#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg0 h ALA 0 N 0.00 1.05 -0.81 5.20 0.00 -1.97 -2.31 119.26 120.43 3fg0 h ALA 0 Ca 0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3fg0 h ALA 0 Cb 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.49 3fg0 h ALA 0 CO 0.00 0.28 0.53 0.52 0.00 0.00 0.00 179.25 180.57 3fg0 h MET 1 N 0.95 0.70 0.00 0.00 2.86 -1.99 -0.84 114.93 116.61 3fg0 h MET 1 Ca 0.33 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.88 3fg0 h MET 1 Cb 0.06 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.56 3fg0 h MET 1 CO -0.13 0.46 -0.19 0.93 1.06 0.00 0.00 176.91 179.04 3fg0 h GLU 2 N 0.72 0.00 -0.20 1.72 4.39 -1.87 -2.55 114.58 116.80 3fg0 h GLU 2 Ca 0.38 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 60.05 3fg0 h GLU 2 Cb 0.49 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3fg0 h GLU 2 CO -0.15 0.19 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.81 3fg0 h LEU 3 N 0.00 0.26 -1.86 1.33 3.38 -1.12 -2.71 115.31 114.59 3fg0 h LEU 3 Ca -0.00 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3fg0 h LEU 3 Cb 0.74 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3fg0 h LEU 3 CO 0.02 0.32 -0.07 -0.07 0.09 0.00 0.00 178.44 178.74 3fg0 h LEU 4 N 0.28 0.00 -2.29 1.67 3.38 -1.45 -2.68 115.31 114.22 3fg0 h LEU 4 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3fg0 h LEU 4 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fg0 h LEU 4 CO 0.01 0.07 -0.02 0.11 0.09 0.00 0.00 178.44 178.70 3fg0 h LYS 5 N 0.00 0.00 -0.01 1.13 1.57 -1.61 -2.68 116.57 114.97 3fg0 h LYS 5 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fg0 h LYS 5 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3fg0 h LYS 5 CO 0.01 0.02 -0.10 0.72 -0.57 0.00 0.00 179.45 179.53 3fg0 n HIS 6 N -3.19 0.00 -2.91 -1.35 8.25 -1.01 -5.02 115.22 109.99 3fg0 n HIS 6 Ca -0.02 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 3fg0 n HIS 6 Cb 0.18 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 3fg0 n HIS 6 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3fg0 s LEU 7 N -1.32 4.61 0.54 2.41 2.96 -1.01 -5.03 118.68 121.84 3fg0 s LEU 7 Ca 0.13 1.73 -0.22 0.00 -0.22 0.00 0.00 54.13 55.56 3fg0 s LEU 7 Cb 0.10 -3.39 -0.05 0.00 0.50 0.00 0.00 46.19 43.36 3fg0 s LEU 7 CO 0.21 0.19 1.34 -0.44 -1.32 0.00 0.00 176.35 176.34 3fg0 s SER 8 N -1.14 5.30 0.00 3.68 0.01 -1.26 -4.94 113.70 115.34 3fg0 s SER 8 Ca 0.37 2.73 0.10 0.00 1.31 0.00 0.00 55.95 60.46 3fg0 s SER 8 Cb -0.24 -2.63 0.23 0.00 0.21 0.00 0.00 66.02 63.59 3fg0 s SER 8 CO 0.28 -1.55 1.13 0.00 0.41 0.00 0.00 173.24 173.51 3fg0 n GLN 9 N -1.04 2.23 -4.54 12.44 6.02 -1.26 -4.99 117.38 126.24 3fg0 n GLN 9 Ca 0.10 -1.78 -0.28 0.00 -0.01 0.00 0.00 57.00 55.03 3fg0 n GLN 9 Cb 0.45 -1.24 -0.09 0.00 1.02 0.00 0.00 30.24 30.38 3fg0 n GLN 9 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fg0 s ARG 10 N -0.96 2.07 0.63 -1.09 0.52 -1.26 -0.91 118.95 117.94 3fg0 s ARG 10 Ca 0.19 -2.13 -0.11 0.00 -0.52 0.00 0.00 55.73 53.16 3fg0 s ARG 10 Cb 0.11 -1.69 -0.03 0.00 0.52 0.00 0.00 34.95 33.85 3fg0 s ARG 10 CO 0.14 -0.15 1.04 -0.65 0.02 0.00 0.00 175.30 175.70 3fg0 s GLN 11 N -3.80 3.46 -0.30 3.54 -0.21 -0.84 -4.84 119.66 116.66 3fg0 s GLN 11 Ca 0.29 0.80 0.03 0.00 0.02 0.00 0.00 55.36 56.50 3fg0 s GLN 11 Cb 0.07 -2.06 0.08 0.00 1.00 0.00 0.00 33.01 32.10 3fg0 s GLN 11 CO 0.15 -0.69 -0.01 -0.47 -2.12 0.00 0.00 175.29 172.16 3fg0 s TYR 12 N -3.14 3.22 -0.09 0.91 5.04 -0.59 -0.82 117.35 121.89 3fg0 s TYR 12 Ca 0.56 -2.51 0.01 0.00 -2.44 0.00 0.00 57.07 52.69 3fg0 s TYR 12 Cb -0.12 -2.33 0.02 0.00 0.35 0.00 0.00 41.96 39.88 3fg0 s TYR 12 CO 0.54 -0.90 -0.10 0.42 -1.34 0.00 0.00 175.55 174.17 3fg0 s ILE 13 N 1.10 1.08 -1.36 3.14 1.01 -0.42 0.12 121.20 125.87 3fg0 s ILE 13 Ca 0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.29 3fg0 s ILE 13 Cb -0.19 -1.04 0.00 0.00 0.01 0.00 0.00 42.46 41.24 3fg0 s ILE 13 CO -0.09 0.36 0.58 -0.67 0.00 0.00 0.00 174.94 175.12 3fg0 n ASP 14 N 4.36 -0.88 -0.01 3.58 2.03 -1.26 -2.19 116.55 122.18 3fg0 n ASP 14 Ca -0.18 -0.90 -0.00 0.00 0.52 0.00 0.00 54.79 54.22 3fg0 n ASP 14 Cb 0.51 -3.59 -0.00 0.00 -0.72 0.00 0.00 41.12 37.32 3fg0 n ASP 14 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3fg0 n GLY 15 N -1.76 0.43 2.94 0.27 0.00 -1.26 -4.62 105.19 101.18 3fg0 n GLY 15 Ca -0.29 -0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.56 3fg0 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg0 s GLU 16 N -0.40 0.27 -0.25 1.61 2.02 -0.93 -5.07 118.70 115.94 3fg0 s GLU 16 Ca 0.00 -0.23 -0.26 0.00 0.02 0.00 0.00 54.97 54.50 3fg0 s GLU 16 Cb 0.00 -0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.04 3fg0 s GLU 16 CO 0.00 0.05 0.90 -1.58 0.02 0.00 0.00 175.26 174.65 3fg0 s TRP 17 N -0.37 3.30 0.04 1.61 0.52 -1.26 -1.30 118.94 121.48 3fg0 s TRP 17 Ca -0.02 1.21 0.03 0.00 0.02 0.00 0.00 56.10 57.34 3fg0 s TRP 17 Cb -0.03 -3.17 -0.02 0.00 -1.15 0.00 0.00 33.47 29.10 3fg0 s TRP 17 CO -0.00 -0.46 -0.10 0.14 0.02 0.00 0.00 176.95 176.54 3fg0 s VAL 18 N 3.01 0.80 0.95 4.03 -7.23 0.00 -4.96 120.40 116.99 3fg0 s VAL 18 Ca 0.38 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.42 3fg0 s VAL 18 Cb -0.15 -0.78 0.16 0.00 0.56 0.00 0.00 36.38 36.17 3fg0 s VAL 18 CO 0.08 -0.18 1.17 -1.61 -0.31 0.00 0.00 175.10 174.24 3fg0 s GLU 19 N -1.31 0.84 0.27 4.82 2.02 -1.26 -1.98 118.70 122.09 3fg0 s GLU 19 Ca -0.04 0.12 -0.25 0.00 0.02 0.00 0.00 54.97 54.82 3fg0 s GLU 19 Cb -0.08 -1.82 -0.09 0.00 0.10 0.00 0.00 34.13 32.23 3fg0 s GLU 19 CO 0.01 -2.37 0.87 0.45 0.02 0.00 0.00 175.26 174.24 3fg0 s SER 20 N -4.20 7.32 0.00 -0.19 0.15 -1.26 -4.84 113.70 110.68 3fg0 s SER 20 Ca 0.66 1.72 0.00 0.00 0.70 0.00 0.00 55.95 59.04 3fg0 s SER 20 Cb -0.12 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 3fg0 s SER 20 CO 0.53 0.02 0.00 0.00 1.20 0.00 0.00 173.24 174.99 3fg0 n ALA 21 N 0.85 0.63 0.00 5.45 0.00 -1.26 -4.44 120.51 121.73 3fg0 n ALA 21 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3fg0 n ALA 21 Cb 0.50 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.37 3fg0 n ALA 21 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3fg0 n ASN 22 N 0.98 0.00 0.00 0.00 0.23 -1.26 -5.05 115.26 110.16 3fg0 n ASN 22 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3fg0 n ASN 22 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 3fg0 n ASN 22 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3fg0 n LYS 23 N 0.00 1.71 0.00 -3.83 0.00 -1.26 -4.97 118.16 109.81 3fg0 n LYS 23 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 3fg0 n LYS 23 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 3fg0 n LYS 23 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3fg0 n ASN 24 N 0.00 0.00 -1.37 -5.58 4.05 -1.26 -4.65 115.26 106.45 3fg0 n ASN 24 Ca 0.00 0.00 0.16 0.00 0.45 0.00 0.00 54.58 55.19 3fg0 n ASN 24 Cb 0.00 0.00 -0.07 0.00 1.23 0.00 0.00 39.78 40.94 3fg0 n ASN 24 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 177.26 174.56 3fg0 n THR 25 N -1.41 -0.40 -4.88 -0.44 -2.24 -1.26 -4.95 114.28 98.70 3fg0 n THR 25 Ca 0.00 0.64 -0.26 0.00 -2.27 0.00 0.00 64.05 62.16 3fg0 n THR 25 Cb 0.00 -1.08 -0.16 0.00 -2.10 0.00 0.00 70.33 66.99 3fg0 n THR 25 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 3fg0 s ARG 26 N -3.80 1.62 -0.16 -0.78 3.52 -0.35 -4.89 118.95 114.11 3fg0 s ARG 26 Ca 0.00 -0.65 -0.13 0.00 -0.13 0.00 0.00 55.73 54.83 3fg0 s ARG 26 Cb 0.00 -1.50 -0.05 0.00 -1.56 0.00 0.00 34.95 31.84 3fg0 s ARG 26 CO 0.00 0.34 0.25 -0.51 -0.81 0.00 0.00 175.30 174.57 3fg0 s ASP 27 N -0.26 6.39 -0.12 -2.12 1.01 -1.26 -1.14 116.67 119.17 3fg0 s ASP 27 Ca 0.03 0.45 -0.08 0.00 0.71 0.00 0.00 52.55 53.66 3fg0 s ASP 27 Cb -0.09 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.64 3fg0 s ASP 27 CO 0.00 0.14 0.16 -0.63 0.21 0.00 0.00 175.17 175.05 3fg0 s ILE 28 N 0.33 5.47 0.08 0.77 -1.09 0.71 -5.01 121.20 122.47 3fg0 s ILE 28 Ca 0.15 0.25 0.07 0.00 -2.23 0.00 0.00 60.65 58.89 3fg0 s ILE 28 Cb -0.13 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.29 3fg0 s ILE 28 CO 0.03 0.60 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.56 3fg0 s ILE 29 N -0.89 3.09 -0.31 2.92 -1.09 -1.26 -0.47 121.20 123.18 3fg0 s ILE 29 Ca 0.15 -1.28 -0.17 0.00 -2.23 0.00 0.00 60.65 57.12 3fg0 s ILE 29 Cb -0.12 -2.39 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 3fg0 s ILE 29 CO 0.04 0.19 0.47 0.21 -1.23 0.00 0.00 174.94 174.61 3fg0 s ASN 30 N -1.93 6.31 0.45 3.58 3.84 -0.64 -4.77 114.94 121.78 3fg0 s ASN 30 Ca 0.18 0.13 0.31 0.00 0.21 0.00 0.00 52.86 53.69 3fg0 s ASN 30 Cb -0.11 -2.25 1.37 0.00 -0.55 0.00 0.00 41.25 39.71 3fg0 s ASN 30 CO 0.10 -0.36 1.91 1.55 -2.79 0.00 0.00 177.10 177.52 3fg0 h PRO 31 N 8.30 0.00 -0.34 0.43 0.13 -1.81 0.36 132.00 139.08 3fg0 h PRO 31 Ca -0.29 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 3fg0 h PRO 31 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3fg0 h PRO 31 CO 0.72 0.00 -0.10 -0.92 -0.23 0.00 0.00 178.00 177.48 3fg0 h TYR 32 N 0.00 0.62 0.00 1.56 3.20 -1.90 -1.40 116.97 119.05 3fg0 h TYR 32 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3fg0 h TYR 32 Cb 0.34 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.44 3fg0 h TYR 32 CO 0.00 0.66 0.00 0.27 -1.64 0.00 0.00 178.16 177.45 3fg0 n ASN 33 N -4.20 0.51 -1.84 -2.11 0.23 -1.09 -2.93 115.26 103.83 3fg0 n ASN 33 Ca 0.01 -1.07 -0.16 0.00 -0.53 0.00 0.00 54.58 52.82 3fg0 n ASN 33 Cb 0.32 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.97 3fg0 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fg0 n GLN 34 N -0.04 -1.59 -3.17 -3.83 6.02 0.13 -4.71 117.38 110.19 3fg0 n GLN 34 Ca 0.00 0.90 -0.33 0.00 -0.01 0.00 0.00 57.00 57.55 3fg0 n GLN 34 Cb 0.18 -5.32 -0.06 0.00 1.02 0.00 0.00 30.24 26.06 3fg0 n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3fg0 s GLU 35 N -4.01 4.02 -0.16 -1.09 2.02 -1.23 -4.80 118.70 113.46 3fg0 s GLU 35 Ca 0.00 0.66 -0.29 0.00 0.02 0.00 0.00 54.97 55.36 3fg0 s GLU 35 Cb 0.00 -2.54 -0.01 0.00 0.10 0.00 0.00 34.13 31.68 3fg0 s GLU 35 CO 0.00 0.22 1.10 0.08 0.02 0.00 0.00 175.26 176.68 3fg0 s VAL 36 N -1.87 4.57 -0.39 2.63 1.01 -1.26 -1.62 120.40 123.47 3fg0 s VAL 36 Ca 0.51 1.88 0.10 0.00 0.00 0.00 0.00 61.98 64.47 3fg0 s VAL 36 Cb -0.12 -4.21 -0.11 0.00 0.00 0.00 0.00 36.38 31.94 3fg0 s VAL 36 CO 0.18 -0.10 0.38 2.30 0.00 0.00 0.00 175.10 177.87 3fg0 n ILE 37 N 5.02 0.00 -3.54 2.22 -5.35 0.38 -4.96 119.36 113.14 3fg0 n ILE 37 Ca 0.11 -0.27 -0.09 0.00 -0.27 0.00 0.00 62.75 62.23 3fg0 n ILE 37 Cb 0.47 0.90 -0.03 0.00 -1.74 0.00 0.00 39.64 39.24 3fg0 n ILE 37 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 3fg0 s PHE 38 N -2.01 -0.35 -0.06 4.28 5.36 -1.21 -5.01 117.98 118.99 3fg0 s PHE 38 Ca 0.03 0.38 0.02 0.00 -0.96 0.00 0.00 56.93 56.40 3fg0 s PHE 38 Cb 0.07 0.50 0.01 0.00 -0.34 0.00 0.00 43.02 43.26 3fg0 s PHE 38 CO 0.39 -0.45 -0.11 0.99 -1.46 0.00 0.00 175.22 174.58 3fg0 s THR 39 N -2.29 1.02 0.12 0.12 2.01 -1.26 -0.21 115.64 115.15 3fg0 s THR 39 Ca 0.02 -0.42 0.04 0.00 0.31 0.00 0.00 61.69 61.64 3fg0 s THR 39 Cb -0.01 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3fg0 s THR 39 CO -0.04 0.33 -0.09 0.68 -0.69 0.00 0.00 174.62 174.80 3fg0 s VAL 40 N 0.62 0.99 0.33 3.82 -7.23 -0.29 -4.79 120.40 113.85 3fg0 s VAL 40 Ca -0.13 -1.88 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 3fg0 s VAL 40 Cb -0.15 -1.63 -0.11 0.00 0.56 0.00 0.00 36.38 35.05 3fg0 s VAL 40 CO 0.03 -0.70 1.45 -0.55 -0.31 0.00 0.00 175.10 175.01 3fg0 s SER 41 N -2.87 6.51 -0.41 4.85 0.15 -0.09 -1.21 113.70 120.63 3fg0 s SER 41 Ca 0.11 2.89 -0.10 0.00 0.70 0.00 0.00 55.95 59.55 3fg0 s SER 41 Cb 0.01 -2.65 0.07 0.00 -1.71 0.00 0.00 66.02 61.73 3fg0 s SER 41 CO -0.01 -0.76 0.26 -0.70 1.20 0.00 0.00 173.24 173.23 3fg0 s GLU 42 N -1.55 2.69 0.76 5.44 2.56 -1.26 -4.61 118.70 122.74 3fg0 s GLU 42 Ca 0.54 -1.36 -0.11 0.00 0.00 0.00 0.00 54.97 54.05 3fg0 s GLU 42 Cb -0.44 -3.80 0.05 0.00 2.00 0.00 0.00 34.13 31.94 3fg0 s GLU 42 CO 0.55 -0.90 1.09 0.20 -0.56 0.00 0.00 175.26 175.65 3fg0 s GLY 43 N 2.02 1.69 0.35 -1.50 0.00 0.12 -4.76 107.32 105.24 3fg0 s GLY 43 Ca 0.03 0.26 0.08 0.00 0.00 0.00 0.00 44.72 45.08 3fg0 s GLY 43 CO 0.04 0.60 0.23 -0.51 0.00 0.00 0.00 173.10 173.46 3fg0 s THR 44 N -2.90 3.20 0.49 0.90 -4.23 -1.26 -4.82 115.64 107.02 3fg0 s THR 44 Ca 0.61 -1.52 0.16 0.00 -1.18 0.00 0.00 61.69 59.76 3fg0 s THR 44 Cb -0.17 -3.07 0.24 0.00 1.34 0.00 0.00 72.50 70.83 3fg0 s THR 44 CO 0.55 -0.16 2.09 0.07 -0.54 0.00 0.00 174.62 176.63 3fg0 h LYS 45 N 1.37 0.00 -0.45 3.99 2.10 -1.94 -1.39 116.57 120.24 3fg0 h LYS 45 Ca -0.44 0.00 -0.08 0.00 -2.00 0.00 0.00 60.65 58.13 3fg0 h LYS 45 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.56 3fg0 h LYS 45 CO 0.61 0.08 -0.05 0.93 -2.00 0.00 0.00 179.45 179.02 3fg0 h GLU 46 N 0.00 0.77 -0.33 0.07 3.07 -1.95 -0.52 114.58 115.68 3fg0 h GLU 46 Ca -0.00 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 58.61 3fg0 h GLU 46 Cb 0.14 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 3fg0 h GLU 46 CO 0.01 0.81 0.11 -0.44 -1.40 0.00 0.00 179.01 178.10 3fg0 h ASP 47 N 0.71 0.48 -0.67 1.42 3.32 -1.67 -0.59 116.42 119.42 3fg0 h ASP 47 Ca 0.13 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3fg0 h ASP 47 Cb 0.50 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 3fg0 h ASP 47 CO 0.03 0.55 0.44 0.00 -1.72 0.00 0.00 179.24 178.53 3fg0 h ALA 48 N 0.95 0.86 -0.52 3.45 0.00 -1.13 -0.33 119.26 122.54 3fg0 h ALA 48 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 48 Cb 0.23 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3fg0 h ALA 48 CO -0.00 0.27 0.33 0.93 0.00 0.00 0.00 179.25 180.77 3fg0 h GLU 49 N 0.90 0.69 -0.62 0.00 5.08 -0.94 -1.21 114.58 118.48 3fg0 h GLU 49 Ca 0.25 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3fg0 h GLU 49 Cb -0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.99 3fg0 h GLU 49 CO -0.06 0.48 0.04 -0.09 -1.00 0.00 0.00 179.01 178.38 3fg0 h ARG 50 N 0.70 1.07 -0.52 2.33 2.43 -0.64 -1.26 114.38 118.48 3fg0 h ARG 50 Ca 0.19 -0.32 -0.06 0.00 -0.81 0.00 0.00 59.98 58.98 3fg0 h ARG 50 Cb -0.05 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 3fg0 h ARG 50 CO -0.04 1.02 0.11 0.00 -1.51 0.00 0.00 179.97 179.55 3fg0 h ALA 51 N 1.01 0.69 -0.44 2.80 0.00 -0.83 -0.37 119.26 122.12 3fg0 h ALA 51 Ca 0.18 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3fg0 h ALA 51 Cb 0.51 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3fg0 h ALA 51 CO 0.02 0.40 0.20 0.82 0.00 0.00 0.00 179.25 180.70 3fg0 h ILE 52 N 0.74 1.19 -0.40 0.00 2.04 -0.99 0.01 117.51 120.10 3fg0 h ILE 52 Ca 0.16 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 3fg0 h ILE 52 Cb 0.36 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 3fg0 h ILE 52 CO 0.00 0.21 0.07 -0.07 0.00 0.00 0.00 178.15 178.36 3fg0 h LEU 53 N 0.57 0.55 -0.43 1.44 3.38 -1.11 -0.17 115.31 119.54 3fg0 h LEU 53 Ca 0.15 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3fg0 h LEU 53 Cb 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3fg0 h LEU 53 CO -0.02 0.58 -0.28 0.00 0.09 0.00 0.00 178.44 178.80 3fg0 h ALA 54 N 1.50 0.62 -0.74 1.53 0.00 -0.64 -0.31 119.26 121.22 3fg0 h ALA 54 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 3fg0 h ALA 54 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3fg0 h ALA 54 CO 0.00 0.65 0.22 0.00 0.00 0.00 0.00 179.25 180.13 3fg0 h ALA 55 N 0.82 0.98 -0.28 0.00 0.00 -0.54 0.18 119.26 120.42 3fg0 h ALA 55 Ca 0.09 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3fg0 h ALA 55 Cb 0.87 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3fg0 h ALA 55 CO 0.08 0.67 -0.03 -0.09 0.00 0.00 0.00 179.25 179.88 3fg0 h ARG 56 N 1.11 0.52 -0.37 0.00 9.65 -0.88 0.04 114.38 124.46 3fg0 h ARG 56 Ca 0.24 -0.18 0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3fg0 h ARG 56 Cb 0.33 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.83 3fg0 h ARG 56 CO -0.01 0.70 0.16 -0.09 2.80 0.00 0.00 179.97 183.53 3fg0 h ARG 57 N 0.29 0.32 -0.65 0.20 2.43 -0.69 -1.27 114.38 115.02 3fg0 h ARG 57 Ca 0.08 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.21 3fg0 h ARG 57 Cb 0.49 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 3fg0 h ARG 57 CO 0.02 0.21 0.33 0.00 -1.51 0.00 0.00 179.97 179.02 3fg0 h ALA 58 N 1.22 0.83 -0.32 2.80 0.00 -0.88 -1.28 119.26 121.63 3fg0 h ALA 58 Ca 0.16 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 58 Cb 0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3fg0 h ALA 58 CO -0.14 0.38 0.13 0.35 0.00 0.00 0.00 179.25 179.97 3fg0 h PHE 59 N 0.89 0.24 0.00 0.00 3.57 -0.39 -2.49 116.94 118.77 3fg0 h PHE 59 Ca 0.23 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.67 3fg0 h PHE 59 Cb 0.09 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 3fg0 h PHE 59 CO -0.00 0.12 -0.34 0.93 -2.23 0.00 0.00 178.31 176.78 3fg0 h GLU 60 N 0.28 0.00 0.00 1.11 4.39 -1.05 -2.27 114.58 117.04 3fg0 h GLU 60 Ca 0.14 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3fg0 h GLU 60 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 3fg0 h GLU 60 CO -0.12 0.34 -0.17 0.66 -1.16 0.00 0.00 179.01 178.55 3fg0 h SER 61 N 0.00 0.00 0.00 1.42 4.64 -0.77 -3.46 113.55 115.38 3fg0 h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fg0 h SER 61 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 3fg0 h SER 61 CO 0.04 0.17 0.00 0.61 -0.87 0.00 0.00 176.83 176.79 3fg0 n GLY 62 N -0.60 1.08 0.36 -0.77 0.00 -0.85 -4.91 105.19 99.49 3fg0 n GLY 62 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 3fg0 n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg0 h GLU 63 N 2.73 0.78 0.00 1.61 5.08 -1.84 -0.57 114.58 122.36 3fg0 h GLU 63 Ca 0.00 -0.05 -0.36 0.00 -1.00 0.00 0.00 59.36 57.95 3fg0 h GLU 63 Cb 0.00 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.02 3fg0 h GLU 63 CO 0.00 0.52 -2.27 1.87 -1.00 0.00 0.00 179.01 178.13 3fg0 n TRP 64 N -4.49 0.00 0.27 4.33 -0.00 -1.26 -3.98 117.44 112.30 3fg0 n TRP 64 Ca 0.12 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.76 3fg0 n TRP 64 Cb 0.26 -0.83 0.77 0.00 -0.00 0.00 0.00 31.31 31.51 3fg0 n TRP 64 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3fg0 h SER 65 N -0.42 0.00 -0.17 5.87 4.64 -1.57 -1.83 113.55 120.07 3fg0 h SER 65 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3fg0 h SER 65 Cb 1.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 3fg0 h SER 65 CO -0.22 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.83 3fg0 n GLN 66 N -3.67 1.63 -1.41 4.77 1.13 -0.23 -4.90 117.38 114.72 3fg0 n GLN 66 Ca -0.02 -1.65 -0.34 0.00 -1.94 0.00 0.00 57.00 53.05 3fg0 n GLN 66 Cb 0.20 -1.29 0.09 0.00 0.11 0.00 0.00 30.24 29.35 3fg0 n GLN 66 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fg0 s GLU 67 N -1.11 2.13 0.47 -1.09 2.56 -0.69 -4.94 118.70 116.03 3fg0 s GLU 67 Ca 0.21 1.70 -0.23 0.00 0.00 0.00 0.00 54.97 56.66 3fg0 s GLU 67 Cb 0.13 -1.84 -0.07 0.00 2.00 0.00 0.00 34.13 34.35 3fg0 s GLU 67 CO 0.18 -1.83 1.19 0.95 -0.56 0.00 0.00 175.26 175.19 3fg0 s THR 68 N -2.07 2.95 0.29 -1.70 -4.23 -1.26 -4.86 115.64 104.76 3fg0 s THR 68 Ca 0.73 0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 61.95 3fg0 s THR 68 Cb -0.28 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.48 3fg0 s THR 68 CO 0.46 -0.01 1.92 0.00 -0.54 0.00 0.00 174.62 176.45 3fg0 h ALA 69 N 1.95 1.46 -0.44 3.99 0.00 -1.92 -1.04 119.26 123.27 3fg0 h ALA 69 Ca -0.50 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.43 3fg0 h ALA 69 Cb 1.26 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.71 3fg0 h ALA 69 CO 0.60 0.42 0.19 1.49 0.00 0.00 0.00 179.25 181.95 3fg0 h GLU 70 N 1.09 0.37 -0.46 0.00 4.81 -1.90 -0.83 114.58 117.65 3fg0 h GLU 70 Ca 0.38 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.46 3fg0 h GLU 70 Cb 0.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3fg0 h GLU 70 CO -0.13 0.24 -0.19 1.15 -0.73 0.00 0.00 179.01 179.35 3fg0 h THR 71 N 0.38 1.27 -0.84 0.32 2.02 -1.79 -2.00 112.91 112.26 3fg0 h THR 71 Ca 0.20 -1.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.04 3fg0 h THR 71 Cb 0.15 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 3fg0 h THR 71 CO -0.17 0.46 0.51 0.03 0.37 0.00 0.00 175.52 176.72 3fg0 h ARG 72 N 0.79 1.14 -0.88 6.66 3.08 -0.97 -2.22 114.38 121.98 3fg0 h ARG 72 Ca 0.11 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3fg0 h ARG 72 Cb 0.74 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.49 3fg0 h ARG 72 CO 0.06 0.79 0.57 0.78 -1.07 0.00 0.00 179.97 181.10 3fg0 h GLY 73 N 1.15 1.29 1.04 0.04 0.00 -0.86 -1.64 103.07 104.10 3fg0 h GLY 73 Ca 0.30 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3fg0 h GLY 73 CO -0.06 0.35 0.41 0.50 0.00 0.00 0.00 176.54 177.74 3fg0 h LYS 74 N 1.08 1.23 -0.41 4.80 1.57 -0.80 0.00 116.57 124.05 3fg0 h LYS 74 Ca 0.36 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.83 3fg0 h LYS 74 Cb 0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 3fg0 h LYS 74 CO -0.13 0.94 -0.27 0.87 -0.57 0.00 0.00 179.45 180.30 3fg0 h LYS 75 N 1.22 0.86 -0.34 3.15 1.79 -1.07 -0.98 116.57 121.20 3fg0 h LYS 75 Ca 0.29 -0.38 -0.11 0.00 -2.18 0.00 0.00 60.65 58.28 3fg0 h LYS 75 Cb 0.12 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.73 3fg0 h LYS 75 CO -0.04 1.02 -0.23 0.28 -1.08 0.00 0.00 179.45 179.40 3fg0 h VAL 76 N 0.73 1.27 -0.82 0.50 2.07 -0.99 -1.32 116.25 117.69 3fg0 h VAL 76 Ca 0.09 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 3fg0 h VAL 76 Cb 0.82 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.82 3fg0 h VAL 76 CO 0.07 0.43 0.35 -0.09 0.02 0.00 0.00 177.57 178.35 3fg0 h ARG 77 N 0.58 1.20 -0.65 1.57 1.12 -0.79 -1.93 114.38 115.49 3fg0 h ARG 77 Ca 0.08 -0.21 -0.03 0.00 -1.11 0.00 0.00 59.98 58.71 3fg0 h ARG 77 Cb 0.71 -0.20 -0.03 0.00 -0.01 0.00 0.00 29.97 30.44 3fg0 h ARG 77 CO 0.05 0.96 0.27 0.00 -3.11 0.00 0.00 179.97 178.15 3fg0 h ALA 78 N 1.19 1.26 -0.45 2.80 0.00 -0.44 -1.16 119.26 122.45 3fg0 h ALA 78 Ca 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fg0 h ALA 78 Cb 0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fg0 h ALA 78 CO -0.03 0.55 0.19 0.82 0.00 0.00 0.00 179.25 180.79 3fg0 h ILE 79 N 0.93 1.19 -0.73 0.00 2.04 -0.83 -2.20 117.51 117.92 3fg0 h ILE 79 Ca 0.22 -0.58 0.10 0.00 1.00 0.00 0.00 64.86 65.60 3fg0 h ILE 79 Cb 0.16 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 36.91 3fg0 h ILE 79 CO -0.02 0.22 0.35 0.00 0.00 0.00 0.00 178.15 178.69 3fg0 h ALA 80 N 1.04 1.01 -0.36 1.87 0.00 -0.59 -0.98 119.26 121.25 3fg0 h ALA 80 Ca 0.15 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3fg0 h ALA 80 Cb 0.16 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3fg0 h ALA 80 CO -0.02 -0.08 -0.11 -0.44 0.00 0.00 0.00 179.25 178.61 3fg0 h ASP 81 N 0.57 0.61 -0.77 0.00 3.32 -0.97 -2.37 116.42 116.82 3fg0 h ASP 81 Ca 0.37 -0.17 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 3fg0 h ASP 81 Cb 0.43 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3fg0 h ASP 81 CO -0.30 0.75 0.27 0.11 -1.72 0.00 0.00 179.24 178.36 3fg0 h LYS 82 N 0.58 1.17 -0.53 3.56 1.79 -0.58 -1.14 116.57 121.41 3fg0 h LYS 82 Ca 0.10 -0.23 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 3fg0 h LYS 82 Cb 0.53 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 30.97 3fg0 h LYS 82 CO 0.03 0.97 0.26 0.82 -1.08 0.00 0.00 179.45 180.45 3fg0 h ILE 83 N 1.13 1.20 -0.38 1.86 1.08 -0.84 -1.10 117.51 120.47 3fg0 h ILE 83 Ca 0.25 -0.56 -0.09 0.00 -0.39 0.00 0.00 64.86 64.08 3fg0 h ILE 83 Cb 0.27 0.58 -0.01 0.00 -3.07 0.00 0.00 36.82 34.59 3fg0 h ILE 83 CO -0.01 0.22 -0.10 0.50 -0.69 0.00 0.00 178.15 178.07 3fg0 h LYS 84 N 0.72 0.73 -1.01 2.37 3.64 -1.25 -0.69 116.57 121.08 3fg0 h LYS 84 Ca 0.18 -0.28 0.08 0.00 -1.27 0.00 0.00 60.65 59.36 3fg0 h LYS 84 Cb 0.12 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.82 3fg0 h LYS 84 CO -0.02 0.88 0.65 1.49 -2.27 0.00 0.00 179.45 180.18 3fg0 h GLU 85 N 0.53 1.09 -0.47 1.90 4.81 -0.96 -2.55 114.58 118.93 3fg0 h GLU 85 Ca 0.09 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.16 3fg0 h GLU 85 Cb 0.62 -0.24 -0.06 0.00 0.63 0.00 0.00 28.75 29.69 3fg0 h GLU 85 CO 0.04 0.72 0.08 0.72 -0.73 0.00 0.00 179.01 179.84 3fg0 n HIS 86 N -4.54 1.59 -0.32 0.92 8.25 -0.44 -4.72 115.22 115.96 3fg0 n HIS 86 Ca 0.17 -1.09 0.01 0.00 -0.26 0.00 0.00 57.72 56.55 3fg0 n HIS 86 Cb 0.24 -0.49 0.15 0.00 1.12 0.00 0.00 29.99 31.01 3fg0 n HIS 86 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 3fg0 h ARG 87 N 2.19 0.99 -0.11 -0.41 0.11 -0.69 -1.06 114.38 115.41 3fg0 h ARG 87 Ca 0.12 -0.06 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 3fg0 h ARG 87 Cb 1.84 -0.22 -0.00 0.00 1.11 0.00 0.00 29.97 32.69 3fg0 h ARG 87 CO 0.45 0.66 0.01 1.49 0.10 0.00 0.00 179.97 182.68 3fg0 h GLU 88 N 1.02 0.18 -0.43 0.08 4.81 -1.84 0.32 114.58 118.72 3fg0 h GLU 88 Ca 0.39 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3fg0 h GLU 88 Cb 0.17 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3fg0 h GLU 88 CO -0.17 0.39 0.24 0.00 -0.73 0.00 0.00 179.01 178.73 3fg0 h ALA 89 N 0.78 0.55 -0.61 2.92 0.00 -1.84 -1.97 119.26 119.09 3fg0 h ALA 89 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3fg0 h ALA 89 Cb 0.30 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3fg0 h ALA 89 CO 0.00 0.08 0.24 -0.07 0.00 0.00 0.00 179.25 179.50 3fg0 h LEU 90 N 0.56 0.85 -0.85 0.00 3.38 -1.17 -0.68 115.31 117.40 3fg0 h LEU 90 Ca 0.15 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3fg0 h LEU 90 Cb 0.06 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3fg0 h LEU 90 CO -0.02 0.79 0.55 0.00 0.09 0.00 0.00 178.44 179.85 3fg0 h ALA 91 N 1.09 1.09 -0.31 1.53 0.00 -0.74 -1.16 119.26 120.77 3fg0 h ALA 91 Ca 0.20 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 91 Cb 0.21 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 3fg0 h ALA 91 CO -0.02 0.43 -0.46 0.00 0.00 0.00 0.00 179.25 179.20 3fg0 h ARG 92 N 1.10 0.82 -0.75 0.00 3.08 -1.03 -1.58 114.38 116.03 3fg0 h ARG 92 Ca 0.32 -0.47 -0.05 0.00 0.07 0.00 0.00 59.98 59.86 3fg0 h ARG 92 Cb -0.06 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 29.99 3fg0 h ARG 92 CO -0.09 1.10 0.28 -0.07 -1.07 0.00 0.00 179.97 180.12 3fg0 h LEU 93 N 0.65 1.05 -0.59 3.04 3.38 -0.83 0.24 115.31 122.24 3fg0 h LEU 93 Ca 0.04 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.74 3fg0 h LEU 93 Cb 1.04 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3fg0 h LEU 93 CO 0.10 0.95 0.04 -0.08 0.09 0.00 0.00 178.44 179.54 3fg0 h GLU 94 N 1.09 1.02 -0.51 1.13 4.57 -0.96 -0.97 114.58 119.95 3fg0 h GLU 94 Ca 0.25 -0.31 -0.08 0.00 -1.18 0.00 0.00 59.36 58.04 3fg0 h GLU 94 Cb 0.24 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.71 3fg0 h GLU 94 CO -0.02 0.99 0.01 1.15 -1.18 0.00 0.00 179.01 179.96 3fg0 h THR 95 N 0.92 1.26 -0.81 0.32 2.02 -0.99 0.17 112.91 115.81 3fg0 h THR 95 Ca 0.17 -1.07 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 3fg0 h THR 95 Cb 0.51 0.94 -0.04 0.00 -1.74 0.00 0.00 68.15 67.82 3fg0 h THR 95 CO 0.02 0.38 0.49 0.25 0.37 0.00 0.00 175.52 177.04 3fg0 h LEU 96 N 0.77 0.96 0.23 2.58 5.85 -0.75 -0.05 115.31 124.91 3fg0 h LEU 96 Ca 0.15 -0.06 -0.34 0.00 0.84 0.00 0.00 57.88 58.47 3fg0 h LEU 96 Cb 0.51 -0.24 0.03 0.00 0.37 0.00 0.00 40.66 41.33 3fg0 h LEU 96 CO 0.02 0.74 -1.53 -0.78 -0.34 0.00 0.00 178.44 176.55 3fg0 h ASP 97 N 1.10 0.76 0.00 1.25 3.58 -1.02 -3.40 116.42 118.70 3fg0 h ASP 97 Ca 0.29 -0.87 0.00 0.00 0.42 0.00 0.00 57.03 56.87 3fg0 h ASP 97 Cb -0.06 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.75 3fg0 h ASP 97 CO -0.06 1.70 -1.40 0.35 -2.88 0.00 0.00 179.24 176.95 3fg0 n THR 98 N -3.67 0.00 -0.08 2.25 -2.24 0.03 -4.57 114.28 106.00 3fg0 n THR 98 Ca -0.18 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 3fg0 n THR 98 Cb 1.09 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 3fg0 n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg0 n GLY 99 N 1.51 1.53 3.75 3.38 0.00 -0.03 -4.75 105.19 110.59 3fg0 n GLY 99 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3fg0 n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg0 s LYS 100 N -0.45 2.18 0.59 1.61 -2.85 -1.26 -4.25 119.74 115.32 3fg0 s LYS 100 Ca 0.00 1.31 -0.20 0.00 -1.00 0.00 0.00 55.97 56.08 3fg0 s LYS 100 Cb 0.00 -1.88 -0.03 0.00 -2.06 0.00 0.00 37.83 33.86 3fg0 s LYS 100 CO 0.00 -1.72 1.27 0.95 0.10 0.00 0.00 175.35 175.95 3fg0 s THR 101 N -2.69 2.36 0.38 3.79 -4.23 -1.26 -4.57 115.64 109.41 3fg0 s THR 101 Ca 0.64 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 61.43 3fg0 s THR 101 Cb -0.19 -3.10 0.26 0.00 1.34 0.00 0.00 72.50 70.81 3fg0 s THR 101 CO 0.53 -0.03 2.03 0.25 -0.54 0.00 0.00 174.62 176.85 3fg0 h LEU 102 N 1.01 0.62 -0.93 4.79 5.85 -1.40 -1.66 115.31 123.59 3fg0 h LEU 102 Ca -0.51 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.15 3fg0 h LEU 102 Cb 1.31 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 3fg0 h LEU 102 CO 0.55 0.45 0.18 -0.08 -0.34 0.00 0.00 178.44 179.20 3fg0 h GLU 103 N 0.74 0.96 -0.68 1.25 4.81 -1.91 -0.01 114.58 119.73 3fg0 h GLU 103 Ca 0.20 -0.20 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 3fg0 h GLU 103 Cb -0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.12 3fg0 h GLU 103 CO -0.04 0.83 0.23 0.93 -0.73 0.00 0.00 179.01 180.23 3fg0 h GLU 104 N 0.92 1.05 -0.58 1.92 5.08 -1.73 -1.87 114.58 119.39 3fg0 h GLU 104 Ca 0.20 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 3fg0 h GLU 104 Cb 0.29 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3fg0 h GLU 104 CO -0.01 0.90 0.12 0.77 -1.00 0.00 0.00 179.01 179.80 3fg0 h SER 105 N 0.99 0.89 -0.63 1.42 0.02 -0.63 -1.29 113.55 114.33 3fg0 h SER 105 Ca 0.22 -0.25 0.04 0.00 -0.84 0.00 0.00 61.79 60.97 3fg0 h SER 105 Cb 0.28 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.54 3fg0 h SER 105 CO -0.01 0.91 0.37 1.88 -1.14 0.00 0.00 176.83 178.84 3fg0 h TYR 106 N 0.84 0.68 -0.80 3.45 0.05 -0.85 -1.25 116.97 119.10 3fg0 h TYR 106 Ca 0.18 0.02 0.02 0.00 0.05 0.00 0.00 58.73 59.00 3fg0 h TYR 106 Cb 0.38 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 3fg0 h TYR 106 CO 0.03 0.36 0.52 0.00 -1.05 0.00 0.00 178.16 178.02 3fg0 h ALA 107 N 1.30 1.03 -0.36 3.88 0.00 -0.99 -1.48 119.26 122.64 3fg0 h ALA 107 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3fg0 h ALA 107 Cb 0.10 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3fg0 h ALA 107 CO -0.14 0.38 0.18 -0.44 0.00 0.00 0.00 179.25 179.24 3fg0 h ASP 108 N 1.04 0.28 -0.36 0.00 3.45 -0.80 -1.73 116.42 118.31 3fg0 h ASP 108 Ca 0.30 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.72 3fg0 h ASP 108 Cb -0.07 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.64 3fg0 h ASP 108 CO -0.08 0.20 0.05 0.24 -1.57 0.00 0.00 179.24 178.08 3fg0 h MET 109 N 0.38 0.69 -0.66 3.56 2.86 -0.39 0.19 114.93 121.55 3fg0 h MET 109 Ca 0.15 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 3fg0 h MET 109 Cb 0.05 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3fg0 h MET 109 CO -0.10 0.68 0.09 -0.44 1.06 0.00 0.00 176.91 178.20 3fg0 h ASP 110 N 0.66 1.07 -0.51 1.22 3.32 -1.12 -1.42 116.42 119.63 3fg0 h ASP 110 Ca 0.14 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 3fg0 h ASP 110 Cb 0.34 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3fg0 h ASP 110 CO 0.01 1.06 0.04 -0.78 -1.72 0.00 0.00 179.24 177.85 3fg0 h ASP 111 N 1.03 0.85 -0.32 6.45 3.58 -0.39 -2.44 116.42 125.18 3fg0 h ASP 111 Ca 0.20 -0.29 -0.02 0.00 0.42 0.00 0.00 57.03 57.34 3fg0 h ASP 111 Cb 0.46 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.27 3fg0 h ASP 111 CO 0.02 0.93 0.13 0.40 -2.88 0.00 0.00 179.24 177.84 3fg0 h ILE 112 N 0.75 1.18 -0.60 2.25 2.04 -0.44 0.44 117.51 123.13 3fg0 h ILE 112 Ca 0.15 -0.54 0.12 0.00 1.00 0.00 0.00 64.86 65.59 3fg0 h ILE 112 Cb 0.47 0.94 -0.10 0.00 -0.74 0.00 0.00 36.82 37.40 3fg0 h ILE 112 CO 0.02 0.19 0.03 -0.74 0.00 0.00 0.00 178.15 177.65 3fg0 h HIS 113 N 0.37 0.01 -0.13 1.37 2.76 -1.19 -1.60 115.15 116.75 3fg0 h HIS 113 Ca 0.11 0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 58.21 3fg0 h HIS 113 Cb 0.18 0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.21 3fg0 h HIS 113 CO -0.01 -0.13 -0.40 -0.91 -1.30 0.00 0.00 177.93 175.18 3fg0 h ASN 114 N 0.14 0.29 0.23 3.26 2.35 -0.85 -0.35 115.58 120.65 3fg0 h ASN 114 Ca 0.31 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3fg0 h ASN 114 Cb 0.50 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.79 3fg0 h ASN 114 CO -0.49 0.66 -0.11 0.58 -1.65 0.00 0.00 177.43 176.42 3fg0 h VAL 115 N 0.23 0.82 -0.95 2.81 2.07 -0.48 0.58 116.25 121.35 3fg0 h VAL 115 Ca 0.02 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3fg0 h VAL 115 Cb 0.81 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3fg0 h VAL 115 CO 0.06 0.07 0.60 -0.26 0.02 0.00 0.00 177.57 178.06 3fg0 h PHE 116 N -0.47 1.22 -0.60 1.57 0.04 -1.17 -2.11 116.94 115.42 3fg0 h PHE 116 Ca -0.03 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.65 3fg0 h PHE 116 Cb 0.35 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.08 3fg0 h PHE 116 CO -0.02 0.79 -0.02 1.98 -0.60 0.00 0.00 178.31 180.45 3fg0 h MET 117 N 1.30 1.07 0.11 1.51 4.05 -0.86 -0.35 114.93 121.76 3fg0 h MET 117 Ca 0.34 -0.35 -0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3fg0 h MET 117 Cb -0.10 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 30.61 3fg0 h MET 117 CO -0.07 1.05 -0.06 -0.92 0.23 0.00 0.00 176.91 177.14 3fg0 h TYR 118 N 0.96 -0.16 0.00 1.39 3.20 -0.58 -2.01 116.97 119.78 3fg0 h TYR 118 Ca 0.17 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.95 3fg0 h TYR 118 Cb 0.58 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.89 3fg0 h TYR 118 CO 0.04 -0.10 -0.43 0.74 -1.64 0.00 0.00 178.16 176.77 3fg0 h PHE 119 N -0.16 0.00 -0.50 -3.82 0.04 -1.25 -1.61 116.94 109.64 3fg0 h PHE 119 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3fg0 h PHE 119 Cb 0.13 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.26 3fg0 h PHE 119 CO -0.08 0.43 0.33 0.00 -0.60 0.00 0.00 178.31 178.39 3fg0 h ALA 120 N 1.57 0.64 0.00 2.45 0.00 -0.85 -1.84 119.26 121.22 3fg0 h ALA 120 Ca -0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3fg0 h ALA 120 Cb 0.79 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3fg0 h ALA 120 CO 0.06 0.08 -0.33 0.78 0.00 0.00 0.00 179.25 179.84 3fg0 h GLY 121 N 0.68 0.00 1.69 0.00 0.00 -1.05 -3.14 103.07 101.25 3fg0 h GLY 121 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.48 3fg0 h GLY 121 CO -0.04 0.00 -0.46 -2.00 0.00 0.00 0.00 176.54 174.04 3fg0 h LEU 122 N 0.00 0.00 -0.82 3.11 5.85 -0.84 -3.41 115.31 119.21 3fg0 h LEU 122 Ca -0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 3fg0 h LEU 122 Cb 0.71 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.62 3fg0 h LEU 122 CO 0.04 0.16 0.24 0.00 -0.34 0.00 0.00 178.44 178.54 3fg0 h ALA 123 N 1.84 1.15 -0.61 1.25 0.00 -1.30 -1.97 119.26 119.62 3fg0 h ALA 123 Ca -0.02 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 123 Cb 1.13 0.24 -0.10 0.00 0.00 0.00 0.00 17.79 19.07 3fg0 h ALA 123 CO 0.02 -0.37 0.17 -0.40 0.00 0.00 0.00 179.25 178.67 3fg0 n ASP 124 N -5.15 4.53 -0.28 0.00 5.75 -1.26 -4.59 116.55 115.54 3fg0 n ASP 124 Ca 0.18 -3.23 0.10 0.00 -0.01 0.00 0.00 54.79 51.83 3fg0 n ASP 124 Cb 0.57 -0.70 -0.05 0.00 -1.03 0.00 0.00 41.12 39.91 3fg0 n ASP 124 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fg0 n LYS 125 N -0.26 0.88 -3.21 0.11 4.76 -0.74 -4.86 118.16 114.84 3fg0 n LYS 125 Ca 0.36 -0.57 -0.01 0.00 -2.87 0.00 0.00 58.31 55.22 3fg0 n LYS 125 Cb 1.26 -1.45 -0.02 0.00 -1.84 0.00 0.00 35.03 32.98 3fg0 n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3fg0 s ASP 126 N -2.61 -0.84 0.00 4.39 -1.08 -1.26 -5.02 116.67 110.25 3fg0 s ASP 126 Ca 0.14 -0.07 0.22 0.00 -0.52 0.00 0.00 52.55 52.31 3fg0 s ASP 126 Cb 0.16 1.67 0.52 0.00 -1.46 0.00 0.00 42.92 43.82 3fg0 s ASP 126 CO 0.66 -0.32 1.45 0.61 0.52 0.00 0.00 175.17 178.10 3fg0 n GLY 127 N 5.35 1.73 0.00 2.66 0.00 -1.26 -4.89 105.19 108.79 3fg0 n GLY 127 Ca 0.04 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.35 3fg0 n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg0 n GLY 128 N 1.49 0.76 3.11 -0.02 0.00 -1.26 -1.77 105.19 107.50 3fg0 n GLY 128 Ca 0.20 -2.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 3fg0 n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg0 s GLU 129 N -1.12 0.67 -0.13 1.61 2.02 0.25 -4.98 118.70 117.01 3fg0 s GLU 129 Ca 0.00 -1.01 -0.10 0.00 0.02 0.00 0.00 54.97 53.88 3fg0 s GLU 129 Cb 0.00 -0.29 -0.05 0.00 0.10 0.00 0.00 34.13 33.90 3fg0 s GLU 129 CO 0.00 0.03 0.20 -1.64 0.02 0.00 0.00 175.26 173.87 3fg0 s MET 130 N -2.51 3.86 -0.08 1.61 -1.94 -1.26 -0.63 119.30 118.35 3fg0 s MET 130 Ca -0.01 -0.04 -0.00 0.00 -1.71 0.00 0.00 55.69 53.93 3fg0 s MET 130 Cb -0.04 -3.30 -0.03 0.00 2.01 0.00 0.00 34.83 33.47 3fg0 s MET 130 CO -0.02 0.54 -0.04 0.42 -0.01 0.00 0.00 175.02 175.91 3fg0 s ILE 131 N -0.37 3.93 -0.83 2.53 -1.09 -0.03 -4.96 121.20 120.37 3fg0 s ILE 131 Ca 0.14 -0.39 -0.24 0.00 -2.23 0.00 0.00 60.65 57.93 3fg0 s ILE 131 Cb -0.12 -2.63 0.06 0.00 -1.58 0.00 0.00 42.46 38.19 3fg0 s ILE 131 CO 0.03 0.60 1.25 -1.81 -1.23 0.00 0.00 174.94 173.78 3fg0 s ASP 132 N -0.80 6.32 0.29 3.58 1.01 -1.26 -4.22 116.67 121.58 3fg0 s ASP 132 Ca 0.12 -1.06 -0.29 0.00 0.71 0.00 0.00 52.55 52.03 3fg0 s ASP 132 Cb -0.11 -2.51 -0.10 0.00 1.01 0.00 0.00 42.92 41.20 3fg0 s ASP 132 CO 0.02 -1.56 1.37 -0.55 0.21 0.00 0.00 175.17 174.65 3fg0 s SER 133 N 4.08 6.72 0.00 0.27 0.15 -1.26 -4.93 113.70 118.73 3fg0 s SER 133 Ca 0.35 2.67 0.30 0.00 0.70 0.00 0.00 55.95 59.97 3fg0 s SER 133 Cb -0.07 -2.64 1.55 0.00 -1.71 0.00 0.00 66.02 63.15 3fg0 s SER 133 CO 0.04 -0.62 2.04 -0.81 1.20 0.00 0.00 173.24 175.09 3fg0 n PRO 134 N 1.58 0.92 -3.65 5.44 -0.04 -1.26 -4.72 135.00 133.28 3fg0 n PRO 134 Ca 0.03 -0.20 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 3fg0 n PRO 134 Cb 0.41 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 3fg0 n PRO 134 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg0 s ILE 135 N -2.21 5.06 0.63 0.52 1.01 -1.26 -5.08 121.20 119.86 3fg0 s ILE 135 Ca 0.39 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.93 3fg0 s ILE 135 Cb 0.21 -3.39 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 3fg0 s ILE 135 CO 0.41 0.28 1.22 -2.65 0.00 0.00 0.00 174.94 174.20 3fg0 n PRO 136 N 4.93 1.10 -3.59 2.79 -0.02 -1.26 -3.33 135.00 135.63 3fg0 n PRO 136 Ca -0.15 0.43 -0.21 0.00 -2.02 0.00 0.00 63.50 61.55 3fg0 n PRO 136 Cb 0.52 -2.45 0.07 0.00 -0.02 0.00 0.00 33.50 31.62 3fg0 n PRO 136 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fg0 n ASP 137 N -1.56 -3.25 -3.86 2.55 8.00 -1.26 -4.94 116.55 112.23 3fg0 n ASP 137 Ca 0.15 -0.66 -0.11 0.00 0.71 0.00 0.00 54.79 54.88 3fg0 n ASP 137 Cb 0.48 -4.74 -0.10 0.00 -0.02 0.00 0.00 41.12 36.73 3fg0 n ASP 137 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fg0 s THR 138 N -3.41 0.06 -0.08 -3.53 -4.23 -1.21 -1.03 115.64 102.22 3fg0 s THR 138 Ca 0.22 -0.53 0.04 0.00 -1.18 0.00 0.00 61.69 60.24 3fg0 s THR 138 Cb -0.10 -0.38 -0.02 0.00 1.34 0.00 0.00 72.50 73.34 3fg0 s THR 138 CO 0.76 -0.29 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.65 3fg0 s GLU 139 N -1.04 2.78 -0.11 3.99 2.12 -0.14 -4.81 118.70 121.49 3fg0 s GLU 139 Ca -0.11 -0.79 0.01 0.00 0.36 0.00 0.00 54.97 54.44 3fg0 s GLU 139 Cb -0.06 -2.35 0.02 0.00 0.26 0.00 0.00 34.13 32.00 3fg0 s GLU 139 CO 0.01 0.39 -0.13 0.45 -0.54 0.00 0.00 175.26 175.45 3fg0 s SER 140 N -0.16 2.27 0.04 -1.70 0.15 -1.26 -0.71 113.70 112.33 3fg0 s SER 140 Ca -0.02 -0.38 0.03 0.00 0.70 0.00 0.00 55.95 56.28 3fg0 s SER 140 Cb -0.14 -0.99 -0.02 0.00 -1.71 0.00 0.00 66.02 63.16 3fg0 s SER 140 CO 0.04 -0.02 -0.09 -1.59 1.20 0.00 0.00 173.24 172.78 3fg0 s LYS 141 N 1.14 0.58 -0.30 5.44 -2.85 -0.61 -0.85 119.74 122.30 3fg0 s LYS 141 Ca -0.04 -0.74 -0.04 0.00 -1.00 0.00 0.00 55.97 54.14 3fg0 s LYS 141 Cb -0.14 -0.40 0.03 0.00 -2.06 0.00 0.00 37.83 35.25 3fg0 s LYS 141 CO -0.03 0.08 0.04 0.42 0.10 0.00 0.00 175.35 175.96 3fg0 s ILE 142 N -1.25 3.45 -0.15 3.79 -1.09 0.20 -0.36 121.20 125.79 3fg0 s ILE 142 Ca -0.07 -1.03 -0.11 0.00 -2.23 0.00 0.00 60.65 57.21 3fg0 s ILE 142 Cb -0.09 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.88 3fg0 s ILE 142 CO 0.01 -0.00 0.19 -0.69 -1.23 0.00 0.00 174.94 173.22 3fg0 s VAL 143 N 1.38 5.38 -0.31 2.92 1.01 0.28 -0.59 120.40 130.48 3fg0 s VAL 143 Ca -0.01 0.33 -0.16 0.00 0.00 0.00 0.00 61.98 62.15 3fg0 s VAL 143 Cb -0.18 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3fg0 s VAL 143 CO 0.00 0.48 0.40 -0.54 0.00 0.00 0.00 175.10 175.45 3fg0 s LYS 144 N -0.08 3.77 0.26 2.72 -0.14 -0.73 -1.21 119.74 124.33 3fg0 s LYS 144 Ca 0.13 -0.16 0.08 0.00 -1.36 0.00 0.00 55.97 54.67 3fg0 s LYS 144 Cb -0.12 -3.74 -0.04 0.00 -1.68 0.00 0.00 37.83 32.25 3fg0 s LYS 144 CO 0.02 -0.45 0.10 -1.21 -0.76 0.00 0.00 175.35 173.05 3fg0 s GLU 145 N 2.13 2.58 0.54 1.68 2.02 -0.30 -4.85 118.70 122.50 3fg0 s GLU 145 Ca 0.15 -1.26 -0.22 0.00 0.02 0.00 0.00 54.97 53.66 3fg0 s GLU 145 Cb -0.16 -2.34 -0.05 0.00 0.10 0.00 0.00 34.13 31.67 3fg0 s GLU 145 CO 0.11 0.36 1.34 -0.35 0.02 0.00 0.00 175.26 176.75 3fg0 n PRO 146 N -1.04 1.69 0.15 0.39 -0.04 -1.26 -0.29 135.00 134.60 3fg0 n PRO 146 Ca -0.07 0.62 0.04 0.00 -0.04 0.00 0.00 63.50 64.06 3fg0 n PRO 146 Cb 0.59 -2.56 0.46 0.00 -0.04 0.00 0.00 33.50 31.95 3fg0 n PRO 146 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3fg0 h VAL 147 N 1.45 1.13 0.00 0.52 3.04 -1.03 -3.41 116.25 117.95 3fg0 h VAL 147 Ca -0.51 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.65 3fg0 h VAL 147 Cb 1.30 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.71 3fg0 h VAL 147 CO 0.57 0.17 0.00 0.61 -1.01 0.00 0.00 177.57 177.91 3fg0 n GLY 148 N -1.09 0.47 3.68 3.17 0.00 -1.26 -4.84 105.19 105.31 3fg0 n GLY 148 Ca -0.01 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 3fg0 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg0 s VAL 149 N 0.00 5.18 -0.02 1.61 1.01 -1.26 -2.33 120.40 124.59 3fg0 s VAL 149 Ca 0.00 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.84 3fg0 s VAL 149 Cb 0.00 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3fg0 s VAL 149 CO 0.00 0.25 -0.21 0.68 0.00 0.00 0.00 175.10 175.83 3fg0 s VAL 150 N 1.24 1.64 -0.03 2.92 -7.23 -0.30 -0.18 120.40 118.46 3fg0 s VAL 150 Ca 0.21 -0.88 0.02 0.00 -1.81 0.00 0.00 61.98 59.52 3fg0 s VAL 150 Cb -0.15 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 3fg0 s VAL 150 CO 0.09 0.47 -0.04 0.42 -0.31 0.00 0.00 175.10 175.72 3fg0 s THR 151 N -0.38 3.85 -0.05 5.32 -4.23 -0.40 -1.11 115.64 118.63 3fg0 s THR 151 Ca 0.05 -0.59 -0.00 0.00 -1.18 0.00 0.00 61.69 59.97 3fg0 s THR 151 Cb -0.09 -2.65 0.03 0.00 1.34 0.00 0.00 72.50 71.13 3fg0 s THR 151 CO 0.00 0.47 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.44 3fg0 s GLN 152 N -1.21 0.66 -0.09 3.99 -0.21 0.20 -0.81 119.66 122.19 3fg0 s GLN 152 Ca 0.16 0.01 0.02 0.00 0.02 0.00 0.00 55.36 55.57 3fg0 s GLN 152 Cb -0.11 -0.85 0.02 0.00 1.00 0.00 0.00 33.01 33.06 3fg0 s GLN 152 CO 0.06 -0.19 -0.13 0.42 -2.12 0.00 0.00 175.29 173.33 3fg0 s ILE 153 N 1.40 1.30 0.29 1.08 1.01 -0.21 -0.80 121.20 125.27 3fg0 s ILE 153 Ca -0.04 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.19 3fg0 s ILE 153 Cb -0.13 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.08 3fg0 s ILE 153 CO -0.03 0.40 -0.15 0.42 0.00 0.00 0.00 174.94 175.59 3fg0 s THR 154 N 1.00 2.23 0.44 2.92 -4.23 -1.04 -1.90 115.64 115.07 3fg0 s THR 154 Ca -0.07 -2.30 0.06 0.00 -1.18 0.00 0.00 61.69 58.20 3fg0 s THR 154 Cb -0.15 -2.38 0.06 0.00 1.34 0.00 0.00 72.50 71.38 3fg0 s THR 154 CO -0.01 -0.36 0.54 -0.81 -0.54 0.00 0.00 174.62 173.44 3fg0 n PRO 155 N -0.64 0.74 0.00 3.99 -0.04 -1.21 -2.42 135.00 135.42 3fg0 n PRO 155 Ca -0.05 -2.48 0.13 0.00 -0.04 0.00 0.00 63.50 61.06 3fg0 n PRO 155 Cb 0.61 -0.06 0.38 0.00 -0.04 0.00 0.00 33.50 34.39 3fg0 n PRO 155 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3fg0 n TRP 156 N -1.85 0.00 0.04 0.54 4.27 -1.26 -3.98 117.44 115.20 3fg0 n TRP 156 Ca 0.09 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.49 3fg0 n TRP 156 Cb 0.47 -0.22 -0.14 0.00 -1.36 0.00 0.00 31.31 30.05 3fg0 n TRP 156 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3fg0 h ASN 157 N 0.46 0.47 -2.11 -0.67 -1.07 -1.96 -3.40 115.58 107.30 3fg0 h ASN 157 Ca 0.00 -0.91 -0.58 0.00 0.07 0.00 0.00 56.30 54.88 3fg0 h ASN 157 Cb 0.48 -0.15 -0.40 0.00 -2.07 0.00 0.00 38.32 36.18 3fg0 h ASN 157 CO 0.00 1.51 -0.91 -1.22 0.07 0.00 0.00 177.43 176.87 3fg0 n TYR 158 N -4.01 1.08 0.11 4.14 4.01 -1.26 -5.00 117.16 116.22 3fg0 n TYR 158 Ca -0.18 -3.77 -0.13 0.00 -0.16 0.00 0.00 57.90 53.66 3fg0 n TYR 158 Cb 0.88 -0.40 -0.06 0.00 -0.31 0.00 0.00 39.34 39.45 3fg0 n TYR 158 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3fg0 h PRO 159 N 4.17 -0.34 -0.08 -0.72 0.11 -1.78 -0.89 132.00 132.46 3fg0 h PRO 159 Ca 0.13 0.02 -0.18 0.00 0.11 0.00 0.00 66.00 66.08 3fg0 h PRO 159 Cb 0.80 0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3fg0 h PRO 159 CO 0.59 -0.23 -0.72 1.25 -0.21 0.00 0.00 178.00 178.68 3fg0 h LEU 160 N -0.36 0.49 0.06 2.35 5.85 -1.91 -1.80 115.31 119.99 3fg0 h LEU 160 Ca 0.01 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3fg0 h LEU 160 Cb 0.36 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 3fg0 h LEU 160 CO -0.07 1.05 -0.04 0.25 -0.34 0.00 0.00 178.44 179.29 3fg0 h LEU 161 N 0.28 -0.11 -0.88 2.25 5.85 -1.87 -0.19 115.31 120.65 3fg0 h LEU 161 Ca -0.03 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 3fg0 h LEU 161 Cb 1.29 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 3fg0 h LEU 161 CO 0.12 -0.07 -0.07 1.56 -0.34 0.00 0.00 178.44 179.64 3fg0 h GLN 162 N -0.11 0.75 -0.69 1.25 1.08 -1.16 -2.19 115.11 114.04 3fg0 h GLN 162 Ca -0.00 -0.23 0.01 0.00 -1.45 0.00 0.00 58.65 56.98 3fg0 h GLN 162 Cb 0.09 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3fg0 h GLN 162 CO 0.00 0.81 0.45 0.00 -0.95 0.00 0.00 178.83 179.14 3fg0 h ALA 163 N 1.23 0.87 -0.53 3.87 0.00 -1.03 -2.66 119.26 121.02 3fg0 h ALA 163 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 163 Cb 0.53 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3fg0 h ALA 163 CO 0.03 0.28 0.22 0.66 0.00 0.00 0.00 179.25 180.44 3fg0 h SER 164 N 0.91 0.68 0.32 0.00 4.64 -0.42 0.21 113.55 119.89 3fg0 h SER 164 Ca 0.26 -0.08 -0.03 0.00 -0.47 0.00 0.00 61.79 61.46 3fg0 h SER 164 Cb -0.08 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 61.83 3fg0 h SER 164 CO -0.06 0.61 -0.16 -0.50 -0.87 0.00 0.00 176.83 175.84 3fg0 h TRP 165 N 0.75 0.00 0.01 4.77 4.06 -1.10 -1.97 115.95 122.47 3fg0 h TRP 165 Ca 0.18 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.73 3fg0 h TRP 165 Cb 0.13 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.23 3fg0 h TRP 165 CO 0.01 0.16 -2.24 1.63 -3.56 0.00 0.00 178.44 174.44 3fg0 n LYS 166 N -3.87 0.61 -0.18 0.49 5.02 -0.82 -4.47 118.16 114.94 3fg0 n LYS 166 Ca -0.02 0.31 -0.07 0.00 -2.02 0.00 0.00 58.31 56.51 3fg0 n LYS 166 Cb 0.26 -1.56 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3fg0 n LYS 166 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fg0 h ILE 167 N -0.75 1.15 0.26 -0.18 2.04 -0.62 -2.87 117.51 116.54 3fg0 h ILE 167 Ca -0.59 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 64.95 3fg0 h ILE 167 Cb 1.63 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 38.11 3fg0 h ILE 167 CO -0.29 0.15 -0.21 0.00 0.00 0.00 0.00 178.15 177.80 3fg0 h ALA 168 N 1.17 -0.46 -0.09 1.87 0.00 -1.57 -1.24 119.26 118.95 3fg0 h ALA 168 Ca 0.19 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 168 Cb -0.04 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fg0 h ALA 168 CO -0.04 -0.78 -0.42 -1.00 0.00 0.00 0.00 179.25 177.01 3fg0 h PRO 169 N -0.48 0.20 -0.09 0.00 0.13 -1.78 -1.38 132.00 128.59 3fg0 h PRO 169 Ca -0.01 -0.10 0.01 0.00 -0.87 0.00 0.00 66.00 65.03 3fg0 h PRO 169 Cb 0.43 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 3fg0 h PRO 169 CO -0.02 0.59 0.03 0.00 -0.23 0.00 0.00 178.00 178.38 3fg0 h ALA 170 N 1.40 0.10 -0.35 -0.56 0.00 -1.26 -1.49 119.26 117.10 3fg0 h ALA 170 Ca 0.01 0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3fg0 h ALA 170 Cb 0.82 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3fg0 h ALA 170 CO 0.06 -0.43 -0.25 -0.07 0.00 0.00 0.00 179.25 178.56 3fg0 h LEU 171 N 0.08 0.83 -1.14 0.00 3.38 -1.17 -1.22 115.31 116.08 3fg0 h LEU 171 Ca 0.04 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.66 3fg0 h LEU 171 Cb 0.01 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 40.47 3fg0 h LEU 171 CO -0.03 1.09 0.60 0.00 0.09 0.00 0.00 178.44 180.19 3fg0 h ALA 172 N 0.77 1.56 0.00 1.53 0.00 -1.09 -2.39 119.26 119.63 3fg0 h ALA 172 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 172 Cb 0.82 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.38 3fg0 h ALA 172 CO 0.07 0.26 -0.27 0.25 0.00 0.00 0.00 179.25 179.55 3fg0 n THR 173 N -4.53 0.06 -0.21 0.00 -2.24 -0.58 -4.74 114.28 102.05 3fg0 n THR 173 Ca 0.15 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.90 3fg0 n THR 173 Cb 0.27 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3fg0 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg0 n GLY 174 N 1.48 0.89 3.81 3.38 0.00 -0.90 -4.11 105.19 109.74 3fg0 n GLY 174 Ca 0.06 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3fg0 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s SER 176 N -3.84 5.96 0.10 0.00 0.01 -0.98 -4.65 113.70 110.29 3fg0 s SER 176 Ca 0.60 0.29 0.05 0.00 1.31 0.00 0.00 55.95 58.20 3fg0 s SER 176 Cb -0.14 -1.81 -0.03 0.00 0.21 0.00 0.00 66.02 64.24 3fg0 s SER 176 CO 0.55 0.33 -0.13 -1.48 0.41 0.00 0.00 173.24 172.92 3fg0 s LEU 177 N -1.39 2.35 -0.14 2.44 0.05 0.09 -1.14 118.68 120.94 3fg0 s LEU 177 Ca 0.19 -0.73 0.00 0.00 0.05 0.00 0.00 54.13 53.64 3fg0 s LEU 177 Cb -0.12 -0.47 0.03 0.00 -2.05 0.00 0.00 46.19 43.57 3fg0 s LEU 177 CO 0.10 -0.15 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.95 3fg0 s VAL 178 N -1.87 1.35 -0.09 1.48 1.01 -0.26 -1.53 120.40 120.48 3fg0 s VAL 178 Ca 0.04 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3fg0 s VAL 178 Cb -0.06 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 3fg0 s VAL 178 CO 0.02 0.36 -0.11 -0.32 0.00 0.00 0.00 175.10 175.06 3fg0 s MET 179 N 1.57 2.97 -0.19 2.72 0.00 0.09 -0.63 119.30 125.83 3fg0 s MET 179 Ca 0.04 -0.63 -0.02 0.00 0.00 0.00 0.00 55.69 55.08 3fg0 s MET 179 Cb -0.13 -2.57 0.05 0.00 0.00 0.00 0.00 34.83 32.18 3fg0 s MET 179 CO -0.09 0.47 0.00 0.21 0.00 0.00 0.00 175.02 175.61 3fg0 s LYS 180 N -0.30 0.94 0.85 4.11 2.20 0.02 -0.65 119.74 126.91 3fg0 s LYS 180 Ca 0.03 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 55.02 3fg0 s LYS 180 Cb -0.13 -2.08 0.11 0.00 -1.51 0.00 0.00 37.83 34.22 3fg0 s LYS 180 CO 0.03 -0.57 1.21 -1.25 -0.36 0.00 0.00 175.35 174.41 3fg0 s PRO 181 N 1.75 1.64 0.30 4.03 0.04 -1.26 -2.48 135.00 139.02 3fg0 s PRO 181 Ca -0.01 -0.01 -0.30 0.00 0.04 0.00 0.00 61.00 60.72 3fg0 s PRO 181 Cb -0.17 -1.92 -0.12 0.00 0.04 0.00 0.00 34.50 32.33 3fg0 s PRO 181 CO -0.07 -1.80 1.47 0.45 0.04 0.00 0.00 177.00 177.09 3fg0 n SER 182 N -3.43 3.33 0.30 6.66 2.88 -1.02 -4.63 113.62 117.71 3fg0 n SER 182 Ca 0.10 1.17 0.16 0.00 -1.33 0.00 0.00 58.87 58.97 3fg0 n SER 182 Cb 0.61 -1.53 0.95 0.00 -0.75 0.00 0.00 64.21 63.49 3fg0 n SER 182 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3fg0 h GLU 183 N 3.98 0.00 0.00 -1.46 9.09 -1.91 -1.96 114.58 122.32 3fg0 h GLU 183 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.94 3fg0 h GLU 183 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3fg0 h GLU 183 CO 0.73 0.01 -0.62 0.44 0.05 0.00 0.00 179.01 179.62 3fg0 n ILE 184 N -3.69 0.19 -3.22 -1.06 -5.35 -1.26 -4.54 119.36 100.43 3fg0 n ILE 184 Ca -0.03 -0.16 -0.24 0.00 -0.27 0.00 0.00 62.75 62.06 3fg0 n ILE 184 Cb 0.10 0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 37.99 3fg0 n ILE 184 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fg0 n THR 185 N -1.85 -0.04 1.14 7.28 -2.24 -0.74 -4.60 114.28 113.24 3fg0 n THR 185 Ca 0.04 -4.33 0.12 0.00 -2.27 0.00 0.00 64.05 57.61 3fg0 n THR 185 Cb 0.40 -1.71 0.20 0.00 -2.10 0.00 0.00 70.33 67.12 3fg0 n THR 185 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fg0 n PRO 186 N 1.10 1.25 0.30 -0.78 -0.04 -1.24 -4.55 135.00 131.05 3fg0 n PRO 186 Ca 0.23 -0.92 -0.17 0.00 -0.04 0.00 0.00 63.50 62.61 3fg0 n PRO 186 Cb 0.53 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 3fg0 n PRO 186 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3fg0 h LEU 187 N 2.24 -0.69 -1.46 1.53 3.38 -1.93 -0.52 115.31 117.86 3fg0 h LEU 187 Ca 0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3fg0 h LEU 187 Cb 0.67 0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3fg0 h LEU 187 CO 0.00 -0.47 -0.25 0.71 0.09 0.00 0.00 178.44 178.53 3fg0 h THR 188 N -0.76 0.83 -0.14 0.22 1.35 -1.87 -1.79 112.91 110.75 3fg0 h THR 188 Ca -0.07 -0.97 -0.22 0.00 -0.55 0.00 0.00 66.41 64.59 3fg0 h THR 188 Cb 0.60 1.59 0.01 0.00 -1.73 0.00 0.00 68.15 68.61 3fg0 h THR 188 CO 0.10 0.24 -0.79 0.74 -0.25 0.00 0.00 175.52 175.56 3fg0 h THR 189 N 0.00 1.29 -0.32 6.82 2.02 -1.73 -0.12 112.91 120.86 3fg0 h THR 189 Ca -0.00 -2.01 0.01 0.00 0.77 0.00 0.00 66.41 65.18 3fg0 h THR 189 Cb 0.57 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 68.97 3fg0 h THR 189 CO 0.03 0.63 0.19 0.40 0.37 0.00 0.00 175.52 177.14 3fg0 h ILE 190 N 0.51 1.03 -0.61 3.11 2.04 -0.89 -1.99 117.51 120.71 3fg0 h ILE 190 Ca -0.06 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.68 3fg0 h ILE 190 Cb 1.42 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 3fg0 h ILE 190 CO 0.16 0.07 0.40 -0.09 0.00 0.00 0.00 178.15 178.69 3fg0 h ARG 191 N 0.38 0.80 -0.11 2.37 9.65 -1.19 -1.78 114.38 124.50 3fg0 h ARG 191 Ca 0.13 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.88 3fg0 h ARG 191 Cb 0.01 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3fg0 h ARG 191 CO -0.06 0.53 -0.30 -0.24 2.80 0.00 0.00 179.97 182.70 3fg0 h VAL 192 N 0.82 1.26 -0.25 0.20 3.04 -0.78 -1.67 116.25 118.88 3fg0 h VAL 192 Ca 0.22 -1.22 -0.07 0.00 -1.01 0.00 0.00 66.70 64.62 3fg0 h VAL 192 Cb -0.09 1.51 -0.01 0.00 -2.01 0.00 0.00 31.29 30.69 3fg0 h VAL 192 CO -0.05 0.37 -0.14 -0.26 -1.01 0.00 0.00 177.57 176.48 3fg0 h PHE 193 N 0.19 0.45 -0.58 3.17 -1.00 -0.81 0.88 116.94 119.23 3fg0 h PHE 193 Ca 0.03 -0.07 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 3fg0 h PHE 193 Cb 0.63 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.05 3fg0 h PHE 193 CO 0.01 0.55 0.16 0.93 -1.61 0.00 0.00 178.31 178.35 3fg0 h GLU 194 N 0.39 0.92 -0.34 1.51 5.08 -0.49 -0.97 114.58 120.68 3fg0 h GLU 194 Ca 0.07 -0.21 -0.13 0.00 -1.00 0.00 0.00 59.36 58.09 3fg0 h GLU 194 Cb 0.48 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3fg0 h GLU 194 CO 0.03 0.84 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.49 3fg0 h LEU 195 N 0.83 0.75 -0.76 1.33 3.38 -0.68 -2.46 115.31 117.71 3fg0 h LEU 195 Ca 0.18 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.76 3fg0 h LEU 195 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3fg0 h LEU 195 CO -0.00 1.01 -0.01 0.24 0.09 0.00 0.00 178.44 179.77 3fg0 h MET 196 N 0.61 0.94 -0.97 1.13 2.86 -0.63 -2.13 114.93 116.75 3fg0 h MET 196 Ca 0.07 -0.28 0.01 0.00 -2.06 0.00 0.00 59.70 57.43 3fg0 h MET 196 Cb 0.83 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.35 3fg0 h MET 196 CO 0.07 0.93 0.63 1.49 1.06 0.00 0.00 176.91 181.10 3fg0 h GLU 197 N 0.86 1.29 -0.87 1.72 4.81 -0.99 -0.47 114.58 120.93 3fg0 h GLU 197 Ca 0.16 -0.09 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3fg0 h GLU 197 Cb 0.52 -0.29 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 3fg0 h GLU 197 CO 0.03 0.86 0.48 0.93 -0.73 0.00 0.00 179.01 180.58 3fg0 h GLU 198 N 1.32 1.21 -0.38 1.92 5.08 -0.98 -2.77 114.58 119.97 3fg0 h GLU 198 Ca 0.35 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3fg0 h GLU 198 Cb -0.13 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 28.86 3fg0 h GLU 198 CO -0.07 0.88 0.06 0.28 -1.00 0.00 0.00 179.01 179.15 3fg0 h VAL 199 N 1.21 1.24 -0.31 3.13 2.07 -0.76 -3.49 116.25 119.35 3fg0 h VAL 199 Ca 0.31 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.96 3fg0 h VAL 199 Cb 0.02 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3fg0 h VAL 199 CO -0.05 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.44 3fg0 n GLY 200 N -0.49 0.21 3.19 2.17 0.00 -0.24 -5.11 105.19 104.92 3fg0 n GLY 200 Ca -0.01 -0.99 -0.14 0.00 0.00 0.00 0.00 46.02 44.88 3fg0 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fg0 s PHE 201 N 0.00 1.09 0.51 1.61 0.08 -1.26 -5.05 117.98 114.96 3fg0 s PHE 201 Ca 0.00 -0.70 -0.23 0.00 0.12 0.00 0.00 56.93 56.12 3fg0 s PHE 201 Cb 0.00 -0.59 -0.06 0.00 -0.57 0.00 0.00 43.02 41.80 3fg0 s PHE 201 CO 0.00 0.00 1.37 -2.14 -0.10 0.00 0.00 175.22 174.35 3fg0 s PRO 202 N -3.09 3.35 -0.03 0.24 0.02 -1.26 -4.84 135.00 129.39 3fg0 s PRO 202 Ca 0.08 2.26 -0.35 0.00 0.02 0.00 0.00 61.00 63.02 3fg0 s PRO 202 Cb -0.01 -2.39 -0.13 0.00 0.02 0.00 0.00 34.50 31.99 3fg0 s PRO 202 CO -0.00 -1.03 1.76 1.17 -0.33 0.00 0.00 177.00 178.57 3fg0 n LYS 203 N -0.73 2.04 0.00 5.54 4.81 -1.26 -1.60 118.16 126.96 3fg0 n LYS 203 Ca 0.08 0.74 0.00 0.00 -0.87 0.00 0.00 58.31 58.27 3fg0 n LYS 203 Cb 0.44 -2.55 0.00 0.00 0.02 0.00 0.00 35.03 32.95 3fg0 n LYS 203 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3fg0 n GLY 204 N 4.03 1.19 0.28 3.14 0.00 -1.26 -4.62 105.19 107.95 3fg0 n GLY 204 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 3fg0 n GLY 204 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fg0 h THR 205 N 0.00 1.25 -4.01 2.61 2.02 -1.59 -3.27 112.91 109.91 3fg0 h THR 205 Ca 0.00 -1.08 -0.55 0.00 0.77 0.00 0.00 66.41 65.55 3fg0 h THR 205 Cb 0.00 0.97 -0.31 0.00 -1.74 0.00 0.00 68.15 67.07 3fg0 h THR 205 CO 0.00 0.37 -0.83 0.27 0.37 0.00 0.00 175.52 175.70 3fg0 s ILE 206 N -4.89 1.39 -0.02 3.11 -4.36 -1.26 -0.73 121.20 114.45 3fg0 s ILE 206 Ca -0.09 -0.71 -0.02 0.00 -0.26 0.00 0.00 60.65 59.57 3fg0 s ILE 206 Cb 0.14 -1.19 0.00 0.00 1.25 0.00 0.00 42.46 42.67 3fg0 s ILE 206 CO 0.81 0.40 0.05 0.20 0.24 0.00 0.00 174.94 176.65 3fg0 s ASN 207 N -0.08 -0.05 -0.22 4.36 0.01 -0.58 -4.48 114.94 113.90 3fg0 s ASN 207 Ca -0.01 0.10 0.02 0.00 -0.71 0.00 0.00 52.86 52.26 3fg0 s ASN 207 Cb -0.10 0.11 0.04 0.00 0.41 0.00 0.00 41.25 41.71 3fg0 s ASN 207 CO 0.01 -0.03 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.20 3fg0 s LEU 208 N -0.00 2.72 -0.13 0.60 2.96 0.12 -0.73 118.68 124.21 3fg0 s LEU 208 Ca -0.00 -0.97 -0.05 0.00 -0.22 0.00 0.00 54.13 52.89 3fg0 s LEU 208 Cb -0.01 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.13 3fg0 s LEU 208 CO 0.00 -0.08 0.04 -0.63 -1.32 0.00 0.00 176.35 174.35 3fg0 s ILE 209 N 1.21 4.60 -0.09 6.68 -1.09 0.18 -1.55 121.20 131.14 3fg0 s ILE 209 Ca -0.01 -0.12 0.02 0.00 -2.23 0.00 0.00 60.65 58.31 3fg0 s ILE 209 Cb -0.16 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.69 3fg0 s ILE 209 CO -0.09 0.54 -0.14 -0.76 -1.23 0.00 0.00 174.94 173.26 3fg0 s LEU 210 N -0.31 2.71 0.00 2.97 1.43 -1.26 -4.02 118.68 120.20 3fg0 s LEU 210 Ca 0.08 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3fg0 s LEU 210 Cb -0.12 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3fg0 s LEU 210 CO 0.02 0.26 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3fg0 n GLY 211 N 2.92 2.19 3.76 -3.19 0.00 -1.26 0.10 105.19 109.71 3fg0 n GLY 211 Ca -0.18 -1.43 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 3fg0 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 212 N -1.93 3.53 0.44 4.61 0.00 -1.26 -4.24 121.76 122.92 3fg0 s ALA 212 Ca 0.00 1.25 0.12 0.00 0.00 0.00 0.00 51.96 53.32 3fg0 s ALA 212 Cb 0.00 -3.49 0.99 0.00 0.00 0.00 0.00 23.12 20.61 3fg0 s ALA 212 CO 0.00 -0.64 2.04 0.78 0.00 0.00 0.00 175.76 177.94 3fg0 h GLY 213 N 4.07 0.23 2.00 0.00 0.00 -1.96 -0.46 103.07 106.95 3fg0 h GLY 213 Ca -0.48 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.75 3fg0 h GLY 213 CO 0.70 0.10 0.00 -1.14 0.00 0.00 0.00 176.54 176.20 3fg0 n SER 214 N -4.42 0.48 -0.11 0.19 3.41 -1.26 -0.48 113.62 111.42 3fg0 n SER 214 Ca -0.01 0.66 -0.24 0.00 -0.26 0.00 0.00 58.87 59.02 3fg0 n SER 214 Cb 0.15 -0.75 -0.08 0.00 -0.26 0.00 0.00 64.21 63.27 3fg0 n SER 214 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fg0 n GLU 215 N -2.08 0.48 0.00 4.33 4.07 -0.24 -4.79 120.64 122.42 3fg0 n GLU 215 Ca 0.01 0.21 0.06 0.00 -0.06 0.00 0.00 57.16 57.37 3fg0 n GLU 215 Cb 0.13 -1.31 -0.07 0.00 -0.06 0.00 0.00 31.44 30.14 3fg0 n GLU 215 CO 0.00 0.00 0.00 1.33 -0.06 0.00 0.00 177.13 178.40 3fg0 n VAL 216 N -3.97 0.00 -0.26 6.31 0.24 -0.87 -4.47 118.33 115.30 3fg0 n VAL 216 Ca -0.44 -0.22 -0.02 0.00 -2.04 0.00 0.00 64.34 61.61 3fg0 n VAL 216 Cb 0.82 1.01 0.09 0.00 -1.47 0.00 0.00 33.84 34.29 3fg0 n VAL 216 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3fg0 h GLY 217 N 2.86 1.08 1.79 7.63 0.00 -0.95 -2.21 103.07 113.27 3fg0 h GLY 217 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3fg0 h GLY 217 CO 0.00 0.27 -0.24 -0.55 0.00 0.00 0.00 176.54 176.02 3fg0 h ASP 218 N 0.88 0.25 -0.47 0.19 3.32 -1.83 -0.92 116.42 117.84 3fg0 h ASP 218 Ca 0.31 -0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.22 3fg0 h ASP 218 Cb 0.07 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3fg0 h ASP 218 CO -0.13 0.50 0.03 0.58 -1.72 0.00 0.00 179.24 178.50 3fg0 h VAL 219 N 0.23 1.26 -0.03 -1.35 2.07 -1.74 0.32 116.25 117.01 3fg0 h VAL 219 Ca 0.04 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.45 3fg0 h VAL 219 Cb 0.55 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3fg0 h VAL 219 CO 0.04 0.35 -0.48 0.24 0.02 0.00 0.00 177.57 177.74 3fg0 h MET 220 N 0.67 0.06 0.00 1.57 2.86 -0.80 -1.95 114.93 117.34 3fg0 h MET 220 Ca 0.14 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3fg0 h MET 220 Cb 0.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 3fg0 h MET 220 CO 0.02 0.53 -1.55 -1.13 1.06 0.00 0.00 176.91 175.84 3fg0 n SER 221 N -3.97 0.52 -0.40 1.22 3.41 -0.41 -4.54 113.62 109.45 3fg0 n SER 221 Ca -0.02 0.21 0.04 0.00 -0.26 0.00 0.00 58.87 58.85 3fg0 n SER 221 Cb 0.51 0.88 0.06 0.00 -0.26 0.00 0.00 64.21 65.40 3fg0 n SER 221 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg0 n GLY 222 N 1.32 0.28 3.76 5.00 0.00 0.10 -3.69 105.19 111.95 3fg0 n GLY 222 Ca -0.07 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3fg0 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fg0 s HIS 223 N -0.81 3.42 0.41 1.61 2.46 -0.74 -4.81 115.29 116.82 3fg0 s HIS 223 Ca 0.13 1.57 0.31 0.00 0.47 0.00 0.00 55.06 57.54 3fg0 s HIS 223 Cb 0.08 -3.41 1.60 0.00 -0.13 0.00 0.00 32.58 30.72 3fg0 s HIS 223 CO 0.12 -1.01 2.11 1.57 -2.47 0.00 0.00 174.74 175.05 3fg0 h LYS 224 N 4.00 0.00 -0.06 2.88 2.10 -1.95 -2.58 116.57 120.96 3fg0 h LYS 224 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3fg0 h LYS 224 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3fg0 h LYS 224 CO 0.68 0.08 0.00 0.39 -2.00 0.00 0.00 179.45 178.60 3fg0 n GLU 225 N -3.47 1.43 -3.28 0.07 -0.58 -1.26 -4.84 120.64 108.72 3fg0 n GLU 225 Ca -0.02 -0.64 -0.38 0.00 -0.42 0.00 0.00 57.16 55.70 3fg0 n GLU 225 Cb 0.22 -1.41 -0.06 0.00 -0.57 0.00 0.00 31.44 29.62 3fg0 n GLU 225 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg0 s VAL 226 N -1.93 4.98 -0.05 2.62 1.01 -0.97 -4.56 120.40 121.50 3fg0 s VAL 226 Ca 0.35 1.12 0.20 0.00 0.00 0.00 0.00 61.98 63.65 3fg0 s VAL 226 Cb 0.18 -3.87 -0.31 0.00 0.00 0.00 0.00 36.38 32.38 3fg0 s VAL 226 CO 0.29 0.43 0.40 0.47 0.00 0.00 0.00 175.10 176.69 3fg0 n ASP 227 N 2.76 0.36 -3.69 3.32 8.00 0.74 -4.89 116.55 123.14 3fg0 n ASP 227 Ca -0.08 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.31 3fg0 n ASP 227 Cb 0.51 1.82 -0.10 0.00 -0.02 0.00 0.00 41.12 43.33 3fg0 n ASP 227 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fg0 s LEU 228 N -4.52 -0.12 -0.18 0.64 2.96 -1.14 -2.92 118.68 113.40 3fg0 s LEU 228 Ca -0.08 0.99 -0.02 0.00 -0.22 0.00 0.00 54.13 54.80 3fg0 s LEU 228 Cb 0.12 1.56 -0.01 0.00 0.50 0.00 0.00 46.19 48.36 3fg0 s LEU 228 CO 0.84 -0.19 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.91 3fg0 s VAL 229 N 1.10 3.26 -0.17 1.68 1.01 -0.59 -1.28 120.40 125.41 3fg0 s VAL 229 Ca -0.07 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.36 3fg0 s VAL 229 Cb -0.06 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.89 3fg0 s VAL 229 CO -0.10 0.47 -0.18 -0.55 0.00 0.00 0.00 175.10 174.75 3fg0 s SER 230 N 0.95 3.35 -0.03 3.32 0.15 0.01 -1.49 113.70 119.97 3fg0 s SER 230 Ca -0.01 -0.58 0.02 0.00 0.70 0.00 0.00 55.95 56.08 3fg0 s SER 230 Cb -0.15 -1.52 0.01 0.00 -1.71 0.00 0.00 66.02 62.65 3fg0 s SER 230 CO -0.00 0.03 -0.09 0.12 1.20 0.00 0.00 173.24 174.50 3fg0 s PHE 231 N 1.15 0.93 -0.11 3.44 5.36 -0.08 -1.04 117.98 127.62 3fg0 s PHE 231 Ca 0.01 -0.24 0.02 0.00 -0.96 0.00 0.00 56.93 55.76 3fg0 s PHE 231 Cb -0.14 -0.68 0.01 0.00 -0.34 0.00 0.00 43.02 41.87 3fg0 s PHE 231 CO -0.08 -0.11 -0.17 0.99 -1.46 0.00 0.00 175.22 174.39 3fg0 s THR 232 N 0.27 1.64 -1.44 0.12 2.01 -0.80 -1.34 115.64 116.10 3fg0 s THR 232 Ca -0.04 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.23 3fg0 s THR 232 Cb -0.09 -1.47 0.00 0.00 0.01 0.00 0.00 72.50 70.94 3fg0 s THR 232 CO 0.01 0.47 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3fg0 n GLY 233 N 4.10 -0.72 3.97 4.40 0.00 -0.61 -3.34 105.19 112.98 3fg0 n GLY 233 Ca -0.19 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.25 3fg0 n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 234 N 0.00 1.76 0.30 -0.02 0.00 -1.26 -3.83 107.32 104.28 3fg0 s GLY 234 Ca 0.00 -1.30 0.11 0.00 0.00 0.00 0.00 44.72 43.53 3fg0 s GLY 234 CO 0.00 -1.06 1.68 0.16 0.00 0.00 0.00 173.10 173.88 3fg0 h ILE 235 N 0.24 1.39 -0.43 0.90 3.07 -1.93 -1.02 117.51 119.73 3fg0 h ILE 235 Ca -0.43 -1.85 -0.13 0.00 1.55 0.00 0.00 64.86 64.00 3fg0 h ILE 235 Cb 1.28 2.00 -0.01 0.00 -0.27 0.00 0.00 36.82 39.82 3fg0 h ILE 235 CO 0.53 0.53 -0.24 1.05 -1.05 0.00 0.00 178.15 178.97 3fg0 h GLU 236 N 0.01 0.92 -0.08 0.16 4.11 -1.96 -2.11 114.58 115.62 3fg0 h GLU 236 Ca -0.01 -0.42 -0.21 0.00 0.07 0.00 0.00 59.36 58.80 3fg0 h GLU 236 Cb 0.96 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.20 3fg0 h GLU 236 CO 0.07 1.07 -0.76 1.15 0.07 0.00 0.00 179.01 180.62 3fg0 h THR 237 N 0.75 1.32 -0.84 -1.06 2.02 -1.96 -2.93 112.91 110.22 3fg0 h THR 237 Ca 0.09 -2.02 0.07 0.00 0.77 0.00 0.00 66.41 65.32 3fg0 h THR 237 Cb 0.82 2.21 -0.06 0.00 -1.74 0.00 0.00 68.15 69.37 3fg0 h THR 237 CO 0.07 0.62 0.51 1.23 0.37 0.00 0.00 175.52 178.32 3fg0 h GLY 238 N 0.32 1.27 1.01 2.16 0.00 -1.15 0.15 103.07 106.82 3fg0 h GLY 238 Ca -0.07 -0.36 -0.09 0.00 0.00 0.00 0.00 47.33 46.80 3fg0 h GLY 238 CO 0.15 0.23 -0.09 0.50 0.00 0.00 0.00 176.54 177.33 3fg0 h LYS 239 N 0.91 0.84 -0.54 4.80 1.57 -1.38 -0.90 116.57 121.88 3fg0 h LYS 239 Ca 0.37 -0.32 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3fg0 h LYS 239 Cb 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3fg0 h LYS 239 CO -0.19 0.95 0.36 1.25 -0.57 0.00 0.00 179.45 181.25 3fg0 h HIS 240 N 0.67 0.68 -0.64 -1.35 2.76 -1.24 -1.02 115.15 115.01 3fg0 h HIS 240 Ca 0.11 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.28 3fg0 h HIS 240 Cb 0.63 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 3fg0 h HIS 240 CO 0.05 0.43 0.31 0.82 -1.30 0.00 0.00 177.93 178.24 3fg0 h ILE 241 N 0.73 1.22 -0.46 6.26 2.04 -0.70 -1.59 117.51 125.01 3fg0 h ILE 241 Ca 0.20 -0.62 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 3fg0 h ILE 241 Cb -0.08 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3fg0 h ILE 241 CO -0.04 0.25 -0.01 -0.03 0.00 0.00 0.00 178.15 178.32 3fg0 h MET 242 N 0.88 0.82 -0.84 2.37 4.05 -0.79 0.66 114.93 122.08 3fg0 h MET 242 Ca 0.22 -0.27 -0.00 0.00 -0.28 0.00 0.00 59.70 59.37 3fg0 h MET 242 Cb 0.12 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 3fg0 h MET 242 CO -0.03 0.88 0.52 0.87 0.23 0.00 0.00 176.91 179.38 3fg0 h LYS 243 N 0.66 1.14 -0.40 0.39 1.57 -1.01 -2.02 116.57 116.90 3fg0 h LYS 243 Ca 0.13 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 3fg0 h LYS 243 Cb 0.52 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 3fg0 h LYS 243 CO 0.03 0.79 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.76 3fg0 h ASN 244 N 1.16 0.71 0.08 0.86 2.35 -0.90 -3.04 115.58 116.81 3fg0 h ASN 244 Ca 0.30 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3fg0 h ASN 244 Cb -0.06 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.11 3fg0 h ASN 244 CO -0.06 0.86 -0.06 0.00 -1.65 0.00 0.00 177.43 176.52 3fg0 h ALA 245 N 0.87 1.78 -0.02 -0.83 0.00 -0.52 -1.70 119.26 118.83 3fg0 h ALA 245 Ca 0.11 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 245 Cb 0.51 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3fg0 h ALA 245 CO 0.02 0.08 0.02 0.00 0.00 0.00 0.00 179.25 179.38 3fg0 h ALA 246 N 1.94 1.72 -0.15 0.00 0.00 -1.25 -1.39 119.26 120.13 3fg0 h ALA 246 Ca -0.00 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 246 Cb 0.12 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fg0 h ALA 246 CO 0.01 -0.04 0.10 -0.91 0.00 0.00 0.00 179.25 178.42 3fg0 h ASN 247 N 0.00 0.08 -0.09 0.00 2.35 -1.43 -1.96 115.58 114.53 3fg0 h ASN 247 Ca 0.01 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 3fg0 h ASN 247 Cb 0.06 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.41 3fg0 h ASN 247 CO -0.00 0.05 0.00 0.59 -1.65 0.00 0.00 177.43 176.42 3fg0 n ASN 248 N -4.51 2.59 -3.80 5.81 4.13 -1.02 -4.98 115.26 113.49 3fg0 n ASN 248 Ca 0.00 -2.65 -0.26 0.00 1.68 0.00 0.00 54.58 53.35 3fg0 n ASN 248 Cb 0.17 -0.31 0.03 0.00 -1.54 0.00 0.00 39.78 38.13 3fg0 n ASN 248 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3fg0 n VAL 249 N -0.79 -3.16 -3.11 2.41 0.31 -0.74 -4.93 118.33 108.33 3fg0 n VAL 249 Ca 0.12 -0.21 -0.39 0.00 -0.01 0.00 0.00 64.34 63.84 3fg0 n VAL 249 Cb 0.55 -3.35 -0.05 0.00 -0.91 0.00 0.00 33.84 30.08 3fg0 n VAL 249 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3fg0 s THR 250 N -3.45 4.77 0.37 2.52 2.01 -0.55 -5.01 115.64 116.30 3fg0 s THR 250 Ca 0.38 1.43 -0.27 0.00 0.31 0.00 0.00 61.69 63.54 3fg0 s THR 250 Cb -0.19 -4.02 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 3fg0 s THR 250 CO 0.81 0.42 1.28 0.59 -0.69 0.00 0.00 174.62 177.04 3fg0 n ASN 251 N 2.54 2.69 -4.15 3.53 3.02 -1.15 -4.72 115.26 117.03 3fg0 n ASN 251 Ca -0.05 1.17 -0.23 0.00 -0.03 0.00 0.00 54.58 55.44 3fg0 n ASN 251 Cb 0.50 -1.49 -0.14 0.00 -0.61 0.00 0.00 39.78 38.04 3fg0 n ASN 251 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3fg0 s ILE 252 N -1.14 1.25 -0.14 2.41 -0.00 -1.26 -1.54 121.20 120.78 3fg0 s ILE 252 Ca 0.57 -0.83 -0.00 0.00 -0.00 0.00 0.00 60.65 60.39 3fg0 s ILE 252 Cb -0.54 -1.07 0.03 0.00 -0.00 0.00 0.00 42.46 40.87 3fg0 s ILE 252 CO 0.61 0.23 -0.08 0.00 -0.00 0.00 0.00 174.94 175.69 3fg0 s ALA 253 N -0.56 1.52 -0.00 2.27 0.00 -0.55 -4.75 121.76 119.68 3fg0 s ALA 253 Ca 0.05 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.32 3fg0 s ALA 253 Cb -0.07 -1.02 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 3fg0 s ALA 253 CO 0.00 -0.53 -0.16 -0.51 0.00 0.00 0.00 175.76 174.56 3fg0 s LEU 254 N 1.63 2.05 -0.12 0.00 1.43 0.18 -0.91 118.68 122.94 3fg0 s LEU 254 Ca 0.03 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 52.80 3fg0 s LEU 254 Cb -0.14 -0.82 0.04 0.00 0.03 0.00 0.00 46.19 45.30 3fg0 s LEU 254 CO -0.09 0.18 0.00 -0.70 0.23 0.00 0.00 176.35 175.98 3fg0 s GLU 255 N -0.49 0.74 -0.16 1.70 -6.30 -0.45 -1.36 118.70 112.38 3fg0 s GLU 255 Ca 0.06 -0.13 0.16 0.00 -2.50 0.00 0.00 54.97 52.56 3fg0 s GLU 255 Cb -0.06 -1.45 0.34 0.00 0.00 0.00 0.00 34.13 32.95 3fg0 s GLU 255 CO -0.00 -0.42 1.18 1.28 0.02 0.00 0.00 175.26 177.32 3fg0 n LEU 256 N 5.09 2.45 0.00 2.70 4.77 0.36 -1.58 117.00 130.78 3fg0 n LEU 256 Ca -0.08 -3.38 0.00 0.00 -0.03 0.00 0.00 56.01 52.51 3fg0 n LEU 256 Cb 0.49 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 3fg0 n LEU 256 CO 0.12 0.99 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 3fg0 n GLY 257 N -1.27 -1.79 3.91 -0.72 0.00 -1.25 -4.10 105.19 99.97 3fg0 n GLY 257 Ca 0.17 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3fg0 n GLY 257 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 258 N -0.39 -0.07 -0.63 -0.02 0.00 -1.22 -4.44 107.32 100.55 3fg0 s GLY 258 Ca 0.00 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.73 3fg0 s GLY 258 CO 0.00 3.76 0.44 1.25 0.00 0.00 0.00 173.10 178.55 3fg0 s LYS 259 N -2.15 2.09 -0.21 2.90 2.47 -1.26 -4.69 119.74 118.89 3fg0 s LYS 259 Ca 0.25 -3.01 -0.25 0.00 -1.56 0.00 0.00 55.97 51.40 3fg0 s LYS 259 Cb -0.01 -2.98 -0.01 0.00 -1.46 0.00 0.00 37.83 33.37 3fg0 s LYS 259 CO 0.01 -1.29 0.82 -0.80 0.16 0.00 0.00 175.35 174.25 3fg0 s ASN 260 N -1.03 6.87 0.37 1.43 0.01 -1.25 -4.88 114.94 116.47 3fg0 s ASN 260 Ca 0.26 1.08 -0.18 0.00 -0.71 0.00 0.00 52.86 53.31 3fg0 s ASN 260 Cb -0.05 -2.44 -0.10 0.00 0.41 0.00 0.00 41.25 39.08 3fg0 s ASN 260 CO -0.16 -0.46 0.83 -2.16 -1.51 0.00 0.00 177.10 173.65 3fg0 s PRO 261 N 2.51 4.10 -0.34 -0.60 0.04 -1.25 -2.87 135.00 136.59 3fg0 s PRO 261 Ca 0.36 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.28 3fg0 s PRO 261 Cb -0.16 -2.31 0.10 0.00 0.04 0.00 0.00 34.50 32.17 3fg0 s PRO 261 CO 0.09 0.06 0.10 1.21 0.04 0.00 0.00 177.00 178.50 3fg0 s ASN 262 N -2.27 4.27 -0.29 6.66 3.84 -0.19 -1.35 114.94 125.60 3fg0 s ASN 262 Ca 0.58 -1.94 -0.16 0.00 0.21 0.00 0.00 52.86 51.55 3fg0 s ASN 262 Cb -0.10 -1.17 -0.03 0.00 -0.55 0.00 0.00 41.25 39.41 3fg0 s ASN 262 CO 0.16 -0.39 0.40 -0.63 -2.79 0.00 0.00 177.10 173.86 3fg0 s ILE 263 N 1.21 5.14 -0.25 -5.21 1.01 -0.10 -1.05 121.20 121.94 3fg0 s ILE 263 Ca 0.11 0.46 0.01 0.00 0.00 0.00 0.00 60.65 61.22 3fg0 s ILE 263 Cb -0.19 -3.77 0.04 0.00 0.01 0.00 0.00 42.46 38.56 3fg0 s ILE 263 CO -0.16 0.05 -0.09 -0.63 0.00 0.00 0.00 174.94 174.10 3fg0 s ILE 264 N 2.13 2.49 0.51 2.92 1.01 0.10 -0.46 121.20 129.90 3fg0 s ILE 264 Ca 0.15 -1.32 -0.10 0.00 0.00 0.00 0.00 60.65 59.38 3fg0 s ILE 264 Cb -0.16 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.92 3fg0 s ILE 264 CO 0.11 0.11 0.89 -0.36 0.00 0.00 0.00 174.94 175.68 3fg0 s PHE 265 N 1.22 3.55 0.41 3.97 0.08 -0.67 -1.22 117.98 125.32 3fg0 s PHE 265 Ca -0.04 1.12 0.19 0.00 0.12 0.00 0.00 56.93 58.33 3fg0 s PHE 265 Cb -0.18 -2.54 1.12 0.00 -0.57 0.00 0.00 43.02 40.85 3fg0 s PHE 265 CO -0.05 -0.38 1.80 -0.44 -0.10 0.00 0.00 175.22 176.04 3fg0 h ASP 266 N 0.39 0.41 -0.46 1.36 3.32 -1.88 -1.02 116.42 118.54 3fg0 h ASP 266 Ca -0.46 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3fg0 h ASP 266 Cb 1.19 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 3fg0 h ASP 266 CO 0.62 0.11 0.00 -0.90 -1.72 0.00 0.00 179.24 177.35 3fg0 n ASP 267 N -4.57 3.93 -4.75 6.45 5.75 -1.26 -4.93 116.55 117.17 3fg0 n ASP 267 Ca 0.24 -2.45 -0.32 0.00 -0.01 0.00 0.00 54.79 52.25 3fg0 n ASP 267 Cb 0.85 -0.54 0.08 0.00 -1.03 0.00 0.00 41.12 40.48 3fg0 n ASP 267 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fg0 s ALA 268 N -1.94 2.23 -0.27 2.12 0.00 -0.39 -1.78 121.76 121.73 3fg0 s ALA 268 Ca 0.39 0.47 -0.29 0.00 0.00 0.00 0.00 51.96 52.53 3fg0 s ALA 268 Cb 0.26 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 3fg0 s ALA 268 CO 0.16 -1.71 1.74 0.34 0.00 0.00 0.00 175.76 176.29 3fg0 s ASP 269 N -2.88 6.10 0.06 0.00 -1.08 -1.26 -4.83 116.67 112.77 3fg0 s ASP 269 Ca 0.65 1.48 -0.25 0.00 -0.52 0.00 0.00 52.55 53.91 3fg0 s ASP 269 Cb -0.20 -2.53 -0.17 0.00 -1.46 0.00 0.00 42.92 38.56 3fg0 s ASP 269 CO 0.50 -1.51 1.60 0.15 0.52 0.00 0.00 175.17 176.43 3fg0 h PHE 270 N 11.98 -0.14 0.00 -5.34 3.57 -1.93 -0.27 116.94 124.82 3fg0 h PHE 270 Ca -0.34 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.11 3fg0 h PHE 270 Cb 1.17 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3fg0 h PHE 270 CO 0.94 0.01 -0.22 0.93 -2.23 0.00 0.00 178.31 177.74 3fg0 h GLU 271 N -0.26 0.00 -0.27 1.11 4.39 -1.99 -1.28 114.58 116.28 3fg0 h GLU 271 Ca -0.02 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.66 3fg0 h GLU 271 Cb 0.21 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 3fg0 h GLU 271 CO 0.02 0.22 0.08 1.25 -1.16 0.00 0.00 179.01 179.43 3fg0 h LEU 272 N 0.00 0.40 -0.94 1.33 5.85 -1.90 -0.29 115.31 119.76 3fg0 h LEU 272 Ca -0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3fg0 h LEU 272 Cb 0.84 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.73 3fg0 h LEU 272 CO 0.03 0.50 0.21 0.00 -0.34 0.00 0.00 178.44 178.84 3fg0 h ALA 273 N 0.91 1.15 -0.10 1.25 0.00 -0.62 0.23 119.26 122.08 3fg0 h ALA 273 Ca 0.09 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3fg0 h ALA 273 Cb 0.25 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3fg0 h ALA 273 CO -0.00 0.59 -0.02 0.28 0.00 0.00 0.00 179.25 180.10 3fg0 h VAL 274 N 0.95 1.29 -0.51 0.00 2.07 -1.14 -0.57 116.25 118.34 3fg0 h VAL 274 Ca 0.21 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.88 3fg0 h VAL 274 Cb 0.25 1.70 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3fg0 h VAL 274 CO -0.01 0.26 0.14 -0.78 0.02 0.00 0.00 177.57 177.20 3fg0 h ASP 275 N -0.12 0.08 1.91 0.57 3.58 -0.75 -2.05 116.42 119.63 3fg0 h ASP 275 Ca 0.03 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.55 3fg0 h ASP 275 Cb 0.42 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.56 3fg0 h ASP 275 CO 0.01 0.07 -0.03 1.56 -2.88 0.00 0.00 179.24 177.97 3fg0 h GLN 276 N 0.29 0.00 -0.22 0.28 1.08 -0.47 -2.06 115.11 114.00 3fg0 h GLN 276 Ca 0.25 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.26 3fg0 h GLN 276 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 3fg0 h GLN 276 CO -0.30 0.03 -0.63 0.00 -0.95 0.00 0.00 178.83 176.98 3fg0 h ALA 277 N 1.97 0.45 -0.20 3.87 0.00 -0.71 0.13 119.26 124.77 3fg0 h ALA 277 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3fg0 h ALA 277 Cb 0.99 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3fg0 h ALA 277 CO 0.00 0.69 0.07 -0.07 0.00 0.00 0.00 179.25 179.94 3fg0 h LEU 278 N 0.58 0.29 -0.27 0.00 3.38 -1.21 -1.16 115.31 116.92 3fg0 h LEU 278 Ca -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3fg0 h LEU 278 Cb 1.24 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 3fg0 h LEU 278 CO 0.13 0.40 0.18 0.78 0.09 0.00 0.00 178.44 180.02 3fg0 h ASN 279 N 0.16 0.30 -0.99 -0.43 2.35 -1.31 -0.13 115.58 115.54 3fg0 h ASN 279 Ca 0.07 -0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3fg0 h ASN 279 Cb 0.21 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.45 3fg0 h ASN 279 CO -0.00 0.22 0.65 1.23 -1.65 0.00 0.00 177.43 177.88 3fg0 h GLY 280 N 0.36 1.41 1.46 2.83 0.00 -0.68 -2.89 103.07 105.56 3fg0 h GLY 280 Ca 0.10 -0.51 -0.26 0.00 0.00 0.00 0.00 47.33 46.67 3fg0 h GLY 280 CO -0.03 0.48 -1.38 -1.33 0.00 0.00 0.00 176.54 174.29 3fg0 h GLY 281 N 1.31 0.01 0.00 4.60 0.00 -0.92 0.99 103.07 109.06 3fg0 h GLY 281 Ca 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3fg0 h GLY 281 CO -0.09 0.03 0.00 -1.72 0.00 0.00 0.00 176.54 174.76 3fg0 n TYR 282 N -3.21 0.00 -1.66 5.60 4.01 -0.09 -3.47 117.16 118.35 3fg0 n TYR 282 Ca -0.09 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.22 3fg0 n TYR 282 Cb 1.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.02 3fg0 n TYR 282 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3fg0 n PHE 283 N -0.60 1.91 -3.41 -0.72 3.72 -1.09 -1.01 117.46 116.26 3fg0 n PHE 283 Ca 0.00 0.61 -0.23 0.00 -0.05 0.00 0.00 57.45 57.77 3fg0 n PHE 283 Cb 0.01 -2.36 -0.01 0.00 -0.94 0.00 0.00 39.48 36.18 3fg0 n PHE 283 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3fg0 n HIS 284 N 0.33 -1.74 -2.69 1.38 -0.00 -1.26 -0.86 115.22 110.38 3fg0 n HIS 284 Ca 0.07 0.45 -0.18 0.00 0.46 0.00 0.00 57.72 58.51 3fg0 n HIS 284 Cb 0.34 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.51 3fg0 n HIS 284 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fg0 n ALA 285 N -3.49 -0.82 -0.99 1.57 0.00 -0.18 -1.45 120.51 115.16 3fg0 n ALA 285 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3fg0 n ALA 285 Cb 0.53 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.59 3fg0 n ALA 285 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg0 n GLY 286 N -1.07 0.75 2.30 0.00 0.00 -0.04 -0.55 105.19 106.58 3fg0 n GLY 286 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 3fg0 n GLY 286 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fg0 n GLN 287 N -2.33 2.76 -4.69 1.61 6.02 -0.52 -3.63 117.38 116.59 3fg0 n GLN 287 Ca 0.00 -2.04 -0.25 0.00 -0.01 0.00 0.00 57.00 54.70 3fg0 n GLN 287 Cb 0.01 -2.25 -0.16 0.00 1.02 0.00 0.00 30.24 28.86 3fg0 n GLN 287 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fg0 s VAL 288 N -0.46 1.24 0.35 5.09 1.01 -1.26 -4.83 120.40 121.53 3fg0 s VAL 288 Ca 0.62 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.11 3fg0 s VAL 288 Cb 0.31 -1.09 0.32 0.00 0.00 0.00 0.00 36.38 35.92 3fg0 s VAL 288 CO -0.11 0.37 1.84 0.00 0.00 0.00 0.00 175.10 177.20 3fg0 n SER 290 N -4.60 5.18 -4.64 0.00 3.41 -1.26 -3.42 113.62 108.29 3fg0 n SER 290 Ca 0.19 -2.63 -0.44 0.00 -0.26 0.00 0.00 58.87 55.73 3fg0 n SER 290 Cb 0.52 -0.63 -0.01 0.00 -0.26 0.00 0.00 64.21 63.83 3fg0 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg0 n ALA 291 N 0.96 0.51 -2.47 7.33 0.00 -0.08 -4.86 120.51 121.89 3fg0 n ALA 291 Ca 0.27 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.66 3fg0 n ALA 291 Cb 1.02 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3fg0 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fg0 n GLY 292 N 1.21 3.98 0.20 0.00 0.00 0.34 -3.97 105.19 106.95 3fg0 n GLY 292 Ca 0.08 -1.91 0.12 0.00 0.00 0.00 0.00 46.02 44.31 3fg0 n GLY 292 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fg0 h SER 293 N 6.46 0.00 -3.76 1.61 4.64 -1.79 -3.35 113.55 117.35 3fg0 h SER 293 Ca 0.40 -0.00 -0.70 0.00 -0.47 0.00 0.00 61.79 61.02 3fg0 h SER 293 Cb 0.74 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 62.49 3fg0 h SER 293 CO 1.52 0.00 -0.44 -0.60 -0.87 0.00 0.00 176.83 176.44 3fg0 s ARG 294 N -3.22 2.32 -0.11 4.77 3.52 -1.14 -0.54 118.95 124.56 3fg0 s ARG 294 Ca 0.06 -2.14 -0.22 0.00 -0.13 0.00 0.00 55.73 53.29 3fg0 s ARG 294 Cb 0.06 -3.70 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 3fg0 s ARG 294 CO 0.68 -1.13 0.67 0.42 -0.81 0.00 0.00 175.30 175.13 3fg0 s ILE 295 N 0.61 5.05 -0.25 4.11 1.01 0.01 -1.02 121.20 130.70 3fg0 s ILE 295 Ca 0.12 1.35 -0.01 0.00 0.00 0.00 0.00 60.65 62.12 3fg0 s ILE 295 Cb -0.22 -4.00 0.03 0.00 0.01 0.00 0.00 42.46 38.28 3fg0 s ILE 295 CO -0.04 0.22 -0.07 -0.76 0.00 0.00 0.00 174.94 174.29 3fg0 s LEU 296 N 1.09 3.24 -0.05 2.97 1.43 -0.22 -0.81 118.68 126.33 3fg0 s LEU 296 Ca 0.35 -1.00 0.06 0.00 -1.03 0.00 0.00 54.13 52.50 3fg0 s LEU 296 Cb -0.17 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 3fg0 s LEU 296 CO 0.15 -0.15 -0.23 0.54 0.23 0.00 0.00 176.35 176.89 3fg0 s VAL 297 N 1.27 1.92 0.48 -1.59 0.11 0.10 0.03 120.40 122.72 3fg0 s VAL 297 Ca -0.02 -1.00 -0.23 0.00 -2.93 0.00 0.00 61.98 57.81 3fg0 s VAL 297 Cb -0.17 -1.63 -0.07 0.00 -1.53 0.00 0.00 36.38 32.98 3fg0 s VAL 297 CO -0.05 0.54 1.22 -1.58 -3.33 0.00 0.00 175.10 171.89 3fg0 s GLN 298 N -0.14 3.63 0.49 1.54 0.74 -0.36 -1.88 119.66 123.68 3fg0 s GLN 298 Ca -0.03 1.90 0.19 0.00 0.05 0.00 0.00 55.36 57.47 3fg0 s GLN 298 Cb -0.13 -2.39 1.22 0.00 1.10 0.00 0.00 33.01 32.81 3fg0 s GLN 298 CO 0.03 -0.69 2.06 -2.95 -0.55 0.00 0.00 175.29 173.19 3fg0 h ASN 299 N 1.95 0.00 -0.71 6.67 -1.07 -1.12 -2.43 115.58 118.86 3fg0 h ASN 299 Ca -0.50 0.00 -0.06 0.00 0.07 0.00 0.00 56.30 55.81 3fg0 h ASN 299 Cb 1.26 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 37.48 3fg0 h ASN 299 CO 0.60 0.13 0.22 0.28 0.07 0.00 0.00 177.43 178.72 3fg0 h SER 300 N 0.00 1.05 -0.18 6.14 0.02 -1.91 -3.21 113.55 115.46 3fg0 h SER 300 Ca -0.00 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3fg0 h SER 300 Cb 0.25 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.51 3fg0 h SER 300 CO 0.02 0.97 0.00 2.30 -1.14 0.00 0.00 176.83 178.98 3fg0 n ILE 301 N -4.25 0.24 -0.13 3.27 -5.35 -1.07 -4.72 119.36 107.34 3fg0 n ILE 301 Ca 0.06 -0.62 -0.05 0.00 -0.27 0.00 0.00 62.75 61.87 3fg0 n ILE 301 Cb 0.23 1.22 0.04 0.00 -1.74 0.00 0.00 39.64 39.39 3fg0 n ILE 301 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3fg0 h LYS 302 N 4.18 0.27 -0.17 6.28 3.64 -1.44 0.21 116.57 129.53 3fg0 h LYS 302 Ca 0.00 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3fg0 h LYS 302 Cb 0.91 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3fg0 h LYS 302 CO 0.00 0.18 0.05 -0.44 -2.27 0.00 0.00 179.45 176.97 3fg0 h ASP 303 N 0.27 0.25 -0.47 4.20 3.32 -1.84 -0.39 116.42 121.76 3fg0 h ASP 303 Ca 0.20 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 57.05 3fg0 h ASP 303 Cb 0.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3fg0 h ASP 303 CO -0.23 0.39 0.31 0.50 -1.72 0.00 0.00 179.24 178.49 3fg0 h LYS 304 N 0.10 0.61 -0.22 3.56 3.64 -1.82 -1.70 116.57 120.74 3fg0 h LYS 304 Ca 0.06 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3fg0 h LYS 304 Cb 0.23 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 3fg0 h LYS 304 CO -0.00 0.40 0.12 0.35 -2.27 0.00 0.00 179.45 178.06 3fg0 h PHE 305 N 0.63 0.29 -0.46 1.91 3.57 -0.45 -1.17 116.94 121.26 3fg0 h PHE 305 Ca 0.17 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.68 3fg0 h PHE 305 Cb -0.06 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.56 3fg0 h PHE 305 CO -0.05 0.24 0.29 0.93 -2.23 0.00 0.00 178.31 177.50 3fg0 h GLU 306 N 0.25 0.58 -0.49 1.11 5.08 -0.89 0.25 114.58 120.48 3fg0 h GLU 306 Ca 0.08 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 3fg0 h GLU 306 Cb 0.04 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3fg0 h GLU 306 CO -0.01 0.38 -0.17 0.37 -1.00 0.00 0.00 179.01 178.58 3fg0 h GLN 307 N 0.60 0.95 -0.57 2.33 5.75 -1.23 -1.07 115.11 121.88 3fg0 h GLN 307 Ca 0.18 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.30 3fg0 h GLN 307 Cb -0.04 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.43 3fg0 h GLN 307 CO -0.06 1.04 0.33 0.00 -2.65 0.00 0.00 178.83 177.49 3fg0 h ALA 308 N 0.96 0.72 -0.23 3.38 0.00 -0.84 -1.48 119.26 121.78 3fg0 h ALA 308 Ca 0.12 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 308 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fg0 h ALA 308 CO 0.06 0.22 0.04 1.25 0.00 0.00 0.00 179.25 180.82 3fg0 h LEU 309 N 0.76 0.37 -0.49 0.00 5.85 -0.80 -2.40 115.31 118.60 3fg0 h LEU 309 Ca 0.20 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3fg0 h LEU 309 Cb 0.01 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 3fg0 h LEU 309 CO -0.04 0.53 0.31 0.40 -0.34 0.00 0.00 178.44 179.30 3fg0 h ILE 310 N 0.19 1.08 -0.20 4.05 2.04 -1.10 0.93 117.51 124.50 3fg0 h ILE 310 Ca 0.07 -0.21 -0.08 0.00 1.00 0.00 0.00 64.86 65.63 3fg0 h ILE 310 Cb 0.32 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3fg0 h ILE 310 CO 0.00 0.11 -0.25 -0.78 0.00 0.00 0.00 178.15 177.24 3fg0 h ASP 311 N 0.62 0.37 -0.34 1.72 -0.00 -1.19 -2.36 116.42 115.24 3fg0 h ASP 311 Ca 0.19 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.03 56.97 3fg0 h ASP 311 Cb -0.02 -0.10 -0.01 0.00 -0.00 0.00 0.00 39.33 39.21 3fg0 h ASP 311 CO -0.07 0.62 -0.33 0.03 -0.00 0.00 0.00 179.24 179.49 3fg0 h ARG 312 N 0.33 0.83 -0.76 0.28 2.47 -0.90 -3.04 114.38 113.59 3fg0 h ARG 312 Ca 0.05 -0.43 0.08 0.00 -1.26 0.00 0.00 59.98 58.42 3fg0 h ARG 312 Cb 0.62 0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.90 3fg0 h ARG 312 CO 0.04 1.07 0.50 0.28 0.56 0.00 0.00 179.97 182.42 3fg0 h VAL 313 N 0.62 1.00 0.00 2.04 2.07 -0.39 0.15 116.25 121.73 3fg0 h VAL 313 Ca 0.06 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3fg0 h VAL 313 Cb 0.91 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3fg0 h VAL 313 CO 0.08 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.92 3fg0 h LYS 314 N 0.76 0.00 -0.00 1.57 1.57 -1.32 -2.66 116.57 116.49 3fg0 h LYS 314 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 3fg0 h LYS 314 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3fg0 h LYS 314 CO -0.12 0.00 -0.83 1.63 -0.57 0.00 0.00 179.45 179.56 3fg0 n LYS 315 N -2.91 0.23 -1.70 3.15 5.02 0.50 -4.97 118.16 117.48 3fg0 n LYS 315 Ca -0.02 -0.19 -0.43 0.00 -2.02 0.00 0.00 58.31 55.65 3fg0 n LYS 315 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3fg0 n LYS 315 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3fg0 n ILE 316 N -1.22 0.04 -3.17 -0.18 5.41 -1.01 -4.93 119.36 114.31 3fg0 n ILE 316 Ca 0.05 -0.01 -0.43 0.00 1.00 0.00 0.00 62.75 63.37 3fg0 n ILE 316 Cb 0.35 -1.84 -0.07 0.00 -0.71 0.00 0.00 39.64 37.37 3fg0 n ILE 316 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3fg0 s LYS 317 N 1.02 3.30 0.17 0.38 1.02 -1.26 -5.00 119.74 119.38 3fg0 s LYS 317 Ca 0.76 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.22 3fg0 s LYS 317 Cb -0.56 -3.93 -0.07 0.00 -0.52 0.00 0.00 37.83 32.75 3fg0 s LYS 317 CO 0.35 -0.92 0.54 -0.51 -0.92 0.00 0.00 175.35 173.89 3fg0 s LEU 318 N 2.63 4.28 0.00 3.17 1.02 -1.26 -0.97 118.68 127.55 3fg0 s LEU 318 Ca 0.20 1.01 0.00 0.00 0.02 0.00 0.00 54.13 55.36 3fg0 s LEU 318 Cb -0.15 -3.39 0.00 0.00 0.02 0.00 0.00 46.19 42.67 3fg0 s LEU 318 CO 0.17 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.20 3fg0 n GLY 319 N 0.49 -0.83 3.71 -3.19 0.00 -0.97 -4.89 105.19 99.50 3fg0 n GLY 319 Ca -0.03 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 3fg0 n GLY 319 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg0 s ASN 320 N -4.00 6.77 0.62 1.61 3.84 -1.26 -4.36 114.94 118.16 3fg0 s ASN 320 Ca 0.00 2.33 0.35 0.00 0.21 0.00 0.00 52.86 55.74 3fg0 s ASN 320 Cb 0.00 -2.58 2.01 0.00 -0.55 0.00 0.00 41.25 40.13 3fg0 s ASN 320 CO 0.00 -0.72 2.27 1.23 -2.79 0.00 0.00 177.10 177.09 3fg0 h GLY 321 N 7.43 0.00 2.00 1.21 0.00 -1.81 -0.73 103.07 111.17 3fg0 h GLY 321 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 3fg0 h GLY 321 CO 0.89 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.12 3fg0 n PHE 322 N -3.56 0.95 -2.80 5.60 3.72 -1.26 -0.96 117.46 119.15 3fg0 n PHE 322 Ca -0.02 0.28 -0.42 0.00 -0.05 0.00 0.00 57.45 57.24 3fg0 n PHE 322 Cb 0.11 -0.96 -0.03 0.00 -0.94 0.00 0.00 39.48 37.66 3fg0 n PHE 322 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fg0 s ASP 323 N -4.56 7.14 0.53 4.37 -1.08 -0.28 -4.94 116.67 117.86 3fg0 s ASP 323 Ca 0.10 1.40 0.22 0.00 -0.52 0.00 0.00 52.55 53.75 3fg0 s ASP 323 Cb 0.12 -2.51 1.37 0.00 -1.46 0.00 0.00 42.92 40.44 3fg0 s ASP 323 CO 0.59 -0.36 2.07 0.00 0.52 0.00 0.00 175.17 177.99 3fg0 h ALA 324 N 7.08 2.23 0.00 3.66 0.00 -1.85 -1.89 119.26 128.49 3fg0 h ALA 324 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fg0 h ALA 324 Cb 1.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3fg0 h ALA 324 CO 0.82 -0.35 0.00 -0.44 0.00 0.00 0.00 179.25 179.28 3fg0 h ASP 325 N 0.00 0.00 -3.02 0.00 3.32 -1.92 -3.46 116.42 111.34 3fg0 h ASP 325 Ca 0.13 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.66 3fg0 h ASP 325 Cb 0.54 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.15 3fg0 h ASP 325 CO -0.00 0.00 0.85 -0.89 -1.72 0.00 0.00 179.24 177.48 3fg0 s THR 326 N -3.29 2.55 -0.15 0.35 2.01 -0.71 -4.87 115.64 111.53 3fg0 s THR 326 Ca 0.06 0.42 0.15 0.00 0.31 0.00 0.00 61.69 62.63 3fg0 s THR 326 Cb 0.08 -3.27 -0.21 0.00 0.01 0.00 0.00 72.50 69.11 3fg0 s THR 326 CO 0.60 0.05 0.08 -0.62 -0.69 0.00 0.00 174.62 174.04 3fg0 n GLU 327 N 3.34 1.26 -3.74 4.92 1.02 -0.14 -4.99 120.64 122.32 3fg0 n GLU 327 Ca 0.11 -0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.10 3fg0 n GLU 327 Cb 0.39 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.25 3fg0 n GLU 327 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3fg0 s MET 328 N -2.46 0.13 0.00 3.49 1.75 -0.76 -4.86 119.30 116.58 3fg0 s MET 328 Ca -0.08 0.43 0.00 0.00 -1.25 0.00 0.00 55.69 54.80 3fg0 s MET 328 Cb 0.05 -0.16 0.00 0.00 2.84 0.00 0.00 34.83 37.56 3fg0 s MET 328 CO 0.68 -0.17 0.00 0.41 -0.65 0.00 0.00 175.02 175.28 3fg0 n GLY 329 N 4.28 0.80 3.87 2.11 0.00 -1.26 -2.30 105.19 112.68 3fg0 n GLY 329 Ca -0.25 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.55 3fg0 n GLY 329 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fg0 s PRO 330 N -0.77 2.06 0.79 1.61 0.04 -1.26 -4.73 135.00 132.74 3fg0 s PRO 330 Ca 0.00 0.27 -0.10 0.00 0.04 0.00 0.00 61.00 61.21 3fg0 s PRO 330 Cb 0.00 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.69 3fg0 s PRO 330 CO 0.00 -1.56 1.14 0.14 0.04 0.00 0.00 177.00 176.75 3fg0 s VAL 331 N -3.44 2.10 0.14 -0.36 -7.23 0.06 -4.81 120.40 106.87 3fg0 s VAL 331 Ca 0.61 -0.12 0.02 0.00 -1.81 0.00 0.00 61.98 60.68 3fg0 s VAL 331 Cb -0.12 -2.98 -0.18 0.00 0.56 0.00 0.00 36.38 33.66 3fg0 s VAL 331 CO 0.51 0.00 1.32 -0.29 -0.31 0.00 0.00 175.10 176.33 3fg0 h ILE 332 N -0.96 1.53 -3.21 -0.62 6.09 -1.85 -3.43 117.51 115.06 3fg0 h ILE 332 Ca -0.45 -2.82 -0.01 0.00 -1.37 0.00 0.00 64.86 60.21 3fg0 h ILE 332 Cb 1.31 2.61 -0.10 0.00 0.47 0.00 0.00 36.82 41.11 3fg0 h ILE 332 CO 0.58 0.82 0.09 -0.94 -3.07 0.00 0.00 178.15 175.63 3fg0 s SER 333 N -6.93 -0.31 0.14 2.19 1.04 -1.26 -4.67 113.70 103.90 3fg0 s SER 333 Ca -0.02 -0.42 -0.18 0.00 0.48 0.00 0.00 55.95 55.80 3fg0 s SER 333 Cb 0.10 0.61 0.03 0.00 0.10 0.00 0.00 66.02 66.85 3fg0 s SER 333 CO 0.83 -1.09 1.72 0.74 0.98 0.00 0.00 173.24 176.43 3fg0 h THR 334 N 2.13 0.82 -0.53 2.02 2.02 -1.97 0.10 112.91 117.50 3fg0 h THR 334 Ca -0.28 -0.04 0.09 0.00 0.77 0.00 0.00 66.41 66.96 3fg0 h THR 334 Cb 1.27 0.69 -0.08 0.00 -1.74 0.00 0.00 68.15 68.30 3fg0 h THR 334 CO 0.35 0.02 0.09 -0.08 0.37 0.00 0.00 175.52 176.28 3fg0 h GLU 335 N 0.11 0.22 -0.34 6.66 4.81 -1.99 -0.41 114.58 123.65 3fg0 h GLU 335 Ca 0.14 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 3fg0 h GLU 335 Cb 0.17 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 3fg0 h GLU 335 CO -0.21 0.15 -0.35 1.25 -0.73 0.00 0.00 179.01 179.11 3fg0 h HIS 336 N 0.23 1.02 -0.84 0.92 2.76 -1.84 -1.84 115.15 115.55 3fg0 h HIS 336 Ca 0.27 -0.31 -0.02 0.00 -2.20 0.00 0.00 60.37 58.11 3fg0 h HIS 336 Cb 0.38 -0.21 -0.04 0.00 1.55 0.00 0.00 27.41 29.09 3fg0 h HIS 336 CO -0.24 1.11 0.44 -0.09 -1.30 0.00 0.00 177.93 177.84 3fg0 h ARG 337 N 0.64 1.19 -0.69 5.26 2.43 -0.78 -1.94 114.38 120.49 3fg0 h ARG 337 Ca 0.05 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.12 3fg0 h ARG 337 Cb 0.94 -0.23 -0.05 0.00 -0.42 0.00 0.00 29.97 30.21 3fg0 h ARG 337 CO 0.09 0.89 0.39 -0.91 -1.51 0.00 0.00 179.97 178.92 3fg0 h ASN 338 N 1.19 0.60 -0.55 -3.80 2.35 -0.90 -0.55 115.58 113.93 3fg0 h ASN 338 Ca 0.29 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3fg0 h ASN 338 Cb 0.07 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.32 3fg0 h ASN 338 CO -0.04 0.39 0.33 0.50 -1.65 0.00 0.00 177.43 176.96 3fg0 h LYS 339 N 0.73 0.74 -0.34 0.81 3.64 -0.72 -0.94 116.57 120.50 3fg0 h LYS 339 Ca 0.30 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3fg0 h LYS 339 Cb 0.16 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 3fg0 h LYS 339 CO -0.17 0.54 0.15 0.82 -2.27 0.00 0.00 179.45 178.52 3fg0 h ILE 340 N 0.74 1.17 -0.74 2.00 2.04 -0.91 -2.18 117.51 119.63 3fg0 h ILE 340 Ca 0.20 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.61 3fg0 h ILE 340 Cb -0.01 0.87 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3fg0 h ILE 340 CO -0.04 0.18 0.45 -0.33 0.00 0.00 0.00 178.15 178.41 3fg0 h GLU 341 N 0.41 0.82 -0.86 2.37 5.08 -0.92 -1.97 114.58 119.51 3fg0 h GLU 341 Ca 0.12 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3fg0 h GLU 341 Cb 0.14 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 3fg0 h GLU 341 CO -0.01 0.54 0.57 0.77 -1.00 0.00 0.00 179.01 179.88 3fg0 h SER 342 N 0.84 0.96 0.35 1.42 0.02 -0.77 -1.88 113.55 114.50 3fg0 h SER 342 Ca 0.31 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 3fg0 h SER 342 Cb 0.11 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3fg0 h SER 342 CO -0.15 0.69 -0.25 1.88 -1.14 0.00 0.00 176.83 177.85 3fg0 h TYR 343 N 1.13 0.00 -0.67 3.45 0.05 -0.75 -1.82 116.97 118.37 3fg0 h TYR 343 Ca 0.32 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.03 3fg0 h TYR 343 Cb -0.08 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.64 3fg0 h TYR 343 CO -0.00 0.25 0.11 0.52 -1.05 0.00 0.00 178.16 177.99 3fg0 h MET 344 N 0.00 1.11 -0.50 4.88 2.86 -0.96 0.02 114.93 122.33 3fg0 h MET 344 Ca -0.00 -0.29 -0.10 0.00 -2.06 0.00 0.00 59.70 57.25 3fg0 h MET 344 Cb 0.50 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 3fg0 h MET 344 CO 0.03 1.01 -0.08 -0.44 1.06 0.00 0.00 176.91 178.49 3fg0 h ASP 345 N 1.03 0.88 -0.08 1.22 3.32 -1.29 -1.65 116.42 119.86 3fg0 h ASP 345 Ca 0.20 -0.27 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3fg0 h ASP 345 Cb 0.44 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.75 3fg0 h ASP 345 CO 0.01 0.99 0.03 0.58 -1.72 0.00 0.00 179.24 179.14 3fg0 h VAL 346 N 0.81 1.13 -0.11 -1.35 2.07 -0.99 -0.49 116.25 117.32 3fg0 h VAL 346 Ca 0.14 -0.40 0.04 0.00 0.82 0.00 0.00 66.70 67.30 3fg0 h VAL 346 Cb 0.60 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.59 3fg0 h VAL 346 CO 0.04 0.12 -0.15 0.00 0.02 0.00 0.00 177.57 177.59 3fg0 h ALA 347 N 0.88 -0.09 -0.28 1.67 0.00 -0.91 -1.54 119.26 119.00 3fg0 h ALA 347 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 347 Cb 0.16 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3fg0 h ALA 347 CO -0.00 -0.61 0.17 0.87 0.00 0.00 0.00 179.25 179.68 3fg0 h LYS 348 N -0.20 0.38 0.00 0.00 1.57 -1.23 -1.73 116.57 115.37 3fg0 h LYS 348 Ca 0.09 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3fg0 h LYS 348 Cb 0.32 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 3fg0 h LYS 348 CO -0.23 0.30 -0.05 0.00 -0.57 0.00 0.00 179.45 178.90 3fg0 h ALA 349 N 1.06 1.74 -0.59 3.86 0.00 -0.76 -1.32 119.26 123.26 3fg0 h ALA 349 Ca 0.10 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fg0 h ALA 349 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fg0 h ALA 349 CO -0.02 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.45 3fg0 n GLU 350 N -4.23 2.36 -0.16 0.00 0.28 -0.61 -4.94 120.64 113.34 3fg0 n GLU 350 Ca -0.03 -2.12 0.00 0.00 -0.16 0.00 0.00 57.16 54.85 3fg0 n GLU 350 Cb 0.14 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.55 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fg0 n GLY 351 N 1.44 0.68 3.79 -1.84 0.00 -0.50 -5.06 105.19 103.71 3fg0 n GLY 351 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3fg0 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 352 N -2.23 2.28 -0.20 4.61 0.00 -0.68 -4.91 121.76 120.62 3fg0 s ALA 352 Ca 0.00 -0.02 -0.07 0.00 0.00 0.00 0.00 51.96 51.88 3fg0 s ALA 352 Cb 0.00 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.92 3fg0 s ALA 352 CO 0.00 -1.67 0.05 0.99 0.00 0.00 0.00 175.76 175.12 3fg0 s THR 353 N -3.05 4.44 -0.68 0.00 2.01 -0.26 -4.49 115.64 113.62 3fg0 s THR 353 Ca 0.60 -0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.20 3fg0 s THR 353 Cb -0.15 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.38 3fg0 s THR 353 CO 0.55 0.42 1.13 -0.63 -0.69 0.00 0.00 174.62 175.40 3fg0 s ILE 354 N 0.82 4.02 0.16 1.82 -1.09 -1.26 -0.78 121.20 124.90 3fg0 s ILE 354 Ca 0.03 0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.64 3fg0 s ILE 354 Cb -0.14 -4.78 -0.15 0.00 -1.58 0.00 0.00 42.46 35.81 3fg0 s ILE 354 CO 0.02 -1.60 1.38 0.00 -1.23 0.00 0.00 174.94 173.52 3fg0 h ALA 355 N 9.75 0.52 -1.96 9.38 0.00 -1.28 -3.47 119.26 132.20 3fg0 h ALA 355 Ca -0.28 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 53.88 3fg0 h ALA 355 Cb 1.06 -0.07 -0.20 0.00 0.00 0.00 0.00 17.79 18.59 3fg0 h ALA 355 CO 1.22 0.88 0.22 0.54 0.00 0.00 0.00 179.25 182.10 3fg0 s VAL 356 N -3.27 0.00 0.00 0.00 0.11 -1.18 -4.98 120.40 111.07 3fg0 s VAL 356 Ca -0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.01 3fg0 s VAL 356 Cb 0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 3fg0 s VAL 356 CO 0.83 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.21 3fg0 n GLY 357 N 1.02 0.85 1.80 6.54 0.00 -1.25 -2.16 105.19 111.99 3fg0 n GLY 357 Ca -0.18 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.02 3fg0 n GLY 357 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg0 n GLY 358 N 0.00 0.48 3.72 -0.02 0.00 -1.26 -4.98 105.19 103.13 3fg0 n GLY 358 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 3fg0 n GLY 358 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg0 s LYS 359 N -1.15 1.77 0.47 1.61 -2.85 -1.26 -4.97 119.74 113.35 3fg0 s LYS 359 Ca 0.00 -1.22 -0.21 0.00 -1.00 0.00 0.00 55.97 53.54 3fg0 s LYS 359 Cb 0.00 0.54 -0.09 0.00 -2.06 0.00 0.00 37.83 36.23 3fg0 s LYS 359 CO 0.00 -0.78 1.03 1.03 0.10 0.00 0.00 175.35 176.73 3fg0 s ARG 360 N -3.65 3.90 0.54 1.78 0.52 -1.26 -1.12 118.95 119.66 3fg0 s ARG 360 Ca 0.18 1.36 -0.16 0.00 -0.52 0.00 0.00 55.73 56.59 3fg0 s ARG 360 Cb -0.03 -2.18 -0.06 0.00 0.52 0.00 0.00 34.95 33.20 3fg0 s ARG 360 CO 0.10 -0.34 1.01 -1.25 0.02 0.00 0.00 175.30 174.83 3fg0 s PRO 361 N -3.10 3.74 -0.00 3.54 0.04 -1.26 -4.83 135.00 133.13 3fg0 s PRO 361 Ca 0.65 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 62.58 3fg0 s PRO 361 Cb -0.17 -2.10 -0.33 0.00 0.04 0.00 0.00 34.50 31.94 3fg0 s PRO 361 CO 0.20 -0.45 0.87 0.38 0.04 0.00 0.00 177.00 178.04 3fg0 h ASP 362 N 0.70 0.73 -1.06 6.66 2.03 -1.98 -3.45 116.42 120.06 3fg0 h ASP 362 Ca -0.47 -0.90 -0.70 0.00 -0.73 0.00 0.00 57.03 54.24 3fg0 h ASP 362 Cb 1.20 -0.24 0.09 0.00 -0.83 0.00 0.00 39.33 39.55 3fg0 h ASP 362 CO 0.60 1.73 -0.35 -1.14 -1.03 0.00 0.00 179.24 179.05 3fg0 n ARG 363 N -3.65 0.06 -0.24 4.15 0.63 -1.26 -4.68 116.66 111.66 3fg0 n ARG 363 Ca -0.20 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.75 3fg0 n ARG 363 Cb 1.09 -1.17 0.12 0.00 0.45 0.00 0.00 32.46 32.95 3fg0 n ARG 363 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3fg0 h ASP 364 N 1.58 0.49 0.43 6.15 3.32 -2.01 -0.95 116.42 125.44 3fg0 h ASP 364 Ca -0.34 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.75 3fg0 h ASP 364 Cb 1.43 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3fg0 h ASP 364 CO 0.59 0.30 0.00 -0.90 -1.72 0.00 0.00 179.24 177.51 3fg0 n ASP 365 N -4.84 0.00 -0.00 6.45 5.75 -1.26 -2.38 116.55 120.27 3fg0 n ASP 365 Ca 0.10 0.17 0.10 0.00 -0.01 0.00 0.00 54.79 55.14 3fg0 n ASP 365 Cb 0.23 -0.35 -0.13 0.00 -1.03 0.00 0.00 41.12 39.84 3fg0 n ASP 365 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fg0 n LEU 366 N -1.35 0.61 -0.31 -2.12 4.77 -0.38 -4.61 117.00 113.60 3fg0 n LEU 366 Ca 0.07 -0.32 0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3fg0 n LEU 366 Cb 0.17 0.00 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 3fg0 n LEU 366 CO 0.15 0.15 1.08 0.50 -1.33 0.00 0.00 177.39 177.94 3fg0 h LYS 367 N 0.00 0.47 0.00 3.23 3.64 -1.19 -1.60 116.57 121.12 3fg0 h LYS 367 Ca 0.00 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3fg0 h LYS 367 Cb 0.64 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.36 3fg0 h LYS 367 CO 0.00 0.31 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.02 3fg0 h ASP 368 N 0.48 0.00 -1.83 4.20 3.32 -1.82 -3.47 116.42 117.30 3fg0 h ASP 368 Ca 0.55 -0.00 -0.45 0.00 0.02 0.00 0.00 57.03 57.14 3fg0 h ASP 368 Cb 0.98 0.00 0.05 0.00 0.22 0.00 0.00 39.33 40.58 3fg0 h ASP 368 CO -0.48 0.00 -0.05 -0.83 -1.72 0.00 0.00 179.24 176.16 3fg0 s GLY 369 N -3.92 1.81 -0.89 2.75 0.00 -0.60 -4.01 107.32 102.45 3fg0 s GLY 369 Ca 0.08 -1.68 -0.05 0.00 0.00 0.00 0.00 44.72 43.08 3fg0 s GLY 369 CO 0.64 -1.30 2.57 1.04 0.00 0.00 0.00 173.10 176.05 3fg0 n LEU 370 N -2.36 7.27 -4.88 0.66 4.77 -0.53 -4.98 117.00 116.96 3fg0 n LEU 370 Ca 0.12 -4.49 -0.30 0.00 -0.03 0.00 0.00 56.01 51.30 3fg0 n LEU 370 Cb 0.60 -1.30 -0.03 0.00 -2.33 0.00 0.00 43.42 40.36 3fg0 n LEU 370 CO 0.42 1.90 0.42 -0.36 -1.33 0.00 0.00 177.39 178.44 3fg0 s PHE 371 N -1.47 3.47 -0.11 -1.77 0.40 -1.26 -0.76 117.98 116.47 3fg0 s PHE 371 Ca 0.56 1.01 -0.08 0.00 -0.60 0.00 0.00 56.93 57.83 3fg0 s PHE 371 Cb 0.28 -2.41 0.04 0.00 0.51 0.00 0.00 43.02 41.44 3fg0 s PHE 371 CO -0.16 -0.08 0.28 0.12 0.70 0.00 0.00 175.22 176.08 3fg0 s PHE 372 N -2.34 -0.35 0.31 0.36 5.36 -1.26 -4.45 117.98 115.60 3fg0 s PHE 372 Ca 0.51 0.83 -0.29 0.00 -0.96 0.00 0.00 56.93 57.01 3fg0 s PHE 372 Cb -0.10 0.10 -0.10 0.00 -0.34 0.00 0.00 43.02 42.57 3fg0 s PHE 372 CO 0.31 -0.21 1.33 -1.21 -1.46 0.00 0.00 175.22 173.98 3fg0 s GLU 373 N 0.79 4.34 0.34 10.12 2.02 -0.28 -4.89 118.70 131.14 3fg0 s GLU 373 Ca -0.05 2.22 -0.29 0.00 0.02 0.00 0.00 54.97 56.87 3fg0 s GLU 373 Cb -0.06 -3.08 -0.11 0.00 0.10 0.00 0.00 34.13 30.97 3fg0 s GLU 373 CO -0.05 -0.23 1.54 -1.25 0.02 0.00 0.00 175.26 175.29 3fg0 s PRO 374 N -1.47 4.10 -0.00 0.39 0.04 -1.26 -4.17 135.00 132.64 3fg0 s PRO 374 Ca 0.51 2.60 0.04 0.00 0.04 0.00 0.00 61.00 64.19 3fg0 s PRO 374 Cb -0.40 -2.98 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 3fg0 s PRO 374 CO 0.51 -0.59 -0.13 0.99 0.04 0.00 0.00 177.00 177.81 3fg0 s THR 375 N -0.66 1.01 -0.10 1.26 2.01 -0.02 -3.88 115.64 115.27 3fg0 s THR 375 Ca 0.57 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.98 3fg0 s THR 375 Cb -0.47 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.18 3fg0 s THR 375 CO 0.57 0.23 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.87 3fg0 s VAL 376 N -0.40 1.65 -0.16 3.82 1.01 -0.92 -1.74 120.40 123.66 3fg0 s VAL 376 Ca 0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3fg0 s VAL 376 Cb -0.05 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 3fg0 s VAL 376 CO -0.00 0.47 -0.08 -0.63 0.00 0.00 0.00 175.10 174.86 3fg0 s ILE 377 N 0.74 3.45 0.48 2.22 1.01 -0.19 -0.70 121.20 128.20 3fg0 s ILE 377 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3fg0 s ILE 377 Cb -0.16 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.79 3fg0 s ILE 377 CO 0.02 0.49 0.04 0.42 0.00 0.00 0.00 174.94 175.91 3fg0 s THR 378 N 0.57 1.02 -1.34 2.92 -4.23 0.04 -1.85 115.64 112.77 3fg0 s THR 378 Ca -0.05 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.42 3fg0 s THR 378 Cb -0.15 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3fg0 s THR 378 CO 0.03 0.00 0.88 0.59 -0.54 0.00 0.00 174.62 175.58 3fg0 n ASN 379 N -1.27 -2.80 -4.54 3.99 3.02 -1.26 -1.10 115.26 111.30 3fg0 n ASN 379 Ca -0.15 -0.74 -0.27 0.00 -0.03 0.00 0.00 54.58 53.39 3fg0 n ASN 379 Cb 0.66 -4.35 -0.10 0.00 -0.61 0.00 0.00 39.78 35.39 3fg0 n ASN 379 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg0 s ASP 381 N -3.66 0.07 0.60 0.00 1.47 -1.26 -4.81 116.67 109.08 3fg0 s ASP 381 Ca 0.28 -1.20 0.39 0.00 1.18 0.00 0.00 52.55 53.21 3fg0 s ASP 381 Cb 0.07 0.47 1.94 0.00 -0.34 0.00 0.00 42.92 45.07 3fg0 s ASP 381 CO 0.14 -0.98 2.18 0.00 0.68 0.00 0.00 175.17 177.19 3fg0 h THR 382 N 2.45 0.00 0.00 2.11 1.03 -1.98 -1.68 112.91 114.84 3fg0 h THR 382 Ca -0.32 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 65.88 3fg0 h THR 382 Cb 1.25 1.18 0.00 0.00 -1.07 0.00 0.00 68.15 69.51 3fg0 h THR 382 CO 0.45 0.00 0.00 0.77 -0.01 0.00 0.00 175.52 176.73 3fg0 h SER 383 N 0.00 0.00 -3.86 0.00 4.64 -1.97 -3.42 113.55 108.93 3fg0 h SER 383 Ca 0.00 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.85 3fg0 h SER 383 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 3fg0 h SER 383 CO 0.00 0.00 0.32 -0.04 -0.87 0.00 0.00 176.83 176.24 3fg0 s MET 384 N -3.60 4.51 0.29 4.77 -1.94 -0.63 -4.97 119.30 117.73 3fg0 s MET 384 Ca 0.02 1.25 -0.03 0.00 -1.71 0.00 0.00 55.69 55.22 3fg0 s MET 384 Cb 0.09 -2.75 0.42 0.00 2.01 0.00 0.00 34.83 34.60 3fg0 s MET 384 CO 0.53 0.26 1.96 0.00 -0.01 0.00 0.00 175.02 177.76 3fg0 h ARG 385 N 3.08 1.12 0.00 2.03 3.08 -1.89 -1.50 114.38 120.30 3fg0 h ARG 385 Ca -0.47 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.50 3fg0 h ARG 385 Cb 1.19 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.98 3fg0 h ARG 385 CO 0.65 0.74 -0.07 0.97 -1.07 0.00 0.00 179.97 181.19 3fg0 h ILE 386 N 1.16 0.60 0.13 2.04 6.09 -1.92 0.02 117.51 125.62 3fg0 h ILE 386 Ca 0.32 -0.28 -0.32 0.00 -1.37 0.00 0.00 64.86 63.21 3fg0 h ILE 386 Cb -0.12 1.18 -0.01 0.00 0.47 0.00 0.00 36.82 38.34 3fg0 h ILE 386 CO -0.07 0.06 -1.67 0.58 -3.07 0.00 0.00 178.15 173.98 3fg0 h VAL 387 N 0.00 0.86 0.00 2.19 2.07 -1.62 -3.39 116.25 116.37 3fg0 h VAL 387 Ca -0.00 -2.39 -0.18 0.00 0.82 0.00 0.00 66.70 64.95 3fg0 h VAL 387 Cb 0.17 2.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3fg0 h VAL 387 CO 0.01 0.77 -0.85 1.56 0.02 0.00 0.00 177.57 179.08 3fg0 h GLN 388 N -0.15 0.00 -5.93 1.57 1.08 -1.00 -3.47 115.11 107.22 3fg0 h GLN 388 Ca -0.36 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.20 3fg0 h GLN 388 Cb 1.89 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 29.25 3fg0 h GLN 388 CO 0.07 0.85 -0.53 -1.21 -0.95 0.00 0.00 178.83 177.06 3fg0 s GLU 389 N -3.04 3.25 -0.41 1.46 2.02 -0.03 -4.76 118.70 117.19 3fg0 s GLU 389 Ca 0.00 -0.44 -0.29 0.00 0.02 0.00 0.00 54.97 54.27 3fg0 s GLU 389 Cb 0.11 -2.96 0.01 0.00 0.10 0.00 0.00 34.13 31.39 3fg0 s GLU 389 CO 0.80 0.64 1.28 -2.00 0.02 0.00 0.00 175.26 176.00 3fg0 s GLU 390 N -2.01 3.72 -0.01 1.61 2.12 -1.26 -4.88 118.70 117.99 3fg0 s GLU 390 Ca 0.27 0.89 -0.10 0.00 0.36 0.00 0.00 54.97 56.39 3fg0 s GLU 390 Cb -0.12 -3.94 -0.31 0.00 0.26 0.00 0.00 34.13 30.01 3fg0 s GLU 390 CO 0.19 -1.38 0.81 0.28 -0.54 0.00 0.00 175.26 174.62 3fg0 h VAL 391 N 6.25 1.10 -4.96 3.70 2.07 -1.91 -3.49 116.25 119.00 3fg0 h VAL 391 Ca -0.25 -2.66 -0.32 0.00 0.82 0.00 0.00 66.70 64.29 3fg0 h VAL 391 Cb 1.09 2.83 0.12 0.00 -1.52 0.00 0.00 31.29 33.80 3fg0 h VAL 391 CO 1.09 0.84 -0.56 0.33 0.02 0.00 0.00 177.57 179.29 3fg0 n PHE 392 N -3.58 -2.35 -4.15 1.57 7.35 -1.26 -4.78 117.46 110.27 3fg0 n PHE 392 Ca -0.20 0.83 -0.13 0.00 -0.76 0.00 0.00 57.45 57.19 3fg0 n PHE 392 Cb 1.07 -4.31 -0.05 0.00 0.35 0.00 0.00 39.48 36.54 3fg0 n PHE 392 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3fg0 n GLY 393 N -1.72 3.12 2.75 7.13 0.00 -1.24 -4.13 105.19 111.10 3fg0 n GLY 393 Ca 0.00 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.83 3fg0 n GLY 393 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fg0 n PRO 394 N -0.43 3.01 -3.78 1.61 -0.04 0.29 -4.10 135.00 131.56 3fg0 n PRO 394 Ca 0.05 -2.77 -0.14 0.00 -0.04 0.00 0.00 63.50 60.59 3fg0 n PRO 394 Cb 0.41 -3.21 -0.15 0.00 -0.04 0.00 0.00 33.50 30.51 3fg0 n PRO 394 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3fg0 s VAL 395 N 2.63 -0.04 0.14 0.52 1.01 -1.26 -0.84 120.40 122.57 3fg0 s VAL 395 Ca 0.46 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.66 3fg0 s VAL 395 Cb 0.13 -0.14 -0.04 0.00 0.00 0.00 0.00 36.38 36.33 3fg0 s VAL 395 CO -0.07 0.06 -0.16 0.68 0.00 0.00 0.00 175.10 175.61 3fg0 s VAL 396 N 0.83 1.59 0.16 2.92 -7.23 -0.71 -4.67 120.40 113.28 3fg0 s VAL 396 Ca -0.07 -1.83 0.09 0.00 -1.81 0.00 0.00 61.98 58.36 3fg0 s VAL 396 Cb -0.09 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 3fg0 s VAL 396 CO -0.03 -0.37 -0.13 0.42 -0.31 0.00 0.00 175.10 174.68 3fg0 s THR 397 N -2.11 3.04 -0.12 5.32 -4.23 0.30 -1.02 115.64 116.82 3fg0 s THR 397 Ca 0.13 -1.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.01 3fg0 s THR 397 Cb -0.05 -2.47 0.02 0.00 1.34 0.00 0.00 72.50 71.33 3fg0 s THR 397 CO 0.05 -0.05 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.26 3fg0 s VAL 398 N -1.55 1.40 0.12 2.29 1.01 -0.77 -0.81 120.40 122.08 3fg0 s VAL 398 Ca 0.23 -0.55 0.10 0.00 0.00 0.00 0.00 61.98 61.76 3fg0 s VAL 398 Cb -0.09 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 3fg0 s VAL 398 CO 0.13 0.43 -0.25 -1.61 0.00 0.00 0.00 175.10 173.80 3fg0 s GLU 399 N 1.28 1.33 0.30 2.72 2.02 0.01 -4.32 118.70 122.04 3fg0 s GLU 399 Ca -0.01 -1.31 0.07 0.00 0.02 0.00 0.00 54.97 53.74 3fg0 s GLU 399 Cb -0.14 -1.76 -0.02 0.00 0.10 0.00 0.00 34.13 32.31 3fg0 s GLU 399 CO -0.06 0.41 0.34 0.20 0.02 0.00 0.00 175.26 176.18 3fg0 s GLY 400 N -2.04 1.51 0.13 -1.39 0.00 -1.26 -0.72 107.32 103.56 3fg0 s GLY 400 Ca 0.12 -1.45 -0.12 0.00 0.00 0.00 0.00 44.72 43.27 3fg0 s GLY 400 CO 0.06 -1.41 0.33 -0.11 0.00 0.00 0.00 173.10 171.96 3fg0 s PHE 401 N -2.15 0.05 -0.16 1.90 -0.12 -0.79 -4.84 117.98 111.87 3fg0 s PHE 401 Ca 0.39 -0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 56.72 3fg0 s PHE 401 Cb -0.08 0.11 -0.07 0.00 -0.63 0.00 0.00 43.02 42.35 3fg0 s PHE 401 CO 0.28 -0.68 -0.29 0.39 -0.05 0.00 0.00 175.22 174.87 3fg0 n GLU 402 N -0.19 0.45 -3.73 1.99 4.71 -1.26 -0.52 120.64 122.09 3fg0 n GLU 402 Ca -0.13 0.18 -0.24 0.00 -0.01 0.00 0.00 57.16 56.97 3fg0 n GLU 402 Cb 0.63 -1.27 -0.02 0.00 -1.01 0.00 0.00 31.44 29.77 3fg0 n GLU 402 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3fg0 s THR 403 N -2.62 5.21 0.32 2.62 -4.23 -1.26 -4.80 115.64 110.87 3fg0 s THR 403 Ca -0.26 -0.67 0.05 0.00 -1.18 0.00 0.00 61.69 59.63 3fg0 s THR 403 Cb 0.06 -3.82 0.10 0.00 1.34 0.00 0.00 72.50 70.18 3fg0 s THR 403 CO 0.37 -0.34 1.79 1.05 -0.54 0.00 0.00 174.62 176.94 3fg0 h GLU 404 N 1.31 0.37 -0.73 3.99 4.11 -2.00 -2.11 114.58 119.53 3fg0 h GLU 404 Ca -0.50 -0.12 -0.00 0.00 0.07 0.00 0.00 59.36 58.81 3fg0 h GLU 404 Cb 1.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.40 3fg0 h GLU 404 CO 0.63 0.57 0.45 1.96 0.07 0.00 0.00 179.01 182.70 3fg0 h GLN 405 N 0.34 0.98 -0.34 1.06 7.50 -2.00 -1.50 115.11 121.15 3fg0 h GLN 405 Ca 0.06 -0.08 -0.15 0.00 0.50 0.00 0.00 58.65 58.97 3fg0 h GLN 405 Cb 0.57 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.88 3fg0 h GLN 405 CO 0.04 0.68 -0.40 1.49 -1.50 0.00 0.00 178.83 179.14 3fg0 h GLU 406 N 1.00 0.84 -0.81 1.46 4.81 -1.80 -1.93 114.58 118.15 3fg0 h GLU 406 Ca 0.26 -0.44 0.02 0.00 -0.13 0.00 0.00 59.36 59.07 3fg0 h GLU 406 Cb -0.06 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.29 3fg0 h GLU 406 CO -0.05 1.08 0.53 0.00 -0.73 0.00 0.00 179.01 179.84 3fg0 h ALA 407 N 0.86 1.04 -0.15 2.92 0.00 -0.82 -0.14 119.26 122.97 3fg0 h ALA 407 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 407 Cb 0.97 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3fg0 h ALA 407 CO 0.09 0.39 0.04 0.82 0.00 0.00 0.00 179.25 180.59 3fg0 h ILE 408 N 1.06 1.20 -0.46 0.00 2.04 -1.19 -0.87 117.51 119.28 3fg0 h ILE 408 Ca 0.31 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.55 3fg0 h ILE 408 Cb -0.07 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3fg0 h ILE 408 CO -0.09 0.19 0.29 -0.61 0.00 0.00 0.00 178.15 177.93 3fg0 h GLN 409 N 0.05 0.61 -0.41 2.37 4.15 -1.07 -1.05 115.11 119.76 3fg0 h GLN 409 Ca 0.05 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 3fg0 h GLN 409 Cb 0.25 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3fg0 h GLN 409 CO 0.00 0.43 -0.12 -0.07 -1.93 0.00 0.00 178.83 177.14 3fg0 h LEU 410 N 0.61 0.82 -1.20 -2.39 3.38 -0.98 -2.23 115.31 113.31 3fg0 h LEU 410 Ca 0.16 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3fg0 h LEU 410 Cb -0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 3fg0 h LEU 410 CO -0.03 1.00 0.19 0.00 0.09 0.00 0.00 178.44 179.69 3fg0 h ALA 411 N 0.84 1.37 -0.00 1.53 0.00 -0.88 -2.21 119.26 119.90 3fg0 h ALA 411 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 411 Cb 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fg0 h ALA 411 CO 0.04 0.47 -0.14 0.09 0.00 0.00 0.00 179.25 179.72 3fg0 n ASN 412 N -4.33 0.23 -3.78 0.00 5.03 -0.42 -4.50 115.26 107.48 3fg0 n ASN 412 Ca 0.04 -0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.07 3fg0 n ASN 412 Cb 0.17 -0.20 0.00 0.00 -1.02 0.00 0.00 39.78 38.73 3fg0 n ASN 412 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 3fg0 n ASP 413 N -1.34 4.83 -3.79 6.41 2.03 -0.83 -4.84 116.55 119.01 3fg0 n ASP 413 Ca 0.09 -3.00 -0.08 0.00 0.52 0.00 0.00 54.79 52.32 3fg0 n ASP 413 Cb 0.31 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.14 3fg0 n ASP 413 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3fg0 s SER 414 N 1.75 -0.29 0.00 1.67 1.04 -1.26 -4.95 113.70 111.66 3fg0 s SER 414 Ca 0.44 -0.53 0.29 0.00 0.48 0.00 0.00 55.95 56.62 3fg0 s SER 414 Cb 0.12 0.68 1.20 0.00 0.10 0.00 0.00 66.02 68.12 3fg0 s SER 414 CO -0.04 -1.23 1.88 2.30 0.98 0.00 0.00 173.24 177.13 3fg0 n ILE 415 N -0.42 0.00 -2.86 -1.02 -5.35 -1.26 -4.91 119.36 103.54 3fg0 n ILE 415 Ca -0.07 -0.01 -0.17 0.00 -0.27 0.00 0.00 62.75 62.24 3fg0 n ILE 415 Cb 0.61 -0.34 0.07 0.00 -1.74 0.00 0.00 39.64 38.23 3fg0 n ILE 415 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3fg0 n TYR 416 N -1.38 -2.64 -2.58 4.28 4.01 -1.26 -0.78 117.16 116.81 3fg0 n TYR 416 Ca 0.09 -1.63 -0.02 0.00 -0.16 0.00 0.00 57.90 56.19 3fg0 n TYR 416 Cb 0.31 -0.50 -0.00 0.00 -0.31 0.00 0.00 39.34 38.83 3fg0 n TYR 416 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fg0 n GLY 417 N -0.95 -0.76 0.06 2.72 0.00 -1.21 -4.71 105.19 100.34 3fg0 n GLY 417 Ca 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 3fg0 n GLY 417 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fg0 h LEU 418 N 0.54 0.00 -7.77 0.99 5.85 -1.81 -0.39 115.31 112.72 3fg0 h LEU 418 Ca -0.29 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 3fg0 h LEU 418 Cb 1.12 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.06 3fg0 h LEU 418 CO -0.11 0.64 0.03 0.00 -0.34 0.00 0.00 178.44 178.67 3fg0 s ALA 419 N -2.69 -0.89 -0.01 1.25 0.00 -1.26 -1.63 121.76 116.53 3fg0 s ALA 419 Ca -0.10 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.27 3fg0 s ALA 419 Cb 0.01 0.88 0.10 0.00 0.00 0.00 0.00 23.12 24.12 3fg0 s ALA 419 CO 0.14 -0.84 1.28 0.20 0.00 0.00 0.00 175.76 176.55 3fg0 s GLY 420 N -2.90 -0.22 0.08 0.00 0.00 -0.76 -3.76 107.32 99.77 3fg0 s GLY 420 Ca 0.11 0.26 0.02 0.00 0.00 0.00 0.00 44.72 45.11 3fg0 s GLY 420 CO -0.00 3.49 -0.07 0.00 0.00 0.00 0.00 173.10 176.51 3fg0 s ALA 421 N -2.16 0.85 -0.09 3.20 0.00 -0.46 -0.82 121.76 122.27 3fg0 s ALA 421 Ca 0.24 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 51.07 3fg0 s ALA 421 Cb 0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.26 3fg0 s ALA 421 CO -0.02 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.62 3fg0 s VAL 422 N -2.69 0.87 -0.22 0.00 1.01 -0.28 -0.93 120.40 118.16 3fg0 s VAL 422 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 61.73 3fg0 s VAL 422 Cb -0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3fg0 s VAL 422 CO -0.02 0.33 0.03 -0.36 0.00 0.00 0.00 175.10 175.08 3fg0 s PHE 423 N 1.50 3.07 -0.27 5.22 0.08 0.39 -0.94 117.98 127.03 3fg0 s PHE 423 Ca -0.00 -0.43 -0.26 0.00 0.12 0.00 0.00 56.93 56.36 3fg0 s PHE 423 Cb -0.13 -2.15 0.14 0.00 -0.57 0.00 0.00 43.02 40.31 3fg0 s PHE 423 CO -0.05 -0.27 1.14 0.45 -0.10 0.00 0.00 175.22 176.39 3fg0 s SER 424 N 1.23 -0.32 0.31 1.36 0.15 -1.26 -1.66 113.70 113.50 3fg0 s SER 424 Ca 0.04 0.59 0.26 0.00 0.70 0.00 0.00 55.95 57.54 3fg0 s SER 424 Cb -0.15 0.58 0.86 0.00 -1.71 0.00 0.00 66.02 65.61 3fg0 s SER 424 CO 0.02 -0.14 1.76 0.11 1.20 0.00 0.00 173.24 176.19 3fg0 h LYS 425 N 3.65 0.00 -5.30 5.44 1.57 -1.67 -3.39 116.57 116.87 3fg0 h LYS 425 Ca -0.26 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.86 3fg0 h LYS 425 Cb 1.18 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.33 3fg0 h LYS 425 CO 0.15 0.00 0.89 0.34 -0.57 0.00 0.00 179.45 180.26 3fg0 s ASP 426 N -4.87 6.51 0.37 0.86 -1.08 -1.26 -4.88 116.67 112.32 3fg0 s ASP 426 Ca 0.07 -1.72 0.10 0.00 -0.52 0.00 0.00 52.55 50.48 3fg0 s ASP 426 Cb 0.10 -2.43 0.71 0.00 -1.46 0.00 0.00 42.92 39.84 3fg0 s ASP 426 CO 0.54 -1.22 1.85 0.40 0.52 0.00 0.00 175.17 177.26 3fg0 h ILE 427 N 6.02 1.23 -0.70 4.11 1.08 -1.99 -1.26 117.51 125.99 3fg0 h ILE 427 Ca 0.07 -1.06 -0.01 0.00 -0.39 0.00 0.00 64.86 63.47 3fg0 h ILE 427 Cb 1.03 1.45 -0.03 0.00 -3.07 0.00 0.00 36.82 36.20 3fg0 h ILE 427 CO 1.18 0.32 0.40 1.23 -0.69 0.00 0.00 178.15 180.58 3fg0 h GLY 428 N 0.93 1.03 0.73 5.37 0.00 -1.96 0.53 103.07 109.71 3fg0 h GLY 428 Ca 0.02 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 3fg0 h GLY 428 CO 0.04 0.44 -0.03 1.70 0.00 0.00 0.00 176.54 178.68 3fg0 h LYS 429 N 0.96 0.23 -0.96 4.80 3.64 -1.80 -1.91 116.57 121.53 3fg0 h LYS 429 Ca 0.25 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 3fg0 h LYS 429 Cb 0.01 -0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3fg0 h LYS 429 CO -0.04 0.54 0.60 0.00 -2.27 0.00 0.00 179.45 178.27 3fg0 h ALA 430 N 0.68 1.42 -0.44 5.00 0.00 -1.08 -1.55 119.26 123.30 3fg0 h ALA 430 Ca 0.03 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 430 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fg0 h ALA 430 CO 0.01 0.22 -0.24 1.96 0.00 0.00 0.00 179.25 181.20 3fg0 h GLN 431 N 0.96 0.91 -0.50 0.00 4.20 -0.73 -0.62 115.11 119.33 3fg0 h GLN 431 Ca 0.47 -0.39 0.02 0.00 0.06 0.00 0.00 58.65 58.80 3fg0 h GLN 431 Cb 0.43 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 3fg0 h GLN 431 CO -0.25 1.05 0.31 0.00 -0.67 0.00 0.00 178.83 179.27 3fg0 h ARG 432 N 0.78 0.61 -0.13 1.46 3.08 -0.74 -0.75 114.38 118.68 3fg0 h ARG 432 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3fg0 h ARG 432 Cb 0.80 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 3fg0 h ARG 432 CO 0.07 0.40 0.03 0.28 -1.07 0.00 0.00 179.97 179.68 3fg0 h VAL 433 N 0.63 1.19 -0.97 2.04 2.07 -1.17 -2.98 116.25 117.06 3fg0 h VAL 433 Ca 0.20 -0.60 0.11 0.00 0.82 0.00 0.00 66.70 67.23 3fg0 h VAL 433 Cb -0.02 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 3fg0 h VAL 433 CO -0.07 0.18 0.62 0.00 0.02 0.00 0.00 177.57 178.31 3fg0 h ALA 434 N 0.84 1.57 0.00 1.67 0.00 -0.85 -0.17 119.26 122.32 3fg0 h ALA 434 Ca 0.04 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 434 Cb 0.25 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 434 CO -0.00 0.20 -0.15 -0.91 0.00 0.00 0.00 179.25 178.39 3fg0 h ASN 435 N 0.96 0.00 -0.02 0.00 2.35 -0.99 -3.02 115.58 114.86 3fg0 h ASN 435 Ca 0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3fg0 h ASN 435 Cb 0.47 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.84 3fg0 h ASN 435 CO -0.23 0.15 -0.40 0.29 -1.65 0.00 0.00 177.43 175.60 3fg0 n LYS 436 N -3.81 1.41 -2.72 0.81 5.02 -0.13 -4.93 118.16 113.82 3fg0 n LYS 436 Ca -0.02 -1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 54.77 3fg0 n LYS 436 Cb 0.26 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 3fg0 n LYS 436 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg0 s LEU 437 N -2.34 4.40 -1.31 -0.35 1.43 -0.87 -4.95 118.68 114.69 3fg0 s LEU 437 Ca 0.19 1.69 -0.14 0.00 -1.03 0.00 0.00 54.13 54.84 3fg0 s LEU 437 Cb 0.17 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.94 3fg0 s LEU 437 CO 0.51 -0.21 1.81 0.29 0.23 0.00 0.00 176.35 178.98 3fg0 n LYS 438 N 3.60 3.27 -3.94 1.70 4.01 -1.26 -4.91 118.16 120.63 3fg0 n LYS 438 Ca 0.05 -3.34 -0.10 0.00 -0.51 0.00 0.00 58.31 54.41 3fg0 n LYS 438 Cb 0.51 -3.18 -0.12 0.00 -0.51 0.00 0.00 35.03 31.72 3fg0 n LYS 438 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 3fg0 s LEU 439 N 1.93 2.16 0.33 -0.35 1.43 -1.26 -4.41 118.68 118.51 3fg0 s LEU 439 Ca 0.46 -0.34 0.13 0.00 -1.03 0.00 0.00 54.13 53.35 3fg0 s LEU 439 Cb 0.06 0.07 0.57 0.00 0.03 0.00 0.00 46.19 46.92 3fg0 s LEU 439 CO 0.00 -0.20 1.72 1.23 0.23 0.00 0.00 176.35 179.33 3fg0 h GLY 440 N 5.13 0.00 -6.23 -3.19 0.00 -0.70 -3.43 103.07 94.65 3fg0 h GLY 440 Ca -0.29 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.70 3fg0 h GLY 440 CO 0.44 0.00 -0.75 -1.59 0.00 0.00 0.00 176.54 174.65 3fg0 s THR 441 N -3.81 0.18 -0.10 4.70 2.01 -0.93 -4.78 115.64 112.91 3fg0 s THR 441 Ca -0.02 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.05 3fg0 s THR 441 Cb 0.13 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.40 3fg0 s THR 441 CO 0.73 0.13 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.96 3fg0 s VAL 442 N 0.81 1.40 -0.17 3.82 1.01 -1.26 -1.82 120.40 124.19 3fg0 s VAL 442 Ca -0.08 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 3fg0 s VAL 442 Cb -0.11 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 3fg0 s VAL 442 CO -0.01 0.42 0.14 0.26 0.00 0.00 0.00 175.10 175.91 3fg0 s TRP 443 N 0.98 3.49 -0.27 5.22 0.51 -0.00 -4.99 118.94 123.87 3fg0 s TRP 443 Ca -0.07 0.42 -0.08 0.00 -2.12 0.00 0.00 56.10 54.25 3fg0 s TRP 443 Cb -0.15 -2.09 -0.02 0.00 -0.81 0.00 0.00 33.47 30.40 3fg0 s TRP 443 CO -0.01 0.46 0.10 0.42 -0.51 0.00 0.00 176.95 177.41 3fg0 s ILE 444 N -0.17 4.44 -1.48 2.03 1.01 -1.26 -1.12 121.20 124.65 3fg0 s ILE 444 Ca 0.11 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.40 3fg0 s ILE 444 Cb -0.12 -3.14 0.06 0.00 0.01 0.00 0.00 42.46 39.28 3fg0 s ILE 444 CO 0.01 0.25 0.99 0.59 0.00 0.00 0.00 174.94 176.77 3fg0 n ASN 445 N 4.95 -4.68 -3.71 3.58 3.02 -0.11 -4.99 115.26 113.31 3fg0 n ASN 445 Ca -0.15 -0.74 -0.08 0.00 -0.03 0.00 0.00 54.58 53.58 3fg0 n ASN 445 Cb 0.51 -4.11 -0.02 0.00 -0.61 0.00 0.00 39.78 35.55 3fg0 n ASN 445 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fg0 s ASP 446 N -3.43 -0.17 -0.17 6.41 -1.08 -1.26 -5.08 116.67 111.89 3fg0 s ASP 446 Ca 0.58 -0.75 -0.09 0.00 -0.52 0.00 0.00 52.55 51.77 3fg0 s ASP 446 Cb -0.28 0.73 0.06 0.00 -1.46 0.00 0.00 42.92 41.97 3fg0 s ASP 446 CO 0.81 -1.38 0.40 0.12 0.52 0.00 0.00 175.17 175.64 3fg0 s PHE 447 N -3.65 -0.59 0.00 -5.34 5.36 -1.26 -4.73 117.98 107.77 3fg0 s PHE 447 Ca 0.13 1.26 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3fg0 s PHE 447 Cb -0.05 0.25 0.00 0.00 -0.34 0.00 0.00 43.02 42.88 3fg0 s PHE 447 CO 0.08 -0.34 0.00 0.72 -1.46 0.00 0.00 175.22 174.22 3fg0 n HIS 448 N 4.30 0.00 -1.95 10.12 8.25 -1.26 -4.92 115.22 129.75 3fg0 n HIS 448 Ca -0.23 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 56.81 3fg0 n HIS 448 Cb 0.55 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.64 3fg0 n HIS 448 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3fg0 s PRO 449 N -0.99 4.23 0.03 -0.41 0.02 -1.26 -5.00 135.00 131.61 3fg0 s PRO 449 Ca 0.00 2.37 -0.05 0.00 0.02 0.00 0.00 61.00 63.34 3fg0 s PRO 449 Cb 0.00 -3.10 -0.01 0.00 0.02 0.00 0.00 34.50 31.41 3fg0 s PRO 449 CO 0.00 -0.49 0.08 1.52 -0.33 0.00 0.00 177.00 177.77 3fg0 s TYR 450 N 0.19 0.19 0.12 6.54 -0.85 -1.26 -5.06 117.35 117.21 3fg0 s TYR 450 Ca 0.62 -0.44 -0.25 0.00 -0.52 0.00 0.00 57.07 56.48 3fg0 s TYR 450 Cb -0.43 -0.14 0.07 0.00 0.38 0.00 0.00 41.96 41.84 3fg0 s TYR 450 CO 0.42 -0.31 0.62 -0.59 -1.52 0.00 0.00 175.55 174.16 3fg0 s PHE 451 N -2.14 -0.56 0.54 -3.49 -0.12 -1.26 -5.05 117.98 105.89 3fg0 s PHE 451 Ca -0.09 0.49 0.24 0.00 -0.05 0.00 0.00 56.93 57.51 3fg0 s PHE 451 Cb -0.04 0.53 1.43 0.00 -0.63 0.00 0.00 43.02 44.31 3fg0 s PHE 451 CO -0.03 -0.80 2.06 0.00 -0.05 0.00 0.00 175.22 176.40 3fg0 h ALA 452 N 2.20 2.21 0.00 1.99 0.00 -1.93 -1.66 119.26 122.07 3fg0 h ALA 452 Ca -0.33 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3fg0 h ALA 452 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fg0 h ALA 452 CO 0.38 -0.40 0.00 1.96 0.00 0.00 0.00 179.25 181.19 3fg0 h GLN 453 N 0.00 0.00 -5.60 0.00 7.50 -1.95 0.35 115.11 115.41 3fg0 h GLN 453 Ca 0.15 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.71 3fg0 h GLN 453 Cb 0.63 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 27.86 3fg0 h GLN 453 CO -0.00 0.00 -0.85 0.00 -1.50 0.00 0.00 178.83 176.48 3fg0 s ALA 454 N -3.57 1.66 0.47 3.87 0.00 -0.63 -4.48 121.76 119.08 3fg0 s ALA 454 Ca 0.02 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 3fg0 s ALA 454 Cb 0.09 -0.50 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 3fg0 s ALA 454 CO 0.48 0.34 1.21 -1.25 0.00 0.00 0.00 175.76 176.54 3fg0 s PRO 455 N -0.15 3.66 -0.07 0.00 0.04 -1.26 -4.09 135.00 133.13 3fg0 s PRO 455 Ca -0.00 1.89 0.02 0.00 0.04 0.00 0.00 61.00 62.95 3fg0 s PRO 455 Cb -0.11 -2.41 0.01 0.00 0.04 0.00 0.00 34.50 32.04 3fg0 s PRO 455 CO 0.01 -0.66 -0.13 -0.46 0.04 0.00 0.00 177.00 175.80 3fg0 s TRP 456 N -1.47 1.58 -2.30 0.56 -0.11 0.91 -4.91 118.94 113.20 3fg0 s TRP 456 Ca 0.64 -0.62 0.00 0.00 1.22 0.00 0.00 56.10 57.35 3fg0 s TRP 456 Cb -0.32 -1.15 0.00 0.00 -1.50 0.00 0.00 33.47 30.50 3fg0 s TRP 456 CO 0.38 -0.32 0.00 0.41 -4.62 0.00 0.00 176.95 172.80 3fg0 n GLY 457 N 3.90 -1.87 3.54 5.86 0.00 -1.26 -0.95 105.19 114.40 3fg0 n GLY 457 Ca -0.22 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 3fg0 n GLY 457 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 458 N 0.00 1.72 0.69 -0.02 0.00 -1.26 -3.59 107.32 104.87 3fg0 s GLY 458 Ca 0.00 -1.21 -0.11 0.00 0.00 0.00 0.00 44.72 43.40 3fg0 s GLY 458 CO 0.00 -1.15 1.08 -0.19 0.00 0.00 0.00 173.10 172.84 3fg0 s TYR 459 N -1.10 3.35 0.00 1.90 4.12 -0.21 -4.05 117.35 121.35 3fg0 s TYR 459 Ca 0.19 1.10 0.00 0.00 0.02 0.00 0.00 57.07 58.38 3fg0 s TYR 459 Cb -0.11 -3.01 0.00 0.00 -1.52 0.00 0.00 41.96 37.33 3fg0 s TYR 459 CO 0.10 -1.12 0.00 1.63 0.02 0.00 0.00 175.55 176.18 3fg0 n LYS 460 N -2.98 0.00 -0.02 -0.62 5.02 -1.26 -1.95 118.16 116.34 3fg0 n LYS 460 Ca 0.07 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 3fg0 n LYS 460 Cb 0.56 0.00 0.63 0.00 -0.02 0.00 0.00 35.03 36.20 3fg0 n LYS 460 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fg0 n GLN 461 N 14.00 1.24 0.05 1.97 6.02 0.04 -3.19 117.38 137.50 3fg0 n GLN 461 Ca 0.00 -0.35 0.11 0.00 -0.01 0.00 0.00 57.00 56.75 3fg0 n GLN 461 Cb 0.00 -1.40 0.46 0.00 1.02 0.00 0.00 30.24 30.32 3fg0 n GLN 461 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3fg0 n SER 462 N -0.49 0.33 0.00 1.08 7.64 -0.82 -4.66 113.62 116.69 3fg0 n SER 462 Ca 0.18 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.61 3fg0 n SER 462 Cb 0.17 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 3fg0 n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fg0 n GLY 463 N 0.70 -0.52 2.81 0.23 0.00 -1.19 -0.49 105.19 106.73 3fg0 n GLY 463 Ca 0.05 -1.39 -0.16 0.00 0.00 0.00 0.00 46.02 44.52 3fg0 n GLY 463 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fg0 s ILE 464 N -2.82 -0.11 0.00 -0.61 1.01 -0.47 -4.64 121.20 113.57 3fg0 s ILE 464 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 3fg0 s ILE 464 Cb 0.00 -0.18 0.00 0.00 0.01 0.00 0.00 42.46 42.29 3fg0 s ILE 464 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.66 3fg0 n GLY 465 N 4.64 -1.93 3.07 6.18 0.00 -1.26 -0.64 105.19 115.25 3fg0 n GLY 465 Ca -0.18 -1.67 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 3fg0 n GLY 465 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg0 s ARG 466 N 0.00 0.57 0.18 1.61 1.81 -1.26 -4.38 118.95 117.47 3fg0 s ARG 466 Ca 0.00 -0.97 0.11 0.00 -1.72 0.00 0.00 55.73 53.15 3fg0 s ARG 466 Cb 0.00 -0.06 -0.04 0.00 -0.45 0.00 0.00 34.95 34.40 3fg0 s ARG 466 CO 0.00 -0.03 -0.24 -1.21 -0.68 0.00 0.00 175.30 173.14 3fg0 s GLU 467 N -2.64 1.48 0.20 3.54 2.02 -0.13 -4.18 118.70 119.00 3fg0 s GLU 467 Ca -0.02 -1.49 0.00 0.00 0.02 0.00 0.00 54.97 53.48 3fg0 s GLU 467 Cb -0.02 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.38 3fg0 s GLU 467 CO -0.04 0.40 0.00 1.28 0.02 0.00 0.00 175.26 176.93 3fg0 n LEU 468 N 0.39 -0.35 0.00 1.80 4.77 -1.26 -0.06 117.00 122.29 3fg0 n LEU 468 Ca -0.14 0.81 0.05 0.00 -0.03 0.00 0.00 56.01 56.71 3fg0 n LEU 468 Cb 0.55 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.28 3fg0 n LEU 468 CO 0.28 -0.91 -0.07 0.61 -1.33 0.00 0.00 177.39 175.97 3fg0 n GLY 469 N -2.98 -1.52 0.29 -0.72 0.00 0.12 -0.70 105.19 99.69 3fg0 n GLY 469 Ca -0.03 -1.17 -0.05 0.00 0.00 0.00 0.00 46.02 44.78 3fg0 n GLY 469 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg0 h LYS 470 N 0.00 0.87 -0.59 1.61 1.57 -1.85 -2.48 116.57 115.70 3fg0 h LYS 470 Ca 0.01 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3fg0 h LYS 470 Cb 0.34 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.52 3fg0 h LYS 470 CO 0.00 0.86 0.34 0.93 -0.57 0.00 0.00 179.45 181.01 3fg0 h GLU 471 N 0.81 0.80 -0.66 3.15 5.08 -1.95 -1.31 114.58 120.50 3fg0 h GLU 471 Ca 0.16 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3fg0 h GLU 471 Cb 0.46 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 3fg0 h GLU 471 CO 0.02 0.57 0.21 0.78 -1.00 0.00 0.00 179.01 179.59 3fg0 h GLY 472 N 0.86 1.11 1.21 -3.84 0.00 -0.47 -2.58 103.07 99.35 3fg0 h GLY 472 Ca 0.21 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3fg0 h GLY 472 CO -0.04 0.61 0.30 -2.00 0.00 0.00 0.00 176.54 175.42 3fg0 h LEU 473 N 0.96 0.92 -2.05 3.11 5.85 -1.04 -3.06 115.31 120.01 3fg0 h LEU 473 Ca 0.21 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3fg0 h LEU 473 Cb 0.30 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3fg0 h LEU 473 CO -0.01 0.81 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.49 3fg0 h GLU 474 N 1.00 0.00 0.00 1.25 5.08 -0.85 -1.06 114.58 120.01 3fg0 h GLU 474 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3fg0 h GLU 474 Cb 0.15 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3fg0 h GLU 474 CO -0.03 0.08 -0.00 0.93 -1.00 0.00 0.00 179.01 179.00 3fg0 h GLU 475 N 0.00 0.00 -0.65 2.33 4.39 -1.42 -2.50 114.58 116.72 3fg0 h GLU 475 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3fg0 h GLU 475 Cb 0.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 3fg0 h GLU 475 CO 0.01 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.52 3fg0 n TYR 476 N -4.20 1.03 -4.39 4.33 4.01 -0.40 -4.87 117.16 112.66 3fg0 n TYR 476 Ca -0.03 -0.47 -0.23 0.00 -0.16 0.00 0.00 57.90 57.01 3fg0 n TYR 476 Cb 0.09 -0.08 -0.11 0.00 -0.31 0.00 0.00 39.34 38.93 3fg0 n TYR 476 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fg0 s LEU 477 N -1.24 2.50 -0.00 7.72 1.43 -0.94 -0.50 118.68 127.66 3fg0 s LEU 477 Ca 0.44 -0.94 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3fg0 s LEU 477 Cb 0.25 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 3fg0 s LEU 477 CO 0.27 -0.01 -0.09 0.54 0.23 0.00 0.00 176.35 177.29 3fg0 s VAL 478 N -2.28 0.72 -0.03 -1.59 0.11 0.60 -4.56 120.40 113.36 3fg0 s VAL 478 Ca 0.22 -0.45 -0.18 0.00 -2.93 0.00 0.00 61.98 58.65 3fg0 s VAL 478 Cb -0.05 -0.62 -0.05 0.00 -1.53 0.00 0.00 36.38 34.13 3fg0 s VAL 478 CO 0.10 0.16 0.50 -0.44 -3.33 0.00 0.00 175.10 172.09 3fg0 s SER 479 N -0.32 6.84 -0.13 3.54 0.01 -1.26 -1.15 113.70 121.23 3fg0 s SER 479 Ca 0.03 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.30 3fg0 s SER 479 Cb -0.04 -2.30 0.02 0.00 0.21 0.00 0.00 66.02 63.91 3fg0 s SER 479 CO -0.00 0.16 -0.13 -0.75 0.41 0.00 0.00 173.24 172.93 3fg0 s LYS 480 N -0.32 2.13 -0.36 12.44 2.20 -0.35 -4.98 119.74 130.50 3fg0 s LYS 480 Ca 0.27 -0.50 -0.23 0.00 -0.36 0.00 0.00 55.97 55.15 3fg0 s LYS 480 Cb -0.17 -1.96 0.01 0.00 -1.51 0.00 0.00 37.83 34.20 3fg0 s LYS 480 CO 0.14 -0.21 0.76 -1.58 -0.36 0.00 0.00 175.35 174.11 3fg0 s HIS 481 N 1.43 3.13 -0.29 4.03 5.65 -1.26 -0.55 115.29 127.42 3fg0 s HIS 481 Ca 0.03 0.55 -0.08 0.00 0.25 0.00 0.00 55.06 55.80 3fg0 s HIS 481 Cb -0.13 -3.35 -0.01 0.00 -1.18 0.00 0.00 32.58 27.91 3fg0 s HIS 481 CO -0.08 -0.70 0.12 0.42 -0.65 0.00 0.00 174.74 173.84 3fg0 s ILE 482 N 3.03 4.42 -0.21 0.89 1.01 0.51 -4.98 121.20 125.87 3fg0 s ILE 482 Ca 0.30 -0.40 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 3fg0 s ILE 482 Cb -0.13 -3.21 0.00 0.00 0.01 0.00 0.00 42.46 39.13 3fg0 s ILE 482 CO 0.16 0.14 -0.09 -0.22 0.00 0.00 0.00 174.94 174.94 3fg0 s LEU 483 N 1.59 2.69 -0.19 2.97 1.98 -1.26 -1.57 118.68 124.89 3fg0 s LEU 483 Ca 0.05 -0.49 -0.05 0.00 -2.89 0.00 0.00 54.13 50.75 3fg0 s LEU 483 Cb -0.17 -1.66 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 3fg0 s LEU 483 CO 0.05 -0.02 -0.00 -0.89 -1.89 0.00 0.00 176.35 173.60 3fg0 s THR 484 N 1.42 4.00 -0.41 3.68 2.01 0.11 -4.96 115.64 121.49 3fg0 s THR 484 Ca 0.05 -0.30 -0.22 0.00 0.31 0.00 0.00 61.69 61.53 3fg0 s THR 484 Cb -0.14 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.59 3fg0 s THR 484 CO -0.06 0.44 0.74 0.21 -0.69 0.00 0.00 174.62 175.25 3fg0 s ASN 485 N 0.88 6.43 0.00 3.53 3.84 -1.26 -0.97 114.94 127.39 3fg0 s ASN 485 Ca 0.01 0.01 0.28 0.00 0.21 0.00 0.00 52.86 53.37 3fg0 s ASN 485 Cb -0.14 -2.37 1.12 0.00 -0.55 0.00 0.00 41.25 39.31 3fg0 s ASN 485 CO 0.02 -0.80 1.78 0.35 -2.79 0.00 0.00 177.10 175.67 3fg0 n THR 486 N 5.92 0.00 -2.98 -5.21 -2.24 -0.20 -4.12 114.28 105.45 3fg0 n THR 486 Ca 0.01 -0.16 -0.15 0.00 -2.27 0.00 0.00 64.05 61.48 3fg0 n THR 486 Cb 0.48 0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 3fg0 n THR 486 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3fg0 n ASN 487 N -0.32 -0.93 -4.73 3.42 5.15 -1.24 -5.04 115.26 111.57 3fg0 n ASN 487 Ca 0.17 -3.15 -0.42 0.00 -0.60 0.00 0.00 54.58 50.59 3fg0 n ASN 487 Cb 0.31 0.52 -0.03 0.00 -0.53 0.00 0.00 39.78 40.05 3fg0 n ASN 487 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fg0 s PRO 488 N -0.76 4.30 0.11 1.20 0.04 -1.26 -5.01 135.00 133.62 3fg0 s PRO 488 Ca 0.33 2.17 0.09 0.00 0.04 0.00 0.00 61.00 63.63 3fg0 s PRO 488 Cb 0.26 -3.19 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 3fg0 s PRO 488 CO -0.12 -0.43 -0.23 -0.65 0.04 0.00 0.00 177.00 175.61 3fg0 s GLN 489 N 0.58 1.26 0.44 4.56 -1.52 -1.26 -5.12 119.66 118.60 3fg0 s GLN 489 Ca 0.63 -1.22 -0.24 0.00 -1.95 0.00 0.00 55.36 52.57 3fg0 s GLN 489 Cb -0.39 -1.61 -0.08 0.00 -0.22 0.00 0.00 33.01 30.72 3fg0 s GLN 489 CO 0.34 0.38 1.26 -0.51 -0.25 0.00 0.00 175.29 176.51 3fg0 s LEU 490 N -1.92 4.10 -0.00 2.90 1.02 -1.26 -4.94 118.68 118.58 3fg0 s LEU 490 Ca 0.09 2.54 -0.07 0.00 0.02 0.00 0.00 54.13 56.72 3fg0 s LEU 490 Cb -0.10 -4.06 -0.30 0.00 0.02 0.00 0.00 46.19 41.75 3fg0 s LEU 490 CO 0.05 -0.96 0.85 0.58 0.02 0.00 0.00 176.35 176.88 3fg0 h VAL 491 N 2.13 1.14 -6.12 -1.59 2.07 -2.01 -3.48 116.25 108.39 3fg0 h VAL 491 Ca -0.50 -2.72 -0.44 0.00 0.82 0.00 0.00 66.70 63.87 3fg0 h VAL 491 Cb 1.25 2.82 0.04 0.00 -1.52 0.00 0.00 31.29 33.88 3fg0 h VAL 491 CO 0.61 0.83 -0.77 0.59 0.02 0.00 0.00 177.57 178.85 3fg0 n ASN 492 N -3.54 -3.66 0.05 0.57 3.02 -1.26 -4.91 115.26 105.53 3fg0 n ASN 492 Ca -0.18 -0.74 -0.20 0.00 -0.03 0.00 0.00 54.58 53.43 3fg0 n ASN 492 Cb 1.06 -4.21 -0.14 0.00 -0.61 0.00 0.00 39.78 35.88 3fg0 n ASN 492 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3fg0 h TRP 493 N -2.10 0.57 -3.20 3.10 2.91 -2.03 -3.46 115.95 111.74 3fg0 h TRP 493 Ca -0.59 -0.40 -0.58 0.00 1.13 0.00 0.00 58.89 58.45 3fg0 h TRP 493 Cb 1.37 -0.03 -0.05 0.00 -0.51 0.00 0.00 29.16 29.94 3fg0 h TRP 493 CO 0.51 1.30 -0.07 -0.06 -1.03 0.00 0.00 178.44 179.10 3fg0 s PHE 494 N -2.54 3.79 0.63 2.65 0.08 -1.26 -5.04 117.98 116.29 3fg0 s PHE 494 Ca -0.13 1.22 -0.18 0.00 0.12 0.00 0.00 56.93 57.96 3fg0 s PHE 494 Cb 0.01 -2.46 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 3fg0 s PHE 494 CO 0.83 0.59 1.05 0.43 -0.10 0.00 0.00 175.22 178.02 3fg0 n SER 495 N 1.76 1.06 0.00 1.36 7.64 -1.26 -5.15 113.62 119.02 3fg0 n SER 495 Ca -0.11 0.79 0.00 0.00 1.01 0.00 0.00 58.87 60.56 3fg0 n SER 495 Cb 0.51 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 3fg0 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32