#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg0 h SER -2 N 0.00 0.00 1.01 1.69 4.64 -2.03 -0.59 113.55 118.27 3fg0 h SER -2 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3fg0 h SER -2 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3fg0 h SER -2 CO 0.00 0.03 -0.85 0.78 -0.87 0.00 0.00 176.83 175.91 3fg0 h ASN -1 N 0.00 0.00 0.39 4.97 4.21 -2.04 -0.60 115.58 122.51 3fg0 h ASN -1 Ca -0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 3fg0 h ASN -1 Cb 0.84 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.03 3fg0 h ASN -1 CO 0.00 0.85 -0.58 0.00 -1.29 0.00 0.00 177.43 176.42 3fg0 h ALA 0 N 1.15 0.92 -0.33 -0.83 0.00 -1.84 -0.10 119.26 118.22 3fg0 h ALA 0 Ca -0.01 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3fg0 h ALA 0 Cb 1.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3fg0 h ALA 0 CO 0.11 0.71 -0.20 0.52 0.00 0.00 0.00 179.25 180.39 3fg0 h MET 1 N 0.15 0.73 -0.09 0.00 2.86 -1.02 -2.50 114.93 115.05 3fg0 h MET 1 Ca -0.00 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.29 3fg0 h MET 1 Cb 1.06 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.70 3fg0 h MET 1 CO 0.09 0.94 0.00 0.93 1.06 0.00 0.00 176.91 179.93 3fg0 h GLU 2 N 0.50 0.13 -0.95 1.72 5.08 -0.83 -1.46 114.58 118.76 3fg0 h GLU 2 Ca 0.07 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.52 3fg0 h GLU 2 Cb 0.75 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.89 3fg0 h GLU 2 CO 0.06 0.14 0.59 -0.07 -1.00 0.00 0.00 179.01 178.73 3fg0 h LEU 3 N 0.13 0.87 -2.64 1.33 3.38 -0.56 -1.67 115.31 116.16 3fg0 h LEU 3 Ca 0.03 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3fg0 h LEU 3 Cb 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3fg0 h LEU 3 CO 0.00 0.49 0.00 -0.07 0.09 0.00 0.00 178.44 178.95 3fg0 h LEU 4 N 0.97 0.00 -0.15 1.67 3.38 -1.14 -2.26 115.31 117.77 3fg0 h LEU 4 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3fg0 h LEU 4 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3fg0 h LEU 4 CO -0.25 0.00 0.00 2.29 0.09 0.00 0.00 178.44 180.57 3fg0 n LYS 5 N -3.05 0.04 -0.00 1.13 2.85 -0.63 -2.18 118.16 116.32 3fg0 n LYS 5 Ca -0.02 0.31 0.01 0.00 -1.05 0.00 0.00 58.31 57.56 3fg0 n LYS 5 Cb 0.11 -1.58 0.01 0.00 -0.65 0.00 0.00 35.03 32.93 3fg0 n LYS 5 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3fg0 n HIS 6 N -1.65 0.01 -2.94 5.58 8.25 -0.85 -5.04 115.22 118.58 3fg0 n HIS 6 Ca 0.03 -0.11 -0.37 0.00 -0.26 0.00 0.00 57.72 57.02 3fg0 n HIS 6 Cb 0.16 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 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 -0.31 4.35 0.62 2.41 2.96 -0.93 -5.03 118.68 122.75 3fg0 s LEU 7 Ca 0.02 1.63 -0.18 0.00 -0.22 0.00 0.00 54.13 55.38 3fg0 s LEU 7 Cb 0.01 -3.79 -0.02 0.00 0.50 0.00 0.00 46.19 42.89 3fg0 s LEU 7 CO 0.02 -0.01 1.18 -0.44 -1.32 0.00 0.00 176.35 175.78 3fg0 s SER 8 N -1.62 5.09 0.00 3.68 0.01 -1.26 -4.95 113.70 114.66 3fg0 s SER 8 Ca 0.46 2.30 0.06 0.00 1.31 0.00 0.00 55.95 60.08 3fg0 s SER 8 Cb -0.18 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.61 3fg0 s SER 8 CO 0.22 -1.65 1.05 0.00 0.41 0.00 0.00 173.24 173.27 3fg0 n GLN 9 N -1.85 2.24 -4.45 12.44 6.02 -1.26 -4.99 117.38 125.53 3fg0 n GLN 9 Ca 0.13 -1.61 -0.29 0.00 -0.01 0.00 0.00 57.00 55.22 3fg0 n GLN 9 Cb 0.50 -1.15 -0.08 0.00 1.02 0.00 0.00 30.24 30.54 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 -0.90 2.14 0.79 -1.09 0.52 -1.26 -0.70 118.95 118.45 3fg0 s ARG 10 Ca 0.12 -2.13 -0.12 0.00 -0.52 0.00 0.00 55.73 53.09 3fg0 s ARG 10 Cb 0.07 -1.75 0.07 0.00 0.52 0.00 0.00 34.95 33.85 3fg0 s ARG 10 CO 0.09 -0.24 1.13 -0.65 0.02 0.00 0.00 175.30 175.65 3fg0 s GLN 11 N -3.89 2.15 -0.23 3.54 -0.21 -0.41 -4.82 119.66 115.80 3fg0 s GLN 11 Ca 0.27 0.33 -0.01 0.00 0.02 0.00 0.00 55.36 55.97 3fg0 s GLN 11 Cb 0.04 -1.95 0.07 0.00 1.00 0.00 0.00 33.01 32.17 3fg0 s GLN 11 CO 0.15 -1.51 0.01 -0.47 -2.12 0.00 0.00 175.29 171.35 3fg0 s TYR 12 N -3.40 1.66 -0.06 0.91 5.04 -0.57 -0.28 117.35 120.65 3fg0 s TYR 12 Ca 0.61 -1.33 0.00 0.00 -2.44 0.00 0.00 57.07 53.91 3fg0 s TYR 12 Cb -0.12 -1.34 0.02 0.00 0.35 0.00 0.00 41.96 40.87 3fg0 s TYR 12 CO 0.51 -0.71 -0.04 0.42 -1.34 0.00 0.00 175.55 174.39 3fg0 s ILE 13 N 1.64 0.61 -1.36 3.14 1.01 -0.35 0.64 121.20 126.53 3fg0 s ILE 13 Ca -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 3fg0 s ILE 13 Cb -0.18 -0.67 0.01 0.00 0.01 0.00 0.00 42.46 41.63 3fg0 s ILE 13 CO -0.09 0.27 0.60 -0.67 0.00 0.00 0.00 174.94 175.04 3fg0 n ASP 14 N 4.47 -1.00 0.00 3.58 2.03 -1.26 -2.26 116.55 122.11 3fg0 n ASP 14 Ca -0.18 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.23 3fg0 n ASP 14 Cb 0.51 -3.62 0.00 0.00 -0.72 0.00 0.00 41.12 37.29 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 -1.74 0.61 2.92 0.27 0.00 -1.26 -4.55 105.19 101.44 3fg0 n GLY 15 Ca -0.28 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.07 0.23 0.03 1.61 0.41 -0.96 -5.06 118.70 114.89 3fg0 s GLU 16 Ca 0.00 -0.16 -0.30 0.00 -0.41 0.00 0.00 54.97 54.10 3fg0 s GLU 16 Cb 0.00 -0.18 -0.05 0.00 -1.78 0.00 0.00 34.13 32.12 3fg0 s GLU 16 CO 0.00 0.05 1.18 -1.58 -0.49 0.00 0.00 175.26 174.41 3fg0 s TRP 17 N -0.22 3.40 -0.01 1.61 0.52 -1.26 -1.21 118.94 121.76 3fg0 s TRP 17 Ca -0.01 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.37 3fg0 s TRP 17 Cb -0.02 -3.39 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 3fg0 s TRP 17 CO -0.00 -1.16 0.13 0.14 0.02 0.00 0.00 176.95 176.08 3fg0 s VAL 18 N 1.31 0.06 1.04 4.03 -7.23 0.61 -4.96 120.40 115.28 3fg0 s VAL 18 Ca 0.57 -0.53 -0.17 0.00 -1.81 0.00 0.00 61.98 60.05 3fg0 s VAL 18 Cb -0.28 -0.37 0.22 0.00 0.56 0.00 0.00 36.38 36.52 3fg0 s VAL 18 CO 0.28 -0.29 1.20 -1.61 -0.31 0.00 0.00 175.10 174.37 3fg0 s GLU 19 N -1.03 0.03 0.42 4.82 2.02 -1.26 -1.28 118.70 122.41 3fg0 s GLU 19 Ca -0.11 -0.14 -0.24 0.00 0.02 0.00 0.00 54.97 54.50 3fg0 s GLU 19 Cb -0.06 -1.75 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 3fg0 s GLU 19 CO 0.01 -2.87 1.12 0.45 0.02 0.00 0.00 175.26 174.00 3fg0 s SER 20 N -4.34 6.51 0.52 -0.19 0.15 -1.26 -4.83 113.70 110.26 3fg0 s SER 20 Ca 0.71 2.22 0.25 0.00 0.70 0.00 0.00 55.95 59.83 3fg0 s SER 20 Cb -0.08 -2.60 1.36 0.00 -1.71 0.00 0.00 66.02 62.99 3fg0 s SER 20 CO 0.54 -0.67 1.97 0.00 1.20 0.00 0.00 173.24 176.28 3fg0 h ALA 21 N 2.43 2.50 -0.47 5.45 0.00 -1.95 0.12 119.26 127.34 3fg0 h ALA 21 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3fg0 h ALA 21 Cb 1.23 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg0 h ALA 21 CO 0.62 -0.67 0.00 0.27 0.00 0.00 0.00 179.25 179.47 3fg0 n ASN 22 N -4.38 3.60 -0.45 0.00 0.23 -1.26 -4.97 115.26 108.03 3fg0 n ASN 22 Ca 0.11 -1.99 -0.06 0.00 -0.53 0.00 0.00 54.58 52.11 3fg0 n ASN 22 Cb 0.64 -0.31 -0.03 0.00 -2.08 0.00 0.00 39.78 38.01 3fg0 n ASN 22 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3fg0 n LYS 23 N 1.54 -1.64 -2.22 -3.83 5.02 0.42 -4.99 118.16 112.46 3fg0 n LYS 23 Ca 0.21 0.67 -0.34 0.00 -2.02 0.00 0.00 58.31 56.82 3fg0 n LYS 23 Cb 0.61 -5.00 0.00 0.00 -0.02 0.00 0.00 35.03 30.62 3fg0 n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3fg0 s ASN 24 N -2.25 5.74 0.26 4.39 2.47 -1.26 -4.88 114.94 119.41 3fg0 s ASN 24 Ca 0.00 2.08 0.02 0.00 0.42 0.00 0.00 52.86 55.38 3fg0 s ASN 24 Cb 0.00 -2.57 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 3fg0 s ASN 24 CO 0.00 -1.20 0.06 0.42 -3.72 0.00 0.00 177.10 172.66 3fg0 s THR 25 N -1.95 0.77 0.00 -5.21 -4.23 -1.26 -0.89 115.64 102.87 3fg0 s THR 25 Ca 0.70 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 59.24 3fg0 s THR 25 Cb -0.21 -2.57 -0.01 0.00 1.34 0.00 0.00 72.50 71.05 3fg0 s THR 25 CO 0.29 -0.10 -0.09 -0.60 -0.54 0.00 0.00 174.62 173.57 3fg0 s ARG 26 N -3.97 0.72 -0.13 3.99 3.52 0.19 -4.67 118.95 118.60 3fg0 s ARG 26 Ca 0.35 -0.38 -0.20 0.00 -0.13 0.00 0.00 55.73 55.37 3fg0 s ARG 26 Cb 0.07 -0.68 -0.04 0.00 -1.56 0.00 0.00 34.95 32.74 3fg0 s ARG 26 CO 0.12 0.18 0.56 -0.51 -0.81 0.00 0.00 175.30 174.84 3fg0 s ASP 27 N -0.36 6.75 -0.13 -2.12 1.01 -1.26 -0.77 116.67 119.77 3fg0 s ASP 27 Ca 0.02 0.89 -0.12 0.00 0.71 0.00 0.00 52.55 54.05 3fg0 s ASP 27 Cb -0.04 -2.33 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 3fg0 s ASP 27 CO -0.00 -0.08 0.27 -0.63 0.21 0.00 0.00 175.17 174.93 3fg0 s ILE 28 N 0.95 5.31 0.11 0.77 -1.09 0.16 -5.00 121.20 122.41 3fg0 s ILE 28 Ca 0.29 0.50 0.06 0.00 -2.23 0.00 0.00 60.65 59.26 3fg0 s ILE 28 Cb -0.16 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 3fg0 s ILE 28 CO 0.12 0.46 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.66 3fg0 s ILE 29 N -0.01 3.90 -0.31 2.92 -1.09 -1.26 -0.21 121.20 125.14 3fg0 s ILE 29 Ca 0.16 -1.12 -0.17 0.00 -2.23 0.00 0.00 60.65 57.30 3fg0 s ILE 29 Cb -0.13 -2.88 -0.02 0.00 -1.58 0.00 0.00 42.46 37.85 3fg0 s ILE 29 CO 0.05 0.06 0.48 0.21 -1.23 0.00 0.00 174.94 174.50 3fg0 s ASN 30 N -2.47 6.32 0.37 3.58 3.84 -0.58 -4.80 114.94 121.21 3fg0 s ASN 30 Ca 0.26 0.15 0.27 0.00 0.21 0.00 0.00 52.86 53.76 3fg0 s ASN 30 Cb -0.11 -2.25 1.12 0.00 -0.55 0.00 0.00 41.25 39.46 3fg0 s ASN 30 CO 0.18 -0.37 1.82 1.55 -2.79 0.00 0.00 177.10 177.49 3fg0 h PRO 31 N 8.30 0.00 -0.63 0.43 0.13 -1.81 0.57 132.00 138.99 3fg0 h PRO 31 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 3fg0 h PRO 31 Cb 1.14 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.24 3fg0 h PRO 31 CO 0.73 0.00 0.22 -0.92 -0.23 0.00 0.00 178.00 177.80 3fg0 h TYR 32 N 0.00 0.96 0.00 1.56 3.20 -1.89 -0.79 116.97 120.00 3fg0 h TYR 32 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 3fg0 h TYR 32 Cb 0.43 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3fg0 h TYR 32 CO 0.00 0.75 0.00 0.27 -1.64 0.00 0.00 178.16 177.54 3fg0 n ASN 33 N -4.29 0.52 -1.84 -2.11 0.23 -1.04 -2.95 115.26 103.78 3fg0 n ASN 33 Ca 0.05 -1.10 -0.20 0.00 -0.53 0.00 0.00 54.58 52.80 3fg0 n ASN 33 Cb 0.19 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.83 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 -0.05 -1.53 -3.35 -3.83 6.02 0.20 -4.68 117.38 110.16 3fg0 n GLN 34 Ca 0.00 1.13 -0.33 0.00 -0.01 0.00 0.00 57.00 57.79 3fg0 n GLN 34 Cb 0.20 -5.60 -0.06 0.00 1.02 0.00 0.00 30.24 25.81 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 -4.13 3.89 -0.12 -1.09 2.02 -1.23 -4.80 118.70 113.23 3fg0 s GLU 35 Ca 0.00 0.40 -0.29 0.00 0.02 0.00 0.00 54.97 55.10 3fg0 s GLU 35 Cb 0.00 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 3fg0 s GLU 35 CO 0.00 0.33 1.28 0.08 0.02 0.00 0.00 175.26 176.97 3fg0 s VAL 36 N -1.76 4.19 -0.27 2.63 1.01 -1.26 -1.52 120.40 123.42 3fg0 s VAL 36 Ca 0.46 1.47 0.13 0.00 0.00 0.00 0.00 61.98 64.05 3fg0 s VAL 36 Cb -0.12 -3.95 -0.18 0.00 0.00 0.00 0.00 36.38 32.13 3fg0 s VAL 36 CO 0.20 -0.09 0.40 2.30 0.00 0.00 0.00 175.10 177.92 3fg0 n ILE 37 N 5.14 0.00 -3.48 2.22 -5.35 0.71 -4.95 119.36 113.64 3fg0 n ILE 37 Ca 0.13 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.25 3fg0 n ILE 37 Cb 0.45 0.54 -0.03 0.00 -1.74 0.00 0.00 39.64 38.86 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 -2.63 -0.45 -0.08 4.28 5.36 -1.14 -5.00 117.98 118.33 3fg0 s PHE 38 Ca -0.01 0.39 0.02 0.00 -0.96 0.00 0.00 56.93 56.37 3fg0 s PHE 38 Cb 0.09 0.52 0.02 0.00 -0.34 0.00 0.00 43.02 43.31 3fg0 s PHE 38 CO 0.54 -0.63 -0.11 0.99 -1.46 0.00 0.00 175.22 174.55 3fg0 s THR 39 N -2.92 1.09 0.25 0.12 2.01 -1.26 0.35 115.64 115.28 3fg0 s THR 39 Ca 0.01 -0.43 0.07 0.00 0.31 0.00 0.00 61.69 61.66 3fg0 s THR 39 Cb -0.01 -1.03 -0.05 0.00 0.01 0.00 0.00 72.50 71.42 3fg0 s THR 39 CO -0.07 0.35 -0.10 0.68 -0.69 0.00 0.00 174.62 174.79 3fg0 s VAL 40 N 0.90 1.70 0.44 3.82 -7.23 0.05 -4.78 120.40 115.29 3fg0 s VAL 40 Ca -0.10 -2.17 -0.25 0.00 -1.81 0.00 0.00 61.98 57.64 3fg0 s VAL 40 Cb -0.15 -2.27 -0.08 0.00 0.56 0.00 0.00 36.38 34.44 3fg0 s VAL 40 CO 0.01 -0.43 1.39 -0.44 -0.31 0.00 0.00 175.10 175.32 3fg0 s SER 41 N -3.39 6.01 -0.40 4.85 0.01 0.12 0.55 113.70 121.45 3fg0 s SER 41 Ca 0.26 2.84 -0.03 0.00 1.31 0.00 0.00 55.95 60.33 3fg0 s SER 41 Cb 0.01 -2.65 0.11 0.00 0.21 0.00 0.00 66.02 63.70 3fg0 s SER 41 CO 0.10 -1.07 0.19 -0.70 0.41 0.00 0.00 173.24 172.16 3fg0 s GLU 42 N -2.39 2.03 0.94 12.44 2.56 -0.07 -4.63 118.70 129.58 3fg0 s GLU 42 Ca 0.60 -1.78 -0.11 0.00 0.00 0.00 0.00 54.97 53.67 3fg0 s GLU 42 Cb -0.42 -3.56 0.16 0.00 2.00 0.00 0.00 34.13 32.31 3fg0 s GLU 42 CO 0.54 -1.04 1.09 0.20 -0.56 0.00 0.00 175.26 175.49 3fg0 s GLY 43 N 1.78 1.62 0.39 -1.50 0.00 0.23 -4.42 107.32 105.43 3fg0 s GLY 43 Ca 0.07 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.95 3fg0 s GLY 43 CO -0.04 0.59 0.26 -0.51 0.00 0.00 0.00 173.10 173.40 3fg0 s THR 44 N -2.78 2.69 0.45 0.90 -4.23 -1.26 -4.82 115.64 106.59 3fg0 s THR 44 Ca 0.65 -1.53 0.19 0.00 -1.18 0.00 0.00 61.69 59.81 3fg0 s THR 44 Cb -0.20 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.85 3fg0 s THR 44 CO 0.59 -0.05 2.03 0.07 -0.54 0.00 0.00 174.62 176.71 3fg0 h LYS 45 N 1.28 0.00 -0.08 3.99 2.10 -1.94 -1.26 116.57 120.66 3fg0 h LYS 45 Ca -0.43 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.07 3fg0 h LYS 45 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3fg0 h LYS 45 CO 0.63 0.15 -0.64 0.93 -2.00 0.00 0.00 179.45 178.52 3fg0 h GLU 46 N 0.00 0.32 -0.09 0.07 3.07 -1.95 -1.05 114.58 114.95 3fg0 h GLU 46 Ca -0.00 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.36 58.63 3fg0 h GLU 46 Cb 0.30 0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3fg0 h GLU 46 CO 0.02 0.85 0.04 -0.44 -1.40 0.00 0.00 179.01 178.08 3fg0 h ASP 47 N 0.23 0.12 -0.60 1.42 3.32 -1.65 -0.25 116.42 119.00 3fg0 h ASP 47 Ca -0.01 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 56.96 3fg0 h ASP 47 Cb 1.17 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.64 3fg0 h ASP 47 CO 0.10 0.21 0.33 0.00 -1.72 0.00 0.00 179.24 178.17 3fg0 h ALA 48 N 0.91 0.78 -0.53 3.45 0.00 -1.21 -0.61 119.26 122.05 3fg0 h ALA 48 Ca 0.03 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 48 Cb 0.13 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fg0 h ALA 48 CO -0.00 0.01 0.30 1.49 0.00 0.00 0.00 179.25 181.05 3fg0 h GLU 49 N 0.63 0.58 -0.77 0.00 4.81 -1.05 -1.28 114.58 117.50 3fg0 h GLU 49 Ca 0.26 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3fg0 h GLU 49 Cb 0.13 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 3fg0 h GLU 49 CO -0.16 0.38 0.29 -0.09 -0.73 0.00 0.00 179.01 178.70 3fg0 h ARG 50 N 0.60 1.16 -0.51 1.92 2.43 -0.49 -1.00 114.38 118.49 3fg0 h ARG 50 Ca 0.22 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.10 3fg0 h ARG 50 Cb 0.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3fg0 h ARG 50 CO -0.12 0.95 0.05 0.00 -1.51 0.00 0.00 179.97 179.34 3fg0 h ALA 51 N 1.18 0.68 -0.64 2.80 0.00 -0.72 -0.92 119.26 121.64 3fg0 h ALA 51 Ca 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3fg0 h ALA 51 Cb 0.24 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3fg0 h ALA 51 CO -0.02 0.46 0.31 0.82 0.00 0.00 0.00 179.25 180.82 3fg0 h ILE 52 N 0.75 1.22 -0.51 0.00 2.04 -0.91 0.41 117.51 120.51 3fg0 h ILE 52 Ca 0.15 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.29 3fg0 h ILE 52 Cb 0.46 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 3fg0 h ILE 52 CO 0.02 0.26 -0.03 -0.07 0.00 0.00 0.00 178.15 178.33 3fg0 h LEU 53 N 0.89 0.85 -0.61 1.44 3.38 -0.98 -0.75 115.31 119.53 3fg0 h LEU 53 Ca 0.22 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fg0 h LEU 53 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3fg0 h LEU 53 CO -0.03 0.93 0.07 0.00 0.09 0.00 0.00 178.44 179.50 3fg0 h ALA 54 N 1.16 0.81 -0.71 1.53 0.00 -0.84 -0.38 119.26 120.83 3fg0 h ALA 54 Ca 0.15 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 3fg0 h ALA 54 Cb 0.52 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3fg0 h ALA 54 CO 0.03 0.60 0.26 0.00 0.00 0.00 0.00 179.25 180.14 3fg0 h ALA 55 N 1.01 0.93 -0.19 0.00 0.00 -0.64 -0.47 119.26 119.90 3fg0 h ALA 55 Ca 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3fg0 h ALA 55 Cb 0.47 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3fg0 h ALA 55 CO 0.02 0.57 0.04 -0.09 0.00 0.00 0.00 179.25 179.79 3fg0 h ARG 56 N 1.03 0.30 -0.35 0.00 9.65 -0.90 -0.81 114.38 123.30 3fg0 h ARG 56 Ca 0.23 -0.07 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 3fg0 h ARG 56 Cb 0.25 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.75 3fg0 h ARG 56 CO -0.01 0.44 0.13 -0.09 2.80 0.00 0.00 179.97 183.23 3fg0 h ARG 57 N 0.12 0.27 -0.27 0.20 2.43 -0.90 -0.76 114.38 115.46 3fg0 h ARG 57 Ca 0.06 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3fg0 h ARG 57 Cb 0.27 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 3fg0 h ARG 57 CO 0.00 0.18 0.16 0.00 -1.51 0.00 0.00 179.97 178.80 3fg0 h ALA 58 N 1.22 0.34 -0.41 2.80 0.00 -1.00 -1.33 119.26 120.89 3fg0 h ALA 58 Ca 0.16 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3fg0 h ALA 58 Cb 0.13 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3fg0 h ALA 58 CO -0.16 -0.22 0.16 0.35 0.00 0.00 0.00 179.25 179.38 3fg0 h PHE 59 N 0.33 0.28 0.00 0.00 3.57 -0.76 -2.11 116.94 118.26 3fg0 h PHE 59 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3fg0 h PHE 59 Cb -0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 3fg0 h PHE 59 CO -0.07 0.12 -0.34 0.93 -2.23 0.00 0.00 178.31 176.72 3fg0 h GLU 60 N 0.33 0.00 0.00 1.11 4.39 -0.92 -2.36 114.58 117.13 3fg0 h GLU 60 Ca 0.18 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 3fg0 h GLU 60 Cb 0.15 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3fg0 h GLU 60 CO -0.18 0.34 -0.28 0.66 -1.16 0.00 0.00 179.01 178.39 3fg0 h SER 61 N 0.00 0.00 0.00 1.42 4.64 -0.57 -3.46 113.55 115.58 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 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3fg0 h SER 61 CO 0.04 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.90 3fg0 n GLY 62 N -0.43 1.47 0.35 -0.77 0.00 -0.89 -4.91 105.19 100.01 3fg0 n GLY 62 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 3.05 0.73 0.00 1.61 4.39 -1.84 0.12 114.58 122.64 3fg0 h GLU 63 Ca 0.00 -0.04 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 3fg0 h GLU 63 Cb 0.00 -0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 3fg0 h GLU 63 CO 0.00 0.48 -2.17 1.87 -1.16 0.00 0.00 179.01 178.03 3fg0 n TRP 64 N -4.78 0.00 0.22 4.33 -0.00 -1.26 -4.01 117.44 111.94 3fg0 n TRP 64 Ca 0.24 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.82 3fg0 n TRP 64 Cb 0.59 -0.78 0.52 0.00 -0.00 0.00 0.00 31.31 31.63 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 -0.12 0.00 -0.17 5.87 4.64 -1.60 -2.44 113.55 119.72 3fg0 h SER 65 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fg0 h SER 65 Cb 1.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 3fg0 h SER 65 CO -0.11 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.10 3fg0 n GLN 66 N -3.74 1.77 -1.27 4.77 1.13 0.40 -4.90 117.38 115.55 3fg0 n GLN 66 Ca -0.01 -1.75 -0.34 0.00 -1.94 0.00 0.00 57.00 52.96 3fg0 n GLN 66 Cb 0.35 -1.35 0.11 0.00 0.11 0.00 0.00 30.24 29.47 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 -1.27 1.88 0.54 -1.09 2.56 -0.92 -4.94 118.70 115.47 3fg0 s GLU 67 Ca 0.24 1.76 -0.21 0.00 0.00 0.00 0.00 54.97 56.77 3fg0 s GLU 67 Cb 0.15 -1.80 -0.05 0.00 2.00 0.00 0.00 34.13 34.43 3fg0 s GLU 67 CO 0.22 -2.03 1.24 0.95 -0.56 0.00 0.00 175.26 175.08 3fg0 s THR 68 N -2.06 2.58 0.24 -1.70 -4.23 -1.26 -4.88 115.64 104.33 3fg0 s THR 68 Ca 0.74 0.41 -0.07 0.00 -1.18 0.00 0.00 61.69 61.59 3fg0 s THR 68 Cb -0.29 -3.19 0.22 0.00 1.34 0.00 0.00 72.50 70.59 3fg0 s THR 68 CO 0.48 -0.04 1.88 0.00 -0.54 0.00 0.00 174.62 176.40 3fg0 h ALA 69 N 1.37 1.19 -0.36 3.99 0.00 -1.92 -1.62 119.26 121.91 3fg0 h ALA 69 Ca -0.50 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.35 3fg0 h ALA 69 Cb 1.29 -0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 3fg0 h ALA 69 CO 0.57 0.66 0.08 1.49 0.00 0.00 0.00 179.25 182.05 3fg0 h GLU 70 N 1.29 0.21 -0.61 0.00 4.81 -1.91 0.31 114.58 118.67 3fg0 h GLU 70 Ca 0.33 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3fg0 h GLU 70 Cb -0.04 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3fg0 h GLU 70 CO -0.06 0.14 0.11 1.15 -0.73 0.00 0.00 179.01 179.62 3fg0 h THR 71 N 0.21 1.26 -0.95 0.32 2.02 -1.86 -1.61 112.91 112.30 3fg0 h THR 71 Ca 0.17 -0.98 0.04 0.00 0.77 0.00 0.00 66.41 66.42 3fg0 h THR 71 Cb 0.19 0.71 -0.06 0.00 -1.74 0.00 0.00 68.15 67.25 3fg0 h THR 71 CO -0.21 0.36 0.61 0.03 0.37 0.00 0.00 175.52 176.68 3fg0 h ARG 72 N 0.91 1.14 -0.78 6.66 3.08 -1.00 -1.45 114.38 122.94 3fg0 h ARG 72 Ca 0.19 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3fg0 h ARG 72 Cb 0.40 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 3fg0 h ARG 72 CO 0.01 0.75 0.40 0.78 -1.07 0.00 0.00 179.97 180.84 3fg0 h GLY 73 N 1.18 1.18 1.26 0.04 0.00 -0.57 -1.26 103.07 104.90 3fg0 h GLY 73 Ca 0.38 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.11 3fg0 h GLY 73 CO -0.13 0.54 0.24 0.50 0.00 0.00 0.00 176.54 177.68 3fg0 h LYS 74 N 1.09 0.95 -0.18 4.80 1.57 -0.43 0.30 116.57 124.67 3fg0 h LYS 74 Ca 0.27 -0.16 -0.17 0.00 -1.87 0.00 0.00 60.65 58.72 3fg0 h LYS 74 Cb 0.08 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 3fg0 h LYS 74 CO -0.04 0.79 -0.59 0.87 -0.57 0.00 0.00 179.45 179.91 3fg0 h LYS 75 N 0.93 0.58 -0.72 3.15 1.57 -0.85 -1.37 116.57 119.86 3fg0 h LYS 75 Ca 0.21 -0.38 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 3fg0 h LYS 75 Cb 0.21 0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 3fg0 h LYS 75 CO -0.02 1.00 0.27 0.28 -0.57 0.00 0.00 179.45 180.42 3fg0 h VAL 76 N 0.44 1.25 -0.96 0.50 2.07 -0.89 -2.14 116.25 116.52 3fg0 h VAL 76 Ca 0.00 -0.80 0.03 0.00 0.82 0.00 0.00 66.70 66.74 3fg0 h VAL 76 Cb 1.14 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.29 3fg0 h VAL 76 CO 0.11 0.32 0.63 -0.09 0.02 0.00 0.00 177.57 178.56 3fg0 h ARG 77 N 1.03 1.20 -0.41 1.57 2.43 -0.74 -1.62 114.38 117.85 3fg0 h ARG 77 Ca 0.24 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 3fg0 h ARG 77 Cb 0.23 -0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 3fg0 h ARG 77 CO -0.02 0.79 0.09 0.00 -1.51 0.00 0.00 179.97 179.33 3fg0 h ALA 78 N 1.38 1.40 -0.24 2.80 0.00 -0.64 -0.25 119.26 123.72 3fg0 h ALA 78 Ca 0.37 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 3fg0 h ALA 78 Cb -0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3fg0 h ALA 78 CO -0.11 0.43 0.02 0.82 0.00 0.00 0.00 179.25 180.41 3fg0 h ILE 79 N 0.59 1.24 -0.68 0.00 2.04 -0.89 -2.00 117.51 117.81 3fg0 h ILE 79 Ca 0.14 -0.85 0.10 0.00 1.00 0.00 0.00 64.86 65.25 3fg0 h ILE 79 Cb 0.24 1.33 -0.07 0.00 -0.74 0.00 0.00 36.82 37.58 3fg0 h ILE 79 CO -0.00 0.27 0.31 0.00 0.00 0.00 0.00 178.15 178.72 3fg0 h ALA 80 N 0.82 0.92 -0.34 1.87 0.00 -0.57 -1.17 119.26 120.80 3fg0 h ALA 80 Ca 0.07 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 80 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3fg0 h ALA 80 CO 0.01 -0.11 -0.07 -0.44 0.00 0.00 0.00 179.25 178.63 3fg0 h ASP 81 N 0.52 0.55 0.09 0.00 3.32 -0.88 -2.55 116.42 117.46 3fg0 h ASP 81 Ca 0.34 -0.13 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 3fg0 h ASP 81 Cb 0.39 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3fg0 h ASP 81 CO -0.29 0.67 -0.40 0.11 -1.72 0.00 0.00 179.24 177.61 3fg0 h LYS 82 N 0.53 0.41 -0.34 3.56 1.57 -0.49 -0.51 116.57 121.29 3fg0 h LYS 82 Ca 0.10 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3fg0 h LYS 82 Cb 0.45 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 3fg0 h LYS 82 CO 0.02 0.74 0.18 0.82 -0.57 0.00 0.00 179.45 180.64 3fg0 h ILE 83 N 0.34 1.15 -0.50 1.86 1.08 -0.98 -0.44 117.51 120.02 3fg0 h ILE 83 Ca 0.03 -0.41 -0.12 0.00 -0.39 0.00 0.00 64.86 63.97 3fg0 h ILE 83 Cb 0.85 0.80 -0.02 0.00 -3.07 0.00 0.00 36.82 35.38 3fg0 h ILE 83 CO 0.07 0.16 -0.14 0.50 -0.69 0.00 0.00 178.15 178.04 3fg0 h LYS 84 N 0.43 0.99 -0.64 2.37 3.64 -1.27 -1.68 116.57 120.41 3fg0 h LYS 84 Ca 0.12 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.08 3fg0 h LYS 84 Cb 0.09 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 3fg0 h LYS 84 CO -0.02 1.06 0.28 1.49 -2.27 0.00 0.00 179.45 180.00 3fg0 h GLU 85 N 0.85 0.92 -0.56 1.90 4.81 -0.82 -2.76 114.58 118.91 3fg0 h GLU 85 Ca 0.13 -0.13 -0.17 0.00 -0.13 0.00 0.00 59.36 59.05 3fg0 h GLU 85 Cb 0.71 -0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.83 3fg0 h GLU 85 CO 0.05 0.73 0.16 0.72 -0.73 0.00 0.00 179.01 179.94 3fg0 n HIS 86 N -4.33 1.86 -0.12 0.92 8.25 -0.20 -4.74 115.22 116.87 3fg0 n HIS 86 Ca 0.06 -1.23 -0.05 0.00 -0.26 0.00 0.00 57.72 56.24 3fg0 n HIS 86 Cb 0.15 -0.57 0.02 0.00 1.12 0.00 0.00 29.99 30.71 3fg0 n HIS 86 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3fg0 h ARG 87 N 2.08 0.08 0.07 -0.41 2.43 -1.00 0.06 114.38 117.70 3fg0 h ARG 87 Ca 0.21 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3fg0 h ARG 87 Cb 2.02 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.55 3fg0 h ARG 87 CO 0.57 0.05 -0.03 1.49 -1.51 0.00 0.00 179.97 180.53 3fg0 h GLU 88 N 0.08 -0.09 -0.61 0.20 4.81 -1.85 -0.39 114.58 116.74 3fg0 h GLU 88 Ca 0.19 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3fg0 h GLU 88 Cb 0.28 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 3fg0 h GLU 88 CO -0.34 0.03 0.16 0.00 -0.73 0.00 0.00 179.01 178.13 3fg0 h ALA 89 N 0.73 0.80 -0.67 2.92 0.00 -1.87 -1.53 119.26 119.64 3fg0 h ALA 89 Ca -0.01 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3fg0 h ALA 89 Cb 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3fg0 h ALA 89 CO 0.02 0.50 0.10 -0.07 0.00 0.00 0.00 179.25 179.80 3fg0 h LEU 90 N 0.88 1.08 -0.52 0.00 3.38 -0.88 -1.44 115.31 117.82 3fg0 h LEU 90 Ca 0.19 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 3fg0 h LEU 90 Cb 0.34 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3fg0 h LEU 90 CO 0.00 1.07 0.10 0.00 0.09 0.00 0.00 178.44 179.70 3fg0 h ALA 91 N 1.05 0.68 -0.60 1.53 0.00 -0.83 -1.08 119.26 120.02 3fg0 h ALA 91 Ca 0.20 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3fg0 h ALA 91 Cb 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3fg0 h ALA 91 CO 0.01 0.40 0.09 0.00 0.00 0.00 0.00 179.25 179.75 3fg0 h ARG 92 N 0.73 0.97 -0.43 0.00 3.08 -1.17 -1.84 114.38 115.72 3fg0 h ARG 92 Ca 0.16 -0.25 -0.12 0.00 0.07 0.00 0.00 59.98 59.84 3fg0 h ARG 92 Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3fg0 h ARG 92 CO 0.01 0.91 -0.22 1.25 -1.07 0.00 0.00 179.97 180.85 3fg0 h LEU 93 N 0.92 0.89 -0.63 3.04 5.85 -0.99 -1.00 115.31 123.39 3fg0 h LEU 93 Ca 0.18 -0.33 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 3fg0 h LEU 93 Cb 0.42 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3fg0 h LEU 93 CO 0.01 1.08 0.17 -0.08 -0.34 0.00 0.00 178.44 179.28 3fg0 h GLU 94 N 0.76 1.00 -0.34 1.25 4.57 -0.96 -1.12 114.58 119.73 3fg0 h GLU 94 Ca 0.10 -0.23 -0.05 0.00 -1.18 0.00 0.00 59.36 58.01 3fg0 h GLU 94 Cb 0.76 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 3fg0 h GLU 94 CO 0.06 0.90 0.04 1.15 -1.18 0.00 0.00 179.01 179.98 3fg0 h THR 95 N 0.93 1.24 -0.93 0.32 2.02 -1.14 0.56 112.91 115.91 3fg0 h THR 95 Ca 0.20 -0.88 0.05 0.00 0.77 0.00 0.00 66.41 66.56 3fg0 h THR 95 Cb 0.33 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.83 3fg0 h THR 95 CO -0.00 0.29 0.60 0.25 0.37 0.00 0.00 175.52 177.03 3fg0 h LEU 96 N 0.41 0.97 0.14 2.58 5.85 -1.04 0.96 115.31 125.17 3fg0 h LEU 96 Ca 0.10 0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.51 3fg0 h LEU 96 Cb 0.39 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3fg0 h LEU 96 CO 0.01 0.63 -1.59 -0.78 -0.34 0.00 0.00 178.44 176.37 3fg0 h ASP 97 N 1.11 0.46 0.00 1.25 3.58 -1.06 -3.40 116.42 118.37 3fg0 h ASP 97 Ca 0.39 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 57.19 3fg0 h ASP 97 Cb 0.11 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.01 3fg0 h ASP 97 CO -0.16 1.54 -0.99 0.35 -2.88 0.00 0.00 179.24 177.11 3fg0 n THR 98 N -3.49 0.00 0.00 2.25 -2.24 0.17 -4.58 114.28 106.39 3fg0 n THR 98 Ca -0.19 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3fg0 n THR 98 Cb 1.05 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.96 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 1.49 2.43 3.76 3.38 0.00 0.33 -4.73 105.19 111.84 3fg0 n GLY 99 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.29 2.03 0.65 1.61 -2.85 -1.26 -4.21 119.74 115.42 3fg0 s LYS 100 Ca 0.00 1.05 -0.17 0.00 -1.00 0.00 0.00 55.97 55.84 3fg0 s LYS 100 Cb 0.00 -1.88 -0.00 0.00 -2.06 0.00 0.00 37.83 33.89 3fg0 s LYS 100 CO 0.00 -1.76 1.22 0.95 0.10 0.00 0.00 175.35 175.85 3fg0 s THR 101 N -2.93 2.46 0.22 3.79 -4.23 -1.26 -4.50 115.64 109.19 3fg0 s THR 101 Ca 0.61 0.26 -0.08 0.00 -1.18 0.00 0.00 61.69 61.30 3fg0 s THR 101 Cb -0.17 -2.98 0.20 0.00 1.34 0.00 0.00 72.50 70.88 3fg0 s THR 101 CO 0.56 -0.09 1.88 0.25 -0.54 0.00 0.00 174.62 176.69 3fg0 h LEU 102 N 0.37 1.01 -1.29 4.79 5.85 -1.60 -0.44 115.31 124.01 3fg0 h LEU 102 Ca -0.49 -0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.12 3fg0 h LEU 102 Cb 1.30 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 3fg0 h LEU 102 CO 0.53 0.76 -0.16 1.05 -0.34 0.00 0.00 178.44 180.28 3fg0 h GLU 103 N 1.17 0.28 -0.78 1.25 4.11 -1.91 0.95 114.58 119.65 3fg0 h GLU 103 Ca 0.31 -0.07 -0.05 0.00 0.07 0.00 0.00 59.36 59.62 3fg0 h GLU 103 Cb -0.08 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.10 3fg0 h GLU 103 CO -0.06 0.45 0.30 0.93 0.07 0.00 0.00 179.01 180.69 3fg0 h GLU 104 N 0.27 1.17 -0.47 1.06 5.08 -1.60 -2.19 114.58 117.90 3fg0 h GLU 104 Ca 0.05 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 3fg0 h GLU 104 Cb 0.45 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3fg0 h GLU 104 CO 0.03 0.96 -0.19 0.77 -1.00 0.00 0.00 179.01 179.58 3fg0 h SER 105 N 1.14 0.98 -0.75 1.42 0.02 0.03 -1.29 113.55 115.10 3fg0 h SER 105 Ca 0.26 -0.39 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 3fg0 h SER 105 Cb 0.24 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 3fg0 h SER 105 CO -0.02 1.15 0.50 1.88 -1.14 0.00 0.00 176.83 179.20 3fg0 h TYR 106 N 0.81 0.95 -0.68 3.45 0.05 -0.74 -0.83 116.97 119.97 3fg0 h TYR 106 Ca 0.11 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.93 3fg0 h TYR 106 Cb 0.76 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 3fg0 h TYR 106 CO 0.05 0.60 0.43 0.00 -1.05 0.00 0.00 178.16 178.19 3fg0 h ALA 107 N 1.28 0.88 -0.19 3.88 0.00 -1.23 -1.48 119.26 122.40 3fg0 h ALA 107 Ca 0.28 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3fg0 h ALA 107 Cb -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 3fg0 h ALA 107 CO -0.06 0.22 0.05 -0.44 0.00 0.00 0.00 179.25 179.02 3fg0 h ASP 108 N 0.86 0.04 -0.57 0.00 5.19 -0.64 -1.54 116.42 119.76 3fg0 h ASP 108 Ca 0.27 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 3fg0 h ASP 108 Cb -0.02 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.49 3fg0 h ASP 108 CO -0.09 0.05 0.31 0.24 -3.12 0.00 0.00 179.24 176.63 3fg0 h MET 109 N 0.13 0.83 -0.44 3.56 2.86 -0.70 0.16 114.93 121.34 3fg0 h MET 109 Ca 0.08 -0.09 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 3fg0 h MET 109 Cb 0.07 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 3fg0 h MET 109 CO -0.10 0.63 -0.04 -0.44 1.06 0.00 0.00 176.91 178.01 3fg0 h ASP 110 N 0.84 0.79 -0.45 1.22 3.32 -1.11 -1.59 116.42 119.43 3fg0 h ASP 110 Ca 0.21 -0.33 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fg0 h ASP 110 Cb 0.05 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3fg0 h ASP 110 CO -0.03 0.94 0.24 0.44 -1.72 0.00 0.00 179.24 179.11 3fg0 h ASP 111 N 0.63 0.58 -0.60 6.45 3.32 -0.30 -2.60 116.42 123.90 3fg0 h ASP 111 Ca 0.12 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3fg0 h ASP 111 Cb 0.56 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3fg0 h ASP 111 CO 0.03 0.51 0.38 0.40 -1.72 0.00 0.00 179.24 178.85 3fg0 h ILE 112 N 0.60 1.17 -0.44 0.35 2.04 -0.59 0.13 117.51 120.75 3fg0 h ILE 112 Ca 0.16 -0.34 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3fg0 h ILE 112 Cb 0.07 0.31 -0.04 0.00 -0.74 0.00 0.00 36.82 36.42 3fg0 h ILE 112 CO -0.02 0.17 0.20 -0.74 0.00 0.00 0.00 178.15 177.75 3fg0 h HIS 113 N 0.82 0.36 -0.15 1.37 2.76 -1.22 -1.72 115.15 117.36 3fg0 h HIS 113 Ca 0.22 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.32 3fg0 h HIS 113 Cb -0.06 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 28.79 3fg0 h HIS 113 CO -0.03 0.16 -0.30 -0.91 -1.30 0.00 0.00 177.93 175.56 3fg0 h ASN 114 N 0.40 0.30 0.32 3.26 2.35 -1.02 -0.78 115.58 120.40 3fg0 h ASN 114 Ca 0.20 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 3fg0 h ASN 114 Cb 0.14 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3fg0 h ASN 114 CO -0.17 0.60 -0.15 0.58 -1.65 0.00 0.00 177.43 176.64 3fg0 h VAL 115 N 0.26 0.71 -0.92 2.81 2.07 -0.42 0.19 116.25 120.95 3fg0 h VAL 115 Ca 0.04 -0.24 0.03 0.00 0.82 0.00 0.00 66.70 67.35 3fg0 h VAL 115 Cb 0.67 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 3fg0 h VAL 115 CO 0.05 0.05 0.60 -0.26 0.02 0.00 0.00 177.57 178.03 3fg0 h PHE 116 N -0.55 1.13 -0.58 1.57 0.04 -1.19 -2.28 116.94 115.08 3fg0 h PHE 116 Ca -0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3fg0 h PHE 116 Cb 0.41 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 38.15 3fg0 h PHE 116 CO -0.02 0.67 0.31 0.52 -0.60 0.00 0.00 178.31 179.18 3fg0 h MET 117 N 1.18 0.82 0.09 1.51 2.86 -1.03 -0.46 114.93 119.90 3fg0 h MET 117 Ca 0.36 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.90 3fg0 h MET 117 Cb -0.03 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.48 3fg0 h MET 117 CO -0.11 0.64 -0.04 -0.92 1.06 0.00 0.00 176.91 177.53 3fg0 h TYR 118 N 0.79 -0.11 -0.07 -0.22 3.20 -0.69 -1.89 116.97 117.98 3fg0 h TYR 118 Ca 0.20 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.95 3fg0 h TYR 118 Cb 0.06 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 3fg0 h TYR 118 CO -0.01 -0.06 -0.50 0.74 -1.64 0.00 0.00 178.16 176.68 3fg0 h PHE 119 N -0.12 0.23 -0.54 -3.82 0.04 -1.31 -1.63 116.94 109.79 3fg0 h PHE 119 Ca -0.01 -0.08 0.06 0.00 2.80 0.00 0.00 57.97 60.74 3fg0 h PHE 119 Cb 0.10 -0.05 -0.05 0.00 2.20 0.00 0.00 35.95 38.14 3fg0 h PHE 119 CO -0.07 0.66 0.24 0.00 -0.60 0.00 0.00 178.31 178.54 3fg0 h ALA 120 N 1.33 0.69 0.00 2.45 0.00 -0.91 -1.51 119.26 121.31 3fg0 h ALA 120 Ca 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 120 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3fg0 h ALA 120 CO 0.08 -0.13 -0.19 0.78 0.00 0.00 0.00 179.25 179.79 3fg0 h GLY 121 N 0.46 0.00 1.42 0.00 0.00 -0.84 -3.10 103.07 101.01 3fg0 h GLY 121 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 3fg0 h GLY 121 CO -0.21 0.00 -0.76 -2.00 0.00 0.00 0.00 176.54 173.57 3fg0 h LEU 122 N 0.00 0.00 -0.73 3.11 5.85 -0.83 -3.41 115.31 119.30 3fg0 h LEU 122 Ca -0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3fg0 h LEU 122 Cb 0.69 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.60 3fg0 h LEU 122 CO 0.02 0.22 0.04 0.00 -0.34 0.00 0.00 178.44 178.39 3fg0 h ALA 123 N 1.78 0.80 -0.51 1.25 0.00 -1.21 -2.44 119.26 118.94 3fg0 h ALA 123 Ca -0.04 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3fg0 h ALA 123 Cb 1.20 0.37 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 3fg0 h ALA 123 CO 0.02 -0.41 0.04 -0.40 0.00 0.00 0.00 179.25 178.50 3fg0 n ASP 124 N -5.30 5.05 -0.29 0.00 5.75 -1.26 -4.63 116.55 115.87 3fg0 n ASP 124 Ca 0.13 -3.02 0.12 0.00 -0.01 0.00 0.00 54.79 52.01 3fg0 n ASP 124 Cb 0.46 -0.66 0.15 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.16 0.80 -3.15 0.11 4.76 -0.92 -4.86 118.16 115.06 3fg0 n LYS 125 Ca 0.28 -0.59 0.04 0.00 -2.87 0.00 0.00 58.31 55.17 3fg0 n LYS 125 Cb 1.14 -1.49 -0.00 0.00 -1.84 0.00 0.00 35.03 32.84 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 -2.60 -1.48 0.00 4.39 2.15 -1.26 -5.02 116.67 112.85 3fg0 s ASP 126 Ca 0.19 0.31 0.23 0.00 0.43 0.00 0.00 52.55 53.71 3fg0 s ASP 126 Cb 0.18 2.00 0.47 0.00 -0.30 0.00 0.00 42.92 45.26 3fg0 s ASP 126 CO 0.60 -0.27 1.43 0.61 -0.17 0.00 0.00 175.17 177.37 3fg0 n GLY 127 N 5.40 1.89 0.00 2.66 0.00 -1.26 -4.90 105.19 108.98 3fg0 n GLY 127 Ca 0.04 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.53 0.61 3.19 -0.02 0.00 -1.26 -1.74 105.19 107.51 3fg0 n GLY 128 Ca 0.20 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.59 0.89 -0.11 1.61 8.01 -0.17 -4.98 118.70 123.37 3fg0 s GLU 129 Ca 0.00 -1.32 -0.05 0.00 0.01 0.00 0.00 54.97 53.61 3fg0 s GLU 129 Cb 0.00 -0.38 -0.04 0.00 -4.31 0.00 0.00 34.13 29.40 3fg0 s GLU 129 CO 0.00 0.03 0.08 -1.64 0.01 0.00 0.00 175.26 173.74 3fg0 s MET 130 N -3.57 3.26 -0.05 1.61 -1.94 -1.26 -0.78 119.30 116.58 3fg0 s MET 130 Ca 0.12 -0.26 0.04 0.00 -1.71 0.00 0.00 55.69 53.88 3fg0 s MET 130 Cb 0.03 -3.02 -0.02 0.00 2.01 0.00 0.00 34.83 33.82 3fg0 s MET 130 CO -0.02 0.73 -0.15 0.42 -0.01 0.00 0.00 175.02 175.99 3fg0 s ILE 131 N -0.92 2.99 -0.89 2.53 -1.09 0.00 -4.94 121.20 118.88 3fg0 s ILE 131 Ca 0.14 -0.75 -0.25 0.00 -2.23 0.00 0.00 60.65 57.56 3fg0 s ILE 131 Cb -0.12 -2.17 0.04 0.00 -1.58 0.00 0.00 42.46 38.64 3fg0 s ILE 131 CO 0.03 0.59 1.39 -1.81 -1.23 0.00 0.00 174.94 173.91 3fg0 s ASP 132 N -0.68 6.32 0.29 3.58 1.01 -1.26 -4.18 116.67 121.75 3fg0 s ASP 132 Ca 0.10 -0.99 -0.29 0.00 0.71 0.00 0.00 52.55 52.08 3fg0 s ASP 132 Cb -0.11 -2.57 -0.10 0.00 1.01 0.00 0.00 42.92 41.15 3fg0 s ASP 132 CO 0.01 -1.68 1.43 -0.55 0.21 0.00 0.00 175.17 174.59 3fg0 s SER 133 N 4.54 6.60 0.00 0.27 0.15 -1.26 -4.90 113.70 119.10 3fg0 s SER 133 Ca 0.42 2.76 0.30 0.00 0.70 0.00 0.00 55.95 60.14 3fg0 s SER 133 Cb -0.04 -2.64 1.57 0.00 -1.71 0.00 0.00 66.02 63.21 3fg0 s SER 133 CO 0.01 -0.71 2.06 -0.81 1.20 0.00 0.00 173.24 174.99 3fg0 n PRO 134 N 1.66 0.78 -3.69 5.44 -0.04 -1.26 -4.71 135.00 133.18 3fg0 n PRO 134 Ca 0.04 -0.11 -0.37 0.00 -0.04 0.00 0.00 63.50 63.02 3fg0 n PRO 134 Cb 0.40 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.25 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 -2.29 4.88 0.61 0.52 1.01 -1.26 -5.08 121.20 119.58 3fg0 s ILE 135 Ca 0.37 0.02 -0.19 0.00 0.00 0.00 0.00 60.65 60.84 3fg0 s ILE 135 Cb 0.21 -3.30 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 3fg0 s ILE 135 CO 0.42 0.31 1.31 -2.84 0.00 0.00 0.00 174.94 174.14 3fg0 s PRO 136 N 1.54 2.80 -1.33 2.79 0.02 -1.26 -3.15 135.00 136.41 3fg0 s PRO 136 Ca 0.06 2.10 -0.06 0.00 0.02 0.00 0.00 61.00 63.13 3fg0 s PRO 136 Cb -0.15 -2.00 0.02 0.00 0.02 0.00 0.00 34.50 32.39 3fg0 s PRO 136 CO 0.07 -1.41 1.01 -0.25 -0.33 0.00 0.00 177.00 176.09 3fg0 n ASP 137 N -1.56 -3.91 -4.01 2.53 8.00 -1.26 -4.95 116.55 111.39 3fg0 n ASP 137 Ca 0.14 -0.66 -0.10 0.00 0.71 0.00 0.00 54.79 54.88 3fg0 n ASP 137 Cb 0.47 -4.69 -0.11 0.00 -0.02 0.00 0.00 41.12 36.77 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 -3.39 0.26 -0.11 -3.53 -4.23 -1.19 -1.12 115.64 102.33 3fg0 s THR 138 Ca 0.33 -0.97 0.01 0.00 -1.18 0.00 0.00 61.69 59.87 3fg0 s THR 138 Cb -0.15 -0.39 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 3fg0 s THR 138 CO 0.76 -0.46 -0.14 -0.70 -0.54 0.00 0.00 174.62 173.55 3fg0 s GLU 139 N -1.51 3.21 -0.08 3.99 2.12 0.34 -4.80 118.70 121.96 3fg0 s GLU 139 Ca -0.14 -0.69 0.03 0.00 0.36 0.00 0.00 54.97 54.53 3fg0 s GLU 139 Cb -0.10 -2.57 0.01 0.00 0.26 0.00 0.00 34.13 31.73 3fg0 s GLU 139 CO -0.01 0.29 -0.17 0.45 -0.54 0.00 0.00 175.26 175.28 3fg0 s SER 140 N 0.15 2.36 0.02 -1.70 0.15 -1.26 -0.74 113.70 112.68 3fg0 s SER 140 Ca -0.07 -0.41 -0.02 0.00 0.70 0.00 0.00 55.95 56.15 3fg0 s SER 140 Cb -0.15 -1.08 -0.02 0.00 -1.71 0.00 0.00 66.02 63.06 3fg0 s SER 140 CO 0.05 0.08 0.01 -1.59 1.20 0.00 0.00 173.24 172.99 3fg0 s LYS 141 N 0.59 0.39 -0.26 5.44 -2.85 -0.72 -0.82 119.74 121.51 3fg0 s LYS 141 Ca -0.15 -0.64 -0.04 0.00 -1.00 0.00 0.00 55.97 54.14 3fg0 s LYS 141 Cb -0.16 0.15 0.01 0.00 -2.06 0.00 0.00 37.83 35.76 3fg0 s LYS 141 CO 0.05 -0.08 -0.01 0.42 0.10 0.00 0.00 175.35 175.84 3fg0 s ILE 142 N -1.76 3.37 -0.17 3.79 -1.09 0.04 -0.96 121.20 124.44 3fg0 s ILE 142 Ca -0.13 -0.79 -0.07 0.00 -2.23 0.00 0.00 60.65 57.43 3fg0 s ILE 142 Cb -0.07 -2.69 -0.04 0.00 -1.58 0.00 0.00 42.46 38.08 3fg0 s ILE 142 CO -0.02 0.20 0.06 0.68 -1.23 0.00 0.00 174.94 174.63 3fg0 s VAL 143 N 1.42 4.77 -0.31 2.92 -7.23 0.30 -1.00 120.40 121.27 3fg0 s VAL 143 Ca 0.02 -0.05 -0.16 0.00 -1.81 0.00 0.00 61.98 59.98 3fg0 s VAL 143 Cb -0.16 -3.13 -0.02 0.00 0.56 0.00 0.00 36.38 33.63 3fg0 s VAL 143 CO -0.02 0.49 0.43 -0.54 -0.31 0.00 0.00 175.10 175.15 3fg0 s LYS 144 N 0.11 3.80 0.26 4.82 -0.14 -0.71 -1.22 119.74 126.65 3fg0 s LYS 144 Ca 0.05 -0.10 0.09 0.00 -1.36 0.00 0.00 55.97 54.65 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 0.01 -0.46 0.04 -1.21 -0.76 0.00 0.00 175.35 172.98 3fg0 s GLU 145 N 2.18 2.45 0.40 1.68 2.02 -0.09 -4.86 118.70 122.49 3fg0 s GLU 145 Ca 0.16 -1.31 -0.27 0.00 0.02 0.00 0.00 54.97 53.57 3fg0 s GLU 145 Cb -0.16 -2.27 -0.10 0.00 0.10 0.00 0.00 34.13 31.70 3fg0 s GLU 145 CO 0.11 0.38 1.48 -1.25 0.02 0.00 0.00 175.26 176.00 3fg0 s PRO 146 N -3.66 4.00 0.49 0.39 0.04 -1.26 0.03 135.00 135.03 3fg0 s PRO 146 Ca 0.31 2.55 0.14 0.00 0.04 0.00 0.00 61.00 64.05 3fg0 s PRO 146 Cb -0.07 -2.89 1.15 0.00 0.04 0.00 0.00 34.50 32.73 3fg0 s PRO 146 CO 0.21 -0.62 2.11 -0.24 0.04 0.00 0.00 177.00 178.50 3fg0 h VAL 147 N 2.82 1.01 0.00 -0.36 3.04 -1.40 -3.41 116.25 117.95 3fg0 h VAL 147 Ca -0.51 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3fg0 h VAL 147 Cb 1.25 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 3fg0 h VAL 147 CO 0.63 0.03 0.00 0.61 -1.01 0.00 0.00 177.57 177.84 3fg0 n GLY 148 N -1.53 0.45 3.66 3.17 0.00 -1.26 -4.85 105.19 104.84 3fg0 n GLY 148 Ca 0.00 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.58 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 5.10 -0.03 1.61 1.01 -1.26 -2.37 120.40 124.47 3fg0 s VAL 149 Ca 0.00 0.96 0.07 0.00 0.00 0.00 0.00 61.98 63.01 3fg0 s VAL 149 Cb 0.00 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 3fg0 s VAL 149 CO 0.00 0.17 -0.23 0.68 0.00 0.00 0.00 175.10 175.72 3fg0 s VAL 150 N 1.65 1.87 -0.06 2.92 -7.23 -0.43 -0.32 120.40 118.81 3fg0 s VAL 150 Ca 0.24 -1.00 0.01 0.00 -1.81 0.00 0.00 61.98 59.42 3fg0 s VAL 150 Cb -0.15 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.20 3fg0 s VAL 150 CO 0.10 0.53 -0.05 0.42 -0.31 0.00 0.00 175.10 175.78 3fg0 s THR 151 N -0.43 3.87 -0.07 5.32 -4.23 -0.32 -1.24 115.64 118.54 3fg0 s THR 151 Ca 0.06 -0.46 -0.00 0.00 -1.18 0.00 0.00 61.69 60.10 3fg0 s THR 151 Cb -0.10 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 71.15 3fg0 s THR 151 CO 0.00 0.56 -0.03 -1.10 -0.54 0.00 0.00 174.62 173.52 3fg0 s GLN 152 N -0.94 0.84 -0.10 3.99 -0.21 0.25 -0.66 119.66 122.83 3fg0 s GLN 152 Ca 0.14 -0.04 0.02 0.00 0.02 0.00 0.00 55.36 55.50 3fg0 s GLN 152 Cb -0.11 -1.01 0.01 0.00 1.00 0.00 0.00 33.01 32.91 3fg0 s GLN 152 CO 0.03 -0.20 -0.15 0.42 -2.12 0.00 0.00 175.29 173.27 3fg0 s ILE 153 N 1.48 1.46 0.30 1.08 1.01 -0.11 -0.79 121.20 125.64 3fg0 s ILE 153 Ca -0.02 -0.63 0.11 0.00 0.00 0.00 0.00 60.65 60.11 3fg0 s ILE 153 Cb -0.13 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.95 3fg0 s ILE 153 CO -0.03 0.43 -0.15 0.42 0.00 0.00 0.00 174.94 175.61 3fg0 s THR 154 N 0.90 2.49 0.56 2.92 -4.23 -1.06 -2.01 115.64 115.22 3fg0 s THR 154 Ca -0.09 -2.31 0.08 0.00 -1.18 0.00 0.00 61.69 58.20 3fg0 s THR 154 Cb -0.15 -2.44 0.10 0.00 1.34 0.00 0.00 72.50 71.34 3fg0 s THR 154 CO -0.00 -0.34 0.78 -0.81 -0.54 0.00 0.00 174.62 173.71 3fg0 n PRO 155 N -0.70 0.56 0.00 3.99 -0.04 -1.21 -2.41 135.00 135.20 3fg0 n PRO 155 Ca -0.05 -2.93 0.13 0.00 -0.04 0.00 0.00 63.50 60.60 3fg0 n PRO 155 Cb 0.61 -0.27 0.31 0.00 -0.04 0.00 0.00 33.50 34.11 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 -2.26 0.00 0.07 0.54 4.27 -1.26 -4.08 117.44 114.72 3fg0 n TRP 156 Ca 0.16 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.56 3fg0 n TRP 156 Cb 0.57 -0.11 -0.15 0.00 -1.36 0.00 0.00 31.31 30.26 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 1.26 0.56 -2.08 -0.67 -0.00 -1.96 -3.39 115.58 109.29 3fg0 h ASN 157 Ca 0.00 -0.95 -0.57 0.00 -0.00 0.00 0.00 56.30 54.79 3fg0 h ASN 157 Cb 0.54 -0.18 -0.40 0.00 -0.00 0.00 0.00 38.32 38.27 3fg0 h ASN 157 CO 0.00 1.47 -0.93 -1.22 -0.00 0.00 0.00 177.43 176.75 3fg0 n TYR 158 N -4.03 1.20 0.05 4.14 4.02 -1.26 -5.02 117.16 116.25 3fg0 n TYR 158 Ca -0.15 -3.80 -0.11 0.00 -0.01 0.00 0.00 57.90 53.83 3fg0 n TYR 158 Cb 0.89 -0.43 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 3fg0 n TYR 158 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3fg0 h PRO 159 N 3.90 -0.40 -0.11 -0.72 0.11 -1.77 -0.22 132.00 132.79 3fg0 h PRO 159 Ca 0.12 0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 3fg0 h PRO 159 Cb 0.80 0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 3fg0 h PRO 159 CO 0.60 -0.27 -0.65 1.25 -0.21 0.00 0.00 178.00 178.73 3fg0 h LEU 160 N -0.42 0.49 0.14 2.35 5.85 -1.91 -1.33 115.31 120.47 3fg0 h LEU 160 Ca 0.07 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3fg0 h LEU 160 Cb 0.52 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.41 3fg0 h LEU 160 CO -0.27 1.00 -0.07 0.25 -0.34 0.00 0.00 178.44 179.02 3fg0 h LEU 161 N 0.31 -0.16 -1.07 2.25 5.85 -1.85 0.19 115.31 120.83 3fg0 h LEU 161 Ca -0.01 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3fg0 h LEU 161 Cb 1.20 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3fg0 h LEU 161 CO 0.11 -0.01 0.32 1.56 -0.34 0.00 0.00 178.44 180.08 3fg0 h GLN 162 N -0.31 0.97 -0.78 1.25 4.20 -1.02 -1.76 115.11 117.66 3fg0 h GLN 162 Ca -0.02 -0.14 0.03 0.00 0.06 0.00 0.00 58.65 58.59 3fg0 h GLN 162 Cb 0.25 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.80 3fg0 h GLN 162 CO 0.03 0.76 0.50 0.00 -0.67 0.00 0.00 178.83 179.45 3fg0 h ALA 163 N 1.38 1.03 -0.73 3.87 0.00 -0.95 -2.91 119.26 120.95 3fg0 h ALA 163 Ca 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 3fg0 h ALA 163 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3fg0 h ALA 163 CO -0.03 0.30 0.25 0.66 0.00 0.00 0.00 179.25 180.44 3fg0 h SER 164 N 0.97 1.03 -0.04 0.00 4.64 -0.08 0.96 113.55 121.03 3fg0 h SER 164 Ca 0.31 -0.18 0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3fg0 h SER 164 Cb 0.02 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.84 3fg0 h SER 164 CO -0.11 0.94 0.04 -0.50 -0.87 0.00 0.00 176.83 176.33 3fg0 h TRP 165 N 1.07 0.00 0.01 4.77 4.06 -1.25 -1.71 115.95 122.91 3fg0 h TRP 165 Ca 0.24 0.00 -0.41 0.00 2.06 0.00 0.00 58.89 60.78 3fg0 h TRP 165 Cb 0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.36 3fg0 h TRP 165 CO 0.02 0.00 -2.36 1.63 -3.56 0.00 0.00 178.44 174.17 3fg0 n LYS 166 N -4.02 0.62 -0.12 0.49 5.02 -0.94 -4.46 118.16 114.75 3fg0 n LYS 166 Ca -0.02 0.26 -0.09 0.00 -2.02 0.00 0.00 58.31 56.43 3fg0 n LYS 166 Cb 0.13 -1.54 -0.01 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.62 1.19 0.11 -0.18 2.04 -0.78 -2.76 117.51 116.52 3fg0 h ILE 167 Ca -0.61 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 64.65 3fg0 h ILE 167 Cb 1.70 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.68 3fg0 h ILE 167 CO -0.27 0.21 -0.17 0.00 0.00 0.00 0.00 178.15 177.93 3fg0 h ALA 168 N 0.98 -0.29 -0.11 1.87 0.00 -1.54 -1.02 119.26 119.16 3fg0 h ALA 168 Ca 0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 3fg0 h ALA 168 Cb 0.20 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fg0 h ALA 168 CO -0.01 -0.70 -0.49 -1.00 0.00 0.00 0.00 179.25 177.05 3fg0 h PRO 169 N -0.34 0.29 -0.01 0.00 0.13 -1.78 -0.56 132.00 129.74 3fg0 h PRO 169 Ca 0.02 -0.16 0.02 0.00 -0.87 0.00 0.00 66.00 65.00 3fg0 h PRO 169 Cb 0.34 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.46 3fg0 h PRO 169 CO -0.08 0.72 -0.10 0.00 -0.23 0.00 0.00 178.00 178.31 3fg0 h ALA 170 N 1.25 -0.10 -0.36 -0.56 0.00 -1.19 -1.05 119.26 117.26 3fg0 h ALA 170 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3fg0 h ALA 170 Cb 0.96 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 3fg0 h ALA 170 CO 0.08 -0.59 -0.12 -0.07 0.00 0.00 0.00 179.25 178.55 3fg0 h LEU 171 N -0.17 0.73 -1.37 0.00 3.38 -1.12 -1.15 115.31 115.62 3fg0 h LEU 171 Ca 0.04 -0.38 0.09 0.00 0.09 0.00 0.00 57.88 57.72 3fg0 h LEU 171 Cb 0.22 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 3fg0 h LEU 171 CO -0.11 0.94 0.50 0.00 0.09 0.00 0.00 178.44 179.86 3fg0 h ALA 172 N 0.81 1.77 0.00 1.53 0.00 -0.88 -2.31 119.26 120.18 3fg0 h ALA 172 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fg0 h ALA 172 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3fg0 h ALA 172 CO 0.04 0.08 -0.51 0.25 0.00 0.00 0.00 179.25 179.12 3fg0 n THR 173 N -4.50 0.35 -0.05 0.00 -2.24 -0.42 -4.77 114.28 102.66 3fg0 n THR 173 Ca 0.13 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3fg0 n THR 173 Cb 0.31 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 1.35 0.97 3.81 3.38 0.00 -0.87 -4.00 105.19 109.83 3fg0 n GLY 174 Ca 0.04 -0.03 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.90 5.47 0.09 0.00 0.01 -1.00 -4.63 113.70 109.74 3fg0 s SER 176 Ca 0.60 0.13 0.04 0.00 1.31 0.00 0.00 55.95 58.04 3fg0 s SER 176 Cb -0.14 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.51 3fg0 s SER 176 CO 0.54 0.31 -0.12 -1.48 0.41 0.00 0.00 173.24 172.91 3fg0 s LEU 177 N -1.40 2.35 -0.18 2.44 0.05 0.70 -1.31 118.68 121.33 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 -0.41 0.04 0.00 -2.05 0.00 0.00 46.19 43.66 3fg0 s LEU 177 CO 0.09 -0.17 -0.07 -0.69 -0.55 0.00 0.00 176.35 174.96 3fg0 s VAL 178 N -1.91 1.26 -0.10 1.48 1.01 -0.37 -1.52 120.40 120.25 3fg0 s VAL 178 Ca 0.02 -0.75 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 3fg0 s VAL 178 Cb -0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3fg0 s VAL 178 CO 0.01 0.13 -0.07 -0.32 0.00 0.00 0.00 175.10 174.85 3fg0 s MET 179 N 1.56 3.10 -0.22 2.72 0.00 -0.02 -0.58 119.30 125.86 3fg0 s MET 179 Ca 0.00 -0.57 -0.01 0.00 0.00 0.00 0.00 55.69 55.11 3fg0 s MET 179 Cb -0.16 -2.68 0.06 0.00 0.00 0.00 0.00 34.83 32.06 3fg0 s MET 179 CO -0.08 0.47 0.01 0.21 0.00 0.00 0.00 175.02 175.64 3fg0 s LYS 180 N -0.30 1.03 0.86 4.11 2.20 0.03 -0.49 119.74 127.19 3fg0 s LYS 180 Ca 0.04 -0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 54.80 3fg0 s LYS 180 Cb -0.13 -2.29 0.12 0.00 -1.51 0.00 0.00 37.83 34.02 3fg0 s LYS 180 CO 0.02 -0.67 1.19 -1.25 -0.36 0.00 0.00 175.35 174.29 3fg0 s PRO 181 N 1.65 1.51 0.24 4.03 0.04 -1.26 -2.58 135.00 138.64 3fg0 s PRO 181 Ca -0.02 0.06 -0.31 0.00 0.04 0.00 0.00 61.00 60.77 3fg0 s PRO 181 Cb -0.18 -1.90 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 3fg0 s PRO 181 CO -0.09 -1.90 1.46 0.45 0.04 0.00 0.00 177.00 176.96 3fg0 n SER 182 N -3.52 3.01 0.28 6.66 2.88 -1.01 -4.67 113.62 117.26 3fg0 n SER 182 Ca 0.09 1.14 0.15 0.00 -1.33 0.00 0.00 58.87 58.92 3fg0 n SER 182 Cb 0.60 -1.46 0.90 0.00 -0.75 0.00 0.00 64.21 63.50 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 4.49 0.00 0.00 -1.46 9.09 -1.90 -2.23 114.58 122.57 3fg0 h GLU 183 Ca -0.45 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.96 3fg0 h GLU 183 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 3fg0 h GLU 183 CO 0.78 0.00 -0.59 0.44 0.05 0.00 0.00 179.01 179.69 3fg0 n ILE 184 N -3.87 0.03 -3.20 -1.06 -5.35 -1.26 -4.52 119.36 100.13 3fg0 n ILE 184 Ca -0.02 -0.03 -0.22 0.00 -0.27 0.00 0.00 62.75 62.21 3fg0 n ILE 184 Cb 0.11 0.31 -0.06 0.00 -1.74 0.00 0.00 39.64 38.27 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 -1.56 0.02 1.17 7.28 -2.24 -0.84 -4.62 114.28 113.50 3fg0 n THR 185 Ca 0.05 -4.43 0.12 0.00 -2.27 0.00 0.00 64.05 57.53 3fg0 n THR 185 Cb 0.35 -1.36 0.24 0.00 -2.10 0.00 0.00 70.33 67.45 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 0.86 1.30 0.29 -0.78 -0.04 -1.23 -4.56 135.00 130.83 3fg0 n PRO 186 Ca 0.24 -0.94 -0.16 0.00 -0.04 0.00 0.00 63.50 62.60 3fg0 n PRO 186 Cb 0.55 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 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 2.28 -0.63 -1.51 1.53 3.38 -1.93 -0.85 115.31 117.59 3fg0 h LEU 187 Ca 0.00 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3fg0 h LEU 187 Cb 0.66 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3fg0 h LEU 187 CO 0.00 -0.43 -0.18 0.71 0.09 0.00 0.00 178.44 178.63 3fg0 h THR 188 N -0.70 0.55 -0.03 0.22 1.35 -1.88 -1.35 112.91 111.08 3fg0 h THR 188 Ca -0.06 -0.84 -0.24 0.00 -0.55 0.00 0.00 66.41 64.71 3fg0 h THR 188 Cb 0.55 1.56 0.01 0.00 -1.73 0.00 0.00 68.15 68.54 3fg0 h THR 188 CO 0.10 0.17 -0.94 0.74 -0.25 0.00 0.00 175.52 175.34 3fg0 h THR 189 N 0.00 1.33 -0.36 6.82 2.02 -1.78 0.57 112.91 121.51 3fg0 h THR 189 Ca -0.00 -2.27 -0.00 0.00 0.77 0.00 0.00 66.41 64.91 3fg0 h THR 189 Cb 0.55 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.25 3fg0 h THR 189 CO 0.02 0.69 0.21 0.40 0.37 0.00 0.00 175.52 177.22 3fg0 h ILE 190 N 0.35 1.13 -0.51 3.11 2.04 -0.72 -1.73 117.51 121.18 3fg0 h ILE 190 Ca -0.09 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.45 3fg0 h ILE 190 Cb 1.58 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 38.32 3fg0 h ILE 190 CO 0.18 0.13 0.30 -0.09 0.00 0.00 0.00 178.15 178.66 3fg0 h ARG 191 N 0.46 0.70 -0.21 2.37 9.65 -1.10 -1.69 114.38 124.56 3fg0 h ARG 191 Ca 0.13 -0.07 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 3fg0 h ARG 191 Cb 0.02 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.45 3fg0 h ARG 191 CO -0.02 0.52 -0.18 -0.24 2.80 0.00 0.00 179.97 182.85 3fg0 h VAL 192 N 0.68 1.23 -0.48 0.20 3.04 -0.69 -1.19 116.25 119.04 3fg0 h VAL 192 Ca 0.18 -1.03 -0.05 0.00 -1.01 0.00 0.00 66.70 64.79 3fg0 h VAL 192 Cb 0.01 1.27 -0.02 0.00 -2.01 0.00 0.00 31.29 30.54 3fg0 h VAL 192 CO -0.03 0.33 0.11 -0.26 -1.01 0.00 0.00 177.57 176.70 3fg0 h PHE 193 N 0.33 0.75 -0.68 3.17 -1.00 -0.81 0.18 116.94 118.88 3fg0 h PHE 193 Ca 0.06 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3fg0 h PHE 193 Cb 0.51 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.82 3fg0 h PHE 193 CO 0.01 0.64 0.39 0.93 -1.61 0.00 0.00 178.31 178.67 3fg0 h GLU 194 N 0.70 0.94 -0.37 1.51 5.08 -0.34 -0.53 114.58 121.59 3fg0 h GLU 194 Ca 0.16 -0.10 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3fg0 h GLU 194 Cb 0.28 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3fg0 h GLU 194 CO -0.00 0.70 -0.34 -0.07 -1.00 0.00 0.00 179.01 178.29 3fg0 h LEU 195 N 0.93 0.87 -0.65 1.33 3.38 -0.69 -2.26 115.31 118.23 3fg0 h LEU 195 Ca 0.24 -0.37 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 3fg0 h LEU 195 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3fg0 h LEU 195 CO -0.04 1.13 -0.14 0.24 0.09 0.00 0.00 178.44 179.71 3fg0 h MET 196 N 0.69 0.90 -0.66 1.13 2.86 -0.43 -2.23 114.93 117.21 3fg0 h MET 196 Ca 0.07 -0.34 0.08 0.00 -2.06 0.00 0.00 59.70 57.45 3fg0 h MET 196 Cb 0.90 -0.06 -0.07 0.00 0.06 0.00 0.00 31.60 32.44 3fg0 h MET 196 CO 0.08 0.99 0.31 1.49 1.06 0.00 0.00 176.91 180.84 3fg0 h GLU 197 N 0.80 0.54 -0.70 1.72 4.81 -0.86 -0.96 114.58 119.94 3fg0 h GLU 197 Ca 0.12 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3fg0 h GLU 197 Cb 0.68 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3fg0 h GLU 197 CO 0.05 0.36 0.43 0.93 -0.73 0.00 0.00 179.01 180.04 3fg0 h GLU 198 N 0.55 0.80 -0.58 1.92 5.08 -0.99 -2.09 114.58 119.28 3fg0 h GLU 198 Ca 0.32 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.62 3fg0 h GLU 198 Cb 0.32 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3fg0 h GLU 198 CO -0.25 0.53 0.32 0.28 -1.00 0.00 0.00 179.01 178.89 3fg0 h VAL 199 N 0.83 1.19 -0.20 3.13 2.07 -0.81 -3.49 116.25 118.96 3fg0 h VAL 199 Ca 0.29 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fg0 h VAL 199 Cb 0.05 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3fg0 h VAL 199 CO -0.12 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.28 3fg0 n GLY 200 N -1.06 0.46 3.10 2.17 0.00 -0.42 -5.11 105.19 104.34 3fg0 n GLY 200 Ca 0.04 -1.06 -0.12 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 0.74 0.67 1.61 0.08 -1.26 -5.04 117.98 114.77 3fg0 s PHE 201 Ca 0.00 -0.69 -0.17 0.00 0.12 0.00 0.00 56.93 56.18 3fg0 s PHE 201 Cb 0.00 -0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.01 3fg0 s PHE 201 CO 0.00 -0.13 1.27 -2.14 -0.10 0.00 0.00 175.22 174.13 3fg0 s PRO 202 N -2.58 2.44 0.04 0.24 0.02 -1.26 -4.84 135.00 129.05 3fg0 s PRO 202 Ca -0.01 1.99 -0.35 0.00 0.02 0.00 0.00 61.00 62.65 3fg0 s PRO 202 Cb -0.03 -1.84 -0.14 0.00 0.02 0.00 0.00 34.50 32.51 3fg0 s PRO 202 CO -0.02 -1.66 1.60 1.17 -0.33 0.00 0.00 177.00 177.76 3fg0 n LYS 203 N -2.10 1.79 0.00 5.54 4.81 -1.26 -1.41 118.16 125.53 3fg0 n LYS 203 Ca 0.15 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.24 3fg0 n LYS 203 Cb 0.49 -2.40 0.00 0.00 0.02 0.00 0.00 35.03 33.14 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 3.50 2.00 0.29 3.14 0.00 -1.26 -4.59 105.19 108.26 3fg0 n GLY 204 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 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 1.24 -4.17 2.61 2.02 -1.52 -3.27 112.91 109.82 3fg0 h THR 205 Ca 0.00 -0.76 -0.65 0.00 0.77 0.00 0.00 66.41 65.77 3fg0 h THR 205 Cb 0.00 0.53 -0.31 0.00 -1.74 0.00 0.00 68.15 66.63 3fg0 h THR 205 CO 0.00 0.30 -0.87 0.27 0.37 0.00 0.00 175.52 175.59 3fg0 s ILE 206 N -5.52 1.83 -0.04 3.11 -4.36 -1.26 -0.21 121.20 114.74 3fg0 s ILE 206 Ca -0.13 -0.96 -0.04 0.00 -0.26 0.00 0.00 60.65 59.26 3fg0 s ILE 206 Cb 0.14 -1.54 0.01 0.00 1.25 0.00 0.00 42.46 42.32 3fg0 s ILE 206 CO 0.81 0.51 0.12 0.20 0.24 0.00 0.00 174.94 176.82 3fg0 s ASN 207 N -0.26 -0.09 -0.16 4.36 0.01 -0.58 -4.50 114.94 113.72 3fg0 s ASN 207 Ca 0.01 0.15 0.01 0.00 -0.71 0.00 0.00 52.86 52.32 3fg0 s ASN 207 Cb -0.11 0.24 0.02 0.00 0.41 0.00 0.00 41.25 41.80 3fg0 s ASN 207 CO 0.02 -0.09 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.12 3fg0 s LEU 208 N -0.18 1.90 -0.11 0.60 2.96 0.21 -0.84 118.68 123.22 3fg0 s LEU 208 Ca -0.03 -0.57 -0.02 0.00 -0.22 0.00 0.00 54.13 53.30 3fg0 s LEU 208 Cb -0.02 -1.33 -0.03 0.00 0.50 0.00 0.00 46.19 45.31 3fg0 s LEU 208 CO 0.00 -0.03 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.34 3fg0 s ILE 209 N 1.38 3.91 -0.10 6.68 -1.09 0.36 -1.51 121.20 130.83 3fg0 s ILE 209 Ca 0.05 -0.38 0.02 0.00 -2.23 0.00 0.00 60.65 58.11 3fg0 s ILE 209 Cb -0.13 -2.66 -0.01 0.00 -1.58 0.00 0.00 42.46 38.08 3fg0 s ILE 209 CO -0.12 0.56 -0.18 -0.76 -1.23 0.00 0.00 174.94 173.22 3fg0 s LEU 210 N -0.35 2.47 0.00 2.97 1.43 -1.26 -3.99 118.68 119.96 3fg0 s LEU 210 Ca 0.06 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.76 3fg0 s LEU 210 Cb -0.12 -1.52 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3fg0 s LEU 210 CO 0.02 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.41 3fg0 n GLY 211 N 3.33 2.53 3.78 -3.19 0.00 -1.26 0.77 105.19 111.15 3fg0 n GLY 211 Ca -0.18 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.00 3.06 0.42 4.61 0.00 -1.26 -4.34 121.76 122.25 3fg0 s ALA 212 Ca 0.00 0.73 0.08 0.00 0.00 0.00 0.00 51.96 52.77 3fg0 s ALA 212 Cb 0.00 -3.29 0.89 0.00 0.00 0.00 0.00 23.12 20.73 3fg0 s ALA 212 CO 0.00 -0.28 2.05 0.78 0.00 0.00 0.00 175.76 178.31 3fg0 h GLY 213 N 2.38 0.48 2.00 0.00 0.00 -1.96 -2.15 103.07 103.82 3fg0 h GLY 213 Ca -0.48 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 46.65 3fg0 h GLY 213 CO 0.62 0.19 0.00 -1.14 0.00 0.00 0.00 176.54 176.20 3fg0 n SER 214 N -4.46 0.25 -0.06 0.19 3.41 -1.26 -0.87 113.62 110.81 3fg0 n SER 214 Ca 0.02 0.61 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 3fg0 n SER 214 Cb 0.09 -0.65 -0.04 0.00 -0.26 0.00 0.00 64.21 63.35 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 -1.83 0.27 -0.00 4.33 4.07 -0.83 -4.83 120.64 121.82 3fg0 n GLU 215 Ca -0.00 0.12 0.09 0.00 -0.06 0.00 0.00 57.16 57.30 3fg0 n GLU 215 Cb 0.03 -0.95 -0.11 0.00 -0.06 0.00 0.00 31.44 30.35 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 -3.58 0.00 -0.16 6.31 0.24 -1.09 -4.45 118.33 115.59 3fg0 n VAL 216 Ca -0.24 -0.11 -0.09 0.00 -2.04 0.00 0.00 64.34 61.86 3fg0 n VAL 216 Cb 0.66 0.91 0.05 0.00 -1.47 0.00 0.00 33.84 33.99 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 4.18 1.05 1.56 7.63 0.00 -1.19 -2.63 103.07 113.66 3fg0 h GLY 217 Ca 0.00 -0.81 -0.05 0.00 0.00 0.00 0.00 47.33 46.47 3fg0 h GLY 217 CO 0.00 0.74 -0.01 -0.55 0.00 0.00 0.00 176.54 176.73 3fg0 h ASP 218 N 0.87 0.51 -0.48 0.19 3.32 -1.81 -1.21 116.42 117.81 3fg0 h ASP 218 Ca 0.14 -0.10 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 3fg0 h ASP 218 Cb 0.62 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3fg0 h ASP 218 CO 0.04 0.59 -0.22 0.58 -1.72 0.00 0.00 179.24 178.51 3fg0 h VAL 219 N 0.52 1.27 -0.12 -1.35 2.07 -1.80 0.20 116.25 117.04 3fg0 h VAL 219 Ca 0.11 -1.38 -0.09 0.00 0.82 0.00 0.00 66.70 66.16 3fg0 h VAL 219 Cb 0.35 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 3fg0 h VAL 219 CO 0.01 0.48 -0.33 0.24 0.02 0.00 0.00 177.57 177.99 3fg0 h MET 220 N 0.86 0.23 0.00 1.57 2.86 -1.04 -1.52 114.93 117.89 3fg0 h MET 220 Ca 0.11 -0.09 -0.24 0.00 -2.06 0.00 0.00 59.70 57.42 3fg0 h MET 220 Cb 0.80 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.40 3fg0 h MET 220 CO 0.07 0.54 -1.81 -1.13 1.06 0.00 0.00 176.91 175.64 3fg0 n SER 221 N -4.09 0.56 -0.63 1.22 3.41 -0.51 -4.55 113.62 109.01 3fg0 n SER 221 Ca -0.01 0.25 0.07 0.00 -0.26 0.00 0.00 58.87 58.92 3fg0 n SER 221 Cb 0.42 0.49 0.09 0.00 -0.26 0.00 0.00 64.21 64.95 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 1.52 0.68 3.77 5.00 0.00 0.69 -3.45 105.19 113.40 3fg0 n GLY 222 Ca -0.17 -0.43 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.14 3.50 -0.66 1.61 2.46 -0.58 -4.80 115.29 115.68 3fg0 s HIS 223 Ca 0.20 1.71 0.21 0.00 0.47 0.00 0.00 55.06 57.64 3fg0 s HIS 223 Cb 0.13 -3.17 0.86 0.00 -0.13 0.00 0.00 32.58 30.26 3fg0 s HIS 223 CO 0.18 -0.44 1.63 0.36 -2.47 0.00 0.00 174.74 174.01 3fg0 n LYS 224 N 0.69 0.13 0.00 2.88 2.85 -1.26 -2.28 118.16 121.16 3fg0 n LYS 224 Ca 0.01 0.36 0.13 0.00 -1.05 0.00 0.00 58.31 57.76 3fg0 n LYS 224 Cb 0.47 -1.74 0.37 0.00 -0.65 0.00 0.00 35.03 33.48 3fg0 n LYS 224 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3fg0 n GLU 225 N -1.99 1.27 -2.96 -1.58 -0.58 -1.26 -4.88 120.64 108.66 3fg0 n GLU 225 Ca 0.03 -0.81 -0.40 0.00 -0.42 0.00 0.00 57.16 55.56 3fg0 n GLU 225 Cb 0.21 -1.48 -0.05 0.00 -0.57 0.00 0.00 31.44 29.55 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 -2.29 4.65 -0.14 2.62 1.01 -0.97 -4.57 120.40 120.71 3fg0 s VAL 226 Ca 0.29 1.68 0.19 0.00 0.00 0.00 0.00 61.98 64.13 3fg0 s VAL 226 Cb 0.20 -4.14 -0.26 0.00 0.00 0.00 0.00 36.38 32.18 3fg0 s VAL 226 CO 0.44 0.39 0.27 0.47 0.00 0.00 0.00 175.10 176.67 3fg0 n ASP 227 N 2.60 0.13 -3.73 3.32 8.00 0.57 -4.87 116.55 122.56 3fg0 n ASP 227 Ca -0.03 0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.41 3fg0 n ASP 227 Cb 0.50 1.10 -0.11 0.00 -0.02 0.00 0.00 41.12 42.58 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 -5.32 0.39 -0.18 0.64 2.96 -1.14 -2.78 118.68 113.25 3fg0 s LEU 228 Ca -0.09 0.69 -0.02 0.00 -0.22 0.00 0.00 54.13 54.50 3fg0 s LEU 228 Cb 0.08 1.08 -0.01 0.00 0.50 0.00 0.00 46.19 47.85 3fg0 s LEU 228 CO 0.85 -0.15 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.95 3fg0 s VAL 229 N 0.86 3.26 -0.16 1.68 1.01 -0.64 -1.18 120.40 125.24 3fg0 s VAL 229 Ca -0.06 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.38 3fg0 s VAL 229 Cb -0.06 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3fg0 s VAL 229 CO -0.06 0.47 -0.20 -0.55 0.00 0.00 0.00 175.10 174.76 3fg0 s SER 230 N 0.93 3.06 -0.02 3.32 0.15 0.17 -1.17 113.70 120.15 3fg0 s SER 230 Ca -0.01 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.05 3fg0 s SER 230 Cb -0.15 -1.43 -0.00 0.00 -1.71 0.00 0.00 66.02 62.73 3fg0 s SER 230 CO 0.00 0.02 -0.10 0.12 1.20 0.00 0.00 173.24 174.48 3fg0 s PHE 231 N 1.15 0.99 -0.07 3.44 5.36 0.10 -0.93 117.98 128.02 3fg0 s PHE 231 Ca 0.01 -0.22 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 3fg0 s PHE 231 Cb -0.14 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3fg0 s PHE 231 CO -0.09 -0.07 -0.09 0.99 -1.46 0.00 0.00 175.22 174.50 3fg0 s THR 232 N -0.00 0.94 -0.19 0.12 2.01 -0.85 -1.16 115.64 116.50 3fg0 s THR 232 Ca -0.00 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.67 3fg0 s THR 232 Cb -0.07 -0.91 0.00 0.00 0.01 0.00 0.00 72.50 71.53 3fg0 s THR 232 CO 0.00 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 174.87 3fg0 n GLY 233 N 4.17 -0.68 3.96 4.40 0.00 -0.71 -3.30 105.19 113.04 3fg0 n GLY 233 Ca -0.20 -0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 1.35 0.31 -0.02 0.00 -1.26 -3.80 107.32 103.89 3fg0 s GLY 234 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 3fg0 s GLY 234 CO 0.00 -1.04 1.94 1.19 0.00 0.00 0.00 173.10 175.19 3fg0 h ILE 235 N 0.86 1.20 0.17 0.90 2.10 -1.92 -0.50 117.51 120.32 3fg0 h ILE 235 Ca -0.50 -0.48 -0.01 0.00 1.08 0.00 0.00 64.86 64.96 3fg0 h ILE 235 Cb 1.23 0.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 3fg0 h ILE 235 CO 0.60 0.22 -0.08 -0.08 -1.08 0.00 0.00 178.15 177.73 3fg0 h GLU 236 N 0.97 -0.22 -0.65 2.19 4.81 -1.95 -1.63 114.58 118.10 3fg0 h GLU 236 Ca 0.25 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 3fg0 h GLU 236 Cb -0.01 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 3fg0 h GLU 236 CO -0.04 -0.01 0.08 1.15 -0.73 0.00 0.00 179.01 179.46 3fg0 h THR 237 N -0.40 1.26 -0.67 0.32 2.02 -1.94 -2.65 112.91 110.85 3fg0 h THR 237 Ca -0.02 -1.07 0.06 0.00 0.77 0.00 0.00 66.41 66.15 3fg0 h THR 237 Cb 0.31 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 67.35 3fg0 h THR 237 CO 0.04 0.40 0.38 1.23 0.37 0.00 0.00 175.52 177.94 3fg0 h GLY 238 N 1.01 0.99 0.93 2.16 0.00 -0.99 -0.35 103.07 106.82 3fg0 h GLY 238 Ca 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3fg0 h GLY 238 CO 0.02 0.17 0.06 0.50 0.00 0.00 0.00 176.54 177.29 3fg0 h LYS 239 N 0.71 0.64 -0.44 4.80 1.57 -1.18 -0.94 116.57 121.73 3fg0 h LYS 239 Ca 0.30 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.93 3fg0 h LYS 239 Cb 0.17 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 3fg0 h LYS 239 CO -0.17 0.70 0.24 1.25 -0.57 0.00 0.00 179.45 180.90 3fg0 h HIS 240 N 0.49 0.44 -0.36 -1.35 2.76 -1.11 -0.82 115.15 115.20 3fg0 h HIS 240 Ca 0.12 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3fg0 h HIS 240 Cb 0.37 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 29.17 3fg0 h HIS 240 CO 0.03 0.24 0.22 0.82 -1.30 0.00 0.00 177.93 177.94 3fg0 h ILE 241 N 0.48 1.06 -0.58 6.26 2.04 -0.85 -1.30 117.51 124.62 3fg0 h ILE 241 Ca 0.18 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.86 3fg0 h ILE 241 Cb 0.06 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 3fg0 h ILE 241 CO -0.11 0.08 0.24 -0.03 0.00 0.00 0.00 178.15 178.33 3fg0 h MET 242 N 0.45 0.87 -0.86 2.37 4.05 -0.79 -0.12 114.93 120.90 3fg0 h MET 242 Ca 0.14 -0.16 0.02 0.00 -0.28 0.00 0.00 59.70 59.42 3fg0 h MET 242 Cb -0.02 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.59 3fg0 h MET 242 CO -0.05 0.74 0.57 0.87 0.23 0.00 0.00 176.91 179.27 3fg0 h LYS 243 N 0.80 1.10 -0.29 0.39 1.57 -0.96 -2.20 116.57 116.99 3fg0 h LYS 243 Ca 0.19 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.74 3fg0 h LYS 243 Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3fg0 h LYS 243 CO -0.02 0.73 -0.47 -0.97 -0.57 0.00 0.00 179.45 178.16 3fg0 h ASN 244 N 1.14 0.92 -0.18 0.86 -1.24 -0.77 -3.07 115.58 113.24 3fg0 h ASN 244 Ca 0.32 -0.52 0.02 0.00 0.71 0.00 0.00 56.30 56.84 3fg0 h ASN 244 Cb -0.09 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.69 3fg0 h ASN 244 CO -0.08 1.26 0.12 0.00 -1.29 0.00 0.00 177.43 177.45 3fg0 h ALA 245 N 0.69 2.00 -0.17 1.57 0.00 -0.83 -2.17 119.26 120.34 3fg0 h ALA 245 Ca 0.02 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 245 Cb 1.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3fg0 h ALA 245 CO 0.11 -0.03 0.14 0.00 0.00 0.00 0.00 179.25 179.47 3fg0 h ALA 246 N 1.90 1.98 0.00 0.00 0.00 -1.29 -0.85 119.26 121.00 3fg0 h ALA 246 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 246 Cb 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 3fg0 h ALA 246 CO -0.01 -0.23 -0.00 -0.91 0.00 0.00 0.00 179.25 178.09 3fg0 h ASN 247 N 0.00 0.00 -0.04 0.00 2.35 -1.52 -1.01 115.58 115.35 3fg0 h ASN 247 Ca 0.08 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3fg0 h ASN 247 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.74 3fg0 h ASN 247 CO -0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3fg0 n ASN 248 N -4.22 2.50 -3.79 5.81 4.13 -1.04 -4.99 115.26 113.66 3fg0 n ASN 248 Ca -0.03 -2.84 -0.24 0.00 1.68 0.00 0.00 54.58 53.15 3fg0 n ASN 248 Cb 0.09 -0.36 0.02 0.00 -1.54 0.00 0.00 39.78 37.99 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 -1.09 -3.75 -3.33 2.41 0.31 -0.39 -4.93 118.33 107.58 3fg0 n VAL 249 Ca 0.14 -0.40 -0.38 0.00 -0.01 0.00 0.00 64.34 63.68 3fg0 n VAL 249 Cb 0.59 -3.39 -0.06 0.00 -0.91 0.00 0.00 33.84 30.07 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 -3.65 4.90 0.37 2.52 2.01 -0.36 -5.01 115.64 116.43 3fg0 s THR 250 Ca 0.13 1.09 -0.27 0.00 0.31 0.00 0.00 61.69 62.95 3fg0 s THR 250 Cb -0.07 -3.84 -0.11 0.00 0.01 0.00 0.00 72.50 68.49 3fg0 s THR 250 CO 0.83 0.51 1.33 0.59 -0.69 0.00 0.00 174.62 177.19 3fg0 n ASN 251 N 2.15 2.95 -4.21 3.53 3.02 -1.12 -4.69 115.26 116.90 3fg0 n ASN 251 Ca -0.10 1.18 -0.24 0.00 -0.03 0.00 0.00 54.58 55.39 3fg0 n ASN 251 Cb 0.51 -1.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.02 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 -1.13 1.46 -0.10 2.41 -0.00 -1.26 -1.61 121.20 120.97 3fg0 s ILE 252 Ca 0.56 -1.09 0.01 0.00 -0.00 0.00 0.00 60.65 60.14 3fg0 s ILE 252 Cb -0.53 -1.28 0.02 0.00 -0.00 0.00 0.00 42.46 40.67 3fg0 s ILE 252 CO 0.61 0.16 -0.12 0.00 -0.00 0.00 0.00 174.94 175.59 3fg0 s ALA 253 N -0.77 1.50 0.00 2.27 0.00 -0.31 -4.77 121.76 119.67 3fg0 s ALA 253 Ca 0.06 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.43 3fg0 s ALA 253 Cb -0.08 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.22 3fg0 s ALA 253 CO 0.01 -0.15 -0.08 -0.51 0.00 0.00 0.00 175.76 175.03 3fg0 s LEU 254 N 1.16 2.05 -0.08 0.00 1.43 0.17 -0.72 118.68 122.68 3fg0 s LEU 254 Ca -0.04 -0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3fg0 s LEU 254 Cb -0.14 -0.38 0.03 0.00 0.03 0.00 0.00 46.19 45.72 3fg0 s LEU 254 CO -0.03 0.06 -0.02 -0.70 0.23 0.00 0.00 176.35 175.90 3fg0 s GLU 255 N -0.37 0.83 -0.12 1.70 -6.30 -0.31 -1.24 118.70 112.90 3fg0 s GLU 255 Ca 0.02 0.02 0.15 0.00 -2.50 0.00 0.00 54.97 52.66 3fg0 s GLU 255 Cb -0.04 -1.12 0.27 0.00 0.00 0.00 0.00 34.13 33.24 3fg0 s GLU 255 CO -0.00 -0.30 1.14 1.28 0.02 0.00 0.00 175.26 177.40 3fg0 n LEU 256 N 5.10 2.02 0.00 2.70 4.77 0.47 -1.73 117.00 130.33 3fg0 n LEU 256 Ca -0.08 -2.88 0.00 0.00 -0.03 0.00 0.00 56.01 53.02 3fg0 n LEU 256 Cb 0.50 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3fg0 n LEU 256 CO 0.12 0.74 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 3fg0 n GLY 257 N -1.12 -1.93 3.83 -0.72 0.00 -1.25 -3.76 105.19 100.25 3fg0 n GLY 257 Ca 0.14 -1.76 -0.04 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.50 0.05 -0.65 -0.02 0.00 -1.25 -4.48 107.32 100.47 3fg0 s GLY 258 Ca 0.00 -0.27 0.05 0.00 0.00 0.00 0.00 44.72 44.50 3fg0 s GLY 258 CO 0.00 1.13 0.48 1.17 0.00 0.00 0.00 173.10 175.88 3fg0 n LYS 259 N -0.59 1.55 -2.74 2.90 3.00 -1.26 -4.71 118.16 116.31 3fg0 n LYS 259 Ca -0.05 -4.25 -0.42 0.00 -0.00 0.00 0.00 58.31 53.59 3fg0 n LYS 259 Cb 0.60 -2.16 -0.03 0.00 0.00 0.00 0.00 35.03 33.44 3fg0 n LYS 259 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3fg0 s ASN 260 N -1.24 7.06 0.23 3.14 0.01 -1.26 -4.89 114.94 117.99 3fg0 s ASN 260 Ca 0.27 1.32 -0.22 0.00 -0.71 0.00 0.00 52.86 53.52 3fg0 s ASN 260 Cb -0.02 -2.51 -0.09 0.00 0.41 0.00 0.00 41.25 39.05 3fg0 s ASN 260 CO -0.17 -0.57 0.78 -2.16 -1.51 0.00 0.00 177.10 173.47 3fg0 s PRO 261 N 2.81 4.39 -0.38 -0.60 0.04 -1.25 -2.87 135.00 137.15 3fg0 s PRO 261 Ca 0.42 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.53 3fg0 s PRO 261 Cb -0.16 -2.95 0.11 0.00 0.04 0.00 0.00 34.50 31.54 3fg0 s PRO 261 CO 0.09 0.41 0.10 1.21 0.04 0.00 0.00 177.00 178.85 3fg0 s ASN 262 N -1.53 4.77 -0.32 6.66 3.84 -0.34 -0.68 114.94 127.33 3fg0 s ASN 262 Ca 0.43 -2.27 -0.17 0.00 0.21 0.00 0.00 52.86 51.05 3fg0 s ASN 262 Cb -0.18 -1.66 -0.01 0.00 -0.55 0.00 0.00 41.25 38.85 3fg0 s ASN 262 CO 0.23 -0.38 0.48 -0.63 -2.79 0.00 0.00 177.10 174.01 3fg0 s ILE 263 N 0.75 5.06 -0.28 -5.21 1.01 -0.09 -1.07 121.20 121.37 3fg0 s ILE 263 Ca 0.12 0.46 -0.01 0.00 0.00 0.00 0.00 60.65 61.22 3fg0 s ILE 263 Cb -0.20 -3.89 0.05 0.00 0.01 0.00 0.00 42.46 38.43 3fg0 s ILE 263 CO -0.06 -0.09 -0.04 -0.63 0.00 0.00 0.00 174.94 174.11 3fg0 s ILE 264 N 2.30 2.78 0.59 2.92 1.01 0.78 0.04 121.20 131.63 3fg0 s ILE 264 Ca 0.18 -1.36 -0.08 0.00 0.00 0.00 0.00 60.65 59.39 3fg0 s ILE 264 Cb -0.16 -2.56 -0.02 0.00 0.01 0.00 0.00 42.46 39.73 3fg0 s ILE 264 CO 0.12 -0.02 0.95 -0.36 0.00 0.00 0.00 174.94 175.63 3fg0 s PHE 265 N 1.24 3.49 -0.08 3.97 0.08 -0.56 -1.14 117.98 124.96 3fg0 s PHE 265 Ca -0.05 0.99 0.30 0.00 0.12 0.00 0.00 56.93 58.30 3fg0 s PHE 265 Cb -0.19 -2.67 1.30 0.00 -0.57 0.00 0.00 43.02 40.90 3fg0 s PHE 265 CO -0.03 -0.68 1.90 0.38 -0.10 0.00 0.00 175.22 176.69 3fg0 h ASP 266 N -0.20 0.00 -0.62 1.36 3.04 -1.88 -1.57 116.42 116.56 3fg0 h ASP 266 Ca -0.45 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.18 3fg0 h ASP 266 Cb 1.22 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.42 3fg0 h ASP 266 CO 0.62 0.00 0.20 -0.90 -2.04 0.00 0.00 179.24 177.12 3fg0 n ASP 267 N -2.73 4.57 -4.83 4.15 5.75 -1.26 -4.93 116.55 117.27 3fg0 n ASP 267 Ca 0.01 -3.00 -0.31 0.00 -0.01 0.00 0.00 54.79 51.48 3fg0 n ASP 267 Cb 0.24 -0.71 0.05 0.00 -1.03 0.00 0.00 41.12 39.67 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 -2.62 2.72 -0.37 2.12 0.00 -0.59 -0.97 121.76 122.05 3fg0 s ALA 268 Ca 0.47 0.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.21 3fg0 s ALA 268 Cb 0.37 -3.16 -0.02 0.00 0.00 0.00 0.00 23.12 20.32 3fg0 s ALA 268 CO 0.12 -1.17 1.78 0.34 0.00 0.00 0.00 175.76 176.83 3fg0 s ASP 269 N -3.85 5.85 0.11 0.00 -1.08 -1.26 -4.83 116.67 111.61 3fg0 s ASP 269 Ca 0.58 1.14 -0.21 0.00 -0.52 0.00 0.00 52.55 53.54 3fg0 s ASP 269 Cb -0.14 -2.53 -0.08 0.00 -1.46 0.00 0.00 42.92 38.71 3fg0 s ASP 269 CO 0.55 -1.77 1.74 0.15 0.52 0.00 0.00 175.17 176.35 3fg0 h PHE 270 N 12.98 0.04 -0.21 -5.34 3.57 -1.93 -0.38 116.94 125.67 3fg0 h PHE 270 Ca -0.32 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.08 3fg0 h PHE 270 Cb 1.16 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.89 3fg0 h PHE 270 CO 0.97 0.01 -0.33 0.93 -2.23 0.00 0.00 178.31 177.66 3fg0 h GLU 271 N 0.08 0.45 -0.32 1.11 4.39 -1.99 -1.49 114.58 116.80 3fg0 h GLU 271 Ca 0.05 -0.19 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 3fg0 h GLU 271 Cb 0.05 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3fg0 h GLU 271 CO -0.07 0.73 0.18 1.25 -1.16 0.00 0.00 179.01 179.94 3fg0 h LEU 272 N 0.38 0.39 -0.96 1.33 5.85 -1.90 -1.77 115.31 118.64 3fg0 h LEU 272 Ca 0.05 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3fg0 h LEU 272 Cb 0.77 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 3fg0 h LEU 272 CO 0.06 0.34 0.52 0.00 -0.34 0.00 0.00 178.44 179.02 3fg0 h ALA 273 N 1.06 1.21 -0.34 1.25 0.00 -0.77 0.08 119.26 121.76 3fg0 h ALA 273 Ca 0.11 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 273 Cb 0.03 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3fg0 h ALA 273 CO -0.02 0.65 -0.09 0.28 0.00 0.00 0.00 179.25 180.07 3fg0 h VAL 274 N 1.26 1.28 -0.36 0.00 2.07 -1.21 -0.37 116.25 118.91 3fg0 h VAL 274 Ca 0.32 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.70 3fg0 h VAL 274 Cb -0.01 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 3fg0 h VAL 274 CO -0.06 0.38 0.21 -0.78 0.02 0.00 0.00 177.57 177.34 3fg0 h ASP 275 N 0.45 0.34 1.39 0.57 3.58 -0.93 -2.13 116.42 119.68 3fg0 h ASP 275 Ca 0.08 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 3fg0 h ASP 275 Cb 0.60 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 3fg0 h ASP 275 CO 0.04 0.24 -0.26 1.56 -2.88 0.00 0.00 179.24 177.94 3fg0 h GLN 276 N 0.43 0.00 -0.46 0.28 1.08 -0.95 -1.65 115.11 113.83 3fg0 h GLN 276 Ca 0.14 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 3fg0 h GLN 276 Cb 0.01 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 3fg0 h GLN 276 CO -0.07 0.26 -0.09 0.00 -0.95 0.00 0.00 178.83 177.98 3fg0 h ALA 277 N 1.74 0.63 -0.40 3.87 0.00 -0.76 0.59 119.26 124.92 3fg0 h ALA 277 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 3fg0 h ALA 277 Cb 1.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3fg0 h ALA 277 CO 0.03 0.51 0.15 -0.07 0.00 0.00 0.00 179.25 179.88 3fg0 h LEU 278 N 0.71 0.57 -0.43 0.00 3.38 -1.12 -1.28 115.31 117.14 3fg0 h LEU 278 Ca 0.12 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3fg0 h LEU 278 Cb 0.63 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3fg0 h LEU 278 CO 0.04 0.59 0.07 0.78 0.09 0.00 0.00 178.44 180.01 3fg0 h ASN 279 N 0.51 0.69 -0.71 -0.43 2.35 -1.19 -0.07 115.58 116.73 3fg0 h ASN 279 Ca 0.13 -0.26 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 3fg0 h ASN 279 Cb 0.21 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3fg0 h ASN 279 CO -0.01 0.77 0.18 1.23 -1.65 0.00 0.00 177.43 177.96 3fg0 h GLY 280 N 0.57 1.21 1.61 2.83 0.00 -0.82 -2.85 103.07 105.63 3fg0 h GLY 280 Ca 0.13 -0.75 -0.27 0.00 0.00 0.00 0.00 47.33 46.44 3fg0 h GLY 280 CO 0.01 0.70 -1.22 -1.33 0.00 0.00 0.00 176.54 174.70 3fg0 h GLY 281 N 1.09 0.34 -0.08 4.60 0.00 -1.09 0.17 103.07 108.09 3fg0 h GLY 281 Ca 0.23 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 46.73 3fg0 h GLY 281 CO 0.00 0.72 -0.04 -1.72 0.00 0.00 0.00 176.54 175.50 3fg0 n TYR 282 N -3.56 0.00 -1.74 5.60 4.01 -0.05 -3.44 117.16 117.98 3fg0 n TYR 282 Ca -0.09 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.24 3fg0 n TYR 282 Cb 1.01 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.03 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 -0.46 2.66 -3.90 -0.72 3.01 -1.08 -1.32 117.46 115.65 3fg0 n PHE 283 Ca 0.01 0.46 -0.31 0.00 1.01 0.00 0.00 57.45 58.61 3fg0 n PHE 283 Cb 0.04 -2.50 -0.01 0.00 -0.01 0.00 0.00 39.48 37.00 3fg0 n PHE 283 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3fg0 n HIS 284 N 0.76 -1.83 -3.51 1.38 -0.00 -1.26 -1.30 115.22 109.46 3fg0 n HIS 284 Ca 0.04 0.70 -0.26 0.00 0.46 0.00 0.00 57.72 58.66 3fg0 n HIS 284 Cb 0.37 -3.03 0.01 0.00 -0.12 0.00 0.00 29.99 27.23 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 -4.12 -1.12 -0.93 1.57 0.00 -0.44 -1.03 120.51 114.43 3fg0 n ALA 285 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fg0 n ALA 285 Cb 0.51 -3.54 0.00 0.00 0.00 0.00 0.00 19.45 16.42 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 -1.40 0.53 2.41 0.00 0.00 -0.42 -0.88 105.19 105.42 3fg0 n GLY 286 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.92 3.54 -4.62 1.61 6.02 -0.20 -3.76 117.38 118.04 3fg0 n GLN 287 Ca 0.00 -2.69 -0.23 0.00 -0.01 0.00 0.00 57.00 54.07 3fg0 n GLN 287 Cb 0.08 -2.44 -0.16 0.00 1.02 0.00 0.00 30.24 28.74 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 -0.79 1.12 0.46 5.09 1.01 -1.26 -4.84 120.40 121.19 3fg0 s VAL 288 Ca 0.59 -0.54 0.14 0.00 0.00 0.00 0.00 61.98 62.17 3fg0 s VAL 288 Cb 0.26 -0.98 0.31 0.00 0.00 0.00 0.00 36.38 35.97 3fg0 s VAL 288 CO -0.12 0.33 2.04 0.00 0.00 0.00 0.00 175.10 177.35 3fg0 n SER 290 N -4.47 2.75 -4.59 0.00 3.41 -1.26 -3.76 113.62 105.69 3fg0 n SER 290 Ca 0.06 -1.94 -0.46 0.00 -0.26 0.00 0.00 58.87 56.26 3fg0 n SER 290 Cb 0.27 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.90 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 1.01 -0.40 -2.80 7.33 0.00 -0.26 -4.87 120.51 120.53 3fg0 n ALA 291 Ca 0.18 0.42 -0.44 0.00 0.00 0.00 0.00 53.44 53.60 3fg0 n ALA 291 Cb 0.46 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 1.60 3.92 0.17 0.00 0.00 0.58 -4.04 105.19 107.41 3fg0 n GLY 292 Ca 0.12 -2.11 0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 6.62 0.00 -3.74 1.61 4.64 -1.79 -3.31 113.55 117.58 3fg0 h SER 293 Ca 0.33 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.94 3fg0 h SER 293 Cb 0.79 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.55 3fg0 h SER 293 CO 1.34 0.16 -0.38 -0.60 -0.87 0.00 0.00 176.83 176.48 3fg0 s ARG 294 N -3.17 2.48 -0.13 4.77 3.52 -1.14 -0.73 118.95 124.57 3fg0 s ARG 294 Ca 0.04 -2.16 -0.24 0.00 -0.13 0.00 0.00 55.73 53.25 3fg0 s ARG 294 Cb 0.07 -3.80 -0.03 0.00 -1.56 0.00 0.00 34.95 29.63 3fg0 s ARG 294 CO 0.72 -1.16 0.74 0.42 -0.81 0.00 0.00 175.30 175.21 3fg0 s ILE 295 N 0.61 4.98 -0.22 4.11 1.01 -0.16 -1.20 121.20 130.33 3fg0 s ILE 295 Ca 0.12 1.47 -0.02 0.00 0.00 0.00 0.00 60.65 62.22 3fg0 s ILE 295 Cb -0.21 -4.06 0.01 0.00 0.01 0.00 0.00 42.46 38.20 3fg0 s ILE 295 CO -0.03 0.15 -0.08 -0.76 0.00 0.00 0.00 174.94 174.21 3fg0 s LEU 296 N 1.48 2.83 -0.02 2.97 1.43 -0.24 -1.01 118.68 126.12 3fg0 s LEU 296 Ca 0.36 -0.58 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 3fg0 s LEU 296 Cb -0.17 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.37 3fg0 s LEU 296 CO 0.15 -0.05 -0.18 0.54 0.23 0.00 0.00 176.35 177.04 3fg0 s VAL 297 N 1.40 1.46 0.29 -1.59 0.11 0.08 -0.16 120.40 122.00 3fg0 s VAL 297 Ca 0.04 -0.78 -0.30 0.00 -2.93 0.00 0.00 61.98 58.02 3fg0 s VAL 297 Cb -0.15 -1.23 -0.11 0.00 -1.53 0.00 0.00 36.38 33.37 3fg0 s VAL 297 CO -0.06 0.42 1.52 -1.58 -3.33 0.00 0.00 175.10 172.07 3fg0 s GLN 298 N -0.30 4.17 0.37 1.54 0.74 -0.30 -2.07 119.66 123.82 3fg0 s GLN 298 Ca 0.04 2.48 0.14 0.00 0.05 0.00 0.00 55.36 58.07 3fg0 s GLN 298 Cb -0.08 -3.04 0.98 0.00 1.10 0.00 0.00 33.01 31.96 3fg0 s GLN 298 CO 0.00 -0.54 1.79 -0.91 -0.55 0.00 0.00 175.29 175.08 3fg0 h ASN 299 N 4.59 0.55 0.37 6.67 2.35 -1.23 -1.84 115.58 127.04 3fg0 h ASN 299 Ca -0.47 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.32 3fg0 h ASN 299 Cb 1.22 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.57 3fg0 h ASN 299 CO 0.76 0.16 -0.17 0.77 -1.65 0.00 0.00 177.43 177.30 3fg0 h SER 300 N 0.52 0.00 -0.17 5.81 4.64 -1.90 -2.90 113.55 119.55 3fg0 h SER 300 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 3fg0 h SER 300 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3fg0 h SER 300 CO -0.31 0.17 0.00 2.30 -0.87 0.00 0.00 176.83 178.13 3fg0 n ILE 301 N -3.81 0.96 0.20 0.95 -5.35 -0.76 -4.80 119.36 106.74 3fg0 n ILE 301 Ca -0.02 -0.98 -0.15 0.00 -0.27 0.00 0.00 62.75 61.34 3fg0 n ILE 301 Cb 0.27 0.53 -0.07 0.00 -1.74 0.00 0.00 39.64 38.63 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 1.05 -0.57 -0.87 6.28 3.64 -1.15 0.11 116.57 125.06 3fg0 h LYS 302 Ca 0.00 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3fg0 h LYS 302 Cb 0.60 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 3fg0 h LYS 302 CO 0.00 -0.38 0.57 -0.44 -2.27 0.00 0.00 179.45 176.94 3fg0 h ASP 303 N -0.59 0.98 0.07 4.20 3.32 -1.87 0.34 116.42 122.87 3fg0 h ASP 303 Ca -0.02 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 3fg0 h ASP 303 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3fg0 h ASP 303 CO -0.03 0.70 -0.03 0.50 -1.72 0.00 0.00 179.24 178.66 3fg0 h LYS 304 N 1.15 -0.08 0.09 3.56 3.64 -1.87 -2.36 116.57 120.70 3fg0 h LYS 304 Ca 0.33 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 3fg0 h LYS 304 Cb -0.09 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.71 3fg0 h LYS 304 CO -0.09 0.08 -0.26 0.35 -2.27 0.00 0.00 179.45 177.26 3fg0 h PHE 305 N -0.23 -0.69 -0.87 1.91 3.57 -0.24 -1.04 116.94 119.35 3fg0 h PHE 305 Ca -0.01 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.59 3fg0 h PHE 305 Cb 0.20 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 39.18 3fg0 h PHE 305 CO -0.03 -0.36 0.56 0.93 -2.23 0.00 0.00 178.31 177.19 3fg0 h GLU 306 N -0.45 0.88 -0.38 1.11 5.08 -0.96 0.75 114.58 120.61 3fg0 h GLU 306 Ca 0.04 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.18 3fg0 h GLU 306 Cb 0.49 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3fg0 h GLU 306 CO -0.17 0.58 -0.39 1.96 -1.00 0.00 0.00 179.01 179.99 3fg0 h GLN 307 N 0.91 0.94 -0.37 2.33 1.08 -1.00 -0.82 115.11 118.18 3fg0 h GLN 307 Ca 0.39 -0.50 -0.07 0.00 -1.45 0.00 0.00 58.65 57.02 3fg0 h GLN 307 Cb 0.32 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.75 3fg0 h GLN 307 CO -0.15 1.16 -0.03 0.00 -0.95 0.00 0.00 178.83 178.85 3fg0 h ALA 308 N 0.77 0.50 0.19 3.87 0.00 -0.63 -1.28 119.26 122.69 3fg0 h ALA 308 Ca 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3fg0 h ALA 308 Cb 0.99 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3fg0 h ALA 308 CO 0.10 0.31 -0.09 1.25 0.00 0.00 0.00 179.25 180.81 3fg0 h LEU 309 N 0.49 -0.22 -0.70 0.00 5.85 -0.84 -1.99 115.31 117.90 3fg0 h LEU 309 Ca 0.10 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 3fg0 h LEU 309 Cb 0.52 0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 3fg0 h LEU 309 CO 0.03 -0.10 0.29 0.40 -0.34 0.00 0.00 178.44 178.71 3fg0 h ILE 310 N -0.32 1.25 -0.69 4.05 2.04 -1.10 0.11 117.51 122.84 3fg0 h ILE 310 Ca -0.03 -0.76 -0.03 0.00 1.00 0.00 0.00 64.86 65.04 3fg0 h ILE 310 Cb 0.25 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3fg0 h ILE 310 CO 0.04 0.31 0.33 0.44 0.00 0.00 0.00 178.15 179.27 3fg0 h ASP 311 N 1.00 0.89 0.00 1.72 5.19 -1.20 -2.31 116.42 121.72 3fg0 h ASP 311 Ca 0.24 -0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 56.37 3fg0 h ASP 311 Cb 0.20 -0.23 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 3fg0 h ASP 311 CO -0.02 0.76 -0.63 0.03 -3.12 0.00 0.00 179.24 176.26 3fg0 h ARG 312 N 0.98 0.61 -0.86 3.56 2.47 -0.57 -3.22 114.38 117.35 3fg0 h ARG 312 Ca 0.24 -0.43 0.00 0.00 -1.26 0.00 0.00 59.98 58.54 3fg0 h ARG 312 Cb 0.10 0.07 -0.04 0.00 -1.65 0.00 0.00 29.97 28.45 3fg0 h ARG 312 CO -0.03 1.04 0.54 0.28 0.56 0.00 0.00 179.97 182.37 3fg0 h VAL 313 N 0.45 1.23 0.00 2.04 2.07 -0.29 -1.67 116.25 120.08 3fg0 h VAL 313 Ca -0.01 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 67.05 3fg0 h VAL 313 Cb 1.20 -0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3fg0 h VAL 313 CO 0.12 0.23 -0.01 0.11 0.02 0.00 0.00 177.57 178.04 3fg0 h LYS 314 N 1.18 0.00 -0.08 1.57 1.57 -1.46 -1.62 116.57 117.73 3fg0 h LYS 314 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3fg0 h LYS 314 Cb -0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3fg0 h LYS 314 CO -0.06 0.01 0.00 1.63 -0.57 0.00 0.00 179.45 180.46 3fg0 n LYS 315 N -3.58 1.75 -2.29 3.15 5.02 -0.63 -4.94 118.16 116.65 3fg0 n LYS 315 Ca -0.03 -1.10 -0.42 0.00 -2.02 0.00 0.00 58.31 54.74 3fg0 n LYS 315 Cb 0.10 -1.45 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3fg0 n LYS 315 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fg0 s ILE 316 N -1.91 3.70 -0.31 -0.18 1.01 -0.61 -4.98 121.20 117.92 3fg0 s ILE 316 Ca 0.36 1.19 -0.17 0.00 0.00 0.00 0.00 60.65 62.02 3fg0 s ILE 316 Cb 0.20 -3.76 -0.02 0.00 0.01 0.00 0.00 42.46 38.89 3fg0 s ILE 316 CO 0.31 0.07 0.48 -0.54 0.00 0.00 0.00 174.94 175.25 3fg0 s LYS 317 N 1.44 3.80 0.19 2.79 -0.14 -1.26 -4.98 119.74 121.58 3fg0 s LYS 317 Ca 0.62 -0.02 -0.04 0.00 -1.36 0.00 0.00 55.97 55.16 3fg0 s LYS 317 Cb -0.32 -3.74 -0.05 0.00 -1.68 0.00 0.00 37.83 32.03 3fg0 s LYS 317 CO 0.29 -0.50 0.43 -0.51 -0.76 0.00 0.00 175.35 174.30 3fg0 s LEU 318 N 2.29 4.21 0.00 3.17 1.43 -1.26 -0.84 118.68 127.68 3fg0 s LEU 318 Ca 0.18 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 3fg0 s LEU 318 Cb -0.16 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.71 3fg0 s LEU 318 CO 0.12 -0.03 0.00 0.61 0.23 0.00 0.00 176.35 177.28 3fg0 n GLY 319 N -0.30 -1.65 3.69 -3.19 0.00 -1.06 -4.89 105.19 97.79 3fg0 n GLY 319 Ca -0.02 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.38 3fg0 n GLY 319 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fg0 n ASN 320 N 2.45 3.59 0.10 1.61 2.85 -1.26 -4.35 115.26 120.24 3fg0 n ASN 320 Ca 0.00 1.06 0.18 0.00 -0.11 0.00 0.00 54.58 55.71 3fg0 n ASN 320 Cb 0.00 -1.50 0.73 0.00 1.24 0.00 0.00 39.78 40.25 3fg0 n ASN 320 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 3fg0 h GLY 321 N 6.66 0.00 2.00 8.20 0.00 -1.82 -0.67 103.07 117.44 3fg0 h GLY 321 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3fg0 h GLY 321 CO 0.93 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.16 3fg0 n PHE 322 N -4.18 0.31 -2.98 5.60 3.72 -1.26 -1.41 117.46 117.26 3fg0 n PHE 322 Ca 0.06 0.10 -0.41 0.00 -0.05 0.00 0.00 57.45 57.14 3fg0 n PHE 322 Cb 0.46 -0.66 -0.05 0.00 -0.94 0.00 0.00 39.48 38.29 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 -3.50 6.70 0.62 4.37 -1.08 -0.26 -4.95 116.67 118.57 3fg0 s ASP 323 Ca 0.11 0.81 0.33 0.00 -0.52 0.00 0.00 52.55 53.29 3fg0 s ASP 323 Cb 0.15 -2.39 1.87 0.00 -1.46 0.00 0.00 42.92 41.09 3fg0 s ASP 323 CO 0.50 -0.50 2.16 0.00 0.52 0.00 0.00 175.17 177.85 3fg0 h ALA 324 N 7.88 1.49 0.00 3.66 0.00 -1.85 -1.02 119.26 129.42 3fg0 h ALA 324 Ca -0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3fg0 h ALA 324 Cb 1.10 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3fg0 h ALA 324 CO 0.84 -0.19 -0.00 -0.44 0.00 0.00 0.00 179.25 179.46 3fg0 h ASP 325 N 0.00 0.00 -3.01 0.00 3.32 -1.92 -3.46 116.42 111.35 3fg0 h ASP 325 Ca 0.04 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.56 3fg0 h ASP 325 Cb 0.34 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.93 3fg0 h ASP 325 CO -0.00 0.00 0.79 -0.89 -1.72 0.00 0.00 179.24 177.42 3fg0 s THR 326 N -3.14 2.94 -0.09 0.35 2.01 -0.39 -4.85 115.64 112.47 3fg0 s THR 326 Ca 0.09 0.69 0.15 0.00 0.31 0.00 0.00 61.69 62.94 3fg0 s THR 326 Cb 0.10 -3.44 -0.22 0.00 0.01 0.00 0.00 72.50 68.94 3fg0 s THR 326 CO 0.62 0.06 0.20 -0.62 -0.69 0.00 0.00 174.62 174.20 3fg0 n GLU 327 N 3.65 1.01 -3.73 4.92 1.02 -0.02 -4.97 120.64 122.53 3fg0 n GLU 327 Ca 0.11 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 57.03 3fg0 n GLU 327 Cb 0.40 -1.39 -0.15 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.75 0.07 0.00 3.49 1.75 -0.45 -4.88 119.30 116.53 3fg0 s MET 328 Ca -0.07 0.42 0.00 0.00 -1.25 0.00 0.00 55.69 54.79 3fg0 s MET 328 Cb 0.07 -0.21 0.00 0.00 2.84 0.00 0.00 34.83 37.54 3fg0 s MET 328 CO 0.66 -0.20 0.00 0.41 -0.65 0.00 0.00 175.02 175.23 3fg0 n GLY 329 N 4.51 0.08 3.88 2.11 0.00 -1.26 -2.55 105.19 111.96 3fg0 n GLY 329 Ca -0.21 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.68 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 -1.96 1.02 0.63 1.61 0.04 -1.26 -4.70 135.00 130.38 3fg0 s PRO 330 Ca 0.00 -0.14 -0.03 0.00 0.04 0.00 0.00 61.00 60.87 3fg0 s PRO 330 Cb 0.00 -1.86 0.05 0.00 0.04 0.00 0.00 34.50 32.72 3fg0 s PRO 330 CO 0.00 -2.20 0.90 0.14 0.04 0.00 0.00 177.00 175.88 3fg0 s VAL 331 N -3.67 2.53 0.18 -0.36 -7.23 0.69 -4.79 120.40 107.75 3fg0 s VAL 331 Ca 0.69 -0.42 0.02 0.00 -1.81 0.00 0.00 61.98 60.45 3fg0 s VAL 331 Cb -0.08 -3.03 -0.13 0.00 0.56 0.00 0.00 36.38 33.70 3fg0 s VAL 331 CO 0.52 -0.03 1.41 -0.29 -0.31 0.00 0.00 175.10 176.40 3fg0 h ILE 332 N -0.29 1.46 -3.11 -0.62 6.09 -1.85 -3.43 117.51 115.76 3fg0 h ILE 332 Ca -0.44 -2.44 0.04 0.00 -1.37 0.00 0.00 64.86 60.65 3fg0 h ILE 332 Cb 1.30 2.34 -0.07 0.00 0.47 0.00 0.00 36.82 40.87 3fg0 h ILE 332 CO 0.57 0.71 0.16 -0.94 -3.07 0.00 0.00 178.15 175.59 3fg0 s SER 333 N -6.94 -0.27 0.17 2.19 1.04 -1.26 -4.71 113.70 103.92 3fg0 s SER 333 Ca -0.04 -0.58 -0.12 0.00 0.48 0.00 0.00 55.95 55.70 3fg0 s SER 333 Cb 0.10 0.68 0.07 0.00 0.10 0.00 0.00 66.02 66.98 3fg0 s SER 333 CO 0.83 -1.25 1.73 0.74 0.98 0.00 0.00 173.24 176.26 3fg0 h THR 334 N 2.05 1.23 -0.76 2.02 2.02 -1.97 -0.44 112.91 117.05 3fg0 h THR 334 Ca -0.22 -0.70 0.08 0.00 0.77 0.00 0.00 66.41 66.34 3fg0 h THR 334 Cb 1.26 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 68.18 3fg0 h THR 334 CO 0.28 0.27 0.43 -0.33 0.37 0.00 0.00 175.52 176.53 3fg0 h GLU 335 N 0.81 0.72 0.02 6.66 5.08 -1.99 0.67 114.58 126.55 3fg0 h GLU 335 Ca 0.20 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.25 3fg0 h GLU 335 Cb 0.19 -0.16 0.02 0.00 0.50 0.00 0.00 28.75 29.30 3fg0 h GLU 335 CO -0.02 0.47 -1.05 1.25 -1.00 0.00 0.00 179.01 178.67 3fg0 h HIS 336 N 0.74 0.95 -0.68 4.33 2.76 -1.89 -2.32 115.15 119.03 3fg0 h HIS 336 Ca 0.36 -0.53 -0.03 0.00 -2.20 0.00 0.00 60.37 57.97 3fg0 h HIS 336 Cb 0.30 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 29.13 3fg0 h HIS 336 CO -0.07 1.36 0.30 -0.09 -1.30 0.00 0.00 177.93 178.12 3fg0 h ARG 337 N 0.34 0.99 -0.88 5.26 2.43 -0.85 -1.54 114.38 120.13 3fg0 h ARG 337 Ca -0.13 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 58.87 3fg0 h ARG 337 Cb 1.70 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 31.04 3fg0 h ARG 337 CO 0.20 0.79 0.46 -0.91 -1.51 0.00 0.00 179.97 179.01 3fg0 h ASN 338 N 0.98 1.11 -0.25 -3.80 2.35 -0.78 -0.43 115.58 114.77 3fg0 h ASN 338 Ca 0.23 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.87 3fg0 h ASN 338 Cb 0.15 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3fg0 h ASN 338 CO -0.02 0.91 0.12 0.50 -1.65 0.00 0.00 177.43 177.29 3fg0 h LYS 339 N 1.24 0.36 -0.27 0.81 3.64 -0.82 -1.43 116.57 120.10 3fg0 h LYS 339 Ca 0.31 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 3fg0 h LYS 339 Cb 0.06 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 3fg0 h LYS 339 CO -0.05 0.35 0.10 0.82 -2.27 0.00 0.00 179.45 178.41 3fg0 h ILE 340 N 0.28 0.94 -0.53 2.00 2.04 -0.91 -2.52 117.51 118.80 3fg0 h ILE 340 Ca 0.09 -0.08 0.07 0.00 1.00 0.00 0.00 64.86 65.94 3fg0 h ILE 340 Cb 0.11 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.82 3fg0 h ILE 340 CO -0.01 0.04 0.20 -0.33 0.00 0.00 0.00 178.15 178.05 3fg0 h GLU 341 N 0.23 0.37 -0.02 2.37 5.08 -0.94 -1.57 114.58 120.10 3fg0 h GLU 341 Ca 0.12 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3fg0 h GLU 341 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3fg0 h GLU 341 CO -0.11 0.25 -0.13 0.66 -1.00 0.00 0.00 179.01 178.67 3fg0 h SER 342 N 0.38 0.03 0.89 1.42 4.64 -0.89 -1.77 113.55 118.26 3fg0 h SER 342 Ca 0.26 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.54 3fg0 h SER 342 Cb 0.28 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3fg0 h SER 342 CO -0.25 0.16 -0.16 1.88 -0.87 0.00 0.00 176.83 177.59 3fg0 h TYR 343 N 0.03 0.00 -0.48 4.77 0.05 -0.88 -2.43 116.97 118.03 3fg0 h TYR 343 Ca 0.01 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.70 3fg0 h TYR 343 Cb 0.25 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3fg0 h TYR 343 CO 0.00 0.16 -0.06 0.52 -1.05 0.00 0.00 178.16 177.73 3fg0 h MET 344 N 0.00 0.84 -0.35 4.88 2.86 -1.18 0.54 114.93 122.52 3fg0 h MET 344 Ca -0.00 -0.26 -0.12 0.00 -2.06 0.00 0.00 59.70 57.26 3fg0 h MET 344 Cb 0.65 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 3fg0 h MET 344 CO 0.02 0.88 -0.24 -0.44 1.06 0.00 0.00 176.91 178.19 3fg0 h ASP 345 N 0.77 0.83 -0.24 1.22 3.32 -1.50 -2.35 116.42 118.47 3fg0 h ASP 345 Ca 0.14 -0.43 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 3fg0 h ASP 345 Cb 0.55 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3fg0 h ASP 345 CO 0.03 1.08 0.14 0.58 -1.72 0.00 0.00 179.24 179.35 3fg0 h VAL 346 N 0.57 1.11 -0.41 -1.35 2.07 -0.99 0.39 116.25 117.63 3fg0 h VAL 346 Ca 0.07 -0.28 0.04 0.00 0.82 0.00 0.00 66.70 67.35 3fg0 h VAL 346 Cb 0.81 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 3fg0 h VAL 346 CO 0.07 0.11 0.17 0.00 0.02 0.00 0.00 177.57 177.93 3fg0 h ALA 347 N 1.03 0.50 -0.34 1.67 0.00 -0.86 -0.30 119.26 120.96 3fg0 h ALA 347 Ca 0.09 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 347 Cb 0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 347 CO -0.01 -0.21 -0.04 0.87 0.00 0.00 0.00 179.25 179.86 3fg0 h LYS 348 N 0.36 0.63 0.00 0.00 1.57 -1.25 0.29 116.57 118.17 3fg0 h LYS 348 Ca 0.19 -0.22 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3fg0 h LYS 348 Cb 0.14 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3fg0 h LYS 348 CO -0.17 0.77 -0.19 0.00 -0.57 0.00 0.00 179.45 179.29 3fg0 h ALA 349 N 0.84 1.41 -0.01 3.86 0.00 -0.53 -2.51 119.26 122.33 3fg0 h ALA 349 Ca 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 349 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3fg0 h ALA 349 CO 0.02 0.24 -0.16 0.39 0.00 0.00 0.00 179.25 179.74 3fg0 n GLU 350 N -3.92 1.21 0.00 0.00 1.02 -0.16 -4.96 120.64 113.84 3fg0 n GLU 350 Ca -0.02 -0.74 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 3fg0 n GLU 350 Cb 0.28 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fg0 n GLY 351 N 1.28 0.80 3.89 0.62 0.00 -0.94 -5.04 105.19 105.80 3fg0 n GLY 351 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 2.91 -0.12 4.61 0.00 0.08 -4.85 121.76 122.38 3fg0 s ALA 352 Ca 0.00 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 51.51 3fg0 s ALA 352 Cb 0.00 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 3fg0 s ALA 352 CO 0.00 -1.18 -0.08 0.99 0.00 0.00 0.00 175.76 175.49 3fg0 s THR 353 N -3.35 3.57 -0.74 0.00 2.01 -0.46 -4.30 115.64 112.37 3fg0 s THR 353 Ca 0.58 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.88 3fg0 s THR 353 Cb -0.11 -2.52 0.08 0.00 0.01 0.00 0.00 72.50 69.96 3fg0 s THR 353 CO 0.51 0.53 1.03 -0.63 -0.69 0.00 0.00 174.62 175.37 3fg0 s ILE 354 N 0.03 4.37 0.33 1.82 -1.09 -1.26 -0.74 121.20 124.65 3fg0 s ILE 354 Ca -0.02 -0.63 0.09 0.00 -2.23 0.00 0.00 60.65 57.87 3fg0 s ILE 354 Cb -0.14 -4.73 0.07 0.00 -1.58 0.00 0.00 42.46 36.08 3fg0 s ILE 354 CO 0.03 -1.51 1.76 0.00 -1.23 0.00 0.00 174.94 174.00 3fg0 h ALA 355 N 9.43 1.24 -1.74 9.38 0.00 -1.26 -3.45 119.26 132.86 3fg0 h ALA 355 Ca -0.16 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.40 3fg0 h ALA 355 Cb 1.06 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 18.54 3fg0 h ALA 355 CO 1.18 0.53 0.38 0.54 0.00 0.00 0.00 179.25 181.88 3fg0 s VAL 356 N -4.20 0.00 0.00 0.00 0.11 -1.17 -4.98 120.40 110.16 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 0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 3fg0 s VAL 356 CO 0.75 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.13 3fg0 n GLY 357 N 1.24 -0.07 0.91 6.54 0.00 -1.25 -2.17 105.19 110.39 3fg0 n GLY 357 Ca -0.14 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 0.78 3.24 -0.02 0.00 -1.26 -4.99 105.19 102.94 3fg0 n GLY 358 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.56 0.97 0.29 1.61 -2.85 -1.26 -4.97 119.74 112.96 3fg0 s LYS 359 Ca 0.00 -1.14 -0.29 0.00 -1.00 0.00 0.00 55.97 53.54 3fg0 s LYS 359 Cb 0.00 0.33 -0.10 0.00 -2.06 0.00 0.00 37.83 36.00 3fg0 s LYS 359 CO 0.00 -0.32 1.28 1.03 0.10 0.00 0.00 175.35 177.44 3fg0 s ARG 360 N -3.94 4.41 0.55 1.78 0.52 -1.26 -1.54 118.95 119.47 3fg0 s ARG 360 Ca 0.13 2.11 -0.19 0.00 -0.52 0.00 0.00 55.73 57.27 3fg0 s ARG 360 Cb 0.05 -3.12 -0.06 0.00 0.52 0.00 0.00 34.95 32.34 3fg0 s ARG 360 CO -0.04 -0.14 1.09 -2.14 0.02 0.00 0.00 175.30 174.09 3fg0 s PRO 361 N -1.30 3.40 0.00 3.54 0.02 -1.26 -4.89 135.00 134.51 3fg0 s PRO 361 Ca 0.50 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.98 3fg0 s PRO 361 Cb -0.38 -2.03 0.00 0.00 0.02 0.00 0.00 34.50 32.12 3fg0 s PRO 361 CO 0.47 -0.78 0.71 -3.47 -0.33 0.00 0.00 177.00 173.61 3fg0 n ASP 362 N -1.45 1.27 -4.77 2.53 2.03 -1.26 -4.45 116.55 110.45 3fg0 n ASP 362 Ca 0.10 -1.51 -0.34 0.00 0.52 0.00 0.00 54.79 53.57 3fg0 n ASP 362 Cb 0.52 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.94 3fg0 n ASP 362 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3fg0 s ARG 363 N -0.51 3.06 0.22 -0.67 1.81 -1.26 -4.52 118.95 117.08 3fg0 s ARG 363 Ca 0.00 1.51 -0.09 0.00 -1.72 0.00 0.00 55.73 55.43 3fg0 s ARG 363 Cb 0.00 -1.98 0.32 0.00 -0.45 0.00 0.00 34.95 32.84 3fg0 s ARG 363 CO 0.00 -1.06 1.72 -0.44 -0.68 0.00 0.00 175.30 174.83 3fg0 h ASP 364 N 0.60 0.09 0.35 0.23 5.19 -1.99 0.45 116.42 121.35 3fg0 h ASP 364 Ca -0.48 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3fg0 h ASP 364 Cb 1.26 0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.89 3fg0 h ASP 364 CO 0.55 0.05 0.00 -0.90 -3.12 0.00 0.00 179.24 175.82 3fg0 n ASP 365 N -5.08 0.00 -0.00 6.45 5.75 -1.26 -3.37 116.55 119.04 3fg0 n ASP 365 Ca 0.10 -0.16 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 3fg0 n ASP 365 Cb 0.33 -0.23 -0.01 0.00 -1.03 0.00 0.00 41.12 40.18 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 -1.23 0.00 0.25 -2.12 4.77 -0.27 -4.79 117.00 113.60 3fg0 n LEU 366 Ca 0.12 0.00 0.08 0.00 -0.03 0.00 0.00 56.01 56.17 3fg0 n LEU 366 Cb 0.16 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.87 3fg0 n LEU 366 CO 0.17 0.00 1.02 0.50 -1.33 0.00 0.00 177.39 177.75 3fg0 h LYS 367 N 0.00 0.00 0.00 3.23 3.64 -0.19 -2.13 116.57 121.12 3fg0 h LYS 367 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fg0 h LYS 367 Cb 0.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3fg0 h LYS 367 CO 0.00 0.06 -0.46 -0.44 -2.27 0.00 0.00 179.45 176.34 3fg0 h ASP 368 N 0.00 0.00 -1.65 4.20 3.32 -1.84 -3.47 116.42 116.97 3fg0 h ASP 368 Ca -0.00 -0.14 -0.46 0.00 0.02 0.00 0.00 57.03 56.46 3fg0 h ASP 368 Cb 0.11 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.70 3fg0 h ASP 368 CO 0.01 0.07 -0.07 -0.83 -1.72 0.00 0.00 179.24 176.69 3fg0 s GLY 369 N -3.70 1.81 -0.73 2.75 0.00 -0.80 -4.01 107.32 102.64 3fg0 s GLY 369 Ca 0.07 -1.75 -0.04 0.00 0.00 0.00 0.00 44.72 42.99 3fg0 s GLY 369 CO 0.69 -1.37 2.67 1.04 0.00 0.00 0.00 173.10 176.13 3fg0 n LEU 370 N -2.32 6.97 -4.88 0.66 4.77 -0.30 -4.97 117.00 116.93 3fg0 n LEU 370 Ca 0.12 -4.32 -0.30 0.00 -0.03 0.00 0.00 56.01 51.48 3fg0 n LEU 370 Cb 0.60 -1.28 -0.03 0.00 -2.33 0.00 0.00 43.42 40.39 3fg0 n LEU 370 CO 0.41 1.84 0.47 -0.36 -1.33 0.00 0.00 177.39 178.42 3fg0 s PHE 371 N -1.46 3.49 -0.13 -1.77 0.40 -1.26 -0.22 117.98 117.02 3fg0 s PHE 371 Ca 0.58 1.05 -0.09 0.00 -0.60 0.00 0.00 56.93 57.87 3fg0 s PHE 371 Cb 0.32 -2.46 0.04 0.00 0.51 0.00 0.00 43.02 41.43 3fg0 s PHE 371 CO -0.18 -0.16 0.33 0.12 0.70 0.00 0.00 175.22 176.03 3fg0 s PHE 372 N -2.46 -0.43 0.37 0.36 5.36 -1.26 -4.27 117.98 115.66 3fg0 s PHE 372 Ca 0.51 0.98 -0.27 0.00 -0.96 0.00 0.00 56.93 57.20 3fg0 s PHE 372 Cb -0.10 0.15 -0.09 0.00 -0.34 0.00 0.00 43.02 42.63 3fg0 s PHE 372 CO 0.34 -0.24 1.27 -1.21 -1.46 0.00 0.00 175.22 173.91 3fg0 s GLU 373 N 0.84 4.15 0.32 10.12 2.02 -0.59 -4.90 118.70 130.67 3fg0 s GLU 373 Ca -0.05 2.10 -0.29 0.00 0.02 0.00 0.00 54.97 56.74 3fg0 s GLU 373 Cb -0.06 -2.87 -0.11 0.00 0.10 0.00 0.00 34.13 31.18 3fg0 s GLU 373 CO -0.06 -0.32 1.55 -0.35 0.02 0.00 0.00 175.26 176.10 3fg0 n PRO 374 N 0.40 2.68 -4.37 0.39 -0.04 -1.26 -4.21 135.00 128.59 3fg0 n PRO 374 Ca 0.02 0.95 -0.20 0.00 -0.04 0.00 0.00 63.50 64.24 3fg0 n PRO 374 Cb 0.44 -2.71 -0.15 0.00 -0.04 0.00 0.00 33.50 31.03 3fg0 n PRO 374 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fg0 s THR 375 N -0.42 0.74 -0.15 0.52 2.01 0.60 -3.94 115.64 114.99 3fg0 s THR 375 Ca 0.60 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.25 3fg0 s THR 375 Cb -0.49 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.39 3fg0 s THR 375 CO 0.54 0.22 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.81 3fg0 s VAL 376 N 0.04 1.94 -0.20 3.82 1.01 -0.92 -1.57 120.40 124.53 3fg0 s VAL 376 Ca -0.01 -0.89 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3fg0 s VAL 376 Cb -0.07 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 3fg0 s VAL 376 CO 0.00 0.52 0.00 -0.63 0.00 0.00 0.00 175.10 175.00 3fg0 s ILE 377 N 1.10 3.98 0.48 2.22 -1.09 0.16 -0.67 121.20 127.38 3fg0 s ILE 377 Ca -0.01 -0.30 0.02 0.00 -2.23 0.00 0.00 60.65 58.13 3fg0 s ILE 377 Cb -0.14 -2.80 0.02 0.00 -1.58 0.00 0.00 42.46 37.96 3fg0 s ILE 377 CO -0.07 0.43 0.15 0.35 -1.23 0.00 0.00 174.94 174.57 3fg0 n THR 378 N 4.23 0.00 -3.94 2.92 -2.24 0.08 -1.35 114.28 113.98 3fg0 n THR 378 Ca -0.17 -2.11 -0.28 0.00 -2.27 0.00 0.00 64.05 59.23 3fg0 n THR 378 Cb 0.52 0.23 -0.01 0.00 -2.10 0.00 0.00 70.33 68.97 3fg0 n THR 378 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3fg0 n ASN 379 N -1.51 -1.14 -4.46 3.42 3.02 -1.26 -1.36 115.26 111.97 3fg0 n ASN 379 Ca -0.12 -1.04 -0.24 0.00 -0.03 0.00 0.00 54.58 53.15 3fg0 n ASN 379 Cb 0.58 -2.96 -0.10 0.00 -0.61 0.00 0.00 39.78 36.69 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 -3.55 0.04 0.53 0.00 1.47 -1.26 -4.77 116.67 109.12 3fg0 s ASP 381 Ca 0.34 -1.09 0.34 0.00 1.18 0.00 0.00 52.55 53.32 3fg0 s ASP 381 Cb 0.08 0.47 1.84 0.00 -0.34 0.00 0.00 42.92 44.97 3fg0 s ASP 381 CO 0.15 -0.97 2.03 0.00 0.68 0.00 0.00 175.17 177.07 3fg0 h THR 382 N 2.47 0.00 0.00 2.11 1.03 -1.98 -0.83 112.91 115.71 3fg0 h THR 382 Ca -0.31 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.09 3fg0 h THR 382 Cb 1.24 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 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 -3.80 0.00 4.64 -1.98 -3.42 113.55 109.00 3fg0 h SER 383 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3fg0 h SER 383 Cb 0.08 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.15 3fg0 h SER 383 CO 0.00 0.00 0.30 -0.04 -0.87 0.00 0.00 176.83 176.22 3fg0 s MET 384 N -3.22 4.57 0.22 4.77 -1.94 -0.32 -4.97 119.30 118.42 3fg0 s MET 384 Ca 0.08 1.27 -0.08 0.00 -1.71 0.00 0.00 55.69 55.25 3fg0 s MET 384 Cb 0.10 -2.91 0.23 0.00 2.01 0.00 0.00 34.83 34.26 3fg0 s MET 384 CO 0.55 0.35 1.87 0.00 -0.01 0.00 0.00 175.02 177.79 3fg0 h ARG 385 N 3.43 0.99 -0.24 2.03 3.08 -1.89 -1.10 114.38 120.68 3fg0 h ARG 385 Ca -0.47 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 59.59 3fg0 h ARG 385 Cb 1.19 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 3fg0 h ARG 385 CO 0.65 0.66 0.17 0.97 -1.07 0.00 0.00 179.97 181.36 3fg0 h ILE 386 N 1.02 0.84 0.15 2.04 6.09 -1.92 0.28 117.51 126.02 3fg0 h ILE 386 Ca 0.32 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.53 3fg0 h ILE 386 Cb -0.02 0.88 0.01 0.00 0.47 0.00 0.00 36.82 38.16 3fg0 h ILE 386 CO -0.10 0.00 -1.36 0.58 -3.07 0.00 0.00 178.15 174.20 3fg0 h VAL 387 N 0.00 1.14 0.00 2.19 2.07 -1.65 -3.39 116.25 116.62 3fg0 h VAL 387 Ca 0.11 -2.48 -0.14 0.00 0.82 0.00 0.00 66.70 65.01 3fg0 h VAL 387 Cb 0.46 2.86 -0.02 0.00 -1.52 0.00 0.00 31.29 33.07 3fg0 h VAL 387 CO -0.00 0.75 -0.67 1.56 0.02 0.00 0.00 177.57 179.23 3fg0 h GLN 388 N -0.19 0.00 -5.91 1.57 1.08 -0.66 -3.47 115.11 107.54 3fg0 h GLN 388 Ca -0.27 0.00 -0.66 0.00 -1.45 0.00 0.00 58.65 56.27 3fg0 h GLN 388 Cb 1.85 0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 29.18 3fg0 h GLN 388 CO 0.12 0.67 -0.55 -1.21 -0.95 0.00 0.00 178.83 176.91 3fg0 s GLU 389 N -3.10 3.17 -0.36 1.46 2.02 0.04 -4.80 118.70 117.13 3fg0 s GLU 389 Ca 0.01 -0.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.33 3fg0 s GLU 389 Cb 0.10 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.39 3fg0 s GLU 389 CO 0.76 0.68 1.40 -2.00 0.02 0.00 0.00 175.26 176.12 3fg0 s GLU 390 N -1.53 3.70 -0.02 1.61 2.12 -1.26 -4.86 118.70 118.46 3fg0 s GLU 390 Ca 0.21 1.09 -0.13 0.00 0.36 0.00 0.00 54.97 56.50 3fg0 s GLU 390 Cb -0.12 -3.98 -0.33 0.00 0.26 0.00 0.00 34.13 29.96 3fg0 s GLU 390 CO 0.11 -1.41 0.79 0.28 -0.54 0.00 0.00 175.26 174.49 3fg0 h VAL 391 N 6.28 1.07 -5.05 3.70 2.07 -1.91 -3.49 116.25 118.92 3fg0 h VAL 391 Ca -0.28 -2.58 -0.32 0.00 0.82 0.00 0.00 66.70 64.35 3fg0 h VAL 391 Cb 1.11 2.87 0.12 0.00 -1.52 0.00 0.00 31.29 33.87 3fg0 h VAL 391 CO 1.06 0.84 -0.58 0.33 0.02 0.00 0.00 177.57 179.24 3fg0 n PHE 392 N -3.66 -2.32 -4.15 1.57 7.35 -1.26 -4.76 117.46 110.24 3fg0 n PHE 392 Ca -0.22 0.84 -0.10 0.00 -0.76 0.00 0.00 57.45 57.22 3fg0 n PHE 392 Cb 1.08 -4.42 -0.04 0.00 0.35 0.00 0.00 39.48 36.45 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 -1.65 3.52 2.53 7.13 0.00 -1.25 -4.26 105.19 111.21 3fg0 n GLY 393 Ca -0.04 -1.80 -0.41 0.00 0.00 0.00 0.00 46.02 43.78 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 -0.32 3.36 -3.92 1.61 -0.04 -0.06 -4.13 135.00 131.52 3fg0 n PRO 394 Ca 0.03 -2.49 -0.16 0.00 -0.04 0.00 0.00 63.50 60.84 3fg0 n PRO 394 Cb 0.29 -3.02 -0.16 0.00 -0.04 0.00 0.00 33.50 30.58 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 2.40 0.14 0.08 0.52 1.01 -1.26 -0.30 120.40 122.99 3fg0 s VAL 395 Ca 0.58 0.07 0.07 0.00 0.00 0.00 0.00 61.98 62.69 3fg0 s VAL 395 Cb 0.16 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.29 3fg0 s VAL 395 CO -0.07 0.12 -0.18 0.68 0.00 0.00 0.00 175.10 175.65 3fg0 s VAL 396 N 0.80 1.42 0.14 2.92 -7.23 -0.61 -4.69 120.40 113.15 3fg0 s VAL 396 Ca -0.08 -1.39 0.06 0.00 -1.81 0.00 0.00 61.98 58.76 3fg0 s VAL 396 Cb -0.11 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 3fg0 s VAL 396 CO -0.02 -0.11 0.01 0.42 -0.31 0.00 0.00 175.10 175.09 3fg0 s THR 397 N -1.17 3.91 -0.23 5.32 -4.23 0.10 -0.66 115.64 118.68 3fg0 s THR 397 Ca 0.03 -1.21 0.00 0.00 -1.18 0.00 0.00 61.69 59.33 3fg0 s THR 397 Cb -0.10 -2.93 0.06 0.00 1.34 0.00 0.00 72.50 70.87 3fg0 s THR 397 CO 0.03 -0.01 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.36 3fg0 s VAL 398 N -1.55 1.43 0.09 2.29 1.01 -0.45 -0.99 120.40 122.23 3fg0 s VAL 398 Ca 0.27 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 61.15 3fg0 s VAL 398 Cb -0.10 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3fg0 s VAL 398 CO 0.19 -0.12 -0.06 -1.61 0.00 0.00 0.00 175.10 173.50 3fg0 s GLU 399 N 1.44 2.32 0.22 2.72 2.02 -0.18 -4.33 118.70 122.91 3fg0 s GLU 399 Ca -0.05 -0.93 0.04 0.00 0.02 0.00 0.00 54.97 54.05 3fg0 s GLU 399 Cb -0.19 -2.41 -0.03 0.00 0.10 0.00 0.00 34.13 31.60 3fg0 s GLU 399 CO -0.06 0.53 0.34 0.20 0.02 0.00 0.00 175.26 176.28 3fg0 s GLY 400 N -2.21 1.33 0.02 -1.39 0.00 -1.26 -0.75 107.32 103.06 3fg0 s GLY 400 Ca 0.23 -1.19 -0.04 0.00 0.00 0.00 0.00 44.72 43.72 3fg0 s GLY 400 CO 0.15 -1.21 0.07 -0.11 0.00 0.00 0.00 173.10 172.00 3fg0 s PHE 401 N -1.93 0.16 -0.21 1.90 -0.12 -0.88 -4.83 117.98 112.08 3fg0 s PHE 401 Ca 0.34 -0.36 -0.19 0.00 -0.05 0.00 0.00 56.93 56.67 3fg0 s PHE 401 Cb -0.09 -0.12 -0.16 0.00 -0.63 0.00 0.00 43.02 42.01 3fg0 s PHE 401 CO 0.29 -0.27 0.11 -1.91 -0.05 0.00 0.00 175.22 173.39 3fg0 n GLU 402 N 1.35 0.55 -4.60 1.99 4.07 -1.26 -0.74 120.64 122.00 3fg0 n GLU 402 Ca -0.22 0.54 -0.27 0.00 -0.06 0.00 0.00 57.16 57.15 3fg0 n GLU 402 Cb 0.56 -1.72 -0.11 0.00 -0.06 0.00 0.00 31.44 30.11 3fg0 n GLU 402 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3fg0 s THR 403 N -2.36 1.96 0.22 6.31 -4.23 -1.26 -4.76 115.64 111.51 3fg0 s THR 403 Ca -0.28 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.13 3fg0 s THR 403 Cb 0.06 -2.96 0.16 0.00 1.34 0.00 0.00 72.50 71.10 3fg0 s THR 403 CO 0.53 -0.02 1.83 -0.08 -0.54 0.00 0.00 174.62 176.35 3fg0 h GLU 404 N 1.81 0.77 -0.76 3.99 4.81 -1.99 -0.38 114.58 122.83 3fg0 h GLU 404 Ca -0.44 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.69 3fg0 h GLU 404 Cb 1.24 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 3fg0 h GLU 404 CO 0.79 0.51 0.27 1.96 -0.73 0.00 0.00 179.01 181.82 3fg0 h GLN 405 N 0.80 1.16 -0.51 1.92 7.50 -2.00 -2.03 115.11 121.95 3fg0 h GLN 405 Ca 0.31 -0.23 -0.11 0.00 0.50 0.00 0.00 58.65 59.13 3fg0 h GLN 405 Cb 0.14 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.47 3fg0 h GLN 405 CO -0.16 0.96 -0.10 1.49 -1.50 0.00 0.00 178.83 179.52 3fg0 h GLU 406 N 1.12 0.96 -0.57 1.46 4.81 -1.81 -1.65 114.58 118.90 3fg0 h GLU 406 Ca 0.25 -0.36 0.06 0.00 -0.13 0.00 0.00 59.36 59.19 3fg0 h GLU 406 Cb 0.26 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 3fg0 h GLU 406 CO -0.01 1.02 0.26 0.00 -0.73 0.00 0.00 179.01 179.55 3fg0 h ALA 407 N 0.91 0.73 -0.38 2.92 0.00 -0.70 -1.33 119.26 121.42 3fg0 h ALA 407 Ca 0.13 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3fg0 h ALA 407 Cb 0.65 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3fg0 h ALA 407 CO 0.05 -0.11 0.08 0.82 0.00 0.00 0.00 179.25 180.09 3fg0 h ILE 408 N 0.49 1.23 -0.35 0.00 2.04 -1.26 -1.17 117.51 118.49 3fg0 h ILE 408 Ca 0.26 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3fg0 h ILE 408 Cb 0.23 1.03 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3fg0 h ILE 408 CO -0.22 0.27 0.20 -0.61 0.00 0.00 0.00 178.15 177.80 3fg0 h GLN 409 N 0.47 0.49 -0.26 2.37 4.15 -1.01 -1.32 115.11 120.00 3fg0 h GLN 409 Ca 0.12 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 3fg0 h GLN 409 Cb 0.32 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3fg0 h GLN 409 CO 0.00 0.40 0.05 -0.07 -1.93 0.00 0.00 178.83 177.28 3fg0 h LEU 410 N 0.45 0.41 -1.10 -2.39 3.38 -1.20 -2.08 115.31 112.78 3fg0 h LEU 410 Ca 0.12 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.89 3fg0 h LEU 410 Cb 0.05 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 40.63 3fg0 h LEU 410 CO -0.02 0.55 0.61 0.00 0.09 0.00 0.00 178.44 179.67 3fg0 h ALA 411 N 0.87 1.44 -0.00 1.53 0.00 -1.07 -1.01 119.26 121.02 3fg0 h ALA 411 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3fg0 h ALA 411 Cb 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3fg0 h ALA 411 CO 0.00 0.45 -0.08 0.09 0.00 0.00 0.00 179.25 179.71 3fg0 n ASN 412 N -4.47 0.15 -3.79 0.00 5.03 -0.51 -4.50 115.26 107.18 3fg0 n ASN 412 Ca 0.13 -0.00 -0.42 0.00 0.87 0.00 0.00 54.58 55.16 3fg0 n ASN 412 Cb 0.15 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 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 -1.32 4.87 -3.87 6.41 2.03 -0.38 -4.82 116.55 119.47 3fg0 n ASP 413 Ca 0.11 -3.01 -0.08 0.00 0.52 0.00 0.00 54.79 52.33 3fg0 n ASP 413 Cb 0.30 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 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 1.66 -0.23 0.00 1.67 1.04 -1.26 -4.97 113.70 111.61 3fg0 s SER 414 Ca 0.43 -0.66 0.28 0.00 0.48 0.00 0.00 55.95 56.48 3fg0 s SER 414 Cb 0.12 0.69 1.00 0.00 0.10 0.00 0.00 66.02 67.92 3fg0 s SER 414 CO -0.03 -1.28 1.75 2.30 0.98 0.00 0.00 173.24 176.96 3fg0 n ILE 415 N -0.43 0.00 -2.94 -1.02 -5.35 -1.26 -4.91 119.36 103.44 3fg0 n ILE 415 Ca -0.04 -0.01 -0.21 0.00 -0.27 0.00 0.00 62.75 62.22 3fg0 n ILE 415 Cb 0.60 -0.16 0.07 0.00 -1.74 0.00 0.00 39.64 38.41 3fg0 n ILE 415 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 3fg0 s TYR 416 N -2.87 1.36 -0.25 4.28 2.02 -1.26 -0.93 117.35 119.69 3fg0 s TYR 416 Ca 0.17 -0.65 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 3fg0 s TYR 416 Cb 0.19 -2.37 0.07 0.00 -0.40 0.00 0.00 41.96 39.45 3fg0 s TYR 416 CO 0.57 -1.32 0.96 0.41 -1.57 0.00 0.00 175.55 174.60 3fg0 n GLY 417 N -2.39 -0.61 0.07 0.71 0.00 -1.22 -4.72 105.19 97.01 3fg0 n GLY 417 Ca 0.16 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 46.12 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 0.91 0.00 -7.33 0.99 5.85 -1.81 -0.29 115.31 113.63 3fg0 h LEU 418 Ca -0.44 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 3fg0 h LEU 418 Cb 1.19 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 42.10 3fg0 h LEU 418 CO -0.16 0.70 0.01 0.00 -0.34 0.00 0.00 178.44 178.64 3fg0 s ALA 419 N -2.72 -1.09 0.09 1.25 0.00 -1.26 -2.01 121.76 116.02 3fg0 s ALA 419 Ca -0.12 0.06 -0.26 0.00 0.00 0.00 0.00 51.96 51.63 3fg0 s ALA 419 Cb 0.02 0.76 0.09 0.00 0.00 0.00 0.00 23.12 23.99 3fg0 s ALA 419 CO 0.18 -0.70 1.10 0.20 0.00 0.00 0.00 175.76 176.55 3fg0 s GLY 420 N -2.80 -0.23 0.09 0.00 0.00 -0.67 -3.76 107.32 99.95 3fg0 s GLY 420 Ca 0.03 0.22 0.05 0.00 0.00 0.00 0.00 44.72 45.02 3fg0 s GLY 420 CO -0.11 0.76 -0.13 0.00 0.00 0.00 0.00 173.10 173.62 3fg0 s ALA 421 N -2.75 1.20 -0.10 3.20 0.00 0.14 -0.60 121.76 122.85 3fg0 s ALA 421 Ca 0.15 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.04 3fg0 s ALA 421 Cb 0.01 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.08 3fg0 s ALA 421 CO 0.01 0.10 -0.14 0.08 0.00 0.00 0.00 175.76 175.81 3fg0 s VAL 422 N -1.69 1.37 -0.23 0.00 1.01 0.19 -0.91 120.40 120.14 3fg0 s VAL 422 Ca 0.01 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 3fg0 s VAL 422 Cb -0.08 -1.27 -0.00 0.00 0.00 0.00 0.00 36.38 35.03 3fg0 s VAL 422 CO 0.02 0.42 -0.04 -0.36 0.00 0.00 0.00 175.10 175.14 3fg0 s PHE 423 N 1.03 2.98 -0.27 5.22 0.08 0.11 -0.69 117.98 126.43 3fg0 s PHE 423 Ca -0.06 -0.99 -0.25 0.00 0.12 0.00 0.00 56.93 55.75 3fg0 s PHE 423 Cb -0.15 -2.11 0.13 0.00 -0.57 0.00 0.00 43.02 40.32 3fg0 s PHE 423 CO -0.02 -0.56 1.08 0.45 -0.10 0.00 0.00 175.22 176.07 3fg0 s SER 424 N 1.47 -0.40 0.24 1.36 0.15 -1.26 -1.50 113.70 113.76 3fg0 s SER 424 Ca 0.05 0.74 0.25 0.00 0.70 0.00 0.00 55.95 57.70 3fg0 s SER 424 Cb -0.15 0.74 0.89 0.00 -1.71 0.00 0.00 66.02 65.80 3fg0 s SER 424 CO -0.03 -0.15 1.75 0.29 1.20 0.00 0.00 173.24 176.30 3fg0 n LYS 425 N 2.02 0.24 -2.77 5.44 5.02 -0.15 -4.36 118.16 123.61 3fg0 n LYS 425 Ca -0.12 0.31 -0.43 0.00 -2.02 0.00 0.00 58.31 56.06 3fg0 n LYS 425 Cb 0.56 -1.85 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 3fg0 n LYS 425 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fg0 s ASP 426 N -4.46 6.50 0.32 4.39 -1.08 -1.26 -4.87 116.67 116.21 3fg0 s ASP 426 Ca 0.08 -1.62 0.02 0.00 -0.52 0.00 0.00 52.55 50.50 3fg0 s ASP 426 Cb 0.11 -2.47 0.53 0.00 -1.46 0.00 0.00 42.92 39.63 3fg0 s ASP 426 CO 0.51 -1.30 1.87 0.40 0.52 0.00 0.00 175.17 177.16 3fg0 h ILE 427 N 6.19 1.20 -0.47 4.11 1.08 -2.00 -1.64 117.51 125.99 3fg0 h ILE 427 Ca 0.09 -0.76 0.04 0.00 -0.39 0.00 0.00 64.86 63.85 3fg0 h ILE 427 Cb 1.03 0.80 -0.04 0.00 -3.07 0.00 0.00 36.82 35.53 3fg0 h ILE 427 CO 1.24 0.27 0.22 1.23 -0.69 0.00 0.00 178.15 180.42 3fg0 h GLY 428 N 0.88 0.65 0.96 5.37 0.00 -1.95 0.23 103.07 109.21 3fg0 h GLY 428 Ca 0.14 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.24 3fg0 h GLY 428 CO 0.00 0.09 -0.06 1.70 0.00 0.00 0.00 176.54 178.27 3fg0 h LYS 429 N 0.44 0.74 -1.00 4.80 3.64 -1.86 -1.50 116.57 121.83 3fg0 h LYS 429 Ca 0.21 -0.27 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 3fg0 h LYS 429 Cb 0.14 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 31.83 3fg0 h LYS 429 CO -0.16 0.86 0.64 0.00 -2.27 0.00 0.00 179.45 178.51 3fg0 h ALA 430 N 0.85 1.42 -0.32 5.00 0.00 -0.82 -1.20 119.26 124.21 3fg0 h ALA 430 Ca 0.10 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 430 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fg0 h ALA 430 CO 0.03 0.36 -0.40 1.96 0.00 0.00 0.00 179.25 181.21 3fg0 h GLN 431 N 1.11 0.76 -0.57 0.00 4.20 -0.71 -0.38 115.11 119.51 3fg0 h GLN 431 Ca 0.45 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3fg0 h GLN 431 Cb 0.28 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 3fg0 h GLN 431 CO -0.20 1.02 0.37 0.00 -0.67 0.00 0.00 178.83 179.35 3fg0 h ARG 432 N 0.63 0.75 -0.31 1.46 3.08 -0.60 -1.90 114.38 117.48 3fg0 h ARG 432 Ca 0.05 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3fg0 h ARG 432 Cb 0.95 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.83 3fg0 h ARG 432 CO 0.09 0.50 -0.09 0.28 -1.07 0.00 0.00 179.97 179.68 3fg0 h VAL 433 N 0.77 1.28 -0.74 2.04 2.07 -1.10 -2.82 116.25 117.75 3fg0 h VAL 433 Ca 0.21 -1.15 0.07 0.00 0.82 0.00 0.00 66.70 66.65 3fg0 h VAL 433 Cb -0.08 1.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3fg0 h VAL 433 CO -0.04 0.37 0.48 0.00 0.02 0.00 0.00 177.57 178.40 3fg0 h ALA 434 N 0.79 1.73 0.00 1.67 0.00 -0.85 -0.44 119.26 122.15 3fg0 h ALA 434 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3fg0 h ALA 434 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3fg0 h ALA 434 CO 0.03 0.14 -0.30 -0.91 0.00 0.00 0.00 179.25 178.22 3fg0 h ASN 435 N 0.73 0.00 0.18 0.00 2.35 -1.10 -3.13 115.58 114.61 3fg0 h ASN 435 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3fg0 h ASN 435 Cb 0.32 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.69 3fg0 h ASN 435 CO -0.11 0.30 -0.91 0.29 -1.65 0.00 0.00 177.43 175.35 3fg0 n LYS 436 N -3.64 0.06 -2.64 0.81 4.76 -0.24 -4.91 118.16 112.36 3fg0 n LYS 436 Ca -0.01 -0.01 -0.42 0.00 -2.87 0.00 0.00 58.31 55.00 3fg0 n LYS 436 Cb 0.42 -1.51 -0.03 0.00 -1.84 0.00 0.00 35.03 32.07 3fg0 n LYS 436 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fg0 s LEU 437 N -3.15 4.34 -1.29 -0.35 1.43 -0.84 -4.95 118.68 113.87 3fg0 s LEU 437 Ca 0.08 1.71 -0.13 0.00 -1.03 0.00 0.00 54.13 54.75 3fg0 s LEU 437 Cb 0.16 -3.57 0.13 0.00 0.03 0.00 0.00 46.19 42.94 3fg0 s LEU 437 CO 0.82 -0.35 1.77 0.29 0.23 0.00 0.00 176.35 179.11 3fg0 n LYS 438 N 4.18 3.32 -3.99 1.70 4.76 -1.26 -4.90 118.16 121.97 3fg0 n LYS 438 Ca 0.07 -3.42 -0.12 0.00 -2.87 0.00 0.00 58.31 51.97 3fg0 n LYS 438 Cb 0.50 -3.15 -0.13 0.00 -1.84 0.00 0.00 35.03 30.41 3fg0 n LYS 438 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3fg0 s LEU 439 N 1.75 2.09 0.34 -0.35 1.43 -1.26 -4.42 118.68 118.25 3fg0 s LEU 439 Ca 0.45 -0.21 0.10 0.00 -1.03 0.00 0.00 54.13 53.44 3fg0 s LEU 439 Cb 0.05 -0.06 0.61 0.00 0.03 0.00 0.00 46.19 46.82 3fg0 s LEU 439 CO 0.00 -0.08 1.78 1.23 0.23 0.00 0.00 176.35 179.51 3fg0 h GLY 440 N 5.55 0.11 -6.34 -3.19 0.00 -0.90 -3.43 103.07 94.87 3fg0 h GLY 440 Ca -0.28 -0.10 -0.40 0.00 0.00 0.00 0.00 47.33 46.55 3fg0 h GLY 440 CO 0.47 0.09 -0.77 -1.59 0.00 0.00 0.00 176.54 174.74 3fg0 s THR 441 N -4.18 0.46 -0.11 4.70 2.01 -0.88 -4.80 115.64 112.84 3fg0 s THR 441 Ca -0.03 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.93 3fg0 s THR 441 Cb 0.14 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 72.15 3fg0 s THR 441 CO 0.74 0.22 -0.18 -0.69 -0.69 0.00 0.00 174.62 174.02 3fg0 s VAL 442 N 1.05 1.68 -0.16 3.82 1.01 -1.26 -1.67 120.40 124.88 3fg0 s VAL 442 Ca -0.09 -0.76 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3fg0 s VAL 442 Cb -0.14 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3fg0 s VAL 442 CO -0.01 0.48 0.12 0.26 0.00 0.00 0.00 175.10 175.95 3fg0 s TRP 443 N 0.83 3.48 -0.31 5.22 0.51 0.23 -4.98 118.94 123.93 3fg0 s TRP 443 Ca -0.09 0.40 -0.10 0.00 -2.12 0.00 0.00 56.10 54.20 3fg0 s TRP 443 Cb -0.16 -2.03 -0.01 0.00 -0.81 0.00 0.00 33.47 30.46 3fg0 s TRP 443 CO 0.00 0.50 0.15 0.42 -0.51 0.00 0.00 176.95 177.52 3fg0 s ILE 444 N -0.36 4.66 -1.42 2.03 1.01 -1.26 -0.64 121.20 125.22 3fg0 s ILE 444 Ca 0.11 -0.36 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 3fg0 s ILE 444 Cb -0.12 -3.36 0.04 0.00 0.01 0.00 0.00 42.46 39.03 3fg0 s ILE 444 CO 0.01 0.09 1.12 0.59 0.00 0.00 0.00 174.94 176.75 3fg0 n ASN 445 N 4.99 -5.82 -3.89 3.58 3.02 0.13 -4.97 115.26 112.30 3fg0 n ASN 445 Ca -0.14 -0.62 -0.07 0.00 -0.03 0.00 0.00 54.58 53.71 3fg0 n ASN 445 Cb 0.49 -4.64 -0.03 0.00 -0.61 0.00 0.00 39.78 34.99 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 -3.33 -0.23 -0.16 6.41 -1.08 -1.26 -5.08 116.67 111.94 3fg0 s ASP 446 Ca 0.61 -0.67 -0.09 0.00 -0.52 0.00 0.00 52.55 51.88 3fg0 s ASP 446 Cb -0.28 0.70 0.06 0.00 -1.46 0.00 0.00 42.92 41.93 3fg0 s ASP 446 CO 0.76 -1.31 0.39 0.12 0.52 0.00 0.00 175.17 175.66 3fg0 s PHE 447 N -3.94 -0.56 0.00 -5.34 5.36 -1.26 -4.72 117.98 107.52 3fg0 s PHE 447 Ca 0.13 1.21 0.00 0.00 -0.96 0.00 0.00 56.93 57.32 3fg0 s PHE 447 Cb -0.05 0.23 0.00 0.00 -0.34 0.00 0.00 43.02 42.86 3fg0 s PHE 447 CO 0.07 -0.32 0.00 0.72 -1.46 0.00 0.00 175.22 174.23 3fg0 n HIS 448 N 4.19 0.00 -1.73 10.12 8.25 -1.26 -4.92 115.22 129.87 3fg0 n HIS 448 Ca -0.23 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.81 3fg0 n HIS 448 Cb 0.55 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.63 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 -0.96 4.13 0.03 -0.41 0.02 -1.26 -4.99 135.00 131.56 3fg0 s PRO 449 Ca 0.00 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.62 3fg0 s PRO 449 Cb 0.00 -3.25 -0.02 0.00 0.02 0.00 0.00 34.50 31.24 3fg0 s PRO 449 CO 0.00 -0.78 -0.04 1.52 -0.33 0.00 0.00 177.00 177.37 3fg0 s TYR 450 N 1.72 0.37 0.13 6.54 -0.85 -1.26 -5.06 117.35 118.93 3fg0 s TYR 450 Ca 0.77 -0.64 -0.24 0.00 -0.52 0.00 0.00 57.07 56.44 3fg0 s TYR 450 Cb -0.48 -0.26 0.07 0.00 0.38 0.00 0.00 41.96 41.67 3fg0 s TYR 450 CO 0.34 -0.21 0.61 -0.59 -1.52 0.00 0.00 175.55 174.17 3fg0 s PHE 451 N -1.96 -0.55 0.57 -3.49 -0.12 -1.26 -5.05 117.98 106.12 3fg0 s PHE 451 Ca -0.10 0.45 0.26 0.00 -0.05 0.00 0.00 56.93 57.48 3fg0 s PHE 451 Cb -0.06 0.53 1.56 0.00 -0.63 0.00 0.00 43.02 44.42 3fg0 s PHE 451 CO -0.03 -0.81 2.11 0.00 -0.05 0.00 0.00 175.22 176.44 3fg0 h ALA 452 N 2.16 1.93 0.00 1.99 0.00 -1.93 -1.94 119.26 121.47 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 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fg0 h ALA 452 CO 0.38 -0.28 0.00 1.96 0.00 0.00 0.00 179.25 181.31 3fg0 h GLN 453 N 0.00 0.00 -5.77 0.00 7.50 -1.95 0.22 115.11 115.11 3fg0 h GLN 453 Ca 0.09 0.00 -0.58 0.00 0.50 0.00 0.00 58.65 58.67 3fg0 h GLN 453 Cb 0.45 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 27.69 3fg0 h GLN 453 CO -0.00 0.00 -0.84 0.00 -1.50 0.00 0.00 178.83 176.48 3fg0 s ALA 454 N -3.42 1.59 0.50 3.87 0.00 -0.73 -4.52 121.76 119.05 3fg0 s ALA 454 Ca 0.04 -0.81 -0.22 0.00 0.00 0.00 0.00 51.96 50.98 3fg0 s ALA 454 Cb 0.09 -0.43 -0.06 0.00 0.00 0.00 0.00 23.12 22.72 3fg0 s ALA 454 CO 0.54 0.37 1.18 -1.25 0.00 0.00 0.00 175.76 176.61 3fg0 s PRO 455 N -0.37 3.53 -0.04 0.00 0.04 -1.25 -4.03 135.00 132.87 3fg0 s PRO 455 Ca 0.05 1.80 0.02 0.00 0.04 0.00 0.00 61.00 62.92 3fg0 s PRO 455 Cb -0.08 -2.26 0.01 0.00 0.04 0.00 0.00 34.50 32.20 3fg0 s PRO 455 CO -0.00 -0.75 -0.10 -0.46 0.04 0.00 0.00 177.00 175.73 3fg0 s TRP 456 N -1.57 1.12 0.00 0.56 -0.11 0.67 -4.91 118.94 114.70 3fg0 s TRP 456 Ca 0.68 -0.33 0.00 0.00 1.22 0.00 0.00 56.10 57.66 3fg0 s TRP 456 Cb -0.29 -0.83 0.00 0.00 -1.50 0.00 0.00 33.47 30.85 3fg0 s TRP 456 CO 0.34 -0.17 0.00 0.41 -4.62 0.00 0.00 176.95 172.92 3fg0 n GLY 457 N 3.54 -0.31 3.52 5.86 0.00 -1.26 -1.08 105.19 115.46 3fg0 n GLY 457 Ca -0.21 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.35 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 0.64 -0.02 0.00 -1.26 -3.64 107.32 104.76 3fg0 s GLY 458 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 44.72 43.18 3fg0 s GLY 458 CO 0.00 -1.46 0.99 -0.19 0.00 0.00 0.00 173.10 172.44 3fg0 s TYR 459 N -1.50 3.27 0.00 1.90 4.12 -0.16 -4.09 117.35 120.89 3fg0 s TYR 459 Ca 0.22 0.81 0.00 0.00 0.02 0.00 0.00 57.07 58.11 3fg0 s TYR 459 Cb -0.09 -2.90 0.00 0.00 -1.52 0.00 0.00 41.96 37.45 3fg0 s TYR 459 CO 0.12 -1.00 0.00 1.63 0.02 0.00 0.00 175.55 176.32 3fg0 n LYS 460 N -2.78 0.00 -0.01 -0.62 5.02 -1.26 -2.25 118.16 116.25 3fg0 n LYS 460 Ca 0.06 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.47 3fg0 n LYS 460 Cb 0.58 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 36.22 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 1.19 0.00 1.97 6.02 -0.11 -3.40 117.38 137.06 3fg0 n GLN 461 Ca 0.00 -0.29 0.11 0.00 -0.01 0.00 0.00 57.00 56.81 3fg0 n GLN 461 Cb 0.00 -1.39 0.50 0.00 1.02 0.00 0.00 30.24 30.37 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 -0.56 0.00 0.00 1.08 7.64 -0.96 -4.68 113.62 116.14 3fg0 n SER 462 Ca 0.18 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.54 3fg0 n SER 462 Cb 0.15 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 0.91 -1.64 2.80 0.23 0.00 -1.22 -0.39 105.19 105.89 3fg0 n GLY 463 Ca 0.06 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.58 0.21 0.00 -0.61 1.01 -0.37 -4.67 121.20 114.18 3fg0 s ILE 464 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 60.65 60.76 3fg0 s ILE 464 Cb 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.15 3fg0 s ILE 464 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3fg0 n GLY 465 N 4.40 -2.45 3.15 6.18 0.00 -1.26 -0.66 105.19 114.55 3fg0 n GLY 465 Ca -0.21 -1.67 -0.14 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.49 0.78 0.22 1.61 1.81 -1.26 -4.31 118.95 117.30 3fg0 s ARG 466 Ca 0.00 -1.09 0.12 0.00 -1.72 0.00 0.00 55.73 53.03 3fg0 s ARG 466 Cb 0.00 -0.44 -0.05 0.00 -0.45 0.00 0.00 34.95 34.01 3fg0 s ARG 466 CO 0.00 0.06 -0.23 -1.21 -0.68 0.00 0.00 175.30 173.25 3fg0 s GLU 467 N -2.66 1.57 0.29 3.54 2.02 -0.24 -4.16 118.70 119.07 3fg0 s GLU 467 Ca 0.03 -1.60 0.00 0.00 0.02 0.00 0.00 54.97 53.42 3fg0 s GLU 467 Cb -0.03 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.37 3fg0 s GLU 467 CO -0.01 0.38 0.00 1.28 0.02 0.00 0.00 175.26 176.93 3fg0 n LEU 468 N -0.01 -0.52 0.00 1.80 4.77 -1.26 -0.24 117.00 121.53 3fg0 n LEU 468 Ca -0.10 1.16 0.04 0.00 -0.03 0.00 0.00 56.01 57.08 3fg0 n LEU 468 Cb 0.57 -1.36 -0.01 0.00 -2.33 0.00 0.00 43.42 40.29 3fg0 n LEU 468 CO 0.32 -0.92 -0.06 0.61 -1.33 0.00 0.00 177.39 176.01 3fg0 n GLY 469 N -2.96 -1.87 0.28 -0.72 0.00 0.77 -1.11 105.19 99.57 3fg0 n GLY 469 Ca -0.04 -1.31 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 0.72 -0.50 1.61 1.57 -1.85 -2.52 116.57 115.60 3fg0 h LYS 470 Ca 0.01 -0.19 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3fg0 h LYS 470 Cb 0.30 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.50 3fg0 h LYS 470 CO 0.00 0.75 0.22 0.93 -0.57 0.00 0.00 179.45 180.78 3fg0 h GLU 471 N 0.67 0.70 -0.62 3.15 5.08 -1.96 -1.63 114.58 119.98 3fg0 h GLU 471 Ca 0.13 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3fg0 h GLU 471 Cb 0.44 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fg0 h GLU 471 CO 0.02 0.57 0.02 0.78 -1.00 0.00 0.00 179.01 179.40 3fg0 h GLY 472 N 0.83 1.15 1.19 -3.84 0.00 -0.70 -2.53 103.07 99.16 3fg0 h GLY 472 Ca 0.17 -0.82 -0.03 0.00 0.00 0.00 0.00 47.33 46.65 3fg0 h GLY 472 CO -0.02 0.76 0.33 -2.00 0.00 0.00 0.00 176.54 175.61 3fg0 h LEU 473 N 0.98 0.95 -2.11 3.11 5.85 -1.13 -2.83 115.31 120.13 3fg0 h LEU 473 Ca 0.18 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3fg0 h LEU 473 Cb 0.53 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3fg0 h LEU 473 CO 0.03 0.82 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.54 3fg0 h GLU 474 N 1.04 0.00 -0.10 1.25 5.08 -0.88 -0.30 114.58 120.66 3fg0 h GLU 474 Ca 0.25 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.64 3fg0 h GLU 474 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3fg0 h GLU 474 CO -0.03 0.07 0.08 0.93 -1.00 0.00 0.00 179.01 179.06 3fg0 h GLU 475 N 0.00 0.00 -0.67 2.33 4.39 -1.35 -2.29 114.58 117.00 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 0.26 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.91 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 -4.36 1.25 -4.36 4.33 4.01 -0.13 -4.87 117.16 113.03 3fg0 n TYR 476 Ca -0.00 -0.53 -0.23 0.00 -0.16 0.00 0.00 57.90 56.98 3fg0 n TYR 476 Cb 0.20 -0.15 -0.11 0.00 -0.31 0.00 0.00 39.34 38.96 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 -1.49 2.46 -0.00 7.72 1.43 -0.86 -1.18 118.68 126.75 3fg0 s LEU 477 Ca 0.48 -0.89 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 3fg0 s LEU 477 Cb 0.29 -0.92 -0.01 0.00 0.03 0.00 0.00 46.19 45.58 3fg0 s LEU 477 CO 0.26 -0.00 -0.10 0.54 0.23 0.00 0.00 176.35 177.29 3fg0 s VAL 478 N -2.05 0.76 0.02 -1.59 0.11 0.10 -4.59 120.40 113.16 3fg0 s VAL 478 Ca 0.18 -0.44 -0.18 0.00 -2.93 0.00 0.00 61.98 58.61 3fg0 s VAL 478 Cb -0.06 -0.64 -0.06 0.00 -1.53 0.00 0.00 36.38 34.09 3fg0 s VAL 478 CO 0.08 0.19 0.51 -0.44 -3.33 0.00 0.00 175.10 172.11 3fg0 s SER 479 N -0.29 6.93 -0.12 3.54 0.01 -1.26 -0.91 113.70 121.61 3fg0 s SER 479 Ca 0.03 1.11 0.00 0.00 1.31 0.00 0.00 55.95 58.40 3fg0 s SER 479 Cb -0.04 -2.32 0.02 0.00 0.21 0.00 0.00 66.02 63.90 3fg0 s SER 479 CO -0.00 0.24 -0.10 -0.75 0.41 0.00 0.00 173.24 173.03 3fg0 s LYS 480 N -0.79 1.78 -0.37 12.44 2.20 -0.36 -4.98 119.74 129.66 3fg0 s LYS 480 Ca 0.27 -0.37 -0.22 0.00 -0.36 0.00 0.00 55.97 55.30 3fg0 s LYS 480 Cb -0.18 -1.71 0.01 0.00 -1.51 0.00 0.00 37.83 34.44 3fg0 s LYS 480 CO 0.16 -0.21 0.70 -1.58 -0.36 0.00 0.00 175.35 174.06 3fg0 s HIS 481 N 1.49 3.12 -0.28 4.03 5.65 -1.26 -0.54 115.29 127.50 3fg0 s HIS 481 Ca 0.02 0.39 -0.07 0.00 0.25 0.00 0.00 55.06 55.64 3fg0 s HIS 481 Cb -0.13 -3.29 -0.01 0.00 -1.18 0.00 0.00 32.58 27.97 3fg0 s HIS 481 CO -0.07 -0.71 0.08 0.42 -0.65 0.00 0.00 174.74 173.81 3fg0 s ILE 482 N 2.91 4.17 -0.21 0.89 1.01 -0.13 -4.98 121.20 124.85 3fg0 s ILE 482 Ca 0.27 -0.45 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 3fg0 s ILE 482 Cb -0.14 -3.06 0.01 0.00 0.01 0.00 0.00 42.46 39.29 3fg0 s ILE 482 CO 0.16 0.19 -0.12 -0.22 0.00 0.00 0.00 174.94 174.95 3fg0 s LEU 483 N 1.56 2.65 -0.22 2.97 2.96 -1.26 -1.76 118.68 125.57 3fg0 s LEU 483 Ca 0.04 -0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 3fg0 s LEU 483 Cb -0.16 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 3fg0 s LEU 483 CO 0.03 -0.04 0.05 -0.89 -1.32 0.00 0.00 176.35 174.18 3fg0 s THR 484 N 1.35 4.36 -0.48 3.68 2.01 0.08 -4.96 115.64 121.67 3fg0 s THR 484 Ca 0.04 -0.17 -0.24 0.00 0.31 0.00 0.00 61.69 61.63 3fg0 s THR 484 Cb -0.14 -3.00 0.03 0.00 0.01 0.00 0.00 72.50 69.40 3fg0 s THR 484 CO -0.08 0.40 0.86 0.21 -0.69 0.00 0.00 174.62 175.32 3fg0 s ASN 485 N 1.09 6.41 0.00 3.53 3.84 -1.26 -0.51 114.94 128.04 3fg0 s ASN 485 Ca 0.04 -0.14 0.28 0.00 0.21 0.00 0.00 52.86 53.25 3fg0 s ASN 485 Cb -0.14 -2.41 1.04 0.00 -0.55 0.00 0.00 41.25 39.18 3fg0 s ASN 485 CO 0.03 -1.04 1.74 0.35 -2.79 0.00 0.00 177.10 175.39 3fg0 n THR 486 N 6.22 0.00 -3.10 -5.21 -2.24 -0.28 -4.06 114.28 105.61 3fg0 n THR 486 Ca 0.03 -0.09 -0.19 0.00 -2.27 0.00 0.00 64.05 61.53 3fg0 n THR 486 Cb 0.48 0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.81 -0.19 -4.74 3.42 5.15 -1.23 -5.04 115.26 111.83 3fg0 n ASN 487 Ca 0.14 -2.93 -0.41 0.00 -0.60 0.00 0.00 54.58 50.77 3fg0 n ASN 487 Cb 0.31 -0.15 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 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 -1.21 4.33 0.06 1.20 0.04 -1.26 -5.02 135.00 133.14 3fg0 s PRO 488 Ca 0.35 2.16 0.06 0.00 0.04 0.00 0.00 61.00 63.61 3fg0 s PRO 488 Cb 0.24 -3.17 -0.03 0.00 0.04 0.00 0.00 34.50 31.58 3fg0 s PRO 488 CO -0.11 -0.36 -0.16 -0.65 0.04 0.00 0.00 177.00 175.76 3fg0 s GLN 489 N 0.03 0.96 0.41 4.56 -1.52 -1.26 -5.13 119.66 117.71 3fg0 s GLN 489 Ca 0.59 -0.92 -0.27 0.00 -1.95 0.00 0.00 55.36 52.82 3fg0 s GLN 489 Cb -0.39 -1.02 -0.09 0.00 -0.22 0.00 0.00 33.01 31.29 3fg0 s GLN 489 CO 0.38 0.24 1.43 -0.51 -0.25 0.00 0.00 175.29 176.59 3fg0 s LEU 490 N -1.52 4.22 0.04 2.90 1.02 -1.26 -4.92 118.68 119.16 3fg0 s LEU 490 Ca 0.01 2.94 -0.09 0.00 0.02 0.00 0.00 54.13 57.01 3fg0 s LEU 490 Cb -0.09 -3.81 -0.31 0.00 0.02 0.00 0.00 46.19 41.99 3fg0 s LEU 490 CO 0.02 -1.00 1.02 0.58 0.02 0.00 0.00 176.35 177.00 3fg0 h VAL 491 N 2.62 1.34 -5.86 -1.59 2.07 -2.01 -3.48 116.25 109.33 3fg0 h VAL 491 Ca -0.51 -2.86 -0.39 0.00 0.82 0.00 0.00 66.70 63.77 3fg0 h VAL 491 Cb 1.25 2.95 0.12 0.00 -1.52 0.00 0.00 31.29 34.09 3fg0 h VAL 491 CO 0.63 0.85 -0.74 0.59 0.02 0.00 0.00 177.57 178.92 3fg0 n ASN 492 N -3.60 -4.14 0.10 0.57 3.02 -1.26 -4.92 115.26 105.03 3fg0 n ASN 492 Ca -0.14 -0.63 -0.22 0.00 -0.03 0.00 0.00 54.58 53.56 3fg0 n ASN 492 Cb 1.06 -4.82 -0.15 0.00 -0.61 0.00 0.00 39.78 35.27 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 -2.27 0.83 -3.14 3.10 2.91 -2.03 -3.45 115.95 111.89 3fg0 h TRP 493 Ca -0.58 -0.58 -0.60 0.00 1.13 0.00 0.00 58.89 58.26 3fg0 h TRP 493 Cb 1.36 -0.04 -0.07 0.00 -0.51 0.00 0.00 29.16 29.89 3fg0 h TRP 493 CO 0.48 1.44 -0.23 -0.06 -1.03 0.00 0.00 178.44 179.04 3fg0 s PHE 494 N -2.65 3.60 0.54 2.65 0.08 -1.26 -5.04 117.98 115.90 3fg0 s PHE 494 Ca -0.11 0.85 -0.20 0.00 0.12 0.00 0.00 56.93 57.59 3fg0 s PHE 494 Cb 0.03 -2.35 -0.07 0.00 -0.57 0.00 0.00 43.02 40.06 3fg0 s PHE 494 CO 0.90 0.43 0.91 0.43 -0.10 0.00 0.00 175.22 177.79 3fg0 n SER 495 N 2.73 0.66 -0.16 1.36 7.64 -1.26 -5.16 113.62 119.43 3fg0 n SER 495 Ca -0.12 0.87 0.15 0.00 1.01 0.00 0.00 58.87 60.78 3fg0 n SER 495 Cb 0.52 -1.35 0.81 0.00 -1.01 0.00 0.00 64.21 63.18 3fg0 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32