#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cg3 h ASN 2 N 0.00 0.85 -3.58 1.61 2.35 -1.89 -3.39 115.58 111.53 1cg3 h ASN 2 Ca 0.00 -0.82 -0.70 0.00 -0.55 0.00 0.00 56.30 54.22 1cg3 h ASN 2 Cb 0.00 -0.27 -0.23 0.00 0.05 0.00 0.00 38.32 37.87 1cg3 h ASN 2 CO 0.00 1.58 -0.50 0.20 -1.65 0.00 0.00 177.43 177.07 1cg3 s ASN 3 N -7.36 5.83 -0.08 5.81 0.02 -1.26 -0.68 114.94 117.21 1cg3 s ASN 3 Ca -0.10 -0.87 0.03 0.00 -1.02 0.00 0.00 52.86 50.89 1cg3 s ASN 3 Cb 0.05 -2.06 -0.02 0.00 0.02 0.00 0.00 41.25 39.24 1cg3 s ASN 3 CO 0.92 -0.37 -0.16 -0.69 0.02 0.00 0.00 177.10 176.82 1cg3 s VAL 4 N 1.60 2.81 -0.18 1.60 1.01 -0.65 -1.36 120.40 125.23 1cg3 s VAL 4 Ca 0.03 -0.78 -0.05 0.00 0.00 0.00 0.00 61.98 61.18 1cg3 s VAL 4 Cb -0.19 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1cg3 s VAL 4 CO 0.08 0.56 -0.01 -0.69 0.00 0.00 0.00 175.10 175.04 1cg3 s VAL 5 N -0.17 4.05 -0.30 2.92 1.01 0.72 -1.05 120.40 127.58 1cg3 s VAL 5 Ca -0.01 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.64 1cg3 s VAL 5 Cb -0.13 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.47 1cg3 s VAL 5 CO 0.03 0.46 0.03 -0.69 0.00 0.00 0.00 175.10 174.93 1cg3 s VAL 6 N 0.66 3.34 0.22 2.92 1.01 -0.03 0.47 120.40 128.98 1cg3 s VAL 6 Ca -0.01 -1.12 0.01 0.00 0.00 0.00 0.00 61.98 60.87 1cg3 s VAL 6 Cb -0.14 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.37 1cg3 s VAL 6 CO 0.02 -0.02 0.06 -1.48 0.00 0.00 0.00 175.10 173.68 1cg3 s LEU 7 N 1.35 1.77 -0.14 3.92 -0.00 -1.02 0.77 118.68 125.33 1cg3 s LEU 7 Ca -0.02 -1.30 -0.26 0.00 -0.00 0.00 0.00 54.13 52.55 1cg3 s LEU 7 Cb -0.19 0.04 -0.02 0.00 -0.00 0.00 0.00 46.19 46.03 1cg3 s LEU 7 CO -0.00 -0.68 0.86 -0.83 -0.00 0.00 0.00 176.35 175.70 1cg3 s GLY 8 N -3.23 2.23 0.00 -3.48 0.00 -1.25 -1.13 107.32 100.45 1cg3 s GLY 8 Ca 0.32 0.13 0.27 0.00 0.00 0.00 0.00 44.72 45.44 1cg3 s GLY 8 CO 0.09 1.67 1.60 -1.30 0.00 0.00 0.00 173.10 175.16 1cg3 n THR 9 N 4.58 0.00 0.00 0.90 -2.24 -0.97 -0.35 114.28 116.20 1cg3 n THR 9 Ca 0.05 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1cg3 n THR 9 Cb 0.49 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.84 1cg3 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cg3 n GLN 10 N -1.22 0.00 -2.38 -0.78 6.02 -1.26 -4.45 117.38 113.31 1cg3 n GLN 10 Ca 0.09 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.90 1cg3 n GLN 10 Cb 0.33 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.61 1cg3 n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1cg3 n TRP 11 N 0.00 2.41 -0.38 1.08 8.01 -1.26 -0.72 117.44 126.58 1cg3 n TRP 11 Ca 0.00 -2.48 0.02 0.00 -1.31 0.00 0.00 57.50 53.72 1cg3 n TRP 11 Cb 0.00 -0.26 -0.00 0.00 -2.01 0.00 0.00 31.31 29.04 1cg3 n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1cg3 n GLY 12 N -0.56 -2.22 2.31 6.99 0.00 -1.25 -4.51 105.19 105.95 1cg3 n GLY 12 Ca 0.31 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.70 1cg3 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cg3 n ASP 13 N -1.17 -3.84 0.09 1.61 8.00 -1.26 -4.85 116.55 115.12 1cg3 n ASP 13 Ca 0.00 0.22 -0.06 0.00 0.71 0.00 0.00 54.79 55.67 1cg3 n ASP 13 Cb 0.06 -3.35 -0.01 0.00 -0.02 0.00 0.00 41.12 37.80 1cg3 n ASP 13 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1cg3 h GLU 14 N 0.00 0.04 0.00 -1.24 3.07 -1.91 -3.48 114.58 111.06 1cg3 h GLU 14 Ca -0.29 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 1cg3 h GLU 14 Cb 1.12 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.04 1cg3 h GLU 14 CO 0.37 0.88 0.00 0.41 -1.40 0.00 0.00 179.01 179.26 1cg3 n GLY 15 N 0.93 0.92 0.06 -3.84 0.00 -1.26 -4.49 105.19 97.52 1cg3 n GLY 15 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 1cg3 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cg3 h LYS 16 N 0.00 0.04 -0.42 1.61 6.56 -1.93 -2.95 116.57 119.47 1cg3 h LYS 16 Ca 0.00 -0.02 0.09 0.00 -1.06 0.00 0.00 60.65 59.66 1cg3 h LYS 16 Cb 0.00 -0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 31.57 1cg3 h LYS 16 CO 0.00 0.45 -0.22 0.78 -2.06 0.00 0.00 179.45 178.40 1cg3 h GLY 17 N -0.37 0.05 0.68 3.86 0.00 -1.89 0.19 103.07 105.59 1cg3 h GLY 17 Ca 0.00 0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 1cg3 h GLY 17 CO 0.00 -0.21 -0.33 1.70 0.00 0.00 0.00 176.54 177.71 1cg3 h LYS 18 N -0.14 -0.68 -0.29 4.80 3.64 -1.62 -0.29 116.57 121.99 1cg3 h LYS 18 Ca 0.20 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 1cg3 h LYS 18 Cb 0.46 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1cg3 h LYS 18 CO -0.51 -0.45 0.19 0.82 -2.27 0.00 0.00 179.45 177.23 1cg3 h ILE 19 N -0.71 1.04 0.12 2.00 1.08 -1.21 0.20 117.51 120.04 1cg3 h ILE 19 Ca -0.03 -0.12 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 1cg3 h ILE 19 Cb 0.63 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 1cg3 h ILE 19 CO -0.04 0.06 -0.06 0.58 -0.69 0.00 0.00 178.15 178.00 1cg3 h VAL 20 N 0.34 1.06 -0.80 1.67 2.07 -0.33 -1.70 116.25 118.57 1cg3 h VAL 20 Ca 0.11 -1.08 0.13 0.00 0.82 0.00 0.00 66.70 66.68 1cg3 h VAL 20 Cb 0.04 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1cg3 h VAL 20 CO -0.02 0.24 0.38 -0.78 0.02 0.00 0.00 177.57 177.41 1cg3 h ASP 21 N -0.71 0.45 0.48 0.57 3.58 -0.41 -1.14 116.42 119.23 1cg3 h ASP 21 Ca -0.02 0.09 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1cg3 h ASP 21 Cb 0.53 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 1cg3 h ASP 21 CO 0.03 0.20 -0.30 0.25 -2.88 0.00 0.00 179.24 176.54 1cg3 h LEU 22 N 0.57 -0.74 0.00 2.28 5.85 -0.53 -3.24 115.31 119.50 1cg3 h LEU 22 Ca 0.43 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1cg3 h LEU 22 Cb 0.59 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1cg3 h LEU 22 CO -0.36 -0.47 0.00 0.18 -0.34 0.00 0.00 178.44 177.46 1cg3 n LEU 23 N -5.43 0.00 -0.03 2.25 4.77 -0.65 -3.75 117.00 114.16 1cg3 n LEU 23 Ca -0.11 0.47 0.05 0.00 -0.03 0.00 0.00 56.01 56.38 1cg3 n LEU 23 Cb 0.33 -0.47 0.27 0.00 -2.33 0.00 0.00 43.42 41.22 1cg3 n LEU 23 CO 0.34 -0.05 0.67 0.35 -1.33 0.00 0.00 177.39 177.37 1cg3 n THR 24 N -1.47 0.01 0.15 -5.08 -2.24 -0.46 -3.47 114.28 101.73 1cg3 n THR 24 Ca 0.07 -0.02 0.06 0.00 -2.27 0.00 0.00 64.05 61.90 1cg3 n THR 24 Cb 0.29 -0.12 0.54 0.00 -2.10 0.00 0.00 70.33 68.94 1cg3 n THR 24 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1cg3 h GLU 25 N 0.09 0.22 0.00 -0.78 4.81 -1.75 -2.49 114.58 114.67 1cg3 h GLU 25 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1cg3 h GLU 25 Cb 0.02 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1cg3 h GLU 25 CO 0.00 0.16 -1.37 0.54 -0.73 0.00 0.00 179.01 177.60 1cg3 n ARG 26 N -4.50 0.29 -2.34 1.92 1.74 -1.23 -5.01 116.66 107.53 1cg3 n ARG 26 Ca -0.01 -0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.66 1cg3 n ARG 26 Cb 0.09 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.01 1cg3 n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1cg3 s ALA 27 N -3.18 2.80 -0.19 7.54 0.00 -0.94 -4.74 121.76 123.05 1cg3 s ALA 27 Ca 0.02 0.56 -0.10 0.00 0.00 0.00 0.00 51.96 52.45 1cg3 s ALA 27 Cb 0.15 -3.26 -0.21 0.00 0.00 0.00 0.00 23.12 19.81 1cg3 s ALA 27 CO 0.88 -0.54 0.10 1.63 0.00 0.00 0.00 175.76 177.83 1cg3 n LYS 28 N -1.36 0.67 -4.30 0.00 4.76 0.42 -4.41 118.16 113.93 1cg3 n LYS 28 Ca 0.09 0.32 -0.18 0.00 -2.87 0.00 0.00 58.31 55.67 1cg3 n LYS 28 Cb 0.52 -1.65 -0.10 0.00 -1.84 0.00 0.00 35.03 31.96 1cg3 n LYS 28 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1cg3 s TYR 29 N -2.50 1.56 -0.05 2.13 2.02 -1.14 -0.00 117.35 119.37 1cg3 s TYR 29 Ca -0.29 -0.60 -0.00 0.00 -0.37 0.00 0.00 57.07 55.81 1cg3 s TYR 29 Cb 0.08 -0.76 0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1cg3 s TYR 29 CO 0.65 0.26 -0.01 0.08 -1.57 0.00 0.00 175.55 174.95 1cg3 s VAL 30 N -2.81 0.37 -0.13 0.71 1.01 -0.95 -1.05 120.40 117.55 1cg3 s VAL 30 Ca 0.18 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1cg3 s VAL 30 Cb -0.01 -0.47 0.02 0.00 0.00 0.00 0.00 36.38 35.92 1cg3 s VAL 30 CO 0.05 0.22 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1cg3 s VAL 31 N 1.35 1.56 -0.03 2.92 1.01 0.27 -1.12 120.40 126.35 1cg3 s VAL 31 Ca -0.05 -0.65 -0.21 0.00 0.00 0.00 0.00 61.98 61.07 1cg3 s VAL 31 Cb -0.13 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 1cg3 s VAL 31 CO -0.02 0.45 0.61 -0.13 0.00 0.00 0.00 175.10 176.01 1cg3 s ARG 32 N 1.21 4.35 0.00 2.72 1.81 -0.76 0.43 118.95 128.71 1cg3 s ARG 32 Ca -0.01 0.74 0.00 0.00 -1.72 0.00 0.00 55.73 54.74 1cg3 s ARG 32 Cb -0.14 -3.37 0.00 0.00 -0.45 0.00 0.00 34.95 30.99 1cg3 s ARG 32 CO -0.06 0.28 0.06 2.48 -0.68 0.00 0.00 175.30 177.38 1cg3 n TYR 33 N 3.05 0.00 -3.65 -0.53 0.18 -1.26 -0.10 117.16 114.84 1cg3 n TYR 33 Ca -0.06 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.62 1cg3 n TYR 33 Cb 0.51 0.00 -0.03 0.00 -0.38 0.00 0.00 39.34 39.44 1cg3 n TYR 33 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1cg3 s GLN 34 N -0.78 1.37 0.67 -3.48 1.03 -1.26 -3.32 119.66 113.89 1cg3 s GLN 34 Ca 0.00 -0.75 0.00 0.00 0.04 0.00 0.00 55.36 54.65 1cg3 s GLN 34 Cb 0.00 0.55 0.00 0.00 0.03 0.00 0.00 33.01 33.59 1cg3 s GLN 34 CO 0.00 -0.59 0.00 0.41 -2.54 0.00 0.00 175.29 172.57 1cg3 n GLY 35 N -0.36 -1.86 0.00 2.60 0.00 -1.26 -4.62 105.19 99.69 1cg3 n GLY 35 Ca -0.12 -1.70 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1cg3 n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1cg3 n GLY 36 N 0.00 4.08 1.60 -0.02 0.00 -1.26 -0.39 105.19 109.19 1cg3 n GLY 36 Ca 0.00 -0.33 0.03 0.00 0.00 0.00 0.00 46.02 45.72 1cg3 n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1cg3 n HIS 37 N 0.00 1.66 0.20 1.61 1.44 -1.26 -3.65 115.22 115.22 1cg3 n HIS 37 Ca 0.00 -0.65 0.10 0.00 -2.01 0.00 0.00 57.72 55.16 1cg3 n HIS 37 Cb 0.00 -0.45 0.15 0.00 0.12 0.00 0.00 29.99 29.80 1cg3 n HIS 37 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1cg3 h ASN 38 N 2.79 0.00 -3.99 4.39 -1.07 -1.95 -3.45 115.58 112.30 1cg3 h ASN 38 Ca 0.05 0.00 -0.48 0.00 0.07 0.00 0.00 56.30 55.94 1cg3 h ASN 38 Cb 1.71 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.98 1cg3 h ASN 38 CO 0.42 0.12 0.41 0.00 0.07 0.00 0.00 177.43 178.45 1cg3 s ALA 39 N -3.16 3.02 -0.31 4.14 0.00 -1.24 -4.83 121.76 119.38 1cg3 s ALA 39 Ca 0.06 0.69 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1cg3 s ALA 39 Cb 0.06 -3.27 0.10 0.00 0.00 0.00 0.00 23.12 20.01 1cg3 s ALA 39 CO 0.69 -0.27 0.13 0.20 0.00 0.00 0.00 175.76 176.51 1cg3 s GLY 40 N -1.66 0.74 -0.35 0.00 0.00 -1.26 -4.16 107.32 100.64 1cg3 s GLY 40 Ca 0.61 -1.39 -0.09 0.00 0.00 0.00 0.00 44.72 43.85 1cg3 s GLY 40 CO 0.26 1.91 0.16 0.30 0.00 0.00 0.00 173.10 175.73 1cg3 s HIS 41 N 1.81 3.22 -0.21 1.90 3.76 0.26 -4.73 115.29 121.31 1cg3 s HIS 41 Ca 0.10 -1.03 -0.17 0.00 -0.15 0.00 0.00 55.06 53.81 1cg3 s HIS 41 Cb -0.17 -2.36 -0.04 0.00 1.11 0.00 0.00 32.58 31.12 1cg3 s HIS 41 CO -0.29 -0.63 0.43 0.99 -0.85 0.00 0.00 174.74 174.39 1cg3 s THR 42 N 1.51 5.17 0.01 1.30 2.01 -1.26 -0.49 115.64 123.89 1cg3 s THR 42 Ca 0.01 0.77 0.04 0.00 0.31 0.00 0.00 61.69 62.83 1cg3 s THR 42 Cb -0.19 -3.76 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1cg3 s THR 42 CO 0.05 0.22 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.36 1cg3 s LEU 43 N 1.47 3.08 -0.19 4.42 1.02 0.22 -3.29 118.68 125.41 1cg3 s LEU 43 Ca 0.20 -0.19 -0.05 0.00 0.02 0.00 0.00 54.13 54.12 1cg3 s LEU 43 Cb -0.15 -1.77 0.07 0.00 0.02 0.00 0.00 46.19 44.36 1cg3 s LEU 43 CO 0.09 0.28 0.12 -0.69 0.02 0.00 0.00 176.35 176.16 1cg3 s VAL 44 N -0.98 -0.13 -0.28 -1.59 1.01 -1.26 -0.52 120.40 116.64 1cg3 s VAL 44 Ca 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 1cg3 s VAL 44 Cb -0.11 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.68 1cg3 s VAL 44 CO 0.07 -0.30 -0.01 -0.63 0.00 0.00 0.00 175.10 174.23 1cg3 s ILE 45 N 2.17 3.16 -1.47 2.22 1.09 0.55 -0.86 121.20 128.06 1cg3 s ILE 45 Ca 0.03 -1.06 -0.06 0.00 -1.10 0.00 0.00 60.65 58.47 1cg3 s ILE 45 Cb -0.16 -2.67 0.05 0.00 -1.06 0.00 0.00 42.46 38.61 1cg3 s ILE 45 CO -0.12 0.08 0.62 0.59 -0.10 0.00 0.00 174.94 176.01 1cg3 n ASN 46 N 4.70 -1.72 0.00 3.58 4.13 -1.26 -0.59 115.26 124.10 1cg3 n ASN 46 Ca -0.15 -0.94 0.00 0.00 1.68 0.00 0.00 54.58 55.17 1cg3 n ASN 46 Cb 0.46 -3.28 0.00 0.00 -1.54 0.00 0.00 39.78 35.42 1cg3 n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1cg3 n GLY 47 N -1.76 2.96 3.68 7.41 0.00 -1.26 -4.98 105.19 111.25 1cg3 n GLY 47 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1cg3 n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1cg3 s GLU 48 N -0.07 4.40 -0.01 1.61 2.12 0.24 -5.02 118.70 121.97 1cg3 s GLU 48 Ca 0.00 1.32 -0.12 0.00 0.36 0.00 0.00 54.97 56.53 1cg3 s GLU 48 Cb 0.00 -3.55 -0.05 0.00 0.26 0.00 0.00 34.13 30.79 1cg3 s GLU 48 CO 0.00 -0.32 0.34 0.21 -0.54 0.00 0.00 175.26 174.96 1cg3 s LYS 49 N 2.03 3.77 -0.03 4.30 2.20 -1.26 -0.33 119.74 130.42 1cg3 s LYS 49 Ca 0.46 0.23 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 1cg3 s LYS 49 Cb -0.18 -3.17 0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1cg3 s LYS 49 CO 0.17 0.69 0.05 0.99 -0.36 0.00 0.00 175.35 176.88 1cg3 s THR 50 N -1.13 -0.05 -0.21 3.43 2.01 0.32 -4.99 115.64 115.01 1cg3 s THR 50 Ca 0.23 0.17 0.02 0.00 0.31 0.00 0.00 61.69 62.42 1cg3 s THR 50 Cb -0.15 -0.10 0.03 0.00 0.01 0.00 0.00 72.50 72.29 1cg3 s THR 50 CO 0.12 0.07 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.27 1cg3 s VAL 51 N 0.87 2.15 0.19 3.82 1.01 -1.26 0.69 120.40 127.87 1cg3 s VAL 51 Ca -0.07 -1.19 0.01 0.00 0.00 0.00 0.00 61.98 60.73 1cg3 s VAL 51 Cb -0.10 -2.04 -0.04 0.00 0.00 0.00 0.00 36.38 34.20 1cg3 s VAL 51 CO -0.03 0.32 0.35 -0.76 0.00 0.00 0.00 175.10 174.98 1cg3 s LEU 52 N 1.23 4.27 0.00 3.92 1.43 0.36 -4.88 118.68 125.02 1cg3 s LEU 52 Ca -0.00 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.37 1cg3 s LEU 52 Cb -0.16 -3.03 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1cg3 s LEU 52 CO -0.10 -0.02 0.00 1.41 0.23 0.00 0.00 176.35 177.87 1cg3 n HIS 53 N -0.76 -0.01 -0.02 0.29 8.25 -1.26 -0.57 115.22 121.15 1cg3 n HIS 53 Ca -0.06 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.29 1cg3 n HIS 53 Cb 0.54 0.11 -0.14 0.00 1.12 0.00 0.00 29.99 31.62 1cg3 n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1cg3 n LEU 54 N -2.51 1.21 -4.71 2.41 7.94 -1.26 -4.45 117.00 115.64 1cg3 n LEU 54 Ca 0.00 0.38 -0.42 0.00 -1.11 0.00 0.00 56.01 54.86 1cg3 n LEU 54 Cb 0.00 -0.08 -0.03 0.00 0.53 0.00 0.00 43.42 43.84 1cg3 n LEU 54 CO 0.00 0.48 0.86 -0.63 -1.11 0.00 0.00 177.39 176.99 1cg3 s ILE 55 N -2.59 4.22 0.69 1.96 1.01 -1.26 -4.97 121.20 120.26 1cg3 s ILE 55 Ca -0.08 1.59 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 1cg3 s ILE 55 Cb 0.08 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1cg3 s ILE 55 CO 0.81 0.10 0.74 -2.65 0.00 0.00 0.00 174.94 173.94 1cg3 n PRO 56 N 4.20 0.47 0.00 2.79 -0.02 -1.26 -4.85 135.00 136.33 1cg3 n PRO 56 Ca 0.09 0.20 0.09 0.00 -2.02 0.00 0.00 63.50 61.87 1cg3 n PRO 56 Cb 0.47 -1.99 0.46 0.00 -0.02 0.00 0.00 33.50 32.41 1cg3 n PRO 56 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1cg3 n SER 57 N -0.75 0.00 -0.42 2.55 7.64 -1.26 -2.64 113.62 118.74 1cg3 n SER 57 Ca 0.12 0.19 0.12 0.00 1.01 0.00 0.00 58.87 60.31 1cg3 n SER 57 Cb 0.49 -0.36 0.51 0.00 -1.01 0.00 0.00 64.21 63.84 1cg3 n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1cg3 n GLY 58 N 0.39 -0.08 0.22 0.23 0.00 -1.26 -4.29 105.19 100.41 1cg3 n GLY 58 Ca 0.07 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 45.86 1cg3 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cg3 h ILE 59 N 1.86 0.00 -0.01 -0.61 6.09 -1.87 -1.16 117.51 121.81 1cg3 h ILE 59 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 1cg3 h ILE 59 Cb 0.40 0.65 0.00 0.00 0.47 0.00 0.00 36.82 38.34 1cg3 h ILE 59 CO 0.00 0.00 -0.02 0.18 -3.07 0.00 0.00 178.15 175.24 1cg3 n LEU 60 N -2.53 1.51 -4.25 2.19 4.77 -1.26 -4.72 117.00 112.71 1cg3 n LEU 60 Ca -0.02 -0.50 -0.35 0.00 -0.03 0.00 0.00 56.01 55.11 1cg3 n LEU 60 Cb 0.05 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 40.99 1cg3 n LEU 60 CO 0.13 0.25 -0.38 -0.13 -1.33 0.00 0.00 177.39 175.93 1cg3 s ARG 61 N -2.04 2.99 0.45 3.23 0.52 -0.44 -4.98 118.95 118.67 1cg3 s ARG 61 Ca 0.37 -0.89 0.31 0.00 -0.52 0.00 0.00 55.73 55.00 1cg3 s ARG 61 Cb 0.21 -3.06 1.42 0.00 0.52 0.00 0.00 34.95 34.04 1cg3 s ARG 61 CO 0.35 -0.37 1.92 1.05 0.02 0.00 0.00 175.30 178.28 1cg3 h GLU 62 N 8.07 0.00 0.00 3.54 -0.00 -1.84 -2.42 114.58 121.93 1cg3 h GLU 62 Ca -0.34 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.02 1cg3 h GLU 62 Cb 1.12 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.87 1cg3 h GLU 62 CO 0.59 0.00 0.00 -2.95 -0.00 0.00 0.00 179.01 176.65 1cg3 h ASN 63 N 0.00 0.00 -2.96 3.06 7.08 -1.93 -3.45 115.58 117.39 1cg3 h ASN 63 Ca 0.00 0.00 -0.63 0.00 -3.08 0.00 0.00 56.30 52.59 1cg3 h ASN 63 Cb 0.30 0.00 -0.06 0.00 -2.08 0.00 0.00 38.32 36.48 1cg3 h ASN 63 CO 0.00 0.00 -0.53 -0.69 -2.08 0.00 0.00 177.43 174.13 1cg3 s VAL 64 N -3.35 5.17 -0.29 6.14 1.01 -0.91 -4.75 120.40 123.41 1cg3 s VAL 64 Ca 0.05 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 1cg3 s VAL 64 Cb 0.08 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1cg3 s VAL 64 CO 0.59 0.19 0.09 -0.89 0.00 0.00 0.00 175.10 175.08 1cg3 s THR 65 N -1.42 4.11 -0.01 3.92 2.01 1.00 -4.90 115.64 120.34 1cg3 s THR 65 Ca 0.31 -0.59 -0.24 0.00 0.31 0.00 0.00 61.69 61.48 1cg3 s THR 65 Cb -0.13 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 1cg3 s THR 65 CO 0.24 0.11 0.73 -0.44 -0.69 0.00 0.00 174.62 174.57 1cg3 s SER 66 N 1.53 7.10 -0.05 3.53 0.01 0.55 -2.24 113.70 124.14 1cg3 s SER 66 Ca 0.03 1.32 0.04 0.00 1.31 0.00 0.00 55.95 58.65 1cg3 s SER 66 Cb -0.17 -2.44 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1cg3 s SER 66 CO 0.03 -0.05 -0.15 -0.63 0.41 0.00 0.00 173.24 172.85 1cg3 s ILE 67 N 0.38 1.28 -0.43 1.44 1.01 -0.28 -0.22 121.20 124.39 1cg3 s ILE 67 Ca 0.38 -0.62 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1cg3 s ILE 67 Cb -0.19 -1.12 0.07 0.00 0.01 0.00 0.00 42.46 41.23 1cg3 s ILE 67 CO 0.21 0.38 0.30 -0.63 0.00 0.00 0.00 174.94 175.20 1cg3 s ILE 68 N 0.21 4.59 0.78 2.92 1.01 -0.36 -1.82 121.20 128.52 1cg3 s ILE 68 Ca -0.06 -1.26 -0.11 0.00 0.00 0.00 0.00 60.65 59.22 1cg3 s ILE 68 Cb -0.12 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.63 1cg3 s ILE 68 CO 0.02 -0.52 1.09 -0.83 0.00 0.00 0.00 174.94 174.70 1cg3 s GLY 69 N 2.26 1.67 0.64 6.18 0.00 0.85 -1.47 107.32 117.44 1cg3 s GLY 69 Ca 0.03 0.21 0.32 0.00 0.00 0.00 0.00 44.72 45.28 1cg3 s GLY 69 CO 0.04 0.57 2.04 3.45 0.00 0.00 0.00 173.10 179.20 1cg3 h ASN 70 N -1.13 0.00 1.04 1.64 -1.07 -1.76 -1.19 115.58 113.10 1cg3 h ASN 70 Ca -0.44 0.00 -0.04 0.00 0.07 0.00 0.00 56.30 55.89 1cg3 h ASN 70 Cb 1.23 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.48 1cg3 h ASN 70 CO 0.52 0.00 -0.20 1.23 0.07 0.00 0.00 177.43 179.06 1cg3 h GLY 71 N 0.00 0.00 -3.86 9.14 0.00 -1.15 -3.38 103.07 103.82 1cg3 h GLY 71 Ca 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.87 1cg3 h GLY 71 CO -0.00 0.00 0.49 0.14 0.00 0.00 0.00 176.54 177.17 1cg3 s VAL 72 N -3.58 3.51 -0.32 4.60 1.01 -0.45 -4.23 120.40 120.93 1cg3 s VAL 72 Ca 0.01 1.47 -0.17 0.00 0.00 0.00 0.00 61.98 63.30 1cg3 s VAL 72 Cb 0.10 -3.94 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 1cg3 s VAL 72 CO 0.63 0.33 0.47 0.68 0.00 0.00 0.00 175.10 177.21 1cg3 s VAL 73 N -0.99 5.08 -0.22 2.92 -7.23 0.47 -3.71 120.40 116.73 1cg3 s VAL 73 Ca 0.46 0.45 -0.07 0.00 -1.81 0.00 0.00 61.98 61.01 1cg3 s VAL 73 Cb -0.32 -3.87 -0.03 0.00 0.56 0.00 0.00 36.38 32.72 1cg3 s VAL 73 CO 0.40 -0.07 0.06 -0.22 -0.31 0.00 0.00 175.10 174.97 1cg3 s LEU 74 N 2.27 3.53 -0.52 1.32 2.96 -0.12 -4.19 118.68 123.93 1cg3 s LEU 74 Ca 0.18 -0.11 -0.18 0.00 -0.22 0.00 0.00 54.13 53.79 1cg3 s LEU 74 Cb -0.16 -1.92 0.08 0.00 0.50 0.00 0.00 46.19 44.69 1cg3 s LEU 74 CO 0.12 0.05 0.56 -0.55 -1.32 0.00 0.00 176.35 175.21 1cg3 s SER 75 N 1.12 6.19 0.39 3.68 0.15 -1.26 -0.14 113.70 123.83 1cg3 s SER 75 Ca 0.04 -1.20 0.18 0.00 0.70 0.00 0.00 55.95 55.67 1cg3 s SER 75 Cb -0.14 -2.26 1.08 0.00 -1.71 0.00 0.00 66.02 63.00 1cg3 s SER 75 CO 0.03 -0.86 1.78 -0.65 1.20 0.00 0.00 173.24 174.74 1cg3 h PRO 76 N 8.95 0.40 -0.04 5.44 0.11 -1.98 0.28 132.00 145.16 1cg3 h PRO 76 Ca -0.28 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 1cg3 h PRO 76 Cb 1.10 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1cg3 h PRO 76 CO 0.97 0.27 -0.00 0.00 -0.21 0.00 0.00 178.00 179.02 1cg3 h ALA 77 N 1.62 0.06 0.15 -0.75 0.00 -1.93 -1.97 119.26 116.43 1cg3 h ALA 77 Ca 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.31 1cg3 h ALA 77 Cb 1.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1cg3 h ALA 77 CO -0.29 -0.26 -0.10 0.00 0.00 0.00 0.00 179.25 178.60 1cg3 h ALA 78 N 0.69 -0.23 -0.02 0.00 0.00 -1.36 -2.24 119.26 116.10 1cg3 h ALA 78 Ca 0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1cg3 h ALA 78 Cb 0.35 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1cg3 h ALA 78 CO 0.00 -0.64 -0.48 1.25 0.00 0.00 0.00 179.25 179.39 1cg3 h LEU 79 N -0.24 -1.48 -0.26 0.00 5.85 -0.55 -1.29 115.31 117.33 1cg3 h LEU 79 Ca -0.01 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.94 1cg3 h LEU 79 Cb 0.21 0.57 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 1cg3 h LEU 79 CO 0.01 -0.49 -0.14 0.24 -0.34 0.00 0.00 178.44 177.72 1cg3 h MET 80 N -0.61 -0.10 -0.36 1.25 2.86 -1.29 0.20 114.93 116.88 1cg3 h MET 80 Ca 0.04 0.01 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1cg3 h MET 80 Cb 0.69 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 32.30 1cg3 h MET 80 CO -0.35 -0.07 -0.13 -0.22 1.06 0.00 0.00 176.91 177.20 1cg3 h LYS 81 N -0.10 -0.05 -0.59 1.72 3.64 -1.13 0.14 116.57 120.20 1cg3 h LYS 81 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1cg3 h LYS 81 Cb 0.32 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.12 1cg3 h LYS 81 CO -0.33 -0.03 0.18 0.93 -2.27 0.00 0.00 179.45 177.93 1cg3 h GLU 82 N -0.05 0.91 -0.59 1.90 5.08 -0.69 -2.57 114.58 118.57 1cg3 h GLU 82 Ca 0.18 -0.20 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 1cg3 h GLU 82 Cb 0.32 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1cg3 h GLU 82 CO -0.40 0.82 0.32 1.98 -1.00 0.00 0.00 179.01 180.73 1cg3 h MET 83 N 0.83 0.59 -0.08 2.33 4.05 0.23 -2.01 114.93 120.87 1cg3 h MET 83 Ca 0.19 -0.04 -0.00 0.00 -0.28 0.00 0.00 59.70 59.57 1cg3 h MET 83 Cb 0.29 -0.13 -0.00 0.00 -0.80 0.00 0.00 31.60 30.95 1cg3 h MET 83 CO -0.01 0.39 0.03 -0.22 0.23 0.00 0.00 176.91 177.33 1cg3 h LYS 84 N 0.61 0.11 -0.63 0.39 3.11 -0.62 -1.55 116.57 117.99 1cg3 h LYS 84 Ca 0.26 -0.02 0.02 0.00 -2.81 0.00 0.00 60.65 58.10 1cg3 h LYS 84 Cb 0.15 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 1cg3 h LYS 84 CO -0.16 0.24 0.41 0.93 -2.81 0.00 0.00 179.45 178.06 1cg3 h GLU 85 N -0.04 0.76 0.05 1.90 5.08 -1.29 -0.74 114.58 120.30 1cg3 h GLU 85 Ca 0.03 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.08 1cg3 h GLU 85 Cb 0.17 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1cg3 h GLU 85 CO -0.00 0.50 -1.08 -0.07 -1.00 0.00 0.00 179.01 177.36 1cg3 h LEU 86 N 0.78 0.66 -0.26 1.33 3.38 -1.20 -3.14 115.31 116.86 1cg3 h LEU 86 Ca 0.24 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.62 1cg3 h LEU 86 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1cg3 h LEU 86 CO -0.06 1.39 0.10 -0.33 0.09 0.00 0.00 178.44 179.62 1cg3 h GLU 87 N 0.24 0.39 0.00 1.13 5.08 -0.93 -0.28 114.58 120.21 1cg3 h GLU 87 Ca -0.12 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1cg3 h GLU 87 Cb 1.74 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.93 1cg3 h GLU 87 CO 0.19 0.43 0.05 -0.44 -1.00 0.00 0.00 179.01 178.24 1cg3 h ASP 88 N 0.26 0.00 -0.59 1.42 3.45 -1.21 0.16 116.42 119.91 1cg3 h ASP 88 Ca 0.09 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.55 1cg3 h ASP 88 Cb 0.19 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.96 1cg3 h ASP 88 CO -0.01 0.00 0.00 0.54 -1.57 0.00 0.00 179.24 178.20 1cg3 n ARG 89 N -2.99 4.70 -0.99 3.56 1.74 -0.69 -4.94 116.66 117.05 1cg3 n ARG 89 Ca -0.03 -3.13 0.00 0.00 -0.77 0.00 0.00 57.85 53.93 1cg3 n ARG 89 Cb 0.11 -2.20 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1cg3 n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cg3 n GLY 90 N 0.71 0.75 3.51 -0.13 0.00 0.54 -5.01 105.19 105.56 1cg3 n GLY 90 Ca 0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.87 1cg3 n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cg3 s ILE 91 N -3.05 4.92 -0.94 -0.61 1.09 -0.20 -4.97 121.20 117.44 1cg3 s ILE 91 Ca 0.00 -0.03 -0.14 0.00 -1.10 0.00 0.00 60.65 59.38 1cg3 s ILE 91 Cb 0.00 -4.15 -0.09 0.00 -1.06 0.00 0.00 42.46 37.16 1cg3 s ILE 91 CO 0.00 -0.53 2.08 -0.81 -0.10 0.00 0.00 174.94 175.58 1cg3 n PRO 92 N 6.04 1.98 -0.36 2.79 -0.04 -1.26 -3.10 135.00 141.05 1cg3 n PRO 92 Ca -0.03 -1.76 -0.05 0.00 -0.04 0.00 0.00 63.50 61.62 1cg3 n PRO 92 Cb 0.48 -2.74 -0.02 0.00 -0.04 0.00 0.00 33.50 31.18 1cg3 n PRO 92 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1cg3 n VAL 93 N 5.02 -0.53 0.23 0.52 0.31 -1.26 -0.61 118.33 122.01 1cg3 n VAL 93 Ca 0.49 2.12 0.17 0.00 -0.01 0.00 0.00 64.34 67.11 1cg3 n VAL 93 Cb 0.28 -2.72 0.85 0.00 -0.91 0.00 0.00 33.84 31.33 1cg3 n VAL 93 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1cg3 h ARG 94 N 0.00 0.00 0.00 5.55 3.08 -1.88 0.50 114.38 121.62 1cg3 h ARG 94 Ca 0.24 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 1cg3 h ARG 94 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 1cg3 h ARG 94 CO -0.86 0.00 -0.39 0.93 -1.07 0.00 0.00 179.97 178.57 1cg3 h GLU 95 N 0.00 0.00 0.00 0.04 5.08 -1.27 -3.33 114.58 115.10 1cg3 h GLU 95 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1cg3 h GLU 95 Cb 0.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1cg3 h GLU 95 CO -0.00 0.39 -0.72 0.54 -1.00 0.00 0.00 179.01 178.22 1cg3 n ARG 96 N -3.21 2.59 -4.12 2.33 1.74 0.18 -5.00 116.66 111.17 1cg3 n ARG 96 Ca 0.02 -0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.74 1cg3 n ARG 96 Cb 0.68 -1.11 -0.09 0.00 -1.02 0.00 0.00 32.46 30.92 1cg3 n ARG 96 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1cg3 s LEU 97 N -2.76 3.79 0.10 0.55 2.96 0.15 -0.33 118.68 123.14 1cg3 s LEU 97 Ca 0.03 0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 1cg3 s LEU 97 Cb 0.09 -1.92 -0.03 0.00 0.50 0.00 0.00 46.19 44.82 1cg3 s LEU 97 CO 0.51 0.27 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.91 1cg3 s LEU 98 N -0.19 2.36 0.11 -0.68 1.43 0.70 -4.81 118.68 117.60 1cg3 s LEU 98 Ca 0.07 -0.74 -0.09 0.00 -1.03 0.00 0.00 54.13 52.34 1cg3 s LEU 98 Cb -0.12 -0.50 -0.00 0.00 0.03 0.00 0.00 46.19 45.60 1cg3 s LEU 98 CO 0.01 -0.14 0.21 -1.48 0.23 0.00 0.00 176.35 175.19 1cg3 s LEU 99 N -2.19 1.31 0.13 1.79 0.05 0.23 -1.23 118.68 118.78 1cg3 s LEU 99 Ca 0.04 -0.73 -0.22 0.00 0.05 0.00 0.00 54.13 53.28 1cg3 s LEU 99 Cb -0.06 1.06 -0.07 0.00 -2.05 0.00 0.00 46.19 45.06 1cg3 s LEU 99 CO 0.02 -0.77 0.67 -0.55 -0.55 0.00 0.00 176.35 175.17 1cg3 s SER 100 N -2.90 7.19 0.33 1.48 0.15 -0.54 -1.32 113.70 118.09 1cg3 s SER 100 Ca 0.09 1.43 0.26 0.00 0.70 0.00 0.00 55.95 58.43 1cg3 s SER 100 Cb 0.05 -2.42 0.89 0.00 -1.71 0.00 0.00 66.02 62.83 1cg3 s SER 100 CO -0.08 0.22 1.77 1.05 1.20 0.00 0.00 173.24 177.40 1cg3 h GLU 101 N 4.28 0.00 -0.00 5.44 4.11 -1.92 -2.86 114.58 123.63 1cg3 h GLU 101 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1cg3 h GLU 101 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1cg3 h GLU 101 CO 0.65 0.00 -0.08 0.00 0.07 0.00 0.00 179.01 179.65 1cg3 n ALA 102 N -1.89 2.61 -1.85 1.06 0.00 -1.26 -0.81 120.51 118.37 1cg3 n ALA 102 Ca 0.03 -0.18 -0.42 0.00 0.00 0.00 0.00 53.44 52.87 1cg3 n ALA 102 Cb 0.36 -1.41 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1cg3 n ALA 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1cg3 s PRO 104 N 1.97 3.18 -0.10 0.00 0.02 -1.24 -1.57 135.00 137.25 1cg3 s PRO 104 Ca 0.74 1.41 -0.14 0.00 0.02 0.00 0.00 61.00 63.04 1cg3 s PRO 104 Cb -0.44 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.03 1cg3 s PRO 104 CO 0.33 -0.95 0.32 -0.51 -0.33 0.00 0.00 177.00 175.87 1cg3 s LEU 105 N -4.33 4.33 -0.42 -5.54 1.43 0.11 -0.95 118.68 113.32 1cg3 s LEU 105 Ca 0.68 0.67 -0.16 0.00 -1.03 0.00 0.00 54.13 54.28 1cg3 s LEU 105 Cb -0.20 -2.43 0.02 0.00 0.03 0.00 0.00 46.19 43.61 1cg3 s LEU 105 CO 0.34 0.19 0.39 -0.63 0.23 0.00 0.00 176.35 176.87 1cg3 s ILE 106 N -0.16 5.15 0.37 -0.59 1.01 0.80 -4.71 121.20 123.08 1cg3 s ILE 106 Ca 0.19 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.44 1cg3 s ILE 106 Cb -0.14 -4.00 -0.04 0.00 0.01 0.00 0.00 42.46 38.28 1cg3 s ILE 106 CO 0.07 -0.39 0.19 -0.76 0.00 0.00 0.00 174.94 174.05 1cg3 s LEU 107 N 1.96 3.23 0.29 2.97 1.43 -1.26 -4.21 118.68 123.08 1cg3 s LEU 107 Ca 0.09 -0.87 -0.01 0.00 -1.03 0.00 0.00 54.13 52.31 1cg3 s LEU 107 Cb -0.18 -1.68 0.64 0.00 0.03 0.00 0.00 46.19 45.00 1cg3 s LEU 107 CO 0.12 -0.43 1.50 0.47 0.23 0.00 0.00 176.35 178.24 1cg3 n ASP 108 N -1.23 -0.18 0.24 2.29 9.92 -1.26 -0.97 116.55 125.35 1cg3 n ASP 108 Ca -0.01 1.63 0.09 0.00 -0.53 0.00 0.00 54.79 55.97 1cg3 n ASP 108 Cb 0.62 -0.56 0.64 0.00 -0.64 0.00 0.00 41.12 41.18 1cg3 n ASP 108 CO 0.00 0.00 0.00 0.10 0.13 0.00 0.00 177.20 177.43 1cg3 h TYR 109 N 0.00 0.01 -0.56 1.24 -0.00 -1.96 -1.71 116.97 113.99 1cg3 h TYR 109 Ca 0.54 0.00 0.02 0.00 0.00 0.00 0.00 58.73 59.29 1cg3 h TYR 109 Cb 1.04 -0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.73 1cg3 h TYR 109 CO -0.57 0.00 0.34 0.45 -0.00 0.00 0.00 178.16 178.39 1cg3 h HIS 110 N 0.01 0.64 -0.56 0.10 3.86 -1.40 0.11 115.15 117.91 1cg3 h HIS 110 Ca 0.02 0.02 -0.04 0.00 -1.16 0.00 0.00 60.37 59.21 1cg3 h HIS 110 Cb 0.07 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 1cg3 h HIS 110 CO -0.00 0.38 0.19 0.28 0.86 0.00 0.00 177.93 179.63 1cg3 h VAL 111 N 0.68 1.23 0.38 2.45 2.07 -1.40 -0.25 116.25 121.41 1cg3 h VAL 111 Ca 0.22 -0.77 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1cg3 h VAL 111 Cb 0.00 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1cg3 h VAL 111 CO -0.09 0.29 -0.35 0.00 0.02 0.00 0.00 177.57 177.44 1cg3 h ALA 112 N 1.05 -0.77 -0.51 1.67 0.00 -1.04 0.31 119.26 119.96 1cg3 h ALA 112 Ca 0.18 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1cg3 h ALA 112 Cb 0.26 0.50 -0.10 0.00 0.00 0.00 0.00 17.79 18.45 1cg3 h ALA 112 CO -0.01 -0.97 -0.10 -0.07 0.00 0.00 0.00 179.25 178.10 1cg3 h LEU 113 N -0.75 -0.42 -0.14 0.00 3.38 -0.54 0.44 115.31 117.28 1cg3 h LEU 113 Ca -0.03 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1cg3 h LEU 113 Cb 0.66 0.30 -0.05 0.00 0.09 0.00 0.00 40.66 41.67 1cg3 h LEU 113 CO -0.05 -0.15 -0.15 -0.78 0.09 0.00 0.00 178.44 177.40 1cg3 h ASP 114 N 0.02 -0.46 -0.07 -0.43 -0.00 -0.63 0.23 116.42 115.09 1cg3 h ASP 114 Ca 0.25 0.09 0.01 0.00 -0.00 0.00 0.00 57.03 57.38 1cg3 h ASP 114 Cb 0.38 0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.93 1cg3 h ASP 114 CO -0.51 -0.19 0.00 0.78 -0.00 0.00 0.00 179.24 179.32 1cg3 h ASN 115 N -0.18 -0.02 0.12 2.28 -0.26 0.30 0.22 115.58 118.05 1cg3 h ASN 115 Ca 0.10 0.01 0.01 0.00 -0.56 0.00 0.00 56.30 55.86 1cg3 h ASN 115 Cb 0.32 0.02 -0.03 0.00 -1.06 0.00 0.00 38.32 37.57 1cg3 h ASN 115 CO -0.25 0.00 -0.38 0.00 -1.06 0.00 0.00 177.43 175.75 1cg3 h ALA 116 N 1.06 -0.90 -0.43 -0.83 0.00 0.24 -0.46 119.26 117.94 1cg3 h ALA 116 Ca 0.03 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1cg3 h ALA 116 Cb 0.03 0.75 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 1cg3 h ALA 116 CO -0.05 -0.98 0.06 0.00 0.00 0.00 0.00 179.25 178.28 1cg3 h ARG 117 N -0.56 0.17 -1.00 0.00 2.47 -0.37 0.11 114.38 115.19 1cg3 h ARG 117 Ca -0.01 -0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.83 1cg3 h ARG 117 Cb 0.55 -0.04 -0.09 0.00 -1.65 0.00 0.00 29.97 28.75 1cg3 h ARG 117 CO -0.18 0.11 0.63 1.49 0.56 0.00 0.00 179.97 182.58 1cg3 h GLU 118 N 0.18 0.94 -0.12 0.04 4.57 -0.37 -0.34 114.58 119.48 1cg3 h GLU 118 Ca 0.21 -0.06 -0.05 0.00 -1.18 0.00 0.00 59.36 58.28 1cg3 h GLU 118 Cb 0.28 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1cg3 h GLU 118 CO -0.30 0.62 -0.12 -0.22 -1.18 0.00 0.00 179.01 177.81 1cg3 h LYS 119 N 0.97 0.30 -1.01 1.92 3.64 0.69 -2.98 116.57 120.10 1cg3 h LYS 119 Ca 0.50 -0.16 0.23 0.00 -1.27 0.00 0.00 60.65 59.96 1cg3 h LYS 119 Cb 0.53 0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 1cg3 h LYS 119 CO -0.27 0.70 0.62 0.00 -2.27 0.00 0.00 179.45 178.23 1cg3 h ALA 120 N 0.59 1.93 0.00 5.00 0.00 0.50 0.29 119.26 127.57 1cg3 h ALA 120 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1cg3 h ALA 120 Cb 0.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1cg3 h ALA 120 CO 0.03 -0.34 0.00 0.54 0.00 0.00 0.00 179.25 179.48 1cg3 n ARG 121 N -4.74 0.17 0.00 0.00 1.74 -0.27 -4.92 116.66 108.64 1cg3 n ARG 121 Ca 0.25 0.47 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 1cg3 n ARG 121 Cb 0.73 -1.88 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1cg3 n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cg3 n GLY 122 N -0.35 2.59 0.34 -0.13 0.00 0.10 -0.06 105.19 107.68 1cg3 n GLY 122 Ca 0.01 -0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.17 1cg3 n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cg3 h ALA 123 N -0.17 1.38 -1.03 4.61 0.00 -1.91 -2.29 119.26 119.85 1cg3 h ALA 123 Ca 0.00 -0.00 -0.68 0.00 0.00 0.00 0.00 54.91 54.23 1cg3 h ALA 123 Cb 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 17.48 1cg3 h ALA 123 CO 0.00 -0.28 0.51 0.36 0.00 0.00 0.00 179.25 179.84 1cg3 n LYS 124 N -3.11 2.93 -2.40 0.00 -0.00 0.92 -5.01 118.16 111.49 1cg3 n LYS 124 Ca -0.01 -3.64 -0.32 0.00 -0.00 0.00 0.00 58.31 54.34 1cg3 n LYS 124 Cb 0.33 -2.28 -0.03 0.00 -0.00 0.00 0.00 35.03 33.04 1cg3 n LYS 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1cg3 s ALA 125 N -3.85 3.04 0.11 0.58 0.00 -0.87 -4.86 121.76 115.92 1cg3 s ALA 125 Ca 0.57 0.22 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 1cg3 s ALA 125 Cb 0.46 -3.13 -0.12 0.00 0.00 0.00 0.00 23.12 20.33 1cg3 s ALA 125 CO -0.17 -0.25 1.36 0.82 0.00 0.00 0.00 175.76 177.52 1cg3 h ILE 126 N 0.96 1.28 -0.45 0.00 1.08 -1.91 -3.42 117.51 115.03 1cg3 h ILE 126 Ca -0.47 -1.82 0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1cg3 h ILE 126 Cb 1.19 1.77 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 1cg3 h ILE 126 CO 0.61 0.59 0.00 0.61 -0.69 0.00 0.00 178.15 179.27 1cg3 n GLY 127 N 0.50 0.99 3.64 5.37 0.00 -1.26 -1.19 105.19 113.24 1cg3 n GLY 127 Ca -0.06 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.33 1cg3 n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1cg3 s THR 128 N -2.45 2.22 -2.00 2.61 -4.23 -1.26 -4.57 115.64 105.95 1cg3 s THR 128 Ca 0.00 0.07 0.12 0.00 -1.18 0.00 0.00 61.69 60.70 1cg3 s THR 128 Cb 0.00 -2.18 0.35 0.00 1.34 0.00 0.00 72.50 72.01 1cg3 s THR 128 CO 0.00 -0.09 1.32 0.35 -0.54 0.00 0.00 174.62 175.66 1cg3 n THR 129 N -4.32 0.00 -0.97 3.99 -2.24 -1.26 -4.88 114.28 104.59 1cg3 n THR 129 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1cg3 n THR 129 Cb 0.53 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1cg3 n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg3 n GLY 130 N 0.45 0.68 0.31 3.38 0.00 -1.26 -4.94 105.19 103.80 1cg3 n GLY 130 Ca 0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1cg3 n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1cg3 n ARG 131 N -2.29 0.69 -2.14 1.61 3.00 -1.26 -4.89 116.66 111.38 1cg3 n ARG 131 Ca 0.00 -0.23 -0.33 0.00 -0.01 0.00 0.00 57.85 57.29 1cg3 n ARG 131 Cb 0.02 -0.04 0.02 0.00 0.00 0.00 0.00 32.46 32.47 1cg3 n ARG 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1cg3 n GLY 132 N 4.40 5.83 0.34 -0.13 0.00 -1.26 -4.61 105.19 109.76 1cg3 n GLY 132 Ca 0.01 -2.61 -0.13 0.00 0.00 0.00 0.00 46.02 43.29 1cg3 n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1cg3 h ILE 133 N 2.20 0.00 0.04 -0.61 1.08 -1.95 -1.06 117.51 117.21 1cg3 h ILE 133 Ca 0.44 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.93 1cg3 h ILE 133 Cb 0.59 0.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.31 1cg3 h ILE 133 CO 1.14 0.00 -0.18 1.23 -0.69 0.00 0.00 178.15 179.65 1cg3 h GLY 134 N -0.78 -0.27 0.49 5.37 0.00 -1.94 -0.91 103.07 105.03 1cg3 h GLY 134 Ca -0.07 0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.59 1cg3 h GLY 134 CO 0.05 -0.17 0.63 -2.55 0.00 0.00 0.00 176.54 174.50 1cg3 h PRO 135 N -0.31 0.95 -0.33 4.80 0.11 -1.86 0.28 132.00 135.65 1cg3 h PRO 135 Ca 0.04 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1cg3 h PRO 135 Cb 0.36 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 1cg3 h PRO 135 CO -0.14 0.63 0.21 0.00 -0.21 0.00 0.00 178.00 178.49 1cg3 h ALA 136 N 1.54 0.42 -0.54 -0.75 0.00 -0.51 -0.94 119.26 118.48 1cg3 h ALA 136 Ca 0.49 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.35 1cg3 h ALA 136 Cb 0.49 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1cg3 h ALA 136 CO -0.25 -0.12 0.25 1.88 0.00 0.00 0.00 179.25 181.01 1cg3 h TYR 137 N 0.44 0.74 0.80 0.00 -1.99 0.34 -2.40 116.97 114.90 1cg3 h TYR 137 Ca 0.12 -0.02 -0.04 0.00 2.00 0.00 0.00 58.73 60.79 1cg3 h TYR 137 Cb -0.04 -0.24 0.01 0.00 2.00 0.00 0.00 36.73 38.46 1cg3 h TYR 137 CO -0.05 0.55 -0.39 0.93 -0.00 0.00 0.00 178.16 179.20 1cg3 h GLU 138 N 0.75 -1.04 -0.70 4.88 5.08 0.32 -2.72 114.58 121.17 1cg3 h GLU 138 Ca 0.19 0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.77 1cg3 h GLU 138 Cb 0.09 0.24 -0.13 0.00 0.50 0.00 0.00 28.75 29.45 1cg3 h GLU 138 CO -0.02 -0.69 -0.09 -0.44 -1.00 0.00 0.00 179.01 176.77 1cg3 h ASP 139 N -1.10 -0.49 -0.06 1.42 3.45 -1.05 0.64 116.42 119.23 1cg3 h ASP 139 Ca -0.11 0.19 0.01 0.00 0.43 0.00 0.00 57.03 57.55 1cg3 h ASP 139 Cb 0.83 0.38 -0.02 0.00 -0.56 0.00 0.00 39.33 39.96 1cg3 h ASP 139 CO 0.18 -0.20 -0.13 0.50 -1.57 0.00 0.00 179.24 178.03 1cg3 h LYS 140 N 0.05 -0.11 -0.17 3.56 3.64 -1.29 -0.33 116.57 121.92 1cg3 h LYS 140 Ca 0.36 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1cg3 h LYS 140 Cb 0.58 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1cg3 h LYS 140 CO -0.67 -0.07 0.12 -0.24 -2.27 0.00 0.00 179.45 176.32 1cg3 h VAL 141 N -0.11 0.99 0.00 2.00 3.04 -1.08 -0.08 116.25 121.01 1cg3 h VAL 141 Ca 0.01 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1cg3 h VAL 141 Cb 0.15 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.27 1cg3 h VAL 141 CO -0.12 0.02 0.00 0.00 -1.01 0.00 0.00 177.57 176.46 1cg3 n ALA 142 N -2.54 2.29 -2.57 3.17 0.00 0.22 -4.89 120.51 116.20 1cg3 n ALA 142 Ca 0.00 -0.13 -0.17 0.00 0.00 0.00 0.00 53.44 53.15 1cg3 n ALA 142 Cb 0.15 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.27 1cg3 n ALA 142 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1cg3 n LEU 143 N -1.01 -2.07 0.00 0.00 4.77 -0.04 -4.87 117.00 113.78 1cg3 n LEU 143 Ca 0.16 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.02 1cg3 n LEU 143 Cb 0.08 -2.39 0.00 0.00 -2.33 0.00 0.00 43.42 38.78 1cg3 n LEU 143 CO 0.12 0.00 0.04 -2.11 -1.33 0.00 0.00 177.39 174.11 1cg3 n ARG 144 N -2.89 0.00 -2.48 3.23 1.85 -0.83 -5.06 116.66 110.48 1cg3 n ARG 144 Ca -0.14 -0.07 -0.33 0.00 -1.00 0.00 0.00 57.85 56.31 1cg3 n ARG 144 Cb 0.62 -0.49 -0.04 0.00 -1.05 0.00 0.00 32.46 31.51 1cg3 n ARG 144 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1cg3 s GLY 145 N 0.00 2.24 0.16 2.89 0.00 -1.08 -4.86 107.32 106.66 1cg3 s GLY 145 Ca 0.00 0.35 -0.13 0.00 0.00 0.00 0.00 44.72 44.94 1cg3 s GLY 145 CO 0.00 0.64 0.53 1.08 0.00 0.00 0.00 173.10 175.35 1cg3 s LEU 146 N -3.80 4.30 0.40 0.66 2.01 -1.26 -4.89 118.68 116.10 1cg3 s LEU 146 Ca 0.62 1.01 0.07 0.00 0.01 0.00 0.00 54.13 55.84 1cg3 s LEU 146 Cb -0.12 -3.34 -0.08 0.00 0.01 0.00 0.00 46.19 42.66 1cg3 s LEU 146 CO 0.25 0.07 0.01 -0.13 1.01 0.00 0.00 176.35 177.55 1cg3 s ARG 147 N -2.17 1.94 0.21 1.70 0.52 -1.26 0.08 118.95 119.97 1cg3 s ARG 147 Ca 0.40 -2.10 -0.10 0.00 -0.52 0.00 0.00 55.73 53.41 1cg3 s ARG 147 Cb -0.14 -1.63 0.16 0.00 0.52 0.00 0.00 34.95 33.86 1cg3 s ARG 147 CO 0.20 -0.04 1.88 0.28 0.02 0.00 0.00 175.30 177.63 1cg3 h VAL 148 N 1.79 1.20 -0.86 3.52 2.07 -1.02 -2.48 116.25 120.47 1cg3 h VAL 148 Ca -0.44 -0.36 0.17 0.00 0.82 0.00 0.00 66.70 66.90 1cg3 h VAL 148 Cb 1.24 0.09 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 1cg3 h VAL 148 CO 0.80 0.19 0.41 1.23 0.02 0.00 0.00 177.57 180.23 1cg3 h GLY 149 N 1.02 1.43 0.07 2.17 0.00 -1.27 0.05 103.07 106.54 1cg3 h GLY 149 Ca 0.28 -0.22 0.21 0.00 0.00 0.00 0.00 47.33 47.60 1cg3 h GLY 149 CO -0.06 -0.13 0.61 -0.55 0.00 0.00 0.00 176.54 176.42 1cg3 h ASP 150 N 0.53 0.71 0.00 0.19 3.32 -1.72 0.14 116.42 119.59 1cg3 h ASP 150 Ca 0.50 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.65 1cg3 h ASP 150 Cb 0.81 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1cg3 h ASP 150 CO -0.43 0.22 0.07 0.18 -1.72 0.00 0.00 179.24 177.57 1cg3 n LEU 151 N -4.75 0.00 0.13 1.55 4.77 0.00 -1.65 117.00 117.05 1cg3 n LEU 151 Ca 0.24 0.29 0.13 0.00 -0.03 0.00 0.00 56.01 56.63 1cg3 n LEU 151 Cb 0.64 -0.29 0.38 0.00 -2.33 0.00 0.00 43.42 41.83 1cg3 n LEU 151 CO 0.22 -0.29 0.88 -0.26 -1.33 0.00 0.00 177.39 176.60 1cg3 h PHE 152 N 0.00 0.00 -3.26 -1.77 -1.00 -0.85 -3.39 116.94 106.68 1cg3 h PHE 152 Ca 0.00 0.00 -0.56 0.00 2.81 0.00 0.00 57.97 60.22 1cg3 h PHE 152 Cb 0.14 0.00 -0.40 0.00 3.61 0.00 0.00 35.95 39.30 1cg3 h PHE 152 CO 0.00 0.00 -0.76 0.34 -1.61 0.00 0.00 178.31 176.28 1cg3 s ASP 153 N -4.77 3.52 0.24 2.17 3.68 -0.66 -5.04 116.67 115.81 1cg3 s ASP 153 Ca 0.09 -1.23 -0.01 0.00 2.13 0.00 0.00 52.55 53.53 1cg3 s ASP 153 Cb 0.11 -0.78 0.26 0.00 -1.45 0.00 0.00 42.92 41.06 1cg3 s ASP 153 CO 0.59 -0.35 1.64 0.11 0.13 0.00 0.00 175.17 177.29 1cg3 h LYS 154 N 8.15 0.61 0.07 4.34 1.57 -1.80 -1.59 116.57 127.93 1cg3 h LYS 154 Ca -0.15 -0.27 -0.00 0.00 -1.87 0.00 0.00 60.65 58.36 1cg3 h LYS 154 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1cg3 h LYS 154 CO 0.41 0.84 -0.04 0.93 -0.57 0.00 0.00 179.45 181.02 1cg3 h GLU 155 N 0.53 -0.10 -0.81 3.15 5.08 -1.96 -1.67 114.58 118.80 1cg3 h GLU 155 Ca 0.06 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.57 1cg3 h GLU 155 Cb 0.78 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.96 1cg3 h GLU 155 CO 0.06 0.29 0.40 1.15 -1.00 0.00 0.00 179.01 179.91 1cg3 h THR 156 N -0.50 0.74 -0.16 1.13 2.02 -1.94 -0.84 112.91 113.37 1cg3 h THR 156 Ca -0.01 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.00 1cg3 h THR 156 Cb 0.43 0.09 -0.03 0.00 -1.74 0.00 0.00 68.15 66.90 1cg3 h THR 156 CO 0.02 0.11 -0.05 0.15 0.37 0.00 0.00 175.52 176.12 1cg3 h PHE 157 N 0.60 -0.11 -0.35 3.16 3.57 -1.06 -0.67 116.94 122.08 1cg3 h PHE 157 Ca 0.43 0.02 0.06 0.00 3.53 0.00 0.00 57.97 62.01 1cg3 h PHE 157 Cb 0.59 0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1cg3 h PHE 157 CO -0.11 -0.08 0.01 0.00 -2.23 0.00 0.00 178.31 175.90 1cg3 h ALA 158 N 1.14 0.32 0.13 2.41 0.00 -0.24 0.20 119.26 123.22 1cg3 h ALA 158 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1cg3 h ALA 158 Cb 0.14 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1cg3 h ALA 158 CO -0.18 -0.39 -0.31 0.93 0.00 0.00 0.00 179.25 179.30 1cg3 h GLU 159 N 0.11 -0.47 -0.86 0.00 5.08 -0.71 -1.75 114.58 115.98 1cg3 h GLU 159 Ca 0.17 0.03 0.17 0.00 -1.00 0.00 0.00 59.36 58.73 1cg3 h GLU 159 Cb 0.23 0.11 -0.10 0.00 0.50 0.00 0.00 28.75 29.48 1cg3 h GLU 159 CO -0.28 -0.31 0.42 0.87 -1.00 0.00 0.00 179.01 178.71 1cg3 h LYS 160 N -0.49 0.53 -0.70 2.33 1.57 -0.68 -1.59 116.57 117.53 1cg3 h LYS 160 Ca -0.01 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 1cg3 h LYS 160 Cb 0.47 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1cg3 h LYS 160 CO -0.14 0.35 0.16 1.25 -0.57 0.00 0.00 179.45 180.50 1cg3 h LEU 161 N 0.54 1.07 -0.43 2.94 5.85 -0.41 -2.73 115.31 122.15 1cg3 h LEU 161 Ca 0.50 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.98 1cg3 h LEU 161 Cb 0.80 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1cg3 h LEU 161 CO -0.42 1.03 0.26 0.50 -0.34 0.00 0.00 178.44 179.48 1cg3 h LYS 162 N 1.07 0.58 0.35 1.25 1.63 -0.37 -1.01 116.57 120.06 1cg3 h LYS 162 Ca 0.22 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 1cg3 h LYS 162 Cb 0.39 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 1cg3 h LYS 162 CO 0.00 0.43 -0.23 0.93 -3.45 0.00 0.00 179.45 177.13 1cg3 h GLU 163 N 0.57 -0.53 -0.75 1.90 5.08 -1.45 0.16 114.58 119.57 1cg3 h GLU 163 Ca 0.16 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.71 1cg3 h GLU 163 Cb -0.01 0.12 -0.11 0.00 0.50 0.00 0.00 28.75 29.26 1cg3 h GLU 163 CO -0.03 -0.35 0.22 -0.24 -1.00 0.00 0.00 179.01 177.61 1cg3 h VAL 164 N -0.55 0.55 -0.34 3.13 3.04 -1.49 0.05 116.25 120.65 1cg3 h VAL 164 Ca -0.05 -0.11 -0.07 0.00 -1.01 0.00 0.00 66.70 65.46 1cg3 h VAL 164 Cb 0.44 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 29.91 1cg3 h VAL 164 CO 0.03 0.06 -0.10 0.24 -1.01 0.00 0.00 177.57 176.79 1cg3 h MET 165 N 0.32 0.57 -0.35 4.17 2.86 -1.06 0.15 114.93 121.59 1cg3 h MET 165 Ca 0.42 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1cg3 h MET 165 Cb 0.71 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.29 1cg3 h MET 165 CO -0.48 0.67 0.20 0.93 1.06 0.00 0.00 176.91 179.29 1cg3 h GLU 166 N 0.53 0.49 0.10 1.72 5.08 0.11 0.18 114.58 122.79 1cg3 h GLU 166 Ca 0.10 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 1cg3 h GLU 166 Cb 0.50 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.61 1cg3 h GLU 166 CO 0.03 0.39 -0.25 -0.92 -1.00 0.00 0.00 179.01 177.26 1cg3 h TYR 167 N 0.45 -0.68 -0.58 4.33 3.20 -0.42 -1.27 116.97 121.99 1cg3 h TYR 167 Ca 0.13 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 1cg3 h TYR 167 Cb 0.04 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 1cg3 h TYR 167 CO -0.03 -0.36 0.13 0.45 -1.64 0.00 0.00 178.16 176.71 1cg3 h HIS 168 N -0.45 0.99 -0.46 -3.82 3.86 -0.48 -3.03 115.15 111.76 1cg3 h HIS 168 Ca 0.03 -0.12 -0.05 0.00 -1.16 0.00 0.00 60.37 59.07 1cg3 h HIS 168 Cb 0.49 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1cg3 h HIS 168 CO -0.24 0.85 0.07 -0.91 0.86 0.00 0.00 177.93 178.56 1cg3 h ASN 169 N 0.85 0.68 0.48 2.45 2.35 -0.51 -0.87 115.58 121.00 1cg3 h ASN 169 Ca 0.18 -0.13 -0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1cg3 h ASN 169 Cb 0.37 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 1cg3 h ASN 169 CO 0.00 0.70 -0.34 0.15 -1.65 0.00 0.00 177.43 176.29 1cg3 h PHE 170 N 0.69 -0.91 -0.09 1.19 3.57 -1.11 -0.06 116.94 120.21 1cg3 h PHE 170 Ca 0.15 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 1cg3 h PHE 170 Cb 0.33 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 1cg3 h PHE 170 CO 0.02 -0.51 -0.25 -0.56 -2.23 0.00 0.00 178.31 174.78 1cg3 h GLN 171 N -0.80 0.16 -0.35 1.11 3.07 -1.46 0.03 115.11 116.86 1cg3 h GLN 171 Ca -0.05 -0.05 -0.05 0.00 0.09 0.00 0.00 58.65 58.59 1cg3 h GLN 171 Cb 0.68 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.21 1cg3 h GLN 171 CO 0.02 0.40 0.03 -0.07 0.09 0.00 0.00 178.83 179.30 1cg3 h LEU 172 N 0.14 0.58 0.00 0.06 3.38 -0.77 0.11 115.31 118.81 1cg3 h LEU 172 Ca 0.02 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1cg3 h LEU 172 Cb 0.52 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1cg3 h LEU 172 CO 0.04 0.72 -0.53 -0.37 0.09 0.00 0.00 178.44 178.39 1cg3 h VAL 173 N 0.43 1.13 -0.04 1.22 -1.51 -0.89 0.74 116.25 117.33 1cg3 h VAL 173 Ca 0.10 -2.04 -0.02 0.00 -1.23 0.00 0.00 66.70 63.52 1cg3 h VAL 173 Cb 0.40 2.32 -0.00 0.00 -2.13 0.00 0.00 31.29 31.88 1cg3 h VAL 173 CO 0.01 0.38 -0.04 0.78 -1.23 0.00 0.00 177.57 177.48 1cg3 h ASN 174 N -1.00 0.11 0.00 4.19 2.35 -1.12 -0.71 115.58 119.39 1cg3 h ASN 174 Ca -0.13 -0.47 -0.07 0.00 -0.55 0.00 0.00 56.30 55.07 1cg3 h ASN 174 Cb 0.98 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 39.30 1cg3 h ASN 174 CO -0.08 0.56 -0.46 0.22 -1.65 0.00 0.00 177.43 176.02 1cg3 h TYR 175 N -0.34 0.00 0.00 1.19 5.03 -1.43 -3.38 116.97 118.05 1cg3 h TYR 175 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1cg3 h TYR 175 Cb 0.52 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.80 1cg3 h TYR 175 CO 0.09 0.86 -0.05 1.88 -1.32 0.00 0.00 178.16 179.62 1cg3 h TYR 176 N -1.00 0.00 -3.36 -3.82 -1.99 -0.85 -3.48 116.97 102.48 1cg3 h TYR 176 Ca -0.11 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.32 1cg3 h TYR 176 Cb 0.87 0.00 0.04 0.00 2.00 0.00 0.00 36.73 39.64 1cg3 h TYR 176 CO 0.11 0.00 -0.44 1.63 -0.00 0.00 0.00 178.16 179.46 1cg3 n LYS 177 N -2.85 -3.52 -4.04 4.88 4.76 -0.27 -4.96 118.16 112.15 1cg3 n LYS 177 Ca 0.04 0.67 -0.23 0.00 -2.87 0.00 0.00 58.31 55.92 1cg3 n LYS 177 Cb 0.50 -5.03 -0.06 0.00 -1.84 0.00 0.00 35.03 28.60 1cg3 n LYS 177 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1cg3 s ALA 178 N -3.00 3.61 0.36 7.82 0.00 0.25 -4.96 121.76 125.84 1cg3 s ALA 178 Ca 0.21 -1.96 -0.25 0.00 0.00 0.00 0.00 51.96 49.96 1cg3 s ALA 178 Cb -0.09 -0.62 -0.09 0.00 0.00 0.00 0.00 23.12 22.32 1cg3 s ALA 178 CO 0.27 -0.09 1.02 -1.83 0.00 0.00 0.00 175.76 175.13 1cg3 s GLU 179 N -3.91 4.37 0.54 0.00 -1.05 -1.26 -3.27 118.70 114.12 1cg3 s GLU 179 Ca 0.41 1.47 -0.18 0.00 -0.15 0.00 0.00 54.97 56.52 1cg3 s GLU 179 Cb 0.00 -2.70 -0.06 0.00 -0.44 0.00 0.00 34.13 30.93 1cg3 s GLU 179 CO 0.23 0.05 1.06 0.00 0.95 0.00 0.00 175.26 177.55 1cg3 s ALA 180 N -1.60 2.79 -0.22 -0.84 0.00 -1.26 -4.80 121.76 115.83 1cg3 s ALA 180 Ca 0.54 0.56 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 1cg3 s ALA 180 Cb -0.22 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1cg3 s ALA 180 CO 0.28 -0.59 0.22 0.08 0.00 0.00 0.00 175.76 175.75 1cg3 s VAL 181 N -2.13 5.32 0.01 0.00 1.01 -1.26 -5.04 120.40 118.32 1cg3 s VAL 181 Ca 0.67 0.33 -0.30 0.00 0.00 0.00 0.00 61.98 62.67 1cg3 s VAL 181 Cb -0.17 -3.56 -0.06 0.00 0.00 0.00 0.00 36.38 32.58 1cg3 s VAL 181 CO 0.28 0.34 1.54 -0.62 0.00 0.00 0.00 175.10 176.63 1cg3 s ASP 182 N 0.94 6.73 0.10 3.32 -1.08 -1.26 -4.95 116.67 120.46 1cg3 s ASP 182 Ca 0.11 2.26 -0.29 0.00 -0.52 0.00 0.00 52.55 54.11 1cg3 s ASP 182 Cb -0.13 -2.56 -0.12 0.00 -1.46 0.00 0.00 42.92 38.65 1cg3 s ASP 182 CO 0.04 -0.82 1.64 0.22 0.52 0.00 0.00 175.17 176.77 1cg3 h TYR 183 N 8.37 -0.70 -0.99 -5.34 3.20 -1.97 -2.59 116.97 116.94 1cg3 h TYR 183 Ca -0.39 0.00 0.12 0.00 3.14 0.00 0.00 58.73 61.59 1cg3 h TYR 183 Cb 1.18 0.27 -0.08 0.00 1.54 0.00 0.00 36.73 39.64 1cg3 h TYR 183 CO 0.79 -0.39 0.63 0.37 -1.64 0.00 0.00 178.16 177.92 1cg3 h GLN 184 N -0.57 0.96 0.23 1.82 5.75 -1.99 -0.85 115.11 120.46 1cg3 h GLN 184 Ca -0.01 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1cg3 h GLN 184 Cb 0.52 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.85 1cg3 h GLN 184 CO -0.05 0.64 -0.11 -0.22 -2.65 0.00 0.00 178.83 176.44 1cg3 h LYS 185 N 0.99 -0.29 -0.60 1.69 3.11 -1.93 0.59 116.57 120.12 1cg3 h LYS 185 Ca 0.49 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 58.43 1cg3 h LYS 185 Cb 0.47 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 31.70 1cg3 h LYS 185 CO -0.25 -0.02 0.24 0.28 -2.81 0.00 0.00 179.45 176.89 1cg3 h VAL 186 N -0.55 0.80 -0.01 2.00 2.07 -1.06 0.23 116.25 119.72 1cg3 h VAL 186 Ca -0.03 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 1cg3 h VAL 186 Cb 0.41 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1cg3 h VAL 186 CO 0.05 0.08 0.01 0.25 0.02 0.00 0.00 177.57 177.98 1cg3 h LEU 187 N 0.43 0.01 0.21 2.57 5.85 -1.03 -0.30 115.31 123.05 1cg3 h LEU 187 Ca 0.30 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1cg3 h LEU 187 Cb 0.34 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1cg3 h LEU 187 CO -0.28 0.08 -0.14 0.44 -0.34 0.00 0.00 178.44 178.20 1cg3 h ASP 188 N -0.05 -0.36 -0.17 1.25 3.45 -0.15 0.31 116.42 120.70 1cg3 h ASP 188 Ca 0.00 0.03 0.05 0.00 0.43 0.00 0.00 57.03 57.54 1cg3 h ASP 188 Cb 0.07 0.11 -0.07 0.00 -0.56 0.00 0.00 39.33 38.89 1cg3 h ASP 188 CO -0.00 -0.23 -0.30 0.44 -1.57 0.00 0.00 179.24 177.58 1cg3 h ASP 189 N -0.35 -0.95 -0.08 6.45 3.45 -0.51 -1.59 116.42 122.83 1cg3 h ASP 189 Ca -0.02 0.15 -0.00 0.00 0.43 0.00 0.00 57.03 57.59 1cg3 h ASP 189 Cb 0.30 0.41 -0.00 0.00 -0.56 0.00 0.00 39.33 39.48 1cg3 h ASP 189 CO 0.01 -0.34 0.04 0.74 -1.57 0.00 0.00 179.24 178.13 1cg3 h THR 190 N -0.35 1.08 -0.00 0.35 2.02 -0.84 -2.61 112.91 112.56 1cg3 h THR 190 Ca 0.11 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 67.05 1cg3 h THR 190 Cb 0.52 1.09 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1cg3 h THR 190 CO -0.37 0.07 0.01 0.24 0.37 0.00 0.00 175.52 175.84 1cg3 h MET 191 N 0.04 0.00 -0.36 6.66 2.86 -0.06 -2.13 114.93 121.94 1cg3 h MET 191 Ca 0.03 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 1cg3 h MET 191 Cb 0.08 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.72 1cg3 h MET 191 CO -0.00 0.00 -0.08 0.00 1.06 0.00 0.00 176.91 177.89 1cg3 h ALA 192 N 1.98 1.20 -0.09 6.32 0.00 -0.89 -3.17 119.26 124.62 1cg3 h ALA 192 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cg3 h ALA 192 Cb 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1cg3 h ALA 192 CO -0.00 0.52 0.00 1.33 0.00 0.00 0.00 179.25 181.10 1cg3 n VAL 193 N -4.21 0.20 -0.29 0.00 0.24 -0.90 -4.70 118.33 108.68 1cg3 n VAL 193 Ca 0.01 -0.60 0.01 0.00 -2.04 0.00 0.00 64.34 61.72 1cg3 n VAL 193 Cb 0.31 1.12 0.07 0.00 -1.47 0.00 0.00 33.84 33.87 1cg3 n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cg3 h ALA 194 N 2.53 0.36 -0.80 2.33 0.00 -1.37 -1.18 119.26 121.12 1cg3 h ALA 194 Ca 0.00 0.28 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1cg3 h ALA 194 Cb 0.59 0.72 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1cg3 h ALA 194 CO 0.00 -0.50 0.52 -0.44 0.00 0.00 0.00 179.25 178.84 1cg3 h ASP 195 N -0.04 0.89 -0.02 0.00 3.45 -1.84 -0.27 116.42 118.59 1cg3 h ASP 195 Ca 0.35 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.80 1cg3 h ASP 195 Cb 0.59 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.15 1cg3 h ASP 195 CO -0.84 0.63 0.01 0.40 -1.57 0.00 0.00 179.24 177.88 1cg3 h ILE 196 N 1.05 1.05 0.52 0.35 2.04 -1.56 -1.02 117.51 119.93 1cg3 h ILE 196 Ca 0.31 -0.14 -0.02 0.00 1.00 0.00 0.00 64.86 66.01 1cg3 h ILE 196 Cb -0.06 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1cg3 h ILE 196 CO -0.09 0.04 -0.40 -0.07 0.00 0.00 0.00 178.15 177.63 1cg3 h LEU 197 N -0.02 -1.05 -1.23 1.44 3.38 -1.17 -2.47 115.31 114.18 1cg3 h LEU 197 Ca 0.01 0.07 0.39 0.00 0.09 0.00 0.00 57.88 58.44 1cg3 h LEU 197 Cb 0.05 0.33 -0.14 0.00 0.09 0.00 0.00 40.66 40.99 1cg3 h LEU 197 CO -0.00 -0.57 0.71 0.74 0.09 0.00 0.00 178.44 179.41 1cg3 h THR 198 N -0.89 0.18 0.00 0.22 2.02 -1.00 0.40 112.91 113.84 1cg3 h THR 198 Ca -0.07 -0.05 -0.00 0.00 0.77 0.00 0.00 66.41 67.06 1cg3 h THR 198 Cb 0.74 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1cg3 h THR 198 CO 0.02 0.03 -0.01 0.77 0.37 0.00 0.00 175.52 176.70 1cg3 h SER 199 N 0.15 0.00 -0.61 4.18 4.64 -0.69 -2.44 113.55 118.79 1cg3 h SER 199 Ca 0.79 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.11 1cg3 h SER 199 Cb 2.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.30 1cg3 h SER 199 CO -0.52 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 175.68 1cg3 n MET 200 N -3.11 2.65 -2.34 4.77 2.00 0.14 -4.97 117.12 116.26 1cg3 n MET 200 Ca -0.01 -2.54 -0.41 0.00 0.00 0.00 0.00 57.70 54.74 1cg3 n MET 200 Cb 0.20 -1.56 -0.03 0.00 0.00 0.00 0.00 33.22 31.83 1cg3 n MET 200 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1cg3 s VAL 201 N -1.19 3.36 0.04 2.03 1.01 -0.92 0.78 120.40 125.51 1cg3 s VAL 201 Ca 0.46 1.24 -0.06 0.00 0.00 0.00 0.00 61.98 63.61 1cg3 s VAL 201 Cb 0.25 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1cg3 s VAL 201 CO 0.33 0.24 0.12 0.54 0.00 0.00 0.00 175.10 176.33 1cg3 s VAL 202 N -0.55 0.12 -1.18 2.92 0.11 -0.43 -4.84 120.40 116.55 1cg3 s VAL 202 Ca 0.50 -1.02 -0.20 0.00 -2.93 0.00 0.00 61.98 58.33 1cg3 s VAL 202 Cb -0.34 -0.87 0.07 0.00 -1.53 0.00 0.00 36.38 33.71 1cg3 s VAL 202 CO 0.41 -0.56 1.60 -0.62 -3.33 0.00 0.00 175.10 172.59 1cg3 s ASP 203 N -2.07 6.72 0.22 3.54 3.68 -1.26 -4.42 116.67 123.08 1cg3 s ASP 203 Ca -0.06 -2.08 -0.14 0.00 2.13 0.00 0.00 52.55 52.40 1cg3 s ASP 203 Cb -0.02 -2.56 0.25 0.00 -1.45 0.00 0.00 42.92 39.14 1cg3 s ASP 203 CO -0.04 -1.28 1.61 0.58 0.13 0.00 0.00 175.17 176.17 1cg3 h VAL 204 N 6.00 0.29 -0.47 1.11 2.07 -1.90 -0.40 116.25 122.95 1cg3 h VAL 204 Ca 0.34 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.80 1cg3 h VAL 204 Cb 0.93 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1cg3 h VAL 204 CO 1.43 0.00 0.05 0.77 0.02 0.00 0.00 177.57 179.84 1cg3 h SER 205 N -0.02 0.70 -0.02 0.57 4.64 -1.87 0.65 113.55 118.20 1cg3 h SER 205 Ca 0.32 -0.14 -0.18 0.00 -0.47 0.00 0.00 61.79 61.32 1cg3 h SER 205 Cb 0.51 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1cg3 h SER 205 CO -0.71 0.74 -0.61 -0.78 -0.87 0.00 0.00 176.83 174.60 1cg3 h ASP 206 N 0.71 0.71 0.41 4.97 1.82 -1.73 -2.24 116.42 121.07 1cg3 h ASP 206 Ca 0.15 -0.41 -0.02 0.00 -0.39 0.00 0.00 57.03 56.36 1cg3 h ASP 206 Cb 0.36 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.17 1cg3 h ASP 206 CO 0.01 1.15 -0.19 0.25 -1.61 0.00 0.00 179.24 178.85 1cg3 h LEU 207 N 0.47 -0.46 -1.36 2.28 6.46 -0.59 -1.21 115.31 120.89 1cg3 h LEU 207 Ca -0.01 -0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 1cg3 h LEU 207 Cb 1.19 0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 41.19 1cg3 h LEU 207 CO 0.12 -0.30 0.47 -0.07 -0.62 0.00 0.00 178.44 178.05 1cg3 h LEU 208 N -0.59 0.69 -0.27 2.25 3.38 -0.91 0.46 115.31 120.33 1cg3 h LEU 208 Ca -0.06 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1cg3 h LEU 208 Cb 0.44 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1cg3 h LEU 208 CO 0.09 0.46 0.16 -0.78 0.09 0.00 0.00 178.44 178.46 1cg3 h ASP 209 N 0.79 0.33 -0.25 -0.43 -0.00 -1.09 0.77 116.42 116.55 1cg3 h ASP 209 Ca 0.30 -0.06 -0.01 0.00 -0.00 0.00 0.00 57.03 57.26 1cg3 h ASP 209 Cb 0.19 -0.08 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 1cg3 h ASP 209 CO -0.10 0.30 0.10 1.56 -0.00 0.00 0.00 179.24 181.10 1cg3 h GLN 210 N 0.34 0.37 -0.73 0.28 4.20 0.05 -1.26 115.11 118.35 1cg3 h GLN 210 Ca 0.10 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.81 1cg3 h GLN 210 Cb 0.03 -0.06 -0.06 0.00 0.30 0.00 0.00 27.48 27.69 1cg3 h GLN 210 CO -0.02 0.41 0.41 0.00 -0.67 0.00 0.00 178.83 178.96 1cg3 h ALA 211 N 0.94 1.00 0.42 3.87 0.00 0.07 -2.46 119.26 123.10 1cg3 h ALA 211 Ca 0.08 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1cg3 h ALA 211 Cb 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1cg3 h ALA 211 CO -0.01 0.06 -0.20 -0.09 0.00 0.00 0.00 179.25 179.01 1cg3 h ARG 212 N 0.72 -0.55 -0.04 0.00 2.43 -0.43 -1.12 114.38 115.39 1cg3 h ARG 212 Ca 0.34 0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.56 1cg3 h ARG 212 Cb 0.26 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.93 1cg3 h ARG 212 CO -0.21 -0.34 0.21 1.96 -1.51 0.00 0.00 179.97 180.08 1cg3 h GLN 213 N -0.61 0.00 0.00 0.20 4.20 -0.90 0.23 115.11 118.24 1cg3 h GLN 213 Ca -0.06 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1cg3 h GLN 213 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1cg3 h GLN 213 CO 0.10 0.00 -0.85 0.54 -0.67 0.00 0.00 178.83 177.94 1cg3 n ARG 214 N -3.10 0.17 -0.82 1.46 1.74 -0.96 -4.96 116.66 110.17 1cg3 n ARG 214 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1cg3 n ARG 214 Cb 0.28 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 1cg3 n ARG 214 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1cg3 n GLY 215 N 1.42 0.54 3.72 -0.13 0.00 0.81 -5.01 105.19 106.54 1cg3 n GLY 215 Ca 0.03 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 1cg3 n GLY 215 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1cg3 n ASP 216 N 0.81 2.25 -4.66 1.61 8.00 -0.49 -4.93 116.55 119.14 1cg3 n ASP 216 Ca 0.00 0.92 -0.42 0.00 0.71 0.00 0.00 54.79 56.00 1cg3 n ASP 216 Cb 0.00 -1.54 -0.03 0.00 -0.02 0.00 0.00 41.12 39.53 1cg3 n ASP 216 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1cg3 s PHE 217 N -1.34 3.39 -0.03 1.24 0.40 -1.26 -4.70 117.98 115.69 1cg3 s PHE 217 Ca 0.75 1.33 0.07 0.00 -0.60 0.00 0.00 56.93 58.48 1cg3 s PHE 217 Cb -0.41 -3.11 -0.02 0.00 0.51 0.00 0.00 43.02 39.99 1cg3 s PHE 217 CO 0.47 -0.33 -0.24 0.08 0.70 0.00 0.00 175.22 175.91 1cg3 s VAL 218 N 2.51 2.24 -0.07 -0.44 1.01 0.14 -0.44 120.40 125.35 1cg3 s VAL 218 Ca 0.40 -1.04 0.05 0.00 0.00 0.00 0.00 61.98 61.40 1cg3 s VAL 218 Cb -0.16 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 1cg3 s VAL 218 CO 0.11 0.58 -0.23 -0.32 0.00 0.00 0.00 175.10 175.24 1cg3 s MET 219 N -0.61 2.58 -0.19 2.72 1.75 -0.21 -1.64 119.30 123.70 1cg3 s MET 219 Ca 0.09 -0.83 -0.07 0.00 -1.25 0.00 0.00 55.69 53.63 1cg3 s MET 219 Cb -0.10 -2.09 -0.04 0.00 2.84 0.00 0.00 34.83 35.44 1cg3 s MET 219 CO -0.00 0.27 0.06 -0.06 -0.65 0.00 0.00 175.02 174.64 1cg3 s PHE 220 N 0.09 3.22 -0.31 4.11 0.40 -0.21 0.96 117.98 126.24 1cg3 s PHE 220 Ca -0.10 0.01 -0.09 0.00 -0.60 0.00 0.00 56.93 56.15 1cg3 s PHE 220 Cb -0.15 -2.09 -0.01 0.00 0.51 0.00 0.00 43.02 41.28 1cg3 s PHE 220 CO 0.05 0.09 0.15 -2.00 0.70 0.00 0.00 175.22 174.21 1cg3 s GLU 221 N 0.51 3.32 0.76 0.44 2.12 0.17 -0.85 118.70 125.17 1cg3 s GLU 221 Ca 0.03 -0.73 -0.11 0.00 0.36 0.00 0.00 54.97 54.52 1cg3 s GLU 221 Cb -0.13 -3.55 0.05 0.00 0.26 0.00 0.00 34.13 30.76 1cg3 s GLU 221 CO 0.01 -0.42 1.09 0.20 -0.54 0.00 0.00 175.26 175.61 1cg3 s GLY 222 N 1.60 1.63 0.11 -1.50 0.00 0.23 -4.07 107.32 105.33 1cg3 s GLY 222 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 44.72 44.59 1cg3 s GLY 222 CO 0.06 0.18 -0.11 0.00 0.00 0.00 0.00 173.10 173.23 1cg3 s ALA 223 N -3.20 1.25 0.00 3.20 0.00 -1.26 -4.87 121.76 116.89 1cg3 s ALA 223 Ca 0.60 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1cg3 s ALA 223 Cb -0.13 0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1cg3 s ALA 223 CO 0.54 -0.00 0.00 1.04 0.00 0.00 0.00 175.76 177.33 1cg3 n GLN 224 N 0.48 0.00 -4.08 0.00 3.00 -1.26 -4.75 117.38 110.77 1cg3 n GLN 224 Ca -0.15 0.00 -0.07 0.00 -0.01 0.00 0.00 57.00 56.76 1cg3 n GLN 224 Cb 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 30.24 30.72 1cg3 n GLN 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1cg3 s GLY 225 N -3.05 0.44 0.27 1.08 0.00 -1.26 -3.81 107.32 100.99 1cg3 s GLY 225 Ca 0.00 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.50 1cg3 s GLY 225 CO 0.00 -1.23 1.57 -0.84 0.00 0.00 0.00 173.10 172.60 1cg3 h THR 226 N 3.35 0.04 0.00 0.90 2.02 -0.54 0.13 112.91 118.82 1cg3 h THR 226 Ca -0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1cg3 h THR 226 Cb 1.15 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1cg3 h THR 226 CO 0.63 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.70 1cg3 n LEU 227 N -5.60 0.00 -0.92 2.58 4.77 0.10 -1.29 117.00 116.64 1cg3 n LEU 227 Ca 0.15 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.23 1cg3 n LEU 227 Cb 0.47 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.70 1cg3 n LEU 227 CO -0.10 0.00 0.62 0.18 -1.33 0.00 0.00 177.39 176.76 1cg3 n LEU 228 N -0.81 2.97 -4.72 2.23 4.77 0.46 -1.87 117.00 120.04 1cg3 n LEU 228 Ca 0.09 -1.23 -0.43 0.00 -0.03 0.00 0.00 56.01 54.42 1cg3 n LEU 228 Cb 0.04 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1cg3 n LEU 228 CO 0.07 0.57 1.25 -0.67 -1.33 0.00 0.00 177.39 177.28 1cg3 n ASP 229 N 1.23 3.71 -0.32 -1.43 2.03 -0.41 -1.20 116.55 120.15 1cg3 n ASP 229 Ca 0.14 1.12 0.06 0.00 0.52 0.00 0.00 54.79 56.63 1cg3 n ASP 229 Cb 0.54 -1.55 0.21 0.00 -0.72 0.00 0.00 41.12 39.59 1cg3 n ASP 229 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1cg3 h ILE 230 N 3.47 0.87 0.00 5.18 6.09 -1.39 0.39 117.51 132.12 1cg3 h ILE 230 Ca -0.45 -0.29 -0.13 0.00 -1.37 0.00 0.00 64.86 62.62 1cg3 h ILE 230 Cb 1.23 -0.04 -0.02 0.00 0.47 0.00 0.00 36.82 38.46 1cg3 h ILE 230 CO 0.85 0.15 -0.80 0.44 -3.07 0.00 0.00 178.15 175.72 1cg3 h ASP 231 N 0.83 0.00 0.53 2.19 3.32 -1.91 -3.41 116.42 117.98 1cg3 h ASP 231 Ca 0.45 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1cg3 h ASP 231 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.04 1cg3 h ASP 231 CO -0.28 1.18 -0.64 1.41 -1.72 0.00 0.00 179.24 179.19 1cg3 n HIS 232 N -4.53 0.15 -1.01 4.55 8.25 -1.23 -4.94 115.22 116.47 1cg3 n HIS 232 Ca -0.21 0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 1cg3 n HIS 232 Cb 0.51 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 31.27 1cg3 n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1cg3 n GLY 233 N 1.45 -0.86 2.59 -1.41 0.00 0.14 -4.86 105.19 102.23 1cg3 n GLY 233 Ca 0.04 -1.70 -0.40 0.00 0.00 0.00 0.00 46.02 43.97 1cg3 n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1cg3 n THR 234 N -1.66 3.63 -1.68 2.61 -2.24 -0.78 -4.48 114.28 109.68 1cg3 n THR 234 Ca 0.00 -2.67 -0.44 0.00 -2.27 0.00 0.00 64.05 58.67 1cg3 n THR 234 Cb 0.00 -2.57 -0.02 0.00 -2.10 0.00 0.00 70.33 65.64 1cg3 n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1cg3 n TYR 235 N 5.12 2.17 1.33 4.78 4.19 -1.26 0.00 117.16 133.49 1cg3 n TYR 235 Ca 0.62 0.49 0.07 0.00 3.31 0.00 0.00 57.90 62.39 1cg3 n TYR 235 Cb 0.32 -2.43 0.25 0.00 0.49 0.00 0.00 39.34 37.96 1cg3 n TYR 235 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1cg3 n PRO 236 N 1.35 1.54 -2.75 2.98 -0.04 -1.26 -0.96 135.00 135.85 1cg3 n PRO 236 Ca 0.09 -0.82 -0.44 0.00 -0.04 0.00 0.00 63.50 62.29 1cg3 n PRO 236 Cb 0.33 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 1cg3 n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1cg3 n TYR 237 N 0.11 4.62 -3.93 0.54 4.01 0.10 -4.85 117.16 117.76 1cg3 n TYR 237 Ca 0.11 -3.16 -0.12 0.00 -0.16 0.00 0.00 57.90 54.57 1cg3 n TYR 237 Cb 0.22 -2.28 -0.00 0.00 -0.31 0.00 0.00 39.34 36.98 1cg3 n TYR 237 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1cg3 s VAL 238 N 2.08 0.00 0.28 -0.72 -7.23 -1.26 -4.23 120.40 109.31 1cg3 s VAL 238 Ca 0.45 -1.27 0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1cg3 s VAL 238 Cb 0.01 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 34.07 1cg3 s VAL 238 CO 0.02 0.00 0.33 0.28 -0.31 0.00 0.00 175.10 175.42 1cg3 s THR 239 N -2.47 4.55 -0.20 5.32 -1.32 -0.34 -5.02 115.64 116.17 1cg3 s THR 239 Ca 0.23 -1.15 0.01 0.00 -1.21 0.00 0.00 61.69 59.57 1cg3 s THR 239 Cb -0.03 -3.55 0.15 0.00 -1.51 0.00 0.00 72.50 67.56 1cg3 s THR 239 CO 0.16 -0.28 1.14 -1.20 -2.21 0.00 0.00 174.62 172.24 1cg3 n SER 240 N -1.39 3.01 -4.15 8.08 7.64 -1.26 -3.36 113.62 122.19 1cg3 n SER 240 Ca -0.06 -2.33 -0.10 0.00 1.01 0.00 0.00 58.87 57.39 1cg3 n SER 240 Cb 0.58 -0.57 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 1cg3 n SER 240 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1cg3 s SER 241 N 0.41 0.25 -0.60 6.43 1.04 -1.26 -4.90 113.70 115.06 1cg3 s SER 241 Ca 0.12 -1.22 -0.26 0.00 0.48 0.00 0.00 55.95 55.07 1cg3 s SER 241 Cb 0.10 0.33 0.04 0.00 0.10 0.00 0.00 66.02 66.59 1cg3 s SER 241 CO 0.03 -0.77 1.07 0.20 0.98 0.00 0.00 173.24 174.75 1cg3 s ASN 242 N -3.07 6.32 0.00 7.02 -0.87 -1.26 -1.95 114.94 121.13 1cg3 s ASN 242 Ca 0.27 -0.32 0.28 0.00 -1.57 0.00 0.00 52.86 51.52 1cg3 s ASN 242 Cb 0.07 -2.49 1.05 0.00 -0.02 0.00 0.00 41.25 39.86 1cg3 s ASN 242 CO 0.04 -1.43 1.78 0.35 -2.57 0.00 0.00 177.10 175.27 1cg3 n THR 243 N 6.33 0.00 -2.35 1.60 -2.24 -1.26 -4.23 114.28 112.13 1cg3 n THR 243 Ca 0.03 -0.01 -0.32 0.00 -2.27 0.00 0.00 64.05 61.48 1cg3 n THR 243 Cb 0.48 -0.23 -0.03 0.00 -2.10 0.00 0.00 70.33 68.45 1cg3 n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1cg3 s THR 244 N -2.90 4.51 0.55 4.28 -4.23 -1.26 -4.57 115.64 112.02 1cg3 s THR 244 Ca 0.16 1.18 0.41 0.00 -1.18 0.00 0.00 61.69 62.27 1cg3 s THR 244 Cb 0.19 -3.71 0.61 0.00 1.34 0.00 0.00 72.50 70.92 1cg3 s THR 244 CO 0.57 -0.71 1.42 0.00 -0.54 0.00 0.00 174.62 175.36 1cg3 n ALA 245 N -1.68 1.56 0.31 3.99 0.00 -1.26 -0.26 120.51 123.17 1cg3 n ALA 245 Ca 0.07 0.54 0.20 0.00 0.00 0.00 0.00 53.44 54.24 1cg3 n ALA 245 Cb 0.54 -0.93 1.02 0.00 0.00 0.00 0.00 19.45 20.07 1cg3 n ALA 245 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1cg3 h GLY 246 N 0.00 0.00 2.00 0.00 0.00 -1.90 -2.01 103.07 101.16 1cg3 h GLY 246 Ca 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1cg3 h GLY 246 CO -0.01 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.20 1cg3 h GLY 247 N 0.62 0.00 0.97 4.60 0.00 -0.81 -2.95 103.07 105.50 1cg3 h GLY 247 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1cg3 h GLY 247 CO 0.00 0.00 -0.12 -2.08 0.00 0.00 0.00 176.54 174.34 1cg3 h VAL 248 N 0.00 0.76 0.05 4.60 2.07 -1.56 0.40 116.25 122.56 1cg3 h VAL 248 Ca 0.00 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1cg3 h VAL 248 Cb 0.56 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1cg3 h VAL 248 CO 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 177.57 177.58 1cg3 h ALA 249 N 0.36 -0.07 -0.29 1.67 0.00 -1.72 -0.99 119.26 118.23 1cg3 h ALA 249 Ca -0.03 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1cg3 h ALA 249 Cb 0.29 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1cg3 h ALA 249 CO 0.06 -0.38 0.18 1.79 0.00 0.00 0.00 179.25 180.90 1cg3 h THR 250 N -0.38 1.09 0.00 0.00 1.35 -1.51 -1.46 112.91 111.99 1cg3 h THR 250 Ca -0.01 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1cg3 h THR 250 Cb 0.34 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1cg3 h THR 250 CO 0.01 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 175.98 1cg3 n GLY 251 N -1.11 -1.07 0.00 5.82 0.00 0.14 -4.22 105.19 104.74 1cg3 n GLY 251 Ca -0.02 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1cg3 n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1cg3 n SER 252 N -1.08 2.90 0.00 1.61 3.41 -0.38 -1.20 113.62 118.88 1cg3 n SER 252 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1cg3 n SER 252 Cb 0.15 0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1cg3 n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cg3 n GLY 253 N 2.25 0.48 3.74 5.00 0.00 -0.56 -3.72 105.19 112.38 1cg3 n GLY 253 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1cg3 n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1cg3 s LEU 254 N 0.00 4.53 0.19 0.99 2.96 -1.26 -4.80 118.68 121.30 1cg3 s LEU 254 Ca 0.00 1.78 -0.32 0.00 -0.22 0.00 0.00 54.13 55.37 1cg3 s LEU 254 Cb 0.00 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 43.04 1cg3 s LEU 254 CO 0.00 0.01 1.71 -0.83 -1.32 0.00 0.00 176.35 175.92 1cg3 s GLY 255 N -0.34 1.26 0.35 7.98 0.00 -1.26 -4.37 107.32 110.94 1cg3 s GLY 255 Ca 0.44 1.55 0.17 0.00 0.00 0.00 0.00 44.72 46.88 1cg3 s GLY 255 CO 0.29 2.87 1.61 -0.56 0.00 0.00 0.00 173.10 177.32 1cg3 h PRO 256 N 6.97 0.12 0.00 2.90 0.13 -1.94 0.20 132.00 140.38 1cg3 h PRO 256 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1cg3 h PRO 256 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1cg3 h PRO 256 CO 0.95 0.08 0.00 0.54 -0.23 0.00 0.00 178.00 179.34 1cg3 n ARG 257 N -5.20 0.01 -0.23 0.86 1.74 -1.26 -2.71 116.66 109.87 1cg3 n ARG 257 Ca 0.34 0.38 0.09 0.00 -0.77 0.00 0.00 57.85 57.89 1cg3 n ARG 257 Cb 1.12 -1.50 0.24 0.00 -1.02 0.00 0.00 32.46 31.30 1cg3 n ARG 257 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1cg3 n TYR 258 N -1.48 0.59 -2.78 -1.55 4.01 0.72 -4.82 117.16 111.85 1cg3 n TYR 258 Ca 0.02 -0.30 -0.42 0.00 -0.16 0.00 0.00 57.90 57.04 1cg3 n TYR 258 Cb 0.07 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1cg3 n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1cg3 s VAL 259 N -1.41 4.71 -0.16 -0.72 1.01 -1.10 -4.53 120.40 118.20 1cg3 s VAL 259 Ca 0.34 1.63 -0.07 0.00 0.00 0.00 0.00 61.98 63.88 1cg3 s VAL 259 Cb 0.18 -4.25 -0.23 0.00 0.00 0.00 0.00 36.38 32.08 1cg3 s VAL 259 CO 0.24 -0.24 0.21 0.47 0.00 0.00 0.00 175.10 175.79 1cg3 n ASP 260 N 6.34 2.06 -3.78 3.32 8.00 -0.47 -4.96 116.55 127.07 1cg3 n ASP 260 Ca 0.08 0.18 -0.13 0.00 0.71 0.00 0.00 54.79 55.63 1cg3 n ASP 260 Cb 0.47 -0.80 -0.14 0.00 -0.02 0.00 0.00 41.12 40.63 1cg3 n ASP 260 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1cg3 s TYR 261 N -2.52 -0.11 -0.26 1.24 6.14 -0.89 -4.85 117.35 116.10 1cg3 s TYR 261 Ca -0.26 0.35 -0.04 0.00 0.64 0.00 0.00 57.07 57.76 1cg3 s TYR 261 Cb 0.07 -0.08 0.01 0.00 0.42 0.00 0.00 41.96 42.38 1cg3 s TYR 261 CO 0.71 -0.12 0.01 0.08 0.64 0.00 0.00 175.55 176.86 1cg3 s VAL 262 N 0.86 3.50 -0.20 3.14 1.01 -1.26 -0.20 120.40 127.24 1cg3 s VAL 262 Ca -0.07 -0.72 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1cg3 s VAL 262 Cb -0.09 -2.73 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1cg3 s VAL 262 CO -0.04 0.21 0.06 -0.22 0.00 0.00 0.00 175.10 175.11 1cg3 s LEU 263 N 1.45 3.65 -0.28 3.92 1.98 0.18 -0.54 118.68 129.04 1cg3 s LEU 263 Ca 0.03 -0.02 -0.10 0.00 -2.89 0.00 0.00 54.13 51.15 1cg3 s LEU 263 Cb -0.16 -1.94 -0.04 0.00 0.66 0.00 0.00 46.19 44.71 1cg3 s LEU 263 CO -0.01 0.11 0.16 -0.83 -1.89 0.00 0.00 176.35 173.89 1cg3 s GLY 264 N 0.73 1.88 -0.29 7.98 0.00 0.81 -2.44 107.32 115.99 1cg3 s GLY 264 Ca 0.03 -1.13 -0.29 0.00 0.00 0.00 0.00 44.72 43.33 1cg3 s GLY 264 CO 0.02 0.63 1.10 -0.42 0.00 0.00 0.00 173.10 174.42 1cg3 s ILE 265 N 1.71 4.51 -0.25 0.90 -1.09 -0.28 -0.51 121.20 126.18 1cg3 s ILE 265 Ca 0.07 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.27 1cg3 s ILE 265 Cb -0.16 -4.35 0.05 0.00 -1.58 0.00 0.00 42.46 36.43 1cg3 s ILE 265 CO 0.09 -0.39 -0.12 -0.22 -1.23 0.00 0.00 174.94 173.06 1cg3 s LEU 266 N 3.60 3.19 0.59 2.97 2.96 0.10 -2.30 118.68 129.79 1cg3 s LEU 266 Ca 0.46 -1.27 0.33 0.00 -0.22 0.00 0.00 54.13 53.43 1cg3 s LEU 266 Cb -0.14 -1.51 1.89 0.00 0.50 0.00 0.00 46.19 46.93 1cg3 s LEU 266 CO 0.14 -0.17 2.24 0.50 -1.32 0.00 0.00 176.35 177.74 1cg3 h LYS 267 N 7.81 0.00 0.00 1.98 3.64 -1.79 0.42 116.57 128.63 1cg3 h LYS 267 Ca -0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.15 1cg3 h LYS 267 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1cg3 h LYS 267 CO 0.48 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.69 1cg3 n ALA 268 N -2.25 0.00 -3.55 5.00 0.00 -1.24 -3.99 120.51 114.47 1cg3 n ALA 268 Ca -0.03 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.33 1cg3 n ALA 268 Cb 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.55 1cg3 n ALA 268 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1cg3 s TYR 269 N -2.36 -0.34 0.04 0.00 -0.85 -1.26 -4.48 117.35 108.09 1cg3 s TYR 269 Ca 0.00 0.13 0.02 0.00 -0.52 0.00 0.00 57.07 56.71 1cg3 s TYR 269 Cb 0.00 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.88 1cg3 s TYR 269 CO 0.00 -0.73 0.04 -1.12 -1.52 0.00 0.00 175.55 172.22 1cg3 s SER 270 N -2.67 5.32 0.09 -0.18 0.01 0.23 -4.73 113.70 111.77 1cg3 s SER 270 Ca 0.06 -0.01 0.04 0.00 1.31 0.00 0.00 55.95 57.35 1cg3 s SER 270 Cb -0.01 -1.41 -0.03 0.00 0.21 0.00 0.00 66.02 64.78 1cg3 s SER 270 CO -0.07 0.23 -0.11 0.42 0.41 0.00 0.00 173.24 174.12 1cg3 s THR 271 N -1.24 1.00 -0.12 1.44 -4.23 -1.26 -0.65 115.64 110.59 1cg3 s THR 271 Ca 0.24 -1.54 -0.08 0.00 -1.18 0.00 0.00 61.69 59.14 1cg3 s THR 271 Cb -0.12 -1.27 0.04 0.00 1.34 0.00 0.00 72.50 72.50 1cg3 s THR 271 CO 0.16 -0.46 0.29 -0.60 -0.54 0.00 0.00 174.62 173.47 1cg3 s ARG 272 N -2.46 0.29 -0.14 3.99 3.52 -0.43 -4.47 118.95 119.25 1cg3 s ARG 272 Ca 0.03 0.52 0.02 0.00 -0.13 0.00 0.00 55.73 56.17 1cg3 s ARG 272 Cb -0.05 0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.36 1cg3 s ARG 272 CO 0.01 -0.11 -0.19 0.08 -0.81 0.00 0.00 175.30 174.28 1cg3 s VAL 273 N 0.84 1.85 0.00 7.11 1.01 -1.26 -0.10 120.40 129.84 1cg3 s VAL 273 Ca -0.06 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1cg3 s VAL 273 Cb -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.65 1cg3 s VAL 273 CO -0.06 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.16 1cg3 n GLY 274 N 4.27 2.42 3.81 4.51 0.00 -1.26 -5.04 105.19 113.90 1cg3 n GLY 274 Ca -0.19 -2.09 -0.31 0.00 0.00 0.00 0.00 46.02 43.42 1cg3 n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cg3 s ALA 275 N -2.16 2.69 0.00 4.61 0.00 -0.33 -5.01 121.76 121.56 1cg3 s ALA 275 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.13 1cg3 s ALA 275 Cb 0.00 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.93 1cg3 s ALA 275 CO 0.00 -1.12 0.00 0.41 0.00 0.00 0.00 175.76 175.05 1cg3 n GLY 276 N -1.70 4.22 3.73 0.00 0.00 -1.26 -4.84 105.19 105.34 1cg3 n GLY 276 Ca 0.08 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.31 1cg3 n GLY 276 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1cg3 n PRO 277 N -1.83 2.34 -2.81 1.61 -0.02 -1.26 -4.98 135.00 128.06 1cg3 n PRO 277 Ca 0.00 0.82 -0.08 0.00 -2.02 0.00 0.00 63.50 62.22 1cg3 n PRO 277 Cb 0.00 -2.47 0.02 0.00 -0.02 0.00 0.00 33.50 31.04 1cg3 n PRO 277 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1cg3 n PHE 278 N 0.43 -3.27 -0.33 6.00 7.35 -1.26 -5.05 117.46 121.33 1cg3 n PHE 278 Ca 0.04 -1.77 0.00 0.00 -0.76 0.00 0.00 57.45 54.96 1cg3 n PHE 278 Cb 0.37 1.37 0.06 0.00 0.35 0.00 0.00 39.48 41.64 1cg3 n PHE 278 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1cg3 h PRO 279 N 4.45 -0.03 -0.19 -7.13 0.11 -1.94 -0.80 132.00 126.47 1cg3 h PRO 279 Ca -0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.07 1cg3 h PRO 279 Cb 1.05 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1cg3 h PRO 279 CO 0.22 -0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.24 1cg3 n THR 280 N -5.51 0.17 -1.66 -1.15 -2.24 -1.26 -4.65 114.28 97.97 1cg3 n THR 280 Ca 0.11 -0.15 -0.45 0.00 -2.27 0.00 0.00 64.05 61.29 1cg3 n THR 280 Cb 0.41 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.63 1cg3 n THR 280 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1cg3 n GLU 281 N -0.16 1.95 -4.66 -0.78 2.13 -0.31 -2.65 120.64 116.16 1cg3 n GLU 281 Ca 0.04 0.69 -0.33 0.00 0.66 0.00 0.00 57.16 58.22 1cg3 n GLU 281 Cb 0.12 -2.33 -0.14 0.00 0.27 0.00 0.00 31.44 29.37 1cg3 n GLU 281 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1cg3 s LEU 282 N 0.06 2.89 -0.00 4.31 1.43 0.52 -4.91 118.68 122.98 1cg3 s LEU 282 Ca 0.67 -0.26 0.05 0.00 -1.03 0.00 0.00 54.13 53.56 1cg3 s LEU 282 Cb -0.66 -1.67 0.15 0.00 0.03 0.00 0.00 46.19 44.05 1cg3 s LEU 282 CO 0.51 0.17 1.13 0.49 0.23 0.00 0.00 176.35 178.88 1cg3 n PHE 283 N 3.51 0.23 -2.08 0.29 3.72 -1.26 -4.57 117.46 117.31 1cg3 n PHE 283 Ca -0.18 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 1cg3 n PHE 283 Cb 0.53 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 1cg3 n PHE 283 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1cg3 n ASP 284 N 0.00 0.00 -0.09 4.37 3.85 -1.26 -4.93 116.55 118.50 1cg3 n ASP 284 Ca 0.06 -0.32 -0.08 0.00 -0.71 0.00 0.00 54.79 53.73 1cg3 n ASP 284 Cb 0.34 0.00 -0.01 0.00 -1.35 0.00 0.00 41.12 40.10 1cg3 n ASP 284 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1cg3 h GLU 285 N 0.00 0.34 -0.48 0.11 4.39 -1.99 -2.64 114.58 114.30 1cg3 h GLU 285 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1cg3 h GLU 285 Cb 0.00 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.55 1cg3 h GLU 285 CO 0.00 0.22 0.26 0.00 -1.16 0.00 0.00 179.01 178.33 1cg3 h THR 286 N 0.35 1.15 -0.41 1.13 1.03 -1.96 0.39 112.91 114.59 1cg3 h THR 286 Ca 0.13 -0.39 0.00 0.00 -0.01 0.00 0.00 66.41 66.13 1cg3 h THR 286 Cb 0.02 0.51 -0.02 0.00 -1.07 0.00 0.00 68.15 67.59 1cg3 h THR 286 CO -0.07 0.17 0.26 1.23 -0.01 0.00 0.00 175.52 177.10 1cg3 h GLY 287 N 0.75 0.58 1.00 2.99 0.00 -1.72 0.43 103.07 107.09 1cg3 h GLY 287 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1cg3 h GLY 287 CO -0.03 0.22 0.26 -2.09 0.00 0.00 0.00 176.54 174.90 1cg3 h GLU 288 N 0.55 0.90 -0.21 4.80 4.81 -0.95 -0.73 114.58 123.75 1cg3 h GLU 288 Ca 0.15 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1cg3 h GLU 288 Cb -0.04 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 1cg3 h GLU 288 CO -0.03 0.75 0.09 0.35 -0.73 0.00 0.00 179.01 179.44 1cg3 h PHE 289 N 0.84 0.16 -0.59 0.92 3.57 0.53 -0.67 116.94 121.69 1cg3 h PHE 289 Ca 0.20 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1cg3 h PHE 289 Cb 0.18 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1cg3 h PHE 289 CO 0.01 0.08 0.33 -0.07 -2.23 0.00 0.00 178.31 176.43 1cg3 h LEU 290 N 0.19 0.51 -0.00 0.59 3.38 0.29 -0.73 115.31 119.54 1cg3 h LEU 290 Ca 0.09 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1cg3 h LEU 290 Cb 0.04 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1cg3 h LEU 290 CO -0.08 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.80 1cg3 h LYS 292 N -0.12 -0.90 -0.99 0.00 1.57 -0.93 -0.97 116.57 114.23 1cg3 h LYS 292 Ca 0.00 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.03 1cg3 h LYS 292 Cb 0.13 0.20 -0.10 0.00 0.08 0.00 0.00 32.23 32.54 1cg3 h LYS 292 CO -0.00 -0.60 0.61 1.96 -0.57 0.00 0.00 179.45 180.86 1cg3 h GLN 293 N -1.04 0.67 -0.21 3.15 1.08 -1.23 0.21 115.11 117.73 1cg3 h GLN 293 Ca -0.10 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1cg3 h GLN 293 Cb 0.71 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1cg3 h GLN 293 CO 0.16 0.44 0.00 0.41 -0.95 0.00 0.00 178.83 178.89 1cg3 n GLY 294 N -1.37 0.32 4.24 3.46 0.00 -0.52 -4.92 105.19 106.39 1cg3 n GLY 294 Ca 0.22 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 1cg3 n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1cg3 n ASN 295 N 0.33 0.13 -4.58 1.61 4.05 0.72 -4.76 115.26 112.77 1cg3 n ASN 295 Ca 0.15 -1.25 -0.42 0.00 0.45 0.00 0.00 54.58 53.50 1cg3 n ASN 295 Cb 0.31 -1.78 -0.01 0.00 1.23 0.00 0.00 39.78 39.53 1cg3 n ASN 295 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1cg3 s GLU 296 N -7.29 3.91 -0.01 1.20 0.41 -0.48 -4.93 118.70 111.51 1cg3 s GLU 296 Ca 0.07 -1.87 0.02 0.00 -0.41 0.00 0.00 54.97 52.78 1cg3 s GLU 296 Cb -0.04 -5.51 -0.01 0.00 -1.78 0.00 0.00 34.13 26.80 1cg3 s GLU 296 CO 0.98 -2.28 -0.08 -0.06 -0.49 0.00 0.00 175.26 173.34 1cg3 s PHE 297 N 4.44 0.68 -0.35 1.61 0.08 -1.26 -1.85 117.98 121.34 1cg3 s PHE 297 Ca 0.53 -0.13 -0.40 0.00 0.12 0.00 0.00 56.93 57.05 1cg3 s PHE 297 Cb 0.03 -0.44 -0.15 0.00 -0.57 0.00 0.00 43.02 41.89 1cg3 s PHE 297 CO 0.06 -0.02 1.90 0.41 -0.10 0.00 0.00 175.22 177.47 1cg3 n GLY 298 N 2.92 0.58 0.00 4.36 0.00 0.25 -4.79 105.19 108.51 1cg3 n GLY 298 Ca -0.13 0.97 0.04 0.00 0.00 0.00 0.00 46.02 46.89 1cg3 n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1cg3 n ALA 299 N 6.65 1.51 0.01 4.61 0.00 -1.26 -0.35 120.51 131.68 1cg3 n ALA 299 Ca 0.34 -0.03 -0.02 0.00 0.00 0.00 0.00 53.44 53.73 1cg3 n ALA 299 Cb 0.11 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.44 1cg3 n ALA 299 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1cg3 n THR 300 N -1.30 0.72 0.08 0.00 -1.04 -1.26 -4.76 114.28 106.72 1cg3 n THR 300 Ca 0.03 0.18 0.11 0.00 -2.04 0.00 0.00 64.05 62.34 1cg3 n THR 300 Cb 0.06 -1.60 -0.03 0.00 -1.82 0.00 0.00 70.33 66.94 1cg3 n THR 300 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1cg3 n THR 301 N -3.36 0.54 -0.51 12.58 -2.24 -1.22 -4.98 114.28 115.10 1cg3 n THR 301 Ca -0.03 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1cg3 n THR 301 Cb 0.28 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 1cg3 n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg3 n GLY 302 N 1.21 1.81 3.80 3.38 0.00 0.52 -4.95 105.19 110.97 1cg3 n GLY 302 Ca -0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 1cg3 n GLY 302 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1cg3 s ARG 303 N -0.06 3.82 0.30 1.61 1.70 -1.26 -4.35 118.95 120.70 1cg3 s ARG 303 Ca 0.00 1.28 -0.29 0.00 -0.47 0.00 0.00 55.73 56.24 1cg3 s ARG 303 Cb 0.00 -2.10 -0.11 0.00 -0.57 0.00 0.00 34.95 32.17 1cg3 s ARG 303 CO 0.00 -0.41 1.45 0.50 -1.08 0.00 0.00 175.30 175.76 1cg3 s ARG 304 N -3.39 4.23 0.06 3.89 3.52 -1.26 -0.59 118.95 125.42 1cg3 s ARG 304 Ca 0.65 2.38 -0.16 0.00 -0.13 0.00 0.00 55.73 58.48 1cg3 s ARG 304 Cb -0.15 -3.06 -0.06 0.00 -1.56 0.00 0.00 34.95 30.12 1cg3 s ARG 304 CO 0.22 -0.43 0.50 1.03 -0.81 0.00 0.00 175.30 175.81 1cg3 s ARG 305 N -1.07 4.02 0.43 5.12 0.52 -0.77 -4.87 118.95 122.33 1cg3 s ARG 305 Ca 0.56 0.53 -0.23 0.00 -0.52 0.00 0.00 55.73 56.07 1cg3 s ARG 305 Cb -0.43 -3.15 -0.08 0.00 0.52 0.00 0.00 34.95 31.80 1cg3 s ARG 305 CO 0.50 0.62 1.07 1.03 0.02 0.00 0.00 175.30 178.55 1cg3 s ARG 306 N -1.34 3.99 0.11 3.54 0.52 0.86 -4.84 118.95 121.80 1cg3 s ARG 306 Ca 0.29 1.54 0.04 0.00 -0.52 0.00 0.00 55.73 57.08 1cg3 s ARG 306 Cb -0.17 -2.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.84 1cg3 s ARG 306 CO 0.17 -0.30 -0.10 0.95 0.02 0.00 0.00 175.30 176.04 1cg3 s THR 307 N -1.70 1.02 0.11 0.02 -4.23 -1.26 -1.31 115.64 108.30 1cg3 s THR 307 Ca 0.61 -1.78 -0.17 0.00 -1.18 0.00 0.00 61.69 59.18 1cg3 s THR 307 Cb -0.22 -1.52 0.06 0.00 1.34 0.00 0.00 72.50 72.15 1cg3 s THR 307 CO 0.28 -0.61 0.79 0.61 -0.54 0.00 0.00 174.62 175.15 1cg3 n GLY 308 N 0.32 0.71 3.80 3.99 0.00 0.18 -0.35 105.19 113.84 1cg3 n GLY 308 Ca -0.14 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 1cg3 n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1cg3 s TRP 309 N -2.99 2.72 0.01 1.61 0.52 -1.09 -0.60 118.94 119.13 1cg3 s TRP 309 Ca 0.18 1.02 -0.30 0.00 0.02 0.00 0.00 56.10 57.01 1cg3 s TRP 309 Cb -0.02 -3.24 -0.06 0.00 -1.15 0.00 0.00 33.47 29.01 1cg3 s TRP 309 CO 0.03 -1.99 1.43 -1.17 0.02 0.00 0.00 176.95 175.28 1cg3 s LEU 310 N -5.86 4.32 -0.49 2.99 2.96 -1.26 -3.61 118.68 117.73 1cg3 s LEU 310 Ca 0.62 2.16 -0.17 0.00 -0.22 0.00 0.00 54.13 56.52 1cg3 s LEU 310 Cb -0.14 -3.56 0.07 0.00 0.50 0.00 0.00 46.19 43.06 1cg3 s LEU 310 CO 0.54 -0.74 0.49 -0.62 -1.32 0.00 0.00 176.35 174.70 1cg3 s ASP 311 N 1.95 6.18 0.37 3.68 -1.08 -1.26 -1.23 116.67 125.27 1cg3 s ASP 311 Ca 0.65 -1.23 0.17 0.00 -0.52 0.00 0.00 52.55 51.62 1cg3 s ASP 311 Cb -0.33 -2.23 0.71 0.00 -1.46 0.00 0.00 42.92 39.62 1cg3 s ASP 311 CO 0.27 -0.76 1.77 0.74 0.52 0.00 0.00 175.17 177.71 1cg3 h THR 312 N 5.81 1.02 0.15 1.71 2.02 -1.07 -1.01 112.91 121.54 1cg3 h THR 312 Ca -0.28 -1.47 -0.01 0.00 0.77 0.00 0.00 66.41 65.42 1cg3 h THR 312 Cb 1.10 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.37 1cg3 h THR 312 CO 0.93 0.38 -0.07 0.58 0.37 0.00 0.00 175.52 177.70 1cg3 h VAL 313 N 0.00 0.99 -0.15 3.16 2.07 -1.85 -1.52 116.25 118.94 1cg3 h VAL 313 Ca -0.00 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1cg3 h VAL 313 Cb 0.82 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1cg3 h VAL 313 CO 0.05 0.18 0.09 0.00 0.02 0.00 0.00 177.57 177.91 1cg3 h ALA 314 N 0.15 0.19 -0.84 1.67 0.00 -1.90 -2.67 119.26 115.86 1cg3 h ALA 314 Ca -0.02 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1cg3 h ALA 314 Cb 0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1cg3 h ALA 314 CO 0.03 -0.34 0.52 0.28 0.00 0.00 0.00 179.25 179.75 1cg3 h VAL 315 N 0.19 1.03 0.00 0.00 2.07 -1.20 -1.18 116.25 117.16 1cg3 h VAL 315 Ca 0.06 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 1cg3 h VAL 315 Cb -0.01 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1cg3 h VAL 315 CO -0.02 0.17 -0.05 0.03 0.02 0.00 0.00 177.57 177.72 1cg3 h ARG 316 N 0.94 0.00 -0.52 1.57 3.08 -0.92 0.38 114.38 118.91 1cg3 h ARG 316 Ca 0.37 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.33 1cg3 h ARG 316 Cb 0.18 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1cg3 h ARG 316 CO -0.18 0.05 -0.04 -0.09 -1.07 0.00 0.00 179.97 178.65 1cg3 h ARG 317 N 0.00 0.94 -0.58 0.04 9.65 -1.07 -2.94 114.38 120.41 1cg3 h ARG 317 Ca -0.00 -0.32 -0.01 0.00 -1.10 0.00 0.00 59.98 58.55 1cg3 h ARG 317 Cb 0.17 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 28.64 1cg3 h ARG 317 CO 0.01 0.98 0.34 0.00 2.80 0.00 0.00 179.97 184.09 1cg3 h ALA 318 N 0.93 0.74 -0.29 2.80 0.00 -0.10 -1.63 119.26 121.71 1cg3 h ALA 318 Ca 0.14 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1cg3 h ALA 318 Cb 0.58 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1cg3 h ALA 318 CO 0.03 0.24 -0.14 0.28 0.00 0.00 0.00 179.25 179.67 1cg3 h VAL 319 N 0.78 0.58 -0.16 0.00 2.07 -0.93 -1.53 116.25 117.06 1cg3 h VAL 319 Ca 0.21 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.56 1cg3 h VAL 319 Cb 0.01 0.58 0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1cg3 h VAL 319 CO -0.04 0.00 -0.56 0.06 0.02 0.00 0.00 177.57 177.05 1cg3 h GLN 320 N -0.09 0.67 -0.76 1.57 3.07 -1.33 -1.43 115.11 116.79 1cg3 h GLN 320 Ca 0.15 -0.50 0.01 0.00 0.09 0.00 0.00 58.65 58.39 1cg3 h GLN 320 Cb 0.32 0.09 -0.04 0.00 0.08 0.00 0.00 27.48 27.93 1cg3 h GLN 320 CO -0.35 1.12 0.51 -0.07 0.09 0.00 0.00 178.83 180.13 1cg3 h LEU 321 N 0.35 0.87 -1.61 0.06 3.38 -1.20 -2.96 115.31 114.21 1cg3 h LEU 321 Ca -0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1cg3 h LEU 321 Cb 1.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1cg3 h LEU 321 CO 0.12 0.63 0.00 0.59 0.09 0.00 0.00 178.44 179.87 1cg3 n ASN 322 N -4.56 2.44 -3.93 -0.43 3.02 -0.58 -4.62 115.26 106.60 1cg3 n ASN 322 Ca 0.07 -1.82 -0.30 0.00 -0.03 0.00 0.00 54.58 52.51 1cg3 n ASN 322 Cb 0.02 -0.11 -0.01 0.00 -0.61 0.00 0.00 39.78 39.08 1cg3 n ASN 322 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1cg3 n SER 323 N 0.85 -2.05 -4.72 6.41 3.41 -0.60 -4.80 113.62 112.12 1cg3 n SER 323 Ca 0.17 -1.07 -0.42 0.00 -0.26 0.00 0.00 58.87 57.29 1cg3 n SER 323 Cb 0.47 -2.83 -0.00 0.00 -0.26 0.00 0.00 64.21 61.59 1cg3 n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1cg3 n LEU 324 N -4.44 3.87 -0.10 1.04 4.77 -0.85 -4.57 117.00 116.72 1cg3 n LEU 324 Ca -0.23 1.20 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1cg3 n LEU 324 Cb 0.65 -1.52 -0.15 0.00 -2.33 0.00 0.00 43.42 40.07 1cg3 n LEU 324 CO 0.74 -0.35 -1.19 -1.20 -1.33 0.00 0.00 177.39 174.06 1cg3 n SER 325 N 0.64 0.76 -3.71 -1.43 7.64 0.29 -4.92 113.62 112.90 1cg3 n SER 325 Ca 0.04 -0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.85 1cg3 n SER 325 Cb 0.37 0.43 -0.02 0.00 -1.01 0.00 0.00 64.21 63.98 1cg3 n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1cg3 s GLY 326 N -5.82 -0.27 0.21 0.23 0.00 -1.06 -4.63 107.32 95.97 1cg3 s GLY 326 Ca -0.19 0.26 0.08 0.00 0.00 0.00 0.00 44.72 44.88 1cg3 s GLY 326 CO 0.75 0.06 0.02 -1.36 0.00 0.00 0.00 173.10 172.57 1cg3 s PHE 327 N -3.30 2.83 -0.28 1.90 2.99 -0.33 -0.14 117.98 121.65 1cg3 s PHE 327 Ca 0.11 -0.16 0.01 0.00 0.00 0.00 0.00 56.93 56.89 1cg3 s PHE 327 Cb -0.02 -1.33 0.08 0.00 0.00 0.00 0.00 43.02 41.75 1cg3 s PHE 327 CO 0.00 0.54 0.02 0.00 -0.00 0.00 0.00 175.22 175.79 1cg3 s LEU 329 N 1.36 3.94 0.40 0.00 2.96 -0.35 -0.72 118.68 126.27 1cg3 s LEU 329 Ca 0.03 1.15 0.08 0.00 -0.22 0.00 0.00 54.13 55.17 1cg3 s LEU 329 Cb -0.18 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1cg3 s LEU 329 CO -0.12 -0.92 0.32 0.42 -1.32 0.00 0.00 176.35 174.73 1cg3 s THR 330 N 3.81 2.68 -1.79 3.68 -4.23 0.15 0.29 115.64 120.24 1cg3 s THR 330 Ca 0.49 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1cg3 s THR 330 Cb -0.14 -3.01 0.00 0.00 1.34 0.00 0.00 72.50 70.68 1cg3 s THR 330 CO 0.17 -0.02 0.00 0.29 -0.54 0.00 0.00 174.62 174.52 1cg3 n LYS 331 N -1.45 -1.39 -0.20 3.99 4.76 -1.17 -3.69 118.16 119.02 1cg3 n LYS 331 Ca 0.02 1.00 -0.00 0.00 -2.87 0.00 0.00 58.31 56.46 1cg3 n LYS 331 Cb 0.62 -5.31 0.10 0.00 -1.84 0.00 0.00 35.03 28.60 1cg3 n LYS 331 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 1cg3 h LEU 332 N 0.00 0.15 -1.96 -0.35 5.85 -1.76 0.10 115.31 117.34 1cg3 h LEU 332 Ca -0.34 0.09 0.24 0.00 0.84 0.00 0.00 57.88 58.70 1cg3 h LEU 332 Cb 1.11 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.20 1cg3 h LEU 332 CO 0.50 0.09 0.64 -2.24 -0.34 0.00 0.00 178.44 177.09 1cg3 h ASP 333 N 0.35 0.00 0.42 1.25 2.03 -1.83 -0.44 116.42 118.21 1cg3 h ASP 333 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1cg3 h ASP 333 Cb 0.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1cg3 h ASP 333 CO -0.33 0.00 0.00 0.52 -1.03 0.00 0.00 179.24 178.40 1cg3 n VAL 334 N -4.12 1.03 0.96 4.15 0.31 0.02 -2.16 118.33 118.53 1cg3 n VAL 334 Ca 0.17 0.40 0.12 0.00 -0.01 0.00 0.00 64.34 65.02 1cg3 n VAL 334 Cb 0.93 -1.33 0.23 0.00 -0.91 0.00 0.00 33.84 32.76 1cg3 n VAL 334 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1cg3 n LEU 335 N -2.06 0.53 -4.65 7.52 4.77 -0.17 -4.88 117.00 118.06 1cg3 n LEU 335 Ca 0.01 0.00 -0.52 0.00 -0.03 0.00 0.00 56.01 55.47 1cg3 n LEU 335 Cb 0.14 -0.24 -0.06 0.00 -2.33 0.00 0.00 43.42 40.94 1cg3 n LEU 335 CO 0.14 0.11 1.15 0.47 -1.33 0.00 0.00 177.39 177.93 1cg3 n ASP 336 N -1.55 2.35 0.00 -1.43 10.43 -0.92 -1.93 116.55 123.50 1cg3 n ASP 336 Ca 0.05 1.08 0.00 0.00 2.57 0.00 0.00 54.79 58.49 1cg3 n ASP 336 Cb 0.34 -1.24 0.00 0.00 1.84 0.00 0.00 41.12 42.06 1cg3 n ASP 336 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1cg3 n GLY 337 N 3.39 2.47 3.74 0.44 0.00 0.76 -5.01 105.19 110.98 1cg3 n GLY 337 Ca 0.21 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1cg3 n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cg3 s LEU 338 N 0.00 4.36 0.22 0.99 1.43 -0.81 -4.82 118.68 120.04 1cg3 s LEU 338 Ca 0.00 2.92 -0.08 0.00 -1.03 0.00 0.00 54.13 55.94 1cg3 s LEU 338 Cb 0.00 -3.62 0.17 0.00 0.03 0.00 0.00 46.19 42.78 1cg3 s LEU 338 CO 0.00 -0.95 1.83 0.50 0.23 0.00 0.00 176.35 177.96 1cg3 h LYS 339 N 5.82 1.16 -3.73 1.70 1.63 -1.91 -3.08 116.57 118.17 1cg3 h LYS 339 Ca -0.45 -0.15 -0.10 0.00 -0.85 0.00 0.00 60.65 59.10 1cg3 h LYS 339 Cb 1.21 -0.22 -0.16 0.00 -0.60 0.00 0.00 32.23 32.46 1cg3 h LYS 339 CO 0.88 0.87 -0.40 -1.83 -3.45 0.00 0.00 179.45 175.51 1cg3 s GLU 340 N -5.79 0.76 0.02 1.90 -1.05 -1.26 -0.76 118.70 112.51 1cg3 s GLU 340 Ca -0.13 -0.82 0.02 0.00 -0.15 0.00 0.00 54.97 53.89 1cg3 s GLU 340 Cb 0.16 0.31 -0.01 0.00 -0.44 0.00 0.00 34.13 34.14 1cg3 s GLU 340 CO 0.82 -0.22 -0.06 0.14 0.95 0.00 0.00 175.26 176.88 1cg3 s VAL 341 N -3.26 0.46 0.17 1.83 -7.23 0.87 -4.62 120.40 108.62 1cg3 s VAL 341 Ca 0.00 -0.62 0.05 0.00 -1.81 0.00 0.00 61.98 59.61 1cg3 s VAL 341 Cb 0.02 -0.46 -0.05 0.00 0.56 0.00 0.00 36.38 36.46 1cg3 s VAL 341 CO -0.08 -0.12 -0.09 -1.59 -0.31 0.00 0.00 175.10 172.91 1cg3 s LYS 342 N -0.80 1.15 -0.01 4.82 -2.85 -1.26 0.23 119.74 121.03 1cg3 s LYS 342 Ca -0.04 -1.51 -0.01 0.00 -1.00 0.00 0.00 55.97 53.42 1cg3 s LYS 342 Cb -0.06 -0.70 0.00 0.00 -2.06 0.00 0.00 37.83 35.02 1cg3 s LYS 342 CO 0.00 0.06 0.02 -0.48 0.10 0.00 0.00 175.35 175.05 1cg3 s LEU 343 N -3.21 1.94 -0.08 2.77 0.05 -0.91 -4.17 118.68 115.06 1cg3 s LEU 343 Ca 0.20 0.01 -0.30 0.00 0.05 0.00 0.00 54.13 54.08 1cg3 s LEU 343 Cb 0.03 0.08 -0.03 0.00 -2.05 0.00 0.00 46.19 44.21 1cg3 s LEU 343 CO 0.03 -0.03 1.29 0.00 -0.55 0.00 0.00 176.35 177.10 1cg3 n VAL 345 N 4.95 0.00 -3.67 0.00 0.24 0.03 -0.40 118.33 119.47 1cg3 n VAL 345 Ca 0.13 -0.41 -0.07 0.00 -2.04 0.00 0.00 64.34 61.95 1cg3 n VAL 345 Cb 0.45 1.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.89 1cg3 n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1cg3 s ALA 346 N -1.19 -1.57 -0.02 2.33 0.00 -1.11 -4.77 121.76 115.43 1cg3 s ALA 346 Ca 0.06 0.26 0.08 0.00 0.00 0.00 0.00 51.96 52.35 1cg3 s ALA 346 Cb 0.06 0.69 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 1cg3 s ALA 346 CO 0.20 -0.92 -0.25 0.71 0.00 0.00 0.00 175.76 175.50 1cg3 s TYR 347 N -3.49 2.21 -0.34 0.00 2.02 0.21 -1.11 117.35 116.85 1cg3 s TYR 347 Ca 0.09 -0.42 -0.12 0.00 -0.37 0.00 0.00 57.07 56.25 1cg3 s TYR 347 Cb -0.02 -1.42 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 1cg3 s TYR 347 CO -0.01 -0.04 0.22 0.50 -1.57 0.00 0.00 175.55 174.65 1cg3 s ARG 348 N -0.58 3.34 0.47 -0.62 6.06 0.34 -0.45 118.95 127.50 1cg3 s ARG 348 Ca 0.09 -0.74 -0.20 0.00 -2.50 0.00 0.00 55.73 52.38 1cg3 s ARG 348 Cb -0.09 -3.76 -0.09 0.00 0.06 0.00 0.00 34.95 31.06 1cg3 s ARG 348 CO -0.01 -0.49 1.00 -1.64 -2.50 0.00 0.00 175.30 171.65 1cg3 s MET 349 N 1.68 3.98 0.34 5.12 -1.94 -0.19 -0.76 119.30 127.53 1cg3 s MET 349 Ca 0.05 1.21 0.15 0.00 -1.71 0.00 0.00 55.69 55.39 1cg3 s MET 349 Cb -0.18 -2.13 0.81 0.00 2.01 0.00 0.00 34.83 35.35 1cg3 s MET 349 CO 0.09 -0.26 1.37 -1.00 -0.01 0.00 0.00 175.02 175.22 1cg3 h PRO 350 N 1.61 0.00 -0.47 2.03 0.13 -1.89 -0.72 132.00 132.69 1cg3 h PRO 350 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1cg3 h PRO 350 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1cg3 h PRO 350 CO 0.60 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.97 1cg3 n ASP 351 N -2.12 5.08 0.00 1.44 3.85 -1.26 -4.94 116.55 118.60 1cg3 n ASP 351 Ca -0.01 -2.95 0.00 0.00 -0.71 0.00 0.00 54.79 51.12 1cg3 n ASP 351 Cb 0.29 -0.63 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 1cg3 n ASP 351 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1cg3 n GLY 352 N 0.24 2.55 3.76 6.12 0.00 -0.28 -5.04 105.19 112.55 1cg3 n GLY 352 Ca 0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 1cg3 n GLY 352 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cg3 s ARG 353 N -0.33 4.51 -0.08 1.61 3.52 -1.26 -4.78 118.95 122.15 1cg3 s ARG 353 Ca 0.00 1.98 -0.14 0.00 -0.13 0.00 0.00 55.73 57.43 1cg3 s ARG 353 Cb 0.00 -3.13 -0.05 0.00 -1.56 0.00 0.00 34.95 30.21 1cg3 s ARG 353 CO 0.00 0.03 0.36 -2.00 -0.81 0.00 0.00 175.30 172.88 1cg3 s GLU 354 N -1.61 4.02 0.02 5.12 2.12 -1.26 -1.02 118.70 126.09 1cg3 s GLU 354 Ca 0.47 0.27 -0.06 0.00 0.36 0.00 0.00 54.97 56.00 1cg3 s GLU 354 Cb -0.35 -3.31 -0.01 0.00 0.26 0.00 0.00 34.13 30.73 1cg3 s GLU 354 CO 0.46 0.49 0.10 0.08 -0.54 0.00 0.00 175.26 175.85 1cg3 s VAL 355 N -0.37 0.10 -0.14 3.70 1.01 0.40 -4.98 120.40 120.12 1cg3 s VAL 355 Ca 0.21 -0.86 0.16 0.00 0.00 0.00 0.00 61.98 61.49 1cg3 s VAL 355 Cb -0.15 -0.58 0.31 0.00 0.00 0.00 0.00 36.38 35.97 1cg3 s VAL 355 CO 0.09 -0.47 1.16 0.35 0.00 0.00 0.00 175.10 176.23 1cg3 n THR 356 N 1.21 1.84 -4.68 3.92 -2.24 -1.26 0.66 114.28 113.72 1cg3 n THR 356 Ca -0.22 -2.39 -0.25 0.00 -2.27 0.00 0.00 64.05 58.93 1cg3 n THR 356 Cb 0.56 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.48 1cg3 n THR 356 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1cg3 s THR 357 N -2.76 1.49 0.33 4.28 2.01 -1.26 -4.86 115.64 114.87 1cg3 s THR 357 Ca 0.32 -1.01 -0.07 0.00 0.31 0.00 0.00 61.69 61.24 1cg3 s THR 357 Cb 0.29 -1.29 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 1cg3 s THR 357 CO -0.00 0.25 0.63 0.42 -0.69 0.00 0.00 174.62 175.22 1cg3 s THR 358 N -0.67 4.94 0.86 -0.82 -4.23 -1.26 -4.92 115.64 109.54 1cg3 s THR 358 Ca 0.06 0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 1cg3 s THR 358 Cb -0.08 -3.73 0.11 0.00 1.34 0.00 0.00 72.50 70.14 1cg3 s THR 358 CO 0.01 -0.39 1.12 -2.84 -0.54 0.00 0.00 174.62 171.98 1cg3 s PRO 359 N -3.64 1.59 0.00 3.99 0.02 -1.26 -5.06 135.00 130.64 1cg3 s PRO 359 Ca 0.47 0.48 0.00 0.00 0.02 0.00 0.00 61.00 61.96 1cg3 s PRO 359 Cb -0.11 -1.88 0.00 0.00 0.02 0.00 0.00 34.50 32.54 1cg3 s PRO 359 CO 0.30 -1.93 0.00 1.28 -0.33 0.00 0.00 177.00 176.33 1cg3 n LEU 360 N -3.61 0.00 -4.74 -5.54 4.77 -1.26 -4.97 117.00 101.64 1cg3 n LEU 360 Ca 0.07 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.69 1cg3 n LEU 360 Cb 0.58 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.72 1cg3 n LEU 360 CO 0.57 0.00 0.84 0.00 -1.33 0.00 0.00 177.39 177.47 1cg3 s ALA 361 N -4.51 2.41 0.20 -1.18 0.00 -1.26 -4.27 121.76 113.15 1cg3 s ALA 361 Ca 0.00 1.01 -0.20 0.00 0.00 0.00 0.00 51.96 52.78 1cg3 s ALA 361 Cb 0.00 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.81 1cg3 s ALA 361 CO 0.00 -1.42 1.58 0.00 0.00 0.00 0.00 175.76 175.92 1cg3 h ALA 362 N 0.53 0.03 -1.02 0.00 0.00 -1.20 0.83 119.26 118.43 1cg3 h ALA 362 Ca -0.50 0.20 0.29 0.00 0.00 0.00 0.00 54.91 54.90 1cg3 h ALA 362 Cb 1.30 0.84 -0.13 0.00 0.00 0.00 0.00 17.79 19.80 1cg3 h ALA 362 CO 0.53 -0.65 0.60 -0.44 0.00 0.00 0.00 179.25 179.29 1cg3 h ASP 363 N -0.11 0.57 0.00 0.00 3.32 -1.91 0.36 116.42 118.65 1cg3 h ASP 363 Ca 0.27 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.48 1cg3 h ASP 363 Cb 0.56 0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1cg3 h ASP 363 CO -0.77 -0.03 0.00 0.47 -1.72 0.00 0.00 179.24 177.19 1cg3 n ASP 364 N -4.94 0.00 -0.58 6.45 10.43 0.29 -2.23 116.55 125.96 1cg3 n ASP 364 Ca 0.30 -0.95 0.08 0.00 2.57 0.00 0.00 54.79 56.79 1cg3 n ASP 364 Cb 0.90 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.91 1cg3 n ASP 364 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1cg3 n TRP 365 N -0.87 0.00 -0.26 1.24 7.02 0.13 -4.72 117.44 119.99 1cg3 n TRP 365 Ca 0.13 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.54 1cg3 n TRP 365 Cb 0.06 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.89 1cg3 n TRP 365 CO 0.00 0.00 0.00 1.17 -2.02 0.00 0.00 177.69 176.84 1cg3 n LYS 366 N 0.67 -0.27 -0.85 -0.99 4.81 -0.95 -2.00 118.16 118.60 1cg3 n LYS 366 Ca 0.09 1.21 -0.06 0.00 -0.87 0.00 0.00 58.31 58.68 1cg3 n LYS 366 Cb 0.39 -1.79 0.21 0.00 0.02 0.00 0.00 35.03 33.86 1cg3 n LYS 366 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1cg3 n GLY 367 N -1.15 4.61 3.75 3.14 0.00 -1.26 -5.01 105.19 109.27 1cg3 n GLY 367 Ca 0.01 -1.16 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1cg3 n GLY 367 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1cg3 s VAL 368 N -3.18 3.38 -0.02 1.61 -7.23 -0.85 -4.18 120.40 109.94 1cg3 s VAL 368 Ca 0.47 1.29 0.07 0.00 -1.81 0.00 0.00 61.98 62.00 1cg3 s VAL 368 Cb 0.41 -3.82 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1cg3 s VAL 368 CO 0.04 0.27 -0.23 -1.61 -0.31 0.00 0.00 175.10 173.26 1cg3 s GLU 369 N -1.02 2.18 0.25 4.82 0.41 0.06 -4.88 118.70 120.51 1cg3 s GLU 369 Ca 0.49 -0.89 -0.21 0.00 -0.41 0.00 0.00 54.97 53.95 1cg3 s GLU 369 Cb -0.34 -2.11 -0.09 0.00 -1.78 0.00 0.00 34.13 29.81 1cg3 s GLU 369 CO 0.41 0.57 0.77 -1.25 -0.49 0.00 0.00 175.26 175.28 1cg3 s PRO 370 N -0.69 4.32 -0.23 0.39 0.04 -1.26 0.13 135.00 137.69 1cg3 s PRO 370 Ca 0.11 0.97 0.01 0.00 0.04 0.00 0.00 61.00 62.12 1cg3 s PRO 370 Cb -0.10 -2.86 0.04 0.00 0.04 0.00 0.00 34.50 31.62 1cg3 s PRO 370 CO -0.00 0.37 -0.11 0.42 0.04 0.00 0.00 177.00 177.71 1cg3 s ILE 371 N -1.55 2.41 0.16 0.56 1.01 -0.26 -4.84 121.20 118.69 1cg3 s ILE 371 Ca 0.45 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.92 1cg3 s ILE 371 Cb -0.17 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 1cg3 s ILE 371 CO 0.22 0.21 0.25 -0.31 0.00 0.00 0.00 174.94 175.30 1cg3 s TYR 372 N 1.24 3.39 0.05 3.97 2.02 -1.26 -0.79 117.35 125.96 1cg3 s TYR 372 Ca -0.02 0.07 0.03 0.00 -0.37 0.00 0.00 57.07 56.78 1cg3 s TYR 372 Cb -0.17 -1.61 -0.04 0.00 -0.40 0.00 0.00 41.96 39.74 1cg3 s TYR 372 CO -0.07 0.51 0.02 -1.21 -1.57 0.00 0.00 175.55 173.23 1cg3 s GLU 373 N -3.26 2.73 -0.13 -0.62 2.02 -0.81 -4.89 118.70 113.73 1cg3 s GLU 373 Ca 0.34 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.64 1cg3 s GLU 373 Cb -0.11 -2.64 0.01 0.00 0.10 0.00 0.00 34.13 31.50 1cg3 s GLU 373 CO 0.27 0.58 -0.18 0.99 0.02 0.00 0.00 175.26 176.95 1cg3 s THR 374 N -1.23 1.72 0.17 3.63 2.01 -1.26 -2.15 115.64 118.53 1cg3 s THR 374 Ca 0.24 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.56 1cg3 s THR 374 Cb -0.12 -1.55 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1cg3 s THR 374 CO 0.16 0.48 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.43 1cg3 s MET 375 N 1.00 2.04 0.30 4.92 1.00 0.14 -4.96 119.30 123.73 1cg3 s MET 375 Ca -0.05 -1.26 -0.29 0.00 0.00 0.00 0.00 55.69 54.09 1cg3 s MET 375 Cb -0.15 -2.16 -0.10 0.00 0.00 0.00 0.00 34.83 32.43 1cg3 s MET 375 CO -0.03 0.44 1.19 -1.25 0.00 0.00 0.00 175.02 175.37 1cg3 s PRO 376 N -2.76 4.52 0.00 2.03 0.04 -1.26 -0.09 135.00 137.47 1cg3 s PRO 376 Ca 0.24 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.26 1cg3 s PRO 376 Cb -0.09 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1cg3 s PRO 376 CO 0.15 0.04 0.00 0.41 0.04 0.00 0.00 177.00 177.63 1cg3 n GLY 377 N 1.08 -0.50 3.30 0.56 0.00 0.06 -4.59 105.19 105.09 1cg3 n GLY 377 Ca -0.00 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 1cg3 n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1cg3 s TRP 378 N 0.00 -0.45 -0.17 1.61 -2.14 -1.16 -4.78 118.94 111.85 1cg3 s TRP 378 Ca 0.00 1.10 0.17 0.00 2.66 0.00 0.00 56.10 60.03 1cg3 s TRP 378 Cb 0.00 0.15 -0.02 0.00 -3.10 0.00 0.00 33.47 30.51 1cg3 s TRP 378 CO 0.00 -0.22 1.13 0.66 -2.66 0.00 0.00 176.95 175.86 1cg3 h SER 379 N 5.52 0.00 -4.17 -2.66 4.64 -1.87 0.22 113.55 115.22 1cg3 h SER 379 Ca -0.27 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.51 1cg3 h SER 379 Cb 1.18 0.00 0.16 0.00 -0.31 0.00 0.00 62.40 63.44 1cg3 h SER 379 CO 0.25 0.44 0.41 -1.61 -0.87 0.00 0.00 176.83 175.45 1cg3 s GLU 380 N -3.02 2.09 -0.08 4.77 8.01 -1.26 -4.32 118.70 124.90 1cg3 s GLU 380 Ca 0.01 1.85 -0.20 0.00 0.01 0.00 0.00 54.97 56.63 1cg3 s GLU 380 Cb 0.08 -1.82 -0.04 0.00 -4.31 0.00 0.00 34.13 28.04 1cg3 s GLU 380 CO 0.78 -1.89 0.56 0.45 0.01 0.00 0.00 175.26 175.16 1cg3 s SER 381 N -1.88 6.82 0.00 -0.19 0.15 -1.26 -4.56 113.70 112.78 1cg3 s SER 381 Ca 0.76 0.98 0.11 0.00 0.70 0.00 0.00 55.95 58.50 1cg3 s SER 381 Cb -0.31 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 1cg3 s SER 381 CO 0.45 -0.01 0.74 0.35 1.20 0.00 0.00 173.24 175.98 1cg3 n THR 382 N 3.51 0.00 -1.67 6.45 -2.24 -1.26 -4.96 114.28 114.11 1cg3 n THR 382 Ca -0.05 -0.45 -0.45 0.00 -2.27 0.00 0.00 64.05 60.83 1cg3 n THR 382 Cb 0.51 1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 69.89 1cg3 n THR 382 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1cg3 n PHE 383 N 0.19 2.12 -0.20 4.78 7.35 -1.26 -1.52 117.46 128.91 1cg3 n PHE 383 Ca 0.05 0.44 0.00 0.00 -0.76 0.00 0.00 57.45 57.18 1cg3 n PHE 383 Cb 0.24 -2.45 0.00 0.00 0.35 0.00 0.00 39.48 37.62 1cg3 n PHE 383 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1cg3 n GLY 384 N 2.19 0.85 3.76 7.13 0.00 0.55 -4.95 105.19 114.72 1cg3 n GLY 384 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 1cg3 n GLY 384 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1cg3 n VAL 385 N -2.00 1.84 -1.62 1.61 0.31 -0.58 -4.68 118.33 113.22 1cg3 n VAL 385 Ca 0.00 -0.46 0.06 0.00 -0.01 0.00 0.00 64.34 63.93 1cg3 n VAL 385 Cb 0.00 -1.93 0.11 0.00 -0.91 0.00 0.00 33.84 31.11 1cg3 n VAL 385 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1cg3 n LYS 386 N 0.72 0.90 -3.67 5.55 5.02 -1.26 -4.25 118.16 121.17 1cg3 n LYS 386 Ca 0.03 -2.35 -0.08 0.00 -2.02 0.00 0.00 58.31 53.88 1cg3 n LYS 386 Cb 0.38 -1.10 -0.09 0.00 -0.02 0.00 0.00 35.03 34.20 1cg3 n LYS 386 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1cg3 s ASP 387 N -2.45 -0.54 0.28 4.39 2.15 -1.26 -4.68 116.67 114.56 1cg3 s ASP 387 Ca 0.27 1.07 -0.01 0.00 0.43 0.00 0.00 52.55 54.31 1cg3 s ASP 387 Cb 0.26 1.19 0.63 0.00 -0.30 0.00 0.00 42.92 44.70 1cg3 s ASP 387 CO -0.03 -0.22 1.62 0.03 -0.17 0.00 0.00 175.17 176.40 1cg3 h ARG 388 N 7.55 0.10 -1.16 4.34 3.08 -1.96 0.44 114.38 126.75 1cg3 h ARG 388 Ca -0.27 -0.01 0.34 0.00 0.07 0.00 0.00 59.98 60.11 1cg3 h ARG 388 Cb 1.16 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.14 1cg3 h ARG 388 CO 0.20 0.06 0.96 0.77 -1.07 0.00 0.00 179.97 180.90 1cg3 h SER 389 N 0.10 0.00 0.08 7.04 0.02 -2.01 1.07 113.55 119.84 1cg3 h SER 389 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1cg3 h SER 389 Cb 1.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.56 1cg3 h SER 389 CO -0.76 0.00 -0.04 0.61 -1.14 0.00 0.00 176.83 175.51 1cg3 n GLY 390 N -1.74 -0.50 3.85 -3.77 0.00 0.15 -4.83 105.19 98.36 1cg3 n GLY 390 Ca 0.25 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 1cg3 n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cg3 s LEU 391 N -2.12 4.39 0.67 0.99 1.43 0.37 -4.87 118.68 119.54 1cg3 s LEU 391 Ca 0.38 0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 54.30 1cg3 s LEU 391 Cb 0.21 -2.93 -0.00 0.00 0.03 0.00 0.00 46.19 43.50 1cg3 s LEU 391 CO 0.38 0.21 1.06 -2.16 0.23 0.00 0.00 176.35 176.07 1cg3 s PRO 392 N -1.63 3.03 0.23 1.29 0.04 -1.26 -4.85 135.00 131.85 1cg3 s PRO 392 Ca 0.31 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.29 1cg3 s PRO 392 Cb -0.15 -2.00 0.29 0.00 0.04 0.00 0.00 34.50 32.67 1cg3 s PRO 392 CO 0.17 -1.03 1.84 0.37 0.04 0.00 0.00 177.00 178.39 1cg3 h GLN 393 N -0.44 0.86 -0.38 4.56 5.75 -1.97 -1.65 115.11 121.83 1cg3 h GLN 393 Ca -0.44 -0.05 0.07 0.00 -0.15 0.00 0.00 58.65 58.07 1cg3 h GLN 393 Cb 1.21 -0.19 -0.06 0.00 1.07 0.00 0.00 27.48 29.51 1cg3 h GLN 393 CO 0.57 0.57 0.00 0.00 -2.65 0.00 0.00 178.83 177.32 1cg3 h ALA 394 N 1.38 0.35 0.21 3.38 0.00 -1.88 0.60 119.26 123.29 1cg3 h ALA 394 Ca 0.34 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.37 1cg3 h ALA 394 Cb 0.15 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1cg3 h ALA 394 CO -0.17 -0.39 -0.24 0.00 0.00 0.00 0.00 179.25 178.45 1cg3 h ALA 395 N 1.33 -0.47 -0.94 0.00 0.00 -1.70 0.49 119.26 117.97 1cg3 h ALA 395 Ca 0.19 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.15 1cg3 h ALA 395 Cb 0.26 0.36 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1cg3 h ALA 395 CO -0.31 -0.80 0.60 -0.07 0.00 0.00 0.00 179.25 178.67 1cg3 h LEU 396 N -0.50 0.82 0.17 0.00 3.38 -0.83 0.82 115.31 119.18 1cg3 h LEU 396 Ca 0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1cg3 h LEU 396 Cb 0.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1cg3 h LEU 396 CO -0.08 0.45 -0.08 0.78 0.09 0.00 0.00 178.44 179.60 1cg3 h ASN 397 N 0.89 -0.19 -0.60 -0.43 -0.26 0.17 -0.91 115.58 114.26 1cg3 h ASN 397 Ca 0.45 -0.13 0.12 0.00 -0.56 0.00 0.00 56.30 56.19 1cg3 h ASN 397 Cb 0.50 0.05 -0.09 0.00 -1.06 0.00 0.00 38.32 37.72 1cg3 h ASN 397 CO -0.22 0.01 0.06 0.22 -1.06 0.00 0.00 177.43 176.45 1cg3 h TYR 398 N -0.39 0.07 0.07 1.19 3.20 0.64 0.17 116.97 121.91 1cg3 h TYR 398 Ca -0.02 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.89 1cg3 h TYR 398 Cb 0.31 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.63 1cg3 h TYR 398 CO -0.02 -0.10 -0.09 0.82 -1.64 0.00 0.00 178.16 177.13 1cg3 h ILE 399 N 0.18 0.80 -0.29 1.81 2.04 -0.64 -1.55 117.51 119.85 1cg3 h ILE 399 Ca 0.32 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.22 1cg3 h ILE 399 Cb 0.50 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 1cg3 h ILE 399 CO -0.46 0.00 0.05 0.50 0.00 0.00 0.00 178.15 178.24 1cg3 h LYS 400 N -0.18 0.15 -0.70 2.37 1.63 -0.10 -1.41 116.57 118.33 1cg3 h LYS 400 Ca 0.01 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.90 1cg3 h LYS 400 Cb 0.19 -0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 31.71 1cg3 h LYS 400 CO -0.04 0.10 0.33 -0.09 -3.45 0.00 0.00 179.45 176.30 1cg3 h ARG 401 N 0.15 0.55 -0.41 1.90 9.65 -0.38 0.13 114.38 125.96 1cg3 h ARG 401 Ca 0.14 -0.03 0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1cg3 h ARG 401 Cb 0.15 -0.12 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1cg3 h ARG 401 CO -0.19 0.36 0.22 0.82 2.80 0.00 0.00 179.97 183.98 1cg3 h ILE 402 N 0.56 1.00 -0.52 1.20 2.04 -0.42 0.13 117.51 121.50 1cg3 h ILE 402 Ca 0.35 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 66.08 1cg3 h ILE 402 Cb 0.40 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 1cg3 h ILE 402 CO -0.29 0.08 0.32 -0.33 0.00 0.00 0.00 178.15 177.94 1cg3 h GLU 403 N 0.44 0.63 0.34 2.37 5.08 -0.06 -1.63 114.58 121.75 1cg3 h GLU 403 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1cg3 h GLU 403 Cb 0.06 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1cg3 h GLU 403 CO -0.11 0.42 -0.26 0.93 -1.00 0.00 0.00 179.01 178.99 1cg3 h GLU 404 N 0.65 -0.58 -0.21 2.33 5.08 0.10 1.10 114.58 123.05 1cg3 h GLU 404 Ca 0.20 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1cg3 h GLU 404 Cb -0.02 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1cg3 h GLU 404 CO -0.07 -0.39 0.14 -0.07 -1.00 0.00 0.00 179.01 177.61 1cg3 h LEU 405 N -0.61 0.24 0.01 1.33 3.38 -0.63 -3.17 115.31 115.86 1cg3 h LEU 405 Ca -0.03 -0.01 -0.36 0.00 0.09 0.00 0.00 57.88 57.58 1cg3 h LEU 405 Cb 0.53 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1cg3 h LEU 405 CO -0.00 0.17 -2.25 0.35 0.09 0.00 0.00 178.44 176.80 1cg3 n THR 406 N -4.51 1.48 -1.43 0.22 -2.24 -0.63 -5.01 114.28 102.17 1cg3 n THR 406 Ca 0.00 -0.77 -0.02 0.00 -2.27 0.00 0.00 64.05 60.99 1cg3 n THR 406 Cb 0.08 -0.87 -0.00 0.00 -2.10 0.00 0.00 70.33 67.43 1cg3 n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg3 n GLY 407 N 1.84 0.43 3.02 3.38 0.00 0.38 -5.04 105.19 109.20 1cg3 n GLY 407 Ca -0.33 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 1cg3 n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1cg3 s VAL 408 N -2.07 1.02 0.36 1.61 1.01 -1.22 -5.06 120.40 116.04 1cg3 s VAL 408 Ca 0.00 -0.44 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1cg3 s VAL 408 Cb 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 1cg3 s VAL 408 CO 0.00 0.32 1.13 -2.16 0.00 0.00 0.00 175.10 174.39 1cg3 s PRO 409 N 0.46 4.28 -0.63 2.72 0.04 -1.26 -4.47 135.00 136.14 1cg3 s PRO 409 Ca -0.09 1.77 -0.22 0.00 0.04 0.00 0.00 61.00 62.50 1cg3 s PRO 409 Cb -0.13 -2.83 0.08 0.00 0.04 0.00 0.00 34.50 31.66 1cg3 s PRO 409 CO 0.02 -0.10 0.89 0.42 0.04 0.00 0.00 177.00 178.27 1cg3 s ILE 410 N -1.37 4.47 -0.25 0.56 1.01 -1.26 -1.18 121.20 123.17 1cg3 s ILE 410 Ca 0.53 -0.51 0.18 0.00 0.00 0.00 0.00 60.65 60.85 1cg3 s ILE 410 Cb -0.30 -4.62 0.14 0.00 0.01 0.00 0.00 42.46 37.70 1cg3 s ILE 410 CO 0.38 -1.34 1.45 0.44 0.00 0.00 0.00 174.94 175.87 1cg3 h ASP 411 N 9.44 0.00 -4.84 3.58 3.45 -1.41 -3.47 116.42 123.17 1cg3 h ASP 411 Ca -0.29 0.00 -0.22 0.00 0.43 0.00 0.00 57.03 56.95 1cg3 h ASP 411 Cb 1.08 0.00 -0.21 0.00 -0.56 0.00 0.00 39.33 39.63 1cg3 h ASP 411 CO 1.15 0.32 -0.72 -0.63 -1.57 0.00 0.00 179.24 177.80 1cg3 s ILE 412 N -3.05 0.32 -0.05 0.35 1.01 -1.09 0.16 121.20 118.85 1cg3 s ILE 412 Ca 0.04 -0.97 -0.00 0.00 0.00 0.00 0.00 60.65 59.72 1cg3 s ILE 412 Cb 0.07 -0.43 0.03 0.00 0.01 0.00 0.00 42.46 42.14 1cg3 s ILE 412 CO 0.73 -0.43 -0.01 -0.63 0.00 0.00 0.00 174.94 174.60 1cg3 s ILE 413 N -1.38 0.31 -0.21 2.92 1.01 -0.02 -1.21 121.20 122.62 1cg3 s ILE 413 Ca -0.13 0.07 -0.07 0.00 0.00 0.00 0.00 60.65 60.53 1cg3 s ILE 413 Cb -0.10 -0.43 -0.04 0.00 0.01 0.00 0.00 42.46 41.91 1cg3 s ILE 413 CO -0.00 0.21 0.06 -0.55 0.00 0.00 0.00 174.94 174.66 1cg3 s SER 414 N 1.42 5.42 -0.13 3.58 0.15 0.15 -0.41 113.70 123.88 1cg3 s SER 414 Ca -0.04 -0.03 0.15 0.00 0.70 0.00 0.00 55.95 56.73 1cg3 s SER 414 Cb -0.13 -1.95 0.40 0.00 -1.71 0.00 0.00 66.02 62.64 1cg3 s SER 414 CO -0.03 0.09 1.30 0.35 1.20 0.00 0.00 173.24 176.16 1cg3 n THR 415 N 4.07 1.91 0.00 6.45 -2.24 -0.62 -2.95 114.28 120.90 1cg3 n THR 415 Ca -0.16 -1.78 0.00 0.00 -2.27 0.00 0.00 64.05 59.84 1cg3 n THR 415 Cb 0.52 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 1cg3 n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cg3 n GLY 416 N -0.58 1.25 0.18 3.38 0.00 -1.12 -0.33 105.19 107.97 1cg3 n GLY 416 Ca 0.17 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.40 1cg3 n GLY 416 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1cg3 h PRO 417 N 0.00 0.00 -6.96 1.61 0.13 -1.96 -3.44 132.00 121.39 1cg3 h PRO 417 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 1cg3 h PRO 417 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 1cg3 h PRO 417 CO 0.00 0.40 0.51 0.34 -0.23 0.00 0.00 178.00 179.02 1cg3 s ASP 418 N -6.75 6.43 0.34 1.44 2.15 -1.26 -4.15 116.67 114.87 1cg3 s ASP 418 Ca -0.02 2.35 0.13 0.00 0.43 0.00 0.00 52.55 55.44 1cg3 s ASP 418 Cb 0.13 -2.61 1.07 0.00 -0.30 0.00 0.00 42.92 41.21 1cg3 s ASP 418 CO 0.71 -0.74 1.61 -0.09 -0.17 0.00 0.00 175.17 176.50 1cg3 h ARG 419 N 2.51 0.13 0.00 4.34 2.43 -1.32 -1.95 114.38 120.51 1cg3 h ARG 419 Ca -0.49 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1cg3 h ARG 419 Cb 1.24 -0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1cg3 h ARG 419 CO 0.62 0.09 -0.41 1.79 -1.51 0.00 0.00 179.97 180.55 1cg3 h THR 420 N 0.13 0.19 -0.13 0.20 1.35 -1.90 -3.40 112.91 109.36 1cg3 h THR 420 Ca 0.73 -1.28 -0.64 0.00 -0.55 0.00 0.00 66.41 64.66 1cg3 h THR 420 Cb 1.73 1.97 -0.00 0.00 -1.73 0.00 0.00 68.15 70.11 1cg3 h THR 420 CO -0.73 0.11 2.46 -0.62 -0.25 0.00 0.00 175.52 176.49 1cg3 n GLU 421 N -3.01 2.14 -3.55 4.72 1.02 -0.74 -4.77 120.64 116.45 1cg3 n GLU 421 Ca 0.02 -2.30 -0.13 0.00 -0.02 0.00 0.00 57.16 54.72 1cg3 n GLU 421 Cb 0.59 -3.18 -0.04 0.00 -0.02 0.00 0.00 31.44 28.78 1cg3 n GLU 421 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1cg3 s THR 422 N 4.92 0.03 -0.08 2.62 2.01 -1.26 -1.60 115.64 122.27 1cg3 s THR 422 Ca 0.55 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 62.33 1cg3 s THR 422 Cb 0.12 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.62 1cg3 s THR 422 CO 0.04 -0.13 -0.13 -0.04 -0.69 0.00 0.00 174.62 173.67 1cg3 s MET 423 N -2.95 1.87 -0.34 4.92 -1.94 0.45 -4.61 119.30 116.70 1cg3 s MET 423 Ca -0.03 -0.45 -0.07 0.00 -1.71 0.00 0.00 55.69 53.43 1cg3 s MET 423 Cb -0.00 -1.59 0.04 0.00 2.01 0.00 0.00 34.83 35.29 1cg3 s MET 423 CO -0.06 -0.02 0.11 0.42 -0.01 0.00 0.00 175.02 175.46 1cg3 s ILE 424 N 0.85 3.84 -0.00 2.53 1.01 -1.26 -0.84 121.20 127.32 1cg3 s ILE 424 Ca -0.11 -1.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.33 1cg3 s ILE 424 Cb -0.15 -3.17 -0.32 0.00 0.01 0.00 0.00 42.46 38.82 1cg3 s ILE 424 CO 0.01 -0.18 0.86 -0.07 0.00 0.00 0.00 174.94 175.56 1cg3 h LEU 425 N 8.24 0.66 -7.35 2.97 3.38 -0.63 -3.45 115.31 119.13 1cg3 h LEU 425 Ca -0.23 -0.83 -0.27 0.00 0.09 0.00 0.00 57.88 56.63 1cg3 h LEU 425 Cb 1.08 -0.22 -0.34 0.00 0.09 0.00 0.00 40.66 41.28 1cg3 h LEU 425 CO 0.61 1.68 -0.62 -0.60 0.09 0.00 0.00 178.44 179.60 1cg3 s ARG 426 N -2.60 0.06 -0.12 1.13 6.06 -0.55 -5.05 118.95 117.88 1cg3 s ARG 426 Ca -0.11 0.46 -0.27 0.00 -2.50 0.00 0.00 55.73 53.30 1cg3 s ARG 426 Cb 0.05 -0.23 -0.02 0.00 0.06 0.00 0.00 34.95 34.82 1cg3 s ARG 426 CO 0.89 -0.23 0.90 0.34 -2.50 0.00 0.00 175.30 174.70 1cg3 s ASP 427 N 1.70 7.11 0.41 -2.12 3.68 -1.26 -4.61 116.67 121.58 1cg3 s ASP 427 Ca -0.03 1.36 0.16 0.00 2.13 0.00 0.00 52.55 56.16 1cg3 s ASP 427 Cb -0.12 -2.50 1.04 0.00 -1.45 0.00 0.00 42.92 39.89 1cg3 s ASP 427 CO -0.06 -0.39 1.89 -0.65 0.13 0.00 0.00 175.17 176.09 1cg3 h PRO 428 N 7.15 0.43 0.00 4.34 0.11 -1.96 -0.91 132.00 141.16 1cg3 h PRO 428 Ca -0.32 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1cg3 h PRO 428 Cb 1.15 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1cg3 h PRO 428 CO 0.83 0.28 0.00 0.74 -0.21 0.00 0.00 178.00 179.65 1cg3 h PHE 429 N 0.44 0.00 0.00 0.65 0.05 -1.93 -1.71 116.94 114.44 1cg3 h PHE 429 Ca 0.42 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 62.14 1cg3 h PHE 429 Cb 0.98 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.91 1cg3 h PHE 429 CO -0.00 0.00 -2.05 -0.25 -0.18 0.00 0.00 178.31 175.83 1cg3 n ASP 430 N -2.56 0.15 0.00 2.17 10.43 -0.40 -2.83 116.55 123.52 1cg3 n ASP 430 Ca 0.01 0.00 0.08 0.00 2.57 0.00 0.00 54.79 57.46 1cg3 n ASP 430 Cb 0.25 1.76 0.49 0.00 1.84 0.00 0.00 41.12 45.45 1cg3 n ASP 430 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13