0 h GLU 58 CO -0.22 0.32 0.25 1.25 -0.73 0.00 0.00 179.01 179.87 1jg0 h LEU 59 N 0.49 0.92 -1.18 1.64 5.85 -0.34 0.12 115.31 122.81 1jg0 h LEU 59 Ca 0.23 -0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1jg0 h LEU 59 Cb 0.16 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1jg0 h LEU 59 CO -0.17 0.85 0.10 -0.07 -0.34 0.00 0.00 178.44 178.81 1jg0 h LEU 60 N 0.93 0.62 -0.65 2.25 3.38 -0.62 -1.93 115.31 119.29 1jg0 h LEU 60 Ca 0.22 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1jg0 h LEU 60 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1jg0 h LEU 60 CO -0.01 0.63 -0.23 -0.25 0.09 0.00 0.00 178.44 178.66 1jg0 h TRP 61 N 0.65 0.92 -0.14 1.13 7.01 -0.29 -2.65 115.95 122.58 1jg0 h TRP 61 Ca 0.15 -0.22 -0.00 0.00 2.11 0.00 0.00 58.89 60.92 1jg0 h TRP 61 Cb 0.26 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 1jg0 h TRP 61 CO 0.01 0.96 0.07 0.74 -2.79 0.00 0.00 178.44 177.44 1jg0 h PHE 62 N 0.70 0.21 0.00 2.65 0.04 -0.22 -2.98 116.94 117.34 1jg0 h PHE 62 Ca 0.09 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1jg0 h PHE 62 Cb 0.76 -0.06 -0.00 0.00 2.20 0.00 0.00 35.95 38.84 1jg0 h PHE 62 CO 0.04 0.24 -0.03 -0.07 -0.60 0.00 0.00 178.31 177.89 1jg0 h LEU 63 N 0.11 0.00 -0.30 1.54 3.38 -1.20 -0.48 115.31 118.37 1jg0 h LEU 63 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jg0 h LEU 63 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1jg0 h LEU 63 CO -0.01 0.03 0.00 1.56 0.09 0.00 0.00 178.44 180.11 1jg0 h GLN 64 N 0.00 0.00 -0.10 1.13 1.08 -1.32 -3.48 115.11 112.43 1jg0 h GLN 64 Ca -0.00 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1jg0 h GLN 64 Cb 0.07 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1jg0 h GLN 64 CO 0.00 0.00 -0.04 0.41 -0.95 0.00 0.00 178.83 178.26 1jg0 n GLY 65 N 0.89 0.55 3.86 3.46 0.00 -0.19 -5.04 105.19 108.72 1jg0 n GLY 65 Ca 0.04 -0.68 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1jg0 n GLY 65 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jg0 s ASP 66 N -2.69 6.25 -0.00 1.61 -4.77 -1.25 -3.82 116.67 112.00 1jg0 s ASP 66 Ca 0.00 0.43 0.10 0.00 -3.30 0.00 0.00 52.55 49.78 1jg0 s ASP 66 Cb 0.00 -2.00 0.29 0.00 -1.09 0.00 0.00 42.92 40.12 1jg0 s ASP 66 CO 0.00 0.41 1.25 0.35 0.70 0.00 0.00 175.17 177.87 1jg0 n THR 67 N 2.00 1.00 -3.43 2.11 -2.24 -1.26 -4.76 114.28 107.70 1jg0 n THR 67 Ca -0.20 -1.00 -0.38 0.00 -2.27 0.00 0.00 64.05 60.20 1jg0 n THR 67 Cb 0.55 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 1jg0 n THR 67 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1jg0 s ASN 68 N -1.00 6.76 0.00 3.42 3.84 -1.26 -2.87 114.94 123.82 1jg0 s ASN 68 Ca 0.22 0.90 0.08 0.00 0.21 0.00 0.00 52.86 54.28 1jg0 s ASN 68 Cb 0.12 -2.26 0.49 0.00 -0.55 0.00 0.00 41.25 39.05 1jg0 s ASN 68 CO 0.15 0.21 1.08 2.30 -2.79 0.00 0.00 177.10 178.05 1jg0 n ILE 69 N 2.49 0.00 -0.24 -5.21 -5.35 0.09 -4.23 119.36 106.92 1jg0 n ILE 69 Ca -0.12 0.00 -0.04 0.00 -0.27 0.00 0.00 62.75 62.32 1jg0 n ILE 69 Cb 0.52 -0.33 0.01 0.00 -1.74 0.00 0.00 39.64 38.10 1jg0 n ILE 69 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jg0 h ALA 70 N 2.78 0.01 -0.78 -1.28 0.00 -1.93 0.21 119.26 118.27 1jg0 h ALA 70 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1jg0 h ALA 70 Cb 0.00 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 1jg0 h ALA 70 CO 0.00 -0.66 0.47 -0.92 0.00 0.00 0.00 179.25 178.14 1jg0 h TYR 71 N -0.13 0.87 -0.53 0.00 3.20 -2.00 -0.80 116.97 117.58 1jg0 h TYR 71 Ca 0.26 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 1jg0 h TYR 71 Cb 0.56 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1jg0 h TYR 71 CO -0.68 0.43 0.12 -0.07 -1.64 0.00 0.00 178.16 176.32 1jg0 h LEU 72 N 0.86 0.81 -1.04 2.82 3.38 -1.45 -2.49 115.31 118.21 1jg0 h LEU 72 Ca 0.34 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 1jg0 h LEU 72 Cb 0.17 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1jg0 h LEU 72 CO -0.17 0.84 -0.13 0.45 0.09 0.00 0.00 178.44 179.52 1jg0 h HIS 73 N 0.75 0.58 0.00 1.13 3.86 -0.52 0.10 115.15 121.05 1jg0 h HIS 73 Ca 0.16 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1jg0 h HIS 73 Cb 0.36 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1jg0 h HIS 73 CO 0.02 0.65 -0.03 0.93 0.86 0.00 0.00 177.93 180.36 1jg0 h GLU 74 N 0.49 0.00 -0.33 2.45 5.08 -0.77 -2.16 114.58 119.35 1jg0 h GLU 74 Ca 0.09 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 1jg0 h GLU 74 Cb 0.52 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1jg0 h GLU 74 CO 0.03 0.03 0.01 0.09 -1.00 0.00 0.00 179.01 178.17 1jg0 n ASN 75 N -4.34 3.49 -3.89 1.42 4.13 -0.60 -4.98 115.26 110.49 1jg0 n ASN 75 Ca -0.03 -3.28 -0.26 0.00 1.68 0.00 0.00 54.58 52.69 1jg0 n ASN 75 Cb 0.11 -0.59 0.00 0.00 -1.54 0.00 0.00 39.78 37.77 1jg0 n ASN 75 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1jg0 n ASN 76 N -0.71 -1.55 -4.24 6.41 4.05 -0.59 -4.96 115.26 113.66 1jg0 n ASN 76 Ca 0.27 -0.91 -0.36 0.00 0.45 0.00 0.00 54.58 54.03 1jg0 n ASN 76 Cb 0.99 -3.48 -0.13 0.00 1.23 0.00 0.00 39.78 38.38 1jg0 n ASN 76 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 177.26 173.52 1jg0 s VAL 77 N -3.70 3.40 -2.23 3.44 1.01 0.25 -4.98 120.40 117.60 1jg0 s VAL 77 Ca 0.17 -1.09 0.23 0.00 0.00 0.00 0.00 61.98 61.30 1jg0 s VAL 77 Cb -0.09 -2.86 0.55 0.00 0.00 0.00 0.00 36.38 33.98 1jg0 s VAL 77 CO 0.86 -0.02 1.48 0.35 0.00 0.00 0.00 175.10 177.77 1jg0 n THR 78 N 4.74 0.76 -0.33 3.92 -2.24 -1.26 -4.20 114.28 115.68 1jg0 n THR 78 Ca -0.14 -0.88 0.12 0.00 -2.27 0.00 0.00 64.05 60.88 1jg0 n THR 78 Cb 0.45 0.73 0.26 0.00 -2.10 0.00 0.00 70.33 69.67 1jg0 n THR 78 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1jg0 h ILE 79 N 4.43 0.09 -0.36 2.28 2.04 -1.97 -1.39 117.51 122.63 1jg0 h ILE 79 Ca 0.00 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1jg0 h ILE 79 Cb 1.00 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1jg0 h ILE 79 CO 0.00 0.01 0.00 0.79 0.00 0.00 0.00 178.15 178.95 1jg0 n TRP 80 N -5.46 0.46 -0.13 1.37 7.02 -1.26 -4.61 117.44 114.83 1jg0 n TRP 80 Ca 0.21 -0.23 -0.05 0.00 -1.02 0.00 0.00 57.50 56.42 1jg0 n TRP 80 Cb 0.69 0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.60 1jg0 n TRP 80 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1jg0 h ASP 81 N 4.44 -0.41 -0.32 -0.99 5.19 -1.57 -2.21 116.42 120.54 1jg0 h ASP 81 Ca 0.00 0.13 0.09 0.00 -0.62 0.00 0.00 57.03 56.63 1jg0 h ASP 81 Cb 0.97 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1jg0 h ASP 81 CO 0.00 -0.15 0.40 -0.33 -3.12 0.00 0.00 179.24 176.04 1jg0 h GLU 82 N -0.01 0.00 0.00 3.56 4.39 -1.81 -2.98 114.58 117.72 1jg0 h GLU 82 Ca 0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1jg0 h GLU 82 Cb 0.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1jg0 h GLU 82 CO -0.44 0.00 -0.39 0.91 -1.16 0.00 0.00 179.01 177.93 1jg0 n TRP 83 N -3.61 0.00 -1.88 4.33 7.02 -0.87 -5.02 117.44 117.41 1jg0 n TRP 83 Ca 0.05 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.20 1jg0 n TRP 83 Cb 0.55 -0.00 0.03 0.00 -2.42 0.00 0.00 31.31 29.47 1jg0 n TRP 83 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jg0 s ALA 84 N -1.76 2.56 0.84 6.99 0.00 -1.00 -4.85 121.76 124.53 1jg0 s ALA 84 Ca 0.03 0.53 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1jg0 s ALA 84 Cb 0.06 -3.30 0.15 0.00 0.00 0.00 0.00 23.12 20.03 1jg0 s ALA 84 CO 0.32 -1.10 0.93 -0.40 0.00 0.00 0.00 175.76 175.50 1jg0 n ASP 85 N -2.21 0.57 0.24 0.00 5.68 -0.15 -4.84 116.55 115.84 1jg0 n ASP 85 Ca 0.10 -1.64 0.16 0.00 -0.50 0.00 0.00 54.79 52.91 1jg0 n ASP 85 Cb 0.52 -0.66 0.83 0.00 -1.14 0.00 0.00 41.12 40.67 1jg0 n ASP 85 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1jg0 h GLU 86 N 0.00 0.00 -0.02 0.11 4.39 -1.96 0.32 114.58 117.42 1jg0 h GLU 86 Ca -0.30 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.40 1jg0 h GLU 86 Cb 0.95 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1jg0 h GLU 86 CO 0.26 0.00 -0.12 -1.71 -1.16 0.00 0.00 179.01 176.28 1jg0 n ASN 87 N -2.66 1.74 -0.09 1.42 5.15 -1.26 -4.92 115.26 114.64 1jg0 n ASN 87 Ca -0.01 -1.45 -0.01 0.00 -0.60 0.00 0.00 54.58 52.51 1jg0 n ASN 87 Cb 0.10 0.09 -0.00 0.00 -0.53 0.00 0.00 39.78 39.43 1jg0 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jg0 n GLY 88 N 1.28 0.45 3.91 8.20 0.00 0.11 -4.89 105.19 114.25 1jg0 n GLY 88 Ca 0.15 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1jg0 n GLY 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jg0 s ASP 89 N -2.98 6.42 0.00 1.61 1.01 -1.26 -0.73 116.67 120.74 1jg0 s ASP 89 Ca 0.00 0.45 0.00 0.00 0.71 0.00 0.00 52.55 53.71 1jg0 s ASP 89 Cb 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 42.92 41.90 1jg0 s ASP 89 CO 0.00 0.03 0.01 0.18 0.21 0.00 0.00 175.17 175.60 1jg0 n LEU 90 N -0.23 0.02 0.00 1.23 4.77 -1.14 -0.98 117.00 120.67 1jg0 n LEU 90 Ca -0.04 -0.47 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1jg0 n LEU 90 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1jg0 n LEU 90 CO 0.49 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 1jg0 n GLY 91 N 0.88 -2.56 2.46 -0.72 0.00 -1.26 -0.83 105.19 103.16 1jg0 n GLY 91 Ca 0.00 -1.87 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 1jg0 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jg0 n PRO 92 N -0.14 3.42 -0.39 1.61 -0.04 -1.26 -4.77 135.00 133.43 1jg0 n PRO 92 Ca 0.00 -2.35 -0.05 0.00 -0.04 0.00 0.00 63.50 61.07 1jg0 n PRO 92 Cb 0.00 -2.97 0.03 0.00 -0.04 0.00 0.00 33.50 30.52 1jg0 n PRO 92 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1jg0 n VAL 93 N 4.10 0.00 0.00 0.52 0.24 -1.26 -4.48 118.33 117.44 1jg0 n VAL 93 Ca 0.70 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.83 1jg0 n VAL 93 Cb 0.29 -1.84 0.00 0.00 -1.47 0.00 0.00 33.84 30.82 1jg0 n VAL 93 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1jg0 n TYR 94 N -2.21 0.00 -0.31 6.34 4.01 -1.26 -0.89 117.16 122.85 1jg0 n TYR 94 Ca 0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.90 1jg0 n TYR 94 Cb 0.09 0.00 0.30 0.00 -0.31 0.00 0.00 39.34 39.43 1jg0 n TYR 94 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1jg0 h GLY 95 N 0.00 1.54 0.99 2.72 0.00 -1.86 0.19 103.07 106.64 1jg0 h GLY 95 Ca 0.00 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.09 1jg0 h GLY 95 CO 0.00 -0.25 0.06 1.70 0.00 0.00 0.00 176.54 178.06 1jg0 h LYS 96 N 0.42 0.82 -0.29 4.80 1.63 -1.12 -0.92 116.57 121.92 1jg0 h LYS 96 Ca 0.56 -0.23 -0.16 0.00 -0.85 0.00 0.00 60.65 59.97 1jg0 h LYS 96 Cb 1.04 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.58 1jg0 h LYS 96 CO -0.51 0.83 -0.43 1.96 -3.45 0.00 0.00 179.45 177.84 1jg0 h GLN 97 N 0.70 0.80 -0.73 1.90 1.08 -1.10 0.35 115.11 118.11 1jg0 h GLN 97 Ca 0.15 -0.48 -0.02 0.00 -1.45 0.00 0.00 58.65 56.85 1jg0 h GLN 97 Cb 0.42 0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1jg0 h GLN 97 CO 0.01 1.11 0.39 -1.49 -0.95 0.00 0.00 178.83 177.90 1jg0 h TRP 98 N 0.56 1.01 0.00 2.96 4.06 -0.59 -3.21 115.95 120.73 1jg0 h TRP 98 Ca 0.03 -0.03 -0.13 0.00 2.06 0.00 0.00 58.89 60.82 1jg0 h TRP 98 Cb 1.03 -0.32 -0.02 0.00 -1.00 0.00 0.00 29.16 28.85 1jg0 h TRP 98 CO 0.08 0.71 -2.01 0.54 -3.56 0.00 0.00 178.44 174.20 1jg0 n ARG 99 N -4.46 0.78 -2.93 0.49 5.12 -0.36 -1.78 116.66 113.52 1jg0 n ARG 99 Ca 0.06 -0.11 -0.14 0.00 -1.93 0.00 0.00 57.85 55.73 1jg0 n ARG 99 Cb 0.10 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 29.96 1jg0 n ARG 99 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jg0 n ALA 100 N -2.36 0.29 -1.95 7.54 0.00 0.12 -3.67 120.51 120.48 1jg0 n ALA 100 Ca -0.13 -2.26 -0.43 0.00 0.00 0.00 0.00 53.44 50.63 1jg0 n ALA 100 Cb 0.73 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.06 1jg0 n ALA 100 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1jg0 s TRP 101 N -0.47 1.82 -0.03 0.00 -0.11 -0.45 -4.61 118.94 115.09 1jg0 s TRP 101 Ca 0.31 0.25 -0.30 0.00 1.22 0.00 0.00 56.10 57.59 1jg0 s TRP 101 Cb 0.26 -3.99 -0.08 0.00 -1.50 0.00 0.00 33.47 28.16 1jg0 s TRP 101 CO -0.13 -3.84 1.98 -2.14 -4.62 0.00 0.00 176.95 168.21 1jg0 s PRO 102 N 4.59 3.94 -0.40 5.86 0.02 -1.26 0.01 135.00 147.75 1jg0 s PRO 102 Ca 0.78 2.44 -0.14 0.00 0.02 0.00 0.00 61.00 64.09 1jg0 s PRO 102 Cb -0.32 -4.19 0.02 0.00 0.02 0.00 0.00 34.50 30.04 1jg0 s PRO 102 CO 0.32 -1.18 0.29 -0.08 -0.33 0.00 0.00 177.00 176.02 1jg0 s THR 103 N 5.19 5.15 0.37 0.99 -1.32 -0.53 -4.93 115.64 120.57 1jg0 s THR 103 Ca 0.89 -0.70 0.00 0.00 -1.21 0.00 0.00 61.69 60.67 1jg0 s THR 103 Cb -0.39 -3.87 0.00 0.00 -1.51 0.00 0.00 72.50 66.72 1jg0 s THR 103 CO 0.39 -0.30 0.70 -2.65 -2.21 0.00 0.00 174.62 170.55 1jg0 n PRO 104 N 5.13 0.02 0.00 7.08 -0.02 -1.26 -0.35 135.00 145.60 1jg0 n PRO 104 Ca -0.11 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 62.00 1jg0 n PRO 104 Cb 0.47 -1.99 0.49 0.00 -0.02 0.00 0.00 33.50 32.44 1jg0 n PRO 104 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1jg0 n ASP 105 N -1.74 0.00 0.00 2.55 5.68 -1.26 -4.85 116.55 116.93 1jg0 n ASP 105 Ca 0.00 -0.17 0.00 0.00 -0.50 0.00 0.00 54.79 54.12 1jg0 n ASP 105 Cb 0.70 -0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1jg0 n ASP 105 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jg0 n GLY 106 N 0.23 2.60 0.00 6.12 0.00 0.53 -5.09 105.19 109.58 1jg0 n GLY 106 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1jg0 n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jg0 n ALA 107 N 0.00 0.00 -2.38 4.61 0.00 -1.20 -4.88 120.51 116.66 1jg0 n ALA 107 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1jg0 n ALA 107 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 1jg0 n ALA 107 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1jg0 s HIS 108 N 1.02 0.54 -0.18 0.00 3.76 -1.26 -1.45 115.29 117.72 1jg0 s HIS 108 Ca 0.00 -0.95 -0.01 0.00 -0.15 0.00 0.00 55.06 53.95 1jg0 s HIS 108 Cb 0.00 -0.26 -0.00 0.00 1.11 0.00 0.00 32.58 33.43 1jg0 s HIS 108 CO 0.00 -0.56 -0.12 0.42 -0.85 0.00 0.00 174.74 173.63 1jg0 s ILE 109 N -3.97 2.89 -0.73 0.60 1.01 0.10 -4.84 121.20 116.26 1jg0 s ILE 109 Ca 0.16 -0.68 -0.19 0.00 0.00 0.00 0.00 60.65 59.94 1jg0 s ILE 109 Cb 0.06 -2.26 0.12 0.00 0.01 0.00 0.00 42.46 40.39 1jg0 s ILE 109 CO -0.03 0.49 0.88 -0.62 0.00 0.00 0.00 174.94 175.66 1jg0 s ASP 110 N 1.03 6.37 0.30 3.58 -1.08 -1.24 -1.34 116.67 124.29 1jg0 s ASP 110 Ca -0.01 -1.65 0.04 0.00 -0.52 0.00 0.00 52.55 50.41 1jg0 s ASP 110 Cb -0.15 -2.34 0.47 0.00 -1.46 0.00 0.00 42.92 39.44 1jg0 s ASP 110 CO -0.02 -1.11 1.74 1.56 0.52 0.00 0.00 175.17 177.86 1jg0 h GLN 111 N 9.01 0.40 -0.38 4.34 4.20 -1.58 -2.07 115.11 129.03 1jg0 h GLN 111 Ca -0.12 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1jg0 h GLN 111 Cb 1.06 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.80 1jg0 h GLN 111 CO 1.08 0.64 0.03 0.82 -0.67 0.00 0.00 178.83 180.73 1jg0 h ILE 112 N 0.35 1.25 -0.32 2.54 1.08 -1.81 -1.52 117.51 119.08 1jg0 h ILE 112 Ca 0.05 -0.92 -0.12 0.00 -0.39 0.00 0.00 64.86 63.48 1jg0 h ILE 112 Cb 0.66 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 1jg0 h ILE 112 CO 0.05 0.31 -0.29 0.74 -0.69 0.00 0.00 178.15 178.27 1jg0 h THR 113 N 0.48 1.28 0.00 -0.27 2.02 -1.84 -0.97 112.91 113.62 1jg0 h THR 113 Ca 0.11 -1.40 0.02 0.00 0.77 0.00 0.00 66.41 65.91 1jg0 h THR 113 Cb 0.41 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.15 1jg0 h THR 113 CO 0.01 0.46 -0.11 0.74 0.37 0.00 0.00 175.52 176.99 1jg0 h THR 114 N 0.57 0.72 -0.82 3.16 2.02 -1.20 -1.08 112.91 116.27 1jg0 h THR 114 Ca 0.07 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1jg0 h THR 114 Cb 0.78 0.72 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 1jg0 h THR 114 CO 0.06 0.00 0.49 0.58 0.37 0.00 0.00 175.52 177.02 1jg0 h VAL 115 N -0.19 1.23 -0.28 3.16 2.07 -1.12 -0.33 116.25 120.79 1jg0 h VAL 115 Ca 0.04 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1jg0 h VAL 115 Cb 0.24 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.08 1jg0 h VAL 115 CO -0.11 0.25 0.17 -0.07 0.02 0.00 0.00 177.57 177.82 1jg0 h LEU 116 N 1.14 0.28 -1.08 2.57 -0.00 -0.48 -0.97 115.31 116.76 1jg0 h LEU 116 Ca 0.29 -0.00 -0.06 0.00 -0.00 0.00 0.00 57.88 58.11 1jg0 h LEU 116 Cb -0.03 -0.06 -0.02 0.00 -0.00 0.00 0.00 40.66 40.55 1jg0 h LEU 116 CO -0.05 0.20 -0.00 0.78 -0.00 0.00 0.00 178.44 179.37 1jg0 h ASN 117 N 0.34 0.61 -0.44 -0.43 -0.26 -0.73 -2.35 115.58 112.32 1jg0 h ASN 117 Ca 0.11 -0.13 -0.12 0.00 -0.56 0.00 0.00 56.30 55.60 1jg0 h ASN 117 Cb -0.01 -0.16 -0.01 0.00 -1.06 0.00 0.00 38.32 37.07 1jg0 h ASN 117 CO -0.04 0.68 -0.17 1.56 -1.06 0.00 0.00 177.43 178.40 1jg0 h GLN 118 N 0.61 0.90 0.00 0.81 4.20 -0.67 0.12 115.11 121.08 1jg0 h GLN 118 Ca 0.13 -0.38 -0.06 0.00 0.06 0.00 0.00 58.65 58.40 1jg0 h GLN 118 Cb 0.39 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1jg0 h GLN 118 CO 0.01 1.03 -0.28 -0.07 -0.67 0.00 0.00 178.83 178.86 1jg0 h LEU 119 N 0.73 0.00 0.05 1.46 3.38 -0.86 0.19 115.31 120.27 1jg0 h LEU 119 Ca 0.10 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.82 1jg0 h LEU 119 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1jg0 h LEU 119 CO 0.06 0.28 -1.39 0.11 0.09 0.00 0.00 178.44 177.58 1jg0 h LYS 120 N 0.00 0.11 0.11 1.13 1.57 -1.28 -3.35 116.57 114.86 1jg0 h LYS 120 Ca -0.00 -0.19 -0.32 0.00 -1.87 0.00 0.00 60.65 58.26 1jg0 h LYS 120 Cb 0.51 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1jg0 h LYS 120 CO 0.04 1.09 -1.71 -0.91 -0.57 0.00 0.00 179.45 177.38 1jg0 h ASN 121 N -0.61 0.35 -1.88 0.86 -0.26 -0.80 -3.42 115.58 109.81 1jg0 h ASN 121 Ca -0.34 -0.60 -0.49 0.00 -0.56 0.00 0.00 56.30 54.32 1jg0 h ASN 121 Cb 1.55 -0.11 -0.38 0.00 -1.06 0.00 0.00 38.32 38.31 1jg0 h ASN 121 CO -0.08 1.52 -1.13 -0.67 -1.06 0.00 0.00 177.43 176.01 1jg0 n ASP 122 N -3.40 0.44 0.06 5.81 2.03 0.56 -4.98 116.55 117.06 1jg0 n ASP 122 Ca -0.22 -2.95 0.04 0.00 0.52 0.00 0.00 54.79 52.18 1jg0 n ASP 122 Cb 1.05 -0.48 0.19 0.00 -0.72 0.00 0.00 41.12 41.16 1jg0 n ASP 122 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jg0 n PRO 123 N 0.64 0.04 0.00 -0.67 -0.04 -0.47 -1.83 135.00 132.68 1jg0 n PRO 123 Ca 0.23 0.52 0.12 0.00 -0.04 0.00 0.00 63.50 64.33 1jg0 n PRO 123 Cb 0.62 -1.69 0.24 0.00 -0.04 0.00 0.00 33.50 32.63 1jg0 n PRO 123 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1jg0 n ASP 124 N -1.72 1.20 -4.64 3.54 8.00 -1.26 -3.94 116.55 117.73 1jg0 n ASP 124 Ca -0.00 -0.97 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 1jg0 n ASP 124 Cb 0.06 0.28 -0.00 0.00 -0.02 0.00 0.00 41.12 41.44 1jg0 n ASP 124 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1jg0 n SER 125 N -0.66 1.78 -1.89 -2.24 2.88 -0.76 -4.89 113.62 107.84 1jg0 n SER 125 Ca 0.10 1.13 0.02 0.00 -1.33 0.00 0.00 58.87 58.79 1jg0 n SER 125 Cb 0.37 -1.38 0.36 0.00 -0.75 0.00 0.00 64.21 62.81 1jg0 n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1jg0 n ARG 126 N 0.41 4.34 -2.77 -1.46 1.74 -1.26 -4.38 116.66 113.28 1jg0 n ARG 126 Ca 0.08 -3.13 -0.03 0.00 -0.77 0.00 0.00 57.85 54.00 1jg0 n ARG 126 Cb 0.36 -2.23 0.06 0.00 -1.02 0.00 0.00 32.46 29.63 1jg0 n ARG 126 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1jg0 n ARG 127 N 0.25 1.52 -3.00 5.56 1.85 -1.26 -4.99 116.66 116.57 1jg0 n ARG 127 Ca 0.33 -3.11 -0.44 0.00 -1.00 0.00 0.00 57.85 53.62 1jg0 n ARG 127 Cb 1.27 -1.22 -0.03 0.00 -1.05 0.00 0.00 32.46 31.43 1jg0 n ARG 127 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1jg0 s ILE 128 N -3.01 4.88 0.06 8.89 1.01 -1.26 -4.97 121.20 126.80 1jg0 s ILE 128 Ca 0.25 -1.69 0.05 0.00 0.00 0.00 0.00 60.65 59.26 1jg0 s ILE 128 Cb 0.37 -4.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.11 1jg0 s ILE 128 CO -0.03 -1.41 -0.14 -0.63 0.00 0.00 0.00 174.94 172.73 1jg0 s ILE 129 N 2.26 1.10 -0.12 2.92 1.01 -1.26 -1.18 121.20 125.93 1jg0 s ILE 129 Ca 0.29 -1.17 0.00 0.00 0.00 0.00 0.00 60.65 59.78 1jg0 s ILE 129 Cb -0.07 -1.03 0.02 0.00 0.01 0.00 0.00 42.46 41.39 1jg0 s ILE 129 CO -0.08 -0.13 -0.11 -0.69 0.00 0.00 0.00 174.94 173.92 1jg0 s VAL 130 N -1.09 1.28 -0.04 2.92 1.01 -0.22 -4.89 120.40 119.38 1jg0 s VAL 130 Ca -0.01 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1jg0 s VAL 130 Cb -0.09 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.04 1jg0 s VAL 130 CO 0.02 0.41 -0.23 -0.55 0.00 0.00 0.00 175.10 174.74 1jg0 s SER 131 N 1.39 3.29 0.00 3.32 0.15 -1.26 -1.04 113.70 119.55 1jg0 s SER 131 Ca 0.01 -0.42 0.16 0.00 0.70 0.00 0.00 55.95 56.40 1jg0 s SER 131 Cb -0.13 -0.58 0.07 0.00 -1.71 0.00 0.00 66.02 63.67 1jg0 s SER 131 CO -0.06 0.31 0.93 0.00 1.20 0.00 0.00 173.24 175.61 1jg0 n ALA 132 N 2.54 2.74 -2.36 5.45 0.00 -0.49 -4.65 120.51 123.75 1jg0 n ALA 132 Ca -0.17 -0.58 -0.43 0.00 0.00 0.00 0.00 53.44 52.26 1jg0 n ALA 132 Cb 0.51 -0.54 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1jg0 n ALA 132 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1jg0 n TRP 133 N 0.48 3.77 -2.88 0.00 -0.00 -1.19 -4.86 117.44 112.76 1jg0 n TRP 133 Ca 0.08 -2.97 -0.43 0.00 -0.00 0.00 0.00 57.50 54.18 1jg0 n TRP 133 Cb 0.37 -2.25 -0.03 0.00 -0.00 0.00 0.00 31.31 29.40 1jg0 n TRP 133 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1jg0 s ASN 134 N 2.33 6.40 0.31 5.87 3.04 -1.26 -4.89 114.94 126.73 1jg0 s ASN 134 Ca 0.44 -1.50 0.06 0.00 0.04 0.00 0.00 52.86 51.90 1jg0 s ASN 134 Cb 0.07 -2.42 0.74 0.00 -1.54 0.00 0.00 41.25 38.11 1jg0 s ASN 134 CO -0.01 -1.27 1.78 0.58 -3.04 0.00 0.00 177.10 175.14 1jg0 h VAL 135 N 5.96 0.71 0.00 -5.21 2.07 -2.01 -0.74 116.25 117.03 1jg0 h VAL 135 Ca -0.06 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1jg0 h VAL 135 Cb 1.05 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1jg0 h VAL 135 CO 1.16 0.14 0.00 0.61 0.02 0.00 0.00 177.57 179.50 1jg0 n GLY 136 N -1.34 -1.23 0.10 2.17 0.00 -1.26 -3.21 105.19 100.43 1jg0 n GLY 136 Ca 0.23 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 46.25 1jg0 n GLY 136 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jg0 n GLU 137 N -1.79 0.83 -0.30 1.61 1.02 -0.34 -4.73 120.64 116.94 1jg0 n GLU 137 Ca 0.04 -0.55 0.11 0.00 -0.02 0.00 0.00 57.16 56.75 1jg0 n GLU 137 Cb 0.24 -0.97 0.28 0.00 -0.02 0.00 0.00 31.44 30.97 1jg0 n GLU 137 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1jg0 h LEU 138 N 0.50 0.31 -2.11 -4.62 3.38 -1.37 0.15 115.31 111.55 1jg0 h LEU 138 Ca 0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1jg0 h LEU 138 Cb 0.12 0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1jg0 h LEU 138 CO 0.00 0.02 0.00 -2.24 0.09 0.00 0.00 178.44 176.31 1jg0 h ASP 139 N 0.41 0.00 0.25 -0.43 2.03 -1.85 -2.28 116.42 114.55 1jg0 h ASP 139 Ca 0.53 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.83 1jg0 h ASP 139 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1jg0 h ASP 139 CO -0.51 0.00 -0.85 0.29 -1.03 0.00 0.00 179.24 177.14 1jg0 n LYS 140 N -2.95 0.06 -2.74 4.15 5.02 0.03 -4.95 118.16 116.78 1jg0 n LYS 140 Ca -0.01 -0.01 -0.34 0.00 -2.02 0.00 0.00 58.31 55.93 1jg0 n LYS 140 Cb 0.17 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.60 1jg0 n LYS 140 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1jg0 s MET 141 N -3.04 4.19 0.44 1.97 -1.94 -0.86 -4.30 119.30 115.75 1jg0 s MET 141 Ca 0.08 1.22 0.23 0.00 -1.71 0.00 0.00 55.69 55.51 1jg0 s MET 141 Cb 0.16 -2.26 0.90 0.00 2.01 0.00 0.00 34.83 35.64 1jg0 s MET 141 CO 0.80 -0.08 1.82 0.00 -0.01 0.00 0.00 175.02 177.55 1jg0 h ALA 142 N 2.03 1.02 -2.59 3.03 0.00 -1.30 -3.44 119.26 118.01 1jg0 h ALA 142 Ca -0.49 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 1jg0 h ALA 142 Cb 1.19 -0.04 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 1jg0 h ALA 142 CO 0.61 0.30 -0.21 -1.17 0.00 0.00 0.00 179.25 178.78 1jg0 s LEU 143 N -6.81 0.47 0.06 0.00 2.96 -1.26 -5.05 118.68 109.06 1jg0 s LEU 143 Ca 0.01 0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 54.18 1jg0 s LEU 143 Cb 0.10 1.47 -0.06 0.00 0.50 0.00 0.00 46.19 48.20 1jg0 s LEU 143 CO 0.64 -0.29 1.18 0.00 -1.32 0.00 0.00 176.35 176.56 1jg0 s ALA 144 N -0.43 3.37 0.16 5.97 0.00 -1.26 -4.94 121.76 124.64 1jg0 s ALA 144 Ca -0.06 0.83 -0.34 0.00 0.00 0.00 0.00 51.96 52.39 1jg0 s ALA 144 Cb -0.03 -3.43 -0.15 0.00 0.00 0.00 0.00 23.12 19.50 1jg0 s ALA 144 CO 0.03 -0.41 1.37 -2.30 0.00 0.00 0.00 175.76 174.45 1jg0 n PRO 145 N 3.82 1.63 -0.09 0.00 -0.02 -1.26 -4.91 135.00 134.17 1jg0 n PRO 145 Ca 0.08 0.58 -0.18 0.00 -2.02 0.00 0.00 63.50 61.97 1jg0 n PRO 145 Cb 0.47 -2.23 -0.11 0.00 -0.02 0.00 0.00 33.50 31.61 1jg0 n PRO 145 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jg0 s HIS 147 N -2.29 3.23 -0.34 0.00 3.76 -1.26 -1.54 115.29 116.85 1jg0 s HIS 147 Ca -0.24 -1.60 0.25 0.00 -0.15 0.00 0.00 55.06 53.32 1jg0 s HIS 147 Cb 0.03 -4.29 0.54 0.00 1.11 0.00 0.00 32.58 29.96 1jg0 s HIS 147 CO 0.59 -1.46 1.68 0.00 -0.85 0.00 0.00 174.74 174.70 1jg0 h ALA 148 N 8.37 1.00 -1.57 -1.40 0.00 -1.67 -3.44 119.26 120.54 1jg0 h ALA 148 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1jg0 h ALA 148 Cb 0.98 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.51 1jg0 h ALA 148 CO 1.14 0.00 0.45 0.12 0.00 0.00 0.00 179.25 180.96 1jg0 s PHE 149 N -3.29 -0.48 0.02 0.00 2.19 -1.22 -1.39 117.98 113.79 1jg0 s PHE 149 Ca 0.06 1.13 0.00 0.00 0.33 0.00 0.00 56.93 58.45 1jg0 s PHE 149 Cb 0.06 0.37 -0.02 0.00 -1.31 0.00 0.00 43.02 42.12 1jg0 s PHE 149 CO 0.65 -0.23 -0.03 -0.59 1.83 0.00 0.00 175.22 176.84 1jg0 s PHE 150 N 0.44 0.25 0.03 10.12 -0.71 -0.21 -0.83 117.98 127.07 1jg0 s PHE 150 Ca 0.01 -0.48 0.05 0.00 -1.04 0.00 0.00 56.93 55.47 1jg0 s PHE 150 Cb -0.05 -0.18 -0.02 0.00 -1.21 0.00 0.00 43.02 41.56 1jg0 s PHE 150 CO -0.08 -0.17 -0.15 -1.14 -1.34 0.00 0.00 175.22 172.34 1jg0 s GLN 151 N -1.33 1.05 0.26 1.99 0.74 0.03 -1.06 119.66 121.34 1jg0 s GLN 151 Ca -0.14 -0.73 0.08 0.00 0.05 0.00 0.00 55.36 54.62 1jg0 s GLN 151 Cb -0.09 -1.06 -0.04 0.00 1.10 0.00 0.00 33.01 32.92 1jg0 s GLN 151 CO -0.01 0.27 0.16 -0.06 -0.55 0.00 0.00 175.29 175.10 1jg0 s PHE 152 N -0.73 3.01 -0.07 1.67 0.08 -0.33 -0.14 117.98 121.48 1jg0 s PHE 152 Ca 0.03 -0.14 -0.21 0.00 0.12 0.00 0.00 56.93 56.73 1jg0 s PHE 152 Cb -0.07 -1.37 0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1jg0 s PHE 152 CO 0.01 0.53 0.48 -0.47 -0.10 0.00 0.00 175.22 175.67 1jg0 s TYR 153 N -2.18 -0.43 -0.07 0.36 5.04 -0.51 -4.56 117.35 115.01 1jg0 s TYR 153 Ca 0.33 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.79 1jg0 s TYR 153 Cb -0.07 0.22 0.02 0.00 0.35 0.00 0.00 41.96 42.47 1jg0 s TYR 153 CO 0.24 -0.43 -0.09 0.08 -1.34 0.00 0.00 175.55 174.01 1jg0 s VAL 154 N -0.88 0.93 -0.11 3.14 1.01 -1.25 -0.24 120.40 122.99 1jg0 s VAL 154 Ca -0.09 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 1jg0 s VAL 154 Cb -0.03 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.51 1jg0 s VAL 154 CO 0.05 0.32 0.26 0.00 0.00 0.00 0.00 175.10 175.73 1jg0 s ALA 155 N 0.90 -0.59 -1.35 5.51 0.00 -0.89 -4.85 121.76 120.49 1jg0 s ALA 155 Ca -0.11 1.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.87 1jg0 s ALA 155 Cb -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1jg0 s ALA 155 CO 0.01 -0.27 0.56 -0.25 0.00 0.00 0.00 175.76 175.81 1jg0 n ASP 156 N 4.42 -0.74 -0.90 0.00 8.00 -1.26 -1.36 116.55 124.71 1jg0 n ASP 156 Ca -0.22 -0.91 -0.12 0.00 0.71 0.00 0.00 54.79 54.25 1jg0 n ASP 156 Cb 0.53 -3.59 -0.05 0.00 -0.02 0.00 0.00 41.12 37.99 1jg0 n ASP 156 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jg0 n GLY 157 N -1.77 1.16 3.39 0.44 0.00 -1.26 -4.97 105.19 102.18 1jg0 n GLY 157 Ca -0.31 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 1jg0 n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jg0 s LYS 158 N -2.92 2.89 -0.28 1.61 1.02 -0.47 -0.38 119.74 121.23 1jg0 s LYS 158 Ca 0.00 -0.73 -0.14 0.00 0.02 0.00 0.00 55.97 55.12 1jg0 s LYS 158 Cb 0.00 -2.45 -0.04 0.00 -0.52 0.00 0.00 37.83 34.82 1jg0 s LYS 158 CO 0.00 0.40 0.33 -1.17 -0.92 0.00 0.00 175.35 174.00 1jg0 s LEU 159 N -0.16 4.06 0.26 3.17 2.96 0.73 -2.10 118.68 127.60 1jg0 s LEU 159 Ca -0.01 0.19 0.08 0.00 -0.22 0.00 0.00 54.13 54.16 1jg0 s LEU 159 Cb -0.14 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 1jg0 s LEU 159 CO 0.03 -0.17 0.13 -0.44 -1.32 0.00 0.00 176.35 174.58 1jg0 s SER 160 N 1.67 5.19 -0.15 3.68 0.01 0.66 0.75 113.70 125.51 1jg0 s SER 160 Ca 0.13 -0.38 -0.11 0.00 1.31 0.00 0.00 55.95 56.90 1jg0 s SER 160 Cb -0.16 -1.21 0.04 0.00 0.21 0.00 0.00 66.02 64.90 1jg0 s SER 160 CO 0.10 -0.02 0.38 0.00 0.41 0.00 0.00 173.24 174.11 1jg0 s GLN 162 N 0.70 3.05 -0.07 0.00 0.74 0.79 0.18 119.66 125.05 1jg0 s GLN 162 Ca -0.04 -0.85 0.01 0.00 0.05 0.00 0.00 55.36 54.53 1jg0 s GLN 162 Cb -0.05 -2.34 -0.03 0.00 1.10 0.00 0.00 33.01 31.69 1jg0 s GLN 162 CO -0.05 0.21 -0.06 -1.17 -0.55 0.00 0.00 175.29 173.67 1jg0 s LEU 163 N 0.27 3.22 -0.26 3.68 2.96 -0.30 -0.79 118.68 127.46 1jg0 s LEU 163 Ca -0.16 -0.01 -0.06 0.00 -0.22 0.00 0.00 54.13 53.69 1jg0 s LEU 163 Cb -0.17 -1.71 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 1jg0 s LEU 163 CO 0.08 0.36 0.03 -0.47 -1.32 0.00 0.00 176.35 175.03 1jg0 s TYR 164 N -0.83 3.08 -0.29 5.38 5.04 -0.01 -1.26 117.35 128.47 1jg0 s TYR 164 Ca 0.13 -0.93 -0.06 0.00 -2.44 0.00 0.00 57.07 53.77 1jg0 s TYR 164 Cb -0.11 -2.19 0.02 0.00 0.35 0.00 0.00 41.96 40.03 1jg0 s TYR 164 CO 0.02 -0.55 0.05 -1.14 -1.34 0.00 0.00 175.55 172.59 1jg0 s GLN 165 N 1.50 2.97 0.37 4.97 0.74 0.68 -2.34 119.66 128.55 1jg0 s GLN 165 Ca 0.04 -0.93 0.13 0.00 0.05 0.00 0.00 55.36 54.65 1jg0 s GLN 165 Cb -0.16 -3.29 0.72 0.00 1.10 0.00 0.00 33.01 31.38 1jg0 s GLN 165 CO 0.00 -0.46 1.82 0.07 -0.55 0.00 0.00 175.29 176.17 1jg0 h ARG 166 N 8.18 0.00 -3.38 1.67 0.11 -1.57 0.13 114.38 119.51 1jg0 h ARG 166 Ca -0.30 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.55 1jg0 h ARG 166 Cb 1.12 0.00 -0.30 0.00 1.11 0.00 0.00 29.97 31.90 1jg0 h ARG 166 CO 0.59 0.38 -0.61 0.45 0.10 0.00 0.00 179.97 180.88 1jg0 s SER 167 N -6.88 -0.09 -0.07 0.08 0.15 -1.26 -1.19 113.70 104.42 1jg0 s SER 167 Ca -0.03 0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.83 1jg0 s SER 167 Cb 0.14 0.18 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 1jg0 s SER 167 CO 0.72 -0.09 0.11 0.00 1.20 0.00 0.00 173.24 175.18 1jg0 s ASP 169 N 2.23 6.25 0.20 0.00 -1.08 -1.26 -0.86 116.67 122.15 1jg0 s ASP 169 Ca 0.04 -0.57 -0.11 0.00 -0.52 0.00 0.00 52.55 51.40 1jg0 s ASP 169 Cb -0.12 -2.47 0.19 0.00 -1.46 0.00 0.00 42.92 39.06 1jg0 s ASP 169 CO -0.05 -1.46 1.82 0.58 0.52 0.00 0.00 175.17 176.59 1jg0 h VAL 170 N 6.02 1.04 -0.01 1.11 2.07 -1.35 -0.80 116.25 124.32 1jg0 h VAL 170 Ca -0.27 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 1jg0 h VAL 170 Cb 1.07 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1jg0 h VAL 170 CO 1.17 0.13 -0.17 0.15 0.02 0.00 0.00 177.57 178.88 1jg0 h PHE 171 N 0.74 0.18 0.06 1.57 3.04 -1.91 -3.35 116.94 117.27 1jg0 h PHE 171 Ca 0.27 -0.09 -0.28 0.00 3.98 0.00 0.00 57.97 61.84 1jg0 h PHE 171 Cb 0.08 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.55 1jg0 h PHE 171 CO -0.06 0.87 -1.52 1.25 -2.02 0.00 0.00 178.31 176.83 1jg0 h LEU 172 N -0.56 0.21 0.07 0.59 5.85 -1.95 -3.44 115.31 116.08 1jg0 h LEU 172 Ca -0.02 -0.73 -0.26 0.00 0.84 0.00 0.00 57.88 57.71 1jg0 h LEU 172 Cb 0.92 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 1jg0 h LEU 172 CO 0.03 1.64 -1.36 1.23 -0.34 0.00 0.00 178.44 179.64 1jg0 h GLY 173 N -0.09 0.17 -0.21 3.75 0.00 -1.42 -3.42 103.07 101.85 1jg0 h GLY 173 Ca -0.36 -0.43 0.20 0.00 0.00 0.00 0.00 47.33 46.75 1jg0 h GLY 173 CO -0.06 0.37 0.30 -2.00 0.00 0.00 0.00 176.54 175.15 1jg0 h LEU 174 N -0.53 0.17 -1.15 3.11 5.85 -1.41 -1.33 115.31 120.03 1jg0 h LEU 174 Ca -0.32 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1jg0 h LEU 174 Cb 1.60 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 42.76 1jg0 h LEU 174 CO -0.03 -0.04 0.58 -0.65 -0.34 0.00 0.00 178.44 177.96 1jg0 h PRO 175 N 0.33 1.11 -0.12 5.25 0.11 -1.80 -1.09 132.00 135.79 1jg0 h PRO 175 Ca 0.51 -0.07 -0.19 0.00 0.11 0.00 0.00 66.00 66.37 1jg0 h PRO 175 Cb 0.96 -0.25 0.01 0.00 0.11 0.00 0.00 31.00 31.83 1jg0 h PRO 175 CO -0.55 0.73 -0.67 0.74 -0.21 0.00 0.00 178.00 178.05 1jg0 h PHE 176 N 1.14 0.90 -0.82 0.65 0.04 -1.56 -2.87 116.94 114.43 1jg0 h PHE 176 Ca 0.33 -0.41 0.02 0.00 2.80 0.00 0.00 57.97 60.72 1jg0 h PHE 176 Cb -0.06 -0.14 -0.05 0.00 2.20 0.00 0.00 35.95 37.91 1jg0 h PHE 176 CO -0.00 1.22 0.53 -0.91 -0.60 0.00 0.00 178.31 178.55 1jg0 h ASN 177 N 0.33 0.89 -0.40 2.17 -0.26 -0.86 -0.28 115.58 117.17 1jg0 h ASN 177 Ca -0.05 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.65 1jg0 h ASN 177 Cb 1.31 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 38.34 1jg0 h ASN 177 CO 0.14 0.62 0.12 0.40 -1.06 0.00 0.00 177.43 177.65 1jg0 h ILE 178 N 1.05 1.22 -0.68 2.81 2.04 -1.23 -2.86 117.51 119.86 1jg0 h ILE 178 Ca 0.32 -0.73 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1jg0 h ILE 178 Cb -0.03 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 1jg0 h ILE 178 CO -0.10 0.26 0.12 0.00 0.00 0.00 0.00 178.15 178.42 1jg0 h ALA 179 N 0.97 0.92 0.00 1.87 0.00 -1.20 -0.13 119.26 121.69 1jg0 h ALA 179 Ca 0.13 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1jg0 h ALA 179 Cb 0.27 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1jg0 h ALA 179 CO -0.00 0.67 -0.13 0.77 0.00 0.00 0.00 179.25 180.55 1jg0 h SER 180 N 1.04 -0.38 0.55 0.00 0.02 -0.98 -0.43 113.55 113.38 1jg0 h SER 180 Ca 0.21 0.06 -0.15 0.00 -0.84 0.00 0.00 61.79 61.06 1jg0 h SER 180 Cb 0.43 0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.12 1jg0 h SER 180 CO 0.01 -0.19 -0.69 1.88 -1.14 0.00 0.00 176.83 176.70 1jg0 h TYR 181 N -0.22 0.16 -0.74 3.45 0.05 -1.43 -1.98 116.97 116.26 1jg0 h TYR 181 Ca 0.05 -0.07 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1jg0 h TYR 181 Cb 0.28 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 1jg0 h TYR 181 CO -0.19 0.77 0.31 0.00 -1.05 0.00 0.00 178.16 177.99 1jg0 h ALA 182 N 1.21 0.96 0.05 3.88 0.00 -0.77 -1.14 119.26 123.45 1jg0 h ALA 182 Ca -0.01 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1jg0 h ALA 182 Cb 1.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jg0 h ALA 182 CO 0.10 0.58 -0.03 1.25 0.00 0.00 0.00 179.25 181.15 1jg0 h LEU 183 N 1.06 -0.06 -1.02 0.00 6.46 -0.88 -2.26 115.31 118.60 1jg0 h LEU 183 Ca 0.25 -0.01 0.08 0.00 -0.12 0.00 0.00 57.88 58.08 1jg0 h LEU 183 Cb 0.20 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.07 1jg0 h LEU 183 CO -0.02 -0.03 0.64 0.25 -0.62 0.00 0.00 178.44 178.66 1jg0 h LEU 184 N -0.08 1.00 -0.29 2.25 5.85 -1.01 -1.29 115.31 121.74 1jg0 h LEU 184 Ca -0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1jg0 h LEU 184 Cb 0.06 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1jg0 h LEU 184 CO 0.01 0.61 0.17 0.58 -0.34 0.00 0.00 178.44 179.48 1jg0 h VAL 185 N 1.12 1.11 -0.63 1.05 2.07 -0.90 0.08 116.25 120.14 1jg0 h VAL 185 Ca 0.45 -0.25 0.05 0.00 0.82 0.00 0.00 66.70 67.76 1jg0 h VAL 185 Cb 0.26 0.75 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 1jg0 h VAL 185 CO -0.20 0.10 0.36 0.45 0.02 0.00 0.00 177.57 178.31 1jg0 h HIS 186 N 0.37 0.67 -0.58 1.57 3.86 -0.78 0.28 115.15 120.54 1jg0 h HIS 186 Ca 0.10 0.02 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1jg0 h HIS 186 Cb 0.02 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.25 1jg0 h HIS 186 CO -0.04 0.35 0.17 0.52 0.86 0.00 0.00 177.93 179.78 1jg0 h MET 187 N 0.69 0.91 -0.09 2.45 2.07 -0.87 -0.80 114.93 119.28 1jg0 h MET 187 Ca 0.27 -0.20 -0.01 0.00 -2.07 0.00 0.00 59.70 57.69 1jg0 h MET 187 Cb 0.12 -0.13 -0.00 0.00 -1.87 0.00 0.00 31.60 29.72 1jg0 h MET 187 CO -0.15 0.82 0.01 0.52 1.07 0.00 0.00 176.91 179.18 1jg0 h MET 188 N 0.82 0.15 -0.41 1.72 2.86 -0.52 -1.84 114.93 117.71 1jg0 h MET 188 Ca 0.19 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1jg0 h MET 188 Cb 0.30 -0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 1jg0 h MET 188 CO -0.00 0.37 0.02 0.00 1.06 0.00 0.00 176.91 178.36 1jg0 h ALA 189 N 0.77 0.40 -0.11 6.32 0.00 -0.32 -2.19 119.26 124.12 1jg0 h ALA 189 Ca 0.03 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1jg0 h ALA 189 Cb 0.30 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jg0 h ALA 189 CO 0.00 -0.37 -0.01 0.37 0.00 0.00 0.00 179.25 179.24 1jg0 h GLN 190 N 0.14 0.03 0.00 0.00 4.15 -1.04 -0.20 115.11 118.18 1jg0 h GLN 190 Ca 0.20 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1jg0 h GLN 190 Cb 0.28 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.96 1jg0 h GLN 190 CO -0.32 0.02 0.00 1.04 -1.93 0.00 0.00 178.83 177.64 1jg0 n GLN 191 N -5.13 0.08 -0.04 1.69 1.13 -0.70 -1.68 117.38 112.74 1jg0 n GLN 191 Ca -0.04 0.54 0.02 0.00 -1.94 0.00 0.00 57.00 55.58 1jg0 n GLN 191 Cb 0.07 -1.75 0.04 0.00 0.11 0.00 0.00 30.24 28.72 1jg0 n GLN 191 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jg0 n ASP 193 N -0.60 -4.54 -4.76 0.00 9.92 -0.46 -4.96 116.55 111.14 1jg0 n ASP 193 Ca 0.04 -0.42 -0.22 0.00 -0.53 0.00 0.00 54.79 53.66 1jg0 n ASP 193 Cb 0.35 -3.70 -0.05 0.00 -0.64 0.00 0.00 41.12 37.07 1jg0 n ASP 193 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1jg0 s LEU 194 N -6.66 3.53 0.59 0.64 1.43 -0.21 -5.03 118.68 112.97 1jg0 s LEU 194 Ca 0.41 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1jg0 s LEU 194 Cb -0.21 -2.06 0.03 0.00 0.03 0.00 0.00 46.19 43.98 1jg0 s LEU 194 CO 0.51 -0.10 0.86 -1.61 0.23 0.00 0.00 176.35 176.24 1jg0 s GLU 195 N -3.81 2.64 -0.07 1.70 0.41 0.49 -4.31 118.70 115.76 1jg0 s GLU 195 Ca 0.34 -0.35 -0.19 0.00 -0.41 0.00 0.00 54.97 54.36 1jg0 s GLU 195 Cb -0.06 -2.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.90 1jg0 s GLU 195 CO 0.23 -0.79 0.53 0.14 -0.49 0.00 0.00 175.26 174.89 1jg0 s VAL 196 N -2.94 5.09 0.00 2.63 -7.23 -1.26 -0.20 120.40 116.49 1jg0 s VAL 196 Ca 0.56 1.08 0.00 0.00 -1.81 0.00 0.00 61.98 61.81 1jg0 s VAL 196 Cb -0.10 -3.87 0.00 0.00 0.56 0.00 0.00 36.38 32.97 1jg0 s VAL 196 CO 0.42 0.36 0.00 0.61 -0.31 0.00 0.00 175.10 176.18 1jg0 n GLY 197 N 2.91 0.54 3.71 2.32 0.00 0.23 -4.35 105.19 110.56 1jg0 n GLY 197 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1jg0 n GLY 197 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jg0 s ASP 198 N -1.00 5.29 -0.28 1.61 1.01 -1.26 -1.47 116.67 120.57 1jg0 s ASP 198 Ca 0.00 0.04 -0.09 0.00 0.71 0.00 0.00 52.55 53.21 1jg0 s ASP 198 Cb 0.00 -1.43 -0.02 0.00 1.01 0.00 0.00 42.92 42.48 1jg0 s ASP 198 CO 0.00 0.28 0.12 0.12 0.21 0.00 0.00 175.17 175.90 1jg0 s PHE 199 N -1.12 3.15 -0.26 4.23 5.36 0.91 -1.10 117.98 129.16 1jg0 s PHE 199 Ca 0.20 -0.46 -0.09 0.00 -0.96 0.00 0.00 56.93 55.62 1jg0 s PHE 199 Cb -0.12 -2.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.21 1jg0 s PHE 199 CO 0.11 -0.40 0.13 0.08 -1.46 0.00 0.00 175.22 173.68 1jg0 s VAL 200 N 1.62 4.79 -0.23 3.12 1.01 0.13 -0.30 120.40 130.54 1jg0 s VAL 200 Ca 0.05 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.94 1jg0 s VAL 200 Cb -0.16 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.92 1jg0 s VAL 200 CO 0.06 0.30 0.11 0.86 0.00 0.00 0.00 175.10 176.43 1jg0 s TRP 201 N 1.63 3.21 -0.08 5.22 -0.00 0.21 -1.15 118.94 127.99 1jg0 s TRP 201 Ca 0.07 -0.03 0.04 0.00 -0.00 0.00 0.00 56.10 56.17 1jg0 s TRP 201 Cb -0.15 -2.23 0.00 0.00 -0.00 0.00 0.00 33.47 31.09 1jg0 s TRP 201 CO 0.07 -0.08 -0.20 0.99 -0.00 0.00 0.00 176.95 177.73 1jg0 s THR 202 N 1.16 1.72 0.17 5.86 2.01 -0.39 -0.27 115.64 125.91 1jg0 s THR 202 Ca 0.06 -0.83 0.10 0.00 0.31 0.00 0.00 61.69 61.32 1jg0 s THR 202 Cb -0.14 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1jg0 s THR 202 CO 0.04 0.48 -0.21 -0.83 -0.69 0.00 0.00 174.62 173.42 1jg0 s GLY 203 N 0.33 1.52 0.00 4.40 0.00 -0.05 -0.23 107.32 113.30 1jg0 s GLY 203 Ca -0.14 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1jg0 s GLY 203 CO 0.06 -1.57 0.00 0.61 0.00 0.00 0.00 173.10 172.20 1jg0 n GLY 204 N 0.37 0.48 3.56 0.20 0.00 0.45 -2.25 105.19 107.99 1jg0 n GLY 204 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 1jg0 n GLY 204 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jg0 s ASP 205 N -1.00 5.70 -0.24 1.61 -1.08 -0.34 -1.39 116.67 119.94 1jg0 s ASP 205 Ca 0.00 0.21 -0.06 0.00 -0.52 0.00 0.00 52.55 52.18 1jg0 s ASP 205 Cb 0.00 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 1jg0 s ASP 205 CO 0.00 -2.06 0.02 -0.89 0.52 0.00 0.00 175.17 172.76 1jg0 s THR 206 N 7.50 3.87 0.16 1.71 2.01 -0.33 -0.52 115.64 130.04 1jg0 s THR 206 Ca 0.57 -0.38 -0.02 0.00 0.31 0.00 0.00 61.69 62.17 1jg0 s THR 206 Cb -0.12 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1jg0 s THR 206 CO 0.21 0.34 0.12 -1.38 -0.69 0.00 0.00 174.62 173.22 1jg0 s HIS 207 N 1.54 0.87 -0.10 4.92 -3.43 -0.04 -1.08 115.29 117.98 1jg0 s HIS 207 Ca 0.06 -1.20 0.02 0.00 -0.80 0.00 0.00 55.06 53.14 1jg0 s HIS 207 Cb -0.15 -0.43 0.01 0.00 -1.43 0.00 0.00 32.58 30.58 1jg0 s HIS 207 CO 0.01 -0.59 -0.17 -0.51 -2.00 0.00 0.00 174.74 171.47 1jg0 s LEU 208 N -3.07 1.83 0.41 5.38 1.43 -0.40 -0.78 118.68 123.48 1jg0 s LEU 208 Ca 0.27 -0.45 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 1jg0 s LEU 208 Cb 0.07 -1.15 -0.09 0.00 0.03 0.00 0.00 46.19 45.05 1jg0 s LEU 208 CO 0.05 0.05 1.06 -0.31 0.23 0.00 0.00 176.35 177.43 1jg0 s TYR 209 N 0.79 3.23 0.27 0.29 2.02 -1.26 -1.17 117.35 121.51 1jg0 s TYR 209 Ca -0.10 1.63 -0.01 0.00 -0.37 0.00 0.00 57.07 58.22 1jg0 s TYR 209 Cb -0.16 -3.14 0.48 0.00 -0.40 0.00 0.00 41.96 38.74 1jg0 s TYR 209 CO 0.01 -0.69 1.84 0.77 -1.57 0.00 0.00 175.55 175.91 1jg0 h SER 210 N 2.44 0.88 0.00 2.29 0.02 -1.68 -1.21 113.55 116.29 1jg0 h SER 210 Ca -0.48 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1jg0 h SER 210 Cb 1.22 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.62 1jg0 h SER 210 CO 0.62 0.50 0.00 -0.46 -1.14 0.00 0.00 176.83 176.35 1jg0 n ASN 211 N -4.63 0.03 -0.34 3.07 6.94 -1.26 -1.91 115.26 117.16 1jg0 n ASN 211 Ca 0.17 -1.49 0.03 0.00 -0.02 0.00 0.00 54.58 53.28 1jg0 n ASN 211 Cb 0.30 -0.02 0.06 0.00 -2.36 0.00 0.00 39.78 37.77 1jg0 n ASN 211 CO 0.00 0.00 0.00 1.41 -1.03 0.00 0.00 177.26 177.64 1jg0 n HIS 212 N -0.47 0.15 -0.16 -2.53 8.25 -0.46 -4.72 115.22 115.27 1jg0 n HIS 212 Ca 0.00 -0.26 -0.08 0.00 -0.26 0.00 0.00 57.72 57.12 1jg0 n HIS 212 Cb 0.01 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.10 1jg0 n HIS 212 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1jg0 h MET 213 N 1.31 0.68 -0.42 -0.41 2.86 -1.46 0.21 114.93 117.71 1jg0 h MET 213 Ca 0.00 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 1jg0 h MET 213 Cb 0.47 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 1jg0 h MET 213 CO 0.00 0.60 0.18 -0.44 1.06 0.00 0.00 176.91 178.32 1jg0 h ASP 214 N 0.60 0.57 -0.92 1.22 3.32 -1.84 -0.74 116.42 118.62 1jg0 h ASP 214 Ca 0.16 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1jg0 h ASP 214 Cb 0.16 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1jg0 h ASP 214 CO -0.02 0.56 0.53 1.56 -1.72 0.00 0.00 179.24 180.15 1jg0 h GLN 215 N 0.54 1.28 -0.16 3.56 7.50 -1.84 -0.46 115.11 125.52 1jg0 h GLN 215 Ca 0.14 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1jg0 h GLN 215 Cb 0.16 -0.26 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 1jg0 h GLN 215 CO -0.01 0.92 0.07 1.15 -1.50 0.00 0.00 178.83 179.45 1jg0 h THR 216 N 1.29 1.15 -0.60 -0.54 2.02 -0.13 -0.60 112.91 115.50 1jg0 h THR 216 Ca 0.33 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 67.07 1jg0 h THR 216 Cb -0.00 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1jg0 h THR 216 CO -0.06 0.14 0.39 0.45 0.37 0.00 0.00 175.52 176.82 1jg0 h HIS 217 N 0.11 0.74 -0.53 3.16 3.86 -0.84 0.15 115.15 121.81 1jg0 h HIS 217 Ca 0.05 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.33 1jg0 h HIS 217 Cb 0.16 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 28.34 1jg0 h HIS 217 CO -0.02 0.46 0.26 1.25 0.86 0.00 0.00 177.93 180.74 1jg0 h LEU 218 N 0.80 0.36 -0.68 2.43 5.85 -0.83 -2.14 115.31 121.10 1jg0 h LEU 218 Ca 0.22 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.86 1jg0 h LEU 218 Cb -0.08 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1jg0 h LEU 218 CO -0.06 0.25 -0.22 -0.61 -0.34 0.00 0.00 178.44 177.46 1jg0 h GLN 219 N 0.50 0.78 0.00 1.25 4.15 -0.31 -2.45 115.11 119.04 1jg0 h GLN 219 Ca 0.24 -0.32 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1jg0 h GLN 219 Cb 0.16 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 1jg0 h GLN 219 CO -0.17 0.93 -0.04 -0.07 -1.93 0.00 0.00 178.83 177.55 1jg0 h LEU 220 N 0.68 0.00 -1.28 -2.39 3.38 -0.15 -1.64 115.31 113.92 1jg0 h LEU 220 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1jg0 h LEU 220 Cb 0.74 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1jg0 h LEU 220 CO 0.06 0.04 0.00 -1.54 0.09 0.00 0.00 178.44 177.08 1jg0 n SER 221 N -3.38 1.81 -4.39 -0.43 3.41 -0.86 -4.86 113.62 104.92 1jg0 n SER 221 Ca -0.02 -2.12 -0.29 0.00 -0.26 0.00 0.00 58.87 56.17 1jg0 n SER 221 Cb 0.16 -0.32 -0.13 0.00 -0.26 0.00 0.00 64.21 63.65 1jg0 n SER 221 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1jg0 s ARG 222 N -1.64 1.56 -0.16 4.33 0.52 -0.62 -5.10 118.95 117.85 1jg0 s ARG 222 Ca 0.17 -1.26 -0.19 0.00 -0.52 0.00 0.00 55.73 53.92 1jg0 s ARG 222 Cb 0.11 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 1jg0 s ARG 222 CO 0.09 0.47 0.55 -1.21 0.02 0.00 0.00 175.30 175.22 1jg0 s GLU 223 N -1.87 4.27 0.53 3.54 0.41 -1.26 -5.00 118.70 119.31 1jg0 s GLU 223 Ca 0.14 0.52 -0.22 0.00 -0.41 0.00 0.00 54.97 55.01 1jg0 s GLU 223 Cb -0.10 -3.51 -0.06 0.00 -1.78 0.00 0.00 34.13 28.67 1jg0 s GLU 223 CO 0.06 -0.05 1.16 -2.30 -0.49 0.00 0.00 175.26 173.63 1jg0 n PRO 224 N 4.40 1.40 -4.25 0.39 -0.02 -1.26 -4.82 135.00 130.84 1jg0 n PRO 224 Ca -0.04 0.52 -0.26 0.00 -2.02 0.00 0.00 63.50 61.70 1jg0 n PRO 224 Cb 0.51 -2.33 -0.08 0.00 -0.02 0.00 0.00 33.50 31.58 1jg0 n PRO 224 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1jg0 s ARG 225 N -2.61 2.17 0.45 -0.52 0.52 -1.26 -5.06 118.95 112.64 1jg0 s ARG 225 Ca 0.70 -1.92 -0.23 0.00 -0.52 0.00 0.00 55.73 53.76 1jg0 s ARG 225 Cb -0.45 -1.90 -0.10 0.00 0.52 0.00 0.00 34.95 33.03 1jg0 s ARG 225 CO 0.51 -0.12 1.00 -2.30 0.02 0.00 0.00 175.30 174.41 1jg0 n PRO 226 N -1.19 1.29 -2.63 3.54 -0.02 -1.26 -4.89 135.00 129.83 1jg0 n PRO 226 Ca -0.02 0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 1jg0 n PRO 226 Cb 0.65 -2.07 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 1jg0 n PRO 226 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jg0 s LEU 227 N -0.76 4.23 0.00 2.45 1.43 -1.26 -4.75 118.68 120.01 1jg0 s LEU 227 Ca 0.65 1.97 -0.20 0.00 -1.03 0.00 0.00 54.13 55.52 1jg0 s LEU 227 Cb -0.53 -4.10 0.29 0.00 0.03 0.00 0.00 46.19 41.88 1jg0 s LEU 227 CO 0.55 -0.31 1.03 -0.81 0.23 0.00 0.00 176.35 177.04 1jg0 n PRO 228 N 0.21 -3.11 -4.68 1.29 -0.04 -1.26 -4.71 135.00 122.70 1jg0 n PRO 228 Ca 0.04 -1.66 -0.24 0.00 -0.04 0.00 0.00 63.50 61.60 1jg0 n PRO 228 Cb 0.50 -1.57 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1jg0 n PRO 228 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1jg0 s LYS 229 N -5.35 1.30 -0.06 0.54 -0.14 0.55 -1.48 119.74 115.11 1jg0 s LYS 229 Ca 0.68 -0.73 -0.13 0.00 -1.36 0.00 0.00 55.97 54.42 1jg0 s LYS 229 Cb -0.07 -1.31 -0.05 0.00 -1.68 0.00 0.00 37.83 34.72 1jg0 s LYS 229 CO 0.52 0.35 0.34 -1.17 -0.76 0.00 0.00 175.35 174.63 1jg0 s LEU 230 N -0.76 4.41 -0.09 3.17 1.98 -1.26 -0.49 118.68 125.64 1jg0 s LEU 230 Ca 0.06 0.79 0.02 0.00 -2.89 0.00 0.00 54.13 52.11 1jg0 s LEU 230 Cb -0.07 -2.46 0.01 0.00 0.66 0.00 0.00 46.19 44.33 1jg0 s LEU 230 CO 0.00 0.29 -0.17 -0.63 -1.89 0.00 0.00 176.35 173.96 1jg0 s ILE 231 N -0.73 1.53 -0.24 6.68 1.09 0.70 -4.98 121.20 125.25 1jg0 s ILE 231 Ca 0.21 -0.69 -0.05 0.00 -1.10 0.00 0.00 60.65 59.02 1jg0 s ILE 231 Cb -0.15 -1.37 -0.00 0.00 -1.06 0.00 0.00 42.46 39.87 1jg0 s ILE 231 CO 0.10 0.44 -0.01 -0.63 -0.10 0.00 0.00 174.94 174.75 1jg0 s ILE 232 N 0.71 3.56 -1.03 2.92 1.01 -1.26 -1.79 121.20 125.32 1jg0 s ILE 232 Ca -0.12 -0.54 0.14 0.00 0.00 0.00 0.00 60.65 60.13 1jg0 s ILE 232 Cb -0.16 -2.68 0.13 0.00 0.01 0.00 0.00 42.46 39.75 1jg0 s ILE 232 CO 0.03 0.33 1.45 0.29 0.00 0.00 0.00 174.94 177.04 1jg0 n LYS 233 N 4.81 0.01 -3.63 2.79 5.02 0.61 -4.88 118.16 122.90 1jg0 n LYS 233 Ca -0.17 0.25 -0.03 0.00 -2.02 0.00 0.00 58.31 56.34 1jg0 n LYS 233 Cb 0.50 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1jg0 n LYS 233 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1jg0 s ARG 234 N -2.97 0.63 -0.45 1.97 1.70 -1.26 -5.09 118.95 113.47 1jg0 s ARG 234 Ca 0.07 -0.31 -0.08 0.00 -0.47 0.00 0.00 55.73 54.94 1jg0 s ARG 234 Cb 0.09 0.24 0.11 0.00 -0.57 0.00 0.00 34.95 34.82 1jg0 s ARG 234 CO 0.26 -0.29 0.31 0.21 -1.08 0.00 0.00 175.30 174.71 1jg0 s LYS 235 N -2.74 2.43 0.94 3.89 2.20 -1.26 -5.08 119.74 120.12 1jg0 s LYS 235 Ca 0.11 -1.73 -0.11 0.00 -0.36 0.00 0.00 55.97 53.89 1jg0 s LYS 235 Cb 0.01 -3.85 0.14 0.00 -1.51 0.00 0.00 37.83 32.61 1jg0 s LYS 235 CO -0.03 -1.14 1.00 -2.30 -0.36 0.00 0.00 175.35 172.52 1jg0 n PRO 236 N 4.86 -0.54 0.32 4.03 -0.02 -1.26 -4.86 135.00 137.54 1jg0 n PRO 236 Ca -0.07 -0.10 0.22 0.00 -2.02 0.00 0.00 63.50 61.53 1jg0 n PRO 236 Cb 0.41 -2.27 1.12 0.00 -0.02 0.00 0.00 33.50 32.74 1jg0 n PRO 236 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1jg0 h GLU 237 N -1.89 0.00 -2.89 -0.52 4.81 -1.98 -3.45 114.58 108.66 1jg0 h GLU 237 Ca -0.44 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.86 1jg0 h GLU 237 Cb 1.28 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.62 1jg0 h GLU 237 CO 0.40 0.00 0.29 -1.54 -0.73 0.00 0.00 179.01 177.43 1jg0 s SER 238 N -5.20 -0.17 0.62 1.04 1.04 -1.26 -5.00 113.70 104.77 1jg0 s SER 238 Ca -0.04 -0.71 0.41 0.00 0.48 0.00 0.00 55.95 56.09 1jg0 s SER 238 Cb 0.12 0.72 2.07 0.00 0.10 0.00 0.00 66.02 69.03 1jg0 s SER 238 CO 0.43 -1.36 2.24 -0.29 0.98 0.00 0.00 173.24 175.23 1jg0 h ILE 239 N 2.00 0.00 -0.05 -1.02 6.09 -1.92 -2.42 117.51 120.19 1jg0 h ILE 239 Ca -0.23 -0.17 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 1jg0 h ILE 239 Cb 1.25 1.16 0.00 0.00 0.47 0.00 0.00 36.82 39.70 1jg0 h ILE 239 CO 0.28 0.00 0.00 0.49 -3.07 0.00 0.00 178.15 175.85 1jg0 n PHE 240 N -3.07 0.04 -1.28 2.19 3.72 -1.26 -4.33 117.46 113.48 1jg0 n PHE 240 Ca -0.02 -0.02 0.04 0.00 -0.05 0.00 0.00 57.45 57.40 1jg0 n PHE 240 Cb 0.15 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.89 1jg0 n PHE 240 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1jg0 n ASP 241 N 0.31 2.63 -4.87 4.37 9.92 -0.91 -4.96 116.55 123.05 1jg0 n ASP 241 Ca 0.18 -3.46 -0.31 0.00 -0.53 0.00 0.00 54.79 50.67 1jg0 n ASP 241 Cb 0.37 -0.55 0.02 0.00 -0.64 0.00 0.00 41.12 40.33 1jg0 n ASP 241 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1jg0 s TYR 242 N -3.06 3.52 0.08 1.24 1.51 -1.26 -4.81 117.35 114.57 1jg0 s TYR 242 Ca 0.40 1.22 0.05 0.00 -1.01 0.00 0.00 57.07 57.72 1jg0 s TYR 242 Cb 0.35 -2.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 1jg0 s TYR 242 CO 0.01 -0.85 -0.13 1.03 -1.11 0.00 0.00 175.55 174.50 1jg0 s ARG 243 N -5.23 0.81 0.33 -0.62 0.52 -1.26 -5.04 118.95 108.46 1jg0 s ARG 243 Ca 0.56 -1.00 0.11 0.00 -0.52 0.00 0.00 55.73 54.88 1jg0 s ARG 243 Cb -0.11 -0.71 1.01 0.00 0.52 0.00 0.00 34.95 35.65 1jg0 s ARG 243 CO 0.53 0.15 1.63 0.35 0.02 0.00 0.00 175.30 177.98 1jg0 h PHE 244 N 4.10 0.66 0.00 -0.53 3.57 -1.98 0.55 116.94 123.32 1jg0 h PHE 244 Ca -0.39 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.15 1jg0 h PHE 244 Cb 1.19 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.80 1jg0 h PHE 244 CO 0.64 -0.27 0.00 0.39 -2.23 0.00 0.00 178.31 176.84 1jg0 n GLU 245 N -5.18 0.20 0.18 1.11 4.71 -1.26 -3.00 120.64 117.40 1jg0 n GLU 245 Ca 0.29 0.43 0.14 0.00 -0.01 0.00 0.00 57.16 58.01 1jg0 n GLU 245 Cb 0.94 -1.88 0.60 0.00 -1.01 0.00 0.00 31.44 30.09 1jg0 n GLU 245 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 1jg0 h ASP 246 N 0.00 0.00 -3.32 1.62 3.32 -1.27 -3.44 116.42 113.33 1jg0 h ASP 246 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1jg0 h ASP 246 Cb 0.37 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.77 1jg0 h ASP 246 CO 0.00 0.00 -0.62 -0.36 -1.72 0.00 0.00 179.24 176.54 1jg0 s PHE 247 N -3.48 3.16 -0.20 4.55 0.08 -1.16 -0.28 117.98 120.65 1jg0 s PHE 247 Ca 0.02 0.19 -0.15 0.00 0.12 0.00 0.00 56.93 57.12 1jg0 s PHE 247 Cb 0.09 -1.79 0.06 0.00 -0.57 0.00 0.00 43.02 40.81 1jg0 s PHE 247 CO 0.40 0.47 0.50 -2.00 -0.10 0.00 0.00 175.22 174.49 1jg0 s GLU 248 N -0.88 0.54 -0.10 0.44 2.56 -0.74 -5.01 118.70 115.52 1jg0 s GLU 248 Ca 0.13 0.80 0.01 0.00 0.00 0.00 0.00 54.97 55.91 1jg0 s GLU 248 Cb -0.11 0.17 -0.02 0.00 2.00 0.00 0.00 34.13 36.16 1jg0 s GLU 248 CO 0.02 -0.11 -0.11 0.96 -0.56 0.00 0.00 175.26 175.46 1jg0 s ILE 249 N 0.81 3.29 0.29 -3.70 -4.36 -1.26 -0.22 121.20 116.05 1jg0 s ILE 249 Ca -0.04 -0.60 0.11 0.00 -0.26 0.00 0.00 60.65 59.85 1jg0 s ILE 249 Cb -0.05 -2.36 -0.05 0.00 1.25 0.00 0.00 42.46 41.25 1jg0 s ILE 249 CO -0.06 0.55 -0.15 -1.83 0.24 0.00 0.00 174.94 173.69 1jg0 s GLU 250 N -0.15 1.80 -0.96 0.37 -1.05 0.36 -4.72 118.70 114.35 1jg0 s GLU 250 Ca 0.00 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 53.07 1jg0 s GLU 250 Cb -0.13 -1.82 0.00 0.00 -0.44 0.00 0.00 34.13 31.74 1jg0 s GLU 250 CO 0.03 0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.94 1jg0 n GLY 251 N -0.70 0.86 3.55 -3.83 0.00 -1.26 -0.33 105.19 103.47 1jg0 n GLY 251 Ca -0.05 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.96 1jg0 n GLY 251 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1jg0 s TYR 252 N -2.38 3.06 -0.49 1.61 5.04 -1.26 -4.06 117.35 118.87 1jg0 s TYR 252 Ca 0.00 0.18 0.07 0.00 -2.44 0.00 0.00 57.07 54.88 1jg0 s TYR 252 Cb 0.00 -3.42 0.25 0.00 0.35 0.00 0.00 41.96 39.14 1jg0 s TYR 252 CO 0.00 -0.84 0.61 -3.47 -1.34 0.00 0.00 175.55 170.51 1jg0 n ASP 253 N 6.39 1.66 -4.80 4.32 2.03 -1.26 -5.07 116.55 119.81 1jg0 n ASP 253 Ca 0.00 -3.00 -0.29 0.00 0.52 0.00 0.00 54.79 52.02 1jg0 n ASP 253 Cb 0.48 -0.65 0.13 0.00 -0.72 0.00 0.00 41.12 40.36 1jg0 n ASP 253 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1jg0 s PRO 254 N -1.70 1.31 0.75 -0.67 0.04 -1.26 -4.93 135.00 128.53 1jg0 s PRO 254 Ca 0.37 0.29 -0.11 0.00 0.04 0.00 0.00 61.00 61.59 1jg0 s PRO 254 Cb 0.16 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.89 1jg0 s PRO 254 CO -0.07 -2.08 1.12 -1.01 0.04 0.00 0.00 177.00 175.00 1jg0 s HIS 255 N -3.31 3.10 0.36 0.56 3.76 0.04 -4.84 115.29 114.97 1jg0 s HIS 255 Ca 0.63 0.82 -0.28 0.00 -0.15 0.00 0.00 55.06 56.08 1jg0 s HIS 255 Cb -0.14 -3.27 -0.12 0.00 1.11 0.00 0.00 32.58 30.16 1jg0 s HIS 255 CO 0.53 -1.47 1.41 -0.35 -0.85 0.00 0.00 174.74 174.00 1jg0 n PRO 256 N -3.12 2.46 -1.40 8.40 -0.04 -1.26 -1.30 135.00 138.74 1jg0 n PRO 256 Ca 0.07 0.86 -0.36 0.00 -0.04 0.00 0.00 63.50 64.03 1jg0 n PRO 256 Cb 0.59 -2.53 0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1jg0 n PRO 256 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jg0 n GLY 257 N 0.58 -0.63 3.05 0.55 0.00 -1.26 -3.99 105.19 103.49 1jg0 n GLY 257 Ca 0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1jg0 n GLY 257 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jg0 s ILE 258 N -1.77 1.80 0.29 -0.61 1.01 -1.26 -4.86 121.20 115.79 1jg0 s ILE 258 Ca 0.73 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 60.19 1jg0 s ILE 258 Cb -0.36 -1.74 -0.09 0.00 0.01 0.00 0.00 42.46 40.28 1jg0 s ILE 258 CO 0.51 0.36 0.91 -0.54 0.00 0.00 0.00 174.94 176.17 1jg0 s LYS 259 N 1.37 4.58 -0.05 2.79 -0.14 -1.26 -5.07 119.74 121.96 1jg0 s LYS 259 Ca 0.02 1.29 -0.25 0.00 -1.36 0.00 0.00 55.97 55.66 1jg0 s LYS 259 Cb -0.14 -2.90 0.06 0.00 -1.68 0.00 0.00 37.83 33.16 1jg0 s LYS 259 CO -0.10 0.34 0.57 0.00 -0.76 0.00 0.00 175.35 175.40 1jg0 s ALA 260 N -1.52 -1.46 0.26 5.17 0.00 -1.26 -5.00 121.76 117.96 1jg0 s ALA 260 Ca 0.47 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 53.20 1jg0 s ALA 260 Cb -0.20 -0.06 -0.09 0.00 0.00 0.00 0.00 23.12 22.77 1jg0 s ALA 260 CO 0.25 -0.33 1.07 -1.25 0.00 0.00 0.00 175.76 175.50 1jg0 s PRO 261 N -1.10 4.68 0.65 0.00 0.04 -1.26 -5.05 135.00 132.95 1jg0 s PRO 261 Ca -0.11 1.74 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 1jg0 s PRO 261 Cb -0.02 -3.21 -0.02 0.00 0.04 0.00 0.00 34.50 31.28 1jg0 s PRO 261 CO 0.08 0.25 1.05 0.08 0.04 0.00 0.00 177.00 178.50 1jg0 s VAL 262 N -1.07 4.32 -2.43 -0.36 1.01 -1.26 -4.95 120.40 115.66 1jg0 s VAL 262 Ca 0.44 0.75 0.29 0.00 0.00 0.00 0.00 61.98 63.46 1jg0 s VAL 262 Cb -0.31 -3.73 0.60 0.00 0.00 0.00 0.00 36.38 32.94 1jg0 s VAL 262 CO 0.39 -0.99 1.82 0.00 0.00 0.00 0.00 175.10 176.32