#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 0.72 0.19 0.03 0.74 -1.26 -5.14 119.66 114.93 2gqs s GLN 2 Ca 0.00 -0.43 -0.31 0.00 0.05 0.00 0.00 55.36 54.68 2gqs s GLN 2 Cb 0.00 0.31 -0.09 0.00 1.10 0.00 0.00 33.01 34.33 2gqs s GLN 2 CO 0.00 -0.21 1.40 0.15 -0.55 0.00 0.00 175.29 176.08 2gqs s LYS 3 N -2.10 4.31 -0.22 1.67 1.02 -1.26 -4.35 119.74 118.81 2gqs s LYS 3 Ca -0.08 2.17 -0.12 0.00 0.02 0.00 0.00 55.97 57.95 2gqs s LYS 3 Cb -0.03 -3.18 -0.18 0.00 -0.52 0.00 0.00 37.83 33.92 2gqs s LYS 3 CO -0.01 -0.40 -0.00 0.94 -0.92 0.00 0.00 175.35 174.97 2gqs n GLN 4 N 3.09 0.63 -3.53 1.68 7.27 0.13 -4.96 117.38 121.69 2gqs n GLN 4 Ca 0.09 0.34 -0.11 0.00 0.07 0.00 0.00 57.00 57.39 2gqs n GLN 4 Cb 0.41 -1.62 -0.04 0.00 2.41 0.00 0.00 30.24 31.40 2gqs n GLN 4 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2gqs s ALA 5 N -2.47 -1.83 -0.21 1.69 0.00 -1.25 -4.97 121.76 112.71 2gqs s ALA 5 Ca -0.32 1.24 -0.29 0.00 0.00 0.00 0.00 51.96 52.59 2gqs s ALA 5 Cb 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 2gqs s ALA 5 CO 0.60 -0.49 1.22 -2.00 0.00 0.00 0.00 175.76 175.09 2gqs s GLU 6 N -2.07 4.17 -0.12 0.00 2.12 -1.26 -1.64 118.70 119.91 2gqs s GLU 6 Ca -0.01 1.50 -0.18 0.00 0.36 0.00 0.00 54.97 56.64 2gqs s GLU 6 Cb -0.01 -3.76 -0.16 0.00 0.26 0.00 0.00 34.13 30.46 2gqs s GLU 6 CO -0.02 -0.78 0.51 -0.07 -0.54 0.00 0.00 175.26 174.36 2gqs h LEU 7 N 9.92 -0.02 -7.12 2.70 3.38 -0.95 -3.48 115.31 119.74 2gqs h LEU 7 Ca -0.25 -0.59 0.17 0.00 0.09 0.00 0.00 57.88 57.31 2gqs h LEU 7 Cb 1.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 2gqs h LEU 7 CO 0.99 0.76 0.60 -0.72 0.09 0.00 0.00 178.44 180.16 2gqs s TYR 8 N -2.11 -0.24 0.04 1.13 -0.85 -1.16 -5.04 117.35 109.12 2gqs s TYR 8 Ca -0.12 0.10 0.04 0.00 -0.52 0.00 0.00 57.07 56.57 2gqs s TYR 8 Cb -0.02 0.55 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 2gqs s TYR 8 CO 0.43 -0.48 -0.12 -0.98 -1.52 0.00 0.00 175.55 172.88 2gqs s ARG 9 N -2.91 0.78 0.00 -3.49 1.70 -1.26 -0.95 118.95 112.81 2gqs s ARG 9 Ca 0.08 -0.70 0.00 0.00 -0.47 0.00 0.00 55.73 54.63 2gqs s ARG 9 Cb -0.01 -0.74 0.00 0.00 -0.57 0.00 0.00 34.95 33.64 2gqs s ARG 9 CO -0.06 0.18 0.00 0.41 -1.08 0.00 0.00 175.30 174.75 2gqs n GLY 10 N 1.89 3.08 0.19 3.88 0.00 -0.04 -5.01 105.19 109.18 2gqs n GLY 10 Ca -0.19 -2.05 0.05 0.00 0.00 0.00 0.00 46.02 43.83 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 -2.00 -3.37 116.57 114.38 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 0.36 -0.53 0.00 -0.57 0.00 0.00 179.45 178.71 2gqs n ALA 12 N -2.38 1.26 -2.46 3.86 0.00 -1.26 -4.64 120.51 114.90 2gqs n ALA 12 Ca -0.01 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.26 2gqs n ALA 12 Cb 0.43 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 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 -1.16 1.03 -0.12 0.00 1.02 -1.26 -1.41 119.74 117.84 2gqs s LYS 13 Ca 0.00 -1.28 0.00 0.00 0.02 0.00 0.00 55.97 54.71 2gqs s LYS 13 Cb 0.00 -0.85 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 2gqs s LYS 13 CO 0.00 0.15 -0.12 0.99 -0.92 0.00 0.00 175.35 175.45 2gqs s THR 14 N -2.36 3.15 -0.22 2.17 2.01 -0.02 -0.86 115.64 119.52 2gqs s THR 14 Ca 0.10 -0.64 -0.08 0.00 0.31 0.00 0.00 61.69 61.39 2gqs s THR 14 Cb -0.04 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 2gqs s THR 14 CO 0.03 0.53 0.08 -0.69 -0.69 0.00 0.00 174.62 173.88 2gqs s VAL 15 N 0.18 4.67 0.22 3.82 1.01 -0.13 -0.66 120.40 129.51 2gqs s VAL 15 Ca -0.07 -0.06 0.11 0.00 0.00 0.00 0.00 61.98 61.95 2gqs s VAL 15 Cb -0.15 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 2gqs s VAL 15 CO 0.05 0.39 -0.15 -0.31 0.00 0.00 0.00 175.10 175.08 2gqs s TYR 16 N 1.00 2.46 0.46 5.22 1.51 0.22 -0.25 117.35 127.98 2gqs s TYR 16 Ca 0.04 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 2gqs s TYR 16 Cb -0.14 -1.15 0.01 0.00 -0.11 0.00 0.00 41.96 40.57 2gqs s TYR 16 CO 0.03 0.58 0.66 -1.54 -1.11 0.00 0.00 175.55 174.17 2gqs s SER 17 N -3.10 5.64 0.29 2.29 1.04 -0.65 -1.22 113.70 117.99 2gqs s SER 17 Ca 0.26 0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.75 2gqs s SER 17 Cb -0.07 -1.15 -0.02 0.00 0.10 0.00 0.00 66.02 64.89 2gqs s SER 17 CO 0.14 -0.82 0.15 0.35 0.98 0.00 0.00 173.24 174.04 2gqs n THR 18 N -2.07 0.00 0.22 2.02 -2.24 -1.21 0.21 114.28 111.22 2gqs n THR 18 Ca 0.04 -1.80 0.08 0.00 -2.27 0.00 0.00 64.05 60.10 2gqs n THR 18 Cb 0.59 0.74 0.52 0.00 -2.10 0.00 0.00 70.33 70.08 2gqs n THR 18 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2gqs h GLU 19 N 0.00 0.00 -5.93 -0.78 4.11 -1.89 -3.40 114.58 106.69 2gqs h GLU 19 Ca -0.22 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.62 2gqs h GLU 19 Cb 0.91 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.07 2gqs h GLU 19 CO 0.34 0.24 0.54 1.21 0.07 0.00 0.00 179.01 181.41 2gqs s ASN 20 N -6.49 6.78 0.58 3.06 3.84 -1.26 -4.93 114.94 116.52 2gqs s ASN 20 Ca -0.02 0.84 0.36 0.00 0.21 0.00 0.00 52.86 54.25 2gqs s ASN 20 Cb 0.13 -2.45 1.95 0.00 -0.55 0.00 0.00 41.25 40.33 2gqs s ASN 20 CO 0.65 -0.67 2.09 1.55 -2.79 0.00 0.00 177.10 177.93 2gqs h PRO 21 N 8.02 0.00 -0.31 0.43 0.13 -2.03 -1.67 132.00 136.58 2gqs h PRO 21 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2gqs h PRO 21 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2gqs h PRO 21 CO 0.93 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.45 2gqs n ASP 22 N -2.83 3.08 -4.24 1.44 8.00 -1.26 -4.88 116.55 115.86 2gqs n ASP 22 Ca -0.02 -1.90 -0.29 0.00 0.71 0.00 0.00 54.79 53.29 2gqs n ASP 22 Cb 0.14 -0.20 -0.16 0.00 -0.02 0.00 0.00 41.12 40.88 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 -1.30 2.03 0.20 0.64 1.43 -0.63 -0.70 118.68 120.35 2gqs s LEU 23 Ca 0.31 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2gqs s LEU 23 Cb 0.18 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 45.18 2gqs s LEU 23 CO 0.25 0.26 -0.13 -0.76 0.23 0.00 0.00 176.35 176.21 2gqs s LEU 24 N -0.41 2.54 -0.12 1.79 1.43 0.87 -3.33 118.68 121.45 2gqs s LEU 24 Ca 0.05 -1.04 0.01 0.00 -1.03 0.00 0.00 54.13 52.12 2gqs s LEU 24 Cb -0.10 -0.61 -0.01 0.00 0.03 0.00 0.00 46.19 45.49 2gqs s LEU 24 CO 0.00 -0.22 -0.14 -0.69 0.23 0.00 0.00 176.35 175.53 2gqs s VAL 25 N -3.04 2.96 -0.16 -1.59 1.01 -0.36 -0.51 120.40 118.71 2gqs s VAL 25 Ca 0.22 -0.70 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2gqs s VAL 25 Cb 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 2gqs s VAL 25 CO 0.06 0.54 -0.02 -0.76 0.00 0.00 0.00 175.10 174.92 2gqs s LEU 26 N 0.21 3.32 -0.19 3.92 1.43 -0.09 -0.61 118.68 126.67 2gqs s LEU 26 Ca -0.09 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.87 2gqs s LEU 26 Cb -0.15 -1.81 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 2gqs s LEU 26 CO 0.05 0.17 -0.05 -0.70 0.23 0.00 0.00 176.35 176.05 2gqs s GLU 27 N 0.37 3.46 -0.42 1.70 2.12 0.16 -1.66 118.70 124.44 2gqs s GLU 27 Ca -0.03 -0.60 -0.22 0.00 0.36 0.00 0.00 54.97 54.48 2gqs s GLU 27 Cb -0.14 -2.95 0.02 0.00 0.26 0.00 0.00 34.13 31.32 2gqs s GLU 27 CO 0.03 -0.04 0.70 -0.06 -0.54 0.00 0.00 175.26 175.35 2gqs s PHE 28 N 1.06 3.07 0.74 5.30 0.40 0.26 -0.84 117.98 127.97 2gqs s PHE 28 Ca 0.01 0.16 -0.05 0.00 -0.60 0.00 0.00 56.93 56.45 2gqs s PHE 28 Cb -0.15 -3.40 0.11 0.00 0.51 0.00 0.00 43.02 40.09 2gqs s PHE 28 CO -0.00 -0.84 1.03 1.03 0.70 0.00 0.00 175.22 177.14 2gqs s ARG 29 N 2.97 1.78 0.00 0.44 0.52 -0.50 -4.34 118.95 119.82 2gqs s ARG 29 Ca 0.26 -0.66 0.29 0.00 -0.52 0.00 0.00 55.73 55.11 2gqs s ARG 29 Cb -0.13 -2.21 1.31 0.00 0.52 0.00 0.00 34.95 34.44 2gqs s ARG 29 CO 0.19 -1.45 1.91 0.09 0.02 0.00 0.00 175.30 176.06 2gqs n ASN 30 N -2.96 0.42 -4.70 0.23 3.02 -1.26 -3.19 115.26 106.82 2gqs n ASN 30 Ca 0.12 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.64 2gqs n ASN 30 Cb 0.60 -0.09 -0.03 0.00 -0.61 0.00 0.00 39.78 39.66 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 -2.42 6.43 -0.13 6.41 -0.00 -1.26 -2.19 116.67 123.51 2gqs s ASP 31 Ca 0.31 2.77 0.02 0.00 -0.00 0.00 0.00 52.55 55.64 2gqs s ASP 31 Cb 0.20 -2.57 0.02 0.00 -0.00 0.00 0.00 42.92 40.56 2gqs s ASP 31 CO 0.46 -0.99 -0.17 -0.89 -0.00 0.00 0.00 175.17 173.58 2gqs s THR 32 N 2.33 1.67 0.21 -1.27 2.01 0.24 -4.58 115.64 116.25 2gqs s THR 32 Ca 0.79 -0.73 0.07 0.00 0.31 0.00 0.00 61.69 62.13 2gqs s THR 32 Cb -0.46 -1.52 -0.04 0.00 0.01 0.00 0.00 72.50 70.49 2gqs s THR 32 CO 0.35 0.47 0.09 -0.55 -0.69 0.00 0.00 174.62 174.29 2gqs s SER 33 N 1.08 5.11 0.09 3.53 0.15 -1.26 -0.81 113.70 121.60 2gqs s SER 33 Ca -0.03 -0.34 -0.08 0.00 0.70 0.00 0.00 55.95 56.20 2gqs s SER 33 Cb -0.14 -1.19 -0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2gqs s SER 33 CO -0.04 0.03 0.19 0.00 1.20 0.00 0.00 173.24 174.62 2gqs s ALA 34 N -1.95 -0.16 -1.49 5.45 0.00 0.16 -4.88 121.76 118.89 2gqs s ALA 34 Ca 0.30 -0.68 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 2gqs s ALA 34 Cb -0.09 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.56 2gqs s ALA 34 CO 0.22 -0.52 0.81 0.41 0.00 0.00 0.00 175.76 176.68 2gqs n GLY 35 N -0.07 -0.53 3.97 0.00 0.00 -1.26 -2.03 105.19 105.27 2gqs n GLY 35 Ca -0.14 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.28 0.00 1.61 8.00 -1.26 -2.04 116.55 115.88 2gqs n ASP 36 Ca -0.07 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.61 2gqs n ASP 36 Cb 0.60 -3.45 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 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 -1.55 1.63 0.26 0.44 0.00 -0.86 -4.76 105.19 100.36 2gqs n GLY 37 Ca 0.05 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 1.57 -3.30 4.61 0.00 -1.16 -3.40 119.26 117.57 2gqs h ALA 38 Ca 0.00 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.20 2gqs h ALA 38 Cb 0.00 -0.11 -0.37 0.00 0.00 0.00 0.00 17.79 17.31 2gqs h ALA 38 CO 0.00 0.32 -0.80 1.03 0.00 0.00 0.00 179.25 179.80 2gqs s ARG 39 N -4.96 1.59 -0.06 0.00 0.52 -0.93 -5.03 118.95 110.09 2gqs s ARG 39 Ca -0.06 -0.52 0.03 0.00 -0.52 0.00 0.00 55.73 54.66 2gqs s ARG 39 Cb 0.16 -2.00 0.01 0.00 0.52 0.00 0.00 34.95 33.64 2gqs s ARG 39 CO 0.73 -0.39 -0.14 0.42 0.02 0.00 0.00 175.30 175.94 2gqs s ILE 40 N 1.60 1.23 0.11 1.52 1.01 -1.26 -0.66 121.20 124.76 2gqs s ILE 40 Ca 0.01 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.13 2gqs s ILE 40 Cb -0.15 -1.09 -0.04 0.00 0.01 0.00 0.00 42.46 41.19 2gqs s ILE 40 CO -0.08 0.37 -0.08 -0.70 0.00 0.00 0.00 174.94 174.45 2gqs s GLU 41 N 0.39 0.90 -0.14 2.79 2.12 0.01 -4.92 118.70 119.85 2gqs s GLU 41 Ca -0.10 -1.35 -0.04 0.00 0.36 0.00 0.00 54.97 53.84 2gqs s GLU 41 Cb -0.14 -0.36 -0.03 0.00 0.26 0.00 0.00 34.13 33.85 2gqs s GLU 41 CO 0.03 0.02 0.01 -0.65 -0.54 0.00 0.00 175.26 174.14 2gqs s GLN 42 N -3.68 3.55 -0.10 4.30 -0.21 -1.26 0.80 119.66 123.07 2gqs s GLN 42 Ca 0.12 -0.41 0.02 0.00 0.02 0.00 0.00 55.36 55.11 2gqs s GLN 42 Cb 0.03 -2.99 0.01 0.00 1.00 0.00 0.00 33.01 31.07 2gqs s GLN 42 CO -0.03 0.42 -0.14 -0.06 -2.12 0.00 0.00 175.29 173.35 2gqs s PHE 43 N -0.07 1.85 0.44 0.91 0.40 -0.93 -4.99 117.98 115.58 2gqs s PHE 43 Ca 0.04 -0.82 -0.25 0.00 -0.60 0.00 0.00 56.93 55.30 2gqs s PHE 43 Cb -0.13 -1.34 -0.08 0.00 0.51 0.00 0.00 43.02 41.98 2gqs s PHE 43 CO 0.02 -0.43 1.36 -0.51 0.70 0.00 0.00 175.22 176.36 2gqs s ASP 44 N 0.92 6.02 0.00 1.36 1.01 -1.26 -2.26 116.67 122.46 2gqs s ASP 44 Ca -0.09 2.78 0.00 0.00 0.71 0.00 0.00 52.55 55.95 2gqs s ASP 44 Cb -0.15 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.13 2gqs s ASP 44 CO -0.00 -1.06 0.00 0.54 0.21 0.00 0.00 175.17 174.86 2gqs n ARG 45 N -0.13 0.00 0.09 8.23 1.74 -1.26 -4.89 116.66 120.44 2gqs n ARG 45 Ca 0.05 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 57.00 2gqs n ARG 45 Cb 0.43 -3.08 -0.08 0.00 -1.02 0.00 0.00 32.46 28.70 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 1.89 -0.20 -0.66 5.56 3.11 -1.79 -0.77 116.57 123.71 2gqs h LYS 46 Ca 0.00 0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.88 2gqs h LYS 46 Cb 0.00 0.05 -0.04 0.00 -1.00 0.00 0.00 32.23 31.24 2gqs h LYS 46 CO 0.00 0.06 0.42 0.78 -2.81 0.00 0.00 179.45 177.90 2gqs h GLY 47 N -0.45 0.95 0.93 5.01 0.00 -1.74 -1.32 103.07 106.44 2gqs h GLY 47 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 2gqs h GLY 47 CO 0.03 0.29 0.13 1.98 0.00 0.00 0.00 176.54 178.98 2gqs h MET 48 N 0.84 0.54 -0.05 4.80 1.85 -1.73 -0.76 114.93 120.42 2gqs h MET 48 Ca 0.26 -0.10 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 2gqs h MET 48 Cb -0.02 -0.09 -0.00 0.00 0.43 0.00 0.00 31.60 31.92 2gqs h MET 48 CO -0.09 0.54 0.03 0.28 -0.40 0.00 0.00 176.91 177.27 2gqs h VAL 49 N 0.43 1.01 -0.23 -5.77 2.07 -0.80 -2.33 116.25 110.64 2gqs h VAL 49 Ca 0.12 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.54 2gqs h VAL 49 Cb 0.21 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 2gqs h VAL 49 CO -0.01 0.01 -0.19 0.78 0.02 0.00 0.00 177.57 178.19 2gqs h ASN 50 N 0.06 0.39 -0.36 0.57 2.35 -1.17 0.46 115.58 117.87 2gqs h ASN 50 Ca 0.02 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 2gqs h ASN 50 Cb -0.01 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 2gqs h ASN 50 CO -0.01 0.60 0.12 -1.13 -1.65 0.00 0.00 177.43 175.36 2gqs h ASN 51 N 0.37 0.52 0.58 5.81 -1.24 -0.93 0.11 115.58 120.80 2gqs h ASN 51 Ca 0.06 -0.20 -0.15 0.00 0.71 0.00 0.00 56.30 56.72 2gqs h ASN 51 Cb 0.54 -0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 2gqs h ASN 51 CO 0.04 0.58 -0.69 0.11 -1.29 0.00 0.00 177.43 176.18 2gqs h LYS 52 N 0.44 0.10 -0.10 6.67 1.57 -1.22 -2.06 116.57 121.96 2gqs h LYS 52 Ca 0.12 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2gqs h LYS 52 Cb 0.24 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2gqs h LYS 52 CO -0.00 0.75 -0.02 0.35 -0.57 0.00 0.00 179.45 179.95 2gqs h PHE 53 N 0.06 0.22 -0.48 -1.35 3.57 -0.67 -2.37 116.94 115.93 2gqs h PHE 53 Ca -0.01 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.44 2gqs h PHE 53 Cb 1.22 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 2gqs h PHE 53 CO 0.01 0.50 0.31 -0.97 -2.23 0.00 0.00 178.31 175.93 2gqs h ASN 54 N -0.12 0.56 -0.40 0.41 -1.24 -0.75 -1.47 115.58 112.58 2gqs h ASN 54 Ca 0.03 -0.03 0.03 0.00 0.71 0.00 0.00 56.30 57.03 2gqs h ASN 54 Cb 0.43 -0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.30 2gqs h ASN 54 CO 0.01 0.43 0.20 0.22 -1.29 0.00 0.00 177.43 177.00 2gqs h TYR 55 N 0.65 0.38 0.12 0.67 3.20 -1.35 -0.16 116.97 120.47 2gqs h TYR 55 Ca 0.17 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2gqs h TYR 55 Cb -0.05 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2gqs h TYR 55 CO -0.04 0.20 -0.13 0.35 -1.64 0.00 0.00 178.16 176.90 2gqs h PHE 56 N 0.41 -0.34 -0.14 -3.82 3.57 -1.10 -0.66 116.94 114.86 2gqs h PHE 56 Ca 0.17 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 2gqs h PHE 56 Cb 0.06 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 2gqs h PHE 56 CO -0.10 -0.20 0.06 0.82 -2.23 0.00 0.00 178.31 176.67 2gqs h ILE 57 N -0.28 1.14 -0.30 1.41 5.03 -1.02 -1.98 117.51 121.51 2gqs h ILE 57 Ca 0.01 -0.40 -0.02 0.00 -0.12 0.00 0.00 64.86 64.33 2gqs h ILE 57 Cb 0.28 1.14 -0.02 0.00 -3.03 0.00 0.00 36.82 35.20 2gqs h ILE 57 CO -0.05 0.13 0.08 0.24 -0.68 0.00 0.00 178.15 177.87 2gqs h MET 58 N 0.09 0.42 -0.66 2.37 2.86 -0.99 0.92 114.93 119.94 2gqs h MET 58 Ca 0.05 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 2gqs h MET 58 Cb 0.14 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 2gqs h MET 58 CO -0.01 0.38 0.31 1.03 1.06 0.00 0.00 176.91 179.69 2gqs h SER 59 N 0.42 0.87 -0.28 1.22 0.87 -0.86 0.10 113.55 115.89 2gqs h SER 59 Ca 0.10 -0.14 -0.12 0.00 -1.23 0.00 0.00 61.79 60.40 2gqs h SER 59 Cb 0.15 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 2gqs h SER 59 CO -0.01 0.77 -0.26 0.11 -0.53 0.00 0.00 176.83 176.91 2gqs h LYS 60 N 0.92 0.78 -0.42 2.24 1.79 -0.20 -2.23 116.57 119.45 2gqs h LYS 60 Ca 0.23 -0.33 -0.13 0.00 -2.18 0.00 0.00 60.65 58.24 2gqs h LYS 60 Cb 0.13 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 2gqs h LYS 60 CO -0.03 0.95 -0.24 -0.07 -1.08 0.00 0.00 179.45 178.99 2gqs h LEU 61 N 0.67 0.93 -1.12 2.94 3.38 -0.58 -2.81 115.31 118.72 2gqs h LEU 61 Ca 0.09 -0.42 0.01 0.00 0.09 0.00 0.00 57.88 57.65 2gqs h LEU 61 Cb 0.78 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 2gqs h LEU 61 CO 0.06 1.14 0.59 0.00 0.09 0.00 0.00 178.44 180.33 2gqs h ALA 62 N 0.82 1.37 0.00 1.53 0.00 -0.66 -0.25 119.26 122.07 2gqs h ALA 62 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 2gqs h ALA 62 Cb 0.81 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2gqs h ALA 62 CO 0.07 0.57 -0.23 0.93 0.00 0.00 0.00 179.25 180.59 2gqs h GLU 63 N 1.20 0.00 -0.00 0.00 5.08 -1.27 -1.78 114.58 117.81 2gqs h GLU 63 Ca 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2gqs h GLU 63 Cb -0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.14 2gqs h GLU 63 CO -0.08 0.23 -0.05 0.00 -1.00 0.00 0.00 179.01 178.11 2gqs n ALA 64 N -2.37 2.64 0.00 3.43 0.00 -0.18 -4.89 120.51 119.14 2gqs n ALA 64 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2gqs n ALA 64 Cb 0.32 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.23 0.63 3.64 0.00 0.00 -0.67 -5.07 105.19 104.96 2gqs n GLY 65 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 4.81 0.02 -0.61 1.01 -0.75 -4.99 121.20 118.69 2gqs s ILE 66 Ca 0.00 1.58 -0.30 0.00 0.00 0.00 0.00 60.65 61.93 2gqs s ILE 66 Cb 0.00 -4.14 -0.06 0.00 0.01 0.00 0.00 42.46 38.26 2gqs s ILE 66 CO 0.00 -0.11 1.44 -2.16 0.00 0.00 0.00 174.94 174.11 2gqs s PRO 67 N 2.91 4.27 0.36 2.79 0.04 -1.26 -3.66 135.00 140.45 2gqs s PRO 67 Ca 0.36 2.03 0.08 0.00 0.04 0.00 0.00 61.00 63.50 2gqs s PRO 67 Cb -0.15 -3.55 -0.07 0.00 0.04 0.00 0.00 34.50 30.77 2gqs s PRO 67 CO 0.08 -0.59 -0.04 0.95 0.04 0.00 0.00 177.00 177.44 2gqs s THR 68 N 2.34 1.98 -0.26 1.26 -4.23 -1.26 -0.89 115.64 114.58 2gqs s THR 68 Ca 0.65 -2.10 0.26 0.00 -1.18 0.00 0.00 61.69 59.32 2gqs s THR 68 Cb -0.33 -2.76 0.35 0.00 1.34 0.00 0.00 72.50 71.11 2gqs s THR 68 CO 0.28 -0.13 1.73 0.06 -0.54 0.00 0.00 174.62 176.02 2gqs h GLN 69 N 1.98 0.00 -6.61 3.99 3.07 -1.56 -3.45 115.11 112.52 2gqs h GLN 69 Ca -0.42 0.00 -0.54 0.00 0.09 0.00 0.00 58.65 57.77 2gqs h GLN 69 Cb 1.24 0.00 0.06 0.00 0.08 0.00 0.00 27.48 28.87 2gqs h GLN 69 CO 0.74 0.01 0.92 -0.12 0.09 0.00 0.00 178.83 180.46 2gqs n MET 70 N -3.10 2.54 -0.00 0.06 1.56 -1.26 -0.86 117.12 116.06 2gqs n MET 70 Ca 0.03 0.92 -0.01 0.00 -0.27 0.00 0.00 57.70 58.37 2gqs n MET 70 Cb 0.46 -2.73 -0.00 0.00 2.15 0.00 0.00 33.22 33.10 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 3.59 0.05 -3.75 2.12 -0.58 -0.62 -4.90 120.64 116.55 2gqs n GLU 71 Ca 0.16 0.02 -0.04 0.00 -0.42 0.00 0.00 57.16 56.88 2gqs n GLU 71 Cb 0.33 -0.38 -0.01 0.00 -0.57 0.00 0.00 31.44 30.81 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 -1.33 1.20 0.08 3.49 1.70 -1.12 -5.00 118.95 117.97 2gqs s ARG 72 Ca -0.03 -0.66 -0.19 0.00 -0.47 0.00 0.00 55.73 54.38 2gqs s ARG 72 Cb 0.00 0.41 -0.07 0.00 -0.57 0.00 0.00 34.95 34.73 2gqs s ARG 72 CO 0.04 -0.55 0.57 -0.51 -1.08 0.00 0.00 175.30 173.77 2gqs s LEU 73 N -2.93 4.52 -0.09 -1.89 1.43 -1.26 0.39 118.68 118.86 2gqs s LEU 73 Ca 0.12 1.26 0.19 0.00 -1.03 0.00 0.00 54.13 54.66 2gqs s LEU 73 Cb -0.01 -2.92 -0.28 0.00 0.03 0.00 0.00 46.19 43.01 2gqs s LEU 73 CO 0.02 0.27 0.29 0.18 0.23 0.00 0.00 176.35 177.33 2gqs n LEU 74 N 1.67 0.00 0.00 1.79 4.77 -0.15 -4.86 117.00 120.22 2gqs n LEU 74 Ca -0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.88 2gqs n LEU 74 Cb 0.51 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2gqs n LEU 74 CO 0.41 0.18 0.00 -1.54 -1.33 0.00 0.00 177.39 175.12 2gqs n SER 75 N -2.39 0.00 0.12 -1.43 3.41 -1.13 -4.94 113.62 107.26 2gqs n SER 75 Ca -0.14 -0.91 0.04 0.00 -0.26 0.00 0.00 58.87 57.60 2gqs n SER 75 Cb 0.75 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 65.15 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 0.23 -0.00 4.04 3.32 -1.97 -3.27 116.42 118.77 2gqs h ASP 76 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2gqs h ASP 76 Cb 0.00 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2gqs h ASP 76 CO 0.00 0.30 -0.09 0.35 -1.72 0.00 0.00 179.24 178.08 2gqs n THR 77 N -4.37 0.00 -4.36 0.35 -2.24 -1.26 -4.26 114.28 98.15 2gqs n THR 77 Ca -0.00 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.05 2gqs n THR 77 Cb 0.19 1.03 -0.11 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.89 1.73 -0.03 -0.78 2.02 -1.24 -0.57 118.70 118.94 2gqs s GLU 78 Ca 0.03 -1.36 -0.08 0.00 0.02 0.00 0.00 54.97 53.58 2gqs s GLU 78 Cb 0.03 -2.00 0.01 0.00 0.10 0.00 0.00 34.13 32.27 2gqs s GLU 78 CO 0.10 0.43 0.18 0.00 0.02 0.00 0.00 175.26 175.99 2gqs s LEU 80 N -0.69 4.21 0.07 0.00 2.96 0.16 -0.91 118.68 124.49 2gqs s LEU 80 Ca -0.08 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.59 2gqs s LEU 80 Cb -0.05 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.89 2gqs s LEU 80 CO 0.01 -0.09 -0.05 0.68 -1.32 0.00 0.00 176.35 175.57 2gqs s VAL 81 N 1.14 0.49 0.41 1.68 -7.23 0.34 -1.60 120.40 115.63 2gqs s VAL 81 Ca 0.25 -1.81 -0.26 0.00 -1.81 0.00 0.00 61.98 58.36 2gqs s VAL 81 Cb -0.15 -1.52 -0.08 0.00 0.56 0.00 0.00 36.38 35.18 2gqs s VAL 81 CO 0.10 -0.88 1.25 -0.54 -0.31 0.00 0.00 175.10 174.72 2gqs s LYS 82 N -3.67 3.98 -0.10 4.82 1.02 -0.04 -0.09 119.74 125.66 2gqs s LYS 82 Ca 0.08 2.02 -0.30 0.00 0.02 0.00 0.00 55.97 57.79 2gqs s LYS 82 Cb 0.05 -2.71 -0.02 0.00 -0.52 0.00 0.00 37.83 34.63 2gqs s LYS 82 CO -0.06 -0.44 1.20 0.21 -0.92 0.00 0.00 175.35 175.33 2gqs s LYS 83 N -2.28 4.32 0.06 1.68 2.20 0.12 -4.67 119.74 121.16 2gqs s LYS 83 Ca 0.57 1.63 0.08 0.00 -0.36 0.00 0.00 55.97 57.90 2gqs s LYS 83 Cb -0.35 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2gqs s LYS 83 CO 0.44 -0.53 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.19 2gqs s LEU 84 N 2.64 2.51 -0.97 5.43 1.43 -1.26 -4.78 118.68 123.69 2gqs s LEU 84 Ca 0.54 -0.51 -0.19 0.00 -1.03 0.00 0.00 54.13 52.95 2gqs s LEU 84 Cb -0.23 -1.45 0.12 0.00 0.03 0.00 0.00 46.19 44.67 2gqs s LEU 84 CO 0.19 0.24 1.20 -0.62 0.23 0.00 0.00 176.35 177.58 2gqs s ASP 85 N -1.57 6.66 0.32 2.29 3.68 -0.23 -4.79 116.67 123.03 2gqs s ASP 85 Ca 0.15 -2.07 -0.29 0.00 2.13 0.00 0.00 52.55 52.46 2gqs s ASP 85 Cb -0.10 -2.42 -0.11 0.00 -1.45 0.00 0.00 42.92 38.84 2gqs s ASP 85 CO 0.05 -1.08 1.47 -0.04 0.13 0.00 0.00 175.17 175.71 2gqs s MET 86 N 2.85 4.19 -0.31 4.34 -1.94 -1.26 -0.80 119.30 126.37 2gqs s MET 86 Ca 0.35 2.45 -0.22 0.00 -1.71 0.00 0.00 55.69 56.57 2gqs s MET 86 Cb -0.04 -3.03 -0.00 0.00 2.01 0.00 0.00 34.83 33.76 2gqs s MET 86 CO -0.08 -0.48 0.69 0.08 -0.01 0.00 0.00 175.02 175.23 2gqs s VAL 87 N -0.56 4.87 0.00 -6.03 1.01 -0.15 -4.93 120.40 114.61 2gqs s VAL 87 Ca 0.56 0.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.48 2gqs s VAL 87 Cb -0.45 -4.07 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2gqs s VAL 87 CO 0.53 -0.21 1.17 -0.81 0.00 0.00 0.00 175.10 175.77 2gqs n PRO 88 N 6.04 0.58 -4.45 2.72 -0.04 -1.26 -4.55 135.00 134.04 2gqs n PRO 88 Ca 0.01 -0.09 -0.24 0.00 -0.04 0.00 0.00 63.50 63.13 2gqs n PRO 88 Cb 0.48 -1.35 -0.17 0.00 -0.04 0.00 0.00 33.50 32.43 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 1.22 1.06 -0.08 0.52 1.01 -1.26 -1.23 120.40 121.64 2gqs s VAL 89 Ca 0.06 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.42 2gqs s VAL 89 Cb 0.03 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2gqs s VAL 89 CO 0.00 0.34 0.58 -1.61 0.00 0.00 0.00 175.10 174.41 2gqs s GLU 90 N 0.82 4.36 -0.30 2.72 2.02 0.14 -4.60 118.70 123.87 2gqs s GLU 90 Ca -0.12 0.66 -0.11 0.00 0.02 0.00 0.00 54.97 55.42 2gqs s GLU 90 Cb -0.15 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 2gqs s GLU 90 CO 0.02 0.17 0.19 0.00 0.02 0.00 0.00 175.26 175.66 2gqs s VAL 92 N 1.70 2.04 -0.08 0.00 1.01 -0.23 -0.23 120.40 124.60 2gqs s VAL 92 Ca 0.06 -1.02 0.03 0.00 0.00 0.00 0.00 61.98 61.06 2gqs s VAL 92 Cb -0.17 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 2gqs s VAL 92 CO 0.09 0.56 -0.17 -0.69 0.00 0.00 0.00 175.10 174.89 2gqs s VAL 93 N 0.26 2.76 -0.15 2.92 1.01 -0.94 0.43 120.40 126.68 2gqs s VAL 93 Ca -0.16 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2gqs s VAL 93 Cb -0.17 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2gqs s VAL 93 CO 0.08 0.56 -0.21 -0.13 0.00 0.00 0.00 175.10 175.41 2gqs s ARG 94 N -0.20 2.92 -0.11 2.72 0.52 -0.49 -1.90 118.95 122.41 2gqs s ARG 94 Ca -0.01 -0.81 0.18 0.00 -0.52 0.00 0.00 55.73 54.56 2gqs s ARG 94 Cb -0.13 -2.42 -0.24 0.00 0.52 0.00 0.00 34.95 32.67 2gqs s ARG 94 CO 0.03 -0.09 0.33 0.09 0.02 0.00 0.00 175.30 175.68 2gqs n ASN 95 N 4.27 0.26 -4.04 0.23 3.02 0.11 -1.55 115.26 117.56 2gqs n ASN 95 Ca -0.20 0.12 -0.09 0.00 -0.03 0.00 0.00 54.58 54.38 2gqs n ASN 95 Cb 0.51 0.86 -0.11 0.00 -0.61 0.00 0.00 39.78 40.43 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 -2.71 0.47 0.10 3.52 0.52 -0.92 -0.07 118.95 119.86 2gqs s ARG 96 Ca -0.08 -0.89 -0.31 0.00 -0.52 0.00 0.00 55.73 53.93 2gqs s ARG 96 Cb 0.08 0.10 -0.08 0.00 0.52 0.00 0.00 34.95 35.57 2gqs s ARG 96 CO 0.84 -0.06 1.43 0.00 0.02 0.00 0.00 175.30 177.52 2gqs s ALA 97 N -2.51 3.62 0.15 2.13 0.00 0.97 -4.75 121.76 121.36 2gqs s ALA 97 Ca -0.05 1.12 -0.25 0.00 0.00 0.00 0.00 51.96 52.78 2gqs s ALA 97 Cb -0.02 -3.56 0.07 0.00 0.00 0.00 0.00 23.12 19.60 2gqs s ALA 97 CO -0.05 -0.69 1.00 0.00 0.00 0.00 0.00 175.76 176.02 2gqs s ALA 98 N 1.35 -1.69 0.00 0.00 0.00 -1.26 -0.48 121.76 119.69 2gqs s ALA 98 Ca 0.66 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2gqs s ALA 98 Cb -0.37 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.38 2gqs s ALA 98 CO 0.30 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2gqs n GLY 99 N -0.50 2.75 0.34 0.00 0.00 -1.26 -1.92 105.19 104.60 2gqs n GLY 99 Ca -0.06 -0.08 0.17 0.00 0.00 0.00 0.00 46.02 46.04 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 0.73 0.00 -0.53 1.61 4.64 -2.00 -1.02 113.55 116.99 2gqs h SER 100 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2gqs h SER 100 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 2gqs h SER 100 CO 0.00 0.00 -0.14 0.25 -0.87 0.00 0.00 176.83 176.07 2gqs h LEU 101 N 0.00 1.04 -0.06 5.97 5.85 -1.81 0.13 115.31 126.43 2gqs h LEU 101 Ca 0.11 -0.37 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2gqs h LEU 101 Cb 0.54 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.29 2gqs h LEU 101 CO -0.00 1.17 -0.01 0.58 -0.34 0.00 0.00 178.44 179.84 2gqs h VAL 102 N 0.90 1.28 -0.68 1.05 2.07 -1.20 -1.17 116.25 118.49 2gqs h VAL 102 Ca 0.13 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 2gqs h VAL 102 Cb 0.72 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 2gqs h VAL 102 CO 0.06 0.24 0.15 0.11 0.02 0.00 0.00 177.57 178.15 2gqs h LYS 103 N -0.23 1.09 -0.12 1.57 1.79 -1.42 0.19 116.57 119.44 2gqs h LYS 103 Ca 0.01 -0.26 -0.11 0.00 -2.18 0.00 0.00 60.65 58.12 2gqs h LYS 103 Cb 0.39 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 2gqs h LYS 103 CO 0.00 0.97 -0.34 -0.09 -1.08 0.00 0.00 179.45 178.92 2gqs h ARG 104 N 1.04 0.44 0.00 3.15 2.43 -0.72 -3.36 114.38 117.35 2gqs h ARG 104 Ca 0.21 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 2gqs h ARG 104 Cb 0.38 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.98 2gqs h ARG 104 CO 0.00 0.93 -1.34 1.28 -1.51 0.00 0.00 179.97 179.33 2gqs n LEU 105 N -4.37 0.40 -0.18 3.80 4.77 -0.45 -4.98 117.00 116.00 2gqs n LEU 105 Ca -0.07 -0.24 -0.02 0.00 -0.03 0.00 0.00 56.01 55.64 2gqs n LEU 105 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 2gqs n LEU 105 CO 0.43 0.10 -0.02 0.61 -1.33 0.00 0.00 177.39 177.18 2gqs n GLY 106 N 1.44 0.49 3.81 -0.72 0.00 0.66 -5.02 105.19 105.85 2gqs n GLY 106 Ca -0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.08 4.25 0.07 -0.61 1.10 -1.21 -5.00 121.20 117.73 2gqs s ILE 107 Ca 0.00 1.54 -0.31 0.00 -0.51 0.00 0.00 60.65 61.37 2gqs s ILE 107 Cb 0.00 -3.71 -0.08 0.00 0.15 0.00 0.00 42.46 38.83 2gqs s ILE 107 CO 0.00 -0.17 1.51 -0.70 -2.11 0.00 0.00 174.94 173.47 2gqs s GLU 108 N -2.83 4.25 0.34 3.50 2.56 -1.26 -4.56 118.70 120.70 2gqs s GLU 108 Ca 0.59 2.17 -0.29 0.00 0.00 0.00 0.00 54.97 57.44 2gqs s GLU 108 Cb -0.13 -3.45 -0.11 0.00 2.00 0.00 0.00 34.13 32.44 2gqs s GLU 108 CO 0.17 -0.61 1.53 -2.00 -0.56 0.00 0.00 175.26 173.80 2gqs s GLU 109 N 2.03 4.11 0.00 4.30 2.12 -1.26 -2.71 118.70 127.29 2gqs s GLU 109 Ca 0.68 2.58 0.00 0.00 0.36 0.00 0.00 54.97 58.59 2gqs s GLU 109 Cb -0.37 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2gqs s GLU 109 CO 0.30 -0.57 0.00 0.41 -0.54 0.00 0.00 175.26 174.86 2gqs n GLY 110 N 1.12 1.32 3.76 -1.50 0.00 0.37 -4.95 105.19 105.31 2gqs n GLY 110 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2gqs n GLY 110 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gqs s ILE 111 N -2.32 2.15 0.08 -0.61 -1.09 -1.10 -4.57 121.20 113.74 2gqs s ILE 111 Ca 0.00 0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.26 2gqs s ILE 111 Cb 0.00 -3.09 -0.05 0.00 -1.58 0.00 0.00 42.46 37.74 2gqs s ILE 111 CO 0.00 0.02 0.94 -1.61 -1.23 0.00 0.00 174.94 173.06 2gqs s GLU 112 N -0.88 4.64 -0.32 2.79 2.02 -1.26 -0.02 118.70 125.67 2gqs s GLU 112 Ca 0.60 1.39 -0.11 0.00 0.02 0.00 0.00 54.97 56.87 2gqs s GLU 112 Cb -0.47 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 30.36 2gqs s GLU 112 CO 0.51 0.17 0.18 -0.51 0.02 0.00 0.00 175.26 175.63 2gqs s LEU 113 N 0.20 4.28 -0.16 1.80 1.43 0.90 -4.93 118.68 122.20 2gqs s LEU 113 Ca 0.47 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 2gqs s LEU 113 Cb -0.22 -2.05 0.05 0.00 0.03 0.00 0.00 46.19 43.99 2gqs s LEU 113 CO 0.28 -0.22 -0.01 0.20 0.23 0.00 0.00 176.35 176.84 2gqs s ASN 114 N 1.65 2.60 0.99 2.29 0.01 -1.26 -2.66 114.94 118.56 2gqs s ASN 114 Ca 0.05 -0.60 -0.14 0.00 -0.71 0.00 0.00 52.86 51.46 2gqs s ASN 114 Cb -0.17 -0.70 0.18 0.00 0.41 0.00 0.00 41.25 40.97 2gqs s ASN 114 CO 0.08 -0.23 1.15 -2.16 -1.51 0.00 0.00 177.10 174.42 2gqs s PRO 115 N 1.79 0.48 0.76 -0.60 0.04 -1.26 -5.09 135.00 131.11 2gqs s PRO 115 Ca 0.01 0.17 -0.13 0.00 0.04 0.00 0.00 61.00 61.08 2gqs s PRO 115 Cb -0.15 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.67 2gqs s PRO 115 CO -0.07 -2.62 1.16 -1.25 0.04 0.00 0.00 177.00 174.26 2gqs s PRO 116 N -5.33 2.06 0.46 0.56 0.04 -1.09 -5.01 135.00 126.70 2gqs s PRO 116 Ca 0.67 1.56 -0.06 0.00 0.04 0.00 0.00 61.00 63.21 2gqs s PRO 116 Cb -0.13 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2gqs s PRO 116 CO 0.54 -1.86 0.77 -0.51 0.04 0.00 0.00 177.00 175.99 2gqs s LEU 117 N -5.50 3.68 -0.07 -3.56 1.43 -0.59 -4.89 118.68 109.18 2gqs s LEU 117 Ca 0.69 0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 54.74 2gqs s LEU 117 Cb -0.24 -3.89 0.03 0.00 0.03 0.00 0.00 46.19 42.12 2gqs s LEU 117 CO 0.49 -0.53 -0.02 0.12 0.23 0.00 0.00 176.35 176.64 2gqs s PHE 118 N -2.65 0.78 0.03 0.29 5.36 -1.26 -1.40 117.98 119.14 2gqs s PHE 118 Ca 0.48 -0.24 0.06 0.00 -0.96 0.00 0.00 56.93 56.27 2gqs s PHE 118 Cb -0.10 -0.82 -0.03 0.00 -0.34 0.00 0.00 43.02 41.73 2gqs s PHE 118 CO 0.42 -0.32 -0.17 -0.51 -1.46 0.00 0.00 175.22 173.18 2gqs s ASP 119 N 1.70 3.86 -0.10 6.13 1.01 0.17 -4.98 116.67 124.45 2gqs s ASP 119 Ca 0.01 -0.38 0.02 0.00 0.71 0.00 0.00 52.55 52.91 2gqs s ASP 119 Cb -0.13 -0.66 -0.01 0.00 1.01 0.00 0.00 42.92 43.12 2gqs s ASP 119 CO -0.04 0.27 -0.17 -0.76 0.21 0.00 0.00 175.17 174.68 2gqs s LEU 120 N -1.33 2.54 0.02 1.23 1.43 -1.26 -1.07 118.68 120.24 2gqs s LEU 120 Ca 0.14 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.92 2gqs s LEU 120 Cb -0.11 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2gqs s LEU 120 CO 0.05 0.21 -0.13 -0.36 0.23 0.00 0.00 176.35 176.34 2gqs s PHE 121 N 0.09 1.14 0.06 0.29 0.40 -0.67 -1.82 117.98 117.47 2gqs s PHE 121 Ca -0.07 -0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 55.70 2gqs s PHE 121 Cb -0.15 -0.69 -0.06 0.00 0.51 0.00 0.00 43.02 42.63 2gqs s PHE 121 CO 0.05 0.01 0.79 -1.17 0.70 0.00 0.00 175.22 175.60 2gqs s LEU 122 N -0.82 4.47 -0.65 -0.37 2.96 -0.42 0.25 118.68 124.10 2gqs s LEU 122 Ca 0.02 1.51 -0.27 0.00 -0.22 0.00 0.00 54.13 55.16 2gqs s LEU 122 Cb -0.07 -3.28 0.02 0.00 0.50 0.00 0.00 46.19 43.37 2gqs s LEU 122 CO 0.01 0.02 1.34 -0.54 -1.32 0.00 0.00 176.35 175.86 2gqs s LYS 123 N -0.15 3.25 -0.36 1.98 1.02 -0.37 -3.74 119.74 121.39 2gqs s LYS 123 Ca 0.39 0.13 0.06 0.00 0.02 0.00 0.00 55.97 56.57 2gqs s LYS 123 Cb -0.21 -4.14 0.18 0.00 -0.52 0.00 0.00 37.83 33.14 2gqs s LYS 123 CO 0.24 -2.03 0.55 1.21 -0.92 0.00 0.00 175.35 174.40 2gqs s ASN 124 N 4.08 -0.93 0.19 2.83 3.84 -1.26 -4.99 114.94 118.71 2gqs s ASN 124 Ca 0.44 -0.58 -0.12 0.00 0.21 0.00 0.00 52.86 52.82 2gqs s ASN 124 Cb -0.09 1.67 0.19 0.00 -0.55 0.00 0.00 41.25 42.47 2gqs s ASN 124 CO 0.21 -0.24 1.78 0.44 -2.79 0.00 0.00 177.10 176.49 2gqs h ASP 125 N 7.44 0.38 -0.97 -4.21 3.32 -1.89 0.02 116.42 120.50 2gqs h ASP 125 Ca 0.02 0.04 0.20 0.00 0.02 0.00 0.00 57.03 57.30 2gqs h ASP 125 Cb 1.16 -0.03 -0.11 0.00 0.22 0.00 0.00 39.33 40.57 2gqs h ASP 125 CO 0.15 0.25 0.57 0.00 -1.72 0.00 0.00 179.24 178.49 2gqs h ALA 126 N 1.32 1.62 -0.65 3.45 0.00 -1.96 0.70 119.26 123.73 2gqs h ALA 126 Ca 0.26 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2gqs h ALA 126 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2gqs h ALA 126 CO -0.19 -0.12 0.00 -1.33 0.00 0.00 0.00 179.25 177.61 2gqs n MET 127 N -4.83 3.52 -3.65 0.00 2.81 -0.71 -4.97 117.12 109.30 2gqs n MET 127 Ca 0.23 -2.77 -0.23 0.00 -1.81 0.00 0.00 57.70 53.12 2gqs n MET 127 Cb 0.59 -1.84 0.06 0.00 -0.71 0.00 0.00 33.22 31.33 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 1.20 -2.42 -3.61 2.03 -0.00 0.24 -3.53 115.22 109.13 2gqs n HIS 128 Ca 0.25 0.94 -0.22 0.00 -0.00 0.00 0.00 57.72 58.70 2gqs n HIS 128 Cb 0.83 -4.71 0.01 0.00 -0.00 0.00 0.00 29.99 26.13 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 -3.01 -5.63 -4.78 0.41 8.00 -0.14 -4.87 116.55 106.54 2gqs n ASP 129 Ca -0.11 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.19 2gqs n ASP 129 Cb 0.60 -2.94 -0.01 0.00 -0.02 0.00 0.00 41.12 38.76 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 -4.90 4.15 0.33 -0.24 0.04 -1.23 -4.49 135.00 128.66 2gqs s PRO 130 Ca 0.15 2.51 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2gqs s PRO 130 Cb -0.06 -2.99 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 2gqs s PRO 130 CO 0.86 -0.48 1.31 1.41 0.04 0.00 0.00 177.00 180.14 2gqs s MET 131 N -1.95 4.34 0.05 4.56 1.75 -1.26 -1.30 119.30 125.50 2gqs s MET 131 Ca 0.53 2.22 0.01 0.00 -1.25 0.00 0.00 55.69 57.19 2gqs s MET 131 Cb -0.45 -3.06 -0.00 0.00 2.84 0.00 0.00 34.83 34.15 2gqs s MET 131 CO 0.60 -0.20 0.03 1.33 -0.65 0.00 0.00 175.02 176.13 2gqs n VAL 132 N 0.77 0.00 -3.92 10.11 0.24 -0.76 -4.86 118.33 119.92 2gqs n VAL 132 Ca 0.00 -0.33 -0.11 0.00 -2.04 0.00 0.00 64.34 61.86 2gqs n VAL 132 Cb 0.42 0.14 -0.02 0.00 -1.47 0.00 0.00 33.84 32.90 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 -2.31 -1.06 -0.33 -1.34 0.23 -1.26 -4.39 115.26 104.79 2gqs n ASN 133 Ca -0.00 -2.41 0.08 0.00 -0.53 0.00 0.00 54.58 51.71 2gqs n ASN 133 Cb 0.08 1.97 0.28 0.00 -2.08 0.00 0.00 39.78 40.03 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 0.90 -0.02 -3.83 5.08 -2.01 -1.34 114.58 113.36 2gqs h GLU 134 Ca -0.21 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.06 2gqs h GLU 134 Cb 0.90 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2gqs h GLU 134 CO 0.28 0.59 -0.16 0.66 -1.00 0.00 0.00 179.01 179.38 2gqs h SER 135 N 0.93 0.02 -0.63 1.42 4.64 -2.00 -2.26 113.55 115.67 2gqs h SER 135 Ca 0.46 -0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.70 2gqs h SER 135 Cb 0.49 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2gqs h SER 135 CO -0.22 0.19 0.08 1.88 -0.87 0.00 0.00 176.83 177.89 2gqs h TYR 136 N 0.03 1.13 -0.36 4.77 0.99 -1.65 -1.13 116.97 120.74 2gqs h TYR 136 Ca 0.00 -0.17 -0.05 0.00 2.00 0.00 0.00 58.73 60.51 2gqs h TYR 136 Cb 0.30 -0.31 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 2gqs h TYR 136 CO 0.00 0.97 -0.00 0.00 -0.00 0.00 0.00 178.16 179.12 2gqs h GLU 138 N 0.55 0.08 -0.88 0.00 4.57 -1.42 -1.09 114.58 116.39 2gqs h GLU 138 Ca 0.12 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 2gqs h GLU 138 Cb 0.36 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.94 2gqs h GLU 138 CO 0.01 0.92 0.52 1.15 -1.18 0.00 0.00 179.01 180.44 2gqs h THR 139 N -0.72 1.24 -0.44 0.32 2.02 -1.13 -2.86 112.91 111.35 2gqs h THR 139 Ca -0.02 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2gqs h THR 139 Cb 0.98 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 2gqs h THR 139 CO 0.03 0.26 0.00 0.49 0.37 0.00 0.00 175.52 176.67 2gqs n PHE 140 N -4.36 0.56 -2.86 3.16 3.01 -0.32 -4.98 117.46 111.67 2gqs n PHE 140 Ca 0.10 -0.28 -0.22 0.00 1.01 0.00 0.00 57.45 58.05 2gqs n PHE 140 Cb 0.07 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.56 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 1.53 -0.52 0.13 1.37 0.00 -0.81 -4.90 105.19 101.99 2gqs n GLY 141 Ca 0.20 0.10 -0.05 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.04 0.12 -1.31 1.61 6.55 -1.49 -3.47 115.95 116.93 2gqs h TRP 142 Ca -0.53 -0.06 0.14 0.00 0.95 0.00 0.00 58.89 59.40 2gqs h TRP 142 Cb 1.37 -0.02 -0.29 0.00 -0.86 0.00 0.00 29.16 29.36 2gqs h TRP 142 CO 0.54 0.79 0.71 0.54 -1.05 0.00 0.00 178.44 179.96 2gqs s VAL 143 N -3.41 0.00 1.00 1.49 0.11 -1.21 -4.69 120.40 113.69 2gqs s VAL 143 Ca -0.02 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.91 2gqs s VAL 143 Cb 0.12 -1.00 0.19 0.00 -1.53 0.00 0.00 36.38 34.16 2gqs s VAL 143 CO 0.79 0.00 1.08 -0.94 -3.33 0.00 0.00 175.10 172.70 2gqs s SER 144 N -0.19 2.45 0.18 3.54 1.04 -1.26 -4.30 113.70 115.16 2gqs s SER 144 Ca 0.05 1.52 -0.10 0.00 0.48 0.00 0.00 55.95 57.90 2gqs s SER 144 Cb -0.04 -2.19 0.10 0.00 0.10 0.00 0.00 66.02 63.98 2gqs s SER 144 CO -0.09 -3.28 1.72 0.11 0.98 0.00 0.00 173.24 172.68 2gqs h LYS 145 N -1.99 1.01 -0.26 4.02 1.57 -1.97 -1.25 116.57 117.69 2gqs h LYS 145 Ca -0.53 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.00 2gqs h LYS 145 Cb 1.31 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 2gqs h LYS 145 CO 0.52 0.87 0.02 1.49 -0.57 0.00 0.00 179.45 181.79 2gqs h GLU 146 N 0.94 0.44 -0.15 3.15 4.81 -1.99 -0.93 114.58 120.85 2gqs h GLU 146 Ca 0.21 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 2gqs h GLU 146 Cb 0.27 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2gqs h GLU 146 CO -0.01 0.59 -0.37 -0.91 -0.73 0.00 0.00 179.01 177.58 2gqs h ASN 147 N 0.23 0.32 -0.38 1.04 -0.26 -1.91 -1.66 115.58 112.96 2gqs h ASN 147 Ca 0.08 -0.13 -0.14 0.00 -0.56 0.00 0.00 56.30 55.55 2gqs h ASN 147 Cb 0.38 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.54 2gqs h ASN 147 CO 0.01 0.67 -0.32 0.25 -1.06 0.00 0.00 177.43 176.98 2gqs h LEU 148 N 0.27 0.94 -1.11 1.61 5.85 -1.12 -0.02 115.31 121.73 2gqs h LEU 148 Ca 0.03 -0.45 -0.05 0.00 0.84 0.00 0.00 57.88 58.26 2gqs h LEU 148 Cb 0.77 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2gqs h LEU 148 CO 0.06 1.19 0.12 0.00 -0.34 0.00 0.00 178.44 179.47 2gqs h ALA 149 N 0.78 1.29 -0.27 1.25 0.00 -0.92 -0.74 119.26 120.64 2gqs h ALA 149 Ca 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2gqs h ALA 149 Cb 0.90 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2gqs h ALA 149 CO 0.08 0.50 -0.14 -0.09 0.00 0.00 0.00 179.25 179.61 2gqs h ARG 150 N 0.72 0.58 -0.83 0.00 9.65 -1.01 -1.49 114.38 121.99 2gqs h ARG 150 Ca 0.16 -0.25 0.07 0.00 -1.10 0.00 0.00 59.98 58.86 2gqs h ARG 150 Cb 0.27 -0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.77 2gqs h ARG 150 CO -0.00 0.82 0.51 0.52 2.80 0.00 0.00 179.97 184.61 2gqs h MET 151 N 0.32 0.88 -0.36 0.20 2.86 -0.44 0.38 114.93 118.77 2gqs h MET 151 Ca 0.06 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.48 2gqs h MET 151 Cb 0.65 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.11 2gqs h MET 151 CO 0.04 0.58 -0.43 0.87 1.06 0.00 0.00 176.91 179.03 2gqs h LYS 152 N 0.91 0.93 -0.36 1.72 1.57 -1.03 -0.88 116.57 119.43 2gqs h LYS 152 Ca 0.37 -0.52 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2gqs h LYS 152 Cb 0.21 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 2gqs h LYS 152 CO -0.19 1.17 0.19 1.49 -0.57 0.00 0.00 179.45 181.54 2gqs h GLU 153 N 0.75 0.51 -0.27 3.15 4.81 -0.73 -1.59 114.58 121.20 2gqs h GLU 153 Ca 0.05 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.11 2gqs h GLU 153 Cb 1.03 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2gqs h GLU 153 CO 0.10 0.44 -0.25 -0.07 -0.73 0.00 0.00 179.01 178.51 2gqs h LEU 154 N 0.45 0.53 -0.48 1.64 3.38 -0.90 -1.38 115.31 118.55 2gqs h LEU 154 Ca 0.13 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2gqs h LEU 154 Cb 0.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2gqs h LEU 154 CO -0.02 0.77 -0.02 0.74 0.09 0.00 0.00 178.44 180.00 2gqs h THR 155 N 0.46 1.27 -0.34 0.22 2.02 -0.88 -0.92 112.91 114.73 2gqs h THR 155 Ca 0.07 -1.11 -0.12 0.00 0.77 0.00 0.00 66.41 66.02 2gqs h THR 155 Cb 0.68 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2gqs h THR 155 CO 0.05 0.38 -0.29 1.88 0.37 0.00 0.00 175.52 177.91 2gqs h TYR 156 N 0.72 0.84 -0.37 3.16 0.99 -1.16 -1.63 116.97 119.52 2gqs h TYR 156 Ca 0.13 -0.21 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 2gqs h TYR 156 Cb 0.54 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 38.07 2gqs h TYR 156 CO 0.04 0.93 0.13 -0.22 -0.00 0.00 0.00 178.16 179.04 2gqs h LYS 157 N 0.62 0.58 -0.85 4.88 3.64 -1.08 -1.67 116.57 122.68 2gqs h LYS 157 Ca 0.07 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.43 2gqs h LYS 157 Cb 0.81 -0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 2gqs h LYS 157 CO 0.07 0.58 0.50 0.00 -2.27 0.00 0.00 179.45 178.33 2gqs h ALA 158 N 0.97 1.22 -0.17 5.00 0.00 -0.95 -1.34 119.26 123.98 2gqs h ALA 158 Ca 0.12 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2gqs h ALA 158 Cb 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2gqs h ALA 158 CO -0.01 0.14 0.04 -0.97 0.00 0.00 0.00 179.25 178.46 2gqs h ASN 159 N 0.85 0.03 -0.39 0.00 -1.24 -0.66 0.22 115.58 114.39 2gqs h ASN 159 Ca 0.41 0.02 0.03 0.00 0.71 0.00 0.00 56.30 57.47 2gqs h ASN 159 Cb 0.35 0.03 -0.03 0.00 0.73 0.00 0.00 38.32 39.39 2gqs h ASN 159 CO -0.24 0.04 0.19 0.44 -1.29 0.00 0.00 177.43 176.58 2gqs h ASP 160 N 0.12 0.28 -0.15 1.15 3.32 -0.38 0.19 116.42 120.96 2gqs h ASP 160 Ca 0.08 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 2gqs h ASP 160 Cb 0.06 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2gqs h ASP 160 CO -0.09 0.21 0.02 0.58 -1.72 0.00 0.00 179.24 178.23 2gqs h VAL 161 N 0.40 1.23 -0.08 -1.35 2.07 -1.07 -3.18 116.25 114.25 2gqs h VAL 161 Ca 0.16 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 2gqs h VAL 161 Cb 0.07 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2gqs h VAL 161 CO -0.11 0.22 -0.57 -0.07 0.02 0.00 0.00 177.57 177.05 2gqs h LEU 162 N 0.02 0.29 -0.51 2.57 3.38 -0.84 -2.29 115.31 117.94 2gqs h LEU 162 Ca 0.04 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2gqs h LEU 162 Cb 0.32 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2gqs h LEU 162 CO 0.00 0.80 0.28 0.11 0.09 0.00 0.00 178.44 179.73 2gqs h LYS 163 N 0.20 0.54 0.13 1.13 1.57 -0.99 0.18 116.57 119.34 2gqs h LYS 163 Ca -0.00 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2gqs h LYS 163 Cb 1.06 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.25 2gqs h LYS 163 CO 0.09 0.36 -0.06 0.87 -0.57 0.00 0.00 179.45 180.13 2gqs h LYS 164 N 0.55 -0.17 -0.63 3.15 1.57 -1.52 -0.66 116.57 118.86 2gqs h LYS 164 Ca 0.22 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 2gqs h LYS 164 Cb 0.08 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 32.34 2gqs h LYS 164 CO -0.13 -0.03 0.19 1.25 -0.57 0.00 0.00 179.45 180.16 2gqs h LEU 165 N -0.28 0.11 -0.33 2.94 5.85 -0.92 0.21 115.31 122.89 2gqs h LEU 165 Ca -0.02 0.10 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 2gqs h LEU 165 Cb 0.22 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2gqs h LEU 165 CO 0.03 0.06 -0.81 -0.26 -0.34 0.00 0.00 178.44 177.12 2gqs h PHE 166 N 0.33 0.50 -0.75 1.25 -1.00 -0.89 -2.89 116.94 113.48 2gqs h PHE 166 Ca 0.33 -0.24 -0.04 0.00 2.81 0.00 0.00 57.97 60.83 2gqs h PHE 166 Cb 0.48 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 2gqs h PHE 166 CO -0.21 1.02 0.32 0.22 -1.61 0.00 0.00 178.31 178.04 2gqs h ASP 167 N 0.23 1.02 0.17 2.17 3.58 -0.46 0.65 116.42 123.78 2gqs h ASP 167 Ca -0.04 -0.14 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2gqs h ASP 167 Cb 1.40 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 2gqs h ASP 167 CO 0.13 0.89 -0.06 0.44 -2.88 0.00 0.00 179.24 177.77 2gqs h ASP 168 N 1.09 0.00 -0.66 2.28 3.32 -0.84 -0.61 116.42 121.00 2gqs h ASP 168 Ca 0.25 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.17 2gqs h ASP 168 Cb 0.18 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 2gqs h ASP 168 CO -0.02 0.06 0.17 0.00 -1.72 0.00 0.00 179.24 177.72 2gqs n ALA 169 N -2.31 4.28 -2.44 3.45 0.00 -0.10 -4.91 120.51 118.49 2gqs n ALA 169 Ca -0.02 -2.24 -0.19 0.00 0.00 0.00 0.00 53.44 50.98 2gqs n ALA 169 Cb 0.16 -1.17 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.03 -0.42 3.29 0.00 0.00 -0.24 -4.93 105.19 102.92 2gqs n GLY 170 Ca 0.36 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 46.08 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 -5.60 2.30 -0.24 0.99 1.43 0.21 -1.11 118.68 116.66 2gqs s LEU 171 Ca 0.03 -0.69 -0.07 0.00 -1.03 0.00 0.00 54.13 52.37 2gqs s LEU 171 Cb -0.01 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.28 2gqs s LEU 171 CO 0.04 0.06 0.07 -0.63 0.23 0.00 0.00 176.35 176.12 2gqs s ILE 172 N -1.18 4.33 -0.73 -0.59 1.01 0.17 -2.38 121.20 121.83 2gqs s ILE 172 Ca 0.07 -0.17 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 2gqs s ILE 172 Cb -0.10 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.40 2gqs s ILE 172 CO 0.04 0.35 1.17 -0.22 0.00 0.00 0.00 174.94 176.29 2gqs s LEU 173 N 1.50 3.65 -0.03 2.97 2.96 -1.26 -1.33 118.68 127.15 2gqs s LEU 173 Ca 0.06 -0.72 -0.24 0.00 -0.22 0.00 0.00 54.13 53.01 2gqs s LEU 173 Cb -0.15 -2.51 -0.18 0.00 0.50 0.00 0.00 46.19 43.86 2gqs s LEU 173 CO 0.03 -1.67 1.11 0.58 -1.32 0.00 0.00 176.35 175.09 2gqs h VAL 174 N 6.04 1.02 -2.59 1.68 2.07 -1.50 -3.42 116.25 119.55 2gqs h VAL 174 Ca -0.25 -1.01 0.13 0.00 0.82 0.00 0.00 66.70 66.39 2gqs h VAL 174 Cb 1.05 1.62 -0.07 0.00 -1.52 0.00 0.00 31.29 32.37 2gqs h VAL 174 CO 1.25 0.23 0.39 1.51 0.02 0.00 0.00 177.57 180.96 2gqs s ASP 175 N -5.46 -0.22 0.10 0.57 1.47 -1.24 0.07 116.67 111.95 2gqs s ASP 175 Ca -0.14 -0.46 -0.26 0.00 1.18 0.00 0.00 52.55 52.87 2gqs s ASP 175 Cb 0.01 0.58 0.08 0.00 -0.34 0.00 0.00 42.92 43.25 2gqs s ASP 175 CO 0.57 -1.06 0.88 0.72 0.68 0.00 0.00 175.17 176.97 2gqs s PHE 176 N -3.52 -0.26 -0.03 2.11 -0.12 -0.80 -1.26 117.98 114.11 2gqs s PHE 176 Ca 0.11 0.02 0.06 0.00 -0.05 0.00 0.00 56.93 57.07 2gqs s PHE 176 Cb -0.03 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.94 2gqs s PHE 176 CO 0.03 -0.74 -0.20 0.21 -0.05 0.00 0.00 175.22 174.48 2gqs s LYS 177 N -3.30 1.74 0.14 1.99 2.36 0.09 -2.22 119.74 120.53 2gqs s LYS 177 Ca 0.08 -0.70 0.07 0.00 -2.55 0.00 0.00 55.97 52.87 2gqs s LYS 177 Cb -0.01 -1.61 -0.04 0.00 -1.05 0.00 0.00 37.83 35.11 2gqs s LYS 177 CO -0.03 0.38 -0.15 -0.51 1.55 0.00 0.00 175.35 176.58 2gqs s LEU 178 N -0.31 2.42 -0.02 5.43 1.43 0.67 -4.87 118.68 123.43 2gqs s LEU 178 Ca 0.04 -0.83 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2gqs s LEU 178 Cb -0.09 -0.64 0.01 0.00 0.03 0.00 0.00 46.19 45.49 2gqs s LEU 178 CO 0.00 -0.11 -0.06 -1.61 0.23 0.00 0.00 176.35 174.81 2gqs s GLU 179 N -2.72 0.67 0.26 1.70 2.02 -1.26 -0.52 118.70 118.84 2gqs s GLU 179 Ca 0.11 -0.18 0.12 0.00 0.02 0.00 0.00 54.97 55.04 2gqs s GLU 179 Cb -0.05 -0.66 -0.05 0.00 0.10 0.00 0.00 34.13 33.47 2gqs s GLU 179 CO 0.04 0.05 -0.19 -0.06 0.02 0.00 0.00 175.26 175.12 2gqs s PHE 180 N 0.31 2.34 0.18 1.61 0.40 -1.26 -1.50 117.98 120.05 2gqs s PHE 180 Ca -0.04 -0.32 -0.03 0.00 -0.60 0.00 0.00 56.93 55.94 2gqs s PHE 180 Cb -0.08 -1.05 -0.03 0.00 0.51 0.00 0.00 43.02 42.37 2gqs s PHE 180 CO -0.00 0.66 0.16 0.20 0.70 0.00 0.00 175.22 176.95 2gqs s GLY 181 N -3.34 1.07 -0.15 4.36 0.00 -0.14 -0.98 107.32 108.14 2gqs s GLY 181 Ca 0.28 -1.43 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 2gqs s GLY 181 CO 0.14 -1.23 0.08 1.08 0.00 0.00 0.00 173.10 173.17 2gqs s LEU 182 N -3.08 3.96 -0.26 0.66 1.43 0.02 -0.31 118.68 121.10 2gqs s LEU 182 Ca 0.30 0.20 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2gqs s LEU 182 Cb 0.06 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.36 2gqs s LEU 182 CO 0.07 0.26 -0.08 -0.47 0.23 0.00 0.00 176.35 176.36 2gqs s TYR 183 N -0.17 3.06 -1.47 0.29 5.04 0.29 -1.06 117.35 123.34 2gqs s TYR 183 Ca 0.08 -2.22 -0.11 0.00 -2.44 0.00 0.00 57.07 52.38 2gqs s TYR 183 Cb -0.12 -1.90 0.07 0.00 0.35 0.00 0.00 41.96 40.36 2gqs s TYR 183 CO 0.01 -0.86 0.78 1.63 -1.34 0.00 0.00 175.55 175.77 2gqs n LYS 184 N 4.48 -4.80 0.00 4.97 5.02 -1.26 -1.73 118.16 124.84 2gqs n LYS 184 Ca -0.12 0.61 0.00 0.00 -2.02 0.00 0.00 58.31 56.78 2gqs n LYS 184 Cb 0.43 -5.45 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 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 -1.51 1.62 3.85 0.72 0.00 -1.26 -5.06 105.19 103.55 2gqs n GLY 185 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.57 3.16 -0.19 1.61 -1.05 -0.71 -5.01 118.70 115.94 2gqs s GLU 186 Ca 0.00 -0.55 -0.29 0.00 -0.15 0.00 0.00 54.97 53.98 2gqs s GLU 186 Cb 0.00 -2.89 -0.01 0.00 -0.44 0.00 0.00 34.13 30.79 2gqs s GLU 186 CO 0.00 0.59 1.24 0.08 0.95 0.00 0.00 175.26 178.13 2gqs s VAL 187 N -1.43 4.30 -0.00 1.83 1.01 -1.26 -0.54 120.40 124.31 2gqs s VAL 187 Ca 0.31 1.56 0.05 0.00 0.00 0.00 0.00 61.98 63.91 2gqs s VAL 187 Cb -0.13 -4.05 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 2gqs s VAL 187 CO 0.24 -0.19 -0.17 -0.69 0.00 0.00 0.00 175.10 174.29 2gqs s VAL 188 N 3.59 1.35 -0.07 2.92 1.01 0.58 -4.83 120.40 124.95 2gqs s VAL 188 Ca 0.54 -0.80 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2gqs s VAL 188 Cb -0.20 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2gqs s VAL 188 CO 0.15 0.32 1.35 -0.22 0.00 0.00 0.00 175.10 176.70 2gqs s LEU 189 N -0.56 4.27 0.00 3.92 2.96 -0.07 -0.96 118.68 128.24 2gqs s LEU 189 Ca 0.06 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.92 2gqs s LEU 189 Cb -0.07 -3.55 0.00 0.00 0.50 0.00 0.00 46.19 43.07 2gqs s LEU 189 CO -0.00 -0.73 0.00 0.61 -1.32 0.00 0.00 176.35 174.91 2gqs n GLY 190 N 3.64 6.57 7.00 7.98 0.00 -0.56 -1.36 105.19 128.46 2gqs n GLY 190 Ca 0.13 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.78 1.61 2.03 -1.26 -4.55 116.55 110.60 2gqs n ASP 191 Ca 0.00 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.23 2gqs n ASP 191 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 1.64 -0.10 -0.67 -1.05 -1.26 -5.10 118.70 112.17 2gqs s GLU 192 Ca 0.00 -0.90 -0.02 0.00 -0.15 0.00 0.00 54.97 53.90 2gqs s GLU 192 Cb 0.00 0.59 0.04 0.00 -0.44 0.00 0.00 34.13 34.32 2gqs s GLU 192 CO 0.00 -0.74 0.03 0.12 0.95 0.00 0.00 175.26 175.62 2gqs s PHE 193 N -3.89 0.52 0.37 4.83 2.19 -1.26 -4.80 117.98 115.94 2gqs s PHE 193 Ca 0.10 -0.20 -0.12 0.00 0.33 0.00 0.00 56.93 57.04 2gqs s PHE 193 Cb -0.04 -0.75 0.05 0.00 -1.31 0.00 0.00 43.02 40.97 2gqs s PHE 193 CO 0.03 -0.37 0.71 -1.13 1.83 0.00 0.00 175.22 176.28 2gqs n SER 194 N 5.19 -2.05 0.05 6.13 3.41 -1.26 -3.71 113.62 121.38 2gqs n SER 194 Ca -0.06 -2.60 0.06 0.00 -0.26 0.00 0.00 58.87 56.01 2gqs n SER 194 Cb 0.49 3.47 0.29 0.00 -0.26 0.00 0.00 64.21 68.20 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 -0.53 0.06 0.05 4.33 -0.02 -1.26 -1.41 135.00 136.22 2gqs n PRO 195 Ca -0.07 0.44 -0.09 0.00 -2.02 0.00 0.00 63.50 61.76 2gqs n PRO 195 Cb 0.57 -1.65 0.05 0.00 -0.02 0.00 0.00 33.50 32.45 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 0.47 -0.32 2.55 5.19 -1.95 -1.98 116.42 120.38 2gqs h ASP 196 Ca 0.00 -0.29 -0.15 0.00 -0.62 0.00 0.00 57.03 55.97 2gqs h ASP 196 Cb 0.14 -0.14 -0.09 0.00 0.18 0.00 0.00 39.33 39.43 2gqs h ASP 196 CO 0.00 1.01 -0.09 0.61 -3.12 0.00 0.00 179.24 177.65 2gqs n GLY 197 N 0.45 4.82 3.48 2.75 0.00 -0.50 -4.78 105.19 111.40 2gqs n GLY 197 Ca -0.04 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.51 -0.35 -0.15 1.61 1.04 -1.12 -0.73 113.70 111.49 2gqs s SER 198 Ca 0.44 -0.31 -0.00 0.00 0.48 0.00 0.00 55.95 56.56 2gqs s SER 198 Cb 0.39 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 67.08 2gqs s SER 198 CO 0.01 -1.01 -0.14 -0.13 0.98 0.00 0.00 173.24 172.95 2gqs s ARG 199 N -3.82 3.30 -0.10 4.02 0.52 -0.39 -4.47 118.95 118.02 2gqs s ARG 199 Ca 0.06 -0.71 0.01 0.00 -0.52 0.00 0.00 55.73 54.56 2gqs s ARG 199 Cb -0.01 -2.65 0.02 0.00 0.52 0.00 0.00 34.95 32.83 2gqs s ARG 199 CO -0.07 0.10 -0.10 -0.51 0.02 0.00 0.00 175.30 174.73 2gqs s LEU 200 N 0.64 1.42 -0.05 2.53 1.43 -1.26 -1.12 118.68 122.26 2gqs s LEU 200 Ca -0.07 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.73 2gqs s LEU 200 Cb -0.16 -0.89 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 2gqs s LEU 200 CO 0.03 -0.06 -0.15 0.26 0.23 0.00 0.00 176.35 176.66 2gqs s TRP 201 N 1.31 2.68 0.23 0.29 0.51 -0.44 -1.43 118.94 122.08 2gqs s TRP 201 Ca -0.02 -0.22 -0.31 0.00 -2.12 0.00 0.00 56.10 53.43 2gqs s TRP 201 Cb -0.14 -1.64 -0.11 0.00 -0.81 0.00 0.00 33.47 30.77 2gqs s TRP 201 CO -0.04 0.13 1.59 0.34 -0.51 0.00 0.00 176.95 178.46 2gqs s ASP 202 N -0.62 6.49 0.25 2.95 -1.08 -0.34 0.46 116.67 124.78 2gqs s ASP 202 Ca 0.09 2.78 -0.04 0.00 -0.52 0.00 0.00 52.55 54.87 2gqs s ASP 202 Cb -0.11 -2.61 0.37 0.00 -1.46 0.00 0.00 42.92 39.11 2gqs s ASP 202 CO 0.01 -0.86 1.86 0.50 0.52 0.00 0.00 175.17 177.20 2gqs h LYS 203 N 5.90 1.03 0.01 4.34 3.64 -1.42 0.34 116.57 130.40 2gqs h LYS 203 Ca -0.45 -0.06 -0.30 0.00 -1.27 0.00 0.00 60.65 58.57 2gqs h LYS 203 Cb 1.21 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 32.75 2gqs h LYS 203 CO 0.86 0.68 -1.74 0.39 -2.27 0.00 0.00 179.45 177.37 2gqs n GLU 204 N -4.57 0.64 -0.01 1.90 1.02 -1.26 -4.50 120.64 113.86 2gqs n GLU 204 Ca 0.14 0.29 0.07 0.00 -0.02 0.00 0.00 57.16 57.64 2gqs n GLU 204 Cb 0.19 -1.78 -0.11 0.00 -0.02 0.00 0.00 31.44 29.72 2gqs n GLU 204 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2gqs n THR 205 N -3.08 0.02 -1.01 2.62 -2.24 -1.22 -4.99 114.28 104.37 2gqs n THR 205 Ca -0.18 -0.31 -0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2gqs n THR 205 Cb 1.05 0.17 -0.00 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.98 0.27 -4.76 3.22 4.77 0.12 -4.95 117.00 113.69 2gqs n LEU 206 Ca -0.03 0.01 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 2gqs n LEU 206 Cb 0.36 -1.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.27 2gqs n LEU 206 CO 0.28 -0.33 1.20 -0.70 -1.33 0.00 0.00 177.39 176.51 2gqs s GLU 207 N -0.78 4.14 0.08 3.23 2.12 -1.26 -4.48 118.70 121.76 2gqs s GLU 207 Ca 0.00 2.53 -0.30 0.00 0.36 0.00 0.00 54.97 57.56 2gqs s GLU 207 Cb 0.00 -3.02 -0.05 0.00 0.26 0.00 0.00 34.13 31.31 2gqs s GLU 207 CO 0.00 -0.58 1.03 0.15 -0.54 0.00 0.00 175.26 175.33 2gqs s LYS 208 N -0.82 4.59 -0.44 4.30 1.02 -1.26 -1.19 119.74 125.94 2gqs s LYS 208 Ca 0.60 1.55 0.10 0.00 0.02 0.00 0.00 55.97 58.24 2gqs s LYS 208 Cb -0.47 -3.38 0.35 0.00 -0.52 0.00 0.00 37.83 33.82 2gqs s LYS 208 CO 0.50 0.03 0.82 -1.33 -0.92 0.00 0.00 175.35 174.45 2gqs n MET 209 N 3.23 1.77 -1.89 1.68 2.81 -0.52 -4.86 117.12 119.34 2gqs n MET 209 Ca 0.05 -3.88 -0.03 0.00 -1.81 0.00 0.00 57.70 52.03 2gqs n MET 209 Cb 0.49 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 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 0.08 -0.48 0.21 7.83 5.68 -1.26 -4.59 116.55 124.03 2gqs n ASP 210 Ca 0.27 -1.43 0.13 0.00 -0.50 0.00 0.00 54.79 53.26 2gqs n ASP 210 Cb 0.58 0.82 0.70 0.00 -1.14 0.00 0.00 41.12 42.08 2gqs n ASP 210 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 2gqs h LYS 211 N 0.00 0.00 -0.18 0.11 3.64 -1.57 -0.98 116.57 117.59 2gqs h LYS 211 Ca -0.08 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.35 2gqs h LYS 211 Cb 0.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2gqs h LYS 211 CO 0.10 0.00 0.15 -0.44 -2.27 0.00 0.00 179.45 176.99 2gqs h ASP 212 N 0.00 0.00 0.12 4.20 3.32 -1.89 0.32 116.42 122.49 2gqs h ASP 212 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2gqs h ASP 212 Cb 0.15 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2gqs h ASP 212 CO 0.00 0.00 -0.03 0.03 -1.72 0.00 0.00 179.24 177.52 2gqs h ARG 213 N 0.00 0.00 0.08 3.56 3.08 -1.51 0.38 114.38 119.97 2gqs h ARG 213 Ca 0.09 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.77 2gqs h ARG 213 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2gqs h ARG 213 CO -0.00 0.03 -2.10 0.34 -1.07 0.00 0.00 179.97 177.17 2gqs n PHE 214 N -3.65 0.85 -0.19 3.04 7.35 0.98 -0.61 117.46 125.22 2gqs n PHE 214 Ca -0.03 0.19 -0.03 0.00 -0.76 0.00 0.00 57.45 56.83 2gqs n PHE 214 Cb 0.13 -1.11 0.16 0.00 0.35 0.00 0.00 39.48 39.01 2gqs n PHE 214 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gqs h ARG 215 N -0.06 0.96 -0.40 -4.13 3.08 -0.47 -3.13 114.38 110.23 2gqs h ARG 215 Ca -0.47 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.41 2gqs h ARG 215 Cb 1.93 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 31.82 2gqs h ARG 215 CO -0.00 0.80 0.00 1.04 -1.07 0.00 0.00 179.97 180.74 2gqs n GLN 216 N -4.29 3.76 -3.69 0.04 6.02 0.13 -5.00 117.38 114.34 2gqs n GLN 216 Ca 0.05 -2.97 -0.27 0.00 -0.01 0.00 0.00 57.00 53.81 2gqs n GLN 216 Cb 0.19 -2.02 0.03 0.00 1.02 0.00 0.00 30.24 29.47 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 0.01 -3.67 -0.00 1.08 7.64 -1.19 -4.91 113.62 112.58 2gqs n SER 217 Ca 0.24 -0.95 0.07 0.00 1.01 0.00 0.00 58.87 59.24 2gqs n SER 217 Cb 1.02 -3.63 -0.09 0.00 -1.01 0.00 0.00 64.21 60.49 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 -4.16 0.56 0.00 -3.43 4.77 0.22 -5.04 117.00 109.92 2gqs n LEU 218 Ca -0.17 -0.41 0.06 0.00 -0.03 0.00 0.00 56.01 55.46 2gqs n LEU 218 Cb 0.63 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.70 2gqs n LEU 218 CO 0.68 0.14 -0.08 0.61 -1.33 0.00 0.00 177.39 177.41 2gqs n GLY 219 N 1.40 -1.78 2.68 -0.72 0.00 -1.06 -4.93 105.19 100.78 2gqs n GLY 219 Ca 0.02 -1.26 -0.20 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.49 -0.51 0.23 -0.02 0.00 -1.26 -4.82 105.19 97.32 2gqs n GLY 220 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.48 -0.65 -1.25 0.99 5.85 -1.91 -1.96 115.31 115.90 2gqs h LEU 221 Ca -0.45 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 2gqs h LEU 221 Cb 1.32 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.54 2gqs h LEU 221 CO 0.52 -0.30 0.35 0.40 -0.34 0.00 0.00 178.44 179.06 2gqs h ILE 222 N -0.46 1.19 -0.94 4.05 5.03 -1.93 -1.31 117.51 123.15 2gqs h ILE 222 Ca -0.03 -0.46 0.03 0.00 -0.12 0.00 0.00 64.86 64.28 2gqs h ILE 222 Cb 0.40 0.34 -0.05 0.00 -3.03 0.00 0.00 36.82 34.47 2gqs h ILE 222 CO -0.04 0.21 0.61 -0.33 -0.68 0.00 0.00 178.15 177.92 2gqs h GLU 223 N 0.87 1.16 -0.32 2.37 3.07 -1.95 0.83 114.58 120.61 2gqs h GLU 223 Ca 0.22 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.88 2gqs h GLU 223 Cb 0.02 -0.26 -0.00 0.00 -0.84 0.00 0.00 28.75 27.66 2gqs h GLU 223 CO -0.04 0.77 -0.32 0.00 -1.40 0.00 0.00 179.01 178.02 2gqs h ALA 224 N 1.38 0.47 -0.40 3.43 0.00 -0.59 -1.21 119.26 122.34 2gqs h ALA 224 Ca 0.37 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gqs h ALA 224 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gqs h ALA 224 CO -0.11 0.52 0.27 1.88 0.00 0.00 0.00 179.25 181.80 2gqs h TYR 225 N 0.55 0.51 -0.12 0.00 -1.99 -0.66 -2.08 116.97 113.19 2gqs h TYR 225 Ca 0.05 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 2gqs h TYR 225 Cb 0.90 -0.17 -0.01 0.00 2.00 0.00 0.00 36.73 39.44 2gqs h TYR 225 CO 0.07 0.33 -0.37 0.93 -0.00 0.00 0.00 178.16 179.11 2gqs h GLU 226 N 0.55 0.25 -0.42 4.88 5.08 -0.81 -1.55 114.58 122.55 2gqs h GLU 226 Ca 0.15 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2gqs h GLU 226 Cb -0.06 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2gqs h GLU 226 CO -0.03 0.59 0.18 0.00 -1.00 0.00 0.00 179.01 178.75 2gqs h ALA 227 N 1.40 0.54 -0.54 3.43 0.00 -0.80 -0.26 119.26 123.03 2gqs h ALA 227 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2gqs h ALA 227 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2gqs h ALA 227 CO 0.06 0.14 0.10 0.28 0.00 0.00 0.00 179.25 179.82 2gqs h VAL 228 N 0.53 1.25 -0.55 0.00 2.07 -1.16 -1.67 116.25 116.73 2gqs h VAL 228 Ca 0.14 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.76 2gqs h VAL 228 Cb 0.17 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.71 2gqs h VAL 228 CO -0.01 0.34 0.31 0.00 0.02 0.00 0.00 177.57 178.22 2gqs h ALA 229 N 0.99 0.71 -0.67 1.67 0.00 -0.92 -1.81 119.26 119.24 2gqs h ALA 229 Ca 0.17 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 2gqs h ALA 229 Cb 0.40 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2gqs h ALA 229 CO 0.01 -0.01 0.18 0.00 0.00 0.00 0.00 179.25 179.43 2gqs h ARG 230 N 0.59 1.05 -0.04 0.00 3.08 -0.79 -1.48 114.38 116.79 2gqs h ARG 230 Ca 0.23 -0.23 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 2gqs h ARG 230 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2gqs h ARG 230 CO -0.13 0.91 -0.23 0.00 -1.07 0.00 0.00 179.97 179.45 2gqs h ARG 231 N 1.00 0.07 0.00 0.04 3.08 -0.78 -1.71 114.38 116.08 2gqs h ARG 231 Ca 0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2gqs h ARG 231 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2gqs h ARG 231 CO -0.00 0.30 0.00 -0.07 -1.07 0.00 0.00 179.97 179.13 2gqs h LEU 232 N 0.07 0.00 0.00 3.04 3.38 -0.81 -3.45 115.31 117.53 2gqs h LEU 232 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2gqs h LEU 232 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2gqs h LEU 232 CO 0.03 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.17 2gqs n GLY 233 N 0.74 0.84 3.71 0.83 0.00 -0.64 -5.09 105.19 105.58 2gqs n GLY 233 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.48 -0.39 1.61 1.01 -0.60 -4.99 120.40 119.51 2gqs s VAL 234 Ca 0.00 1.78 -0.22 0.00 0.00 0.00 0.00 61.98 63.54 2gqs s VAL 234 Cb 0.00 -4.14 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2gqs s VAL 234 CO 0.00 0.12 0.70 -1.10 0.00 0.00 0.00 175.10 174.81 2gqs s GLN 235 N 1.21 3.57 0.17 2.72 -1.52 -1.26 -4.16 119.66 120.39 2gqs s GLN 235 Ca 0.55 -0.01 0.10 0.00 -1.95 0.00 0.00 55.36 54.05 2gqs s GLN 235 Cb -0.24 -3.86 -0.11 0.00 -0.22 0.00 0.00 33.01 28.58 2gqs s GLN 235 CO 0.27 -0.88 1.34 -0.07 -0.25 0.00 0.00 175.29 175.70 2gqs h LEU 236 N 9.66 0.00 -0.70 2.90 3.38 -1.96 -3.52 115.31 125.07 2gqs h LEU 236 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2gqs h LEU 236 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2gqs h LEU 236 CO 0.89 0.84 0.00 0.47 0.09 0.00 0.00 178.44 180.72