#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gqs s GLN 2 N 0.00 0.98 0.38 0.03 0.74 -1.26 -5.09 119.66 115.44 2gqs s GLN 2 Ca 0.00 -1.47 -0.27 0.00 0.05 0.00 0.00 55.36 53.67 2gqs s GLN 2 Cb 0.00 0.11 -0.09 0.00 1.10 0.00 0.00 33.01 34.12 2gqs s GLN 2 CO 0.00 -0.23 1.32 0.15 -0.55 0.00 0.00 175.29 175.98 2gqs s LYS 3 N -4.02 4.11 -0.15 1.67 1.02 -1.26 -4.57 119.74 116.55 2gqs s LYS 3 Ca 0.24 2.22 -0.12 0.00 0.02 0.00 0.00 55.97 58.34 2gqs s LYS 3 Cb 0.07 -2.88 -0.06 0.00 -0.52 0.00 0.00 37.83 34.44 2gqs s LYS 3 CO 0.03 -0.40 -0.25 1.04 -0.92 0.00 0.00 175.35 174.84 2gqs n GLN 4 N 0.38 0.40 -3.46 1.68 6.02 -0.63 -4.99 117.38 116.78 2gqs n GLN 4 Ca 0.02 0.17 -0.13 0.00 -0.01 0.00 0.00 57.00 57.05 2gqs n GLN 4 Cb 0.43 -1.19 -0.03 0.00 1.02 0.00 0.00 30.24 30.47 2gqs n GLN 4 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gqs s ALA 5 N -2.52 -1.68 -0.03 -1.58 0.00 -1.26 -4.98 121.76 109.71 2gqs s ALA 5 Ca -0.24 0.80 -0.30 0.00 0.00 0.00 0.00 51.96 52.22 2gqs s ALA 5 Cb 0.07 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.70 2gqs s ALA 5 CO 0.33 -0.64 1.24 -2.00 0.00 0.00 0.00 175.76 174.69 2gqs s GLU 6 N -2.93 4.35 -0.09 0.00 2.12 -1.26 -1.45 118.70 119.43 2gqs s GLU 6 Ca -0.02 1.74 -0.07 0.00 0.36 0.00 0.00 54.97 56.98 2gqs s GLU 6 Cb -0.01 -3.54 -0.28 0.00 0.26 0.00 0.00 34.13 30.57 2gqs s GLU 6 CO -0.06 -0.45 0.49 -0.07 -0.54 0.00 0.00 175.26 174.63 2gqs h LEU 7 N 8.09 0.47 -7.00 2.70 3.38 -0.93 -3.47 115.31 118.54 2gqs h LEU 7 Ca -0.36 -0.90 0.24 0.00 0.09 0.00 0.00 57.88 56.95 2gqs h LEU 7 Cb 1.17 -0.15 -0.26 0.00 0.09 0.00 0.00 40.66 41.51 2gqs h LEU 7 CO 0.88 1.79 0.90 -0.72 0.09 0.00 0.00 178.44 181.38 2gqs s TYR 8 N -2.57 -0.08 -0.18 1.13 -0.85 -1.17 -5.04 117.35 108.59 2gqs s TYR 8 Ca -0.19 0.12 0.01 0.00 -0.52 0.00 0.00 57.07 56.49 2gqs s TYR 8 Cb 0.06 0.49 0.02 0.00 0.38 0.00 0.00 41.96 42.92 2gqs s TYR 8 CO 0.80 -0.08 -0.18 -0.98 -1.52 0.00 0.00 175.55 173.59 2gqs s ARG 9 N -1.25 2.80 0.00 -3.49 1.70 -1.26 -1.10 118.95 116.34 2gqs s ARG 9 Ca 0.08 -0.84 0.00 0.00 -0.47 0.00 0.00 55.73 54.50 2gqs s ARG 9 Cb -0.01 -2.53 0.00 0.00 -0.57 0.00 0.00 34.95 31.84 2gqs s ARG 9 CO -0.06 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 2gqs n GLY 10 N 4.63 -0.37 0.23 3.88 0.00 0.70 -4.96 105.19 109.30 2gqs n GLY 10 Ca -0.20 -1.75 0.07 0.00 0.00 0.00 0.00 46.02 44.14 2gqs n GLY 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2gqs h LYS 11 N 0.00 0.00 0.00 1.61 1.57 -1.99 -3.36 116.57 114.40 2gqs h LYS 11 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2gqs h LYS 11 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2gqs h LYS 11 CO 0.00 0.17 -0.38 0.00 -0.57 0.00 0.00 179.45 178.66 2gqs n ALA 12 N -2.47 0.78 -2.34 3.86 0.00 -1.26 -4.65 120.51 114.43 2gqs n ALA 12 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.23 2gqs n ALA 12 Cb 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 2gqs n ALA 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2gqs s LYS 13 N -0.78 1.32 -0.06 0.00 1.02 -1.26 -1.59 119.74 118.39 2gqs s LYS 13 Ca 0.00 -1.59 0.06 0.00 0.02 0.00 0.00 55.97 54.46 2gqs s LYS 13 Cb 0.00 -1.07 -0.01 0.00 -0.52 0.00 0.00 37.83 36.23 2gqs s LYS 13 CO 0.00 0.16 -0.24 0.99 -0.92 0.00 0.00 175.35 175.34 2gqs s THR 14 N -3.02 1.96 -0.16 2.17 2.01 0.06 -0.21 115.64 118.45 2gqs s THR 14 Ca 0.22 -1.01 -0.05 0.00 0.31 0.00 0.00 61.69 61.17 2gqs s THR 14 Cb -0.00 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 2gqs s THR 14 CO 0.07 0.55 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.84 2gqs s VAL 15 N -0.09 4.11 0.10 3.82 1.01 -0.26 -0.33 120.40 128.76 2gqs s VAL 15 Ca -0.05 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.75 2gqs s VAL 15 Cb -0.14 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2gqs s VAL 15 CO 0.04 0.49 -0.26 -0.31 0.00 0.00 0.00 175.10 175.05 2gqs s TYR 16 N 0.35 2.32 0.80 5.22 1.51 -0.19 -0.21 117.35 127.15 2gqs s TYR 16 Ca -0.02 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.55 2gqs s TYR 16 Cb -0.14 -1.30 0.10 0.00 -0.11 0.00 0.00 41.96 40.51 2gqs s TYR 16 CO 0.02 0.27 1.14 -1.54 -1.11 0.00 0.00 175.55 174.34 2gqs s SER 17 N -1.78 4.28 0.25 2.29 1.04 -0.53 -1.34 113.70 117.91 2gqs s SER 17 Ca 0.13 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.02 2gqs s SER 17 Cb -0.10 -0.91 -0.03 0.00 0.10 0.00 0.00 66.02 65.08 2gqs s SER 17 CO 0.05 -1.99 0.25 0.42 0.98 0.00 0.00 173.24 172.95 2gqs s THR 18 N -3.51 0.00 0.51 2.02 -4.23 -1.25 -1.60 115.64 107.59 2gqs s THR 18 Ca 0.64 -1.85 0.18 0.00 -1.18 0.00 0.00 61.69 59.48 2gqs s THR 18 Cb -0.09 -2.46 0.31 0.00 1.34 0.00 0.00 72.50 71.59 2gqs s THR 18 CO 0.48 0.00 2.09 1.05 -0.54 0.00 0.00 174.62 177.71 2gqs h GLU 19 N 2.42 0.05 -5.91 3.99 4.11 -1.90 -3.39 114.58 113.95 2gqs h GLU 19 Ca -0.31 -0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.53 2gqs h GLU 19 Cb 1.25 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2gqs h GLU 19 CO 0.45 0.03 0.43 1.21 0.07 0.00 0.00 179.01 181.21 2gqs s ASN 20 N -6.77 6.93 0.38 3.06 3.84 -1.26 -4.94 114.94 116.17 2gqs s ASN 20 Ca -0.05 1.14 0.27 0.00 0.21 0.00 0.00 52.86 54.43 2gqs s ASN 20 Cb 0.18 -2.45 1.34 0.00 -0.55 0.00 0.00 41.25 39.77 2gqs s ASN 20 CO 0.69 -0.45 1.82 1.55 -2.79 0.00 0.00 177.10 177.93 2gqs h PRO 21 N 7.44 0.00 -0.35 0.43 0.13 -2.03 -2.74 132.00 134.88 2gqs h PRO 21 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2gqs h PRO 21 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2gqs h PRO 21 CO 0.85 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.37 2gqs n ASP 22 N -2.46 2.94 -4.19 1.44 8.00 -1.26 -4.86 116.55 116.16 2gqs n ASP 22 Ca -0.01 -1.94 -0.25 0.00 0.71 0.00 0.00 54.79 53.31 2gqs n ASP 22 Cb 0.12 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 40.84 2gqs n ASP 22 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2gqs s LEU 23 N -1.01 2.07 0.20 0.64 1.43 -1.04 0.27 118.68 121.24 2gqs s LEU 23 Ca 0.25 -0.38 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 2gqs s LEU 23 Cb 0.14 -0.93 -0.05 0.00 0.03 0.00 0.00 46.19 45.38 2gqs s LEU 23 CO 0.18 0.20 -0.06 -0.76 0.23 0.00 0.00 176.35 176.14 2gqs s LEU 24 N -0.63 2.38 -0.19 1.79 1.43 0.13 -3.76 118.68 119.83 2gqs s LEU 24 Ca 0.07 -1.12 -0.02 0.00 -1.03 0.00 0.00 54.13 52.03 2gqs s LEU 24 Cb -0.07 -0.37 -0.00 0.00 0.03 0.00 0.00 46.19 45.78 2gqs s LEU 24 CO -0.00 -0.40 -0.10 -0.69 0.23 0.00 0.00 176.35 175.39 2gqs s VAL 25 N -3.31 3.00 -0.22 -1.59 1.01 -0.45 -0.84 120.40 118.01 2gqs s VAL 25 Ca 0.24 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.48 2gqs s VAL 25 Cb 0.04 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 2gqs s VAL 25 CO 0.06 0.47 0.14 -0.76 0.00 0.00 0.00 175.10 175.01 2gqs s LEU 26 N 1.19 4.11 -0.25 3.92 1.43 -0.77 -1.02 118.68 127.30 2gqs s LEU 26 Ca 0.02 0.14 -0.03 0.00 -1.03 0.00 0.00 54.13 53.23 2gqs s LEU 26 Cb -0.14 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.00 2gqs s LEU 26 CO -0.04 0.11 -0.03 -0.70 0.23 0.00 0.00 176.35 175.93 2gqs s GLU 27 N 0.79 3.06 -0.33 1.70 2.12 0.55 -2.37 118.70 124.23 2gqs s GLU 27 Ca 0.07 -0.84 -0.25 0.00 0.36 0.00 0.00 54.97 54.32 2gqs s GLU 27 Cb -0.13 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.21 2gqs s GLU 27 CO 0.02 -0.34 0.86 -0.06 -0.54 0.00 0.00 175.26 175.20 2gqs s PHE 28 N 1.41 3.16 0.72 5.30 0.40 -0.20 -0.76 117.98 128.00 2gqs s PHE 28 Ca 0.03 0.83 -0.03 0.00 -0.60 0.00 0.00 56.93 57.16 2gqs s PHE 28 Cb -0.16 -3.41 0.11 0.00 0.51 0.00 0.00 43.02 40.07 2gqs s PHE 28 CO -0.03 -0.68 1.00 1.03 0.70 0.00 0.00 175.22 177.25 2gqs s ARG 29 N 3.20 1.76 0.00 0.44 0.52 -0.62 -4.44 118.95 119.81 2gqs s ARG 29 Ca 0.36 -0.84 0.30 0.00 -0.52 0.00 0.00 55.73 55.02 2gqs s ARG 29 Cb -0.13 -2.27 1.52 0.00 0.52 0.00 0.00 34.95 34.58 2gqs s ARG 29 CO 0.15 -1.42 2.01 0.09 0.02 0.00 0.00 175.30 176.15 2gqs n ASN 30 N -2.89 0.48 -4.71 0.23 3.02 -1.26 -3.15 115.26 106.98 2gqs n ASN 30 Ca 0.13 -0.98 -0.42 0.00 -0.03 0.00 0.00 54.58 53.28 2gqs n ASN 30 Cb 0.60 -0.03 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 2gqs n ASN 30 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 2gqs s ASP 31 N -2.14 6.50 -0.13 6.41 -0.00 -1.26 -2.04 116.67 124.00 2gqs s ASP 31 Ca 0.40 2.71 0.01 0.00 -0.00 0.00 0.00 52.55 55.67 2gqs s ASP 31 Cb 0.21 -2.59 0.02 0.00 -0.00 0.00 0.00 42.92 40.56 2gqs s ASP 31 CO 0.39 -0.90 -0.16 -0.89 -0.00 0.00 0.00 175.17 173.61 2gqs s THR 32 N 1.41 1.63 0.10 -1.27 2.01 0.25 -4.63 115.64 115.13 2gqs s THR 32 Ca 0.73 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.07 2gqs s THR 32 Cb -0.46 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 2gqs s THR 32 CO 0.32 0.47 0.10 -0.55 -0.69 0.00 0.00 174.62 174.26 2gqs s SER 33 N 1.18 5.55 0.07 3.53 0.15 -1.26 -0.81 113.70 122.10 2gqs s SER 33 Ca -0.02 -0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.56 2gqs s SER 33 Cb -0.14 -1.49 -0.02 0.00 -1.71 0.00 0.00 66.02 62.66 2gqs s SER 33 CO -0.06 0.15 0.06 0.00 1.20 0.00 0.00 173.24 174.59 2gqs s ALA 34 N -1.48 0.20 -1.46 5.45 0.00 -0.35 -4.88 121.76 119.24 2gqs s ALA 34 Ca 0.30 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 51.21 2gqs s ALA 34 Cb -0.12 0.36 0.05 0.00 0.00 0.00 0.00 23.12 23.41 2gqs s ALA 34 CO 0.22 -0.42 0.85 0.41 0.00 0.00 0.00 175.76 176.82 2gqs n GLY 35 N 0.06 -0.51 3.07 0.00 0.00 -1.26 -1.97 105.19 104.57 2gqs n GLY 35 Ca -0.15 0.18 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 2gqs n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2gqs n ASP 36 N -2.70 -5.30 0.00 1.61 8.00 -1.26 -1.87 116.55 115.03 2gqs n ASP 36 Ca -0.01 -0.28 0.00 0.00 0.71 0.00 0.00 54.79 55.20 2gqs n ASP 36 Cb 0.56 -4.31 0.00 0.00 -0.02 0.00 0.00 41.12 37.34 2gqs n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gqs n GLY 37 N -1.37 0.45 0.22 0.44 0.00 -0.83 -4.79 105.19 99.31 2gqs n GLY 37 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 2gqs n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gqs h ALA 38 N 0.00 0.56 -3.42 4.61 0.00 -0.87 -3.41 119.26 116.73 2gqs h ALA 38 Ca 0.00 -0.22 -0.63 0.00 0.00 0.00 0.00 54.91 54.05 2gqs h ALA 38 Cb 0.00 -0.16 -0.37 0.00 0.00 0.00 0.00 17.79 17.27 2gqs h ALA 38 CO 0.00 0.29 -0.82 0.50 0.00 0.00 0.00 179.25 179.22 2gqs s ARG 39 N -5.17 2.26 -0.03 0.00 3.52 -0.97 -5.02 118.95 113.53 2gqs s ARG 39 Ca -0.13 -0.92 0.07 0.00 -0.13 0.00 0.00 55.73 54.62 2gqs s ARG 39 Cb 0.10 -2.51 -0.02 0.00 -1.56 0.00 0.00 34.95 30.96 2gqs s ARG 39 CO 0.79 -0.40 -0.24 0.42 -0.81 0.00 0.00 175.30 175.05 2gqs s ILE 40 N 1.33 1.95 0.02 4.11 1.01 -1.26 -1.21 121.20 127.16 2gqs s ILE 40 Ca -0.01 -1.04 -0.01 0.00 0.00 0.00 0.00 60.65 59.59 2gqs s ILE 40 Cb -0.16 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 2gqs s ILE 40 CO -0.09 0.55 -0.02 -0.70 0.00 0.00 0.00 174.94 174.69 2gqs s GLU 41 N -0.44 0.36 -0.09 2.79 2.12 0.01 -4.94 118.70 118.51 2gqs s GLU 41 Ca 0.05 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.69 2gqs s GLU 41 Cb -0.11 0.13 -0.03 0.00 0.26 0.00 0.00 34.13 34.38 2gqs s GLU 41 CO 0.00 -0.06 0.03 -0.65 -0.54 0.00 0.00 175.26 174.04 2gqs s GLN 42 N -1.75 3.07 -0.04 4.30 -0.21 -1.26 0.84 119.66 124.60 2gqs s GLN 42 Ca -0.13 -0.35 0.01 0.00 0.02 0.00 0.00 55.36 54.90 2gqs s GLN 42 Cb -0.08 -2.87 0.02 0.00 1.00 0.00 0.00 33.01 31.09 2gqs s GLN 42 CO -0.02 0.72 -0.05 -0.06 -2.12 0.00 0.00 175.29 173.76 2gqs s PHE 43 N -0.92 0.75 0.43 0.91 0.40 -0.87 -4.99 117.98 113.71 2gqs s PHE 43 Ca 0.14 -0.21 -0.26 0.00 -0.60 0.00 0.00 56.93 56.00 2gqs s PHE 43 Cb -0.11 -0.66 -0.09 0.00 0.51 0.00 0.00 43.02 42.67 2gqs s PHE 43 CO 0.03 -0.18 1.44 -0.51 0.70 0.00 0.00 175.22 176.70 2gqs s ASP 44 N 0.86 5.98 0.00 1.36 1.01 -1.26 -2.12 116.67 122.50 2gqs s ASP 44 Ca -0.12 2.96 0.00 0.00 0.71 0.00 0.00 52.55 56.10 2gqs s ASP 44 Cb -0.14 -2.66 0.00 0.00 1.01 0.00 0.00 42.92 41.13 2gqs s ASP 44 CO 0.00 -1.11 0.00 0.54 0.21 0.00 0.00 175.17 174.81 2gqs n ARG 45 N -0.04 0.00 -0.13 8.23 1.74 -1.26 -4.87 116.66 120.33 2gqs n ARG 45 Ca 0.04 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.07 2gqs n ARG 45 Cb 0.41 -2.08 0.04 0.00 -1.02 0.00 0.00 32.46 29.81 2gqs n ARG 45 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2gqs h LYS 46 N 1.32 0.26 -0.11 5.56 3.11 -1.75 0.13 116.57 125.08 2gqs h LYS 46 Ca 0.00 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2gqs h LYS 46 Cb 0.00 -0.06 -0.00 0.00 -1.00 0.00 0.00 32.23 31.17 2gqs h LYS 46 CO 0.00 0.17 0.04 0.78 -2.81 0.00 0.00 179.45 177.63 2gqs h GLY 47 N 0.26 0.18 1.01 5.01 0.00 -1.76 -2.21 103.07 105.57 2gqs h GLY 47 Ca 0.20 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2gqs h GLY 47 CO -0.23 0.10 0.39 1.98 0.00 0.00 0.00 176.54 178.78 2gqs h MET 48 N 0.02 1.05 -0.50 4.80 1.85 -1.68 -0.46 114.93 120.01 2gqs h MET 48 Ca 0.04 -0.13 -0.03 0.00 -0.61 0.00 0.00 59.70 58.96 2gqs h MET 48 Cb 0.19 -0.20 -0.02 0.00 0.43 0.00 0.00 31.60 32.00 2gqs h MET 48 CO -0.00 0.79 0.18 0.28 -0.40 0.00 0.00 176.91 177.76 2gqs h VAL 49 N 1.03 1.22 -0.19 -5.77 2.07 -0.65 -2.26 116.25 111.70 2gqs h VAL 49 Ca 0.26 -0.71 -0.16 0.00 0.82 0.00 0.00 66.70 66.90 2gqs h VAL 49 Cb 0.06 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2gqs h VAL 49 CO -0.04 0.26 -0.56 0.78 0.02 0.00 0.00 177.57 178.04 2gqs h ASN 50 N 0.67 0.65 0.00 0.57 4.21 -1.25 0.30 115.58 120.73 2gqs h ASN 50 Ca 0.16 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.33 2gqs h ASN 50 Cb 0.23 -0.19 -0.00 0.00 -1.12 0.00 0.00 38.32 37.24 2gqs h ASN 50 CO -0.01 1.07 -0.02 -1.13 -1.29 0.00 0.00 177.43 176.05 2gqs h ASN 51 N 0.44 -0.06 0.24 5.81 -1.24 -0.96 0.39 115.58 120.20 2gqs h ASN 51 Ca 0.01 0.01 -0.16 0.00 0.71 0.00 0.00 56.30 56.86 2gqs h ASN 51 Cb 1.11 0.03 -0.01 0.00 0.73 0.00 0.00 38.32 40.18 2gqs h ASN 51 CO 0.11 -0.03 -0.64 0.11 -1.29 0.00 0.00 177.43 175.68 2gqs h LYS 52 N -0.04 0.38 -0.17 6.67 1.57 -1.42 -1.84 116.57 121.73 2gqs h LYS 52 Ca 0.01 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.51 2gqs h LYS 52 Cb 0.05 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2gqs h LYS 52 CO -0.02 0.90 0.10 0.35 -0.57 0.00 0.00 179.45 180.20 2gqs h PHE 53 N 0.28 0.22 -0.23 -1.35 3.57 -0.63 -1.89 116.94 116.91 2gqs h PHE 53 Ca -0.01 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.50 2gqs h PHE 53 Cb 1.18 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 2gqs h PHE 53 CO 0.04 0.20 0.11 -0.97 -2.23 0.00 0.00 178.31 175.45 2gqs h ASN 54 N 0.19 0.16 -0.60 0.41 -1.24 -0.10 -1.38 115.58 113.02 2gqs h ASN 54 Ca 0.06 0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.13 2gqs h ASN 54 Cb 0.04 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 39.02 2gqs h ASN 54 CO -0.01 0.13 0.34 0.22 -1.29 0.00 0.00 177.43 176.81 2gqs h TYR 55 N 0.24 0.62 0.00 0.67 3.20 -1.20 0.17 116.97 120.68 2gqs h TYR 55 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.99 2gqs h TYR 55 Cb 0.03 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 2gqs h TYR 55 CO -0.10 0.32 -0.01 0.35 -1.64 0.00 0.00 178.16 177.08 2gqs h PHE 56 N 0.64 -0.03 -0.08 -3.82 3.57 -1.03 -0.55 116.94 115.65 2gqs h PHE 56 Ca 0.26 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 2gqs h PHE 56 Cb 0.12 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 2gqs h PHE 56 CO -0.08 -0.02 0.02 0.82 -2.23 0.00 0.00 178.31 176.82 2gqs h ILE 57 N -0.02 1.20 -1.00 1.41 1.08 -0.93 -2.11 117.51 117.13 2gqs h ILE 57 Ca 0.00 -0.61 0.12 0.00 -0.39 0.00 0.00 64.86 63.98 2gqs h ILE 57 Cb 0.03 1.46 -0.08 0.00 -3.07 0.00 0.00 36.82 35.15 2gqs h ILE 57 CO -0.01 0.17 0.63 0.24 -0.69 0.00 0.00 178.15 178.49 2gqs h MET 58 N -0.09 0.97 -0.39 2.37 2.86 -0.60 -0.54 114.93 119.51 2gqs h MET 58 Ca 0.02 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 2gqs h MET 58 Cb 0.26 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 2gqs h MET 58 CO 0.00 0.64 0.18 1.03 1.06 0.00 0.00 176.91 179.82 2gqs h SER 59 N 1.00 0.51 -0.89 1.22 0.87 -0.87 0.12 113.55 115.51 2gqs h SER 59 Ca 0.49 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.91 2gqs h SER 59 Cb 0.48 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.26 2gqs h SER 59 CO -0.26 0.50 0.52 0.11 -0.53 0.00 0.00 176.83 177.17 2gqs h LYS 60 N 0.49 1.22 -0.29 2.24 1.79 -0.59 -0.79 116.57 120.64 2gqs h LYS 60 Ca 0.13 -0.12 -0.13 0.00 -2.18 0.00 0.00 60.65 58.36 2gqs h LYS 60 Cb 0.13 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 2gqs h LYS 60 CO -0.02 0.87 -0.34 -0.07 -1.08 0.00 0.00 179.45 178.82 2gqs h LEU 61 N 1.23 0.67 0.10 2.94 3.38 -0.79 -2.82 115.31 120.02 2gqs h LEU 61 Ca 0.32 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2gqs h LEU 61 Cb -0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.54 2gqs h LEU 61 CO -0.06 0.95 -0.05 0.00 0.09 0.00 0.00 178.44 179.37 2gqs h ALA 62 N 1.09 -0.14 0.00 1.53 0.00 -0.13 -1.36 119.26 120.25 2gqs h ALA 62 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gqs h ALA 62 Cb 0.84 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2gqs h ALA 62 CO 0.07 -0.50 0.00 0.39 0.00 0.00 0.00 179.25 179.21 2gqs n GLU 63 N -5.08 0.03 -0.01 0.00 1.02 -0.36 0.29 120.64 116.53 2gqs n GLU 63 Ca -0.08 0.53 0.12 0.00 -0.02 0.00 0.00 57.16 57.71 2gqs n GLU 63 Cb 0.14 -1.60 0.21 0.00 -0.02 0.00 0.00 31.44 30.17 2gqs n GLU 63 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2gqs n ALA 64 N -1.56 2.49 0.00 0.62 0.00 -0.77 -4.94 120.51 116.35 2gqs n ALA 64 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.79 2gqs n ALA 64 Cb 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.56 2gqs n ALA 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gqs n GLY 65 N 1.32 0.35 3.66 0.00 0.00 0.15 -5.06 105.19 105.61 2gqs n GLY 65 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2gqs n GLY 65 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gqs s ILE 66 N -2.00 4.69 0.03 -0.61 1.01 -0.58 -4.99 121.20 118.74 2gqs s ILE 66 Ca 0.00 2.01 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 2gqs s ILE 66 Cb 0.00 -4.30 -0.06 0.00 0.01 0.00 0.00 42.46 38.11 2gqs s ILE 66 CO 0.00 -0.16 1.47 -2.16 0.00 0.00 0.00 174.94 174.08 2gqs s PRO 67 N 3.11 4.26 0.36 2.79 0.04 -1.26 -3.85 135.00 140.45 2gqs s PRO 67 Ca 0.44 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.62 2gqs s PRO 67 Cb -0.15 -3.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.76 2gqs s PRO 67 CO 0.07 -0.61 -0.01 0.95 0.04 0.00 0.00 177.00 177.44 2gqs s THR 68 N 2.37 1.85 0.20 1.26 -4.23 -1.26 -1.36 115.64 114.47 2gqs s THR 68 Ca 0.66 -2.06 0.09 0.00 -1.18 0.00 0.00 61.69 59.21 2gqs s THR 68 Cb -0.34 -2.82 -0.10 0.00 1.34 0.00 0.00 72.50 70.57 2gqs s THR 68 CO 0.28 -0.08 1.47 0.06 -0.54 0.00 0.00 174.62 175.81 2gqs h GLN 69 N 1.95 0.00 -6.34 3.99 3.07 -1.23 -3.45 115.11 113.11 2gqs h GLN 69 Ca -0.42 0.00 -0.65 0.00 0.09 0.00 0.00 58.65 57.67 2gqs h GLN 69 Cb 1.24 0.00 0.08 0.00 0.08 0.00 0.00 27.48 28.88 2gqs h GLN 69 CO 0.75 0.78 0.29 -0.12 0.09 0.00 0.00 178.83 180.62 2gqs n MET 70 N -3.60 1.19 0.03 0.06 1.56 -1.26 -1.36 117.12 113.74 2gqs n MET 70 Ca -0.01 0.42 -0.01 0.00 -0.27 0.00 0.00 57.70 57.84 2gqs n MET 70 Cb 0.76 -1.93 -0.00 0.00 2.15 0.00 0.00 33.22 34.19 2gqs n MET 70 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 2gqs n GLU 71 N 1.79 0.05 -3.59 2.12 -0.58 -0.42 -4.86 120.64 115.15 2gqs n GLU 71 Ca 0.15 0.02 -0.05 0.00 -0.42 0.00 0.00 57.16 56.86 2gqs n GLU 71 Cb 0.24 -0.53 -0.02 0.00 -0.57 0.00 0.00 31.44 30.56 2gqs n GLU 71 CO 0.00 0.00 0.00 -0.98 -0.48 0.00 0.00 177.13 175.67 2gqs s ARG 72 N -1.95 0.35 0.33 3.49 1.70 -1.10 -4.98 118.95 116.78 2gqs s ARG 72 Ca -0.03 -0.10 -0.27 0.00 -0.47 0.00 0.00 55.73 54.86 2gqs s ARG 72 Cb 0.00 0.16 -0.09 0.00 -0.57 0.00 0.00 34.95 34.45 2gqs s ARG 72 CO 0.04 -0.15 1.05 -0.51 -1.08 0.00 0.00 175.30 174.66 2gqs s LEU 73 N -2.03 4.38 -0.08 -1.89 1.43 -1.26 1.00 118.68 120.22 2gqs s LEU 73 Ca 0.08 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.33 2gqs s LEU 73 Cb -0.01 -3.88 -0.07 0.00 0.03 0.00 0.00 46.19 42.26 2gqs s LEU 73 CO -0.05 -0.25 -0.04 0.18 0.23 0.00 0.00 176.35 176.42 2gqs n LEU 74 N 0.66 1.89 0.00 1.79 4.77 0.52 -4.82 117.00 121.81 2gqs n LEU 74 Ca 0.01 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2gqs n LEU 74 Cb 0.47 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2gqs n LEU 74 CO 0.49 0.48 0.00 -1.54 -1.33 0.00 0.00 177.39 175.49 2gqs n SER 75 N -2.58 0.00 -0.02 -1.43 3.41 -0.87 -4.94 113.62 107.19 2gqs n SER 75 Ca -0.14 -0.92 -0.01 0.00 -0.26 0.00 0.00 58.87 57.54 2gqs n SER 75 Cb 0.69 0.00 0.26 0.00 -0.26 0.00 0.00 64.21 64.90 2gqs n SER 75 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2gqs h ASP 76 N 0.00 0.54 -0.01 4.04 3.32 -1.98 -3.24 116.42 119.08 2gqs h ASP 76 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 2gqs h ASP 76 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 2gqs h ASP 76 CO 0.00 0.63 -0.15 0.35 -1.72 0.00 0.00 179.24 178.36 2gqs n THR 77 N -4.24 0.00 -4.38 0.35 -2.24 -1.26 -4.26 114.28 98.24 2gqs n THR 77 Ca 0.01 -0.43 -0.26 0.00 -2.27 0.00 0.00 64.05 61.11 2gqs n THR 77 Cb 0.28 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.53 2gqs n THR 77 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2gqs s GLU 78 N -1.19 1.40 0.05 -0.78 2.02 -1.23 -1.04 118.70 117.93 2gqs s GLU 78 Ca 0.09 -1.42 -0.06 0.00 0.02 0.00 0.00 54.97 53.60 2gqs s GLU 78 Cb 0.08 -1.71 -0.01 0.00 0.10 0.00 0.00 34.13 32.59 2gqs s GLU 78 CO 0.21 0.38 0.11 0.00 0.02 0.00 0.00 175.26 175.98 2gqs s LEU 80 N -2.43 4.26 0.05 0.00 2.96 0.28 -1.84 118.68 121.96 2gqs s LEU 80 Ca -0.01 0.33 -0.01 0.00 -0.22 0.00 0.00 54.13 54.23 2gqs s LEU 80 Cb 0.02 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 2gqs s LEU 80 CO -0.07 0.23 -0.03 0.68 -1.32 0.00 0.00 176.35 175.84 2gqs s VAL 81 N 0.01 0.24 0.31 1.68 -7.23 -0.02 -1.30 120.40 114.10 2gqs s VAL 81 Ca 0.11 -1.60 -0.29 0.00 -1.81 0.00 0.00 61.98 58.39 2gqs s VAL 81 Cb -0.12 -1.23 -0.10 0.00 0.56 0.00 0.00 36.38 35.49 2gqs s VAL 81 CO 0.00 -0.87 1.26 -0.54 -0.31 0.00 0.00 175.10 174.65 2gqs s LYS 82 N -3.31 4.42 -0.17 4.82 1.02 -0.46 0.21 119.74 126.26 2gqs s LYS 82 Ca 0.02 2.11 -0.29 0.00 0.02 0.00 0.00 55.97 57.83 2gqs s LYS 82 Cb 0.03 -3.11 -0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2gqs s LYS 82 CO -0.07 -0.11 1.25 0.21 -0.92 0.00 0.00 175.35 175.71 2gqs s LYS 83 N -1.56 4.23 0.09 1.68 2.20 0.14 -4.71 119.74 121.81 2gqs s LYS 83 Ca 0.49 1.64 0.07 0.00 -0.36 0.00 0.00 55.97 57.80 2gqs s LYS 83 Cb -0.38 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 32.14 2gqs s LYS 83 CO 0.49 -0.71 -0.10 -0.51 -0.36 0.00 0.00 175.35 174.16 2gqs s LEU 84 N 3.50 3.05 -1.05 5.43 1.43 -1.26 -4.79 118.68 124.98 2gqs s LEU 84 Ca 0.54 -0.36 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 2gqs s LEU 84 Cb -0.21 -1.83 0.16 0.00 0.03 0.00 0.00 46.19 44.33 2gqs s LEU 84 CO 0.14 0.19 1.24 -0.62 0.23 0.00 0.00 176.35 177.53 2gqs s ASP 85 N -2.12 6.86 0.22 2.29 3.68 0.35 -4.80 116.67 123.15 2gqs s ASP 85 Ca 0.21 -2.56 -0.32 0.00 2.13 0.00 0.00 52.55 52.01 2gqs s ASP 85 Cb -0.11 -2.38 -0.14 0.00 -1.45 0.00 0.00 42.92 38.84 2gqs s ASP 85 CO 0.13 -0.87 1.39 0.23 0.13 0.00 0.00 175.17 176.19 2gqs n MET 86 N 5.86 1.91 -2.92 4.34 2.81 -1.26 -1.50 117.12 126.36 2gqs n MET 86 Ca 0.29 0.68 -0.42 0.00 -1.81 0.00 0.00 57.70 56.45 2gqs n MET 86 Cb 0.46 -2.33 -0.04 0.00 -0.71 0.00 0.00 33.22 30.59 2gqs n MET 86 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2gqs s VAL 87 N 0.02 4.84 0.00 2.03 1.01 0.05 -4.92 120.40 123.43 2gqs s VAL 87 Ca 0.70 1.46 -0.02 0.00 0.00 0.00 0.00 61.98 64.12 2gqs s VAL 87 Cb -0.68 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 31.49 2gqs s VAL 87 CO 0.49 -0.10 1.78 -0.81 0.00 0.00 0.00 175.10 176.46 2gqs n PRO 88 N 6.03 0.88 -3.74 2.72 -0.04 -1.26 -4.61 135.00 134.99 2gqs n PRO 88 Ca 0.05 -0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 62.95 2gqs n PRO 88 Cb 0.48 -1.59 -0.18 0.00 -0.04 0.00 0.00 33.50 32.18 2gqs n PRO 88 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2gqs s VAL 89 N 1.60 0.14 0.02 0.52 1.01 -1.26 -1.26 120.40 121.17 2gqs s VAL 89 Ca 0.23 0.26 -0.28 0.00 0.00 0.00 0.00 61.98 62.19 2gqs s VAL 89 Cb 0.11 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2gqs s VAL 89 CO 0.00 0.21 0.89 -1.61 0.00 0.00 0.00 175.10 174.59 2gqs s GLU 90 N 1.98 4.56 -0.29 2.72 2.02 0.16 -4.67 118.70 125.19 2gqs s GLU 90 Ca 0.04 1.27 -0.09 0.00 0.02 0.00 0.00 54.97 56.21 2gqs s GLU 90 Cb -0.12 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 2gqs s GLU 90 CO -0.04 0.08 0.13 0.00 0.02 0.00 0.00 175.26 175.45 2gqs s VAL 92 N 1.63 2.18 -0.08 0.00 1.01 0.23 -0.76 120.40 124.62 2gqs s VAL 92 Ca 0.05 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.04 2gqs s VAL 92 Cb -0.16 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 2gqs s VAL 92 CO 0.06 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.88 2gqs s VAL 93 N -0.17 2.84 -0.15 2.92 1.01 -0.98 0.04 120.40 125.92 2gqs s VAL 93 Ca -0.03 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.20 2gqs s VAL 93 Cb -0.14 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.12 2gqs s VAL 93 CO 0.04 0.56 -0.20 -0.13 0.00 0.00 0.00 175.10 175.36 2gqs s ARG 94 N -0.17 2.89 -0.19 2.72 0.52 -0.29 -2.12 118.95 122.31 2gqs s ARG 94 Ca -0.01 -0.80 0.18 0.00 -0.52 0.00 0.00 55.73 54.57 2gqs s ARG 94 Cb -0.14 -2.39 -0.25 0.00 0.52 0.00 0.00 34.95 32.70 2gqs s ARG 94 CO 0.03 -0.08 0.11 0.09 0.02 0.00 0.00 175.30 175.47 2gqs n ASN 95 N 4.26 0.07 -3.95 0.23 3.02 0.17 -1.26 115.26 117.80 2gqs n ASN 95 Ca -0.20 0.03 -0.10 0.00 -0.03 0.00 0.00 54.58 54.28 2gqs n ASN 95 Cb 0.51 0.92 -0.12 0.00 -0.61 0.00 0.00 39.78 40.48 2gqs n ASN 95 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2gqs s ARG 96 N -2.50 0.22 0.22 3.52 0.52 -0.83 -1.07 118.95 119.03 2gqs s ARG 96 Ca -0.10 -0.44 -0.30 0.00 -0.52 0.00 0.00 55.73 54.37 2gqs s ARG 96 Cb 0.06 0.08 -0.10 0.00 0.52 0.00 0.00 34.95 35.51 2gqs s ARG 96 CO 0.83 -0.04 1.49 0.00 0.02 0.00 0.00 175.30 177.60 2gqs s ALA 97 N -1.04 3.68 0.05 2.13 0.00 0.41 -4.70 121.76 122.29 2gqs s ALA 97 Ca -0.11 1.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.92 2gqs s ALA 97 Cb -0.07 -3.58 0.10 0.00 0.00 0.00 0.00 23.12 19.56 2gqs s ALA 97 CO -0.01 -0.77 1.16 0.00 0.00 0.00 0.00 175.76 176.14 2gqs s ALA 98 N 0.37 -2.01 0.00 0.00 0.00 -1.26 -0.41 121.76 118.45 2gqs s ALA 98 Ca 0.63 0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.99 2gqs s ALA 98 Cb -0.43 0.51 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2gqs s ALA 98 CO 0.40 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2gqs n GLY 99 N -0.52 3.32 0.24 0.00 0.00 -1.26 -2.27 105.19 104.69 2gqs n GLY 99 Ca -0.07 0.01 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2gqs n GLY 99 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2gqs h SER 100 N 0.00 0.00 -0.31 1.61 4.64 -2.01 -1.95 113.55 115.53 2gqs h SER 100 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2gqs h SER 100 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2gqs h SER 100 CO 0.00 0.18 0.05 0.25 -0.87 0.00 0.00 176.83 176.44 2gqs h LEU 101 N 0.00 0.49 -0.74 5.97 5.85 -1.88 0.38 115.31 125.38 2gqs h LEU 101 Ca -0.00 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 2gqs h LEU 101 Cb 0.42 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2gqs h LEU 101 CO 0.02 0.63 0.09 0.58 -0.34 0.00 0.00 178.44 179.42 2gqs h VAL 102 N 0.34 1.26 -0.01 1.05 2.07 -1.52 -1.03 116.25 118.41 2gqs h VAL 102 Ca 0.09 -1.03 -0.00 0.00 0.82 0.00 0.00 66.70 66.58 2gqs h VAL 102 Cb 0.34 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 2gqs h VAL 102 CO 0.01 0.38 -0.01 0.50 0.02 0.00 0.00 177.57 178.47 2gqs h LYS 103 N 0.98 0.03 -0.32 1.57 3.64 -1.11 -1.08 116.57 120.28 2gqs h LYS 103 Ca 0.19 -0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.47 2gqs h LYS 103 Cb 0.44 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 2gqs h LYS 103 CO 0.01 0.50 -0.17 -0.09 -2.27 0.00 0.00 179.45 177.44 2gqs h ARG 104 N -0.45 0.68 -0.00 1.90 2.43 -0.22 -3.32 114.38 115.40 2gqs h ARG 104 Ca 0.00 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2gqs h ARG 104 Cb 0.50 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2gqs h ARG 104 CO 0.00 0.90 -0.82 1.28 -1.51 0.00 0.00 179.97 179.82 2gqs n LEU 105 N -4.35 1.09 -1.33 3.80 4.77 -0.39 -4.95 117.00 115.63 2gqs n LEU 105 Ca -0.03 -0.46 -0.15 0.00 -0.03 0.00 0.00 56.01 55.35 2gqs n LEU 105 Cb 0.39 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2gqs n LEU 105 CO 0.43 0.25 -0.16 0.61 -1.33 0.00 0.00 177.39 177.19 2gqs n GLY 106 N 1.48 0.82 3.86 -0.72 0.00 -0.41 -4.98 105.19 105.25 2gqs n GLY 106 Ca 0.05 -0.31 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 2gqs n GLY 106 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2gqs s ILE 107 N -2.61 4.67 0.16 -0.61 2.07 -1.22 -5.03 121.20 118.62 2gqs s ILE 107 Ca 0.00 0.93 -0.30 0.00 -1.41 0.00 0.00 60.65 59.87 2gqs s ILE 107 Cb 0.00 -3.80 -0.07 0.00 0.13 0.00 0.00 42.46 38.72 2gqs s ILE 107 CO 0.00 -0.89 1.03 -0.70 -1.91 0.00 0.00 174.94 172.47 2gqs s GLU 108 N -4.59 4.66 0.34 3.50 2.56 -1.26 -4.60 118.70 119.31 2gqs s GLU 108 Ca 0.55 1.60 -0.29 0.00 0.00 0.00 0.00 54.97 56.84 2gqs s GLU 108 Cb -0.10 -3.31 -0.10 0.00 2.00 0.00 0.00 34.13 32.61 2gqs s GLU 108 CO 0.42 0.18 1.32 -2.00 -0.56 0.00 0.00 175.26 174.62 2gqs s GLU 109 N -0.35 4.32 0.00 4.30 2.12 -1.26 -3.03 118.70 124.81 2gqs s GLU 109 Ca 0.47 2.24 0.00 0.00 0.36 0.00 0.00 54.97 58.05 2gqs s GLU 109 Cb -0.27 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2gqs s GLU 109 CO 0.33 -0.23 0.00 0.41 -0.54 0.00 0.00 175.26 175.23 2gqs n GLY 110 N 0.76 2.05 3.70 -1.50 0.00 0.45 -4.95 105.19 105.70 2gqs n GLY 110 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 2gqs n GLY 110 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2gqs n ILE 111 N -2.00 0.20 -2.57 -0.61 5.41 -1.17 -4.55 119.36 114.06 2gqs n ILE 111 Ca 0.00 -0.05 -0.41 0.00 1.00 0.00 0.00 62.75 63.29 2gqs n ILE 111 Cb 0.00 -1.78 -0.04 0.00 -0.71 0.00 0.00 39.64 37.11 2gqs n ILE 111 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2gqs s GLU 112 N 0.75 4.63 -0.31 0.38 2.02 -1.26 -0.45 118.70 124.47 2gqs s GLU 112 Ca 0.75 1.65 -0.07 0.00 0.02 0.00 0.00 54.97 57.32 2gqs s GLU 112 Cb -0.58 -3.30 0.02 0.00 0.10 0.00 0.00 34.13 30.37 2gqs s GLU 112 CO 0.38 0.14 0.09 -0.51 0.02 0.00 0.00 175.26 175.37 2gqs s LEU 113 N -0.38 3.97 -0.18 1.80 1.43 -0.23 -4.93 118.68 120.16 2gqs s LEU 113 Ca 0.48 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 2gqs s LEU 113 Cb -0.28 -1.88 0.04 0.00 0.03 0.00 0.00 46.19 44.10 2gqs s LEU 113 CO 0.34 -0.23 -0.08 0.20 0.23 0.00 0.00 176.35 176.81 2gqs s ASN 114 N 1.48 3.10 1.00 2.29 0.01 -1.26 -2.49 114.94 119.06 2gqs s ASN 114 Ca 0.02 -0.77 -0.16 0.00 -0.71 0.00 0.00 52.86 51.23 2gqs s ASN 114 Cb -0.18 -1.07 0.21 0.00 0.41 0.00 0.00 41.25 40.63 2gqs s ASN 114 CO 0.03 -0.17 1.29 -2.16 -1.51 0.00 0.00 177.10 174.58 2gqs s PRO 115 N 1.52 0.35 0.74 -0.60 0.04 -1.26 -5.09 135.00 130.70 2gqs s PRO 115 Ca -0.00 -0.35 -0.14 0.00 0.04 0.00 0.00 61.00 60.55 2gqs s PRO 115 Cb -0.16 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.62 2gqs s PRO 115 CO -0.08 -2.62 1.18 -1.25 0.04 0.00 0.00 177.00 174.27 2gqs s PRO 116 N -5.81 2.13 0.49 0.56 0.04 -1.04 -5.00 135.00 126.36 2gqs s PRO 116 Ca 0.73 1.66 -0.06 0.00 0.04 0.00 0.00 61.00 63.37 2gqs s PRO 116 Cb -0.05 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 2gqs s PRO 116 CO 0.53 -1.82 0.80 -0.51 0.04 0.00 0.00 177.00 176.04 2gqs s LEU 117 N -5.29 3.61 -0.12 -3.56 1.43 -0.38 -4.86 118.68 109.52 2gqs s LEU 117 Ca 0.72 0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 54.78 2gqs s LEU 117 Cb -0.27 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.06 2gqs s LEU 117 CO 0.46 -0.59 -0.02 0.12 0.23 0.00 0.00 176.35 176.55 2gqs s PHE 118 N -2.75 1.12 0.06 0.29 5.36 -1.26 -1.14 117.98 119.66 2gqs s PHE 118 Ca 0.48 -0.57 0.06 0.00 -0.96 0.00 0.00 56.93 55.93 2gqs s PHE 118 Cb -0.10 -1.04 -0.04 0.00 -0.34 0.00 0.00 43.02 41.50 2gqs s PHE 118 CO 0.45 -0.47 -0.09 -0.51 -1.46 0.00 0.00 175.22 173.13 2gqs s ASP 119 N 1.83 4.42 -0.11 6.13 1.01 0.11 -4.97 116.67 125.09 2gqs s ASP 119 Ca 0.04 -0.29 0.03 0.00 0.71 0.00 0.00 52.55 53.03 2gqs s ASP 119 Cb -0.13 -0.91 0.01 0.00 1.01 0.00 0.00 42.92 42.89 2gqs s ASP 119 CO -0.07 0.23 -0.21 -0.76 0.21 0.00 0.00 175.17 174.57 2gqs s LEU 120 N -1.81 1.99 -0.03 1.23 1.43 -1.26 -0.60 118.68 119.64 2gqs s LEU 120 Ca 0.19 -0.52 0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2gqs s LEU 120 Cb -0.11 -1.30 -0.01 0.00 0.03 0.00 0.00 46.19 44.79 2gqs s LEU 120 CO 0.10 0.11 -0.19 -0.36 0.23 0.00 0.00 176.35 176.24 2gqs s PHE 121 N 0.58 1.79 0.20 0.29 0.40 -0.30 -1.33 117.98 119.61 2gqs s PHE 121 Ca -0.14 -0.40 -0.30 0.00 -0.60 0.00 0.00 56.93 55.49 2gqs s PHE 121 Cb -0.17 -1.17 -0.08 0.00 0.51 0.00 0.00 43.02 42.11 2gqs s PHE 121 CO 0.04 -0.08 1.19 -1.17 0.70 0.00 0.00 175.22 175.91 2gqs s LEU 122 N -0.31 4.46 -0.73 -0.37 2.96 0.01 0.40 118.68 125.10 2gqs s LEU 122 Ca 0.04 2.26 -0.26 0.00 -0.22 0.00 0.00 54.13 55.95 2gqs s LEU 122 Cb -0.09 -3.61 0.04 0.00 0.50 0.00 0.00 46.19 43.03 2gqs s LEU 122 CO 0.00 -0.35 1.21 -0.75 -1.32 0.00 0.00 176.35 175.15 2gqs s LYS 123 N -0.47 3.19 -0.33 1.98 2.20 -0.39 -3.83 119.74 122.10 2gqs s LYS 123 Ca 0.52 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.76 2gqs s LYS 123 Cb -0.33 -4.25 0.19 0.00 -1.51 0.00 0.00 37.83 31.93 2gqs s LYS 123 CO 0.38 -2.07 0.58 1.21 -0.36 0.00 0.00 175.35 175.08 2gqs s ASN 124 N 3.78 -1.33 0.30 1.43 3.84 -1.26 -4.94 114.94 116.75 2gqs s ASN 124 Ca 0.32 -0.20 0.02 0.00 0.21 0.00 0.00 52.86 53.22 2gqs s ASN 124 Cb -0.10 1.89 0.57 0.00 -0.55 0.00 0.00 41.25 43.06 2gqs s ASN 124 CO 0.13 -0.27 1.87 0.44 -2.79 0.00 0.00 177.10 176.48 2gqs h ASP 125 N 7.70 0.89 -0.74 -4.21 3.32 -1.89 -0.20 116.42 121.29 2gqs h ASP 125 Ca 0.00 0.03 0.14 0.00 0.02 0.00 0.00 57.03 57.22 2gqs h ASP 125 Cb 1.18 -0.16 -0.10 0.00 0.22 0.00 0.00 39.33 40.48 2gqs h ASP 125 CO 0.15 0.52 0.28 0.00 -1.72 0.00 0.00 179.24 178.46 2gqs h ALA 126 N 1.53 1.03 -0.68 3.45 0.00 -1.96 -0.53 119.26 122.11 2gqs h ALA 126 Ca 0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2gqs h ALA 126 Cb 0.40 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2gqs h ALA 126 CO -0.21 -0.23 0.00 -1.33 0.00 0.00 0.00 179.25 177.48 2gqs n MET 127 N -5.03 3.12 -3.24 0.00 2.81 -0.87 -4.96 117.12 108.95 2gqs n MET 127 Ca 0.14 -2.68 -0.16 0.00 -1.81 0.00 0.00 57.70 53.19 2gqs n MET 127 Cb 0.42 -1.71 0.06 0.00 -0.71 0.00 0.00 33.22 31.28 2gqs n MET 127 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2gqs n HIS 128 N 1.38 -1.97 -3.67 2.03 -0.00 -0.21 -3.77 115.22 109.02 2gqs n HIS 128 Ca 0.25 0.70 -0.27 0.00 -0.00 0.00 0.00 57.72 58.39 2gqs n HIS 128 Cb 0.73 -3.82 0.02 0.00 -0.00 0.00 0.00 29.99 26.92 2gqs n HIS 128 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2gqs n ASP 129 N -1.68 -5.44 -4.77 0.41 8.00 -0.15 -4.86 116.55 108.06 2gqs n ASP 129 Ca -0.01 -0.90 -0.40 0.00 0.71 0.00 0.00 54.79 54.19 2gqs n ASP 129 Cb 0.55 -3.02 0.02 0.00 -0.02 0.00 0.00 41.12 38.65 2gqs n ASP 129 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2gqs s PRO 130 N -5.48 3.75 0.30 -0.24 0.04 -1.25 -4.48 135.00 127.64 2gqs s PRO 130 Ca 0.29 2.47 -0.29 0.00 0.04 0.00 0.00 61.00 63.51 2gqs s PRO 130 Cb -0.12 -2.71 -0.10 0.00 0.04 0.00 0.00 34.50 31.61 2gqs s PRO 130 CO 0.87 -0.79 1.24 1.41 0.04 0.00 0.00 177.00 179.77 2gqs s MET 131 N -2.40 4.45 0.09 4.56 -2.45 -1.26 -0.81 119.30 121.48 2gqs s MET 131 Ca 0.60 2.07 0.01 0.00 -1.25 0.00 0.00 55.69 57.12 2gqs s MET 131 Cb -0.45 -3.12 -0.00 0.00 1.25 0.00 0.00 34.83 32.50 2gqs s MET 131 CO 0.58 -0.07 0.05 1.33 1.05 0.00 0.00 175.02 177.96 2gqs n VAL 132 N 1.17 0.00 -3.92 10.11 0.24 -0.44 -4.85 118.33 120.64 2gqs n VAL 132 Ca 0.00 -0.57 -0.06 0.00 -2.04 0.00 0.00 64.34 61.67 2gqs n VAL 132 Cb 0.43 0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 33.01 2gqs n VAL 132 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2gqs n ASN 133 N -2.18 -0.40 -0.17 -1.34 0.23 -1.26 -4.33 115.26 105.80 2gqs n ASN 133 Ca -0.00 -1.77 -0.00 0.00 -0.53 0.00 0.00 54.58 52.28 2gqs n ASN 133 Cb 0.15 0.81 0.24 0.00 -2.08 0.00 0.00 39.78 38.90 2gqs n ASN 133 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2gqs h GLU 134 N 0.00 0.91 -0.54 -3.83 5.08 -2.01 -2.74 114.58 111.45 2gqs h GLU 134 Ca -0.10 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2gqs h GLU 134 Cb 0.45 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 2gqs h GLU 134 CO 0.13 0.66 0.29 0.66 -1.00 0.00 0.00 179.01 179.76 2gqs h SER 135 N 0.92 0.65 -0.63 1.42 4.64 -2.00 -1.80 113.55 116.76 2gqs h SER 135 Ca 0.24 -0.04 -0.05 0.00 -0.47 0.00 0.00 61.79 61.47 2gqs h SER 135 Cb 0.01 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 2gqs h SER 135 CO -0.04 0.53 0.22 1.88 -0.87 0.00 0.00 176.83 178.55 2gqs h TYR 136 N 0.75 1.01 -0.52 4.77 0.99 -1.90 -1.26 116.97 120.81 2gqs h TYR 136 Ca 0.19 -0.08 -0.04 0.00 2.00 0.00 0.00 58.73 60.80 2gqs h TYR 136 Cb 0.02 -0.30 -0.02 0.00 1.00 0.00 0.00 36.73 37.42 2gqs h TYR 136 CO 0.00 0.80 0.17 0.00 -0.00 0.00 0.00 178.16 179.13 2gqs h GLU 138 N 0.75 -0.02 -0.45 0.00 4.57 -1.24 -0.90 114.58 117.29 2gqs h GLU 138 Ca 0.17 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.35 2gqs h GLU 138 Cb 0.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.78 2gqs h GLU 138 CO -0.01 0.71 0.25 1.15 -1.18 0.00 0.00 179.01 179.92 2gqs h THR 139 N -0.79 1.16 -0.17 0.32 2.02 -1.20 -2.81 112.91 111.45 2gqs h THR 139 Ca -0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2gqs h THR 139 Cb 0.73 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2gqs h THR 139 CO 0.00 0.17 0.00 0.49 0.37 0.00 0.00 175.52 176.55 2gqs n PHE 140 N -4.70 0.21 -3.69 3.16 3.01 -0.26 -4.96 117.46 110.24 2gqs n PHE 140 Ca 0.01 -0.11 -0.26 0.00 1.01 0.00 0.00 57.45 58.11 2gqs n PHE 140 Cb 0.08 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 39.61 2gqs n PHE 140 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2gqs n GLY 141 N 1.22 -0.53 0.09 1.37 0.00 -0.76 -4.91 105.19 101.66 2gqs n GLY 141 Ca 0.17 0.24 -0.08 0.00 0.00 0.00 0.00 46.02 46.34 2gqs n GLY 141 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2gqs h TRP 142 N -2.50 0.16 -1.74 1.61 6.55 -1.45 -3.47 115.95 115.11 2gqs h TRP 142 Ca -0.57 -0.10 0.02 0.00 0.95 0.00 0.00 58.89 59.19 2gqs h TRP 142 Cb 1.37 -0.01 -0.24 0.00 -0.86 0.00 0.00 29.16 29.42 2gqs h TRP 142 CO 0.52 1.01 0.35 0.54 -1.05 0.00 0.00 178.44 179.82 2gqs s VAL 143 N -2.89 0.00 0.77 1.49 0.11 -1.23 -4.71 120.40 113.94 2gqs s VAL 143 Ca -0.01 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.91 2gqs s VAL 143 Cb 0.10 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2gqs s VAL 143 CO 0.83 0.00 1.14 -0.94 -3.33 0.00 0.00 175.10 172.80 2gqs s SER 144 N -0.01 4.16 0.26 3.54 1.04 -1.26 -4.37 113.70 117.06 2gqs s SER 144 Ca 0.01 2.11 -0.03 0.00 0.48 0.00 0.00 55.95 58.51 2gqs s SER 144 Cb -0.04 -2.56 0.37 0.00 0.10 0.00 0.00 66.02 63.89 2gqs s SER 144 CO -0.02 -2.27 1.89 0.11 0.98 0.00 0.00 173.24 173.93 2gqs h LYS 145 N -0.80 1.17 0.06 4.02 1.57 -1.97 -1.39 116.57 119.23 2gqs h LYS 145 Ca -0.45 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.25 2gqs h LYS 145 Cb 1.26 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2gqs h LYS 145 CO 0.49 0.77 -0.03 1.49 -0.57 0.00 0.00 179.45 181.60 2gqs h GLU 146 N 1.20 -0.08 -0.50 3.15 4.81 -2.00 -2.26 114.58 118.90 2gqs h GLU 146 Ca 0.42 0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.60 2gqs h GLU 146 Cb 0.10 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2gqs h GLU 146 CO -0.15 0.11 0.11 -0.91 -0.73 0.00 0.00 179.01 177.44 2gqs h ASN 147 N -0.26 0.71 -0.27 1.04 -0.26 -1.88 -2.43 115.58 112.23 2gqs h ASN 147 Ca -0.01 -0.13 -0.02 0.00 -0.56 0.00 0.00 56.30 55.59 2gqs h ASN 147 Cb 0.23 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.29 2gqs h ASN 147 CO 0.01 0.71 0.11 0.25 -1.06 0.00 0.00 177.43 177.46 2gqs h LEU 148 N 0.74 0.37 -1.61 1.61 5.85 -1.19 -0.43 115.31 120.66 2gqs h LEU 148 Ca 0.16 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2gqs h LEU 148 Cb 0.29 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2gqs h LEU 148 CO -0.00 0.43 0.35 0.00 -0.34 0.00 0.00 178.44 178.88 2gqs h ALA 149 N 0.96 1.86 -0.14 1.25 0.00 -1.13 0.32 119.26 122.38 2gqs h ALA 149 Ca 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 2gqs h ALA 149 Cb 0.18 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2gqs h ALA 149 CO -0.01 0.05 -0.65 -0.09 0.00 0.00 0.00 179.25 178.56 2gqs h ARG 150 N 0.49 0.53 -0.55 0.00 9.65 -0.94 -0.99 114.38 122.56 2gqs h ARG 150 Ca 0.22 -0.38 -0.03 0.00 -1.10 0.00 0.00 59.98 58.69 2gqs h ARG 150 Cb 0.26 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 28.88 2gqs h ARG 150 CO -0.06 1.00 0.22 0.52 2.80 0.00 0.00 179.97 184.45 2gqs h MET 151 N 0.38 0.83 -0.24 0.20 2.86 0.68 -0.63 114.93 119.01 2gqs h MET 151 Ca -0.01 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.40 2gqs h MET 151 Cb 1.22 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 32.74 2gqs h MET 151 CO 0.12 0.72 -0.16 0.87 1.06 0.00 0.00 176.91 179.52 2gqs h LYS 152 N 0.76 0.53 -0.17 1.72 1.57 -1.03 -1.65 116.57 118.28 2gqs h LYS 152 Ca 0.18 -0.25 0.04 0.00 -1.87 0.00 0.00 60.65 58.76 2gqs h LYS 152 Cb 0.20 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.46 2gqs h LYS 152 CO -0.01 0.82 -0.12 1.49 -0.57 0.00 0.00 179.45 181.05 2gqs h GLU 153 N 0.24 -0.11 -0.76 3.15 4.81 -1.01 -0.57 114.58 120.33 2gqs h GLU 153 Ca 0.05 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2gqs h GLU 153 Cb 0.68 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.06 2gqs h GLU 153 CO 0.04 -0.08 0.25 -0.07 -0.73 0.00 0.00 179.01 178.43 2gqs h LEU 154 N -0.12 1.09 -0.32 1.64 3.38 -1.10 -1.38 115.31 118.50 2gqs h LEU 154 Ca 0.10 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2gqs h LEU 154 Cb 0.27 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 2gqs h LEU 154 CO -0.25 1.00 0.20 0.74 0.09 0.00 0.00 178.44 180.22 2gqs h THR 155 N 1.12 1.10 -0.55 0.22 2.02 -0.83 0.26 112.91 116.24 2gqs h THR 155 Ca 0.25 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.17 2gqs h THR 155 Cb 0.29 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2gqs h THR 155 CO -0.01 0.09 0.13 1.88 0.37 0.00 0.00 175.52 177.98 2gqs h TYR 156 N 0.42 0.88 -0.62 3.16 -1.99 -0.89 -0.57 116.97 117.36 2gqs h TYR 156 Ca 0.12 -0.08 -0.09 0.00 2.00 0.00 0.00 58.73 60.67 2gqs h TYR 156 Cb -0.02 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 38.43 2gqs h TYR 156 CO -0.05 0.74 0.03 -0.22 -0.00 0.00 0.00 178.16 178.66 2gqs h LYS 157 N 0.82 1.08 -0.72 4.88 3.64 -0.64 -1.41 116.57 124.21 2gqs h LYS 157 Ca 0.18 -0.33 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2gqs h LYS 157 Cb 0.31 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 2gqs h LYS 157 CO -0.00 1.03 0.42 0.00 -2.27 0.00 0.00 179.45 178.63 2gqs h ALA 158 N 1.03 1.39 -0.44 5.00 0.00 0.28 -1.53 119.26 124.98 2gqs h ALA 158 Ca 0.18 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2gqs h ALA 158 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2gqs h ALA 158 CO 0.03 0.52 0.11 -0.97 0.00 0.00 0.00 179.25 178.94 2gqs h ASN 159 N 1.00 0.66 -0.49 0.00 -1.24 -0.55 0.49 115.58 115.44 2gqs h ASN 159 Ca 0.26 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.03 2gqs h ASN 159 Cb -0.02 -0.17 -0.02 0.00 0.73 0.00 0.00 38.32 38.83 2gqs h ASN 159 CO -0.05 0.71 0.28 0.44 -1.29 0.00 0.00 177.43 177.52 2gqs h ASP 160 N 0.57 0.61 0.23 1.15 3.32 -0.60 -0.37 116.42 121.33 2gqs h ASP 160 Ca 0.14 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 2gqs h ASP 160 Cb 0.31 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.71 2gqs h ASP 160 CO 0.00 0.51 -0.11 0.58 -1.72 0.00 0.00 179.24 178.50 2gqs h VAL 161 N 0.65 0.84 0.00 -1.35 2.07 -1.15 -3.14 116.25 114.18 2gqs h VAL 161 Ca 0.17 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.16 2gqs h VAL 161 Cb 0.04 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2gqs h VAL 161 CO -0.03 0.10 -0.41 -0.07 0.02 0.00 0.00 177.57 177.18 2gqs h LEU 162 N -0.54 0.00 -0.72 2.57 3.38 -0.85 -1.51 115.31 117.65 2gqs h LEU 162 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2gqs h LEU 162 Cb 0.40 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 2gqs h LEU 162 CO 0.05 0.41 0.23 0.11 0.09 0.00 0.00 178.44 179.33 2gqs h LYS 163 N 0.00 1.11 -0.13 1.13 1.57 -1.10 0.19 116.57 119.33 2gqs h LYS 163 Ca -0.00 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.51 2gqs h LYS 163 Cb 0.81 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2gqs h LYS 163 CO 0.05 0.95 -0.04 0.87 -0.57 0.00 0.00 179.45 180.72 2gqs h LYS 164 N 1.06 0.26 -0.03 3.15 1.57 -1.44 -0.50 116.57 120.63 2gqs h LYS 164 Ca 0.23 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.93 2gqs h LYS 164 Cb 0.30 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 2gqs h LYS 164 CO -0.01 0.56 -0.12 1.25 -0.57 0.00 0.00 179.45 180.56 2gqs h LEU 165 N -0.06 -0.35 -0.68 2.94 5.85 -1.02 -1.63 115.31 120.35 2gqs h LEU 165 Ca 0.03 0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 2gqs h LEU 165 Cb 0.47 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 2gqs h LEU 165 CO 0.01 -0.17 -0.35 -0.26 -0.34 0.00 0.00 178.44 177.33 2gqs h PHE 166 N -0.19 0.74 -0.63 1.25 -1.00 -0.65 -2.93 116.94 113.53 2gqs h PHE 166 Ca 0.05 -0.20 0.01 0.00 2.81 0.00 0.00 57.97 60.64 2gqs h PHE 166 Cb 0.26 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.62 2gqs h PHE 166 CO -0.19 0.90 0.42 0.22 -1.61 0.00 0.00 178.31 178.04 2gqs h ASP 167 N 0.53 0.73 0.23 2.17 3.58 -0.83 0.12 116.42 122.95 2gqs h ASP 167 Ca 0.06 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 2gqs h ASP 167 Cb 0.85 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 41.72 2gqs h ASP 167 CO 0.07 0.53 -0.04 0.44 -2.88 0.00 0.00 179.24 177.36 2gqs h ASP 168 N 0.86 0.00 -0.42 2.28 3.32 -1.20 -0.22 116.42 121.05 2gqs h ASP 168 Ca 0.23 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2gqs h ASP 168 Cb -0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.45 2gqs h ASP 168 CO -0.05 0.04 0.00 0.00 -1.72 0.00 0.00 179.24 177.51 2gqs n ALA 169 N -2.22 3.05 -2.40 3.45 0.00 0.02 -4.90 120.51 117.51 2gqs n ALA 169 Ca -0.02 -1.11 -0.16 0.00 0.00 0.00 0.00 53.44 52.15 2gqs n ALA 169 Cb 0.16 -1.04 -0.00 0.00 0.00 0.00 0.00 19.45 18.57 2gqs n ALA 169 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gqs n GLY 170 N 0.72 -0.27 3.23 0.00 0.00 -0.09 -4.89 105.19 103.90 2gqs n GLY 170 Ca 0.17 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 2gqs n GLY 170 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gqs s LEU 171 N -4.63 2.41 -0.24 0.99 1.43 0.22 -1.53 118.68 117.32 2gqs s LEU 171 Ca 0.05 -0.82 -0.06 0.00 -1.03 0.00 0.00 54.13 52.26 2gqs s LEU 171 Cb -0.02 -0.49 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 2gqs s LEU 171 CO 0.06 -0.18 0.04 -0.63 0.23 0.00 0.00 176.35 175.86 2gqs s ILE 172 N -2.26 4.02 -0.86 -0.59 1.01 0.17 -2.75 121.20 119.94 2gqs s ILE 172 Ca 0.08 -0.29 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 2gqs s ILE 172 Cb -0.04 -2.87 0.07 0.00 0.01 0.00 0.00 42.46 39.63 2gqs s ILE 172 CO 0.02 0.36 1.23 -0.22 0.00 0.00 0.00 174.94 176.33 2gqs s LEU 173 N 1.57 4.00 0.02 2.97 2.96 -1.26 -1.41 118.68 127.52 2gqs s LEU 173 Ca 0.06 -1.28 -0.25 0.00 -0.22 0.00 0.00 54.13 52.44 2gqs s LEU 173 Cb -0.15 -2.49 -0.17 0.00 0.50 0.00 0.00 46.19 43.88 2gqs s LEU 173 CO 0.01 -1.46 1.30 0.58 -1.32 0.00 0.00 176.35 175.46 2gqs h VAL 174 N 6.22 0.76 -2.84 1.68 2.07 -1.49 -3.42 116.25 119.22 2gqs h VAL 174 Ca -0.02 -0.57 0.06 0.00 0.82 0.00 0.00 66.70 66.99 2gqs h VAL 174 Cb 1.04 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2gqs h VAL 174 CO 1.27 0.12 0.34 1.51 0.02 0.00 0.00 177.57 180.82 2gqs s ASP 175 N -5.10 -0.10 -0.01 0.57 1.47 -1.24 0.46 116.67 112.72 2gqs s ASP 175 Ca -0.14 -0.82 -0.30 0.00 1.18 0.00 0.00 52.55 52.46 2gqs s ASP 175 Cb 0.02 0.72 0.11 0.00 -0.34 0.00 0.00 42.92 43.43 2gqs s ASP 175 CO 0.57 -1.39 1.10 0.72 0.68 0.00 0.00 175.17 176.85 2gqs s PHE 176 N -2.88 -0.15 0.03 2.11 -0.12 -0.90 -0.79 117.98 115.28 2gqs s PHE 176 Ca 0.15 0.01 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 2gqs s PHE 176 Cb -0.04 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 42.88 2gqs s PHE 176 CO 0.08 -0.46 -0.19 0.21 -0.05 0.00 0.00 175.22 174.81 2gqs s LYS 177 N -2.80 1.36 0.10 1.99 2.36 0.07 -2.32 119.74 120.51 2gqs s LYS 177 Ca 0.10 -0.84 0.04 0.00 -2.55 0.00 0.00 55.97 52.72 2gqs s LYS 177 Cb 0.01 -1.42 -0.04 0.00 -1.05 0.00 0.00 37.83 35.33 2gqs s LYS 177 CO -0.04 0.37 -0.10 -0.51 1.55 0.00 0.00 175.35 176.62 2gqs s LEU 178 N -0.96 2.41 -0.03 5.43 1.43 0.06 -4.87 118.68 122.15 2gqs s LEU 178 Ca 0.07 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.37 2gqs s LEU 178 Cb -0.08 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.82 2gqs s LEU 178 CO 0.01 -0.26 -0.09 -1.61 0.23 0.00 0.00 176.35 174.63 2gqs s GLU 179 N -2.83 1.06 0.31 1.70 2.02 -1.26 -1.21 118.70 118.50 2gqs s GLU 179 Ca 0.06 -0.32 0.09 0.00 0.02 0.00 0.00 54.97 54.83 2gqs s GLU 179 Cb -0.03 -0.97 -0.05 0.00 0.10 0.00 0.00 34.13 33.18 2gqs s GLU 179 CO 0.00 0.10 -0.02 -0.06 0.02 0.00 0.00 175.26 175.31 2gqs s PHE 180 N 0.28 2.55 0.15 1.61 0.40 -1.26 -1.25 117.98 120.45 2gqs s PHE 180 Ca -0.05 -0.37 -0.10 0.00 -0.60 0.00 0.00 56.93 55.81 2gqs s PHE 180 Cb -0.10 -1.36 0.00 0.00 0.51 0.00 0.00 43.02 42.08 2gqs s PHE 180 CO 0.01 0.54 0.30 0.20 0.70 0.00 0.00 175.22 176.97 2gqs s GLY 181 N -3.68 0.26 -0.13 4.36 0.00 0.48 -0.77 107.32 107.83 2gqs s GLY 181 Ca 0.33 -0.68 -0.12 0.00 0.00 0.00 0.00 44.72 44.25 2gqs s GLY 181 CO 0.19 -0.72 0.26 1.08 0.00 0.00 0.00 173.10 173.91 2gqs s LEU 182 N -2.92 4.31 -0.25 0.66 1.43 -0.56 0.61 118.68 121.95 2gqs s LEU 182 Ca 0.12 0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.77 2gqs s LEU 182 Cb 0.03 -2.32 0.07 0.00 0.03 0.00 0.00 46.19 44.01 2gqs s LEU 182 CO -0.04 0.21 0.00 -0.47 0.23 0.00 0.00 176.35 176.28 2gqs s TYR 183 N -0.10 2.16 -1.46 0.29 5.04 0.36 -0.49 117.35 123.15 2gqs s TYR 183 Ca 0.16 -1.72 -0.09 0.00 -2.44 0.00 0.00 57.07 52.98 2gqs s TYR 183 Cb -0.13 -1.64 0.06 0.00 0.35 0.00 0.00 41.96 40.59 2gqs s TYR 183 CO 0.05 -0.78 0.90 1.63 -1.34 0.00 0.00 175.55 176.01 2gqs n LYS 184 N 4.73 -5.44 0.00 4.97 5.02 -1.26 -1.83 118.16 124.35 2gqs n LYS 184 Ca -0.08 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 2gqs n LYS 184 Cb 0.44 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.05 2gqs n LYS 184 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2gqs n GLY 185 N -1.68 2.95 3.84 0.72 0.00 -1.26 -5.03 105.19 104.74 2gqs n GLY 185 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2gqs n GLY 185 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2gqs s GLU 186 N -0.20 4.00 -0.08 1.61 -1.05 -0.76 -5.00 118.70 117.21 2gqs s GLU 186 Ca 0.00 0.52 -0.30 0.00 -0.15 0.00 0.00 54.97 55.05 2gqs s GLU 186 Cb 0.00 -2.87 -0.03 0.00 -0.44 0.00 0.00 34.13 30.79 2gqs s GLU 186 CO 0.00 0.44 1.19 0.08 0.95 0.00 0.00 175.26 177.91 2gqs s VAL 187 N -1.53 4.32 0.02 1.83 1.01 -1.26 -0.48 120.40 124.30 2gqs s VAL 187 Ca 0.40 1.63 0.05 0.00 0.00 0.00 0.00 61.98 64.06 2gqs s VAL 187 Cb -0.15 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 2gqs s VAL 187 CO 0.19 -0.03 -0.15 -0.69 0.00 0.00 0.00 175.10 174.43 2gqs s VAL 188 N 2.41 1.19 0.07 2.92 1.01 0.20 -4.84 120.40 123.35 2gqs s VAL 188 Ca 0.55 -0.86 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 2gqs s VAL 188 Cb -0.23 -1.03 -0.06 0.00 0.00 0.00 0.00 36.38 35.05 2gqs s VAL 188 CO 0.20 0.16 1.27 -0.22 0.00 0.00 0.00 175.10 176.52 2gqs s LEU 189 N -0.81 4.36 0.00 3.92 2.96 -0.46 -0.39 118.68 128.26 2gqs s LEU 189 Ca 0.04 2.11 0.00 0.00 -0.22 0.00 0.00 54.13 56.06 2gqs s LEU 189 Cb -0.07 -3.58 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2gqs s LEU 189 CO 0.01 -0.55 0.00 0.61 -1.32 0.00 0.00 176.35 175.09 2gqs n GLY 190 N 3.34 5.90 7.00 7.98 0.00 -0.38 -0.66 105.19 128.38 2gqs n GLY 190 Ca 0.10 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2gqs n GLY 190 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2gqs n ASP 191 N 0.00 0.00 -3.55 1.61 2.03 -1.26 -4.53 116.55 110.85 2gqs n ASP 191 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 2gqs n ASP 191 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2gqs n ASP 191 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2gqs s GLU 192 N 0.00 1.29 -0.15 -0.67 -1.05 -1.26 -5.09 118.70 111.77 2gqs s GLU 192 Ca 0.00 -0.62 -0.01 0.00 -0.15 0.00 0.00 54.97 54.19 2gqs s GLU 192 Cb 0.00 0.55 0.04 0.00 -0.44 0.00 0.00 34.13 34.29 2gqs s GLU 192 CO 0.00 -0.55 -0.03 0.12 0.95 0.00 0.00 175.26 175.75 2gqs s PHE 193 N -3.79 1.35 0.28 4.83 2.19 -1.26 -4.85 117.98 116.73 2gqs s PHE 193 Ca 0.03 -0.83 -0.07 0.00 0.33 0.00 0.00 56.93 56.39 2gqs s PHE 193 Cb -0.01 -1.15 0.03 0.00 -1.31 0.00 0.00 43.02 40.58 2gqs s PHE 193 CO -0.10 -0.55 0.49 -1.13 1.83 0.00 0.00 175.22 175.76 2gqs n SER 194 N 4.97 -1.41 0.00 6.13 3.41 -1.26 -3.74 113.62 121.71 2gqs n SER 194 Ca -0.10 -2.29 0.06 0.00 -0.26 0.00 0.00 58.87 56.28 2gqs n SER 194 Cb 0.48 2.44 0.28 0.00 -0.26 0.00 0.00 64.21 67.15 2gqs n SER 194 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 2gqs n PRO 195 N -0.41 0.00 -0.06 4.33 -0.02 -1.26 -2.20 135.00 135.38 2gqs n PRO 195 Ca -0.04 0.27 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 2gqs n PRO 195 Cb 0.44 -1.50 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 2gqs n PRO 195 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2gqs h ASP 196 N 0.00 0.93 -0.47 2.55 5.19 -1.95 -1.52 116.42 121.15 2gqs h ASP 196 Ca 0.00 -0.57 -0.30 0.00 -0.62 0.00 0.00 57.03 55.54 2gqs h ASP 196 Cb 0.22 -0.27 -0.20 0.00 0.18 0.00 0.00 39.33 39.27 2gqs h ASP 196 CO 0.00 1.33 -0.24 0.61 -3.12 0.00 0.00 179.24 177.82 2gqs n GLY 197 N 0.49 5.44 3.35 2.75 0.00 -0.93 -4.72 105.19 111.56 2gqs n GLY 197 Ca -0.06 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.13 2gqs n GLY 197 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2gqs s SER 198 N -2.85 -0.31 -0.14 1.61 1.04 -1.13 -0.75 113.70 111.17 2gqs s SER 198 Ca 0.47 -0.26 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 2gqs s SER 198 Cb 0.41 0.50 -0.01 0.00 0.10 0.00 0.00 66.02 67.03 2gqs s SER 198 CO -0.00 -0.88 -0.13 -0.13 0.98 0.00 0.00 173.24 173.07 2gqs s ARG 199 N -3.79 3.36 -0.12 4.02 0.52 0.03 -4.40 118.95 118.57 2gqs s ARG 199 Ca 0.03 -0.69 -0.02 0.00 -0.52 0.00 0.00 55.73 54.53 2gqs s ARG 199 Cb 0.01 -2.65 0.04 0.00 0.52 0.00 0.00 34.95 32.87 2gqs s ARG 199 CO -0.12 0.16 -0.00 -0.51 0.02 0.00 0.00 175.30 174.85 2gqs s LEU 200 N 0.48 0.95 -0.02 2.53 1.43 -1.26 -1.13 118.68 121.67 2gqs s LEU 200 Ca -0.09 -0.40 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 2gqs s LEU 200 Cb -0.16 -0.59 -0.03 0.00 0.03 0.00 0.00 46.19 45.44 2gqs s LEU 200 CO 0.04 -0.22 -0.04 0.26 0.23 0.00 0.00 176.35 176.63 2gqs s TRP 201 N 1.87 2.99 0.11 0.29 0.51 -0.50 -0.88 118.94 123.32 2gqs s TRP 201 Ca 0.03 0.03 -0.31 0.00 -2.12 0.00 0.00 56.10 53.73 2gqs s TRP 201 Cb -0.14 -1.66 -0.08 0.00 -0.81 0.00 0.00 33.47 30.77 2gqs s TRP 201 CO -0.07 0.41 1.50 0.34 -0.51 0.00 0.00 176.95 178.62 2gqs s ASP 202 N -1.32 6.71 0.38 2.95 -1.08 -0.29 0.44 116.67 124.47 2gqs s ASP 202 Ca 0.17 2.42 0.12 0.00 -0.52 0.00 0.00 52.55 54.74 2gqs s ASP 202 Cb -0.11 -2.58 0.91 0.00 -1.46 0.00 0.00 42.92 39.68 2gqs s ASP 202 CO 0.07 -0.76 1.89 0.50 0.52 0.00 0.00 175.17 177.38 2gqs h LYS 203 N 7.26 0.57 0.07 4.34 3.64 -1.58 0.39 116.57 131.26 2gqs h LYS 203 Ca -0.42 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 58.71 2gqs h LYS 203 Cb 1.20 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2gqs h LYS 203 CO 0.90 0.37 -1.14 1.49 -2.27 0.00 0.00 179.45 178.80 2gqs h GLU 204 N 0.58 0.15 -0.01 1.90 4.57 -1.89 -3.40 114.58 116.48 2gqs h GLU 204 Ca 0.42 -0.26 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2gqs h GLU 204 Cb 0.77 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2gqs h GLU 204 CO -0.17 1.12 -0.58 0.25 -1.18 0.00 0.00 179.01 178.45 2gqs n THR 205 N -4.15 0.00 -1.49 0.32 -2.24 -1.21 -4.98 114.28 100.54 2gqs n THR 205 Ca -0.24 -0.21 -0.17 0.00 -2.27 0.00 0.00 64.05 61.16 2gqs n THR 205 Cb 0.78 1.11 -0.07 0.00 -2.10 0.00 0.00 70.33 70.05 2gqs n THR 205 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2gqs n LEU 206 N -0.74 -1.19 -4.74 3.22 4.77 0.14 -4.94 117.00 113.52 2gqs n LEU 206 Ca 0.05 0.42 -0.41 0.00 -0.03 0.00 0.00 56.01 56.04 2gqs n LEU 206 Cb 0.32 -2.48 -0.03 0.00 -2.33 0.00 0.00 43.42 38.90 2gqs n LEU 206 CO 0.28 -0.92 1.03 -0.70 -1.33 0.00 0.00 177.39 175.75 2gqs s GLU 207 N -3.41 4.34 -0.06 3.23 2.12 -1.26 -4.54 118.70 119.12 2gqs s GLU 207 Ca 0.00 2.16 -0.30 0.00 0.36 0.00 0.00 54.97 57.20 2gqs s GLU 207 Cb 0.00 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 2gqs s GLU 207 CO 0.00 -0.30 1.03 0.15 -0.54 0.00 0.00 175.26 175.60 2gqs s LYS 208 N -0.45 4.46 -0.46 4.30 1.02 -1.26 -1.14 119.74 126.21 2gqs s LYS 208 Ca 0.56 1.45 0.08 0.00 0.02 0.00 0.00 55.97 58.08 2gqs s LYS 208 Cb -0.39 -3.51 0.38 0.00 -0.52 0.00 0.00 37.83 33.80 2gqs s LYS 208 CO 0.42 -0.25 0.96 -1.33 -0.92 0.00 0.00 175.35 174.23 2gqs n MET 209 N 4.65 2.59 -1.33 1.68 2.81 -0.06 -4.84 117.12 122.62 2gqs n MET 209 Ca 0.08 -4.26 0.00 0.00 -1.81 0.00 0.00 57.70 51.72 2gqs n MET 209 Cb 0.49 -2.00 0.00 0.00 -0.71 0.00 0.00 33.22 31.00 2gqs n MET 209 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2gqs n ASP 210 N -0.20 0.00 0.00 7.83 5.68 -1.26 -4.61 116.55 123.99 2gqs n ASP 210 Ca 0.29 -0.81 0.04 0.00 -0.50 0.00 0.00 54.79 53.81 2gqs n ASP 210 Cb 0.58 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.75 2gqs n ASP 210 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 2gqs n LYS 211 N 0.00 0.09 0.24 0.11 4.81 -0.57 -1.80 118.16 121.04 2gqs n LYS 211 Ca 0.00 0.24 0.10 0.00 -0.87 0.00 0.00 58.31 57.78 2gqs n LYS 211 Cb 0.00 -1.50 0.61 0.00 0.02 0.00 0.00 35.03 34.16 2gqs n LYS 211 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2gqs h ASP 212 N 0.00 0.00 -0.05 3.14 3.32 -1.90 -0.38 116.42 120.54 2gqs h ASP 212 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2gqs h ASP 212 Cb 0.08 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 2gqs h ASP 212 CO 0.00 0.18 -0.00 0.03 -1.72 0.00 0.00 179.24 177.73 2gqs h ARG 213 N 0.00 0.17 0.07 3.56 3.08 -1.68 0.39 114.38 119.97 2gqs h ARG 213 Ca -0.00 -0.02 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 2gqs h ARG 213 Cb 0.43 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2gqs h ARG 213 CO 0.02 0.19 -0.75 0.35 -1.07 0.00 0.00 179.97 178.71 2gqs h PHE 214 N 0.17 0.28 -0.84 3.04 3.57 -1.34 0.68 116.94 122.50 2gqs h PHE 214 Ca 0.04 -0.20 0.10 0.00 3.53 0.00 0.00 57.97 61.44 2gqs h PHE 214 Cb 0.12 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.78 2gqs h PHE 214 CO 0.00 1.29 0.48 0.00 -2.23 0.00 0.00 178.31 177.86 2gqs h ARG 215 N -0.64 0.78 -0.66 1.11 3.08 -0.62 -2.31 114.38 115.12 2gqs h ARG 215 Ca -0.16 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.84 2gqs h ARG 215 Cb 1.42 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2gqs h ARG 215 CO 0.04 0.51 0.00 1.04 -1.07 0.00 0.00 179.97 180.49 2gqs n GLN 216 N -4.74 3.77 -3.99 0.04 6.02 0.13 -4.98 117.38 113.63 2gqs n GLN 216 Ca 0.14 -2.91 -0.37 0.00 -0.01 0.00 0.00 57.00 53.85 2gqs n GLN 216 Cb 0.29 -1.91 0.00 0.00 1.02 0.00 0.00 30.24 29.65 2gqs n GLN 216 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2gqs n SER 217 N 1.17 -2.98 -0.34 1.08 7.64 -0.87 -4.87 113.62 114.46 2gqs n SER 217 Ca 0.26 -1.18 0.11 0.00 1.01 0.00 0.00 58.87 59.08 2gqs n SER 217 Cb 0.90 -2.33 0.07 0.00 -1.01 0.00 0.00 64.21 61.84 2gqs n SER 217 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2gqs n LEU 218 N -4.65 1.58 -0.33 -3.43 4.77 0.20 -5.04 117.00 110.10 2gqs n LEU 218 Ca -0.17 -0.57 0.04 0.00 -0.03 0.00 0.00 56.01 55.27 2gqs n LEU 218 Cb 0.61 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 2gqs n LEU 218 CO 0.74 0.31 -0.11 0.61 -1.33 0.00 0.00 177.39 177.61 2gqs n GLY 219 N 1.42 -2.19 3.04 -0.72 0.00 -1.25 -4.95 105.19 100.54 2gqs n GLY 219 Ca 0.09 -1.40 -0.21 0.00 0.00 0.00 0.00 46.02 44.50 2gqs n GLY 219 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gqs n GLY 220 N -2.86 -0.40 0.45 -0.02 0.00 -1.26 -4.93 105.19 96.17 2gqs n GLY 220 Ca -0.01 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 2gqs n GLY 220 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2gqs h LEU 221 N -1.61 -1.12 -0.86 0.99 5.85 -1.92 -2.04 115.31 114.60 2gqs h LEU 221 Ca -0.49 0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.18 2gqs h LEU 221 Cb 1.33 0.33 -0.02 0.00 0.37 0.00 0.00 40.66 42.68 2gqs h LEU 221 CO 0.51 -0.65 -0.55 0.40 -0.34 0.00 0.00 178.44 177.81 2gqs h ILE 222 N -1.04 1.39 -0.74 4.05 2.04 -1.94 -2.23 117.51 119.04 2gqs h ILE 222 Ca -0.09 -1.87 0.03 0.00 1.00 0.00 0.00 64.86 63.93 2gqs h ILE 222 Cb 0.84 1.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.86 2gqs h ILE 222 CO 0.07 0.54 0.46 -0.08 0.00 0.00 0.00 178.15 179.15 2gqs h GLU 223 N 0.04 0.88 -0.46 2.37 4.81 -1.96 0.21 114.58 120.48 2gqs h GLU 223 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2gqs h GLU 223 Cb 0.98 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.15 2gqs h GLU 223 CO 0.07 0.58 -0.02 0.00 -0.73 0.00 0.00 179.01 178.92 2gqs h ALA 224 N 1.31 0.62 -0.06 2.92 0.00 -1.07 -0.54 119.26 122.44 2gqs h ALA 224 Ca 0.29 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2gqs h ALA 224 Cb 0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2gqs h ALA 224 CO -0.11 0.44 0.03 1.88 0.00 0.00 0.00 179.25 181.48 2gqs h TYR 225 N 0.67 0.05 -0.36 0.00 -1.99 -0.73 -1.48 116.97 113.13 2gqs h TYR 225 Ca 0.13 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 60.79 2gqs h TYR 225 Cb 0.53 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 2gqs h TYR 225 CO 0.04 0.03 -0.07 0.93 -0.00 0.00 0.00 178.16 179.09 2gqs h GLU 226 N 0.06 0.59 -0.86 4.88 5.08 -0.56 -0.50 114.58 123.27 2gqs h GLU 226 Ca 0.03 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.24 2gqs h GLU 226 Cb 0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 2gqs h GLU 226 CO -0.02 0.66 0.57 0.00 -1.00 0.00 0.00 179.01 179.22 2gqs h ALA 227 N 1.38 1.10 -0.44 3.43 0.00 -0.65 0.17 119.26 124.24 2gqs h ALA 227 Ca 0.11 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 2gqs h ALA 227 Cb 0.46 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2gqs h ALA 227 CO 0.02 0.48 -0.02 0.28 0.00 0.00 0.00 179.25 180.02 2gqs h VAL 228 N 1.15 1.26 -0.65 0.00 2.07 -0.65 -1.87 116.25 117.57 2gqs h VAL 228 Ca 0.32 -1.07 0.07 0.00 0.82 0.00 0.00 66.70 66.84 2gqs h VAL 228 Cb -0.11 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 30.67 2gqs h VAL 228 CO -0.08 0.37 0.35 0.00 0.02 0.00 0.00 177.57 178.23 2gqs h ALA 229 N 0.90 0.88 -0.58 1.67 0.00 -0.16 -1.57 119.26 120.40 2gqs h ALA 229 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 2gqs h ALA 229 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2gqs h ALA 229 CO 0.03 0.00 0.17 0.00 0.00 0.00 0.00 179.25 179.45 2gqs h ARG 230 N 0.63 0.90 -0.23 0.00 3.08 -0.45 0.24 114.38 118.57 2gqs h ARG 230 Ca 0.30 -0.20 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 2gqs h ARG 230 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2gqs h ARG 230 CO -0.20 0.82 -0.16 0.00 -1.07 0.00 0.00 179.97 179.36 2gqs h ARG 231 N 0.81 0.38 0.00 0.04 3.08 -0.87 -2.42 114.38 115.41 2gqs h ARG 231 Ca 0.18 -0.11 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 2gqs h ARG 231 Cb 0.31 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 2gqs h ARG 231 CO -0.00 0.54 -0.73 -0.07 -1.07 0.00 0.00 179.97 178.64 2gqs h LEU 232 N 0.36 0.00 -0.06 3.04 3.38 -1.03 -3.44 115.31 117.54 2gqs h LEU 232 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2gqs h LEU 232 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2gqs h LEU 232 CO 0.03 0.73 0.00 0.61 0.09 0.00 0.00 178.44 179.90 2gqs n GLY 233 N 1.15 1.43 3.62 0.83 0.00 0.18 -5.06 105.19 107.35 2gqs n GLY 233 Ca 0.01 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 2gqs n GLY 233 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gqs s VAL 234 N -2.06 4.80 -0.02 1.61 1.01 0.61 -5.01 120.40 121.33 2gqs s VAL 234 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 2gqs s VAL 234 Cb 0.00 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 2gqs s VAL 234 CO 0.00 -0.20 1.66 -1.10 0.00 0.00 0.00 175.10 175.46 2gqs s GLN 235 N 2.95 4.19 -0.03 2.72 -1.52 -1.26 -4.63 119.66 122.08 2gqs s GLN 235 Ca 0.34 2.23 0.07 0.00 -1.95 0.00 0.00 55.36 56.04 2gqs s GLN 235 Cb -0.14 -3.90 -0.11 0.00 -0.22 0.00 0.00 33.01 28.64 2gqs s GLN 235 CO 0.11 -0.82 0.12 1.28 -0.25 0.00 0.00 175.29 175.74 2gqs n LEU 236 N 6.78 0.00 0.00 2.90 4.77 -1.26 -4.97 117.00 125.22 2gqs n LEU 236 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2gqs n LEU 236 Cb 0.42 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2gqs n LEU 236 CO 0.63 0.05 0.13 0.47 -1.33 0.00 0.00 177.39 177.33