#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gs3 s GLU 28 N 0.00 4.38 -0.03 -0.78 2.12 -1.26 -4.86 118.70 118.26 2gs3 s GLU 28 Ca 0.00 1.52 0.04 0.00 0.36 0.00 0.00 54.97 56.89 2gs3 s GLU 28 Cb 0.00 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.83 2gs3 s GLU 28 CO 0.00 -0.40 -0.15 -0.80 -0.54 0.00 0.00 175.26 173.37 2gs3 s ASN 29 N 1.30 1.83 0.17 -1.70 0.01 -1.26 -5.09 114.94 110.20 2gs3 s ASN 29 Ca 0.52 -0.29 -0.21 0.00 -0.71 0.00 0.00 52.86 52.16 2gs3 s ASN 29 Cb -0.21 -0.43 -0.08 0.00 0.41 0.00 0.00 41.25 40.94 2gs3 s ASN 29 CO 0.19 0.14 0.70 -1.48 -1.51 0.00 0.00 177.10 175.14 2gs3 s LEU 30 N -0.01 4.46 0.00 0.60 2.34 -1.26 -4.96 118.68 119.85 2gs3 s LEU 30 Ca -0.01 1.45 0.14 0.00 0.06 0.00 0.00 54.13 55.77 2gs3 s LEU 30 Cb -0.09 -3.34 0.00 0.00 -0.56 0.00 0.00 46.19 42.20 2gs3 s LEU 30 CO 0.01 0.14 0.80 -1.22 -1.06 0.00 0.00 176.35 175.03 2gs3 n TYR 31 N 1.22 0.00 -3.89 3.48 0.53 -1.26 -4.37 117.16 112.87 2gs3 n TYR 31 Ca -0.05 0.00 -0.31 0.00 -1.02 0.00 0.00 57.90 56.52 2gs3 n TYR 31 Cb 0.50 0.00 -0.13 0.00 -1.03 0.00 0.00 39.34 38.69 2gs3 n TYR 31 CO 0.00 0.00 0.00 0.12 -1.02 0.00 0.00 176.86 175.96 2gs3 s PHE 32 N -1.71 3.35 0.65 -0.72 5.36 -1.26 -4.98 117.98 118.67 2gs3 s PHE 32 Ca 0.12 -3.16 0.41 0.00 -0.96 0.00 0.00 56.93 53.35 2gs3 s PHE 32 Cb 0.12 -2.86 2.29 0.00 -0.34 0.00 0.00 43.02 42.23 2gs3 s PHE 32 CO 0.35 -0.70 2.35 -0.56 -1.46 0.00 0.00 175.22 175.19 2gs3 h GLN 33 N 6.25 0.00 -0.96 10.12 -0.00 -2.01 0.13 115.11 128.63 2gs3 h GLN 33 Ca 0.00 0.00 0.23 0.00 -0.00 0.00 0.00 58.65 58.88 2gs3 h GLN 33 Cb 0.86 0.00 -0.18 0.00 -0.00 0.00 0.00 27.48 28.16 2gs3 h GLN 33 CO 0.71 0.00 -0.10 0.45 -0.00 0.00 0.00 178.83 179.89 2gs3 n SER 34 N -3.25 -0.22 0.32 0.06 2.88 -1.26 -2.71 113.62 109.44 2gs3 n SER 34 Ca -0.03 1.65 0.20 0.00 -1.33 0.00 0.00 58.87 59.36 2gs3 n SER 34 Cb 0.08 -0.55 1.11 0.00 -0.75 0.00 0.00 64.21 64.09 2gs3 n SER 34 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 2gs3 h MET 35 N 0.00 0.00 0.00 -1.46 -1.53 -1.15 0.35 114.93 111.14 2gs3 h MET 35 Ca 0.53 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.79 2gs3 h MET 35 Cb 0.97 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.02 2gs3 h MET 35 CO -0.95 0.00 0.03 -0.09 0.14 0.00 0.00 176.91 176.04 2gs3 h ARG 36 N 0.00 0.00 -0.34 0.39 2.43 -1.73 -1.37 114.38 113.76 2gs3 h ARG 36 Ca 0.01 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2gs3 h ARG 36 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2gs3 h ARG 36 CO -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.46 2gs3 s ALA 38 N -1.21 3.18 -0.36 0.00 0.00 -0.52 -4.94 121.76 117.91 2gs3 s ALA 38 Ca 0.31 1.44 0.18 0.00 0.00 0.00 0.00 51.96 53.89 2gs3 s ALA 38 Cb 0.18 -3.58 -0.25 0.00 0.00 0.00 0.00 23.12 19.46 2gs3 s ALA 38 CO 0.24 -1.21 0.55 0.54 0.00 0.00 0.00 175.76 175.89 2gs3 n ARG 39 N -0.30 0.74 -3.68 0.00 5.12 -1.26 -5.03 116.66 112.25 2gs3 n ARG 39 Ca 0.06 -0.10 -0.14 0.00 -1.93 0.00 0.00 57.85 55.73 2gs3 n ARG 39 Cb 0.42 -1.41 -0.08 0.00 -1.16 0.00 0.00 32.46 30.23 2gs3 n ARG 39 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2gs3 s SER 40 N -3.58 -0.43 0.57 0.55 0.15 -1.26 -4.52 113.70 105.18 2gs3 s SER 40 Ca -0.01 0.61 0.28 0.00 0.70 0.00 0.00 55.95 57.53 2gs3 s SER 40 Cb 0.13 0.66 1.50 0.00 -1.71 0.00 0.00 66.02 66.59 2gs3 s SER 40 CO 0.76 -0.37 1.96 -0.03 1.20 0.00 0.00 173.24 176.77 2gs3 h MET 41 N 4.30 0.00 0.00 5.44 4.05 -1.26 -2.23 114.93 125.23 2gs3 h MET 41 Ca -0.28 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 2gs3 h MET 41 Cb 1.17 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.97 2gs3 h MET 41 CO 0.31 0.00 0.00 0.72 0.23 0.00 0.00 176.91 178.17 2gs3 n HIS 42 N -3.92 0.00 1.54 1.39 8.25 -1.26 -1.68 115.22 119.53 2gs3 n HIS 42 Ca 0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.68 2gs3 n HIS 42 Cb 0.60 -0.41 0.56 0.00 1.12 0.00 0.00 29.99 31.86 2gs3 n HIS 42 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2gs3 n GLU 43 N -1.41 1.58 -4.18 -0.41 1.02 -0.84 -3.59 120.64 112.81 2gs3 n GLU 43 Ca 0.04 -0.86 -0.24 0.00 -0.02 0.00 0.00 57.16 56.08 2gs3 n GLU 43 Cb 0.11 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 29.98 2gs3 n GLU 43 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2gs3 s PHE 44 N -2.02 2.64 0.05 -0.32 0.08 -0.68 -5.03 117.98 112.71 2gs3 s PHE 44 Ca 0.38 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 57.00 2gs3 s PHE 44 Cb 0.21 -1.64 -0.04 0.00 -0.57 0.00 0.00 43.02 40.98 2gs3 s PHE 44 CO 0.34 0.36 -0.04 -1.12 -0.10 0.00 0.00 175.22 174.67 2gs3 s SER 45 N -3.81 0.57 0.03 1.36 0.01 -1.26 -1.15 113.70 109.45 2gs3 s SER 45 Ca 0.37 -0.96 -0.22 0.00 1.31 0.00 0.00 55.95 56.45 2gs3 s SER 45 Cb -0.01 0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.45 2gs3 s SER 45 CO 0.22 -0.56 0.50 0.00 0.41 0.00 0.00 173.24 173.81 2gs3 s ALA 46 N -3.69 -1.27 -0.03 1.44 0.00 -0.56 -4.92 121.76 112.74 2gs3 s ALA 46 Ca 0.06 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 2gs3 s ALA 46 Cb 0.06 0.32 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 2gs3 s ALA 46 CO -0.09 -0.46 1.09 0.15 0.00 0.00 0.00 175.76 176.45 2gs3 s LYS 47 N -2.24 4.44 1.13 0.00 1.02 -1.26 -0.67 119.74 122.15 2gs3 s LYS 47 Ca -0.06 1.56 -0.16 0.00 0.02 0.00 0.00 55.97 57.32 2gs3 s LYS 47 Cb -0.01 -3.48 0.25 0.00 -0.52 0.00 0.00 37.83 34.07 2gs3 s LYS 47 CO -0.00 -0.26 1.10 0.16 -0.92 0.00 0.00 175.35 175.42 2gs3 s ASP 48 N 1.17 1.55 0.47 2.83 1.47 0.76 -1.39 116.67 123.53 2gs3 s ASP 48 Ca 0.54 0.88 0.31 0.00 1.18 0.00 0.00 52.55 55.46 2gs3 s ASP 48 Cb -0.23 -1.33 1.29 0.00 -0.34 0.00 0.00 42.92 42.31 2gs3 s ASP 48 CO 0.24 -3.76 1.92 -0.29 0.68 0.00 0.00 175.17 173.96 2gs3 h ILE 49 N -2.33 0.00 -0.01 2.11 2.10 -1.50 -0.58 117.51 117.30 2gs3 h ILE 49 Ca -0.50 -0.41 0.00 0.00 1.08 0.00 0.00 64.86 65.04 2gs3 h ILE 49 Cb 1.31 1.32 0.00 0.00 -1.09 0.00 0.00 36.82 38.36 2gs3 h ILE 49 CO 0.45 0.00 -0.08 0.47 -1.08 0.00 0.00 178.15 177.91 2gs3 n ASP 50 N -2.83 0.62 0.00 2.19 8.00 -1.26 -4.68 116.55 118.59 2gs3 n ASP 50 Ca 0.01 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.65 2gs3 n ASP 50 Cb 0.27 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2gs3 n ASP 50 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2gs3 n GLY 51 N 1.21 0.81 3.80 0.44 0.00 -0.24 -5.08 105.19 106.13 2gs3 n GLY 51 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 2gs3 n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2gs3 s HIS 52 N -2.10 3.61 0.22 1.61 3.76 -1.26 -4.78 115.29 116.34 2gs3 s HIS 52 Ca 0.00 0.80 -0.30 0.00 -0.15 0.00 0.00 55.06 55.41 2gs3 s HIS 52 Cb 0.00 -2.29 -0.10 0.00 1.11 0.00 0.00 32.58 31.30 2gs3 s HIS 52 CO 0.00 0.48 1.42 -1.64 -0.85 0.00 0.00 174.74 174.15 2gs3 s MET 53 N -0.41 4.29 -0.11 1.40 -1.94 -1.26 -0.17 119.30 121.11 2gs3 s MET 53 Ca 0.21 2.23 0.03 0.00 -1.71 0.00 0.00 55.69 56.45 2gs3 s MET 53 Cb -0.15 -3.14 0.01 0.00 2.01 0.00 0.00 34.83 33.56 2gs3 s MET 53 CO 0.09 -0.40 -0.19 0.08 -0.01 0.00 0.00 175.02 174.59 2gs3 s VAL 54 N 0.23 1.74 -0.19 -6.03 1.01 0.15 -4.89 120.40 112.43 2gs3 s VAL 54 Ca 0.60 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.52 2gs3 s VAL 54 Cb -0.40 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.42 2gs3 s VAL 54 CO 0.40 0.49 0.89 0.21 0.00 0.00 0.00 175.10 177.09 2gs3 s ASN 55 N 0.75 6.99 0.00 3.32 3.84 -1.26 -1.49 114.94 127.09 2gs3 s ASN 55 Ca -0.11 1.23 0.22 0.00 0.21 0.00 0.00 52.86 54.41 2gs3 s ASN 55 Cb -0.16 -2.48 1.19 0.00 -0.55 0.00 0.00 41.25 39.25 2gs3 s ASN 55 CO 0.01 -0.48 1.69 0.18 -2.79 0.00 0.00 177.10 175.72 2gs3 n LEU 56 N 5.55 0.00 0.08 3.21 4.77 -0.30 -2.23 117.00 128.09 2gs3 n LEU 56 Ca 0.07 0.16 0.08 0.00 -0.03 0.00 0.00 56.01 56.29 2gs3 n LEU 56 Cb 0.48 -0.16 0.38 0.00 -2.33 0.00 0.00 43.42 41.79 2gs3 n LEU 56 CO 0.49 -0.05 0.75 -0.90 -1.33 0.00 0.00 177.39 176.36 2gs3 n ASP 57 N -1.16 0.36 0.25 -1.43 5.68 -1.24 -2.03 116.55 116.99 2gs3 n ASP 57 Ca 0.13 0.62 0.17 0.00 -0.50 0.00 0.00 54.79 55.21 2gs3 n ASP 57 Cb 0.13 -0.69 0.82 0.00 -1.14 0.00 0.00 41.12 40.24 2gs3 n ASP 57 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2gs3 h LYS 58 N 0.00 0.00 -0.15 0.11 2.10 -1.81 -2.11 116.57 114.71 2gs3 h LYS 58 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2gs3 h LYS 58 Cb 0.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.50 2gs3 h LYS 58 CO 0.00 0.00 0.00 0.66 -2.00 0.00 0.00 179.45 178.11 2gs3 n TYR 59 N -2.76 0.19 -1.92 0.07 4.01 -0.86 -4.90 117.16 110.99 2gs3 n TYR 59 Ca -0.01 -0.09 -0.42 0.00 -0.16 0.00 0.00 57.90 57.22 2gs3 n TYR 59 Cb 0.15 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.15 2gs3 n TYR 59 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2gs3 s ARG 60 N -1.81 4.21 0.00 -0.72 3.52 -0.80 -1.49 118.95 121.86 2gs3 s ARG 60 Ca 0.32 2.39 0.00 0.00 -0.13 0.00 0.00 55.73 58.31 2gs3 s ARG 60 Cb 0.17 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.44 2gs3 s ARG 60 CO 0.26 -0.58 0.00 0.41 -0.81 0.00 0.00 175.30 174.58 2gs3 n GLY 61 N 3.30 0.76 3.43 8.12 0.00 -0.67 -5.05 105.19 115.08 2gs3 n GLY 61 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.85 2gs3 n GLY 61 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2gs3 s PHE 62 N -2.84 2.40 -0.09 1.61 0.08 -0.56 -4.91 117.98 113.67 2gs3 s PHE 62 Ca 0.00 -0.33 -0.20 0.00 0.12 0.00 0.00 56.93 56.52 2gs3 s PHE 62 Cb 0.00 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 41.12 2gs3 s PHE 62 CO 0.00 0.36 0.56 0.08 -0.10 0.00 0.00 175.22 176.12 2gs3 s VAL 63 N -1.09 5.11 0.03 -0.44 1.01 -0.65 -3.70 120.40 120.67 2gs3 s VAL 63 Ca 0.16 1.15 0.07 0.00 0.00 0.00 0.00 61.98 63.35 2gs3 s VAL 63 Cb -0.10 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 2gs3 s VAL 63 CO 0.08 0.31 -0.20 0.00 0.00 0.00 0.00 175.10 175.28 2gs3 s ILE 65 N -0.71 4.27 -0.20 0.00 1.01 -0.42 -0.61 121.20 124.53 2gs3 s ILE 65 Ca 0.07 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.48 2gs3 s ILE 65 Cb -0.08 -2.99 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2gs3 s ILE 65 CO 0.01 0.35 0.01 -0.69 0.00 0.00 0.00 174.94 174.62 2gs3 s VAL 66 N 1.53 4.06 0.02 2.92 1.01 0.41 -0.96 120.40 129.39 2gs3 s VAL 66 Ca 0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.75 2gs3 s VAL 66 Cb -0.15 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 2gs3 s VAL 66 CO 0.03 0.42 -0.00 0.28 0.00 0.00 0.00 175.10 175.84 2gs3 s THR 67 N 0.98 0.11 -0.14 3.92 -1.32 -0.58 -0.58 115.64 118.03 2gs3 s THR 67 Ca 0.02 -0.91 -0.13 0.00 -1.21 0.00 0.00 61.69 59.46 2gs3 s THR 67 Cb -0.14 -0.34 -0.05 0.00 -1.51 0.00 0.00 72.50 70.46 2gs3 s THR 67 CO 0.02 -0.50 0.30 0.54 -2.21 0.00 0.00 174.62 172.77 2gs3 s ASN 68 N -1.51 6.48 0.28 8.08 4.22 -1.15 -1.03 114.94 130.31 2gs3 s ASN 68 Ca -0.15 0.56 0.12 0.00 -2.14 0.00 0.00 52.86 51.25 2gs3 s ASN 68 Cb -0.09 -2.18 -0.05 0.00 1.28 0.00 0.00 41.25 40.21 2gs3 s ASN 68 CO -0.01 0.15 -0.18 0.68 -2.04 0.00 0.00 177.10 175.70 2gs3 s VAL 69 N 0.18 2.58 -0.02 3.54 -7.23 -0.11 0.18 120.40 119.52 2gs3 s VAL 69 Ca 0.17 -2.35 -0.13 0.00 -1.81 0.00 0.00 61.98 57.87 2gs3 s VAL 69 Cb -0.13 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.47 2gs3 s VAL 69 CO 0.05 -0.39 0.28 0.00 -0.31 0.00 0.00 175.10 174.73 2gs3 s ALA 70 N -2.47 -0.70 -0.11 1.32 0.00 -1.26 -1.47 121.76 117.07 2gs3 s ALA 70 Ca 0.30 0.30 0.16 0.00 0.00 0.00 0.00 51.96 52.72 2gs3 s ALA 70 Cb -0.05 0.02 -0.14 0.00 0.00 0.00 0.00 23.12 22.94 2gs3 s ALA 70 CO 0.15 -0.24 0.82 0.77 0.00 0.00 0.00 175.76 177.27 2gs3 h SER 71 N 4.13 0.00 -0.37 0.00 0.02 -1.83 -3.38 113.55 112.12 2gs3 h SER 71 Ca -0.29 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.47 2gs3 h SER 71 Cb 1.18 0.00 -0.11 0.00 0.14 0.00 0.00 62.40 63.61 2gs3 h SER 71 CO 0.39 0.63 -0.05 0.00 -1.14 0.00 0.00 176.83 176.67 2gs3 n GLN 72 N -2.92 1.91 -2.83 3.45 6.02 -0.27 -4.92 117.38 117.82 2gs3 n GLN 72 Ca -0.10 -3.17 -0.30 0.00 -0.01 0.00 0.00 57.00 53.42 2gs3 n GLN 72 Cb 0.87 -1.83 -0.03 0.00 1.02 0.00 0.00 30.24 30.26 2gs3 n GLN 72 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2gs3 s GLY 73 N -2.46 1.91 0.57 1.08 0.00 -1.26 -4.87 107.32 102.28 2gs3 s GLY 73 Ca 0.45 -0.22 0.32 0.00 0.00 0.00 0.00 44.72 45.26 2gs3 s GLY 73 CO 0.01 -0.04 2.16 -1.33 0.00 0.00 0.00 173.10 173.90 2gs3 h GLY 74 N 1.16 0.00 -1.48 0.20 0.00 -1.96 -2.59 103.07 98.40 2gs3 h GLY 74 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2gs3 h GLY 74 CO 0.64 0.00 0.00 0.28 0.00 0.00 0.00 176.54 177.46 2gs3 n LYS 75 N -3.55 2.85 -0.07 4.80 5.02 -1.26 -4.71 118.16 121.24 2gs3 n LYS 75 Ca -0.02 -2.73 -0.09 0.00 -2.02 0.00 0.00 58.31 53.45 2gs3 n LYS 75 Cb 0.18 -1.76 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 2gs3 n LYS 75 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2gs3 h THR 76 N 1.73 1.02 -0.16 -0.18 2.02 -1.75 -1.92 112.91 113.68 2gs3 h THR 76 Ca 0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2gs3 h THR 76 Cb 1.34 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.41 2gs3 h THR 76 CO 0.19 0.06 0.07 -0.08 0.37 0.00 0.00 175.52 176.12 2gs3 h GLU 77 N 0.32 0.23 -0.63 6.66 4.81 -1.84 -1.17 114.58 122.97 2gs3 h GLU 77 Ca 0.11 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.23 2gs3 h GLU 77 Cb 0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 2gs3 h GLU 77 CO -0.06 0.31 0.12 -0.24 -0.73 0.00 0.00 179.01 178.41 2gs3 h VAL 78 N 0.11 1.26 0.02 0.32 3.04 -1.89 -1.67 116.25 117.43 2gs3 h VAL 78 Ca 0.05 -0.98 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 2gs3 h VAL 78 Cb 0.16 0.68 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 2gs3 h VAL 78 CO -0.01 0.37 -0.01 0.78 -1.01 0.00 0.00 177.57 177.69 2gs3 h ASN 79 N 0.94 -0.03 -0.75 3.17 2.35 -1.20 -0.94 115.58 119.12 2gs3 h ASN 79 Ca 0.19 -0.33 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2gs3 h ASN 79 Cb 0.40 0.01 -0.04 0.00 0.05 0.00 0.00 38.32 38.74 2gs3 h ASN 79 CO 0.01 0.32 0.41 1.88 -1.65 0.00 0.00 177.43 178.40 2gs3 h TYR 80 N -0.38 1.02 -0.16 1.19 -1.99 -1.21 -0.86 116.97 114.58 2gs3 h TYR 80 Ca -0.00 -0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.70 2gs3 h TYR 80 Cb 0.36 -0.33 -0.01 0.00 2.00 0.00 0.00 36.73 38.75 2gs3 h TYR 80 CO 0.04 0.72 0.08 1.15 -0.00 0.00 0.00 178.16 180.15 2gs3 h THR 81 N 1.03 1.11 -0.02 -2.88 2.02 -1.26 -0.99 112.91 111.93 2gs3 h THR 81 Ca 0.26 -0.32 -0.16 0.00 0.77 0.00 0.00 66.41 66.96 2gs3 h THR 81 Cb 0.03 1.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2gs3 h THR 81 CO -0.04 0.11 -0.71 1.56 0.37 0.00 0.00 175.52 176.81 2gs3 h GLN 82 N 0.14 0.10 -0.46 6.66 4.20 -1.02 -2.04 115.11 122.69 2gs3 h GLN 82 Ca 0.05 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.60 2gs3 h GLN 82 Cb 0.10 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2gs3 h GLN 82 CO -0.01 0.76 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.80 2gs3 h LEU 83 N 0.06 0.83 -0.72 1.46 3.38 -1.01 -1.27 115.31 118.05 2gs3 h LEU 83 Ca -0.01 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2gs3 h LEU 83 Cb 1.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 2gs3 h LEU 83 CO 0.10 0.96 0.33 0.58 0.09 0.00 0.00 178.44 180.50 2gs3 h VAL 84 N 0.68 1.24 0.01 1.22 2.07 -1.07 -1.11 116.25 119.29 2gs3 h VAL 84 Ca 0.13 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 2gs3 h VAL 84 Cb 0.56 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 2gs3 h VAL 84 CO 0.03 0.29 -0.01 -0.78 0.02 0.00 0.00 177.57 177.12 2gs3 h ASP 85 N 1.01 -0.01 -0.47 0.57 3.58 -1.28 -0.12 116.42 119.70 2gs3 h ASP 85 Ca 0.24 -0.08 0.03 0.00 0.42 0.00 0.00 57.03 57.65 2gs3 h ASP 85 Cb 0.15 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 2gs3 h ASP 85 CO -0.03 0.07 0.25 -0.07 -2.88 0.00 0.00 179.24 176.58 2gs3 h LEU 86 N -0.09 0.37 -0.40 2.28 3.38 -1.10 -0.10 115.31 119.66 2gs3 h LEU 86 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2gs3 h LEU 86 Cb 0.09 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2gs3 h LEU 86 CO 0.00 0.26 0.26 -0.74 0.09 0.00 0.00 178.44 178.31 2gs3 h HIS 87 N 0.49 0.50 -0.71 1.13 2.76 -1.09 0.13 115.15 118.37 2gs3 h HIS 87 Ca 0.20 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.42 2gs3 h HIS 87 Cb 0.09 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.83 2gs3 h HIS 87 CO -0.09 0.33 0.43 0.00 -1.30 0.00 0.00 177.93 177.30 2gs3 h ALA 88 N 1.14 0.93 0.00 5.26 0.00 -0.67 -0.82 119.26 125.10 2gs3 h ALA 88 Ca 0.14 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2gs3 h ALA 88 Cb -0.05 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2gs3 h ALA 88 CO -0.03 0.18 -0.63 0.00 0.00 0.00 0.00 179.25 178.77 2gs3 h ARG 89 N 0.83 0.00 0.00 0.00 3.08 -0.47 -3.39 114.38 114.43 2gs3 h ARG 89 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2gs3 h ARG 89 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.12 2gs3 h ARG 89 CO -0.13 0.23 0.00 0.66 -1.07 0.00 0.00 179.97 179.67 2gs3 n TYR 90 N -3.03 0.00 -0.34 3.04 4.01 0.42 -4.71 117.16 116.55 2gs3 n TYR 90 Ca 0.00 -0.09 0.03 0.00 -0.16 0.00 0.00 57.90 57.68 2gs3 n TYR 90 Cb 0.67 -0.01 0.21 0.00 -0.31 0.00 0.00 39.34 39.90 2gs3 n TYR 90 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2gs3 h ALA 91 N 0.00 1.46 0.00 -0.72 0.00 -1.32 -0.16 119.26 118.52 2gs3 h ALA 91 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2gs3 h ALA 91 Cb 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gs3 h ALA 91 CO 0.00 0.40 0.00 0.93 0.00 0.00 0.00 179.25 180.58 2gs3 h GLU 92 N 1.10 0.00 0.00 0.00 5.08 -1.84 -2.05 114.58 116.87 2gs3 h GLU 92 Ca 0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 2gs3 h GLU 92 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2gs3 h GLU 92 CO -0.16 0.00 -0.54 0.00 -1.00 0.00 0.00 179.01 177.31 2gs3 n GLY 94 N 1.45 1.44 3.72 0.00 0.00 -0.77 -4.92 105.19 106.11 2gs3 n GLY 94 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 2gs3 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2gs3 s LEU 95 N 0.00 4.43 0.11 0.99 2.96 -0.81 -1.64 118.68 124.72 2gs3 s LEU 95 Ca 0.00 1.73 0.07 0.00 -0.22 0.00 0.00 54.13 55.71 2gs3 s LEU 95 Cb 0.00 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.08 2gs3 s LEU 95 CO 0.00 -0.18 -0.18 -0.13 -1.32 0.00 0.00 176.35 174.54 2gs3 s ARG 96 N 0.57 1.08 -0.07 1.98 1.81 0.32 -4.23 118.95 120.40 2gs3 s ARG 96 Ca 0.50 -1.19 0.02 0.00 -1.72 0.00 0.00 55.73 53.34 2gs3 s ARG 96 Cb -0.22 -1.18 0.01 0.00 -0.45 0.00 0.00 34.95 33.11 2gs3 s ARG 96 CO 0.29 0.26 -0.12 0.42 -0.68 0.00 0.00 175.30 175.47 2gs3 s ILE 97 N -1.54 1.14 -0.24 1.52 1.01 -1.26 -1.31 121.20 120.52 2gs3 s ILE 97 Ca 0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 60.65 60.22 2gs3 s ILE 97 Cb -0.08 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.35 2gs3 s ILE 97 CO 0.04 0.36 -0.05 -0.76 0.00 0.00 0.00 174.94 174.53 2gs3 s LEU 98 N 0.74 3.13 -0.20 2.97 1.02 -0.13 -1.48 118.68 124.73 2gs3 s LEU 98 Ca -0.13 -0.73 -0.04 0.00 0.02 0.00 0.00 54.13 53.25 2gs3 s LEU 98 Cb -0.16 -1.69 -0.02 0.00 0.02 0.00 0.00 46.19 44.34 2gs3 s LEU 98 CO 0.03 -0.10 -0.03 0.00 0.02 0.00 0.00 176.35 176.27 2gs3 s ALA 99 N 1.38 2.90 -0.34 4.21 0.00 -0.28 -1.53 121.76 128.10 2gs3 s ALA 99 Ca 0.02 -1.06 -0.04 0.00 0.00 0.00 0.00 51.96 50.88 2gs3 s ALA 99 Cb -0.16 -1.70 0.06 0.00 0.00 0.00 0.00 23.12 21.32 2gs3 s ALA 99 CO -0.04 -0.24 0.09 -0.06 0.00 0.00 0.00 175.76 175.51 2gs3 s PHE 100 N 1.17 3.33 0.50 0.00 0.08 -0.20 -0.78 117.98 122.07 2gs3 s PHE 100 Ca 0.02 -1.79 -0.23 0.00 0.12 0.00 0.00 56.93 55.05 2gs3 s PHE 100 Cb -0.15 -2.43 -0.06 0.00 -0.57 0.00 0.00 43.02 39.81 2gs3 s PHE 100 CO 0.00 -0.81 1.36 -2.14 -0.10 0.00 0.00 175.22 173.52 2gs3 s PRO 101 N 1.30 3.41 -0.18 0.24 0.02 -1.26 -0.93 135.00 137.60 2gs3 s PRO 101 Ca -0.01 2.24 -0.11 0.00 0.02 0.00 0.00 61.00 63.14 2gs3 s PRO 101 Cb -0.20 -2.42 0.06 0.00 0.02 0.00 0.00 34.50 31.95 2gs3 s PRO 101 CO -0.00 -0.98 0.44 0.00 -0.33 0.00 0.00 177.00 176.13 2gs3 n ASN 103 N 3.94 5.01 -0.11 0.00 5.15 -1.26 -4.26 115.26 123.73 2gs3 n ASN 103 Ca -0.21 -3.04 0.13 0.00 -0.60 0.00 0.00 54.58 50.86 2gs3 n ASN 103 Cb 0.56 -0.66 0.41 0.00 -0.53 0.00 0.00 39.78 39.56 2gs3 n ASN 103 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2gs3 n GLN 104 N 0.12 0.45 -3.94 1.20 6.02 -1.26 -3.43 117.38 116.55 2gs3 n GLN 104 Ca 0.29 -0.23 -0.32 0.00 -0.01 0.00 0.00 57.00 56.74 2gs3 n GLN 104 Cb 1.16 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.78 2gs3 n GLN 104 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 2gs3 s PHE 105 N -2.70 3.51 -1.81 1.08 0.08 -1.26 -4.63 117.98 112.24 2gs3 s PHE 105 Ca 0.20 -2.96 0.00 0.00 0.12 0.00 0.00 56.93 54.29 2gs3 s PHE 105 Cb 0.19 -2.96 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 2gs3 s PHE 105 CO 0.57 -0.87 0.00 0.41 -0.10 0.00 0.00 175.22 175.23 2gs3 n GLY 106 N 3.83 1.03 3.93 4.36 0.00 -1.26 -2.68 105.19 114.40 2gs3 n GLY 106 Ca 0.04 -0.13 -0.29 0.00 0.00 0.00 0.00 46.02 45.64 2gs3 n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gs3 n LYS 107 N -2.57 -2.40 -0.53 1.61 5.02 -1.22 -4.88 118.16 113.20 2gs3 n LYS 107 Ca -0.20 0.37 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 2gs3 n LYS 107 Cb 0.62 -4.20 0.34 0.00 -0.02 0.00 0.00 35.03 31.77 2gs3 n LYS 107 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2gs3 n GLN 108 N -4.42 3.34 -3.19 1.97 6.02 -1.09 -4.15 117.38 115.86 2gs3 n GLN 108 Ca -0.25 -2.68 -0.19 0.00 -0.01 0.00 0.00 57.00 53.87 2gs3 n GLN 108 Cb 0.66 -1.78 -0.03 0.00 1.02 0.00 0.00 30.24 30.10 2gs3 n GLN 108 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2gs3 n GLU 109 N 1.22 0.95 0.14 -1.09 4.07 -1.26 -1.11 120.64 123.56 2gs3 n GLU 109 Ca 0.24 -3.36 0.13 0.00 -0.06 0.00 0.00 57.16 54.11 2gs3 n GLU 109 Cb 0.78 -1.66 0.36 0.00 -0.06 0.00 0.00 31.44 30.87 2gs3 n GLU 109 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 2gs3 h PRO 110 N 3.09 0.00 -7.54 5.31 0.13 -1.94 -3.39 132.00 127.67 2gs3 h PRO 110 Ca 0.10 0.00 -0.44 0.00 -0.87 0.00 0.00 66.00 64.78 2gs3 h PRO 110 Cb 0.96 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.25 2gs3 h PRO 110 CO 0.50 0.00 0.27 0.20 -0.23 0.00 0.00 178.00 178.74 2gs3 s GLY 111 N -3.76 1.63 0.71 1.56 0.00 -1.26 -5.05 107.32 101.15 2gs3 s GLY 111 Ca 0.09 -0.82 -0.11 0.00 0.00 0.00 0.00 44.72 43.87 2gs3 s GLY 111 CO 0.60 -0.10 1.10 -1.35 0.00 0.00 0.00 173.10 173.34 2gs3 s SER 112 N -4.18 5.41 0.34 1.64 1.04 -1.26 -4.84 113.70 111.85 2gs3 s SER 112 Ca 0.69 1.15 0.04 0.00 0.48 0.00 0.00 55.95 58.30 2gs3 s SER 112 Cb -0.11 -1.94 0.67 0.00 0.10 0.00 0.00 66.02 64.74 2gs3 s SER 112 CO 0.54 -1.37 1.94 0.78 0.98 0.00 0.00 173.24 176.11 2gs3 h ASN 113 N -0.67 0.75 -0.44 7.02 2.35 -1.97 -0.33 115.58 122.30 2gs3 h ASN 113 Ca -0.45 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.28 2gs3 h ASN 113 Cb 1.25 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.45 2gs3 h ASN 113 CO 0.64 0.48 0.18 -0.33 -1.65 0.00 0.00 177.43 176.74 2gs3 h GLU 114 N 0.85 0.65 -0.62 0.81 3.07 -1.93 -0.09 114.58 117.33 2gs3 h GLU 114 Ca 0.35 -0.12 -0.08 0.00 -0.50 0.00 0.00 59.36 59.01 2gs3 h GLU 114 Cb 0.26 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.04 2gs3 h GLU 114 CO -0.12 0.60 0.09 0.93 -1.40 0.00 0.00 179.01 179.10 2gs3 h GLU 115 N 0.56 1.04 -0.59 2.33 5.08 -1.77 -2.50 114.58 118.73 2gs3 h GLU 115 Ca 0.15 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 2gs3 h GLU 115 Cb 0.19 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2gs3 h GLU 115 CO -0.01 0.97 0.11 0.82 -1.00 0.00 0.00 179.01 179.90 2gs3 h ILE 116 N 0.94 1.24 -0.34 3.13 2.04 -0.85 -0.50 117.51 123.18 2gs3 h ILE 116 Ca 0.19 -0.93 0.01 0.00 1.00 0.00 0.00 64.86 65.13 2gs3 h ILE 116 Cb 0.45 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 2gs3 h ILE 116 CO 0.01 0.35 0.20 0.50 0.00 0.00 0.00 178.15 179.21 2gs3 h LYS 117 N 0.89 0.40 -0.21 2.37 3.64 -0.83 -1.27 116.57 121.56 2gs3 h LYS 117 Ca 0.18 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.43 2gs3 h LYS 117 Cb 0.37 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2gs3 h LYS 117 CO 0.01 0.26 -0.34 1.49 -2.27 0.00 0.00 179.45 178.60 2gs3 h GLU 118 N 0.41 0.44 -0.03 1.90 4.57 -1.17 -1.84 114.58 118.86 2gs3 h GLU 118 Ca 0.14 -0.19 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2gs3 h GLU 118 Cb 0.00 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2gs3 h GLU 118 CO -0.06 0.73 -0.05 0.35 -1.18 0.00 0.00 179.01 178.79 2gs3 h PHE 119 N 0.38 -0.12 -0.56 0.92 3.57 -0.65 -2.46 116.94 118.02 2gs3 h PHE 119 Ca 0.04 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.55 2gs3 h PHE 119 Cb 0.77 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.55 2gs3 h PHE 119 CO 0.02 -0.08 0.34 0.00 -2.23 0.00 0.00 178.31 176.37 2gs3 h ALA 120 N 0.95 1.56 -0.13 2.41 0.00 -1.07 -2.06 119.26 120.92 2gs3 h ALA 120 Ca 0.03 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2gs3 h ALA 120 Cb 0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2gs3 h ALA 120 CO -0.08 0.39 -0.08 0.00 0.00 0.00 0.00 179.25 179.49 2gs3 h ALA 121 N 1.62 1.64 0.00 0.00 0.00 -0.93 -1.44 119.26 120.15 2gs3 h ALA 121 Ca 0.20 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2gs3 h ALA 121 Cb -0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2gs3 h ALA 121 CO -0.04 0.27 -0.07 0.78 0.00 0.00 0.00 179.25 180.19 2gs3 h GLY 122 N 0.58 0.00 -1.56 0.00 0.00 -0.93 -1.04 103.07 100.12 2gs3 h GLY 122 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2gs3 h GLY 122 CO 0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.83 2gs3 n TYR 123 N -3.26 0.40 -3.64 5.60 4.01 -0.58 -4.95 117.16 114.74 2gs3 n TYR 123 Ca -0.01 -0.20 -0.24 0.00 -0.16 0.00 0.00 57.90 57.30 2gs3 n TYR 123 Cb 0.28 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.38 2gs3 n TYR 123 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2gs3 n ASN 124 N 0.88 -5.10 -4.68 7.72 3.02 -0.39 -4.93 115.26 111.76 2gs3 n ASN 124 Ca 0.17 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.69 2gs3 n ASN 124 Cb 0.45 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.81 2gs3 n ASN 124 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2gs3 s VAL 125 N -3.34 3.69 -1.08 2.41 1.01 -0.98 -4.89 120.40 117.23 2gs3 s VAL 125 Ca 0.48 1.03 0.09 0.00 0.00 0.00 0.00 61.98 63.57 2gs3 s VAL 125 Cb -0.22 -3.66 0.05 0.00 0.00 0.00 0.00 36.38 32.56 2gs3 s VAL 125 CO 0.75 -0.03 0.74 0.29 0.00 0.00 0.00 175.10 176.86 2gs3 n LYS 126 N 5.80 0.79 -0.87 2.72 4.76 -1.26 -4.82 118.16 125.27 2gs3 n LYS 126 Ca 0.14 -0.93 -0.06 0.00 -2.87 0.00 0.00 58.31 54.59 2gs3 n LYS 126 Cb 0.43 -1.14 0.04 0.00 -1.84 0.00 0.00 35.03 32.52 2gs3 n LYS 126 CO 0.00 0.00 0.00 1.97 -1.37 0.00 0.00 177.40 178.00 2gs3 n PHE 127 N 0.31 -3.53 -3.56 2.13 1.16 -1.26 -5.04 117.46 107.68 2gs3 n PHE 127 Ca 0.05 -0.38 -0.38 0.00 -1.87 0.00 0.00 57.45 54.87 2gs3 n PHE 127 Cb 0.22 -0.21 -0.10 0.00 -1.61 0.00 0.00 39.48 37.79 2gs3 n PHE 127 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 2gs3 s ASP 128 N -2.08 6.13 -0.13 5.98 1.01 -0.55 -5.01 116.67 122.01 2gs3 s ASP 128 Ca 0.17 0.12 -0.06 0.00 0.71 0.00 0.00 52.55 53.50 2gs3 s ASP 128 Cb -0.01 -2.14 -0.04 0.00 1.01 0.00 0.00 42.92 41.74 2gs3 s ASP 128 CO 0.12 -0.04 0.08 -0.04 0.21 0.00 0.00 175.17 175.49 2gs3 s MET 129 N 1.58 3.53 0.29 8.23 -1.94 -1.26 -1.12 119.30 128.60 2gs3 s MET 129 Ca 0.10 -0.27 0.09 0.00 -1.71 0.00 0.00 55.69 53.89 2gs3 s MET 129 Cb -0.15 -3.11 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 2gs3 s MET 129 CO 0.09 0.58 0.10 -0.06 -0.01 0.00 0.00 175.02 175.71 2gs3 s PHE 130 N -0.49 2.80 0.67 -0.03 0.08 0.04 -1.70 117.98 119.35 2gs3 s PHE 130 Ca 0.11 -0.25 -0.17 0.00 0.12 0.00 0.00 56.93 56.74 2gs3 s PHE 130 Cb -0.12 -1.39 0.00 0.00 -0.57 0.00 0.00 43.02 40.94 2gs3 s PHE 130 CO 0.02 0.50 1.28 -1.12 -0.10 0.00 0.00 175.22 175.80 2gs3 s SER 131 N -3.78 4.49 0.33 1.36 0.01 -0.49 -4.22 113.70 111.41 2gs3 s SER 131 Ca 0.34 2.58 -0.29 0.00 1.31 0.00 0.00 55.95 59.89 2gs3 s SER 131 Cb -0.06 -2.61 -0.11 0.00 0.21 0.00 0.00 66.02 63.45 2gs3 s SER 131 CO 0.22 -2.08 1.52 -0.75 0.41 0.00 0.00 173.24 172.56 2gs3 s LYS 132 N -3.48 4.13 0.31 12.44 2.20 -1.26 -4.43 119.74 129.65 2gs3 s LYS 132 Ca 0.81 2.55 0.04 0.00 -0.36 0.00 0.00 55.97 59.01 2gs3 s LYS 132 Cb -0.36 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 2gs3 s LYS 132 CO 0.41 -0.56 0.18 0.96 -0.36 0.00 0.00 175.35 175.98 2gs3 s ILE 133 N -0.59 0.23 0.05 5.43 -4.36 -0.41 -4.98 121.20 116.56 2gs3 s ILE 133 Ca 0.57 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.87 2gs3 s ILE 133 Cb -0.47 -2.49 -0.06 0.00 1.25 0.00 0.00 42.46 40.69 2gs3 s ILE 133 CO 0.55 0.00 0.37 0.00 0.24 0.00 0.00 174.94 176.11 2gs3 n VAL 135 N 1.08 0.00 -4.36 0.00 0.24 -1.26 -1.60 118.33 112.43 2gs3 n VAL 135 Ca -0.10 -0.31 -0.27 0.00 -2.04 0.00 0.00 64.34 61.63 2gs3 n VAL 135 Cb 0.52 0.23 -0.11 0.00 -1.47 0.00 0.00 33.84 33.02 2gs3 n VAL 135 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 2gs3 s ASN 136 N -3.50 3.83 0.00 -1.34 0.01 -1.26 -4.61 114.94 108.07 2gs3 s ASN 136 Ca -0.04 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.37 2gs3 s ASN 136 Cb 0.09 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.27 2gs3 s ASN 136 CO 0.57 0.11 0.00 0.61 -1.51 0.00 0.00 177.10 176.88 2gs3 n GLY 137 N 0.13 -3.08 0.23 0.66 0.00 -1.26 -4.03 105.19 97.84 2gs3 n GLY 137 Ca -0.11 -1.87 0.05 0.00 0.00 0.00 0.00 46.02 44.09 2gs3 n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2gs3 h ASP 138 N 0.00 0.00 -0.55 1.61 3.32 -1.93 -2.14 116.42 116.73 2gs3 h ASP 138 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2gs3 h ASP 138 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2gs3 h ASP 138 CO 0.00 0.17 0.00 0.47 -1.72 0.00 0.00 179.24 178.16 2gs3 n ASP 139 N -4.33 3.01 -4.74 6.45 8.00 -1.26 -4.91 116.55 118.78 2gs3 n ASP 139 Ca -0.02 -2.02 -0.42 0.00 0.71 0.00 0.00 54.79 53.04 2gs3 n ASP 139 Cb 0.24 -0.38 -0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2gs3 n ASP 139 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2gs3 n ALA 140 N 1.11 1.86 -1.69 2.24 0.00 -0.81 -4.49 120.51 118.74 2gs3 n ALA 140 Ca 0.19 0.35 -0.44 0.00 0.00 0.00 0.00 53.44 53.54 2gs3 n ALA 140 Cb 0.48 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.57 2gs3 n ALA 140 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2gs3 n HIS 141 N 0.51 2.30 -0.15 0.00 -0.00 -0.63 -4.76 115.22 112.49 2gs3 n HIS 141 Ca 0.03 0.43 0.16 0.00 0.46 0.00 0.00 57.72 58.81 2gs3 n HIS 141 Cb 0.37 -2.47 0.52 0.00 -0.12 0.00 0.00 29.99 28.29 2gs3 n HIS 141 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2gs3 h PRO 142 N 3.92 0.37 -0.91 1.57 0.11 -1.92 -0.88 132.00 134.25 2gs3 h PRO 142 Ca -0.46 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 2gs3 h PRO 142 Cb 1.27 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2gs3 h PRO 142 CO 0.73 0.24 0.56 1.25 -0.21 0.00 0.00 178.00 180.58 2gs3 h LEU 143 N 0.38 1.09 -0.27 2.35 5.85 -1.91 -0.47 115.31 122.32 2gs3 h LEU 143 Ca 0.36 -0.06 -0.20 0.00 0.84 0.00 0.00 57.88 58.82 2gs3 h LEU 143 Cb 0.88 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2gs3 h LEU 143 CO -0.11 0.83 -0.74 -0.50 -0.34 0.00 0.00 178.44 177.58 2gs3 h TRP 144 N 1.26 0.87 -0.70 1.25 4.06 -1.53 0.49 115.95 121.65 2gs3 h TRP 144 Ca 0.33 -0.38 0.03 0.00 2.06 0.00 0.00 58.89 60.94 2gs3 h TRP 144 Cb -0.07 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 27.91 2gs3 h TRP 144 CO 0.00 1.18 0.43 0.87 -3.56 0.00 0.00 178.44 177.37 2gs3 h LYS 145 N 0.45 0.82 -0.17 0.49 1.57 -1.10 -2.89 116.57 115.73 2gs3 h LYS 145 Ca -0.04 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2gs3 h LYS 145 Cb 1.34 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 2gs3 h LYS 145 CO 0.14 0.54 -0.17 2.35 -0.57 0.00 0.00 179.45 181.75 2gs3 h TRP 146 N 0.84 0.50 -0.98 -1.35 7.01 -0.86 -3.29 115.95 117.82 2gs3 h TRP 146 Ca 0.29 -0.15 0.04 0.00 2.11 0.00 0.00 58.89 61.18 2gs3 h TRP 146 Cb 0.04 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 26.94 2gs3 h TRP 146 CO -0.05 0.79 0.64 0.52 -2.79 0.00 0.00 178.44 177.55 2gs3 h MET 147 N 0.07 1.20 0.00 2.65 2.86 -0.86 -2.62 114.93 118.23 2gs3 h MET 147 Ca 0.03 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2gs3 h MET 147 Cb 0.70 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.09 2gs3 h MET 147 CO 0.04 0.79 0.00 0.36 1.06 0.00 0.00 176.91 179.16 2gs3 n LYS 148 N -4.47 0.10 -0.18 1.72 2.85 -1.10 -2.52 118.16 114.57 2gs3 n LYS 148 Ca 0.13 0.04 0.10 0.00 -1.05 0.00 0.00 58.31 57.54 2gs3 n LYS 148 Cb 0.11 -1.50 0.19 0.00 -0.65 0.00 0.00 35.03 33.17 2gs3 n LYS 148 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2gs3 n ILE 149 N -1.45 0.56 -2.41 0.58 -5.35 -1.00 -4.13 119.36 106.17 2gs3 n ILE 149 Ca 0.08 -0.78 -0.35 0.00 -0.27 0.00 0.00 62.75 61.43 2gs3 n ILE 149 Cb 0.28 0.90 -0.02 0.00 -1.74 0.00 0.00 39.64 39.06 2gs3 n ILE 149 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2gs3 s GLN 150 N -1.28 3.70 0.27 6.28 -1.52 -1.05 -4.93 119.66 121.13 2gs3 s GLN 150 Ca 0.33 1.53 -0.00 0.00 -1.95 0.00 0.00 55.36 55.27 2gs3 s GLN 150 Cb 0.19 -2.18 0.59 0.00 -0.22 0.00 0.00 33.01 31.39 2gs3 s GLN 150 CO 0.27 -0.55 1.71 -1.35 -0.25 0.00 0.00 175.29 175.12 2gs3 h PRO 151 N 1.65 0.42 -0.43 2.91 0.11 -1.91 -0.74 132.00 134.01 2gs3 h PRO 151 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2gs3 h PRO 151 Cb 1.24 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2gs3 h PRO 151 CO 0.59 0.28 0.00 1.63 -0.21 0.00 0.00 178.00 180.29 2gs3 n LYS 152 N -5.02 2.15 -0.12 1.05 4.76 -1.26 -3.86 118.16 115.86 2gs3 n LYS 152 Ca 0.18 -1.78 0.07 0.00 -2.87 0.00 0.00 58.31 53.91 2gs3 n LYS 152 Cb 0.53 -1.42 0.13 0.00 -1.84 0.00 0.00 35.03 32.43 2gs3 n LYS 152 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2gs3 n GLY 153 N 1.31 1.51 3.80 0.72 0.00 -0.30 -2.87 105.19 109.36 2gs3 n GLY 153 Ca 0.17 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 2gs3 n GLY 153 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gs3 s LYS 154 N -1.04 3.88 0.39 1.61 1.02 -1.12 -4.46 119.74 120.01 2gs3 s LYS 154 Ca 0.22 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.55 2gs3 s LYS 154 Cb 0.13 -2.13 0.08 0.00 -0.52 0.00 0.00 37.83 35.39 2gs3 s LYS 154 CO 0.18 -0.36 0.53 0.41 -0.92 0.00 0.00 175.35 175.19 2gs3 n GLY 155 N -0.28 0.81 0.05 -3.33 0.00 -1.18 -4.93 105.19 96.33 2gs3 n GLY 155 Ca 0.09 -2.01 -0.00 0.00 0.00 0.00 0.00 46.02 44.09 2gs3 n GLY 155 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2gs3 h ILE 156 N -0.46 0.00 -3.47 -0.61 2.04 -1.95 -3.41 117.51 109.66 2gs3 h ILE 156 Ca -0.18 -0.99 -0.71 0.00 1.00 0.00 0.00 64.86 63.99 2gs3 h ILE 156 Cb 0.66 0.00 -0.33 0.00 -0.74 0.00 0.00 36.82 36.41 2gs3 h ILE 156 CO 0.19 0.00 -0.44 -0.76 0.00 0.00 0.00 178.15 177.14 2gs3 s LEU 157 N -8.49 5.41 0.00 1.44 1.43 -1.26 -4.99 118.68 112.22 2gs3 s LEU 157 Ca -0.01 -2.24 0.00 0.00 -1.03 0.00 0.00 54.13 50.85 2gs3 s LEU 157 Cb 0.00 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.33 2gs3 s LEU 157 CO 0.01 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.67 2gs3 n GLY 158 N 4.36 -1.83 0.33 -3.19 0.00 -1.26 -4.66 105.19 98.94 2gs3 n GLY 158 Ca -0.00 -1.26 0.06 0.00 0.00 0.00 0.00 46.02 44.81 2gs3 n GLY 158 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2gs3 n ASN 159 N -2.49 1.53 -4.66 1.61 3.02 -1.26 -3.11 115.26 109.91 2gs3 n ASN 159 Ca 0.00 -1.27 -0.40 0.00 -0.03 0.00 0.00 54.58 52.89 2gs3 n ASN 159 Cb 0.27 0.31 0.03 0.00 -0.61 0.00 0.00 39.78 39.79 2gs3 n ASN 159 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gs3 n ALA 160 N 0.07 0.74 -2.06 5.41 0.00 -1.26 -4.59 120.51 118.82 2gs3 n ALA 160 Ca 0.05 0.15 -0.42 0.00 0.00 0.00 0.00 53.44 53.23 2gs3 n ALA 160 Cb 0.26 -2.19 -0.03 0.00 0.00 0.00 0.00 19.45 17.49 2gs3 n ALA 160 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2gs3 s ILE 161 N -1.33 3.13 -0.00 0.00 -1.09 -1.26 -4.92 121.20 115.73 2gs3 s ILE 161 Ca 0.68 0.73 0.05 0.00 -2.23 0.00 0.00 60.65 59.88 2gs3 s ILE 161 Cb -0.48 -3.47 -0.24 0.00 -1.58 0.00 0.00 42.46 36.69 2gs3 s ILE 161 CO 0.53 0.03 0.82 0.11 -1.23 0.00 0.00 174.94 175.20 2gs3 h LYS 162 N 7.33 0.10 -2.86 2.79 1.79 -2.00 -3.49 116.57 120.23 2gs3 h LYS 162 Ca -0.42 -0.16 0.03 0.00 -2.18 0.00 0.00 60.65 57.92 2gs3 h LYS 162 Cb 1.20 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2gs3 h LYS 162 CO 0.90 0.84 0.38 -0.46 -1.08 0.00 0.00 179.45 180.03 2gs3 s TRP 163 N -2.62 0.14 0.60 -1.35 -0.11 -1.26 -5.08 118.94 109.25 2gs3 s TRP 163 Ca -0.06 -0.75 -0.19 0.00 1.22 0.00 0.00 56.10 56.32 2gs3 s TRP 163 Cb 0.08 0.81 -0.05 0.00 -1.50 0.00 0.00 33.47 32.81 2gs3 s TRP 163 CO 0.83 -1.39 0.99 0.09 -4.62 0.00 0.00 176.95 172.85 2gs3 n ASN 164 N -1.46 0.90 -2.83 5.86 3.02 -1.26 -3.83 115.26 115.65 2gs3 n ASN 164 Ca -0.07 0.82 -0.17 0.00 -0.03 0.00 0.00 54.58 55.14 2gs3 n ASN 164 Cb 0.60 -1.40 0.06 0.00 -0.61 0.00 0.00 39.78 38.43 2gs3 n ASN 164 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2gs3 n PHE 165 N -1.68 -2.03 -2.70 3.10 3.72 0.13 -4.57 117.46 113.43 2gs3 n PHE 165 Ca 0.14 0.75 -0.37 0.00 -0.05 0.00 0.00 57.45 57.92 2gs3 n PHE 165 Cb 0.47 -4.13 -0.06 0.00 -0.94 0.00 0.00 39.48 34.82 2gs3 n PHE 165 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 2gs3 s THR 166 N -3.25 4.05 -0.07 4.37 2.01 -1.25 -3.95 115.64 117.56 2gs3 s THR 166 Ca 0.31 1.65 0.03 0.00 0.31 0.00 0.00 61.69 64.00 2gs3 s THR 166 Cb -0.14 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.48 2gs3 s THR 166 CO 0.55 0.09 -0.14 -0.54 -0.69 0.00 0.00 174.62 173.89 2gs3 s LYS 167 N -2.20 1.87 -0.11 4.92 1.02 -0.05 -2.94 119.74 122.25 2gs3 s LYS 167 Ca 0.53 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 56.01 2gs3 s LYS 167 Cb -0.20 -1.53 -0.02 0.00 -0.52 0.00 0.00 37.83 35.56 2gs3 s LYS 167 CO 0.25 0.08 -0.10 -0.06 -0.92 0.00 0.00 175.35 174.60 2gs3 s PHE 168 N 0.51 2.87 -0.18 3.18 0.08 0.25 -0.08 117.98 124.62 2gs3 s PHE 168 Ca -0.13 -0.35 -0.15 0.00 0.12 0.00 0.00 56.93 56.42 2gs3 s PHE 168 Cb -0.15 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.44 2gs3 s PHE 168 CO 0.04 0.01 0.33 -1.17 -0.10 0.00 0.00 175.22 174.33 2gs3 s LEU 169 N -0.06 4.20 -0.08 -0.37 2.96 -0.17 -0.45 118.68 124.71 2gs3 s LEU 169 Ca -0.01 0.50 0.04 0.00 -0.22 0.00 0.00 54.13 54.44 2gs3 s LEU 169 Cb -0.14 -2.42 -0.00 0.00 0.50 0.00 0.00 46.19 44.13 2gs3 s LEU 169 CO 0.03 0.03 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.23 2gs3 s ILE 170 N 0.83 1.97 0.91 6.68 -1.09 0.22 -0.46 121.20 130.25 2gs3 s ILE 170 Ca 0.17 -0.98 -0.11 0.00 -2.23 0.00 0.00 60.65 57.51 2gs3 s ILE 170 Cb -0.14 -1.69 0.20 0.00 -1.58 0.00 0.00 42.46 39.25 2gs3 s ILE 170 CO 0.06 0.54 1.24 -0.90 -1.23 0.00 0.00 174.94 174.65 2gs3 n ASP 171 N 3.38 0.58 0.30 3.58 5.68 -0.53 -1.06 116.55 128.48 2gs3 n ASP 171 Ca -0.19 -1.74 0.19 0.00 -0.50 0.00 0.00 54.79 52.54 2gs3 n ASP 171 Cb 0.53 -0.90 0.88 0.00 -1.14 0.00 0.00 41.12 40.49 2gs3 n ASP 171 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2gs3 h LYS 172 N 0.00 0.00 -0.16 0.11 1.57 -1.82 -0.85 116.57 115.42 2gs3 h LYS 172 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 2gs3 h LYS 172 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2gs3 h LYS 172 CO 0.33 0.02 0.00 0.09 -0.57 0.00 0.00 179.45 179.32 2gs3 n ASN 173 N -3.17 1.74 0.00 0.86 3.02 -1.26 -1.67 115.26 114.77 2gs3 n ASN 173 Ca -0.01 -1.70 0.00 0.00 -0.03 0.00 0.00 54.58 52.84 2gs3 n ASN 173 Cb 0.22 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2gs3 n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gs3 n GLY 174 N 1.15 0.49 3.83 7.41 0.00 -0.32 -4.71 105.19 113.04 2gs3 n GLY 174 Ca 0.17 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 2gs3 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gs3 s VAL 176 N -1.62 4.07 -0.02 0.00 1.01 -1.26 -1.46 120.40 121.12 2gs3 s VAL 176 Ca 0.44 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.88 2gs3 s VAL 176 Cb -0.15 -3.89 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 2gs3 s VAL 176 CO 0.20 -0.04 0.17 1.33 0.00 0.00 0.00 175.10 176.75 2gs3 n VAL 177 N 4.87 0.04 -3.50 2.92 0.24 0.39 -4.52 118.33 118.77 2gs3 n VAL 177 Ca 0.13 -0.19 -0.16 0.00 -2.04 0.00 0.00 64.34 62.08 2gs3 n VAL 177 Cb 0.45 0.24 -0.05 0.00 -1.47 0.00 0.00 33.84 33.01 2gs3 n VAL 177 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2gs3 s LYS 178 N -2.53 1.07 -0.04 7.34 2.20 -1.15 -4.89 119.74 121.73 2gs3 s LYS 178 Ca -0.03 0.09 0.06 0.00 -0.36 0.00 0.00 55.97 55.72 2gs3 s LYS 178 Cb 0.05 0.50 -0.01 0.00 -1.51 0.00 0.00 37.83 36.86 2gs3 s LYS 178 CO 0.33 -0.37 -0.22 0.50 -0.36 0.00 0.00 175.35 175.24 2gs3 s ARG 179 N -1.77 2.12 -0.10 4.03 3.52 -1.14 -1.00 118.95 124.61 2gs3 s ARG 179 Ca -0.07 -0.77 0.04 0.00 -0.13 0.00 0.00 55.73 54.79 2gs3 s ARG 179 Cb -0.00 -1.85 0.00 0.00 -1.56 0.00 0.00 34.95 31.54 2gs3 s ARG 179 CO 0.04 0.35 -0.23 0.71 -0.81 0.00 0.00 175.30 175.35 2gs3 s TYR 180 N -0.16 2.54 0.96 5.12 2.02 0.88 -5.00 117.35 123.71 2gs3 s TYR 180 Ca -0.01 -1.06 -0.16 0.00 -0.37 0.00 0.00 57.07 55.46 2gs3 s TYR 180 Cb -0.12 -1.70 0.19 0.00 -0.40 0.00 0.00 41.96 39.93 2gs3 s TYR 180 CO 0.02 -0.43 1.31 0.20 -1.57 0.00 0.00 175.55 175.07 2gs3 s GLY 181 N 0.39 1.76 0.57 0.71 0.00 -1.26 -0.87 107.32 108.62 2gs3 s GLY 181 Ca -0.18 -1.15 0.38 0.00 0.00 0.00 0.00 44.72 43.77 2gs3 s GLY 181 CO 0.08 -0.40 2.17 -2.55 0.00 0.00 0.00 173.10 172.40 2gs3 h PRO 182 N -1.64 0.00 -0.01 2.90 0.11 -1.81 -1.26 132.00 130.30 2gs3 h PRO 182 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2gs3 h PRO 182 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 2gs3 h PRO 182 CO 0.40 0.00 -0.10 -1.33 -0.21 0.00 0.00 178.00 176.76 2gs3 n MET 183 N -2.87 1.06 -3.59 1.05 2.81 -1.26 -4.69 117.12 109.63 2gs3 n MET 183 Ca -0.02 -0.49 -0.40 0.00 -1.81 0.00 0.00 57.70 54.98 2gs3 n MET 183 Cb 0.08 -1.49 -0.11 0.00 -0.71 0.00 0.00 33.22 30.99 2gs3 n MET 183 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2gs3 s GLU 184 N -2.28 3.15 0.56 0.03 2.02 -0.48 -5.08 118.70 116.62 2gs3 s GLU 184 Ca 0.33 -0.87 -0.19 0.00 0.02 0.00 0.00 54.97 54.26 2gs3 s GLU 184 Cb 0.20 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.67 2gs3 s GLU 184 CO 0.43 -0.56 1.17 -1.83 0.02 0.00 0.00 175.26 174.49 2gs3 s GLU 185 N 1.62 3.23 0.50 1.61 -1.05 -1.26 -4.82 118.70 118.52 2gs3 s GLU 185 Ca 0.04 1.72 0.24 0.00 -0.15 0.00 0.00 54.97 56.82 2gs3 s GLU 185 Cb -0.18 -2.01 1.31 0.00 -0.44 0.00 0.00 34.13 32.82 2gs3 s GLU 185 CO 0.08 -0.97 1.92 -1.35 0.95 0.00 0.00 175.26 175.89 2gs3 h PRO 186 N 1.14 0.14 0.00 -4.83 0.11 -1.90 -0.90 132.00 125.76 2gs3 h PRO 186 Ca -0.50 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2gs3 h PRO 186 Cb 1.28 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2gs3 h PRO 186 CO 0.56 0.09 -0.04 -0.07 -0.21 0.00 0.00 178.00 178.34 2gs3 h LEU 187 N 0.14 0.00 -2.08 2.35 3.38 -1.91 -0.94 115.31 116.25 2gs3 h LEU 187 Ca 0.37 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.43 2gs3 h LEU 187 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 2gs3 h LEU 187 CO -0.05 0.04 0.27 0.58 0.09 0.00 0.00 178.44 179.36 2gs3 h VAL 188 N 0.00 0.64 0.00 1.22 2.07 -1.52 -1.84 116.25 116.82 2gs3 h VAL 188 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 2gs3 h VAL 188 Cb 0.21 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2gs3 h VAL 188 CO 0.00 0.00 -0.43 0.40 0.02 0.00 0.00 177.57 177.56 2gs3 h ILE 189 N 0.00 0.89 -0.88 4.57 2.04 -1.34 -3.35 117.51 119.44 2gs3 h ILE 189 Ca 0.15 -1.80 0.13 0.00 1.00 0.00 0.00 64.86 64.34 2gs3 h ILE 189 Cb 0.69 2.12 -0.09 0.00 -0.74 0.00 0.00 36.82 38.80 2gs3 h ILE 189 CO -0.00 0.42 0.49 -0.08 0.00 0.00 0.00 178.15 178.99 2gs3 h GLU 190 N 0.00 0.72 0.00 2.37 4.81 -1.45 -0.33 114.58 120.70 2gs3 h GLU 190 Ca -0.00 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 2gs3 h GLU 190 Cb 1.09 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 2gs3 h GLU 190 CO 0.06 0.48 -0.02 1.57 -0.73 0.00 0.00 179.01 180.36 2gs3 h LYS 191 N 0.74 0.00 0.00 1.92 2.10 -1.77 -2.86 116.57 116.71 2gs3 h LYS 191 Ca 0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.11 2gs3 h LYS 191 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 2gs3 h LYS 191 CO -0.31 0.02 -0.97 -0.44 -2.00 0.00 0.00 179.45 175.75 2gs3 h ASP 192 N 0.00 0.00 -0.45 7.07 3.32 -1.30 -3.40 116.42 121.66 2gs3 h ASP 192 Ca -0.00 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2gs3 h ASP 192 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 2gs3 h ASP 192 CO 0.00 0.01 0.21 -0.07 -1.72 0.00 0.00 179.24 177.67 2gs3 h LEU 193 N 0.00 0.59 -2.01 1.55 3.38 -1.41 -3.06 115.31 114.36 2gs3 h LEU 193 Ca 0.00 -0.14 0.16 0.00 0.09 0.00 0.00 57.88 57.99 2gs3 h LEU 193 Cb 0.98 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 2gs3 h LEU 193 CO 0.00 0.56 0.41 -0.65 0.09 0.00 0.00 178.44 178.85 2gs3 h PRO 194 N 0.59 0.00 0.00 1.13 0.11 -1.77 -0.10 132.00 131.95 2gs3 h PRO 194 Ca 0.15 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 2gs3 h PRO 194 Cb 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 2gs3 h PRO 194 CO -0.02 0.00 -0.28 1.25 -0.21 0.00 0.00 178.00 178.75 2gs3 h HIS 195 N 0.00 0.00 0.00 0.65 2.76 -1.84 -3.19 115.15 113.53 2gs3 h HIS 195 Ca 0.25 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2gs3 h HIS 195 Cb 1.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.03 2gs3 h HIS 195 CO 0.00 0.28 -1.42 0.66 -1.30 0.00 0.00 177.93 176.14 2gs3 n TYR 196 N -4.00 0.00 0.00 5.26 4.01 -0.09 -5.16 117.16 117.18 2gs3 n TYR 196 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2gs3 n TYR 196 Cb 0.34 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.16 2gs3 n TYR 196 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59