#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ga1 n GLN 3 N 0.00 0.83 -1.67 0.00 7.27 -1.26 -5.09 117.38 117.46 3ga1 n GLN 3 Ca 0.00 0.00 -0.47 0.00 0.07 0.00 0.00 57.00 56.60 3ga1 n GLN 3 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 3ga1 n GLN 3 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 3ga1 n THR 4 N 0.00 0.26 -3.15 1.69 -1.04 -1.26 -4.97 114.28 105.81 3ga1 n THR 4 Ca 0.00 -0.05 -0.34 0.00 -2.04 0.00 0.00 64.05 61.62 3ga1 n THR 4 Cb 0.00 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 66.76 3ga1 n THR 4 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3ga1 s LEU 5 N 2.31 4.20 -0.00 -4.42 1.43 -1.26 -4.97 118.68 115.97 3ga1 s LEU 5 Ca 0.85 1.30 0.16 0.00 -1.03 0.00 0.00 54.13 55.41 3ga1 s LEU 5 Cb -0.68 -3.81 -0.18 0.00 0.03 0.00 0.00 46.19 41.54 3ga1 s LEU 5 CO 0.44 -0.08 0.66 0.00 0.23 0.00 0.00 176.35 177.59 3ga1 n GLN 6 N 0.16 1.53 -3.50 1.70 10.64 -1.26 -4.99 117.38 121.66 3ga1 n GLN 6 Ca 0.00 -0.01 -0.15 0.00 -1.83 0.00 0.00 57.00 55.01 3ga1 n GLN 6 Cb 0.52 -1.28 -0.05 0.00 -0.86 0.00 0.00 30.24 28.58 3ga1 n GLN 6 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3ga1 s MET 7 N -2.59 1.03 -0.21 2.61 0.23 -1.26 -5.14 119.30 113.97 3ga1 s MET 7 Ca 0.05 0.03 -0.04 0.00 -1.03 0.00 0.00 55.69 54.70 3ga1 s MET 7 Cb 0.12 0.48 0.10 0.00 -1.53 0.00 0.00 34.83 34.01 3ga1 s MET 7 CO 0.67 -0.37 0.31 -2.00 -2.03 0.00 0.00 175.02 171.60 3ga1 s GLU 8 N -1.93 0.26 -0.25 3.16 2.12 -1.26 -5.12 118.70 115.68 3ga1 s GLU 8 Ca -0.06 0.51 -0.22 0.00 0.36 0.00 0.00 54.97 55.56 3ga1 s GLU 8 Cb -0.00 -0.56 -0.01 0.00 0.26 0.00 0.00 34.13 33.81 3ga1 s GLU 8 CO 0.02 -0.55 0.72 0.42 -0.54 0.00 0.00 175.26 175.33 3ga1 s ILE 9 N 2.46 4.92 0.52 -3.70 1.01 -1.26 -5.03 121.20 120.12 3ga1 s ILE 9 Ca 0.07 1.33 -0.21 0.00 0.00 0.00 0.00 60.65 61.84 3ga1 s ILE 9 Cb -0.15 -4.02 -0.06 0.00 0.01 0.00 0.00 42.46 38.25 3ga1 s ILE 9 CO -0.13 -0.01 1.21 -2.16 0.00 0.00 0.00 174.94 173.85 3ga1 s PRO 10 N 2.64 3.39 -1.42 2.79 0.04 -1.26 -3.30 135.00 137.88 3ga1 s PRO 10 Ca 0.30 1.86 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 3ga1 s PRO 10 Cb -0.15 -2.21 0.05 0.00 0.04 0.00 0.00 34.50 32.23 3ga1 s PRO 10 CO 0.08 -0.88 0.62 0.09 0.04 0.00 0.00 177.00 176.95 3ga1 n ASN 11 N -0.97 -4.81 -0.02 6.66 3.02 -1.26 -4.86 115.26 113.03 3ga1 n ASN 11 Ca 0.10 -0.41 -0.11 0.00 -0.03 0.00 0.00 54.58 54.14 3ga1 n ASN 11 Cb 0.48 -3.91 -0.05 0.00 -0.61 0.00 0.00 39.78 35.69 3ga1 n ASN 11 CO 0.00 0.00 0.00 0.15 -2.62 0.00 0.00 177.26 174.79 3ga1 h PHE 12 N -1.32 0.17 -0.93 3.10 3.57 -1.99 -3.08 116.94 116.46 3ga1 h PHE 12 Ca -0.49 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.07 3ga1 h PHE 12 Cb 1.33 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 39.95 3ga1 h PHE 12 CO 0.60 0.12 0.60 0.78 -2.23 0.00 0.00 178.31 178.18 3ga1 h GLY 13 N 0.16 1.41 0.50 2.40 0.00 -1.90 -0.78 103.07 104.87 3ga1 h GLY 13 Ca 0.05 -0.44 0.10 0.00 0.00 0.00 0.00 47.33 47.04 3ga1 h GLY 13 CO -0.01 0.32 0.50 3.43 0.00 0.00 0.00 176.54 180.78 3ga1 h ASN 14 N 1.10 0.71 0.52 0.19 2.35 -1.93 -0.08 115.58 118.44 3ga1 h ASN 14 Ca 0.40 0.05 -0.26 0.00 -0.55 0.00 0.00 56.30 55.94 3ga1 h ASN 14 Cb 0.13 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.42 3ga1 h ASN 14 CO -0.16 0.40 -1.16 0.77 -1.65 0.00 0.00 177.43 175.63 3ga1 h SER 15 N 0.82 0.48 -0.22 5.81 4.64 -1.27 -3.02 113.55 120.79 3ga1 h SER 15 Ca 0.42 -0.47 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 3ga1 h SER 15 Cb 0.39 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3ga1 h SER 15 CO -0.25 1.33 -0.23 0.40 -0.87 0.00 0.00 176.83 177.21 3ga1 h ILE 16 N 0.13 1.32 -0.79 0.95 1.08 -0.80 -2.44 117.51 116.96 3ga1 h ILE 16 Ca -0.12 -1.40 0.04 0.00 -0.39 0.00 0.00 64.86 62.99 3ga1 h ILE 16 Cb 1.85 1.72 -0.05 0.00 -3.07 0.00 0.00 36.82 37.28 3ga1 h ILE 16 CO 0.19 0.43 0.52 0.25 -0.69 0.00 0.00 178.15 178.86 3ga1 h LEU 17 N 0.24 0.83 -1.04 1.44 5.85 -1.13 0.13 115.31 121.63 3ga1 h LEU 17 Ca 0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.75 3ga1 h LEU 17 Cb 0.78 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.58 3ga1 h LEU 17 CO 0.06 0.56 0.62 -0.08 -0.34 0.00 0.00 178.44 179.26 3ga1 h GLU 18 N 0.96 1.27 -0.16 1.25 4.81 -1.33 0.21 114.58 121.59 3ga1 h GLU 18 Ca 0.32 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3ga1 h GLU 18 Cb 0.07 -0.28 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 3ga1 h GLU 18 CO -0.09 0.85 0.10 0.00 -0.73 0.00 0.00 179.01 179.13 3ga1 h LEU 20 N 0.20 1.03 -0.46 0.00 3.38 -0.22 -0.17 115.31 119.07 3ga1 h LEU 20 Ca 0.06 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3ga1 h LEU 20 Cb -0.01 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 3ga1 h LEU 20 CO -0.02 0.82 0.15 -1.13 0.09 0.00 0.00 178.44 178.35 3ga1 h ASN 21 N 1.16 0.67 -0.68 -0.43 -1.24 -0.69 -1.74 115.58 112.63 3ga1 h ASN 21 Ca 0.29 -0.20 -0.03 0.00 0.71 0.00 0.00 56.30 57.07 3ga1 h ASN 21 Cb 0.01 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.86 3ga1 h ASN 21 CO -0.05 0.69 0.30 -0.33 -1.29 0.00 0.00 177.43 176.75 3ga1 h GLU 22 N 0.61 1.00 -0.09 6.67 5.08 -0.98 -0.96 114.58 125.90 3ga1 h GLU 22 Ca 0.15 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3ga1 h GLU 22 Cb 0.25 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3ga1 h GLU 22 CO -0.01 0.81 -0.03 1.96 -1.00 0.00 0.00 179.01 180.74 3ga1 h GLN 23 N 0.96 -0.02 -0.30 2.33 4.20 -0.85 -2.17 115.11 119.26 3ga1 h GLN 23 Ca 0.23 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.99 3ga1 h GLN 23 Cb 0.17 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 3ga1 h GLN 23 CO -0.02 -0.01 -0.00 -0.09 -0.67 0.00 0.00 178.83 178.03 3ga1 h ARG 24 N -0.02 0.08 0.00 1.46 2.43 -1.01 0.14 114.38 117.46 3ga1 h ARG 24 Ca 0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3ga1 h ARG 24 Cb 0.09 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3ga1 h ARG 24 CO -0.11 0.06 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.33 3ga1 h LEU 25 N 0.09 0.00 -2.33 3.80 3.38 -0.85 0.22 115.31 119.62 3ga1 h LEU 25 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3ga1 h LEU 25 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3ga1 h LEU 25 CO -0.24 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.29 3ga1 n GLN 26 N -3.59 2.49 -2.33 1.13 6.02 -0.48 -4.98 117.38 115.64 3ga1 n GLN 26 Ca -0.03 -2.27 -0.12 0.00 -0.01 0.00 0.00 57.00 54.57 3ga1 n GLN 26 Cb 0.09 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.84 3ga1 n GLN 26 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3ga1 n GLY 27 N 1.47 -0.08 3.70 1.08 0.00 0.78 -5.03 105.19 107.11 3ga1 n GLY 27 Ca 0.19 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 3ga1 n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ga1 s LEU 28 N -3.50 3.88 -2.04 0.99 1.43 0.36 -4.51 118.68 115.29 3ga1 s LEU 28 Ca 0.04 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3ga1 s LEU 28 Cb -0.02 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.25 3ga1 s LEU 28 CO 0.05 0.27 0.00 -1.22 0.23 0.00 0.00 176.35 175.68 3ga1 n TYR 29 N 2.87 0.00 -2.85 0.29 4.01 -1.26 -4.34 117.16 115.88 3ga1 n TYR 29 Ca -0.18 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.21 3ga1 n TYR 29 Cb 0.53 -3.29 -0.07 0.00 -0.31 0.00 0.00 39.34 36.21 3ga1 n TYR 29 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3ga1 n ASP 31 N 0.08 1.31 -3.76 0.00 5.75 -0.77 -4.95 116.55 114.22 3ga1 n ASP 31 Ca 0.03 -1.58 -0.13 0.00 -0.01 0.00 0.00 54.79 53.11 3ga1 n ASP 31 Cb 0.52 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.52 3ga1 n ASP 31 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3ga1 s VAL 32 N -0.58 0.06 -0.20 2.12 0.11 -1.12 -4.76 120.40 116.03 3ga1 s VAL 32 Ca 0.00 -0.47 0.02 0.00 -2.93 0.00 0.00 61.98 58.60 3ga1 s VAL 32 Cb 0.00 -0.60 0.03 0.00 -1.53 0.00 0.00 36.38 34.28 3ga1 s VAL 32 CO 0.00 -0.26 -0.17 -0.55 -3.33 0.00 0.00 175.10 170.79 3ga1 s SER 33 N -1.29 3.50 -0.27 3.54 0.15 0.93 -1.66 113.70 118.61 3ga1 s SER 33 Ca -0.13 -0.86 -0.10 0.00 0.70 0.00 0.00 55.95 55.57 3ga1 s SER 33 Cb -0.05 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.72 3ga1 s SER 33 CO 0.04 -0.05 0.14 -0.69 1.20 0.00 0.00 173.24 173.88 3ga1 s VAL 34 N 1.24 4.91 -0.18 4.45 1.01 0.76 -0.75 120.40 131.83 3ga1 s VAL 34 Ca 0.01 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.96 3ga1 s VAL 34 Cb -0.15 -3.33 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3ga1 s VAL 34 CO -0.11 0.28 0.03 -0.69 0.00 0.00 0.00 175.10 174.62 3ga1 s VAL 35 N 1.70 4.45 -0.20 2.92 1.01 0.16 -0.75 120.40 129.69 3ga1 s VAL 35 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.87 3ga1 s VAL 35 Cb -0.16 -3.00 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3ga1 s VAL 35 CO 0.08 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.97 3ga1 s VAL 36 N 0.52 0.62 -1.42 2.92 1.01 0.10 -1.47 120.40 122.68 3ga1 s VAL 36 Ca 0.01 -0.64 -0.04 0.00 0.00 0.00 0.00 61.98 61.32 3ga1 s VAL 36 Cb -0.13 -1.11 0.03 0.00 0.00 0.00 0.00 36.38 35.16 3ga1 s VAL 36 CO 0.02 -0.21 0.61 0.29 0.00 0.00 0.00 175.10 175.80 3ga1 n LYS 37 N 5.01 -4.04 -0.93 2.72 5.02 -1.26 -1.50 118.16 123.18 3ga1 n LYS 37 Ca -0.09 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.69 3ga1 n LYS 37 Cb 0.47 -4.90 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 3ga1 n LYS 37 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3ga1 n GLY 38 N -1.77 0.53 3.46 0.72 0.00 -1.26 -4.99 105.19 101.87 3ga1 n GLY 38 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 3ga1 n GLY 38 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ga1 s HIS 39 N -2.40 3.08 -0.14 1.61 3.76 -0.56 -5.09 115.29 115.55 3ga1 s HIS 39 Ca 0.00 -0.41 -0.09 0.00 -0.15 0.00 0.00 55.06 54.41 3ga1 s HIS 39 Cb 0.00 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.47 3ga1 s HIS 39 CO 0.00 -0.29 0.17 0.00 -0.85 0.00 0.00 174.74 173.78 3ga1 s ALA 40 N 1.32 3.78 -0.12 -1.40 0.00 -1.26 -0.72 121.76 123.36 3ga1 s ALA 40 Ca 0.05 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.41 3ga1 s ALA 40 Cb -0.15 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.89 3ga1 s ALA 40 CO 0.03 0.43 -0.12 -0.06 0.00 0.00 0.00 175.76 176.04 3ga1 s PHE 41 N -0.50 1.81 0.36 0.00 0.08 0.07 -4.94 117.98 114.86 3ga1 s PHE 41 Ca 0.14 -0.92 -0.25 0.00 0.12 0.00 0.00 56.93 56.02 3ga1 s PHE 41 Cb -0.12 -1.38 -0.10 0.00 -0.57 0.00 0.00 43.02 40.85 3ga1 s PHE 41 CO 0.03 -0.53 0.98 0.15 -0.10 0.00 0.00 175.22 175.75 3ga1 s LYS 42 N 1.38 4.42 0.34 0.44 1.02 -1.26 -0.17 119.74 125.91 3ga1 s LYS 42 Ca 0.01 1.38 -0.18 0.00 0.02 0.00 0.00 55.97 57.20 3ga1 s LYS 42 Cb -0.13 -2.67 0.04 0.00 -0.52 0.00 0.00 37.83 34.55 3ga1 s LYS 42 CO -0.06 0.12 0.78 0.00 -0.92 0.00 0.00 175.35 175.26 3ga1 s ALA 43 N -1.67 -0.94 -0.21 5.17 0.00 -0.66 -4.92 121.76 118.52 3ga1 s ALA 43 Ca 0.53 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.87 3ga1 s ALA 43 Cb -0.19 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.64 3ga1 s ALA 43 CO 0.24 -1.01 -0.02 -1.01 0.00 0.00 0.00 175.76 173.96 3ga1 s HIS 44 N -2.84 2.99 0.31 0.00 3.76 -1.26 -1.84 115.29 116.41 3ga1 s HIS 44 Ca 0.14 -0.69 0.06 0.00 -0.15 0.00 0.00 55.06 54.43 3ga1 s HIS 44 Cb -0.05 -2.09 0.74 0.00 1.11 0.00 0.00 32.58 32.29 3ga1 s HIS 44 CO 0.10 -0.39 1.80 0.00 -0.85 0.00 0.00 174.74 175.40 3ga1 h ARG 45 N 7.77 0.76 -0.79 1.40 3.08 -1.92 -1.17 114.38 123.50 3ga1 h ARG 45 Ca -0.38 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.63 3ga1 h ARG 45 Cb 1.17 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 31.01 3ga1 h ARG 45 CO 0.60 0.50 0.50 0.00 -1.07 0.00 0.00 179.97 180.50 3ga1 h ALA 46 N 1.61 1.01 -0.32 0.04 0.00 -1.98 0.98 119.26 120.61 3ga1 h ALA 46 Ca 0.54 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 55.20 3ga1 h ALA 46 Cb 0.83 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3ga1 h ALA 46 CO -0.32 0.45 -0.50 0.28 0.00 0.00 0.00 179.25 179.16 3ga1 h VAL 47 N 1.08 1.27 -0.08 0.00 2.07 -1.63 -2.48 116.25 116.49 3ga1 h VAL 47 Ca 0.29 -1.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.12 3ga1 h VAL 47 Cb -0.08 1.56 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3ga1 h VAL 47 CO -0.06 0.55 0.03 -0.07 0.02 0.00 0.00 177.57 178.05 3ga1 h LEU 48 N 0.69 0.11 -2.04 2.57 3.38 -1.05 -3.06 115.31 115.92 3ga1 h LEU 48 Ca 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3ga1 h LEU 48 Cb 1.10 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ga1 h LEU 48 CO 0.11 0.22 -0.09 0.00 0.09 0.00 0.00 178.44 178.77 3ga1 h ALA 49 N 0.89 1.42 0.00 1.53 0.00 -0.82 -0.09 119.26 122.20 3ga1 h ALA 49 Ca 0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3ga1 h ALA 49 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3ga1 h ALA 49 CO -0.00 0.12 -0.23 0.00 0.00 0.00 0.00 179.25 179.13 3ga1 h ALA 50 N 1.91 1.05 0.00 0.00 0.00 -1.33 -3.30 119.26 117.58 3ga1 h ALA 50 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3ga1 h ALA 50 Cb 0.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3ga1 h ALA 50 CO 0.01 0.29 -0.73 0.43 0.00 0.00 0.00 179.25 179.25 3ga1 n SER 51 N -3.43 1.90 -3.85 0.00 7.64 -0.81 -4.98 113.62 110.09 3ga1 n SER 51 Ca -0.00 -0.33 -0.29 0.00 1.01 0.00 0.00 58.87 59.26 3ga1 n SER 51 Cb 0.42 1.12 -0.16 0.00 -1.01 0.00 0.00 64.21 64.58 3ga1 n SER 51 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3ga1 s SER 52 N -2.05 3.39 0.45 6.43 0.15 -0.11 -3.95 113.70 118.00 3ga1 s SER 52 Ca 0.00 -1.00 0.12 0.00 0.70 0.00 0.00 55.95 55.78 3ga1 s SER 52 Cb 0.04 -0.90 1.00 0.00 -1.71 0.00 0.00 66.02 64.44 3ga1 s SER 52 CO 0.23 -0.27 2.03 -1.28 1.20 0.00 0.00 173.24 175.16 3ga1 h SER 53 N 8.09 0.14 0.04 5.45 0.87 -1.66 -1.39 113.55 125.11 3ga1 h SER 53 Ca -0.17 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.37 3ga1 h SER 53 Cb 1.09 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.02 3ga1 h SER 53 CO 0.38 0.21 -0.02 0.22 -0.53 0.00 0.00 176.83 177.08 3ga1 h TYR 54 N 0.16 -0.05 -0.47 2.24 3.20 -1.79 -2.73 116.97 117.53 3ga1 h TYR 54 Ca 0.04 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.85 3ga1 h TYR 54 Cb 0.17 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3ga1 h TYR 54 CO 0.00 0.16 0.06 0.74 -1.64 0.00 0.00 178.16 177.48 3ga1 h PHE 55 N -0.26 0.84 -0.69 -3.82 0.04 -1.72 -0.81 116.94 110.51 3ga1 h PHE 55 Ca -0.01 -0.12 0.15 0.00 2.80 0.00 0.00 57.97 60.79 3ga1 h PHE 55 Cb 0.24 -0.23 -0.13 0.00 2.20 0.00 0.00 35.95 38.04 3ga1 h PHE 55 CO -0.01 0.79 -0.11 0.00 -0.60 0.00 0.00 178.31 178.39 3ga1 h ARG 56 N 0.65 0.04 -0.40 1.51 3.08 -1.27 -0.21 114.38 117.78 3ga1 h ARG 56 Ca 0.14 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3ga1 h ARG 56 Cb 0.42 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.44 3ga1 h ARG 56 CO 0.01 0.02 0.13 0.22 -1.07 0.00 0.00 179.97 179.29 3ga1 h ASP 57 N 0.04 0.57 -0.10 7.04 3.58 -1.12 -2.90 116.42 123.53 3ga1 h ASP 57 Ca 0.35 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 3ga1 h ASP 57 Cb 0.57 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 3ga1 h ASP 57 CO -0.67 0.62 -0.04 0.25 -2.88 0.00 0.00 179.24 176.51 3ga1 h LEU 58 N 0.49 0.31 0.00 2.28 5.85 -0.06 -2.49 115.31 121.70 3ga1 h LEU 58 Ca 0.13 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3ga1 h LEU 58 Cb 0.24 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.19 3ga1 h LEU 58 CO -0.01 0.40 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.04 3ga1 h PHE 59 N 0.32 0.00 0.00 1.25 0.04 -0.88 -3.20 116.94 114.47 3ga1 h PHE 59 Ca 0.07 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 3ga1 h PHE 59 Cb 0.29 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 3ga1 h PHE 59 CO 0.01 0.00 -1.64 0.09 -0.60 0.00 0.00 178.31 176.16 3ga1 n ASN 60 N -2.57 0.57 -1.54 2.17 4.13 -0.97 -3.76 115.26 113.29 3ga1 n ASN 60 Ca 0.04 0.24 0.03 0.00 1.68 0.00 0.00 54.58 56.58 3ga1 n ASN 60 Cb 0.48 0.65 0.28 0.00 -1.54 0.00 0.00 39.78 39.64 3ga1 n ASN 60 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3ga1 n ASN 61 N -2.74 4.35 -3.66 6.41 5.03 -1.00 -4.94 115.26 118.72 3ga1 n ASN 61 Ca -0.12 -2.71 -0.10 0.00 0.87 0.00 0.00 54.58 52.52 3ga1 n ASN 61 Cb 0.82 -0.64 -0.05 0.00 -1.02 0.00 0.00 39.78 38.89 3ga1 n ASN 61 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 3ga1 s SER 62 N -0.56 -0.20 -0.47 6.41 0.15 -1.21 -5.05 113.70 112.77 3ga1 s SER 62 Ca 0.39 -0.35 0.06 0.00 0.70 0.00 0.00 55.95 56.75 3ga1 s SER 62 Cb 0.30 0.46 0.21 0.00 -1.71 0.00 0.00 66.02 65.29 3ga1 s SER 62 CO 0.11 -0.84 0.49 0.54 1.20 0.00 0.00 173.24 174.74 3ga1 n ARG 63 N -0.20 0.93 -3.67 5.44 5.12 -1.26 -4.88 116.66 118.13 3ga1 n ARG 63 Ca -0.16 -3.56 -0.11 0.00 -1.93 0.00 0.00 57.85 52.09 3ga1 n ARG 63 Cb 0.64 -1.64 -0.09 0.00 -1.16 0.00 0.00 32.46 30.21 3ga1 n ARG 63 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3ga1 s SER 64 N -0.99 -0.67 0.26 0.55 0.15 -1.26 -5.04 113.70 106.70 3ga1 s SER 64 Ca 0.34 1.17 0.25 0.00 0.70 0.00 0.00 55.95 58.41 3ga1 s SER 64 Cb 0.10 1.10 0.88 0.00 -1.71 0.00 0.00 66.02 66.38 3ga1 s SER 64 CO -0.13 -0.21 1.75 0.00 1.20 0.00 0.00 173.24 175.85 3ga1 h ALA 65 N 6.37 1.00 -3.25 5.45 0.00 -1.95 -3.43 119.26 123.45 3ga1 h ALA 65 Ca -0.31 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.93 3ga1 h ALA 65 Cb 1.19 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.67 3ga1 h ALA 65 CO 0.20 0.00 -0.84 0.08 0.00 0.00 0.00 179.25 178.69 3ga1 s VAL 66 N -3.22 2.37 -0.06 0.00 1.01 -1.26 -0.05 120.40 119.19 3ga1 s VAL 66 Ca 0.07 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3ga1 s VAL 66 Cb 0.11 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3ga1 s VAL 66 CO 0.52 0.54 -0.21 0.68 0.00 0.00 0.00 175.10 176.63 3ga1 s VAL 67 N 0.64 2.43 -0.21 2.92 -7.23 0.07 -4.96 120.40 114.06 3ga1 s VAL 67 Ca -0.10 -0.94 -0.05 0.00 -1.81 0.00 0.00 61.98 59.08 3ga1 s VAL 67 Cb -0.16 -1.92 -0.02 0.00 0.56 0.00 0.00 36.38 34.84 3ga1 s VAL 67 CO 0.02 0.57 0.01 -1.61 -0.31 0.00 0.00 175.10 173.79 3ga1 s GLU 68 N -0.32 3.61 0.33 4.82 2.02 -1.26 0.36 118.70 128.26 3ga1 s GLU 68 Ca 0.02 -0.52 -0.15 0.00 0.02 0.00 0.00 54.97 54.34 3ga1 s GLU 68 Cb -0.13 -3.13 -0.09 0.00 0.10 0.00 0.00 34.13 30.88 3ga1 s GLU 68 CO 0.02 -0.04 0.75 -0.51 0.02 0.00 0.00 175.26 175.50 3ga1 s LEU 69 N 1.16 4.07 0.81 1.80 1.43 -0.54 -4.96 118.68 122.44 3ga1 s LEU 69 Ca 0.03 1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 54.30 3ga1 s LEU 69 Cb -0.14 -4.09 0.04 0.00 0.03 0.00 0.00 46.19 42.03 3ga1 s LEU 69 CO 0.02 -0.21 0.91 -2.65 0.23 0.00 0.00 176.35 174.65 3ga1 n PRO 70 N -0.34 0.15 0.29 1.29 -0.02 -1.26 -4.73 135.00 130.38 3ga1 n PRO 70 Ca 0.03 0.12 0.19 0.00 -2.02 0.00 0.00 63.50 61.82 3ga1 n PRO 70 Cb 0.53 -2.20 1.01 0.00 -0.02 0.00 0.00 33.50 32.83 3ga1 n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ga1 h ALA 71 N -0.86 1.03 0.00 3.55 0.00 -1.99 -1.47 119.26 119.53 3ga1 h ALA 71 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3ga1 h ALA 71 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3ga1 h ALA 71 CO 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3ga1 h ALA 72 N 1.92 1.00 -2.77 0.00 0.00 -2.05 -3.42 119.26 113.94 3ga1 h ALA 72 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 54.91 54.30 3ga1 h ALA 72 Cb 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.74 3ga1 h ALA 72 CO 0.00 0.00 -0.16 0.08 0.00 0.00 0.00 179.25 179.17 3ga1 s VAL 73 N -3.54 5.16 0.18 0.00 1.01 -0.55 -5.01 120.40 117.66 3ga1 s VAL 73 Ca 0.02 0.73 -0.05 0.00 0.00 0.00 0.00 61.98 62.69 3ga1 s VAL 73 Cb 0.09 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 3ga1 s VAL 73 CO 0.47 0.20 0.42 -1.10 0.00 0.00 0.00 175.10 175.09 3ga1 s GLN 74 N 1.65 3.62 0.13 2.72 -1.52 -1.26 -4.58 119.66 120.43 3ga1 s GLN 74 Ca 0.19 -0.08 -0.15 0.00 -1.95 0.00 0.00 55.36 53.37 3ga1 s GLN 74 Cb -0.15 -2.80 0.00 0.00 -0.22 0.00 0.00 33.01 29.84 3ga1 s GLN 74 CO 0.09 0.41 1.65 -1.35 -0.25 0.00 0.00 175.29 175.83 3ga1 h PRO 75 N 2.51 0.67 -0.26 2.91 0.11 -1.97 -0.87 132.00 135.10 3ga1 h PRO 75 Ca -0.47 -0.15 -0.11 0.00 0.11 0.00 0.00 66.00 65.39 3ga1 h PRO 75 Cb 1.17 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3ga1 h PRO 75 CO 0.71 0.66 -0.26 1.96 -0.21 0.00 0.00 178.00 180.85 3ga1 h GLN 76 N 0.55 0.63 -0.10 1.05 7.50 -1.96 -0.96 115.11 121.82 3ga1 h GLN 76 Ca 0.14 -0.34 -0.00 0.00 0.50 0.00 0.00 58.65 58.95 3ga1 h GLN 76 Cb 0.28 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 27.81 3ga1 h GLN 76 CO -0.00 0.94 0.06 0.77 -1.50 0.00 0.00 178.83 179.09 3ga1 h SER 77 N 0.35 0.13 -0.43 1.46 0.02 -1.94 -2.21 113.55 110.93 3ga1 h SER 77 Ca 0.04 -0.08 0.08 0.00 -0.84 0.00 0.00 61.79 60.99 3ga1 h SER 77 Cb 0.83 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 63.27 3ga1 h SER 77 CO 0.07 0.18 0.03 0.15 -1.14 0.00 0.00 176.83 176.11 3ga1 h PHE 78 N 0.08 0.03 -1.00 3.45 3.57 -1.06 -1.19 116.94 120.80 3ga1 h PHE 78 Ca 0.04 0.03 0.16 0.00 3.53 0.00 0.00 57.97 61.72 3ga1 h PHE 78 Cb 0.07 0.05 -0.10 0.00 2.79 0.00 0.00 35.95 38.77 3ga1 h PHE 78 CO -0.04 -0.06 0.62 0.37 -2.23 0.00 0.00 178.31 176.96 3ga1 h GLN 79 N 0.14 0.84 -0.49 1.11 4.15 -0.94 0.44 115.11 120.37 3ga1 h GLN 79 Ca 0.21 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.50 3ga1 h GLN 79 Cb 0.30 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 3ga1 h GLN 79 CO -0.33 0.56 -0.03 1.96 -1.93 0.00 0.00 178.83 179.06 3ga1 h GLN 80 N 0.87 0.88 -0.21 1.69 4.20 -0.64 -1.32 115.11 120.58 3ga1 h GLN 80 Ca 0.54 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 3ga1 h GLN 80 Cb 0.71 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 3ga1 h GLN 80 CO -0.33 0.93 0.04 0.82 -0.67 0.00 0.00 178.83 179.62 3ga1 h ILE 81 N 0.73 1.22 -0.03 2.54 1.08 -0.04 -1.67 117.51 121.34 3ga1 h ILE 81 Ca 0.13 -0.72 0.03 0.00 -0.39 0.00 0.00 64.86 63.91 3ga1 h ILE 81 Cb 0.56 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.56 3ga1 h ILE 81 CO 0.03 0.22 -0.15 0.25 -0.69 0.00 0.00 178.15 177.81 3ga1 h LEU 82 N 0.15 -0.45 -0.81 1.44 5.85 -0.12 -0.72 115.31 120.66 3ga1 h LEU 82 Ca 0.07 0.07 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3ga1 h LEU 82 Cb 0.30 0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 3ga1 h LEU 82 CO 0.00 -0.21 0.47 -1.28 -0.34 0.00 0.00 178.44 177.09 3ga1 h SER 83 N -0.23 0.69 -0.93 1.25 0.87 -1.24 -1.09 113.55 112.86 3ga1 h SER 83 Ca 0.06 0.04 0.04 0.00 -1.23 0.00 0.00 61.79 60.70 3ga1 h SER 83 Cb 0.32 -0.10 -0.06 0.00 -0.44 0.00 0.00 62.40 62.13 3ga1 h SER 83 CO -0.17 0.41 0.61 0.15 -0.53 0.00 0.00 176.83 177.29 3ga1 h PHE 84 N 0.81 1.14 0.00 2.24 3.57 -0.41 -1.33 116.94 122.95 3ga1 h PHE 84 Ca 0.38 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 3ga1 h PHE 84 Cb 0.31 -0.38 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3ga1 h PHE 84 CO -0.06 0.65 -0.00 0.00 -2.23 0.00 0.00 178.31 176.67 3ga1 n TYR 86 N -3.09 0.00 0.00 0.00 4.02 -0.57 -4.72 117.16 112.80 3ga1 n TYR 86 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.87 3ga1 n TYR 86 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 3ga1 n TYR 86 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 3ga1 n THR 87 N 0.70 0.00 -1.02 -0.72 -2.24 -0.82 -4.59 114.28 105.59 3ga1 n THR 87 Ca 0.08 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.85 3ga1 n THR 87 Cb 0.34 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.56 3ga1 n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ga1 n GLY 88 N 0.47 0.47 3.35 3.38 0.00 0.13 -5.01 105.19 107.99 3ga1 n GLY 88 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3ga1 n GLY 88 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ga1 s ARG 89 N -0.70 2.33 -0.03 1.61 0.52 -1.26 -5.07 118.95 116.35 3ga1 s ARG 89 Ca 0.00 -0.85 0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3ga1 s ARG 89 Cb 0.00 -2.17 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 3ga1 s ARG 89 CO 0.00 0.54 -0.13 -1.17 0.02 0.00 0.00 175.30 174.56 3ga1 s LEU 90 N -0.55 1.85 0.04 2.53 2.96 -1.26 -3.76 118.68 120.49 3ga1 s LEU 90 Ca 0.08 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3ga1 s LEU 90 Cb -0.11 -0.77 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 3ga1 s LEU 90 CO 0.00 0.11 -0.04 -0.55 -1.32 0.00 0.00 176.35 174.56 3ga1 s SER 91 N 0.11 0.45 0.00 3.68 0.15 -1.26 -5.08 113.70 111.75 3ga1 s SER 91 Ca -0.03 -0.75 0.00 0.00 0.70 0.00 0.00 55.95 55.87 3ga1 s SER 91 Cb -0.10 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 3ga1 s SER 91 CO 0.01 -0.43 0.00 1.15 1.20 0.00 0.00 173.24 175.17 3ga1 n MET 92 N 0.86 0.00 -3.21 5.44 0.00 -1.26 -4.99 117.12 113.96 3ga1 n MET 92 Ca -0.19 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.18 3ga1 n MET 92 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.74 3ga1 n MET 92 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 175.97 175.17 3ga1 s ASN 93 N 0.00 6.81 0.22 3.17 0.01 -1.26 -5.00 114.94 118.89 3ga1 s ASN 93 Ca 0.00 1.22 -0.32 0.00 -0.71 0.00 0.00 52.86 53.05 3ga1 s ASN 93 Cb 0.00 -2.35 -0.13 0.00 0.41 0.00 0.00 41.25 39.19 3ga1 s ASN 93 CO 0.00 -0.10 1.58 0.52 -1.51 0.00 0.00 177.10 177.59 3ga1 n VAL 94 N 0.02 0.44 0.00 1.60 0.31 -1.26 -1.22 118.33 118.23 3ga1 n VAL 94 Ca 0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3ga1 n VAL 94 Cb 0.52 -1.74 0.00 0.00 -0.91 0.00 0.00 33.84 31.72 3ga1 n VAL 94 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3ga1 n GLY 95 N 3.00 2.18 0.09 2.92 0.00 -1.26 -4.91 105.19 107.21 3ga1 n GLY 95 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.17 3ga1 n GLY 95 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ga1 n ASP 96 N 0.00 1.34 0.08 1.61 8.00 -0.35 -4.76 116.55 122.45 3ga1 n ASP 96 Ca 0.00 -1.24 0.01 0.00 0.71 0.00 0.00 54.79 54.28 3ga1 n ASP 96 Cb 0.00 -0.01 0.35 0.00 -0.02 0.00 0.00 41.12 41.44 3ga1 n ASP 96 CO 0.00 0.00 0.00 0.06 -0.39 0.00 0.00 177.20 176.87 3ga1 h GLN 97 N 0.41 0.34 0.05 -1.24 -0.00 -1.91 -2.23 115.11 110.51 3ga1 h GLN 97 Ca 0.00 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.57 3ga1 h GLN 97 Cb 0.16 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 27.60 3ga1 h GLN 97 CO 0.00 0.45 -0.02 -0.44 -0.00 0.00 0.00 178.83 178.82 3ga1 h ASP 98 N 0.32 -0.05 -0.60 0.06 3.32 -1.95 -0.05 116.42 117.47 3ga1 h ASP 98 Ca 0.07 -0.34 0.05 0.00 0.02 0.00 0.00 57.03 56.83 3ga1 h ASP 98 Cb 0.39 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.90 3ga1 h ASP 98 CO 0.02 0.32 0.33 0.25 -1.72 0.00 0.00 179.24 178.44 3ga1 h LEU 99 N -0.43 0.50 -0.41 1.55 5.85 -1.90 -0.16 115.31 120.31 3ga1 h LEU 99 Ca -0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 3ga1 h LEU 99 Cb 0.39 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3ga1 h LEU 99 CO 0.01 0.33 0.23 0.25 -0.34 0.00 0.00 178.44 178.92 3ga1 h LEU 100 N 0.63 0.51 -0.88 2.25 7.12 -1.26 -0.89 115.31 122.79 3ga1 h LEU 100 Ca 0.26 -0.08 -0.05 0.00 0.13 0.00 0.00 57.88 58.14 3ga1 h LEU 100 Cb 0.14 -0.13 -0.03 0.00 -0.53 0.00 0.00 40.66 40.11 3ga1 h LEU 100 CO -0.16 0.45 0.23 0.24 -0.13 0.00 0.00 178.44 179.06 3ga1 h MET 101 N 0.54 1.05 -0.45 1.25 2.86 -0.66 0.28 114.93 119.80 3ga1 h MET 101 Ca 0.15 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3ga1 h MET 101 Cb 0.04 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.52 3ga1 h MET 101 CO -0.02 0.89 0.24 -0.92 1.06 0.00 0.00 176.91 178.15 3ga1 h TYR 102 N 1.01 0.62 -0.46 -0.22 3.20 -0.85 -1.58 116.97 118.69 3ga1 h TYR 102 Ca 0.23 -0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.02 3ga1 h TYR 102 Cb 0.27 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.32 3ga1 h TYR 102 CO 0.02 0.47 0.07 1.15 -1.64 0.00 0.00 178.16 178.23 3ga1 h THR 103 N 0.58 1.25 -0.72 1.81 2.02 -0.67 -0.89 112.91 116.29 3ga1 h THR 103 Ca 0.16 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.44 3ga1 h THR 103 Cb 0.06 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 3ga1 h THR 103 CO -0.02 0.32 0.48 0.00 0.37 0.00 0.00 175.52 176.67 3ga1 h ALA 104 N 0.95 1.54 0.03 6.16 0.00 -0.88 -1.66 119.26 125.41 3ga1 h ALA 104 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 3ga1 h ALA 104 Cb 0.40 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3ga1 h ALA 104 CO 0.01 0.41 -0.02 0.78 0.00 0.00 0.00 179.25 180.43 3ga1 h GLY 105 N 0.92 -0.04 0.25 0.00 0.00 -0.90 -0.18 103.07 103.12 3ga1 h GLY 105 Ca 0.28 0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.72 3ga1 h GLY 105 CO -0.07 -0.02 0.05 -2.75 0.00 0.00 0.00 176.54 173.75 3ga1 h PHE 106 N -0.37 0.06 -0.03 5.60 3.57 -0.88 0.02 116.94 124.91 3ga1 h PHE 106 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3ga1 h PHE 106 Cb 0.35 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3ga1 h PHE 106 CO 0.04 -0.06 0.00 1.28 -2.23 0.00 0.00 178.31 177.33 3ga1 n LEU 107 N -5.17 0.88 -3.68 0.59 4.77 -0.65 -4.82 117.00 108.92 3ga1 n LEU 107 Ca 0.06 -0.32 -0.22 0.00 -0.03 0.00 0.00 56.01 55.50 3ga1 n LEU 107 Cb 0.26 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3ga1 n LEU 107 CO 0.18 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.40 3ga1 n GLN 108 N -0.28 -5.46 -2.68 3.23 6.02 -0.01 -3.32 117.38 114.87 3ga1 n GLN 108 Ca 0.19 0.67 -0.42 0.00 -0.01 0.00 0.00 57.00 57.43 3ga1 n GLN 108 Cb 0.24 -5.38 -0.03 0.00 1.02 0.00 0.00 30.24 26.09 3ga1 n GLN 108 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3ga1 s ILE 109 N -3.55 4.20 -0.18 5.09 -1.09 -0.28 -3.09 121.20 122.30 3ga1 s ILE 109 Ca 0.13 -1.05 0.29 0.00 -2.23 0.00 0.00 60.65 57.79 3ga1 s ILE 109 Cb -0.06 -4.97 0.36 0.00 -1.58 0.00 0.00 42.46 36.21 3ga1 s ILE 109 CO 0.80 -1.79 1.81 -0.61 -1.23 0.00 0.00 174.94 173.91 3ga1 h GLN 110 N 9.46 0.00 0.00 2.79 4.15 -1.87 -2.00 115.11 127.64 3ga1 h GLN 110 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.56 3ga1 h GLN 110 Cb 1.01 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.70 3ga1 h GLN 110 CO 1.32 0.00 -0.21 1.49 -1.93 0.00 0.00 178.83 179.50 3ga1 h GLU 111 N 0.00 0.00 -0.15 1.69 4.81 -1.89 -3.20 114.58 115.84 3ga1 h GLU 111 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3ga1 h GLU 111 Cb 0.72 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 3ga1 h GLU 111 CO 0.00 0.21 -0.21 0.82 -0.73 0.00 0.00 179.01 179.10 3ga1 h ILE 112 N 0.00 1.35 -2.44 2.32 2.04 -1.76 -3.37 117.51 115.66 3ga1 h ILE 112 Ca -0.00 -1.42 -0.68 0.00 1.00 0.00 0.00 64.86 63.76 3ga1 h ILE 112 Cb 0.46 1.92 -0.36 0.00 -0.74 0.00 0.00 36.82 38.09 3ga1 h ILE 112 CO 0.03 0.42 -0.03 0.80 0.00 0.00 0.00 178.15 179.37 3ga1 n MET 113 N -4.48 3.47 -3.90 2.37 1.56 -1.21 -5.00 117.12 109.93 3ga1 n MET 113 Ca -0.06 -4.66 -0.08 0.00 -0.27 0.00 0.00 57.70 52.62 3ga1 n MET 113 Cb 0.41 -2.35 -0.04 0.00 2.15 0.00 0.00 33.22 33.39 3ga1 n MET 113 CO 0.00 0.00 0.00 -1.83 -0.73 0.00 0.00 175.97 173.41 3ga1 s GLU 114 N -2.85 1.63 0.92 2.12 -1.05 -1.26 -5.04 118.70 113.16 3ga1 s GLU 114 Ca 0.38 -1.08 -0.13 0.00 -0.15 0.00 0.00 54.97 53.99 3ga1 s GLU 114 Cb 0.14 0.54 0.04 0.00 -0.44 0.00 0.00 34.13 34.40 3ga1 s GLU 114 CO 0.00 -0.71 0.51 1.63 0.95 0.00 0.00 175.26 177.65 3ga1 n LYS 115 N -0.41 -0.22 0.00 -4.83 4.76 -1.26 -4.73 118.16 111.47 3ga1 n LYS 115 Ca -0.04 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 3ga1 n LYS 115 Cb 0.61 -1.92 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 3ga1 n LYS 115 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3ga1 n GLY 116 N 1.38 -0.31 3.27 0.72 0.00 -1.26 -5.03 105.19 103.95 3ga1 n GLY 116 Ca 0.08 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.74 3ga1 n GLY 116 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ga1 n THR 117 N 0.00 0.00 -3.56 2.61 -2.24 -1.26 -5.04 114.28 104.79 3ga1 n THR 117 Ca 0.00 -0.27 -0.05 0.00 -2.27 0.00 0.00 64.05 61.46 3ga1 n THR 117 Cb 0.00 -0.75 0.02 0.00 -2.10 0.00 0.00 70.33 67.49 3ga1 n THR 117 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 3ga1 n GLU 118 N -3.43 0.68 -2.78 -0.78 0.28 -1.26 -4.90 120.64 108.44 3ga1 n GLU 118 Ca 0.04 -1.35 -0.34 0.00 -0.16 0.00 0.00 57.16 55.35 3ga1 n GLU 118 Cb 0.56 1.70 -0.07 0.00 1.43 0.00 0.00 31.44 35.06 3ga1 n GLU 118 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3ga1 s PHE 119 N -4.36 3.35 0.18 -1.84 0.40 -1.26 -5.09 117.98 109.36 3ga1 s PHE 119 Ca 0.11 1.64 -0.01 0.00 -0.60 0.00 0.00 56.93 58.07 3ga1 s PHE 119 Cb -0.03 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.57 3ga1 s PHE 119 CO 0.07 -0.13 0.12 -0.06 0.70 0.00 0.00 175.22 175.92 3ga1 s PHE 120 N -2.05 1.03 -0.23 0.36 0.40 -1.26 -5.13 117.98 111.09 3ga1 s PHE 120 Ca 0.60 -1.30 -0.26 0.00 -0.60 0.00 0.00 56.93 55.36 3ga1 s PHE 120 Cb -0.12 -0.51 -0.00 0.00 0.51 0.00 0.00 43.02 42.91 3ga1 s PHE 120 CO 0.16 -0.61 0.91 -0.51 0.70 0.00 0.00 175.22 175.87 3ga1 s LEU 121 N -3.12 4.10 0.52 -0.37 1.02 -1.26 -5.04 118.68 114.53 3ga1 s LEU 121 Ca 0.33 1.18 -0.20 0.00 0.02 0.00 0.00 54.13 55.47 3ga1 s LEU 121 Cb 0.07 -3.33 -0.07 0.00 0.02 0.00 0.00 46.19 42.88 3ga1 s LEU 121 CO 0.08 -0.56 1.10 -0.75 0.02 0.00 0.00 176.35 176.24 3ga1 s LYS 122 N 2.90 3.50 0.00 1.70 2.47 -1.26 -5.30 119.74 123.76 3ga1 s LYS 122 Ca 0.39 1.54 0.25 0.00 -1.56 0.00 0.00 55.97 56.59 3ga1 s LYS 122 Cb -0.15 -2.05 0.45 0.00 -1.46 0.00 0.00 37.83 34.62 3ga1 s LYS 122 CO 0.07 -0.71 1.41 0.28 0.16 0.00 0.00 175.35 176.56