#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 -0.00 1.69 4.64 -2.03 -2.02 113.55 115.82 3fg0 h SER -2 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3fg0 h SER -2 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3fg0 h SER -2 CO 0.00 0.27 -0.13 0.78 -0.87 0.00 0.00 176.83 176.88 3fg0 h ASN -1 N 0.00 0.27 -0.44 4.97 4.21 -2.03 -1.35 115.58 121.20 3fg0 h ASN -1 Ca -0.00 -0.06 -0.14 0.00 1.21 0.00 0.00 56.30 57.31 3fg0 h ASN -1 Cb 0.51 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.63 3fg0 h ASN -1 CO 0.04 0.43 -0.25 0.00 -1.29 0.00 0.00 177.43 176.35 3fg0 h ALA 0 N 1.60 0.69 -0.28 -0.83 0.00 -1.76 -2.94 119.26 115.74 3fg0 h ALA 0 Ca 0.05 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fg0 h ALA 0 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3fg0 h ALA 0 CO 0.02 0.67 0.17 0.52 0.00 0.00 0.00 179.25 180.64 3fg0 h MET 1 N 0.83 0.37 -0.33 0.00 2.86 -0.89 -0.71 114.93 117.05 3fg0 h MET 1 Ca 0.10 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 3fg0 h MET 1 Cb 0.83 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 3fg0 h MET 1 CO 0.07 0.25 0.06 0.93 1.06 0.00 0.00 176.91 179.28 3fg0 h GLU 2 N 0.38 0.49 -0.15 1.72 4.39 -1.10 -1.94 114.58 118.36 3fg0 h GLU 2 Ca 0.10 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 3fg0 h GLU 2 Cb -0.03 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.53 3fg0 h GLU 2 CO -0.02 0.47 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.19 3fg0 h LEU 3 N 0.48 0.21 -1.79 1.33 3.38 -1.08 -1.75 115.31 116.08 3fg0 h LEU 3 Ca 0.11 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3fg0 h LEU 3 Cb 0.23 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3fg0 h LEU 3 CO 0.00 0.29 -0.08 -0.07 0.09 0.00 0.00 178.44 178.67 3fg0 h LEU 4 N 0.22 0.00 -2.61 1.67 3.38 -1.31 -2.65 115.31 114.02 3fg0 h LEU 4 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3fg0 h LEU 4 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 3fg0 h LEU 4 CO 0.01 0.08 -0.01 0.11 0.09 0.00 0.00 178.44 178.72 3fg0 h LYS 5 N 0.00 0.00 -0.06 1.13 1.57 -1.36 -2.77 116.57 115.08 3fg0 h LYS 5 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fg0 h LYS 5 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3fg0 h LYS 5 CO 0.01 0.01 0.00 0.72 -0.57 0.00 0.00 179.45 179.62 3fg0 n HIS 6 N -3.20 0.07 -2.97 -1.35 8.25 -1.00 -5.04 115.22 109.98 3fg0 n HIS 6 Ca -0.02 -0.30 -0.39 0.00 -0.26 0.00 0.00 57.72 56.74 3fg0 n HIS 6 Cb 0.12 -0.03 -0.06 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.70 4.59 0.60 2.41 2.96 -1.05 -5.03 118.68 122.46 3fg0 s LEU 7 Ca 0.05 1.66 -0.18 0.00 -0.22 0.00 0.00 54.13 55.43 3fg0 s LEU 7 Cb 0.03 -3.32 -0.03 0.00 0.50 0.00 0.00 46.19 43.37 3fg0 s LEU 7 CO 0.04 0.20 1.19 -0.44 -1.32 0.00 0.00 176.35 176.02 3fg0 s SER 8 N -1.16 5.20 -0.01 3.68 0.01 -1.26 -4.94 113.70 115.22 3fg0 s SER 8 Ca 0.36 2.32 0.07 0.00 1.31 0.00 0.00 55.95 60.01 3fg0 s SER 8 Cb -0.23 -2.59 0.20 0.00 0.21 0.00 0.00 66.02 63.60 3fg0 s SER 8 CO 0.26 -1.58 1.16 0.00 0.41 0.00 0.00 173.24 173.49 3fg0 n GLN 9 N -1.68 2.90 -4.41 12.44 6.02 -1.26 -4.98 117.38 126.40 3fg0 n GLN 9 Ca 0.13 -1.87 -0.27 0.00 -0.01 0.00 0.00 57.00 54.98 3fg0 n GLN 9 Cb 0.50 -1.18 -0.09 0.00 1.02 0.00 0.00 30.24 30.49 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 -1.06 2.10 0.74 -1.09 0.52 -1.26 -0.62 118.95 118.27 3fg0 s ARG 10 Ca 0.15 -2.03 -0.12 0.00 -0.52 0.00 0.00 55.73 53.21 3fg0 s ARG 10 Cb 0.08 -1.78 0.03 0.00 0.52 0.00 0.00 34.95 33.80 3fg0 s ARG 10 CO 0.10 -0.13 1.11 -0.65 0.02 0.00 0.00 175.30 175.75 3fg0 s GLN 11 N -3.83 2.60 -0.23 3.54 -0.21 -0.31 -4.82 119.66 116.40 3fg0 s GLN 11 Ca 0.34 0.42 -0.01 0.00 0.02 0.00 0.00 55.36 56.14 3fg0 s GLN 11 Cb 0.06 -2.00 0.06 0.00 1.00 0.00 0.00 33.01 32.14 3fg0 s GLN 11 CO 0.18 -1.21 -0.00 -0.47 -2.12 0.00 0.00 175.29 171.67 3fg0 s TYR 12 N -3.37 1.84 -0.06 0.91 5.04 -0.23 -0.05 117.35 121.43 3fg0 s TYR 12 Ca 0.59 -1.43 0.00 0.00 -2.44 0.00 0.00 57.07 53.79 3fg0 s TYR 12 Cb -0.11 -1.41 0.02 0.00 0.35 0.00 0.00 41.96 40.81 3fg0 s TYR 12 CO 0.52 -0.72 -0.04 0.42 -1.34 0.00 0.00 175.55 174.39 3fg0 s ILE 13 N 1.58 0.57 -1.40 3.14 1.01 -0.16 0.09 121.20 126.03 3fg0 s ILE 13 Ca -0.02 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.50 3fg0 s ILE 13 Cb -0.18 -0.63 0.03 0.00 0.01 0.00 0.00 42.46 41.69 3fg0 s ILE 13 CO -0.08 0.26 0.74 -0.67 0.00 0.00 0.00 174.94 175.19 3fg0 n ASP 14 N 4.50 -2.19 0.00 3.58 2.03 -1.26 -2.11 116.55 121.10 3fg0 n ASP 14 Ca -0.17 -0.84 0.00 0.00 0.52 0.00 0.00 54.79 54.29 3fg0 n ASP 14 Cb 0.50 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.10 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 -1.67 0.63 3.09 0.27 0.00 -1.26 -4.59 105.19 101.66 3fg0 n GLY 15 Ca -0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.04 0.82 -0.32 1.61 2.02 -0.90 -5.06 118.70 116.83 3fg0 s GLU 16 Ca 0.00 -0.58 -0.29 0.00 0.02 0.00 0.00 54.97 54.12 3fg0 s GLU 16 Cb 0.00 -0.78 0.01 0.00 0.10 0.00 0.00 34.13 33.46 3fg0 s GLU 16 CO 0.00 0.20 1.13 -1.58 0.02 0.00 0.00 175.26 175.03 3fg0 s TRP 17 N -0.65 3.03 0.07 1.61 0.52 -1.26 -0.99 118.94 121.28 3fg0 s TRP 17 Ca 0.01 1.09 0.05 0.00 0.02 0.00 0.00 56.10 57.28 3fg0 s TRP 17 Cb -0.06 -3.78 -0.03 0.00 -1.15 0.00 0.00 33.47 28.44 3fg0 s TRP 17 CO 0.00 -1.01 -0.15 0.14 0.02 0.00 0.00 176.95 175.96 3fg0 s VAL 18 N 3.85 1.16 0.88 4.03 -7.23 0.93 -4.93 120.40 119.09 3fg0 s VAL 18 Ca 0.48 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 59.26 3fg0 s VAL 18 Cb -0.13 -1.10 0.12 0.00 0.56 0.00 0.00 36.38 35.83 3fg0 s VAL 18 CO 0.18 -0.16 1.16 -1.61 -0.31 0.00 0.00 175.10 174.36 3fg0 s GLU 19 N -1.62 1.36 0.52 4.82 2.02 -1.26 -1.16 118.70 123.38 3fg0 s GLU 19 Ca -0.01 0.18 -0.22 0.00 0.02 0.00 0.00 54.97 54.95 3fg0 s GLU 19 Cb -0.10 -1.87 -0.06 0.00 0.10 0.00 0.00 34.13 32.20 3fg0 s GLU 19 CO 0.02 -2.02 1.27 0.45 0.02 0.00 0.00 175.26 175.00 3fg0 n SER 20 N -3.63 2.33 0.11 -0.19 2.88 -1.26 -4.85 113.62 109.01 3fg0 n SER 20 Ca 0.08 0.99 0.17 0.00 -1.33 0.00 0.00 58.87 58.77 3fg0 n SER 20 Cb 0.60 -1.52 0.71 0.00 -0.75 0.00 0.00 64.21 63.24 3fg0 n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3fg0 h ALA 21 N 1.45 2.23 -0.30 -1.46 0.00 -1.94 -0.90 119.26 118.34 3fg0 h ALA 21 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fg0 h ALA 21 Cb 1.31 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3fg0 h ALA 21 CO 0.57 -0.43 0.00 0.27 0.00 0.00 0.00 179.25 179.66 3fg0 n ASN 22 N -4.27 2.93 -1.52 0.00 0.23 -1.26 -4.99 115.26 106.38 3fg0 n ASN 22 Ca 0.05 -2.12 -0.19 0.00 -0.53 0.00 0.00 54.58 51.79 3fg0 n ASN 22 Cb 0.43 -0.24 -0.08 0.00 -2.08 0.00 0.00 39.78 37.80 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 0.28 -1.35 -1.87 -3.83 5.02 -0.34 -4.98 118.16 111.09 3fg0 n LYS 23 Ca 0.12 1.17 -0.34 0.00 -2.02 0.00 0.00 58.31 57.23 3fg0 n LYS 23 Cb 0.46 -5.50 0.04 0.00 -0.02 0.00 0.00 35.03 30.02 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 -2.76 5.09 0.20 4.39 2.47 -1.26 -4.90 114.94 118.16 3fg0 s ASN 24 Ca 0.00 2.20 0.00 0.00 0.42 0.00 0.00 52.86 55.49 3fg0 s ASN 24 Cb 0.00 -2.58 -0.05 0.00 -1.45 0.00 0.00 41.25 37.18 3fg0 s ASN 24 CO 0.00 -1.65 0.07 0.42 -3.72 0.00 0.00 177.10 172.22 3fg0 s THR 25 N -1.96 0.37 -0.01 -5.21 -4.23 -1.26 -1.38 115.64 101.95 3fg0 s THR 25 Ca 0.72 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 59.26 3fg0 s THR 25 Cb -0.25 -2.37 0.01 0.00 1.34 0.00 0.00 72.50 71.22 3fg0 s THR 25 CO 0.37 -0.20 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.64 3fg0 s ARG 26 N -4.04 0.16 -0.09 3.99 3.52 0.13 -4.62 118.95 118.00 3fg0 s ARG 26 Ca 0.32 -0.01 -0.22 0.00 -0.13 0.00 0.00 55.73 55.68 3fg0 s ARG 26 Cb 0.07 -0.21 -0.04 0.00 -1.56 0.00 0.00 34.95 33.21 3fg0 s ARG 26 CO 0.09 -0.01 0.67 -0.51 -0.81 0.00 0.00 175.30 174.72 3fg0 s ASP 27 N 0.26 6.92 -0.08 -2.12 1.01 -1.26 -0.96 116.67 120.44 3fg0 s ASP 27 Ca -0.02 1.10 -0.11 0.00 0.71 0.00 0.00 52.55 54.23 3fg0 s ASP 27 Cb -0.04 -2.39 -0.05 0.00 1.01 0.00 0.00 42.92 41.45 3fg0 s ASP 27 CO -0.01 -0.12 0.26 -0.63 0.21 0.00 0.00 175.17 174.88 3fg0 s ILE 28 N 0.91 5.30 0.10 0.77 -1.09 0.11 -5.00 121.20 122.29 3fg0 s ILE 28 Ca 0.35 0.48 0.07 0.00 -2.23 0.00 0.00 60.65 59.33 3fg0 s ILE 28 Cb -0.17 -3.55 -0.04 0.00 -1.58 0.00 0.00 42.46 37.12 3fg0 s ILE 28 CO 0.16 0.57 -0.12 -0.63 -1.23 0.00 0.00 174.94 173.69 3fg0 s ILE 29 N -0.85 3.22 -0.35 2.92 1.01 -1.26 -0.16 121.20 125.73 3fg0 s ILE 29 Ca 0.18 -1.31 -0.16 0.00 0.00 0.00 0.00 60.65 59.37 3fg0 s ILE 29 Cb -0.14 -2.49 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 3fg0 s ILE 29 CO 0.07 0.13 0.38 0.21 0.00 0.00 0.00 174.94 175.73 3fg0 s ASN 30 N -2.13 6.19 0.29 3.58 3.84 -0.74 -4.80 114.94 121.18 3fg0 s ASN 30 Ca 0.20 -0.23 0.23 0.00 0.21 0.00 0.00 52.86 53.27 3fg0 s ASN 30 Cb -0.11 -2.20 1.08 0.00 -0.55 0.00 0.00 41.25 39.47 3fg0 s ASN 30 CO 0.12 -0.36 1.70 -0.81 -2.79 0.00 0.00 177.10 174.96 3fg0 n PRO 31 N 5.42 0.18 -0.00 0.43 -0.04 -1.26 0.11 135.00 139.83 3fg0 n PRO 31 Ca -0.09 0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 63.83 3fg0 n PRO 31 Cb 0.49 -1.92 0.13 0.00 -0.04 0.00 0.00 33.50 32.16 3fg0 n PRO 31 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 3fg0 h TYR 32 N 0.00 0.63 0.00 0.54 3.20 -1.90 -1.75 116.97 117.70 3fg0 h TYR 32 Ca 0.00 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3fg0 h TYR 32 Cb 0.22 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.35 3fg0 h TYR 32 CO 0.00 0.83 0.00 0.27 -1.64 0.00 0.00 178.16 177.62 3fg0 n ASN 33 N -4.05 0.48 -2.11 -2.11 0.23 -1.06 -3.06 115.26 103.59 3fg0 n ASN 33 Ca -0.01 -1.02 -0.19 0.00 -0.53 0.00 0.00 54.58 52.83 3fg0 n ASN 33 Cb 0.49 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.16 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 -0.01 -1.68 -3.31 -3.83 6.02 0.12 -4.75 117.38 109.94 3fg0 n GLN 34 Ca 0.00 0.97 -0.35 0.00 -0.01 0.00 0.00 57.00 57.61 3fg0 n GLN 34 Cb 0.15 -5.52 -0.06 0.00 1.02 0.00 0.00 30.24 25.83 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 -4.54 4.03 0.01 -1.09 2.02 -1.23 -4.82 118.70 113.09 3fg0 s GLU 35 Ca 0.00 0.56 -0.30 0.00 0.02 0.00 0.00 54.97 55.25 3fg0 s GLU 35 Cb 0.00 -2.92 -0.06 0.00 0.10 0.00 0.00 34.13 31.25 3fg0 s GLU 35 CO 0.00 0.46 1.41 0.08 0.02 0.00 0.00 175.26 177.23 3fg0 s VAL 36 N -1.48 3.64 -0.16 2.63 1.01 -1.26 -1.79 120.40 122.99 3fg0 s VAL 36 Ca 0.39 1.05 0.09 0.00 0.00 0.00 0.00 61.98 63.51 3fg0 s VAL 36 Cb -0.15 -3.67 -0.13 0.00 0.00 0.00 0.00 36.38 32.42 3fg0 s VAL 36 CO 0.19 0.01 0.27 2.30 0.00 0.00 0.00 175.10 177.87 3fg0 n ILE 37 N 4.60 0.00 -3.51 2.22 -5.35 0.78 -4.95 119.36 113.14 3fg0 n ILE 37 Ca 0.13 -0.24 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 3fg0 n ILE 37 Cb 0.43 0.54 -0.03 0.00 -1.74 0.00 0.00 39.64 38.84 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 -2.38 -0.40 -0.07 4.28 5.36 -1.19 -5.01 117.98 118.56 3fg0 s PHE 38 Ca -0.01 0.41 0.02 0.00 -0.96 0.00 0.00 56.93 56.39 3fg0 s PHE 38 Cb 0.06 0.51 0.02 0.00 -0.34 0.00 0.00 43.02 43.27 3fg0 s PHE 38 CO 0.39 -0.54 -0.10 0.99 -1.46 0.00 0.00 175.22 174.50 3fg0 s THR 39 N -2.54 1.05 0.25 0.12 2.01 -1.26 0.04 115.64 115.31 3fg0 s THR 39 Ca 0.01 -0.40 0.08 0.00 0.31 0.00 0.00 61.69 61.70 3fg0 s THR 39 Cb -0.01 -0.99 -0.05 0.00 0.01 0.00 0.00 72.50 71.46 3fg0 s THR 39 CO -0.05 0.34 -0.13 0.68 -0.69 0.00 0.00 174.62 174.78 3fg0 s VAL 40 N 0.92 1.87 0.36 3.82 -7.23 -0.13 -4.81 120.40 115.20 3fg0 s VAL 40 Ca -0.10 -2.22 -0.28 0.00 -1.81 0.00 0.00 61.98 57.57 3fg0 s VAL 40 Cb -0.15 -2.24 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 3fg0 s VAL 40 CO 0.01 -0.45 1.46 -1.20 -0.31 0.00 0.00 175.10 174.61 3fg0 n SER 41 N -0.51 3.61 -4.19 4.85 7.64 0.21 0.20 113.62 125.44 3fg0 n SER 41 Ca -0.07 1.22 -0.37 0.00 1.01 0.00 0.00 58.87 60.66 3fg0 n SER 41 Cb 0.61 -1.59 -0.12 0.00 -1.01 0.00 0.00 64.21 62.10 3fg0 n SER 41 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fg0 s GLU 42 N -1.89 2.33 0.87 1.43 2.56 -0.48 -4.61 118.70 118.91 3fg0 s GLU 42 Ca 0.55 -1.51 -0.11 0.00 0.00 0.00 0.00 54.97 53.90 3fg0 s GLU 42 Cb -0.50 -3.51 0.11 0.00 2.00 0.00 0.00 34.13 32.24 3fg0 s GLU 42 CO 0.62 -0.87 1.09 0.20 -0.56 0.00 0.00 175.26 175.74 3fg0 s GLY 43 N 1.69 1.62 0.43 -1.50 0.00 0.20 -4.34 107.32 105.43 3fg0 s GLY 43 Ca 0.02 -0.09 0.07 0.00 0.00 0.00 0.00 44.72 44.73 3fg0 s GLY 43 CO -0.01 0.38 0.32 -0.51 0.00 0.00 0.00 173.10 173.28 3fg0 s THR 44 N -2.98 2.39 0.28 0.90 -4.23 -1.26 -4.80 115.64 105.93 3fg0 s THR 44 Ca 0.63 -1.48 -0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3fg0 s THR 44 Cb -0.17 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.08 3fg0 s THR 44 CO 0.56 0.00 1.88 0.11 -0.54 0.00 0.00 174.62 176.63 3fg0 h LYS 45 N 1.12 1.06 -0.79 3.99 1.57 -1.95 -1.78 116.57 119.78 3fg0 h LYS 45 Ca -0.41 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.34 3fg0 h LYS 45 Cb 1.27 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.29 3fg0 h LYS 45 CO 0.62 0.70 0.50 1.49 -0.57 0.00 0.00 179.45 182.19 3fg0 h GLU 46 N 1.09 0.93 -0.37 3.15 4.81 -1.97 -0.16 114.58 122.07 3fg0 h GLU 46 Ca 0.43 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 3fg0 h GLU 46 Cb 0.25 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3fg0 h GLU 46 CO -0.18 0.62 0.14 -0.44 -0.73 0.00 0.00 179.01 178.41 3fg0 h ASP 47 N 0.96 0.52 -0.54 1.04 3.32 -1.73 -0.28 116.42 119.71 3fg0 h ASP 47 Ca 0.32 -0.18 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3fg0 h ASP 47 Cb 0.05 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 3fg0 h ASP 47 CO -0.13 0.56 0.35 0.00 -1.72 0.00 0.00 179.24 178.30 3fg0 h ALA 48 N 0.98 0.69 -0.85 3.45 0.00 -1.07 -1.13 119.26 121.33 3fg0 h ALA 48 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 48 Cb 0.21 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 3fg0 h ALA 48 CO -0.01 0.09 0.42 0.93 0.00 0.00 0.00 179.25 180.69 3fg0 h GLU 49 N 0.70 1.22 -0.57 0.00 5.08 -0.78 -2.40 114.58 117.82 3fg0 h GLU 49 Ca 0.21 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.31 3fg0 h GLU 49 Cb -0.04 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.96 3fg0 h GLU 49 CO -0.06 0.92 -0.00 -0.09 -1.00 0.00 0.00 179.01 178.77 3fg0 h ARG 50 N 1.21 1.02 -0.72 2.33 2.43 -0.62 -1.37 114.38 118.66 3fg0 h ARG 50 Ca 0.29 -0.33 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3fg0 h ARG 50 Cb 0.09 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3fg0 h ARG 50 CO -0.04 1.01 0.21 0.00 -1.51 0.00 0.00 179.97 179.64 3fg0 h ALA 51 N 0.97 0.94 -0.52 2.80 0.00 -1.03 -0.13 119.26 122.29 3fg0 h ALA 51 Ca 0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fg0 h ALA 51 Cb 0.55 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fg0 h ALA 51 CO 0.03 0.63 0.05 0.82 0.00 0.00 0.00 179.25 180.78 3fg0 h ILE 52 N 1.06 1.26 -0.29 0.00 2.04 -1.16 -0.32 117.51 120.10 3fg0 h ILE 52 Ca 0.23 -1.01 -0.12 0.00 1.00 0.00 0.00 64.86 64.95 3fg0 h ILE 52 Cb 0.33 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3fg0 h ILE 52 CO -0.00 0.36 -0.33 -0.07 0.00 0.00 0.00 178.15 178.11 3fg0 h LEU 53 N 0.77 0.66 -0.61 1.44 3.38 -1.06 -0.85 115.31 119.05 3fg0 h LEU 53 Ca 0.15 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 3fg0 h LEU 53 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3fg0 h LEU 53 CO 0.02 0.94 0.22 0.00 0.09 0.00 0.00 178.44 179.71 3fg0 h ALA 54 N 1.10 0.79 -0.77 1.53 0.00 -0.84 -0.52 119.26 120.55 3fg0 h ALA 54 Ca 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3fg0 h ALA 54 Cb 0.82 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3fg0 h ALA 54 CO 0.07 0.42 0.34 0.00 0.00 0.00 0.00 179.25 180.08 3fg0 h ALA 55 N 1.08 0.99 -0.21 0.00 0.00 -0.74 -0.34 119.26 120.04 3fg0 h ALA 55 Ca 0.20 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3fg0 h ALA 55 Cb 0.23 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3fg0 h ALA 55 CO -0.01 0.58 0.03 -0.09 0.00 0.00 0.00 179.25 179.76 3fg0 h ARG 56 N 1.09 0.36 -0.60 0.00 9.65 -0.96 0.11 114.38 124.02 3fg0 h ARG 56 Ca 0.26 -0.10 0.04 0.00 -1.10 0.00 0.00 59.98 59.08 3fg0 h ARG 56 Cb 0.16 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 3fg0 h ARG 56 CO -0.03 0.51 0.35 -0.09 2.80 0.00 0.00 179.97 183.52 3fg0 h ARG 57 N 0.14 0.66 -0.30 0.20 2.43 -0.91 0.60 114.38 117.20 3fg0 h ARG 57 Ca 0.06 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 3fg0 h ARG 57 Cb 0.34 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.73 3fg0 h ARG 57 CO 0.01 0.43 0.09 0.00 -1.51 0.00 0.00 179.97 178.99 3fg0 h ALA 58 N 1.29 0.39 -0.41 2.80 0.00 -0.89 -1.52 119.26 120.93 3fg0 h ALA 58 Ca 0.25 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3fg0 h ALA 58 Cb 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3fg0 h ALA 58 CO -0.13 0.03 0.14 0.35 0.00 0.00 0.00 179.25 179.63 3fg0 h PHE 59 N 0.32 0.24 0.00 0.00 3.57 -0.37 -2.69 116.94 118.02 3fg0 h PHE 59 Ca 0.10 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.55 3fg0 h PHE 59 Cb 0.25 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 3fg0 h PHE 59 CO 0.01 0.09 -0.30 0.93 -2.23 0.00 0.00 178.31 176.80 3fg0 h GLU 60 N 0.29 0.00 0.00 1.11 4.39 -0.62 -2.43 114.58 117.32 3fg0 h GLU 60 Ca 0.19 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.85 3fg0 h GLU 60 Cb 0.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3fg0 h GLU 60 CO -0.20 0.30 -0.19 0.66 -1.16 0.00 0.00 179.01 178.42 3fg0 h SER 61 N 0.00 0.00 0.00 1.42 4.64 -0.94 -3.47 113.55 115.20 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 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3fg0 h SER 61 CO 0.04 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3fg0 n GLY 62 N -0.85 0.92 0.27 -0.77 0.00 -0.91 -4.92 105.19 98.93 3fg0 n GLY 62 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3fg0 n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg0 h GLU 63 N 2.94 0.00 0.00 1.61 5.08 -1.85 0.28 114.58 122.65 3fg0 h GLU 63 Ca 0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 3fg0 h GLU 63 Cb 0.00 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3fg0 h GLU 63 CO 0.00 0.06 -1.79 1.87 -1.00 0.00 0.00 179.01 178.15 3fg0 n TRP 64 N -4.08 0.00 0.27 4.33 -0.00 -1.26 -4.27 117.44 112.43 3fg0 n TRP 64 Ca -0.03 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 57.62 3fg0 n TRP 64 Cb 0.14 -0.52 0.78 0.00 -0.00 0.00 0.00 31.31 31.72 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 -0.27 0.00 -0.20 5.87 4.64 -1.61 -2.68 113.55 119.30 3fg0 h SER 65 Ca -0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3fg0 h SER 65 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 3fg0 h SER 65 CO -0.14 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 175.91 3fg0 n GLN 66 N -3.52 1.81 -1.66 4.77 1.13 0.08 -4.91 117.38 115.09 3fg0 n GLN 66 Ca -0.02 -1.65 -0.35 0.00 -1.94 0.00 0.00 57.00 53.04 3fg0 n GLN 66 Cb 0.22 -1.25 0.07 0.00 0.11 0.00 0.00 30.24 29.39 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 -0.98 2.50 0.52 -1.09 2.56 -1.01 -4.96 118.70 116.24 3fg0 s GLU 67 Ca 0.19 1.73 -0.22 0.00 0.00 0.00 0.00 54.97 56.68 3fg0 s GLU 67 Cb 0.11 -1.88 -0.05 0.00 2.00 0.00 0.00 34.13 34.31 3fg0 s GLU 67 CO 0.15 -1.55 1.28 0.95 -0.56 0.00 0.00 175.26 175.52 3fg0 s THR 68 N -1.90 2.48 0.28 -1.70 -4.23 -1.26 -4.86 115.64 104.45 3fg0 s THR 68 Ca 0.74 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 61.58 3fg0 s THR 68 Cb -0.28 -3.18 0.25 0.00 1.34 0.00 0.00 72.50 70.63 3fg0 s THR 68 CO 0.41 -0.01 1.94 0.00 -0.54 0.00 0.00 174.62 176.42 3fg0 h ALA 69 N 1.59 1.35 -0.60 3.99 0.00 -1.93 -1.15 119.26 122.51 3fg0 h ALA 69 Ca -0.50 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.37 3fg0 h ALA 69 Cb 1.28 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3fg0 h ALA 69 CO 0.58 0.58 0.35 1.49 0.00 0.00 0.00 179.25 182.26 3fg0 h GLU 70 N 1.17 0.67 -0.31 0.00 4.81 -1.90 -0.55 114.58 118.46 3fg0 h GLU 70 Ca 0.31 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.35 3fg0 h GLU 70 Cb -0.10 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 3fg0 h GLU 70 CO -0.06 0.44 -0.41 1.15 -0.73 0.00 0.00 179.01 179.40 3fg0 h THR 71 N 0.69 1.29 -0.96 0.32 2.02 -1.80 -2.19 112.91 112.27 3fg0 h THR 71 Ca 0.25 -1.59 0.02 0.00 0.77 0.00 0.00 66.41 65.87 3fg0 h THR 71 Cb 0.08 1.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.91 3fg0 h THR 71 CO -0.13 0.52 0.63 0.03 0.37 0.00 0.00 175.52 176.94 3fg0 h ARG 72 N 0.63 1.22 -0.93 6.66 3.08 -0.86 -2.03 114.38 122.15 3fg0 h ARG 72 Ca 0.05 -0.07 0.02 0.00 0.07 0.00 0.00 59.98 60.04 3fg0 h ARG 72 Cb 0.97 -0.28 -0.05 0.00 0.08 0.00 0.00 29.97 30.69 3fg0 h ARG 72 CO 0.09 0.81 0.62 0.78 -1.07 0.00 0.00 179.97 181.19 3fg0 h GLY 73 N 1.26 1.33 1.00 0.04 0.00 -0.73 -1.69 103.07 104.28 3fg0 h GLY 73 Ca 0.37 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.22 3fg0 h GLY 73 CO -0.10 0.46 0.44 0.50 0.00 0.00 0.00 176.54 177.84 3fg0 h LYS 74 N 1.24 0.87 -0.44 4.80 1.57 -0.84 -0.30 116.57 123.48 3fg0 h LYS 74 Ca 0.35 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 59.03 3fg0 h LYS 74 Cb -0.11 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 3fg0 h LYS 74 CO -0.09 0.58 0.10 0.87 -0.57 0.00 0.00 179.45 180.34 3fg0 h LYS 75 N 0.90 0.71 -0.52 3.15 1.79 -0.90 -0.41 116.57 121.30 3fg0 h LYS 75 Ca 0.24 -0.17 -0.05 0.00 -2.18 0.00 0.00 60.65 58.49 3fg0 h LYS 75 Cb -0.10 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.43 3fg0 h LYS 75 CO -0.05 0.72 0.10 0.28 -1.08 0.00 0.00 179.45 179.42 3fg0 h VAL 76 N 0.58 1.22 -0.76 0.50 2.07 -1.11 -1.51 116.25 117.25 3fg0 h VAL 76 Ca 0.14 -0.83 -0.05 0.00 0.82 0.00 0.00 66.70 66.78 3fg0 h VAL 76 Cb 0.33 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3fg0 h VAL 76 CO 0.00 0.31 0.28 -0.09 0.02 0.00 0.00 177.57 178.09 3fg0 h ARG 77 N 0.77 1.16 -0.85 1.57 2.43 -0.76 -1.64 114.38 117.06 3fg0 h ARG 77 Ca 0.17 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 3fg0 h ARG 77 Cb 0.31 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 3fg0 h ARG 77 CO 0.00 0.96 0.48 0.00 -1.51 0.00 0.00 179.97 179.90 3fg0 h ALA 78 N 1.14 1.25 -0.07 2.80 0.00 -0.35 -1.16 119.26 122.87 3fg0 h ALA 78 Ca 0.25 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fg0 h ALA 78 Cb 0.26 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fg0 h ALA 78 CO -0.02 0.62 0.04 0.82 0.00 0.00 0.00 179.25 180.72 3fg0 h ILE 79 N 1.18 1.07 -0.77 0.00 2.04 -0.80 -1.39 117.51 118.84 3fg0 h ILE 79 Ca 0.30 -0.19 0.14 0.00 1.00 0.00 0.00 64.86 66.11 3fg0 h ILE 79 Cb 0.00 1.06 -0.10 0.00 -0.74 0.00 0.00 36.82 37.05 3fg0 h ILE 79 CO -0.05 0.06 0.32 0.00 0.00 0.00 0.00 178.15 178.48 3fg0 h ALA 80 N 0.96 1.10 -0.65 1.87 0.00 -0.42 -1.44 119.26 120.68 3fg0 h ALA 80 Ca 0.03 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3fg0 h ALA 80 Cb 0.06 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fg0 h ALA 80 CO -0.00 -0.20 0.29 -0.44 0.00 0.00 0.00 179.25 178.89 3fg0 h ASP 81 N 0.46 0.87 -0.54 0.00 3.32 -0.97 -2.10 116.42 117.47 3fg0 h ASP 81 Ca 0.42 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.35 3fg0 h ASP 81 Cb 0.64 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3fg0 h ASP 81 CO -0.40 0.78 0.31 0.11 -1.72 0.00 0.00 179.24 178.32 3fg0 h LYS 82 N 0.91 0.59 -0.26 3.56 1.79 -0.26 -0.46 116.57 122.44 3fg0 h LYS 82 Ca 0.22 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.68 3fg0 h LYS 82 Cb 0.16 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 3fg0 h LYS 82 CO -0.02 0.39 0.09 0.82 -1.08 0.00 0.00 179.45 179.64 3fg0 h ILE 83 N 0.61 0.92 -0.52 1.86 1.08 -0.98 -0.84 117.51 119.65 3fg0 h ILE 83 Ca 0.23 -0.07 -0.04 0.00 -0.39 0.00 0.00 64.86 64.58 3fg0 h ILE 83 Cb 0.06 0.70 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3fg0 h ILE 83 CO -0.12 0.04 0.16 0.50 -0.69 0.00 0.00 178.15 178.03 3fg0 h LYS 84 N 0.20 0.81 -0.57 2.37 3.64 -1.15 -1.23 116.57 120.66 3fg0 h LYS 84 Ca 0.12 -0.18 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3fg0 h LYS 84 Cb 0.09 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.72 3fg0 h LYS 84 CO -0.12 0.76 0.18 0.93 -2.27 0.00 0.00 179.45 178.92 3fg0 h GLU 85 N 0.71 0.34 -0.77 1.90 5.08 -0.73 -2.74 114.58 118.37 3fg0 h GLU 85 Ca 0.17 -0.02 -0.28 0.00 -1.00 0.00 0.00 59.36 58.23 3fg0 h GLU 85 Cb 0.29 -0.08 -0.17 0.00 0.50 0.00 0.00 28.75 29.29 3fg0 h GLU 85 CO -0.00 0.22 0.34 0.72 -1.00 0.00 0.00 179.01 179.29 3fg0 n HIS 86 N -5.03 2.48 -0.35 4.33 8.25 -0.35 -4.67 115.22 119.87 3fg0 n HIS 86 Ca 0.07 -1.37 0.03 0.00 -0.26 0.00 0.00 57.72 56.19 3fg0 n HIS 86 Cb 0.26 -0.73 0.18 0.00 1.12 0.00 0.00 29.99 30.82 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 2.15 1.06 -0.00 -0.41 2.43 -0.91 -1.58 114.38 117.12 3fg0 h ARG 87 Ca 0.35 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.45 3fg0 h ARG 87 Cb 2.40 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 31.71 3fg0 h ARG 87 CO 0.79 0.70 0.00 1.49 -1.51 0.00 0.00 179.97 181.45 3fg0 h GLU 88 N 1.10 0.01 -0.51 0.20 4.81 -1.85 0.48 114.58 118.81 3fg0 h GLU 88 Ca 0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.66 3fg0 h GLU 88 Cb 0.23 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 3fg0 h GLU 88 CO -0.19 0.22 0.32 0.00 -0.73 0.00 0.00 179.01 178.63 3fg0 h ALA 89 N 0.78 0.65 -0.34 2.92 0.00 -1.85 -0.67 119.26 120.74 3fg0 h ALA 89 Ca 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 89 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3fg0 h ALA 89 CO -0.00 0.12 0.12 -0.07 0.00 0.00 0.00 179.25 179.42 3fg0 h LEU 90 N 0.69 0.49 -0.74 0.00 3.38 -1.21 -0.56 115.31 117.35 3fg0 h LEU 90 Ca 0.18 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3fg0 h LEU 90 Cb -0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3fg0 h LEU 90 CO -0.04 0.55 0.38 0.00 0.09 0.00 0.00 178.44 179.42 3fg0 h ALA 91 N 0.96 0.95 -0.56 1.53 0.00 -0.62 -0.74 119.26 120.78 3fg0 h ALA 91 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3fg0 h ALA 91 Cb 0.23 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3fg0 h ALA 91 CO -0.01 0.49 0.04 0.00 0.00 0.00 0.00 179.25 179.78 3fg0 h ARG 92 N 1.03 0.95 -0.85 0.00 3.08 -0.94 -1.69 114.38 115.97 3fg0 h ARG 92 Ca 0.26 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 60.00 3fg0 h ARG 92 Cb 0.08 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3fg0 h ARG 92 CO -0.04 0.94 0.42 -0.07 -1.07 0.00 0.00 179.97 180.16 3fg0 h LEU 93 N 0.84 1.10 -0.68 3.04 3.38 -0.86 -0.92 115.31 121.21 3fg0 h LEU 93 Ca 0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.91 3fg0 h LEU 93 Cb 0.48 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3fg0 h LEU 93 CO 0.02 0.92 -0.02 -0.08 0.09 0.00 0.00 178.44 179.37 3fg0 h GLU 94 N 1.20 1.01 -0.39 1.13 4.57 -0.88 -0.73 114.58 120.49 3fg0 h GLU 94 Ca 0.29 -0.32 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 3fg0 h GLU 94 Cb 0.09 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3fg0 h GLU 94 CO -0.04 1.00 -0.09 1.15 -1.18 0.00 0.00 179.01 179.85 3fg0 h THR 95 N 0.92 1.28 -0.75 0.32 2.02 -1.19 -0.41 112.91 115.10 3fg0 h THR 95 Ca 0.16 -1.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.16 3fg0 h THR 95 Cb 0.56 1.23 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 3fg0 h THR 95 CO 0.03 0.39 0.46 0.25 0.37 0.00 0.00 175.52 177.02 3fg0 h LEU 96 N 0.57 0.90 0.17 2.58 5.85 -0.95 0.34 115.31 124.76 3fg0 h LEU 96 Ca 0.10 -0.06 -0.31 0.00 0.84 0.00 0.00 57.88 58.45 3fg0 h LEU 96 Cb 0.61 -0.23 0.02 0.00 0.37 0.00 0.00 40.66 41.44 3fg0 h LEU 96 CO 0.04 0.69 -1.34 -0.78 -0.34 0.00 0.00 178.44 176.71 3fg0 h ASP 97 N 1.02 0.70 0.00 1.25 3.58 -1.03 -3.39 116.42 118.55 3fg0 h ASP 97 Ca 0.27 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 57.00 3fg0 h ASP 97 Cb -0.05 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.78 3fg0 h ASP 97 CO -0.05 1.56 -0.75 0.35 -2.88 0.00 0.00 179.24 177.47 3fg0 n THR 98 N -3.67 0.00 0.00 2.25 -2.24 -0.17 -4.58 114.28 105.87 3fg0 n THR 98 Ca -0.13 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3fg0 n THR 98 Cb 1.05 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 70.06 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 1.44 2.14 3.74 3.38 0.00 0.10 -4.76 105.19 111.23 3fg0 n GLY 99 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.38 2.00 0.62 1.61 -2.85 -1.26 -4.19 119.74 115.29 3fg0 s LYS 100 Ca 0.00 1.33 -0.19 0.00 -1.00 0.00 0.00 55.97 56.11 3fg0 s LYS 100 Cb 0.00 -1.86 -0.02 0.00 -2.06 0.00 0.00 37.83 33.89 3fg0 s LYS 100 CO 0.00 -1.86 1.29 0.95 0.10 0.00 0.00 175.35 175.83 3fg0 s THR 101 N -2.71 2.15 0.30 3.79 -4.23 -1.26 -4.55 115.64 109.13 3fg0 s THR 101 Ca 0.64 0.10 -0.02 0.00 -1.18 0.00 0.00 61.69 61.23 3fg0 s THR 101 Cb -0.20 -3.04 0.25 0.00 1.34 0.00 0.00 72.50 70.85 3fg0 s THR 101 CO 0.54 -0.02 1.96 0.25 -0.54 0.00 0.00 174.62 176.81 3fg0 h LEU 102 N 0.80 0.92 -0.85 4.79 5.85 -1.62 -1.13 115.31 124.06 3fg0 h LEU 102 Ca -0.51 -0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.13 3fg0 h LEU 102 Cb 1.32 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 3fg0 h LEU 102 CO 0.54 0.68 0.31 -0.08 -0.34 0.00 0.00 178.44 179.56 3fg0 h GLU 103 N 1.07 1.16 -0.77 1.25 4.81 -1.91 0.83 114.58 121.02 3fg0 h GLU 103 Ca 0.28 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3fg0 h GLU 103 Cb -0.08 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.07 3fg0 h GLU 103 CO -0.06 0.93 0.31 0.93 -0.73 0.00 0.00 179.01 180.39 3fg0 h GLU 104 N 1.13 1.14 -0.55 1.92 5.08 -1.74 -1.82 114.58 119.74 3fg0 h GLU 104 Ca 0.26 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3fg0 h GLU 104 Cb 0.21 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3fg0 h GLU 104 CO -0.02 0.93 0.16 0.77 -1.00 0.00 0.00 179.01 179.84 3fg0 h SER 105 N 1.11 0.82 -0.77 1.42 0.02 -0.41 -0.72 113.55 115.02 3fg0 h SER 105 Ca 0.26 -0.22 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3fg0 h SER 105 Cb 0.21 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 3fg0 h SER 105 CO -0.02 0.82 0.43 1.88 -1.14 0.00 0.00 176.83 178.80 3fg0 h TYR 106 N 0.77 1.05 -0.63 3.45 0.05 -0.68 -1.73 116.97 119.25 3fg0 h TYR 106 Ca 0.18 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 3fg0 h TYR 106 Cb 0.31 -0.34 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 3fg0 h TYR 106 CO 0.02 0.73 0.31 0.00 -1.05 0.00 0.00 178.16 178.17 3fg0 h ALA 107 N 1.39 0.81 -0.61 3.88 0.00 -0.86 -1.69 119.26 122.19 3fg0 h ALA 107 Ca 0.28 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3fg0 h ALA 107 Cb 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 3fg0 h ALA 107 CO -0.05 0.37 0.31 -0.44 0.00 0.00 0.00 179.25 179.44 3fg0 h ASP 108 N 0.87 0.43 -0.46 0.00 3.32 -0.67 -1.61 116.42 118.31 3fg0 h ASP 108 Ca 0.22 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 3fg0 h ASP 108 Cb 0.10 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 3fg0 h ASP 108 CO -0.03 0.28 0.13 0.24 -1.72 0.00 0.00 179.24 178.14 3fg0 h MET 109 N 0.57 0.78 -0.18 3.56 2.86 -0.66 0.22 114.93 122.09 3fg0 h MET 109 Ca 0.28 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.77 3fg0 h MET 109 Cb 0.22 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 3fg0 h MET 109 CO -0.20 0.70 0.10 -0.44 1.06 0.00 0.00 176.91 178.13 3fg0 h ASP 110 N 0.76 0.22 -0.60 1.22 3.32 -0.90 -1.19 116.42 119.25 3fg0 h ASP 110 Ca 0.17 -0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.20 3fg0 h ASP 110 Cb 0.26 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 3fg0 h ASP 110 CO -0.00 0.22 0.33 0.44 -1.72 0.00 0.00 179.24 178.51 3fg0 h ASP 111 N 0.20 0.51 -0.43 6.45 3.32 -0.71 -2.23 116.42 123.53 3fg0 h ASP 111 Ca 0.06 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 3fg0 h ASP 111 Cb 0.05 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 3fg0 h ASP 111 CO -0.01 0.34 0.14 0.40 -1.72 0.00 0.00 179.24 178.39 3fg0 h ILE 112 N 0.64 1.22 -0.47 0.35 2.04 -0.79 0.25 117.51 120.74 3fg0 h ILE 112 Ca 0.26 -0.71 0.08 0.00 1.00 0.00 0.00 64.86 65.48 3fg0 h ILE 112 Cb 0.12 0.87 -0.06 0.00 -0.74 0.00 0.00 36.82 37.01 3fg0 h ILE 112 CO -0.15 0.26 0.10 -0.74 0.00 0.00 0.00 178.15 177.62 3fg0 h HIS 113 N 0.55 0.17 -0.02 1.37 2.76 -1.09 -2.06 115.15 116.84 3fg0 h HIS 113 Ca 0.14 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.25 3fg0 h HIS 113 Cb 0.25 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.20 3fg0 h HIS 113 CO 0.01 0.01 -0.40 -0.91 -1.30 0.00 0.00 177.93 175.34 3fg0 h ASN 114 N 0.24 0.04 0.06 3.26 2.35 -0.91 -0.63 115.58 119.99 3fg0 h ASN 114 Ca 0.23 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 3fg0 h ASN 114 Cb 0.30 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3fg0 h ASN 114 CO -0.30 0.44 -0.03 0.58 -1.65 0.00 0.00 177.43 176.47 3fg0 h VAL 115 N 0.03 1.16 -0.96 2.81 2.07 -0.62 -0.05 116.25 120.70 3fg0 h VAL 115 Ca 0.00 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.76 3fg0 h VAL 115 Cb 0.73 1.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.11 3fg0 h VAL 115 CO 0.05 0.19 0.63 -0.26 0.02 0.00 0.00 177.57 178.21 3fg0 h PHE 116 N -0.42 1.21 -0.53 1.57 0.04 -1.26 -1.93 116.94 115.62 3fg0 h PHE 116 Ca -0.01 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.69 3fg0 h PHE 116 Cb 0.37 -0.41 -0.02 0.00 2.20 0.00 0.00 35.95 38.10 3fg0 h PHE 116 CO 0.04 0.77 -0.07 1.98 -0.60 0.00 0.00 178.31 180.43 3fg0 h MET 117 N 1.30 0.98 0.20 1.51 4.05 -1.03 0.33 114.93 122.27 3fg0 h MET 117 Ca 0.35 -0.35 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3fg0 h MET 117 Cb -0.14 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 30.59 3fg0 h MET 117 CO -0.08 1.02 -0.10 -0.92 0.23 0.00 0.00 176.91 177.07 3fg0 h TYR 118 N 0.85 -0.25 -0.04 1.39 3.20 -0.73 -2.20 116.97 119.19 3fg0 h TYR 118 Ca 0.14 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.92 3fg0 h TYR 118 Cb 0.62 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.97 3fg0 h TYR 118 CO 0.04 -0.10 -0.39 0.74 -1.64 0.00 0.00 178.16 176.82 3fg0 h PHE 119 N -0.35 0.09 -0.65 -3.82 0.04 -1.25 -1.72 116.94 109.29 3fg0 h PHE 119 Ca -0.03 -0.02 0.06 0.00 2.80 0.00 0.00 57.97 60.78 3fg0 h PHE 119 Cb 0.27 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.34 3fg0 h PHE 119 CO -0.04 0.46 0.35 0.00 -0.60 0.00 0.00 178.31 178.48 3fg0 h ALA 120 N 1.54 0.87 0.00 2.45 0.00 -0.76 -1.86 119.26 121.49 3fg0 h ALA 120 Ca 0.01 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3fg0 h ALA 120 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3fg0 h ALA 120 CO 0.05 0.02 -0.46 0.78 0.00 0.00 0.00 179.25 179.64 3fg0 h GLY 121 N 0.65 0.00 1.76 0.00 0.00 -0.84 -3.11 103.07 101.52 3fg0 h GLY 121 Ca 0.29 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.61 3fg0 h GLY 121 CO -0.19 0.00 -0.32 -2.00 0.00 0.00 0.00 176.54 174.04 3fg0 h LEU 122 N 0.00 0.00 -0.85 3.11 5.85 -0.93 -3.40 115.31 119.10 3fg0 h LEU 122 Ca -0.00 0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.89 3fg0 h LEU 122 Cb 1.03 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.95 3fg0 h LEU 122 CO 0.06 0.08 0.39 0.00 -0.34 0.00 0.00 178.44 178.63 3fg0 h ALA 123 N 1.92 1.31 -0.43 1.25 0.00 -1.28 -2.40 119.26 119.63 3fg0 h ALA 123 Ca -0.01 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3fg0 h ALA 123 Cb 1.07 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 3fg0 h ALA 123 CO 0.01 -0.22 0.00 -0.40 0.00 0.00 0.00 179.25 178.64 3fg0 n ASP 124 N -4.97 4.86 -0.57 0.00 5.75 -1.26 -4.62 116.55 115.73 3fg0 n ASP 124 Ca 0.19 -2.99 0.12 0.00 -0.01 0.00 0.00 54.79 52.09 3fg0 n ASP 124 Cb 0.53 -0.62 0.07 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.07 1.43 -3.15 0.11 4.76 -0.90 -4.84 118.16 115.63 3fg0 n LYS 125 Ca 0.25 -1.15 0.04 0.00 -2.87 0.00 0.00 58.31 54.58 3fg0 n LYS 125 Cb 1.06 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.77 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 -2.36 -1.54 0.00 4.39 2.15 -1.26 -5.03 116.67 113.02 3fg0 s ASP 126 Ca 0.22 0.42 0.25 0.00 0.43 0.00 0.00 52.55 53.87 3fg0 s ASP 126 Cb 0.19 2.08 0.49 0.00 -0.30 0.00 0.00 42.92 45.37 3fg0 s ASP 126 CO 0.50 -0.28 1.42 0.61 -0.17 0.00 0.00 175.17 177.24 3fg0 n GLY 127 N 5.42 0.28 0.00 2.66 0.00 -1.26 -4.92 105.19 107.37 3fg0 n GLY 127 Ca 0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 1.31 0.76 3.15 -0.02 0.00 -1.26 -2.01 105.19 107.12 3fg0 n GLY 128 Ca 0.14 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.02 3fg0 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fg0 s GLU 129 N -1.14 0.72 -0.21 1.61 -1.05 -0.08 -4.98 118.70 113.57 3fg0 s GLU 129 Ca 0.00 -1.01 -0.10 0.00 -0.15 0.00 0.00 54.97 53.71 3fg0 s GLU 129 Cb 0.00 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 3fg0 s GLU 129 CO 0.00 -0.19 0.13 -1.64 0.95 0.00 0.00 175.26 174.51 3fg0 s MET 130 N -3.65 4.13 -0.07 -4.83 -1.94 -1.26 -0.37 119.30 111.30 3fg0 s MET 130 Ca 0.04 -0.25 -0.03 0.00 -1.71 0.00 0.00 55.69 53.74 3fg0 s MET 130 Cb 0.05 -3.44 -0.04 0.00 2.01 0.00 0.00 34.83 33.41 3fg0 s MET 130 CO -0.09 0.21 0.07 0.42 -0.01 0.00 0.00 175.02 175.62 3fg0 s ILE 131 N 0.60 4.84 -0.76 2.53 -1.09 -0.10 -4.98 121.20 122.25 3fg0 s ILE 131 Ca 0.07 -0.14 -0.27 0.00 -2.23 0.00 0.00 60.65 58.08 3fg0 s ILE 131 Cb -0.12 -3.12 0.03 0.00 -1.58 0.00 0.00 42.46 37.67 3fg0 s ILE 131 CO 0.00 0.53 1.30 -1.81 -1.23 0.00 0.00 174.94 173.74 3fg0 s ASP 132 N -1.20 6.16 0.22 3.58 1.01 -1.26 -4.25 116.67 120.94 3fg0 s ASP 132 Ca 0.17 -0.50 -0.30 0.00 0.71 0.00 0.00 52.55 52.63 3fg0 s ASP 132 Cb -0.12 -2.56 -0.09 0.00 1.01 0.00 0.00 42.92 41.17 3fg0 s ASP 132 CO 0.07 -1.83 1.21 -0.55 0.21 0.00 0.00 175.17 174.28 3fg0 s SER 133 N 3.92 7.05 0.00 0.27 0.15 -1.26 -4.91 113.70 118.93 3fg0 s SER 133 Ca 0.36 2.32 0.27 0.00 0.70 0.00 0.00 55.95 59.61 3fg0 s SER 133 Cb -0.08 -2.62 1.52 0.00 -1.71 0.00 0.00 66.02 63.14 3fg0 s SER 133 CO 0.13 -0.37 1.97 -0.81 1.20 0.00 0.00 173.24 175.36 3fg0 n PRO 134 N 2.08 0.64 -3.73 5.44 -0.04 -1.26 -4.69 135.00 133.43 3fg0 n PRO 134 Ca 0.03 0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.14 3fg0 n PRO 134 Cb 0.44 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.28 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 -2.28 4.70 0.70 0.52 1.01 -1.26 -5.07 121.20 119.53 3fg0 s ILE 135 Ca 0.34 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.79 3fg0 s ILE 135 Cb 0.19 -3.21 0.02 0.00 0.01 0.00 0.00 42.46 39.47 3fg0 s ILE 135 CO 0.36 0.32 1.23 -2.65 0.00 0.00 0.00 174.94 174.21 3fg0 n PRO 136 N 4.80 0.78 -3.70 2.79 -0.02 -1.26 -3.21 135.00 135.17 3fg0 n PRO 136 Ca -0.15 0.33 -0.24 0.00 -2.02 0.00 0.00 63.50 61.41 3fg0 n PRO 136 Cb 0.52 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.58 3fg0 n PRO 136 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fg0 n ASP 137 N -2.27 -3.99 -4.08 2.55 8.00 -1.26 -4.94 116.55 110.56 3fg0 n ASP 137 Ca 0.15 -0.70 -0.09 0.00 0.71 0.00 0.00 54.79 54.86 3fg0 n ASP 137 Cb 0.49 -4.45 -0.10 0.00 -0.02 0.00 0.00 41.12 37.04 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 -3.40 0.36 -0.06 -3.53 -4.23 -1.20 -1.11 115.64 102.48 3fg0 s THR 138 Ca 0.39 -1.51 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 3fg0 s THR 138 Cb -0.18 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 3fg0 s THR 138 CO 0.78 -0.75 -0.20 -0.70 -0.54 0.00 0.00 174.62 173.22 3fg0 s GLU 139 N -2.94 2.63 -0.10 3.99 2.12 0.20 -4.82 118.70 119.78 3fg0 s GLU 139 Ca -0.00 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.54 3fg0 s GLU 139 Cb 0.00 -2.30 0.02 0.00 0.26 0.00 0.00 34.13 32.11 3fg0 s GLU 139 CO -0.05 0.45 -0.11 0.45 -0.54 0.00 0.00 175.26 175.46 3fg0 s SER 140 N -0.31 2.15 0.04 -1.70 0.15 -1.26 -1.03 113.70 111.74 3fg0 s SER 140 Ca 0.01 -0.34 0.01 0.00 0.70 0.00 0.00 55.95 56.33 3fg0 s SER 140 Cb -0.13 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.24 3fg0 s SER 140 CO 0.02 -0.04 -0.06 -1.59 1.20 0.00 0.00 173.24 172.78 3fg0 s LYS 141 N 1.23 0.45 -0.24 5.44 -2.85 -0.79 -0.92 119.74 122.07 3fg0 s LYS 141 Ca -0.03 -0.74 -0.04 0.00 -1.00 0.00 0.00 55.97 54.17 3fg0 s LYS 141 Cb -0.14 -0.11 0.00 0.00 -2.06 0.00 0.00 37.83 35.53 3fg0 s LYS 141 CO -0.04 0.00 -0.03 0.42 0.10 0.00 0.00 175.35 175.81 3fg0 s ILE 142 N -1.59 3.36 -0.14 3.79 -1.09 0.51 -0.68 121.20 125.36 3fg0 s ILE 142 Ca -0.11 -0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 57.63 3fg0 s ILE 142 Cb -0.09 -2.59 -0.04 0.00 -1.58 0.00 0.00 42.46 38.16 3fg0 s ILE 142 CO -0.01 0.33 0.04 -0.69 -1.23 0.00 0.00 174.94 173.39 3fg0 s VAL 143 N 1.45 4.66 -0.25 2.92 1.01 0.23 -0.90 120.40 129.52 3fg0 s VAL 143 Ca 0.04 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 3fg0 s VAL 143 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 3fg0 s VAL 143 CO -0.03 0.53 0.34 -0.54 0.00 0.00 0.00 175.10 175.40 3fg0 s LYS 144 N -0.17 4.07 0.20 2.72 -0.14 -0.85 -1.00 119.74 124.56 3fg0 s LYS 144 Ca 0.07 0.03 0.09 0.00 -1.36 0.00 0.00 55.97 54.79 3fg0 s LYS 144 Cb -0.12 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.38 3fg0 s LYS 144 CO 0.01 -0.16 -0.05 -1.21 -0.76 0.00 0.00 175.35 173.19 3fg0 s GLU 145 N 1.70 2.21 0.42 1.68 2.02 0.06 -4.90 118.70 121.89 3fg0 s GLU 145 Ca 0.15 -1.26 -0.26 0.00 0.02 0.00 0.00 54.97 53.62 3fg0 s GLU 145 Cb -0.15 -2.21 -0.10 0.00 0.10 0.00 0.00 34.13 31.77 3fg0 s GLU 145 CO 0.09 0.42 1.30 -0.35 0.02 0.00 0.00 175.26 176.74 3fg0 n PRO 146 N -0.25 2.00 0.14 0.39 -0.04 -1.26 -0.33 135.00 135.65 3fg0 n PRO 146 Ca -0.09 0.71 0.05 0.00 -0.04 0.00 0.00 63.50 64.12 3fg0 n PRO 146 Cb 0.56 -2.42 0.48 0.00 -0.04 0.00 0.00 33.50 32.08 3fg0 n PRO 146 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3fg0 h VAL 147 N 2.15 1.10 0.00 0.52 3.04 -1.24 -3.41 116.25 118.41 3fg0 h VAL 147 Ca -0.48 -0.38 0.00 0.00 -1.01 0.00 0.00 66.70 64.83 3fg0 h VAL 147 Cb 1.29 0.97 0.00 0.00 -2.01 0.00 0.00 31.29 31.54 3fg0 h VAL 147 CO 0.60 0.13 0.00 0.61 -1.01 0.00 0.00 177.57 177.90 3fg0 n GLY 148 N -1.24 0.45 3.69 3.17 0.00 -1.26 -4.84 105.19 105.16 3fg0 n GLY 148 Ca -0.01 -1.07 -0.39 0.00 0.00 0.00 0.00 46.02 44.56 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 5.15 -0.02 1.61 1.01 -1.26 -2.54 120.40 124.35 3fg0 s VAL 149 Ca 0.00 0.96 0.06 0.00 0.00 0.00 0.00 61.98 63.00 3fg0 s VAL 149 Cb 0.00 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3fg0 s VAL 149 CO 0.00 0.25 -0.21 0.68 0.00 0.00 0.00 175.10 175.83 3fg0 s VAL 150 N 1.11 1.63 0.01 2.92 -7.23 -0.44 0.11 120.40 118.51 3fg0 s VAL 150 Ca 0.25 -0.88 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 3fg0 s VAL 150 Cb -0.15 -1.35 -0.03 0.00 0.56 0.00 0.00 36.38 35.40 3fg0 s VAL 150 CO 0.10 0.46 -0.08 0.42 -0.31 0.00 0.00 175.10 175.69 3fg0 s THR 151 N -0.46 3.54 -0.04 5.32 -4.23 -0.24 -1.37 115.64 118.16 3fg0 s THR 151 Ca 0.07 -0.84 -0.01 0.00 -1.18 0.00 0.00 61.69 59.74 3fg0 s THR 151 Cb -0.08 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.25 3fg0 s THR 151 CO -0.01 0.38 0.02 -1.10 -0.54 0.00 0.00 174.62 173.38 3fg0 s GLN 152 N -1.44 0.19 -0.09 3.99 -0.21 -0.11 -0.98 119.66 121.01 3fg0 s GLN 152 Ca 0.17 0.20 0.01 0.00 0.02 0.00 0.00 55.36 55.76 3fg0 s GLN 152 Cb -0.11 -0.55 0.02 0.00 1.00 0.00 0.00 33.01 33.37 3fg0 s GLN 152 CO 0.07 -0.23 -0.12 0.42 -2.12 0.00 0.00 175.29 173.32 3fg0 s ILE 153 N 1.57 1.17 0.33 1.08 1.01 -0.36 -0.59 121.20 125.41 3fg0 s ILE 153 Ca -0.02 -0.46 0.10 0.00 0.00 0.00 0.00 60.65 60.27 3fg0 s ILE 153 Cb -0.13 -1.10 -0.06 0.00 0.01 0.00 0.00 42.46 41.18 3fg0 s ILE 153 CO -0.03 0.37 -0.11 0.42 0.00 0.00 0.00 174.94 175.59 3fg0 s THR 154 N 1.00 2.26 0.31 2.92 -4.23 -1.00 -2.22 115.64 114.69 3fg0 s THR 154 Ca -0.08 -2.24 0.05 0.00 -1.18 0.00 0.00 61.69 58.23 3fg0 s THR 154 Cb -0.15 -2.57 0.05 0.00 1.34 0.00 0.00 72.50 71.17 3fg0 s THR 154 CO -0.01 -0.25 0.38 -0.81 -0.54 0.00 0.00 174.62 173.39 3fg0 n PRO 155 N -0.75 0.86 0.00 3.99 -0.04 -1.21 -2.41 135.00 135.44 3fg0 n PRO 155 Ca -0.05 -1.75 0.12 0.00 -0.04 0.00 0.00 63.50 61.78 3fg0 n PRO 155 Cb 0.63 -0.04 0.17 0.00 -0.04 0.00 0.00 33.50 34.22 3fg0 n PRO 155 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3fg0 n TRP 156 N -1.55 0.00 0.03 0.54 4.27 -1.26 -4.07 117.44 115.40 3fg0 n TRP 156 Ca 0.06 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.46 3fg0 n TRP 156 Cb 0.33 -0.13 -0.14 0.00 -1.36 0.00 0.00 31.31 30.01 3fg0 n TRP 156 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3fg0 h ASN 157 N 0.63 0.45 -2.10 -0.67 -1.07 -1.97 -3.40 115.58 107.46 3fg0 h ASN 157 Ca 0.00 -0.89 -0.57 0.00 0.07 0.00 0.00 56.30 54.91 3fg0 h ASN 157 Cb 0.54 -0.15 -0.40 0.00 -2.07 0.00 0.00 38.32 36.23 3fg0 h ASN 157 CO 0.00 1.56 -0.89 -1.22 0.07 0.00 0.00 177.43 176.95 3fg0 n TYR 158 N -3.96 1.58 0.10 4.14 4.02 -1.26 -5.01 117.16 116.76 3fg0 n TYR 158 Ca -0.21 -3.85 -0.13 0.00 -0.01 0.00 0.00 57.90 53.71 3fg0 n TYR 158 Cb 0.90 -0.45 -0.06 0.00 -0.02 0.00 0.00 39.34 39.71 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 3.80 -0.50 -0.20 -0.72 0.11 -1.79 -0.11 132.00 132.60 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 0.77 0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 3fg0 h PRO 159 CO 0.64 -0.33 -0.58 1.25 -0.21 0.00 0.00 178.00 178.76 3fg0 h LEU 160 N -0.52 0.72 0.08 2.35 5.85 -1.92 -1.38 115.31 120.50 3fg0 h LEU 160 Ca 0.04 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.37 3fg0 h LEU 160 Cb 0.56 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3fg0 h LEU 160 CO -0.20 1.15 -0.11 0.25 -0.34 0.00 0.00 178.44 179.18 3fg0 h LEU 161 N 0.48 -0.30 -1.18 2.25 5.85 -1.85 -0.04 115.31 120.52 3fg0 h LEU 161 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 3fg0 h LEU 161 Cb 1.15 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 3fg0 h LEU 161 CO 0.11 -0.17 -0.11 1.56 -0.34 0.00 0.00 178.44 179.49 3fg0 h GLN 162 N -0.23 0.43 -0.45 1.25 4.20 -0.98 -2.05 115.11 117.28 3fg0 h GLN 162 Ca 0.02 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 3fg0 h GLN 162 Cb 0.24 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.95 3fg0 h GLN 162 CO -0.05 0.55 -0.01 0.00 -0.67 0.00 0.00 178.83 178.64 3fg0 h ALA 163 N 1.48 0.61 -0.52 3.87 0.00 -1.01 -3.20 119.26 120.49 3fg0 h ALA 163 Ca 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3fg0 h ALA 163 Cb 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3fg0 h ALA 163 CO 0.03 0.41 0.17 0.66 0.00 0.00 0.00 179.25 180.52 3fg0 h SER 164 N 0.64 0.70 0.19 0.00 4.64 -0.30 0.16 113.55 119.58 3fg0 h SER 164 Ca 0.13 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 3fg0 h SER 164 Cb 0.51 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3fg0 h SER 164 CO 0.03 0.66 -0.07 -0.50 -0.87 0.00 0.00 176.83 176.08 3fg0 h TRP 165 N 0.75 0.00 0.02 4.77 4.06 -1.45 -2.22 115.95 121.89 3fg0 h TRP 165 Ca 0.17 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.76 3fg0 h TRP 165 Cb 0.21 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.32 3fg0 h TRP 165 CO 0.01 0.07 -2.06 1.63 -3.56 0.00 0.00 178.44 174.53 3fg0 n LYS 166 N -3.77 0.62 -0.10 0.49 5.02 -0.65 -4.44 118.16 115.32 3fg0 n LYS 166 Ca -0.02 0.33 -0.10 0.00 -2.02 0.00 0.00 58.31 56.50 3fg0 n LYS 166 Cb 0.16 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.54 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 1.22 0.08 -0.18 2.04 -0.97 -2.82 117.51 116.26 3fg0 h ILE 167 Ca -0.53 -0.75 0.02 0.00 1.00 0.00 0.00 64.86 64.60 3fg0 h ILE 167 Cb 1.65 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 38.82 3fg0 h ILE 167 CO -0.21 0.25 -0.21 0.00 0.00 0.00 0.00 178.15 177.98 3fg0 h ALA 168 N 0.90 -0.33 -0.09 1.87 0.00 -1.64 -0.40 119.26 119.57 3fg0 h ALA 168 Ca 0.10 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3fg0 h ALA 168 Cb 0.30 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3fg0 h ALA 168 CO 0.00 -0.73 -0.56 -1.00 0.00 0.00 0.00 179.25 176.96 3fg0 h PRO 169 N -0.38 0.29 -0.12 0.00 0.13 -1.77 -1.21 132.00 128.93 3fg0 h PRO 169 Ca 0.03 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 65.01 3fg0 h PRO 169 Cb 0.41 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3fg0 h PRO 169 CO -0.13 0.77 -0.04 0.00 -0.23 0.00 0.00 178.00 178.37 3fg0 h ALA 170 N 1.19 0.07 -0.56 -0.56 0.00 -1.21 -1.60 119.26 116.60 3fg0 h ALA 170 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 170 Cb 1.05 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3fg0 h ALA 170 CO 0.09 -0.49 0.12 -0.07 0.00 0.00 0.00 179.25 178.90 3fg0 h LEU 171 N -0.01 0.87 -1.11 0.00 3.38 -0.98 -1.42 115.31 116.03 3fg0 h LEU 171 Ca 0.06 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.83 3fg0 h LEU 171 Cb 0.10 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 3fg0 h LEU 171 CO -0.13 0.89 0.60 0.00 0.09 0.00 0.00 178.44 179.89 3fg0 h ALA 172 N 1.01 1.43 0.00 1.53 0.00 -0.92 -2.07 119.26 120.24 3fg0 h ALA 172 Ca 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3fg0 h ALA 172 Cb 0.37 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fg0 h ALA 172 CO 0.01 0.47 -0.19 0.25 0.00 0.00 0.00 179.25 179.79 3fg0 n THR 173 N -4.45 0.02 -0.25 0.00 -2.24 -0.63 -4.77 114.28 101.96 3fg0 n THR 173 Ca 0.13 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3fg0 n THR 173 Cb 0.12 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 1.49 0.86 3.84 3.38 0.00 -0.78 -4.01 105.19 109.97 3fg0 n GLY 174 Ca 0.06 -0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.09 5.11 0.10 0.00 0.01 -1.05 -4.65 113.70 109.14 3fg0 s SER 176 Ca 0.59 0.05 0.04 0.00 1.31 0.00 0.00 55.95 57.94 3fg0 s SER 176 Cb -0.13 -1.37 -0.04 0.00 0.21 0.00 0.00 66.02 64.70 3fg0 s SER 176 CO 0.53 0.32 -0.10 -1.48 0.41 0.00 0.00 173.24 172.92 3fg0 s LEU 177 N -1.23 2.41 -0.15 2.44 0.05 0.27 -1.33 118.68 121.14 3fg0 s LEU 177 Ca 0.16 -0.81 -0.00 0.00 0.05 0.00 0.00 54.13 53.53 3fg0 s LEU 177 Cb -0.11 -0.32 0.03 0.00 -2.05 0.00 0.00 46.19 43.74 3fg0 s LEU 177 CO 0.06 -0.25 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.84 3fg0 s VAL 178 N -2.42 1.20 0.00 1.48 1.01 -0.47 -1.60 120.40 119.60 3fg0 s VAL 178 Ca 0.06 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3fg0 s VAL 178 Cb -0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 3fg0 s VAL 178 CO 0.00 0.26 -0.09 -0.32 0.00 0.00 0.00 175.10 174.95 3fg0 s MET 179 N 1.61 2.49 -0.23 2.72 0.00 0.38 -0.94 119.30 125.34 3fg0 s MET 179 Ca 0.02 -0.75 -0.02 0.00 0.00 0.00 0.00 55.69 54.94 3fg0 s MET 179 Cb -0.14 -2.45 0.07 0.00 0.00 0.00 0.00 34.83 32.31 3fg0 s MET 179 CO -0.08 0.60 0.05 0.21 0.00 0.00 0.00 175.02 175.80 3fg0 s LYS 180 N -1.33 0.65 0.89 4.11 2.20 0.24 -1.09 119.74 125.42 3fg0 s LYS 180 Ca 0.16 -0.59 -0.12 0.00 -0.36 0.00 0.00 55.97 55.06 3fg0 s LYS 180 Cb -0.11 -2.02 0.13 0.00 -1.51 0.00 0.00 37.83 34.31 3fg0 s LYS 180 CO 0.06 -0.75 1.11 -1.25 -0.36 0.00 0.00 175.35 174.17 3fg0 s PRO 181 N 1.81 1.29 0.28 4.03 0.04 -1.26 -2.37 135.00 138.82 3fg0 s PRO 181 Ca 0.02 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.24 3fg0 s PRO 181 Cb -0.17 -1.84 -0.13 0.00 0.04 0.00 0.00 34.50 32.40 3fg0 s PRO 181 CO -0.14 -2.14 1.35 0.45 0.04 0.00 0.00 177.00 176.56 3fg0 n SER 182 N -3.76 2.70 0.32 6.66 2.88 -1.01 -4.70 113.62 116.70 3fg0 n SER 182 Ca 0.06 1.17 0.20 0.00 -1.33 0.00 0.00 58.87 58.97 3fg0 n SER 182 Cb 0.58 -1.44 1.04 0.00 -0.75 0.00 0.00 64.21 63.63 3fg0 n SER 182 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3fg0 h GLU 183 N 3.55 0.00 0.00 -1.46 9.09 -1.90 -2.28 114.58 121.58 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 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 3fg0 h GLU 183 CO 0.71 0.01 -0.67 0.44 0.05 0.00 0.00 179.01 179.54 3fg0 n ILE 184 N -3.17 0.00 -3.21 -1.06 -5.35 -1.26 -4.52 119.36 100.79 3fg0 n ILE 184 Ca -0.02 -0.00 -0.23 0.00 -0.27 0.00 0.00 62.75 62.23 3fg0 n ILE 184 Cb 0.14 0.51 -0.06 0.00 -1.74 0.00 0.00 39.64 38.49 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 -1.50 -0.05 1.17 7.28 -2.24 -0.86 -4.61 114.28 113.47 3fg0 n THR 185 Ca 0.05 -4.35 0.12 0.00 -2.27 0.00 0.00 64.05 57.60 3fg0 n THR 185 Cb 0.33 -1.59 0.23 0.00 -2.10 0.00 0.00 70.33 67.21 3fg0 n THR 185 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fg0 n PRO 186 N 1.03 1.47 -0.01 -0.78 -0.04 -1.24 -4.53 135.00 130.89 3fg0 n PRO 186 Ca 0.23 -1.08 -0.12 0.00 -0.04 0.00 0.00 63.50 62.50 3fg0 n PRO 186 Cb 0.54 -1.48 -0.07 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 2.63 0.11 -0.83 1.53 3.38 -1.93 -1.19 115.31 119.01 3fg0 h LEU 187 Ca 0.00 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3fg0 h LEU 187 Cb 0.69 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 3fg0 h LEU 187 CO 0.00 0.26 -0.41 0.71 0.09 0.00 0.00 178.44 179.09 3fg0 h THR 188 N -0.04 0.92 -0.25 0.22 1.35 -1.87 -1.66 112.91 111.58 3fg0 h THR 188 Ca 0.03 -1.64 -0.15 0.00 -0.55 0.00 0.00 66.41 64.09 3fg0 h THR 188 Cb 0.19 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3fg0 h THR 188 CO -0.00 0.40 -0.45 0.74 -0.25 0.00 0.00 175.52 175.96 3fg0 h THR 189 N 0.00 1.30 -0.20 6.82 2.02 -1.80 -0.21 112.91 120.83 3fg0 h THR 189 Ca -0.00 -1.65 0.03 0.00 0.77 0.00 0.00 66.41 65.56 3fg0 h THR 189 Cb 0.96 1.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.06 3fg0 h THR 189 CO 0.05 0.53 -0.01 0.40 0.37 0.00 0.00 175.52 176.86 3fg0 h ILE 190 N 0.48 0.85 -0.66 3.11 2.04 -1.07 -2.33 117.51 119.94 3fg0 h ILE 190 Ca 0.02 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3fg0 h ILE 190 Cb 1.05 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.87 3fg0 h ILE 190 CO 0.10 0.01 0.38 -0.09 0.00 0.00 0.00 178.15 178.55 3fg0 h ARG 191 N 0.06 0.70 -0.01 2.37 9.65 -1.12 -1.75 114.38 124.27 3fg0 h ARG 191 Ca 0.09 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 3fg0 h ARG 191 Cb 0.12 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.53 3fg0 h ARG 191 CO -0.17 0.46 -0.35 -0.24 2.80 0.00 0.00 179.97 182.48 3fg0 h VAL 192 N 0.72 1.26 -0.55 0.20 3.04 -0.83 -1.66 116.25 118.43 3fg0 h VAL 192 Ca 0.29 -1.21 -0.11 0.00 -1.01 0.00 0.00 66.70 64.65 3fg0 h VAL 192 Cb 0.13 1.64 -0.02 0.00 -2.01 0.00 0.00 31.29 31.03 3fg0 h VAL 192 CO -0.16 0.35 -0.08 -0.26 -1.01 0.00 0.00 177.57 176.41 3fg0 h PHE 193 N 0.02 1.12 -0.92 3.17 -1.00 -0.81 0.96 116.94 119.48 3fg0 h PHE 193 Ca -0.00 -0.22 0.01 0.00 2.81 0.00 0.00 57.97 60.57 3fg0 h PHE 193 Cb 0.63 -0.28 -0.05 0.00 3.61 0.00 0.00 35.95 39.86 3fg0 h PHE 193 CO 0.00 1.03 0.61 0.93 -1.61 0.00 0.00 178.31 179.27 3fg0 h GLU 194 N 0.91 1.22 -0.18 1.51 5.08 -0.54 -1.20 114.58 121.38 3fg0 h GLU 194 Ca 0.15 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.30 3fg0 h GLU 194 Cb 0.64 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.62 3fg0 h GLU 194 CO 0.04 0.80 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.36 3fg0 h LEU 195 N 1.25 0.68 -1.19 1.33 3.38 -0.89 -3.15 115.31 116.73 3fg0 h LEU 195 Ca 0.34 -0.57 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3fg0 h LEU 195 Cb -0.14 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 3fg0 h LEU 195 CO -0.07 1.13 0.30 0.24 0.09 0.00 0.00 178.44 180.12 3fg0 h MET 196 N 0.26 0.86 -0.61 1.13 2.86 -0.61 -2.07 114.93 116.75 3fg0 h MET 196 Ca -0.00 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.58 3fg0 h MET 196 Cb 1.04 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.50 3fg0 h MET 196 CO 0.09 0.66 0.40 1.49 1.06 0.00 0.00 176.91 180.62 3fg0 h GLU 197 N 0.86 0.63 -0.09 1.72 4.81 -1.20 -1.25 114.58 120.06 3fg0 h GLU 197 Ca 0.21 -0.04 -0.15 0.00 -0.13 0.00 0.00 59.36 59.26 3fg0 h GLU 197 Cb 0.08 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3fg0 h GLU 197 CO -0.03 0.42 -0.59 0.93 -0.73 0.00 0.00 179.01 179.01 3fg0 h GLU 198 N 0.65 0.31 -0.67 1.92 5.08 -1.34 -3.05 114.58 117.48 3fg0 h GLU 198 Ca 0.25 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3fg0 h GLU 198 Cb 0.19 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 3fg0 h GLU 198 CO -0.07 0.81 0.23 0.28 -1.00 0.00 0.00 179.01 179.26 3fg0 h VAL 199 N 0.23 1.25 -0.21 3.13 2.07 -1.03 -3.49 116.25 118.21 3fg0 h VAL 199 Ca -0.00 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.70 3fg0 h VAL 199 Cb 1.10 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 3fg0 h VAL 199 CO 0.10 0.32 0.00 0.61 0.02 0.00 0.00 177.57 178.62 3fg0 n GLY 200 N -0.78 0.08 3.24 2.17 0.00 -0.82 -5.09 105.19 103.99 3fg0 n GLY 200 Ca 0.05 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 3fg0 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fg0 s PHE 201 N 0.00 1.56 0.58 1.61 0.08 -1.26 -5.08 117.98 115.46 3fg0 s PHE 201 Ca 0.00 -0.43 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 3fg0 s PHE 201 Cb 0.00 -0.87 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 3fg0 s PHE 201 CO 0.00 0.14 1.24 -2.30 -0.10 0.00 0.00 175.22 174.20 3fg0 n PRO 202 N 1.22 1.37 -1.64 0.24 -0.02 -1.26 -4.84 135.00 130.07 3fg0 n PRO 202 Ca -0.20 0.51 -0.58 0.00 -2.02 0.00 0.00 63.50 61.21 3fg0 n PRO 202 Cb 0.54 -2.45 -0.08 0.00 -0.02 0.00 0.00 33.50 31.49 3fg0 n PRO 202 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3fg0 n LYS 203 N -1.17 0.68 0.00 -0.52 4.81 -1.26 -1.75 118.16 118.95 3fg0 n LYS 203 Ca 0.12 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.81 3fg0 n LYS 203 Cb 0.46 -1.84 0.00 0.00 0.02 0.00 0.00 35.03 33.66 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 3.05 1.39 0.30 3.14 0.00 -1.26 -4.64 105.19 107.18 3fg0 n GLY 204 Ca 0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 1.27 -4.28 2.61 2.02 -1.65 -3.32 112.91 109.56 3fg0 h THR 205 Ca 0.00 -1.19 -0.66 0.00 0.77 0.00 0.00 66.41 65.33 3fg0 h THR 205 Cb 0.00 0.86 -0.31 0.00 -1.74 0.00 0.00 68.15 66.96 3fg0 h THR 205 CO 0.00 0.43 -0.87 0.27 0.37 0.00 0.00 175.52 175.72 3fg0 s ILE 206 N -4.96 1.87 -0.03 3.11 -4.36 -1.26 -0.56 121.20 115.00 3fg0 s ILE 206 Ca -0.11 -0.99 -0.04 0.00 -0.26 0.00 0.00 60.65 59.25 3fg0 s ILE 206 Cb 0.13 -1.56 0.01 0.00 1.25 0.00 0.00 42.46 42.29 3fg0 s ILE 206 CO 0.86 0.53 0.10 0.20 0.24 0.00 0.00 174.94 176.86 3fg0 s ASN 207 N -0.35 -0.08 -0.18 4.36 0.01 -0.63 -4.53 114.94 113.55 3fg0 s ASN 207 Ca 0.03 0.14 0.01 0.00 -0.71 0.00 0.00 52.86 52.33 3fg0 s ASN 207 Cb -0.11 0.20 0.02 0.00 0.41 0.00 0.00 41.25 41.77 3fg0 s ASN 207 CO 0.01 -0.07 -0.18 -0.22 -1.51 0.00 0.00 177.10 175.13 3fg0 s LEU 208 N -0.11 2.07 -0.11 0.60 2.96 0.11 -0.47 118.68 123.73 3fg0 s LEU 208 Ca -0.02 -0.65 -0.03 0.00 -0.22 0.00 0.00 54.13 53.22 3fg0 s LEU 208 Cb -0.02 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.25 3fg0 s LEU 208 CO 0.00 -0.03 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.36 3fg0 s ILE 209 N 1.34 4.19 -0.15 6.68 -1.09 -0.25 -1.07 121.20 130.86 3fg0 s ILE 209 Ca 0.04 -0.28 0.01 0.00 -2.23 0.00 0.00 60.65 58.19 3fg0 s ILE 209 Cb -0.13 -2.79 -0.00 0.00 -1.58 0.00 0.00 42.46 37.96 3fg0 s ILE 209 CO -0.12 0.56 -0.17 -0.76 -1.23 0.00 0.00 174.94 173.22 3fg0 s LEU 210 N -0.42 2.40 0.00 2.97 1.43 -1.26 -4.11 118.68 119.68 3fg0 s LEU 210 Ca 0.08 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 3fg0 s LEU 210 Cb -0.12 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 44.56 3fg0 s LEU 210 CO 0.02 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.30 3fg0 n GLY 211 N 4.01 0.97 3.77 -3.19 0.00 -1.26 0.60 105.19 110.09 3fg0 n GLY 211 Ca -0.19 -1.02 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 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 3.39 0.38 4.61 0.00 -1.26 -4.30 121.76 122.58 3fg0 s ALA 212 Ca 0.00 1.21 0.05 0.00 0.00 0.00 0.00 51.96 53.22 3fg0 s ALA 212 Cb 0.00 -3.47 0.74 0.00 0.00 0.00 0.00 23.12 20.39 3fg0 s ALA 212 CO 0.00 -0.67 2.02 0.78 0.00 0.00 0.00 175.76 177.89 3fg0 h GLY 213 N 3.12 0.71 2.00 0.00 0.00 -1.96 -1.13 103.07 105.81 3fg0 h GLY 213 Ca -0.49 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3fg0 h GLY 213 CO 0.64 0.27 0.00 1.48 0.00 0.00 0.00 176.54 178.94 3fg0 h SER 214 N 0.68 0.00 0.00 0.19 4.64 -1.98 -0.06 113.55 117.02 3fg0 h SER 214 Ca 0.18 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.36 3fg0 h SER 214 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 3fg0 h SER 214 CO -0.04 0.00 -1.09 1.21 -0.87 0.00 0.00 176.83 176.04 3fg0 n GLU 215 N -2.99 0.52 -0.00 4.77 2.13 -0.53 -4.70 120.64 119.84 3fg0 n GLU 215 Ca 0.01 0.47 0.07 0.00 0.66 0.00 0.00 57.16 58.37 3fg0 n GLU 215 Cb 0.32 -1.66 -0.08 0.00 0.27 0.00 0.00 31.44 30.29 3fg0 n GLU 215 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3fg0 n VAL 216 N -4.49 0.00 -0.09 6.31 0.24 -0.60 -4.57 118.33 115.13 3fg0 n VAL 216 Ca -0.23 -0.18 -0.08 0.00 -2.04 0.00 0.00 64.34 61.81 3fg0 n VAL 216 Cb 0.52 0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 33.81 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 3.28 0.45 1.59 7.63 0.00 -1.10 -2.51 103.07 112.41 3fg0 h GLY 217 Ca 0.00 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.14 3fg0 h GLY 217 CO 0.00 0.14 0.04 -0.55 0.00 0.00 0.00 176.54 176.17 3fg0 h ASP 218 N 0.40 0.48 -0.52 0.19 5.19 -1.82 -1.64 116.42 118.71 3fg0 h ASP 218 Ca 0.13 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3fg0 h ASP 218 Cb -0.01 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 3fg0 h ASP 218 CO -0.05 0.52 0.31 0.58 -3.12 0.00 0.00 179.24 177.47 3fg0 h VAL 219 N 0.51 1.16 0.00 -1.35 2.07 -1.74 -0.59 116.25 116.31 3fg0 h VAL 219 Ca 0.12 -0.37 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 3fg0 h VAL 219 Cb 0.26 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 3fg0 h VAL 219 CO 0.00 0.17 -0.37 0.24 0.02 0.00 0.00 177.57 177.63 3fg0 h MET 220 N 0.69 0.00 0.00 1.57 2.86 -0.92 -2.69 114.93 116.44 3fg0 h MET 220 Ca 0.18 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.82 3fg0 h MET 220 Cb -0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3fg0 h MET 220 CO -0.03 0.37 -1.31 -1.13 1.06 0.00 0.00 176.91 175.86 3fg0 n SER 221 N -3.89 0.52 -0.28 1.22 3.41 -0.73 -4.53 113.62 109.33 3fg0 n SER 221 Ca -0.01 0.02 0.03 0.00 -0.26 0.00 0.00 58.87 58.65 3fg0 n SER 221 Cb 0.43 1.04 0.04 0.00 -0.26 0.00 0.00 64.21 65.47 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 1.28 0.15 3.74 5.00 0.00 -0.24 -3.20 105.19 111.92 3fg0 n GLY 222 Ca -0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 3fg0 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fg0 s HIS 223 N -0.65 3.57 0.42 1.61 2.46 -1.02 -4.83 115.29 116.85 3fg0 s HIS 223 Ca 0.09 1.58 0.30 0.00 0.47 0.00 0.00 55.06 57.50 3fg0 s HIS 223 Cb 0.06 -3.29 1.58 0.00 -0.13 0.00 0.00 32.58 30.80 3fg0 s HIS 223 CO 0.08 -0.68 2.11 1.57 -2.47 0.00 0.00 174.74 175.36 3fg0 h LYS 224 N 5.10 0.00 -0.00 2.88 2.10 -1.95 -2.54 116.57 122.15 3fg0 h LYS 224 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 3fg0 h LYS 224 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3fg0 h LYS 224 CO 0.73 0.08 -0.01 0.39 -2.00 0.00 0.00 179.45 178.64 3fg0 n GLU 225 N -3.54 1.01 -3.23 0.07 -0.58 -1.26 -4.83 120.64 108.29 3fg0 n GLU 225 Ca -0.02 -0.13 -0.39 0.00 -0.42 0.00 0.00 57.16 56.21 3fg0 n GLU 225 Cb 0.21 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.53 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 -2.07 4.97 -0.06 2.62 1.01 -0.96 -4.56 120.40 121.34 3fg0 s VAL 226 Ca 0.44 1.19 0.21 0.00 0.00 0.00 0.00 61.98 63.82 3fg0 s VAL 226 Cb 0.22 -3.91 -0.32 0.00 0.00 0.00 0.00 36.38 32.37 3fg0 s VAL 226 CO 0.38 0.40 0.40 0.47 0.00 0.00 0.00 175.10 176.76 3fg0 n ASP 227 N 2.88 0.01 -3.69 3.32 8.00 0.12 -4.87 116.55 122.32 3fg0 n ASP 227 Ca -0.07 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.32 3fg0 n ASP 227 Cb 0.51 1.79 -0.09 0.00 -0.02 0.00 0.00 41.12 43.31 3fg0 n ASP 227 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fg0 s LEU 228 N -4.72 -0.19 -0.19 0.64 2.96 -1.13 -3.17 118.68 112.89 3fg0 s LEU 228 Ca -0.08 1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.87 3fg0 s LEU 228 Cb 0.12 1.72 -0.01 0.00 0.50 0.00 0.00 46.19 48.53 3fg0 s LEU 228 CO 0.89 -0.20 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.98 3fg0 s VAL 229 N 0.93 3.38 -0.16 1.68 1.01 -0.56 -1.08 120.40 125.60 3fg0 s VAL 229 Ca -0.05 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3fg0 s VAL 229 Cb -0.06 -2.50 0.02 0.00 0.00 0.00 0.00 36.38 33.84 3fg0 s VAL 229 CO -0.08 0.46 -0.18 -0.55 0.00 0.00 0.00 175.10 174.75 3fg0 s SER 230 N 1.02 2.94 -0.01 3.32 0.15 -0.15 -1.54 113.70 119.43 3fg0 s SER 230 Ca 0.00 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.11 3fg0 s SER 230 Cb -0.15 -1.35 -0.01 0.00 -1.71 0.00 0.00 66.02 62.80 3fg0 s SER 230 CO -0.00 -0.02 -0.11 0.12 1.20 0.00 0.00 173.24 174.43 3fg0 s PHE 231 N 1.34 1.07 -0.08 3.44 5.36 -0.47 -1.22 117.98 127.40 3fg0 s PHE 231 Ca 0.04 -0.22 0.02 0.00 -0.96 0.00 0.00 56.93 55.81 3fg0 s PHE 231 Cb -0.13 -0.70 0.01 0.00 -0.34 0.00 0.00 43.02 41.86 3fg0 s PHE 231 CO -0.11 -0.04 -0.13 0.99 -1.46 0.00 0.00 175.22 174.47 3fg0 s THR 232 N -0.16 1.22 -1.16 0.12 2.01 -0.94 -1.50 115.64 115.23 3fg0 s THR 232 Ca 0.03 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.52 3fg0 s THR 232 Cb -0.06 -1.12 0.00 0.00 0.01 0.00 0.00 72.50 71.33 3fg0 s THR 232 CO -0.00 0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3fg0 n GLY 233 N 4.03 -0.70 3.96 4.40 0.00 -0.54 -3.31 105.19 113.03 3fg0 n GLY 233 Ca -0.21 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.25 3fg0 n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 234 N 0.00 1.61 0.26 -0.02 0.00 -1.26 -3.60 107.32 104.30 3fg0 s GLY 234 Ca 0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 43.52 3fg0 s GLY 234 CO 0.00 -1.01 1.78 0.16 0.00 0.00 0.00 173.10 174.03 3fg0 h ILE 235 N 0.47 1.24 -0.31 0.90 3.07 -1.92 -1.54 117.51 119.42 3fg0 h ILE 235 Ca -0.46 -0.91 -0.07 0.00 1.55 0.00 0.00 64.86 64.98 3fg0 h ILE 235 Cb 1.26 0.71 -0.01 0.00 -0.27 0.00 0.00 36.82 38.51 3fg0 h ILE 235 CO 0.56 0.33 -0.08 1.05 -1.05 0.00 0.00 178.15 178.96 3fg0 h GLU 236 N 0.84 0.60 -0.39 0.16 4.11 -1.95 -1.25 114.58 116.70 3fg0 h GLU 236 Ca 0.18 -0.23 -0.13 0.00 0.07 0.00 0.00 59.36 59.25 3fg0 h GLU 236 Cb 0.36 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3fg0 h GLU 236 CO 0.01 0.79 -0.27 1.15 0.07 0.00 0.00 179.01 180.76 3fg0 h THR 237 N 0.37 1.27 -0.64 -1.06 2.02 -1.97 -2.65 112.91 110.25 3fg0 h THR 237 Ca 0.08 -1.41 -0.02 0.00 0.77 0.00 0.00 66.41 65.83 3fg0 h THR 237 Cb 0.57 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 68.21 3fg0 h THR 237 CO 0.03 0.47 0.32 1.23 0.37 0.00 0.00 175.52 177.94 3fg0 h GLY 238 N 0.93 0.99 1.03 2.16 0.00 -1.01 -0.57 103.07 106.60 3fg0 h GLY 238 Ca 0.09 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 3fg0 h GLY 238 CO 0.07 0.46 0.16 0.50 0.00 0.00 0.00 176.54 177.72 3fg0 h LYS 239 N 0.89 1.02 -0.50 4.80 1.57 -1.18 -1.14 116.57 122.03 3fg0 h LYS 239 Ca 0.22 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3fg0 h LYS 239 Cb 0.10 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 3fg0 h LYS 239 CO -0.03 0.92 0.32 1.25 -0.57 0.00 0.00 179.45 181.34 3fg0 h HIS 240 N 0.94 0.65 -0.56 -1.35 2.76 -1.08 -1.45 115.15 115.06 3fg0 h HIS 240 Ca 0.20 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3fg0 h HIS 240 Cb 0.36 -0.22 -0.03 0.00 1.55 0.00 0.00 27.41 29.07 3fg0 h HIS 240 CO 0.03 0.44 0.29 0.82 -1.30 0.00 0.00 177.93 178.21 3fg0 h ILE 241 N 0.68 1.19 -0.47 6.26 2.04 -0.89 -1.42 117.51 124.90 3fg0 h ILE 241 Ca 0.18 -0.51 -0.03 0.00 1.00 0.00 0.00 64.86 65.49 3fg0 h ILE 241 Cb -0.04 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 3fg0 h ILE 241 CO -0.04 0.21 0.16 -0.03 0.00 0.00 0.00 178.15 178.46 3fg0 h MET 242 N 0.76 0.71 -0.53 2.37 4.05 -0.95 0.13 114.93 121.48 3fg0 h MET 242 Ca 0.20 -0.15 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3fg0 h MET 242 Cb 0.07 -0.11 -0.03 0.00 -0.80 0.00 0.00 31.60 30.74 3fg0 h MET 242 CO -0.03 0.67 0.20 0.87 0.23 0.00 0.00 176.91 178.85 3fg0 h LYS 243 N 0.61 0.77 -0.22 0.39 1.57 -1.07 -1.61 116.57 117.01 3fg0 h LYS 243 Ca 0.15 -0.12 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 3fg0 h LYS 243 Cb 0.24 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 3fg0 h LYS 243 CO -0.01 0.64 -0.59 -0.97 -0.57 0.00 0.00 179.45 177.95 3fg0 h ASN 244 N 0.76 0.80 -0.17 0.86 -1.24 -0.69 -3.04 115.58 112.86 3fg0 h ASN 244 Ca 0.18 -0.45 -0.02 0.00 0.71 0.00 0.00 56.30 56.73 3fg0 h ASN 244 Cb 0.17 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.98 3fg0 h ASN 244 CO -0.02 1.21 0.07 0.00 -1.29 0.00 0.00 177.43 177.41 3fg0 h ALA 245 N 0.80 1.71 -0.37 1.57 0.00 -0.34 -2.44 119.26 120.19 3fg0 h ALA 245 Ca 0.00 -0.08 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3fg0 h ALA 245 Cb 1.17 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3fg0 h ALA 245 CO 0.12 0.23 0.27 0.00 0.00 0.00 0.00 179.25 179.87 3fg0 h ALA 246 N 1.77 2.33 -0.51 0.00 0.00 -1.18 -1.94 119.26 119.73 3fg0 h ALA 246 Ca 0.08 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.07 3fg0 h ALA 246 Cb 0.10 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 3fg0 h ALA 246 CO -0.01 -0.46 0.35 -0.91 0.00 0.00 0.00 179.25 178.22 3fg0 h ASN 247 N 0.00 0.24 -0.10 0.00 2.35 -1.55 -0.94 115.58 115.57 3fg0 h ASN 247 Ca 0.18 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3fg0 h ASN 247 Cb 0.71 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.04 3fg0 h ASN 247 CO -0.00 0.15 0.00 0.59 -1.65 0.00 0.00 177.43 176.51 3fg0 n ASN 248 N -4.46 2.72 -3.79 5.81 4.13 -1.02 -4.98 115.26 113.67 3fg0 n ASN 248 Ca 0.08 -2.73 -0.25 0.00 1.68 0.00 0.00 54.58 53.37 3fg0 n ASN 248 Cb 0.39 -0.35 0.03 0.00 -1.54 0.00 0.00 39.78 38.31 3fg0 n ASN 248 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3fg0 n VAL 249 N -0.80 -3.45 -3.12 2.41 0.31 -0.36 -4.94 118.33 108.39 3fg0 n VAL 249 Ca 0.13 -0.30 -0.39 0.00 -0.01 0.00 0.00 64.34 63.78 3fg0 n VAL 249 Cb 0.60 -3.39 -0.05 0.00 -0.91 0.00 0.00 33.84 30.09 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 -3.53 4.96 0.30 2.52 2.01 -0.76 -5.02 115.64 116.13 3fg0 s THR 250 Ca 0.27 1.36 -0.28 0.00 0.31 0.00 0.00 61.69 63.35 3fg0 s THR 250 Cb -0.14 -3.99 -0.13 0.00 0.01 0.00 0.00 72.50 68.25 3fg0 s THR 250 CO 0.82 0.34 1.14 0.59 -0.69 0.00 0.00 174.62 176.81 3fg0 n ASN 251 N 3.23 1.90 -4.13 3.53 3.02 -1.19 -4.69 115.26 116.92 3fg0 n ASN 251 Ca -0.04 1.19 -0.24 0.00 -0.03 0.00 0.00 54.58 55.46 3fg0 n ASN 251 Cb 0.51 -1.36 -0.15 0.00 -0.61 0.00 0.00 39.78 38.16 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 -0.98 1.26 -0.12 2.41 -5.25 -1.26 -1.50 121.20 115.76 3fg0 s ILE 252 Ca 0.59 -0.66 0.02 0.00 -0.99 0.00 0.00 60.65 59.60 3fg0 s ILE 252 Cb -0.66 -1.06 0.01 0.00 2.95 0.00 0.00 42.46 43.71 3fg0 s ILE 252 CO 0.60 0.36 -0.16 0.00 -1.79 0.00 0.00 174.94 173.95 3fg0 s ALA 253 N -0.24 1.82 -0.01 2.27 0.00 -0.59 -4.74 121.76 120.26 3fg0 s ALA 253 Ca 0.03 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.19 3fg0 s ALA 253 Cb -0.07 -0.89 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 3fg0 s ALA 253 CO 0.00 -0.11 -0.06 -0.51 0.00 0.00 0.00 175.76 175.08 3fg0 s LEU 254 N 1.03 1.92 -0.14 0.00 1.43 0.41 -1.37 118.68 121.95 3fg0 s LEU 254 Ca -0.05 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.93 3fg0 s LEU 254 Cb -0.15 -0.34 0.03 0.00 0.03 0.00 0.00 46.19 45.76 3fg0 s LEU 254 CO -0.03 0.06 -0.09 -0.70 0.23 0.00 0.00 176.35 175.82 3fg0 s GLU 255 N -0.00 1.73 -0.15 1.70 -6.30 -0.56 -1.06 118.70 114.06 3fg0 s GLU 255 Ca 0.01 -0.42 0.14 0.00 -2.50 0.00 0.00 54.97 52.20 3fg0 s GLU 255 Cb -0.04 -1.85 0.35 0.00 0.00 0.00 0.00 34.13 32.59 3fg0 s GLU 255 CO -0.00 -0.30 1.18 1.28 0.02 0.00 0.00 175.26 177.43 3fg0 n LEU 256 N 4.87 2.25 0.00 2.70 4.77 0.25 -1.47 117.00 130.36 3fg0 n LEU 256 Ca -0.14 -3.26 0.00 0.00 -0.03 0.00 0.00 56.01 52.58 3fg0 n LEU 256 Cb 0.49 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3fg0 n LEU 256 CO 0.18 1.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 3fg0 n GLY 257 N -1.00 -1.81 3.81 -0.72 0.00 -1.24 -3.82 105.19 100.41 3fg0 n GLY 257 Ca 0.15 -1.62 -0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.33 -0.17 -0.61 -0.02 0.00 -1.21 -4.53 107.32 100.45 3fg0 s GLY 258 Ca 0.00 0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.93 3fg0 s GLY 258 CO 0.00 2.17 0.40 1.25 0.00 0.00 0.00 173.10 176.91 3fg0 s LYS 259 N -2.38 2.12 -0.29 2.90 2.47 -1.26 -4.67 119.74 118.63 3fg0 s LYS 259 Ca 0.20 -2.95 -0.22 0.00 -1.56 0.00 0.00 55.97 51.44 3fg0 s LYS 259 Cb 0.01 -3.17 -0.01 0.00 -1.46 0.00 0.00 37.83 33.20 3fg0 s LYS 259 CO 0.00 -1.23 0.71 -0.80 0.16 0.00 0.00 175.35 174.19 3fg0 s ASN 260 N -0.87 6.60 0.37 1.43 0.01 -1.26 -4.89 114.94 116.34 3fg0 s ASN 260 Ca 0.22 0.61 -0.24 0.00 -0.71 0.00 0.00 52.86 52.75 3fg0 s ASN 260 Cb -0.12 -2.37 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 3fg0 s ASN 260 CO -0.11 -0.52 0.95 -2.16 -1.51 0.00 0.00 177.10 173.75 3fg0 s PRO 261 N 2.75 4.41 -0.33 -0.60 0.04 -1.25 -2.96 135.00 137.05 3fg0 s PRO 261 Ca 0.29 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.59 3fg0 s PRO 261 Cb -0.15 -2.51 0.10 0.00 0.04 0.00 0.00 34.50 31.98 3fg0 s PRO 261 CO 0.11 0.13 0.06 1.21 0.04 0.00 0.00 177.00 178.56 3fg0 s ASN 262 N -1.87 4.57 -0.32 6.66 3.84 0.10 -1.35 114.94 126.57 3fg0 s ASN 262 Ca 0.56 -2.02 -0.16 0.00 0.21 0.00 0.00 52.86 51.44 3fg0 s ASN 262 Cb -0.14 -1.42 -0.02 0.00 -0.55 0.00 0.00 41.25 39.12 3fg0 s ASN 262 CO 0.19 -0.39 0.42 -0.63 -2.79 0.00 0.00 177.10 173.90 3fg0 s ILE 263 N 1.09 5.11 -0.28 -5.21 1.01 -0.15 -1.21 121.20 121.57 3fg0 s ILE 263 Ca 0.11 0.33 0.01 0.00 0.00 0.00 0.00 60.65 61.09 3fg0 s ILE 263 Cb -0.19 -3.84 0.05 0.00 0.01 0.00 0.00 42.46 38.50 3fg0 s ILE 263 CO -0.13 -0.06 -0.06 -0.63 0.00 0.00 0.00 174.94 174.06 3fg0 s ILE 264 N 2.17 2.55 0.63 2.92 1.01 0.14 -0.48 121.20 130.15 3fg0 s ILE 264 Ca 0.15 -1.50 -0.08 0.00 0.00 0.00 0.00 60.65 59.23 3fg0 s ILE 264 Cb -0.16 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.85 3fg0 s ILE 264 CO 0.12 -0.05 0.97 -0.36 0.00 0.00 0.00 174.94 175.62 3fg0 s PHE 265 N 1.18 3.29 -0.87 3.97 0.08 -0.69 -1.22 117.98 123.72 3fg0 s PHE 265 Ca -0.07 0.80 0.23 0.00 0.12 0.00 0.00 56.93 58.01 3fg0 s PHE 265 Cb -0.20 -2.85 0.93 0.00 -0.57 0.00 0.00 43.02 40.33 3fg0 s PHE 265 CO -0.03 -0.94 1.72 -0.40 -0.10 0.00 0.00 175.22 175.47 3fg0 n ASP 266 N -2.74 0.24 -1.81 1.36 5.68 -1.26 -1.62 116.55 116.41 3fg0 n ASP 266 Ca 0.05 0.54 0.08 0.00 -0.50 0.00 0.00 54.79 54.96 3fg0 n ASP 266 Cb 0.57 -0.60 0.39 0.00 -1.14 0.00 0.00 41.12 40.35 3fg0 n ASP 266 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3fg0 n ASP 267 N -1.74 5.46 -4.78 -1.12 5.75 -1.26 -4.94 116.55 113.91 3fg0 n ASP 267 Ca 0.05 -2.78 -0.32 0.00 -0.01 0.00 0.00 54.79 51.73 3fg0 n ASP 267 Cb 0.28 -0.65 0.06 0.00 -1.03 0.00 0.00 41.12 39.78 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 -2.47 2.48 -0.35 2.12 0.00 -0.64 -1.43 121.76 121.46 3fg0 s ALA 268 Ca 0.54 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.57 3fg0 s ALA 268 Cb 0.39 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3fg0 s ALA 268 CO 0.19 -1.35 1.82 0.34 0.00 0.00 0.00 175.76 176.76 3fg0 s ASP 269 N -3.07 5.81 0.09 0.00 -1.08 -1.26 -4.82 116.67 112.34 3fg0 s ASP 269 Ca 0.63 1.24 -0.24 0.00 -0.52 0.00 0.00 52.55 53.66 3fg0 s ASP 269 Cb -0.18 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.61 3fg0 s ASP 269 CO 0.48 -1.78 1.72 0.15 0.52 0.00 0.00 175.17 176.25 3fg0 h PHE 270 N 13.19 -0.14 -0.05 -5.34 3.57 -1.93 -1.40 116.94 124.83 3fg0 h PHE 270 Ca -0.33 -0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.06 3fg0 h PHE 270 Cb 1.17 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.95 3fg0 h PHE 270 CO 0.96 -0.09 -0.46 0.93 -2.23 0.00 0.00 178.31 177.42 3fg0 h GLU 271 N -0.14 0.12 -0.43 1.11 4.39 -1.99 -0.32 114.58 117.33 3fg0 h GLU 271 Ca -0.00 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3fg0 h GLU 271 Cb 0.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3fg0 h GLU 271 CO 0.00 0.56 0.20 1.25 -1.16 0.00 0.00 179.01 179.87 3fg0 h LEU 272 N 0.10 0.57 -0.82 1.33 5.85 -1.93 -1.59 115.31 118.83 3fg0 h LEU 272 Ca 0.00 -0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 3fg0 h LEU 272 Cb 0.86 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 3fg0 h LEU 272 CO 0.07 0.54 0.11 0.00 -0.34 0.00 0.00 178.44 178.81 3fg0 h ALA 273 N 1.05 1.03 -0.09 1.25 0.00 -0.65 -0.50 119.26 121.35 3fg0 h ALA 273 Ca 0.15 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3fg0 h ALA 273 Cb 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3fg0 h ALA 273 CO -0.02 0.62 0.03 0.28 0.00 0.00 0.00 179.25 180.16 3fg0 h VAL 274 N 0.94 1.17 -0.39 0.00 2.07 -0.99 -0.67 116.25 118.37 3fg0 h VAL 274 Ca 0.19 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.29 3fg0 h VAL 274 Cb 0.40 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 31.44 3fg0 h VAL 274 CO 0.01 0.14 -0.05 -0.78 0.02 0.00 0.00 177.57 176.91 3fg0 h ASP 275 N -0.04 -0.27 1.49 0.57 3.58 -0.96 -1.80 116.42 118.99 3fg0 h ASP 275 Ca 0.03 0.10 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 3fg0 h ASP 275 Cb 0.20 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 3fg0 h ASP 275 CO -0.00 -0.09 -0.14 1.56 -2.88 0.00 0.00 179.24 177.69 3fg0 h GLN 276 N 0.04 0.00 -0.21 0.28 1.08 -1.09 -1.67 115.11 113.54 3fg0 h GLN 276 Ca 0.19 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.20 3fg0 h GLN 276 Cb 0.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3fg0 h GLN 276 CO -0.36 0.14 -0.63 0.00 -0.95 0.00 0.00 178.83 177.03 3fg0 h ALA 277 N 1.86 0.48 -0.21 3.87 0.00 -0.53 0.19 119.26 124.92 3fg0 h ALA 277 Ca -0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3fg0 h ALA 277 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3fg0 h ALA 277 CO 0.02 0.69 0.11 -0.07 0.00 0.00 0.00 179.25 180.00 3fg0 h LEU 278 N 0.56 0.26 -0.53 0.00 3.38 -1.12 -1.40 115.31 116.47 3fg0 h LEU 278 Ca -0.01 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 3fg0 h LEU 278 Cb 1.23 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3fg0 h LEU 278 CO 0.13 0.29 0.29 0.78 0.09 0.00 0.00 178.44 180.01 3fg0 h ASN 279 N 0.22 0.66 -0.92 -0.43 2.35 -1.17 0.70 115.58 117.00 3fg0 h ASN 279 Ca 0.07 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3fg0 h ASN 279 Cb 0.08 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3fg0 h ASN 279 CO -0.01 0.57 0.57 1.23 -1.65 0.00 0.00 177.43 178.13 3fg0 h GLY 280 N 0.70 1.32 1.27 2.83 0.00 -0.55 -2.85 103.07 105.80 3fg0 h GLY 280 Ca 0.18 -0.53 -0.20 0.00 0.00 0.00 0.00 47.33 46.78 3fg0 h GLY 280 CO -0.03 0.52 -1.32 -1.33 0.00 0.00 0.00 176.54 174.38 3fg0 h GLY 281 N 1.26 0.00 0.00 4.60 0.00 -0.85 0.49 103.07 108.56 3fg0 h GLY 281 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3fg0 h GLY 281 CO -0.06 0.00 -0.05 -1.72 0.00 0.00 0.00 176.54 174.70 3fg0 n TYR 282 N -3.05 0.00 -1.62 5.60 4.01 0.20 -3.50 117.16 118.80 3fg0 n TYR 282 Ca -0.09 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.19 3fg0 n TYR 282 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.91 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 -0.95 1.66 -3.33 -0.72 3.01 -1.08 -1.02 117.46 115.03 3fg0 n PHE 283 Ca 0.00 0.59 -0.23 0.00 1.01 0.00 0.00 57.45 58.82 3fg0 n PHE 283 Cb 0.00 -2.34 0.00 0.00 -0.01 0.00 0.00 39.48 37.13 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 1.28 -1.81 -2.93 1.38 -0.00 -1.26 -1.25 115.22 110.63 3fg0 n HIS 284 Ca 0.12 0.48 -0.21 0.00 0.46 0.00 0.00 57.72 58.57 3fg0 n HIS 284 Cb 0.29 -3.14 0.01 0.00 -0.12 0.00 0.00 29.99 27.03 3fg0 n HIS 284 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fg0 n ALA 285 N -3.53 -0.92 -0.98 1.57 0.00 -0.19 -1.61 120.51 114.85 3fg0 n ALA 285 Ca -0.03 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.60 3fg0 n ALA 285 Cb 0.55 -2.98 0.00 0.00 0.00 0.00 0.00 19.45 17.02 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 -1.24 0.53 2.45 0.00 0.00 -0.38 -0.75 105.19 105.79 3fg0 n GLY 286 Ca -0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 3fg0 n GLY 286 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fg0 n GLN 287 N -2.23 4.00 -4.43 1.61 6.02 -0.63 -3.74 117.38 117.98 3fg0 n GLN 287 Ca 0.00 -3.05 -0.21 0.00 -0.01 0.00 0.00 57.00 53.73 3fg0 n GLN 287 Cb 0.06 -2.53 -0.15 0.00 1.02 0.00 0.00 30.24 28.64 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 -1.03 0.85 0.38 5.09 1.01 -1.26 -4.84 120.40 120.59 3fg0 s VAL 288 Ca 0.57 -0.40 0.08 0.00 0.00 0.00 0.00 61.98 62.23 3fg0 s VAL 288 Cb 0.23 -0.75 0.30 0.00 0.00 0.00 0.00 36.38 36.17 3fg0 s VAL 288 CO -0.12 0.26 1.95 0.00 0.00 0.00 0.00 175.10 177.20 3fg0 n SER 290 N -4.49 5.33 -4.69 0.00 3.41 -1.26 -3.30 113.62 108.62 3fg0 n SER 290 Ca 0.11 -2.75 -0.43 0.00 -0.26 0.00 0.00 58.87 55.54 3fg0 n SER 290 Cb 0.29 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3fg0 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg0 n ALA 291 N 0.79 1.39 -2.12 7.33 0.00 -0.52 -4.85 120.51 122.52 3fg0 n ALA 291 Ca 0.27 0.38 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 3fg0 n ALA 291 Cb 1.08 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 18.24 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 1.46 4.25 0.20 0.00 0.00 0.16 -4.00 105.19 107.26 3fg0 n GLY 292 Ca 0.08 -1.78 0.11 0.00 0.00 0.00 0.00 46.02 44.43 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 6.18 0.00 -3.58 1.61 4.64 -1.79 -3.35 113.55 117.25 3fg0 h SER 293 Ca 0.48 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 61.09 3fg0 h SER 293 Cb 0.68 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.44 3fg0 h SER 293 CO 1.70 0.04 -0.45 -0.60 -0.87 0.00 0.00 176.83 176.65 3fg0 s ARG 294 N -3.20 2.28 -0.07 4.77 3.52 -1.16 -0.87 118.95 124.22 3fg0 s ARG 294 Ca 0.06 -1.97 -0.20 0.00 -0.13 0.00 0.00 55.73 53.49 3fg0 s ARG 294 Cb 0.06 -3.73 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 3fg0 s ARG 294 CO 0.69 -1.13 0.57 0.42 -0.81 0.00 0.00 175.30 175.04 3fg0 s ILE 295 N 0.93 5.08 -0.22 4.11 1.01 -0.22 -0.72 121.20 131.17 3fg0 s ILE 295 Ca 0.10 1.17 0.02 0.00 0.00 0.00 0.00 60.65 61.94 3fg0 s ILE 295 Cb -0.23 -3.91 0.04 0.00 0.01 0.00 0.00 42.46 38.37 3fg0 s ILE 295 CO -0.03 0.33 -0.15 -0.76 0.00 0.00 0.00 174.94 174.33 3fg0 s LEU 296 N 0.45 2.75 -0.03 2.97 1.43 -0.35 -0.91 118.68 125.00 3fg0 s LEU 296 Ca 0.31 -1.02 0.05 0.00 -1.03 0.00 0.00 54.13 52.44 3fg0 s LEU 296 Cb -0.17 -1.49 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 3fg0 s LEU 296 CO 0.14 -0.10 -0.18 0.54 0.23 0.00 0.00 176.35 176.98 3fg0 s VAL 297 N 1.21 1.49 0.36 -1.59 0.11 -0.05 0.26 120.40 122.20 3fg0 s VAL 297 Ca -0.02 -0.78 -0.28 0.00 -2.93 0.00 0.00 61.98 57.97 3fg0 s VAL 297 Cb -0.17 -1.26 -0.11 0.00 -1.53 0.00 0.00 36.38 33.32 3fg0 s VAL 297 CO -0.09 0.42 1.44 -1.58 -3.33 0.00 0.00 175.10 171.96 3fg0 s GLN 298 N -0.22 4.17 0.29 1.54 0.74 -0.35 -1.94 119.66 123.89 3fg0 s GLN 298 Ca 0.02 2.48 0.04 0.00 0.05 0.00 0.00 55.36 57.94 3fg0 s GLN 298 Cb -0.09 -2.99 0.65 0.00 1.10 0.00 0.00 33.01 31.67 3fg0 s GLN 298 CO 0.01 -0.44 1.81 -0.91 -0.55 0.00 0.00 175.29 175.20 3fg0 h ASN 299 N 3.10 0.86 0.11 6.67 -0.26 -0.82 -1.82 115.58 123.42 3fg0 h ASN 299 Ca -0.50 0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.29 3fg0 h ASN 299 Cb 1.24 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 38.40 3fg0 h ASN 299 CO 0.64 0.38 -0.08 0.77 -1.06 0.00 0.00 177.43 178.09 3fg0 h SER 300 N 0.88 0.00 -0.13 5.81 4.64 -1.90 -2.90 113.55 119.95 3fg0 h SER 300 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3fg0 h SER 300 Cb 0.70 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.79 3fg0 h SER 300 CO -0.32 0.08 0.00 2.30 -0.87 0.00 0.00 176.83 178.02 3fg0 n ILE 301 N -4.25 0.66 0.14 0.95 -5.35 -0.76 -4.81 119.36 105.95 3fg0 n ILE 301 Ca -0.03 -0.83 -0.14 0.00 -0.27 0.00 0.00 62.75 61.49 3fg0 n ILE 301 Cb 0.16 0.71 -0.07 0.00 -1.74 0.00 0.00 39.64 38.71 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 1.15 -0.35 -0.38 6.28 3.64 -1.15 0.14 116.57 125.90 3fg0 h LYS 302 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fg0 h LYS 302 Cb 0.50 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3fg0 h LYS 302 CO 0.00 -0.23 0.25 -0.44 -2.27 0.00 0.00 179.45 176.76 3fg0 h ASP 303 N -0.36 0.44 -0.65 4.20 3.32 -1.87 0.46 116.42 121.95 3fg0 h ASP 303 Ca -0.01 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3fg0 h ASP 303 Cb 0.32 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3fg0 h ASP 303 CO -0.00 0.31 0.40 0.50 -1.72 0.00 0.00 179.24 178.73 3fg0 h LYS 304 N 0.51 0.76 -0.02 3.56 3.64 -1.85 -1.11 116.57 122.07 3fg0 h LYS 304 Ca 0.14 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3fg0 h LYS 304 Cb -0.06 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 3fg0 h LYS 304 CO -0.03 0.50 0.01 0.35 -2.27 0.00 0.00 179.45 178.01 3fg0 h PHE 305 N 0.78 0.03 -0.45 1.91 3.57 -0.42 -1.40 116.94 120.96 3fg0 h PHE 305 Ca 0.27 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.85 3fg0 h PHE 305 Cb 0.04 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.69 3fg0 h PHE 305 CO -0.05 0.16 -0.01 0.93 -2.23 0.00 0.00 178.31 177.11 3fg0 h GLU 306 N -0.12 0.10 -0.79 1.11 5.08 -0.59 -0.29 114.58 119.07 3fg0 h GLU 306 Ca 0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3fg0 h GLU 306 Cb 0.15 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 3fg0 h GLU 306 CO -0.00 0.06 0.35 0.37 -1.00 0.00 0.00 179.01 178.79 3fg0 h GLN 307 N 0.10 1.17 -0.72 2.33 5.75 -1.16 -0.59 115.11 121.98 3fg0 h GLN 307 Ca 0.22 -0.19 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3fg0 h GLN 307 Cb 0.33 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3fg0 h GLN 307 CO -0.38 0.93 0.21 0.00 -2.65 0.00 0.00 178.83 176.93 3fg0 h ALA 308 N 1.18 1.00 -0.14 3.38 0.00 -0.61 -0.85 119.26 123.21 3fg0 h ALA 308 Ca 0.27 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 308 Cb 0.17 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3fg0 h ALA 308 CO -0.03 0.66 -0.01 1.25 0.00 0.00 0.00 179.25 181.13 3fg0 h LEU 309 N 1.08 0.26 -0.67 0.00 5.85 -0.79 -2.72 115.31 118.33 3fg0 h LEU 309 Ca 0.23 -0.33 0.01 0.00 0.84 0.00 0.00 57.88 58.64 3fg0 h LEU 309 Cb 0.33 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3fg0 h LEU 309 CO -0.00 0.52 0.44 0.40 -0.34 0.00 0.00 178.44 179.46 3fg0 h ILE 310 N -0.01 1.16 -0.87 4.05 2.04 -0.96 0.11 117.51 123.04 3fg0 h ILE 310 Ca 0.04 -0.31 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3fg0 h ILE 310 Cb 0.40 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3fg0 h ILE 310 CO 0.01 0.16 0.57 0.44 0.00 0.00 0.00 178.15 179.33 3fg0 h ASP 311 N 0.89 0.88 0.45 1.72 3.32 -1.14 -1.61 116.42 120.94 3fg0 h ASP 311 Ca 0.25 -0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.01 3fg0 h ASP 311 Cb -0.09 -0.19 0.02 0.00 0.22 0.00 0.00 39.33 39.29 3fg0 h ASP 311 CO -0.06 0.58 -1.27 0.03 -1.72 0.00 0.00 179.24 176.80 3fg0 h ARG 312 N 1.01 0.40 -0.90 3.56 2.47 -1.09 -3.28 114.38 116.54 3fg0 h ARG 312 Ca 0.36 -0.62 0.01 0.00 -1.26 0.00 0.00 59.98 58.47 3fg0 h ARG 312 Cb 0.14 0.22 -0.05 0.00 -1.65 0.00 0.00 29.97 28.64 3fg0 h ARG 312 CO -0.12 1.28 0.60 0.28 0.56 0.00 0.00 179.97 182.56 3fg0 h VAL 313 N 0.13 1.23 -0.01 2.04 2.07 -0.33 0.62 116.25 122.01 3fg0 h VAL 313 Ca -0.16 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3fg0 h VAL 313 Cb 1.97 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.64 3fg0 h VAL 313 CO 0.22 0.22 0.10 0.11 0.02 0.00 0.00 177.57 178.24 3fg0 h LYS 314 N 1.22 0.00 -0.02 1.57 1.57 -1.37 -2.20 116.57 117.34 3fg0 h LYS 314 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3fg0 h LYS 314 Cb -0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3fg0 h LYS 314 CO -0.07 0.00 -0.26 1.63 -0.57 0.00 0.00 179.45 180.18 3fg0 n LYS 315 N -3.07 1.69 -1.88 3.15 5.02 0.20 -4.97 118.16 118.30 3fg0 n LYS 315 Ca -0.03 -1.39 -0.42 0.00 -2.02 0.00 0.00 58.31 54.46 3fg0 n LYS 315 Cb 0.16 -1.46 -0.03 0.00 -0.02 0.00 0.00 35.03 33.69 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 -2.22 2.40 -0.37 -0.18 1.01 -0.83 -4.95 121.20 116.06 3fg0 s ILE 316 Ca 0.22 0.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 3fg0 s ILE 316 Cb 0.18 -3.19 0.00 0.00 0.01 0.00 0.00 42.46 39.46 3fg0 s ILE 316 CO 0.44 0.03 0.40 -0.54 0.00 0.00 0.00 174.94 175.28 3fg0 s LYS 317 N 0.48 3.38 0.14 2.79 -0.14 -1.26 -5.00 119.74 120.13 3fg0 s LYS 317 Ca 0.67 -0.53 -0.08 0.00 -1.36 0.00 0.00 55.97 54.67 3fg0 s LYS 317 Cb -0.45 -3.87 -0.06 0.00 -1.68 0.00 0.00 37.83 31.77 3fg0 s LYS 317 CO 0.37 -0.66 0.43 -0.51 -0.76 0.00 0.00 175.35 174.22 3fg0 s LEU 318 N 2.09 4.27 0.00 3.17 1.02 -1.26 -0.37 118.68 127.60 3fg0 s LEU 318 Ca 0.12 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.02 3fg0 s LEU 318 Cb -0.17 -3.30 0.00 0.00 0.02 0.00 0.00 46.19 42.75 3fg0 s LEU 318 CO 0.12 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.17 3fg0 n GLY 319 N 0.30 -0.71 3.71 -3.19 0.00 -1.04 -4.91 105.19 99.36 3fg0 n GLY 319 Ca -0.03 -1.02 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 3fg0 n GLY 319 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3fg0 s ASN 320 N -4.00 6.73 0.59 1.61 3.84 -1.26 -4.30 114.94 118.14 3fg0 s ASN 320 Ca 0.00 2.39 0.29 0.00 0.21 0.00 0.00 52.86 55.75 3fg0 s ASN 320 Cb 0.00 -2.58 1.75 0.00 -0.55 0.00 0.00 41.25 39.87 3fg0 s ASN 320 CO 0.00 -0.76 2.19 1.23 -2.79 0.00 0.00 177.10 176.98 3fg0 h GLY 321 N 7.46 0.00 2.00 1.21 0.00 -1.81 0.52 103.07 112.45 3fg0 h GLY 321 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3fg0 h GLY 321 CO 0.90 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.13 3fg0 n PHE 322 N -3.83 0.43 -3.12 5.60 3.72 -1.26 -1.47 117.46 117.53 3fg0 n PHE 322 Ca -0.01 0.14 -0.40 0.00 -0.05 0.00 0.00 57.45 57.13 3fg0 n PHE 322 Cb 0.18 -0.72 -0.06 0.00 -0.94 0.00 0.00 39.48 37.95 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 -3.70 6.74 0.56 4.37 -1.08 0.17 -4.91 116.67 118.83 3fg0 s ASP 323 Ca 0.11 0.90 0.27 0.00 -0.52 0.00 0.00 52.55 53.31 3fg0 s ASP 323 Cb 0.14 -2.36 1.49 0.00 -1.46 0.00 0.00 42.92 40.74 3fg0 s ASP 323 CO 0.51 -0.23 2.02 0.00 0.52 0.00 0.00 175.17 177.99 3fg0 h ALA 324 N 7.28 2.19 0.00 3.66 0.00 -1.85 -1.33 119.26 129.21 3fg0 h ALA 324 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fg0 h ALA 324 Cb 1.15 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3fg0 h ALA 324 CO 0.77 -0.52 -0.16 -0.25 0.00 0.00 0.00 179.25 179.10 3fg0 n ASP 325 N -4.07 0.76 -4.73 0.00 8.00 -1.26 -4.86 116.55 110.39 3fg0 n ASP 325 Ca 0.06 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.60 3fg0 n ASP 325 Cb 0.50 -0.54 -0.02 0.00 -0.02 0.00 0.00 41.12 41.03 3fg0 n ASP 325 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fg0 s THR 326 N -3.11 2.54 -0.08 -3.53 2.01 -0.50 -4.83 115.64 108.13 3fg0 s THR 326 Ca 0.10 0.42 0.13 0.00 0.31 0.00 0.00 61.69 62.65 3fg0 s THR 326 Cb 0.13 -3.27 -0.20 0.00 0.01 0.00 0.00 72.50 69.17 3fg0 s THR 326 CO 0.63 0.05 0.18 -0.62 -0.69 0.00 0.00 174.62 174.16 3fg0 n GLU 327 N 2.99 1.16 -3.72 4.92 1.02 0.51 -4.98 120.64 122.53 3fg0 n GLU 327 Ca 0.10 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 57.04 3fg0 n GLU 327 Cb 0.39 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 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 -2.65 0.15 0.00 3.49 1.75 -0.76 -4.86 119.30 116.41 3fg0 s MET 328 Ca -0.06 0.51 0.00 0.00 -1.25 0.00 0.00 55.69 54.89 3fg0 s MET 328 Cb 0.07 -0.15 0.00 0.00 2.84 0.00 0.00 34.83 37.59 3fg0 s MET 328 CO 0.58 -0.19 0.00 0.41 -0.65 0.00 0.00 175.02 175.17 3fg0 n GLY 329 N 4.45 0.33 3.84 2.11 0.00 -1.26 -2.49 105.19 112.17 3fg0 n GLY 329 Ca -0.22 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.64 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 -1.52 1.95 0.81 1.61 0.04 -1.26 -4.72 135.00 131.91 3fg0 s PRO 330 Ca 0.00 0.40 -0.08 0.00 0.04 0.00 0.00 61.00 61.35 3fg0 s PRO 330 Cb 0.00 -1.92 0.14 0.00 0.04 0.00 0.00 34.50 32.75 3fg0 s PRO 330 CO 0.00 -1.66 1.12 0.14 0.04 0.00 0.00 177.00 176.65 3fg0 s VAL 331 N -3.32 2.12 0.10 -0.36 -7.23 0.36 -4.81 120.40 107.26 3fg0 s VAL 331 Ca 0.61 -0.28 -0.00 0.00 -1.81 0.00 0.00 61.98 60.50 3fg0 s VAL 331 Cb -0.13 -2.84 -0.25 0.00 0.56 0.00 0.00 36.38 33.72 3fg0 s VAL 331 CO 0.52 0.00 1.21 -0.29 -0.31 0.00 0.00 175.10 176.23 3fg0 h ILE 332 N -0.97 1.56 -3.19 -0.62 6.09 -1.85 -3.43 117.51 115.10 3fg0 h ILE 332 Ca -0.42 -3.12 0.01 0.00 -1.37 0.00 0.00 64.86 59.97 3fg0 h ILE 332 Cb 1.27 2.86 -0.08 0.00 0.47 0.00 0.00 36.82 41.34 3fg0 h ILE 332 CO 0.45 0.90 0.11 -0.94 -3.07 0.00 0.00 178.15 175.61 3fg0 s SER 333 N -6.99 -0.27 0.19 2.19 1.04 -1.26 -4.62 113.70 103.97 3fg0 s SER 333 Ca -0.02 -0.55 -0.10 0.00 0.48 0.00 0.00 55.95 55.75 3fg0 s SER 333 Cb 0.08 0.65 0.10 0.00 0.10 0.00 0.00 66.02 66.95 3fg0 s SER 333 CO 0.86 -1.19 1.73 0.74 0.98 0.00 0.00 173.24 176.36 3fg0 h THR 334 N 2.10 1.25 -0.24 2.02 2.02 -1.98 -1.21 112.91 116.86 3fg0 h THR 334 Ca -0.25 -0.83 0.03 0.00 0.77 0.00 0.00 66.41 66.13 3fg0 h THR 334 Cb 1.26 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.18 3fg0 h THR 334 CO 0.31 0.32 0.07 -0.08 0.37 0.00 0.00 175.52 176.51 3fg0 h GLU 335 N 0.96 0.17 -0.47 6.66 4.81 -1.99 -0.97 114.58 123.74 3fg0 h GLU 335 Ca 0.22 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.34 3fg0 h GLU 335 Cb 0.27 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3fg0 h GLU 335 CO -0.01 0.11 -0.07 1.25 -0.73 0.00 0.00 179.01 179.56 3fg0 h HIS 336 N 0.17 0.97 -0.68 0.92 2.76 -1.92 -1.14 115.15 116.24 3fg0 h HIS 336 Ca 0.11 -0.19 -0.00 0.00 -2.20 0.00 0.00 60.37 58.08 3fg0 h HIS 336 Cb 0.09 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 28.78 3fg0 h HIS 336 CO -0.14 0.94 0.40 -0.09 -1.30 0.00 0.00 177.93 177.75 3fg0 h ARG 337 N 0.72 0.92 -0.74 5.26 2.43 -1.06 -1.88 114.38 120.03 3fg0 h ARG 337 Ca 0.12 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3fg0 h ARG 337 Cb 0.60 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 3fg0 h ARG 337 CO 0.04 0.65 0.27 -0.91 -1.51 0.00 0.00 179.97 178.50 3fg0 h ASN 338 N 0.93 1.04 -0.00 -3.80 2.35 -0.61 -0.70 115.58 114.79 3fg0 h ASN 338 Ca 0.24 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 3fg0 h ASN 338 Cb -0.03 -0.27 -0.00 0.00 0.05 0.00 0.00 38.32 38.07 3fg0 h ASN 338 CO -0.05 0.94 -0.02 0.50 -1.65 0.00 0.00 177.43 177.16 3fg0 h LYS 339 N 1.09 -0.03 -0.36 0.81 3.64 -0.60 -0.84 116.57 120.27 3fg0 h LYS 339 Ca 0.25 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.64 3fg0 h LYS 339 Cb 0.25 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 3fg0 h LYS 339 CO -0.02 -0.02 0.22 0.82 -2.27 0.00 0.00 179.45 178.19 3fg0 h ILE 340 N -0.03 1.06 -0.87 2.00 2.04 -1.08 -2.41 117.51 118.23 3fg0 h ILE 340 Ca 0.01 -0.16 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3fg0 h ILE 340 Cb 0.04 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3fg0 h ILE 340 CO -0.02 0.08 0.58 -0.33 0.00 0.00 0.00 178.15 178.46 3fg0 h GLU 341 N 0.46 1.14 -0.60 2.37 5.08 -0.97 -2.13 114.58 119.93 3fg0 h GLU 341 Ca 0.14 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.45 3fg0 h GLU 341 Cb -0.02 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 28.94 3fg0 h GLU 341 CO -0.05 0.75 0.40 0.66 -1.00 0.00 0.00 179.01 179.77 3fg0 h SER 342 N 1.17 0.65 0.32 1.42 4.64 -0.68 -1.53 113.55 119.54 3fg0 h SER 342 Ca 0.32 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.61 3fg0 h SER 342 Cb -0.12 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 61.81 3fg0 h SER 342 CO -0.08 0.46 -0.09 1.88 -0.87 0.00 0.00 176.83 178.13 3fg0 h TYR 343 N 0.76 0.00 -0.40 4.77 0.05 -0.95 -2.56 116.97 118.64 3fg0 h TYR 343 Ca 0.23 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 58.93 3fg0 h TYR 343 Cb -0.01 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 3fg0 h TYR 343 CO -0.00 0.09 -0.05 0.52 -1.05 0.00 0.00 178.16 177.67 3fg0 h MET 344 N 0.00 0.73 -0.56 4.88 2.86 -1.24 0.27 114.93 121.87 3fg0 h MET 344 Ca -0.00 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3fg0 h MET 344 Cb 0.28 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3fg0 h MET 344 CO 0.01 0.85 0.32 -0.44 1.06 0.00 0.00 176.91 178.71 3fg0 h ASP 345 N 0.55 0.69 0.04 1.22 5.19 -1.54 -1.87 116.42 120.69 3fg0 h ASP 345 Ca 0.11 -0.08 0.02 0.00 -0.62 0.00 0.00 57.03 56.46 3fg0 h ASP 345 Cb 0.55 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 39.86 3fg0 h ASP 345 CO 0.03 0.56 -0.13 0.58 -3.12 0.00 0.00 179.24 177.16 3fg0 h VAL 346 N 0.76 0.68 -0.44 -1.35 2.07 -1.20 0.12 116.25 116.88 3fg0 h VAL 346 Ca 0.20 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.79 3fg0 h VAL 346 Cb 0.02 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.41 3fg0 h VAL 346 CO -0.03 0.00 0.11 0.00 0.02 0.00 0.00 177.57 177.67 3fg0 h ALA 347 N 0.67 0.50 -0.48 1.67 0.00 -0.80 -1.72 119.26 119.10 3fg0 h ALA 347 Ca 0.03 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 347 Cb 0.28 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3fg0 h ALA 347 CO -0.10 -0.29 -0.06 0.87 0.00 0.00 0.00 179.25 179.67 3fg0 h LYS 348 N 0.25 0.89 -0.68 0.00 1.57 -1.02 -0.77 116.57 116.82 3fg0 h LYS 348 Ca 0.22 -0.32 0.02 0.00 -1.87 0.00 0.00 60.65 58.70 3fg0 h LYS 348 Cb 0.25 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.46 3fg0 h LYS 348 CO -0.26 0.96 0.45 0.00 -0.57 0.00 0.00 179.45 180.03 3fg0 h ALA 349 N 0.91 1.56 -0.33 3.86 0.00 -0.18 -2.59 119.26 122.49 3fg0 h ALA 349 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3fg0 h ALA 349 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fg0 h ALA 349 CO 0.04 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 178.83 3fg0 n GLU 350 N -4.44 1.99 0.00 0.00 0.28 -0.70 -4.92 120.64 112.85 3fg0 n GLU 350 Ca 0.08 -1.52 0.00 0.00 -0.16 0.00 0.00 57.16 55.56 3fg0 n GLU 350 Cb 0.08 -1.39 0.00 0.00 1.43 0.00 0.00 31.44 31.56 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fg0 n GLY 351 N 1.23 0.64 3.90 -1.84 0.00 -0.97 -5.02 105.19 103.12 3fg0 n GLY 351 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 3.00 -0.09 4.61 0.00 -0.31 -4.89 121.76 122.08 3fg0 s ALA 352 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.47 3fg0 s ALA 352 Cb 0.00 -2.88 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 3fg0 s ALA 352 CO 0.00 -1.11 -0.12 0.99 0.00 0.00 0.00 175.76 175.53 3fg0 s THR 353 N -3.27 3.24 -0.60 0.00 2.01 -0.55 -4.25 115.64 112.22 3fg0 s THR 353 Ca 0.57 -0.63 -0.22 0.00 0.31 0.00 0.00 61.69 61.73 3fg0 s THR 353 Cb -0.11 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.14 3fg0 s THR 353 CO 0.49 0.56 0.87 -0.63 -0.69 0.00 0.00 174.62 175.22 3fg0 s ILE 354 N -0.25 4.50 0.19 1.82 -1.09 -1.26 -0.56 121.20 124.55 3fg0 s ILE 354 Ca 0.02 -0.36 0.04 0.00 -2.23 0.00 0.00 60.65 58.12 3fg0 s ILE 354 Cb -0.13 -4.57 -0.12 0.00 -1.58 0.00 0.00 42.46 36.06 3fg0 s ILE 354 CO 0.03 -1.24 1.43 0.00 -1.23 0.00 0.00 174.94 173.93 3fg0 h ALA 355 N 9.37 0.63 -2.31 9.38 0.00 -1.26 -3.46 119.26 131.60 3fg0 h ALA 355 Ca -0.28 -0.69 -0.04 0.00 0.00 0.00 0.00 54.91 53.90 3fg0 h ALA 355 Cb 1.08 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.61 3fg0 h ALA 355 CO 1.12 0.90 0.21 0.54 0.00 0.00 0.00 179.25 182.02 3fg0 s VAL 356 N -3.31 0.00 0.00 0.00 0.11 -1.21 -4.98 120.40 111.01 3fg0 s VAL 356 Ca -0.02 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.03 3fg0 s VAL 356 Cb 0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 3fg0 s VAL 356 CO 0.81 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.19 3fg0 n GLY 357 N 0.47 1.30 2.12 6.54 0.00 -1.25 -2.25 105.19 112.11 3fg0 n GLY 357 Ca -0.18 -0.66 -0.04 0.00 0.00 0.00 0.00 46.02 45.14 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 0.68 3.66 -0.02 0.00 -1.26 -4.99 105.19 103.26 3fg0 n GLY 358 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.30 1.66 0.36 1.61 -2.85 -1.26 -4.99 119.74 111.97 3fg0 s LYS 359 Ca 0.00 -1.23 -0.27 0.00 -1.00 0.00 0.00 55.97 53.47 3fg0 s LYS 359 Cb 0.00 0.51 -0.09 0.00 -2.06 0.00 0.00 37.83 36.19 3fg0 s LYS 359 CO 0.00 -0.72 1.14 1.03 0.10 0.00 0.00 175.35 176.91 3fg0 s ARG 360 N -3.84 4.28 0.55 1.78 0.52 -1.26 -0.89 118.95 120.09 3fg0 s ARG 360 Ca 0.20 1.81 -0.19 0.00 -0.52 0.00 0.00 55.73 57.03 3fg0 s ARG 360 Cb -0.02 -2.85 -0.05 0.00 0.52 0.00 0.00 34.95 32.55 3fg0 s ARG 360 CO 0.09 -0.11 1.11 -1.25 0.02 0.00 0.00 175.30 175.16 3fg0 s PRO 361 N -2.02 3.35 0.05 3.54 0.04 -1.26 -4.86 135.00 133.83 3fg0 s PRO 361 Ca 0.53 1.51 0.15 0.00 0.04 0.00 0.00 61.00 63.22 3fg0 s PRO 361 Cb -0.30 -2.01 -0.16 0.00 0.04 0.00 0.00 34.50 32.06 3fg0 s PRO 361 CO 0.39 -0.83 0.85 -0.44 0.04 0.00 0.00 177.00 177.00 3fg0 h ASP 362 N 1.04 0.00 -1.51 6.66 5.19 -1.96 -3.43 116.42 122.40 3fg0 h ASP 362 Ca -0.49 0.00 -0.66 0.00 -0.62 0.00 0.00 57.03 55.26 3fg0 h ASP 362 Cb 1.25 0.00 0.10 0.00 0.18 0.00 0.00 39.33 40.86 3fg0 h ASP 362 CO 0.57 0.74 -0.24 -1.14 -3.12 0.00 0.00 179.24 176.05 3fg0 n ARG 363 N -3.00 0.49 -0.22 3.56 0.63 -1.26 -4.67 116.66 112.19 3fg0 n ARG 363 Ca -0.11 0.17 0.01 0.00 -0.92 0.00 0.00 57.85 57.01 3fg0 n ARG 363 Cb 0.91 -1.35 0.12 0.00 0.45 0.00 0.00 32.46 32.60 3fg0 n ARG 363 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 3fg0 h ASP 364 N 1.57 0.27 0.18 6.15 3.32 -2.01 -1.29 116.42 124.61 3fg0 h ASP 364 Ca -0.34 0.08 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3fg0 h ASP 364 Cb 1.40 0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.00 3fg0 h ASP 364 CO 0.59 0.15 0.00 -0.90 -1.72 0.00 0.00 179.24 177.36 3fg0 n ASP 365 N -4.98 0.00 -0.00 6.45 5.75 -1.26 -3.05 116.55 119.46 3fg0 n ASP 365 Ca 0.10 -0.47 0.05 0.00 -0.01 0.00 0.00 54.79 54.46 3fg0 n ASP 365 Cb 0.29 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 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 -1.12 0.42 0.25 -2.12 4.77 -0.52 -4.68 117.00 114.00 3fg0 n LEU 366 Ca 0.15 -0.39 0.12 0.00 -0.03 0.00 0.00 56.01 55.86 3fg0 n LEU 366 Cb 0.13 0.00 0.63 0.00 -2.33 0.00 0.00 43.42 41.85 3fg0 n LEU 366 CO 0.16 0.10 0.91 0.07 -1.33 0.00 0.00 177.39 177.30 3fg0 h LYS 367 N 0.00 0.00 0.00 3.23 2.10 -1.40 -2.58 116.57 117.93 3fg0 h LYS 367 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fg0 h LYS 367 Cb 0.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.65 3fg0 h LYS 367 CO 0.00 0.16 -0.60 -0.25 -2.00 0.00 0.00 179.45 176.77 3fg0 n ASP 368 N -3.52 0.56 -4.98 7.07 8.00 -1.26 -4.94 116.55 117.48 3fg0 n ASP 368 Ca -0.01 -0.18 -0.19 0.00 0.71 0.00 0.00 54.79 55.12 3fg0 n ASP 368 Cb 0.31 0.31 0.03 0.00 -0.02 0.00 0.00 41.12 41.75 3fg0 n ASP 368 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3fg0 s GLY 369 N -3.21 1.87 -1.14 0.44 0.00 -0.97 -4.04 107.32 100.27 3fg0 s GLY 369 Ca 0.09 -1.67 -0.05 0.00 0.00 0.00 0.00 44.72 43.09 3fg0 s GLY 369 CO 0.72 -1.39 2.55 1.04 0.00 0.00 0.00 173.10 176.02 3fg0 n LEU 370 N -2.11 7.72 -4.86 0.66 4.77 -0.66 -4.97 117.00 117.56 3fg0 n LEU 370 Ca 0.10 -4.63 -0.33 0.00 -0.03 0.00 0.00 56.01 51.12 3fg0 n LEU 370 Cb 0.60 -1.35 -0.06 0.00 -2.33 0.00 0.00 43.42 40.28 3fg0 n LEU 370 CO 0.41 1.99 0.29 -0.36 -1.33 0.00 0.00 177.39 178.38 3fg0 s PHE 371 N -0.92 3.45 -0.03 -1.77 0.40 -1.26 -0.48 117.98 117.35 3fg0 s PHE 371 Ca 0.57 1.02 -0.01 0.00 -0.60 0.00 0.00 56.93 57.91 3fg0 s PHE 371 Cb 0.23 -2.37 0.02 0.00 0.51 0.00 0.00 43.02 41.41 3fg0 s PHE 371 CO -0.11 0.25 0.07 0.12 0.70 0.00 0.00 175.22 176.24 3fg0 s PHE 372 N -1.80 -0.06 0.35 0.36 5.36 -1.26 -4.43 117.98 116.50 3fg0 s PHE 372 Ca 0.48 0.24 -0.28 0.00 -0.96 0.00 0.00 56.93 56.40 3fg0 s PHE 372 Cb -0.12 -0.11 -0.10 0.00 -0.34 0.00 0.00 43.02 42.36 3fg0 s PHE 372 CO 0.20 -0.09 1.29 -1.21 -1.46 0.00 0.00 175.22 173.95 3fg0 s GLU 373 N 0.75 4.28 0.29 10.12 2.02 -0.06 -4.90 118.70 131.20 3fg0 s GLU 373 Ca -0.06 2.17 -0.30 0.00 0.02 0.00 0.00 54.97 56.80 3fg0 s GLU 373 Cb -0.08 -3.00 -0.12 0.00 0.10 0.00 0.00 34.13 31.03 3fg0 s GLU 373 CO -0.03 -0.23 1.50 -0.35 0.02 0.00 0.00 175.26 176.17 3fg0 n PRO 374 N 0.65 2.46 -4.58 0.39 -0.04 -1.26 -4.17 135.00 128.45 3fg0 n PRO 374 Ca 0.01 0.87 -0.21 0.00 -0.04 0.00 0.00 63.50 64.13 3fg0 n PRO 374 Cb 0.42 -2.60 -0.15 0.00 -0.04 0.00 0.00 33.50 31.14 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 -0.24 1.02 -0.15 0.52 2.01 0.24 -3.84 115.64 115.20 3fg0 s THR 375 Ca 0.63 -0.55 0.02 0.00 0.31 0.00 0.00 61.69 62.11 3fg0 s THR 375 Cb -0.54 -0.85 0.01 0.00 0.01 0.00 0.00 72.50 71.13 3fg0 s THR 375 CO 0.52 0.29 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.83 3fg0 s VAL 376 N -0.28 2.05 -0.20 3.82 1.01 -0.96 -1.78 120.40 124.06 3fg0 s VAL 376 Ca 0.05 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.01 3fg0 s VAL 376 Cb -0.05 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 3fg0 s VAL 376 CO -0.00 0.55 -0.01 -0.63 0.00 0.00 0.00 175.10 175.00 3fg0 s ILE 377 N 0.93 3.86 0.52 2.22 -1.09 0.02 -0.67 121.20 126.98 3fg0 s ILE 377 Ca -0.04 -0.34 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 3fg0 s ILE 377 Cb -0.15 -2.75 -0.00 0.00 -1.58 0.00 0.00 42.46 37.99 3fg0 s ILE 377 CO -0.04 0.42 0.11 0.42 -1.23 0.00 0.00 174.94 174.62 3fg0 s THR 378 N 1.09 1.31 -1.44 2.92 -4.23 0.28 -1.58 115.64 113.99 3fg0 s THR 378 Ca 0.02 -1.86 -0.10 0.00 -1.18 0.00 0.00 61.69 58.57 3fg0 s THR 378 Cb -0.14 -2.17 0.05 0.00 1.34 0.00 0.00 72.50 71.57 3fg0 s THR 378 CO 0.01 0.00 0.99 -3.20 -0.54 0.00 0.00 174.62 171.88 3fg0 n ASN 379 N -1.40 -4.48 -4.67 3.99 2.85 -1.26 -1.48 115.26 108.82 3fg0 n ASN 379 Ca -0.14 -0.72 -0.28 0.00 -0.11 0.00 0.00 54.58 53.33 3fg0 n ASN 379 Cb 0.66 -4.26 -0.10 0.00 1.24 0.00 0.00 39.78 37.33 3fg0 n ASN 379 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3fg0 s ASP 381 N -3.78 0.12 0.57 0.00 1.47 -1.26 -4.73 116.67 109.07 3fg0 s ASP 381 Ca 0.32 -1.26 0.38 0.00 1.18 0.00 0.00 52.55 53.17 3fg0 s ASP 381 Cb 0.07 0.45 1.97 0.00 -0.34 0.00 0.00 42.92 45.08 3fg0 s ASP 381 CO 0.17 -0.95 2.16 0.00 0.68 0.00 0.00 175.17 177.23 3fg0 h THR 382 N 2.49 0.00 0.00 2.11 1.03 -1.98 -2.00 112.91 114.56 3fg0 h THR 382 Ca -0.33 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3fg0 h THR 382 Cb 1.25 1.01 0.00 0.00 -1.07 0.00 0.00 68.15 69.34 3fg0 h THR 382 CO 0.47 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.44 3fg0 n SER 383 N -2.91 0.57 -4.81 0.00 3.41 -1.26 -4.67 113.62 103.96 3fg0 n SER 383 Ca -0.02 0.59 -0.35 0.00 -0.26 0.00 0.00 58.87 58.83 3fg0 n SER 383 Cb 0.12 -0.73 -0.06 0.00 -0.26 0.00 0.00 64.21 63.27 3fg0 n SER 383 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fg0 s MET 384 N -3.14 4.36 0.22 4.33 -1.94 -0.75 -4.97 119.30 117.40 3fg0 s MET 384 Ca 0.09 1.11 -0.08 0.00 -1.71 0.00 0.00 55.69 55.09 3fg0 s MET 384 Cb 0.12 -2.61 0.17 0.00 2.01 0.00 0.00 34.83 34.52 3fg0 s MET 384 CO 0.49 0.21 1.82 0.00 -0.01 0.00 0.00 175.02 177.53 3fg0 h ARG 385 N 2.78 1.15 0.00 2.03 3.08 -1.90 -1.51 114.38 120.01 3fg0 h ARG 385 Ca -0.48 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.42 3fg0 h ARG 385 Cb 1.19 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 31.02 3fg0 h ARG 385 CO 0.64 0.87 -0.01 0.97 -1.07 0.00 0.00 179.97 181.37 3fg0 h ILE 386 N 1.14 0.93 0.20 2.04 6.09 -1.92 -0.72 117.51 125.27 3fg0 h ILE 386 Ca 0.28 -0.04 -0.32 0.00 -1.37 0.00 0.00 64.86 63.40 3fg0 h ILE 386 Cb 0.08 1.02 0.02 0.00 0.47 0.00 0.00 36.82 38.41 3fg0 h ILE 386 CO -0.04 0.01 -1.54 0.58 -3.07 0.00 0.00 178.15 174.09 3fg0 h VAL 387 N 0.00 1.11 0.08 2.19 2.07 -1.73 -3.40 116.25 116.56 3fg0 h VAL 387 Ca -0.00 -2.56 -0.25 0.00 0.82 0.00 0.00 66.70 64.71 3fg0 h VAL 387 Cb 0.02 2.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3fg0 h VAL 387 CO 0.00 0.81 -1.11 1.56 0.02 0.00 0.00 177.57 178.85 3fg0 h GLN 388 N 0.03 0.30 -6.18 1.57 1.08 -0.84 -3.47 115.11 107.60 3fg0 h GLN 388 Ca -0.29 -0.43 -0.58 0.00 -1.45 0.00 0.00 58.65 55.90 3fg0 h GLN 388 Cb 2.05 0.15 -0.04 0.00 -0.05 0.00 0.00 27.48 29.59 3fg0 h GLN 388 CO 0.20 1.16 -0.30 -1.21 -0.95 0.00 0.00 178.83 177.73 3fg0 s GLU 389 N -2.89 3.63 -0.55 1.46 2.02 -0.32 -4.80 118.70 117.25 3fg0 s GLU 389 Ca -0.04 -0.06 -0.28 0.00 0.02 0.00 0.00 54.97 54.61 3fg0 s GLU 389 Cb 0.08 -2.84 0.01 0.00 0.10 0.00 0.00 34.13 31.48 3fg0 s GLU 389 CO 0.87 0.46 1.43 -2.00 0.02 0.00 0.00 175.26 176.04 3fg0 s GLU 390 N -2.64 3.30 0.08 1.61 2.12 -1.26 -4.86 118.70 117.05 3fg0 s GLU 390 Ca 0.41 0.49 -0.10 0.00 0.36 0.00 0.00 54.97 56.13 3fg0 s GLU 390 Cb -0.12 -4.13 -0.23 0.00 0.26 0.00 0.00 34.13 29.91 3fg0 s GLU 390 CO 0.24 -1.94 1.17 0.28 -0.54 0.00 0.00 175.26 174.48 3fg0 h VAL 391 N 6.40 1.35 -4.72 3.70 2.07 -1.91 -3.48 116.25 119.66 3fg0 h VAL 391 Ca -0.27 -2.53 -0.36 0.00 0.82 0.00 0.00 66.70 64.36 3fg0 h VAL 391 Cb 1.09 2.63 0.09 0.00 -1.52 0.00 0.00 31.29 33.59 3fg0 h VAL 391 CO 1.17 0.76 -0.58 0.33 0.02 0.00 0.00 177.57 179.28 3fg0 n PHE 392 N -3.74 -2.20 -4.16 1.57 7.35 -1.26 -4.74 117.46 110.28 3fg0 n PHE 392 Ca -0.11 0.70 -0.09 0.00 -0.76 0.00 0.00 57.45 57.19 3fg0 n PHE 392 Cb 0.94 -4.39 -0.03 0.00 0.35 0.00 0.00 39.48 36.35 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 -1.66 3.62 2.65 7.13 0.00 -1.24 -4.12 105.19 111.57 3fg0 n GLY 393 Ca -0.04 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 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 3.18 -3.77 1.61 -0.04 0.07 -4.06 135.00 131.68 3fg0 n PRO 394 Ca 0.01 -2.67 -0.13 0.00 -0.04 0.00 0.00 63.50 60.67 3fg0 n PRO 394 Cb 0.26 -3.12 -0.14 0.00 -0.04 0.00 0.00 33.50 30.46 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 2.48 -0.04 0.07 0.52 1.01 -1.26 -0.59 120.40 122.59 3fg0 s VAL 395 Ca 0.51 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.69 3fg0 s VAL 395 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 3fg0 s VAL 395 CO -0.07 0.06 -0.15 0.68 0.00 0.00 0.00 175.10 175.61 3fg0 s VAL 396 N 0.92 1.23 0.12 2.92 -7.23 -0.73 -4.71 120.40 112.92 3fg0 s VAL 396 Ca -0.07 -1.29 0.06 0.00 -1.81 0.00 0.00 61.98 58.86 3fg0 s VAL 396 Cb -0.09 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 3fg0 s VAL 396 CO -0.04 -0.15 0.01 0.42 -0.31 0.00 0.00 175.10 175.03 3fg0 s THR 397 N -1.17 3.97 -0.15 5.32 -4.23 -0.05 -0.80 115.64 118.54 3fg0 s THR 397 Ca 0.00 -1.12 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 3fg0 s THR 397 Cb -0.10 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.83 3fg0 s THR 397 CO 0.02 0.03 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.32 3fg0 s VAL 398 N -1.47 1.50 0.11 2.29 1.01 -0.62 -1.05 120.40 122.18 3fg0 s VAL 398 Ca 0.27 -0.60 0.10 0.00 0.00 0.00 0.00 61.98 61.75 3fg0 s VAL 398 Cb -0.11 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 3fg0 s VAL 398 CO 0.19 0.43 -0.24 -1.61 0.00 0.00 0.00 175.10 173.87 3fg0 s GLU 399 N 1.52 1.56 0.22 2.72 2.02 -0.08 -4.15 118.70 122.50 3fg0 s GLU 399 Ca 0.05 -1.27 0.02 0.00 0.02 0.00 0.00 54.97 53.79 3fg0 s GLU 399 Cb -0.13 -1.97 -0.04 0.00 0.10 0.00 0.00 34.13 32.10 3fg0 s GLU 399 CO -0.10 0.47 0.37 0.20 0.02 0.00 0.00 175.26 176.22 3fg0 s GLY 400 N -1.97 1.53 0.04 -1.39 0.00 -1.26 -0.87 107.32 103.40 3fg0 s GLY 400 Ca 0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.82 3fg0 s GLY 400 CO 0.07 -1.00 0.03 -0.11 0.00 0.00 0.00 173.10 172.08 3fg0 s PHE 401 N -1.93 0.29 -0.23 1.90 -0.12 -0.82 -4.83 117.98 112.25 3fg0 s PHE 401 Ca 0.36 -0.64 -0.10 0.00 -0.05 0.00 0.00 56.93 56.50 3fg0 s PHE 401 Cb -0.10 -0.21 -0.17 0.00 -0.63 0.00 0.00 43.02 41.90 3fg0 s PHE 401 CO 0.30 -0.32 -0.07 -1.91 -0.05 0.00 0.00 175.22 173.17 3fg0 n GLU 402 N 0.85 0.63 -4.49 1.99 4.07 -1.26 -0.11 120.64 122.33 3fg0 n GLU 402 Ca -0.19 0.30 -0.23 0.00 -0.06 0.00 0.00 57.16 56.98 3fg0 n GLU 402 Cb 0.58 -1.59 -0.10 0.00 -0.06 0.00 0.00 31.44 30.26 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 -2.49 1.87 0.24 6.31 -4.23 -1.26 -4.78 115.64 111.31 3fg0 s THR 403 Ca -0.33 -2.14 -0.06 0.00 -1.18 0.00 0.00 61.69 57.98 3fg0 s THR 403 Cb 0.10 -2.58 0.23 0.00 1.34 0.00 0.00 72.50 71.59 3fg0 s THR 403 CO 0.59 -0.23 1.88 -0.08 -0.54 0.00 0.00 174.62 176.25 3fg0 h GLU 404 N 2.14 1.09 -0.60 3.99 4.81 -1.99 -1.02 114.58 122.99 3fg0 h GLU 404 Ca -0.41 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 3fg0 h GLU 404 Cb 1.24 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.35 3fg0 h GLU 404 CO 0.69 0.72 0.17 1.96 -0.73 0.00 0.00 179.01 181.83 3fg0 h GLN 405 N 1.13 0.92 -0.46 1.92 7.50 -2.00 -2.08 115.11 122.04 3fg0 h GLN 405 Ca 0.37 -0.19 -0.14 0.00 0.50 0.00 0.00 58.65 59.20 3fg0 h GLN 405 Cb 0.04 -0.14 -0.01 0.00 0.05 0.00 0.00 27.48 27.42 3fg0 h GLN 405 CO -0.13 0.81 -0.26 1.49 -1.50 0.00 0.00 178.83 179.24 3fg0 h GLU 406 N 0.89 0.99 -0.47 1.46 4.81 -1.74 -1.70 114.58 118.83 3fg0 h GLU 406 Ca 0.20 -0.45 0.01 0.00 -0.13 0.00 0.00 59.36 58.99 3fg0 h GLU 406 Cb 0.28 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 3fg0 h GLU 406 CO -0.01 1.12 0.30 0.00 -0.73 0.00 0.00 179.01 179.69 3fg0 h ALA 407 N 0.84 0.59 -0.40 2.92 0.00 -0.92 -1.46 119.26 120.84 3fg0 h ALA 407 Ca 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fg0 h ALA 407 Cb 0.85 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3fg0 h ALA 407 CO 0.07 0.01 0.17 0.82 0.00 0.00 0.00 179.25 180.32 3fg0 h ILE 408 N 0.60 1.19 -0.15 0.00 2.04 -1.26 0.20 117.51 120.13 3fg0 h ILE 408 Ca 0.18 -0.59 0.02 0.00 1.00 0.00 0.00 64.86 65.47 3fg0 h ILE 408 Cb -0.04 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 3fg0 h ILE 408 CO -0.06 0.21 0.03 -0.61 0.00 0.00 0.00 178.15 177.73 3fg0 h GLN 409 N 0.51 0.09 -0.13 2.37 4.15 -1.09 -1.42 115.11 119.59 3fg0 h GLN 409 Ca 0.13 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 3fg0 h GLN 409 Cb 0.18 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.84 3fg0 h GLN 409 CO -0.01 0.06 -0.00 -0.07 -1.93 0.00 0.00 178.83 176.87 3fg0 h LEU 410 N 0.09 0.22 -0.81 -2.39 3.38 -1.17 -2.06 115.31 112.57 3fg0 h LEU 410 Ca 0.07 -0.32 0.10 0.00 0.09 0.00 0.00 57.88 57.82 3fg0 h LEU 410 Cb 0.06 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 40.68 3fg0 h LEU 410 CO -0.09 0.48 0.45 0.00 0.09 0.00 0.00 178.44 179.38 3fg0 h ALA 411 N 0.74 1.16 0.00 1.53 0.00 -0.88 -0.62 119.26 121.20 3fg0 h ALA 411 Ca 0.04 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fg0 h ALA 411 Cb 0.37 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3fg0 h ALA 411 CO 0.01 0.06 0.00 0.09 0.00 0.00 0.00 179.25 179.40 3fg0 n ASN 412 N -4.77 0.00 -4.05 0.00 5.03 -0.54 -4.50 115.26 106.43 3fg0 n ASN 412 Ca 0.14 0.09 -0.43 0.00 0.87 0.00 0.00 54.58 55.25 3fg0 n ASN 412 Cb 0.29 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.69 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 -1.36 4.89 -3.79 6.41 2.03 -0.24 -4.83 116.55 119.65 3fg0 n ASP 413 Ca 0.11 -3.01 -0.08 0.00 0.52 0.00 0.00 54.79 52.34 3fg0 n ASP 413 Cb 0.27 -1.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.10 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 2.06 -0.30 0.00 1.67 1.04 -1.26 -4.98 113.70 111.94 3fg0 s SER 414 Ca 0.43 -0.51 0.28 0.00 0.48 0.00 0.00 55.95 56.63 3fg0 s SER 414 Cb 0.07 0.70 1.13 0.00 0.10 0.00 0.00 66.02 68.01 3fg0 s SER 414 CO -0.01 -1.27 1.83 2.30 0.98 0.00 0.00 173.24 177.07 3fg0 n ILE 415 N -0.45 0.00 -2.96 -1.02 -5.35 -1.26 -4.91 119.36 103.41 3fg0 n ILE 415 Ca -0.06 -0.01 -0.20 0.00 -0.27 0.00 0.00 62.75 62.20 3fg0 n ILE 415 Cb 0.60 -0.26 0.07 0.00 -1.74 0.00 0.00 39.64 38.31 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 -2.83 1.35 -0.23 4.28 2.02 -1.26 -0.92 117.35 119.76 3fg0 s TYR 416 Ca 0.19 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 3fg0 s TYR 416 Cb 0.19 -2.34 0.06 0.00 -0.40 0.00 0.00 41.96 39.47 3fg0 s TYR 416 CO 0.54 -1.30 0.93 0.41 -1.57 0.00 0.00 175.55 174.56 3fg0 n GLY 417 N -2.37 -0.65 0.07 0.71 0.00 -1.18 -4.72 105.19 97.05 3fg0 n GLY 417 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 46.02 46.11 3fg0 n GLY 417 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fg0 h LEU 418 N 0.84 0.00 -7.83 0.99 5.85 -1.82 0.19 115.31 113.53 3fg0 h LEU 418 Ca -0.42 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3fg0 h LEU 418 Cb 1.18 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.12 3fg0 h LEU 418 CO -0.15 0.77 0.06 0.00 -0.34 0.00 0.00 178.44 178.78 3fg0 s ALA 419 N -2.69 -0.90 -0.06 1.25 0.00 -1.26 -2.18 121.76 115.92 3fg0 s ALA 419 Ca -0.14 -0.34 -0.31 0.00 0.00 0.00 0.00 51.96 51.17 3fg0 s ALA 419 Cb 0.02 0.89 0.13 0.00 0.00 0.00 0.00 23.12 24.16 3fg0 s ALA 419 CO 0.22 -0.87 1.37 0.20 0.00 0.00 0.00 175.76 176.68 3fg0 s GLY 420 N -2.91 -0.41 0.07 0.00 0.00 -0.78 -3.87 107.32 99.43 3fg0 s GLY 420 Ca 0.12 0.71 0.02 0.00 0.00 0.00 0.00 44.72 45.56 3fg0 s GLY 420 CO 0.01 1.27 -0.07 0.00 0.00 0.00 0.00 173.10 174.31 3fg0 s ALA 421 N -2.16 0.72 -0.09 3.20 0.00 -0.46 -0.79 121.76 122.19 3fg0 s ALA 421 Ca 0.18 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.08 3fg0 s ALA 421 Cb 0.05 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.32 3fg0 s ALA 421 CO -0.05 -0.15 -0.06 0.08 0.00 0.00 0.00 175.76 175.58 3fg0 s VAL 422 N -2.58 0.83 -0.23 0.00 1.01 -0.32 -0.97 120.40 118.13 3fg0 s VAL 422 Ca 0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 3fg0 s VAL 422 Cb -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 3fg0 s VAL 422 CO -0.03 0.32 0.01 -0.36 0.00 0.00 0.00 175.10 175.04 3fg0 s PHE 423 N 1.53 3.02 -0.28 5.22 0.08 0.37 -0.98 117.98 126.93 3fg0 s PHE 423 Ca 0.00 -0.70 -0.23 0.00 0.12 0.00 0.00 56.93 56.12 3fg0 s PHE 423 Cb -0.13 -2.16 0.13 0.00 -0.57 0.00 0.00 43.02 40.29 3fg0 s PHE 423 CO -0.05 -0.46 1.06 0.45 -0.10 0.00 0.00 175.22 176.13 3fg0 s SER 424 N 1.53 -0.42 0.38 1.36 0.15 -1.26 -1.70 113.70 113.73 3fg0 s SER 424 Ca 0.06 0.79 0.28 0.00 0.70 0.00 0.00 55.95 57.77 3fg0 s SER 424 Cb -0.15 0.86 1.03 0.00 -1.71 0.00 0.00 66.02 66.06 3fg0 s SER 424 CO -0.00 -0.13 1.81 0.11 1.20 0.00 0.00 173.24 176.22 3fg0 h LYS 425 N 4.42 0.00 -5.67 5.44 1.57 -1.56 -3.39 116.57 117.38 3fg0 h LYS 425 Ca -0.28 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 57.87 3fg0 h LYS 425 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.36 3fg0 h LYS 425 CO 0.13 0.00 1.10 0.34 -0.57 0.00 0.00 179.45 180.45 3fg0 s ASP 426 N -5.03 6.47 0.34 0.86 -1.08 -1.26 -4.86 116.67 112.10 3fg0 s ASP 426 Ca 0.04 -1.51 0.04 0.00 -0.52 0.00 0.00 52.55 50.60 3fg0 s ASP 426 Cb 0.09 -2.49 0.60 0.00 -1.46 0.00 0.00 42.92 39.66 3fg0 s ASP 426 CO 0.51 -1.37 1.89 0.40 0.52 0.00 0.00 175.17 177.11 3fg0 h ILE 427 N 6.28 1.19 -0.30 4.11 1.08 -1.99 -0.83 117.51 127.04 3fg0 h ILE 427 Ca 0.08 -0.71 0.02 0.00 -0.39 0.00 0.00 64.86 63.86 3fg0 h ILE 427 Cb 1.03 0.83 -0.03 0.00 -3.07 0.00 0.00 36.82 35.58 3fg0 h ILE 427 CO 1.27 0.25 0.13 1.23 -0.69 0.00 0.00 178.15 180.35 3fg0 h GLY 428 N 0.83 0.39 0.95 5.37 0.00 -1.96 -0.08 103.07 108.57 3fg0 h GLY 428 Ca 0.13 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3fg0 h GLY 428 CO 0.00 0.07 0.08 1.70 0.00 0.00 0.00 176.54 178.39 3fg0 h LYS 429 N 0.29 0.70 -0.89 4.80 3.64 -1.78 -2.17 116.57 121.15 3fg0 h LYS 429 Ca 0.13 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3fg0 h LYS 429 Cb 0.06 -0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3fg0 h LYS 429 CO -0.10 0.72 0.58 0.00 -2.27 0.00 0.00 179.45 178.38 3fg0 h ALA 430 N 0.95 1.46 -0.51 5.00 0.00 -0.78 -1.75 119.26 123.62 3fg0 h ALA 430 Ca 0.13 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3fg0 h ALA 430 Cb 0.35 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 430 CO 0.01 0.45 -0.12 1.96 0.00 0.00 0.00 179.25 181.54 3fg0 h GLN 431 N 1.09 0.99 -0.26 0.00 4.20 -0.82 -0.14 115.11 120.17 3fg0 h GLN 431 Ca 0.36 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.71 3fg0 h GLN 431 Cb 0.05 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 3fg0 h GLN 431 CO -0.11 1.05 0.11 0.00 -0.67 0.00 0.00 178.83 179.21 3fg0 h ARG 432 N 0.85 0.23 -0.06 1.46 3.08 -0.73 -1.38 114.38 117.83 3fg0 h ARG 432 Ca 0.13 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.16 3fg0 h ARG 432 Cb 0.68 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 3fg0 h ARG 432 CO 0.05 0.15 0.03 0.28 -1.07 0.00 0.00 179.97 179.41 3fg0 h VAL 433 N 0.24 1.12 -1.00 2.04 2.07 -1.24 -2.98 116.25 116.50 3fg0 h VAL 433 Ca 0.11 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.42 3fg0 h VAL 433 Cb 0.06 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 3fg0 h VAL 433 CO -0.10 0.10 0.63 0.00 0.02 0.00 0.00 177.57 178.22 3fg0 h ALA 434 N 0.89 1.57 0.00 1.67 0.00 -0.82 0.15 119.26 122.73 3fg0 h ALA 434 Ca 0.02 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 434 Cb 0.14 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3fg0 h ALA 434 CO -0.00 0.16 -0.13 -0.91 0.00 0.00 0.00 179.25 178.36 3fg0 h ASN 435 N 0.94 0.00 0.23 0.00 4.21 -1.10 -3.03 115.58 116.82 3fg0 h ASN 435 Ca 0.51 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.02 3fg0 h ASN 435 Cb 0.58 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.78 3fg0 h ASN 435 CO -0.28 0.13 -1.01 0.29 -1.29 0.00 0.00 177.43 175.28 3fg0 n LYS 436 N -3.51 0.15 -2.53 0.81 4.76 -0.01 -4.91 118.16 112.92 3fg0 n LYS 436 Ca -0.01 -0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 54.99 3fg0 n LYS 436 Cb 0.28 -1.53 -0.03 0.00 -1.84 0.00 0.00 35.03 31.91 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 -3.43 4.32 -1.32 -0.35 1.43 -0.88 -4.95 118.68 113.50 3fg0 s LEU 437 Ca 0.06 1.81 -0.13 0.00 -1.03 0.00 0.00 54.13 54.83 3fg0 s LEU 437 Cb 0.16 -3.57 0.11 0.00 0.03 0.00 0.00 46.19 42.92 3fg0 s LEU 437 CO 0.82 -0.47 1.86 0.29 0.23 0.00 0.00 176.35 179.09 3fg0 n LYS 438 N 4.53 3.26 -3.89 1.70 5.02 -1.26 -4.90 118.16 122.63 3fg0 n LYS 438 Ca 0.09 -3.27 -0.12 0.00 -2.02 0.00 0.00 58.31 52.99 3fg0 n LYS 438 Cb 0.48 -3.17 -0.14 0.00 -0.02 0.00 0.00 35.03 32.18 3fg0 n LYS 438 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg0 s LEU 439 N 1.78 2.02 0.45 -0.35 1.43 -1.26 -4.43 118.68 118.32 3fg0 s LEU 439 Ca 0.45 -0.05 0.16 0.00 -1.03 0.00 0.00 54.13 53.66 3fg0 s LEU 439 Cb 0.07 0.01 1.03 0.00 0.03 0.00 0.00 46.19 47.33 3fg0 s LEU 439 CO -0.01 -0.03 1.99 1.23 0.23 0.00 0.00 176.35 179.76 3fg0 h GLY 440 N 5.99 0.00 -6.30 -3.19 0.00 -0.91 -3.42 103.07 95.24 3fg0 h GLY 440 Ca -0.25 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.75 3fg0 h GLY 440 CO 0.50 0.00 -0.74 -1.59 0.00 0.00 0.00 176.54 174.70 3fg0 s THR 441 N -4.56 0.16 -0.12 4.70 2.01 -0.94 -4.77 115.64 112.13 3fg0 s THR 441 Ca -0.04 0.07 0.02 0.00 0.31 0.00 0.00 61.69 62.05 3fg0 s THR 441 Cb 0.15 -0.25 0.01 0.00 0.01 0.00 0.00 72.50 72.43 3fg0 s THR 441 CO 0.69 0.13 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.89 3fg0 s VAL 442 N 0.89 1.63 -0.15 3.82 1.01 -1.26 -1.86 120.40 124.49 3fg0 s VAL 442 Ca -0.09 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.06 3fg0 s VAL 442 Cb -0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.73 3fg0 s VAL 442 CO -0.02 0.47 0.20 0.26 0.00 0.00 0.00 175.10 176.01 3fg0 s TRP 443 N 0.94 3.50 -0.29 5.22 0.51 0.03 -4.99 118.94 123.86 3fg0 s TRP 443 Ca -0.07 0.51 -0.08 0.00 -2.12 0.00 0.00 56.10 54.34 3fg0 s TRP 443 Cb -0.15 -2.16 -0.01 0.00 -0.81 0.00 0.00 33.47 30.34 3fg0 s TRP 443 CO -0.02 0.43 0.12 0.42 -0.51 0.00 0.00 176.95 177.39 3fg0 s ILE 444 N -0.12 4.37 -1.40 2.03 1.01 -1.26 -1.17 121.20 124.66 3fg0 s ILE 444 Ca 0.14 -0.45 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 3fg0 s ILE 444 Cb -0.12 -3.20 0.03 0.00 0.01 0.00 0.00 42.46 39.18 3fg0 s ILE 444 CO 0.03 0.12 1.10 0.59 0.00 0.00 0.00 174.94 176.78 3fg0 n ASN 445 N 4.94 -5.41 -3.77 3.58 3.02 -0.15 -4.98 115.26 112.49 3fg0 n ASN 445 Ca -0.14 -0.63 -0.07 0.00 -0.03 0.00 0.00 54.58 53.71 3fg0 n ASN 445 Cb 0.49 -4.66 -0.02 0.00 -0.61 0.00 0.00 39.78 34.98 3fg0 n ASN 445 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fg0 s ASP 446 N -3.43 -0.23 -0.19 6.41 -1.08 -1.26 -5.08 116.67 111.80 3fg0 s ASP 446 Ca 0.55 -0.67 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 3fg0 s ASP 446 Cb -0.25 0.74 0.06 0.00 -1.46 0.00 0.00 42.92 42.01 3fg0 s ASP 446 CO 0.76 -1.38 0.47 0.12 0.52 0.00 0.00 175.17 175.66 3fg0 s PHE 447 N -3.76 -0.69 0.00 -5.34 5.36 -1.26 -4.72 117.98 107.57 3fg0 s PHE 447 Ca 0.11 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 3fg0 s PHE 447 Cb -0.06 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.95 3fg0 s PHE 447 CO 0.07 -0.37 0.00 0.72 -1.46 0.00 0.00 175.22 174.18 3fg0 n HIS 448 N 4.20 0.00 -1.75 10.12 8.25 -1.26 -4.93 115.22 129.85 3fg0 n HIS 448 Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.82 3fg0 n HIS 448 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 3fg0 n HIS 448 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3fg0 s PRO 449 N -0.81 4.14 0.04 -0.41 0.02 -1.26 -5.00 135.00 131.72 3fg0 s PRO 449 Ca 0.00 2.58 0.01 0.00 0.02 0.00 0.00 61.00 63.61 3fg0 s PRO 449 Cb 0.00 -3.12 -0.03 0.00 0.02 0.00 0.00 34.50 31.37 3fg0 s PRO 449 CO 0.00 -0.74 -0.06 1.52 -0.33 0.00 0.00 177.00 177.39 3fg0 s TYR 450 N 1.30 0.57 0.06 6.54 -0.85 -1.26 -5.06 117.35 118.66 3fg0 s TYR 450 Ca 0.75 -0.57 -0.26 0.00 -0.52 0.00 0.00 57.07 56.46 3fg0 s TYR 450 Cb -0.49 -0.35 0.08 0.00 0.38 0.00 0.00 41.96 41.57 3fg0 s TYR 450 CO 0.32 -0.13 0.68 -0.59 -1.52 0.00 0.00 175.55 174.31 3fg0 s PHE 451 N -1.71 -0.54 0.53 -3.49 -0.12 -1.26 -5.05 117.98 106.33 3fg0 s PHE 451 Ca -0.09 0.56 0.22 0.00 -0.05 0.00 0.00 56.93 57.57 3fg0 s PHE 451 Cb -0.08 0.51 1.36 0.00 -0.63 0.00 0.00 43.02 44.18 3fg0 s PHE 451 CO -0.01 -0.72 2.05 0.00 -0.05 0.00 0.00 175.22 176.50 3fg0 h ALA 452 N 2.31 2.30 0.00 1.99 0.00 -1.92 -1.98 119.26 121.96 3fg0 h ALA 452 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3fg0 h ALA 452 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fg0 h ALA 452 CO 0.37 -0.41 0.00 1.96 0.00 0.00 0.00 179.25 181.17 3fg0 h GLN 453 N 0.00 0.00 -5.58 0.00 7.50 -1.95 0.31 115.11 115.39 3fg0 h GLN 453 Ca 0.16 0.00 -0.55 0.00 0.50 0.00 0.00 58.65 58.76 3fg0 h GLN 453 Cb 0.64 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 27.87 3fg0 h GLN 453 CO -0.00 0.00 -0.83 0.00 -1.50 0.00 0.00 178.83 176.49 3fg0 s ALA 454 N -3.65 1.47 0.48 3.87 0.00 -0.74 -4.48 121.76 118.70 3fg0 s ALA 454 Ca 0.01 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.01 3fg0 s ALA 454 Cb 0.09 -0.40 -0.07 0.00 0.00 0.00 0.00 23.12 22.74 3fg0 s ALA 454 CO 0.48 0.34 1.15 -1.25 0.00 0.00 0.00 175.76 176.48 3fg0 s PRO 455 N -0.31 3.67 -0.06 0.00 0.04 -1.26 -4.05 135.00 133.04 3fg0 s PRO 455 Ca 0.04 1.72 0.02 0.00 0.04 0.00 0.00 61.00 62.82 3fg0 s PRO 455 Cb -0.08 -2.31 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3fg0 s PRO 455 CO -0.00 -0.61 -0.10 -0.46 0.04 0.00 0.00 177.00 175.87 3fg0 s TRP 456 N -1.61 1.25 0.00 0.56 -0.11 0.95 -4.91 118.94 115.07 3fg0 s TRP 456 Ca 0.66 -0.46 0.00 0.00 1.22 0.00 0.00 56.10 57.52 3fg0 s TRP 456 Cb -0.27 -0.97 0.00 0.00 -1.50 0.00 0.00 33.47 30.73 3fg0 s TRP 456 CO 0.32 -0.27 0.00 0.41 -4.62 0.00 0.00 176.95 172.79 3fg0 n GLY 457 N 3.99 -1.02 3.50 5.86 0.00 -1.26 -0.82 105.19 115.43 3fg0 n GLY 457 Ca -0.22 -1.13 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 3fg0 n GLY 457 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 458 N 0.00 1.64 0.78 -0.02 0.00 -1.26 -3.65 107.32 104.81 3fg0 s GLY 458 Ca 0.00 -1.19 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 3fg0 s GLY 458 CO 0.00 -1.09 1.10 -0.19 0.00 0.00 0.00 173.10 172.92 3fg0 s TYR 459 N -1.00 2.97 0.00 1.90 4.12 0.62 -3.96 117.35 122.01 3fg0 s TYR 459 Ca 0.16 1.08 0.00 0.00 0.02 0.00 0.00 57.07 58.33 3fg0 s TYR 459 Cb -0.11 -3.14 0.00 0.00 -1.52 0.00 0.00 41.96 37.19 3fg0 s TYR 459 CO 0.07 -1.62 0.00 1.63 0.02 0.00 0.00 175.55 175.65 3fg0 n LYS 460 N -3.31 0.00 -0.02 -0.62 5.02 -1.26 -1.88 118.16 116.08 3fg0 n LYS 460 Ca 0.07 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.47 3fg0 n LYS 460 Cb 0.57 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 36.13 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 1.30 0.01 1.97 6.02 -0.09 -3.28 117.38 137.31 3fg0 n GLN 461 Ca 0.00 -0.44 0.14 0.00 -0.01 0.00 0.00 57.00 56.68 3fg0 n GLN 461 Cb 0.00 -1.37 0.57 0.00 1.02 0.00 0.00 30.24 30.46 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 -0.37 0.14 0.00 1.08 7.64 -0.79 -4.65 113.62 116.67 3fg0 n SER 462 Ca 0.17 0.46 0.00 0.00 1.01 0.00 0.00 58.87 60.51 3fg0 n SER 462 Cb 0.18 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 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 1.47 -1.92 2.78 0.23 0.00 -1.21 -0.58 105.19 105.96 3fg0 n GLY 463 Ca 0.07 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.64 0.09 0.00 -0.61 1.01 -0.23 -4.64 121.20 114.18 3fg0 s ILE 464 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.83 3fg0 s ILE 464 Cb 0.00 -0.23 0.00 0.00 0.01 0.00 0.00 42.46 42.24 3fg0 s ILE 464 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.70 3fg0 n GLY 465 N 4.44 -2.38 3.13 6.18 0.00 -1.26 -0.45 105.19 114.84 3fg0 n GLY 465 Ca -0.21 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.36 0.71 0.21 1.61 1.81 -1.26 -4.37 118.95 117.31 3fg0 s ARG 466 Ca 0.00 -1.02 0.11 0.00 -1.72 0.00 0.00 55.73 53.10 3fg0 s ARG 466 Cb 0.00 -0.39 -0.04 0.00 -0.45 0.00 0.00 34.95 34.07 3fg0 s ARG 466 CO 0.00 0.06 -0.16 -1.21 -0.68 0.00 0.00 175.30 173.30 3fg0 s GLU 467 N -2.45 1.80 0.32 3.54 2.02 0.00 -4.21 118.70 119.73 3fg0 s GLU 467 Ca 0.00 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.51 3fg0 s GLU 467 Cb -0.05 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.22 3fg0 s GLU 467 CO -0.01 0.39 0.00 1.28 0.02 0.00 0.00 175.26 176.95 3fg0 n LEU 468 N -0.11 -0.54 0.00 1.80 4.77 -1.26 -0.04 117.00 121.63 3fg0 n LEU 468 Ca -0.10 1.25 0.06 0.00 -0.03 0.00 0.00 56.01 57.20 3fg0 n LEU 468 Cb 0.57 -1.75 -0.02 0.00 -2.33 0.00 0.00 43.42 39.89 3fg0 n LEU 468 CO 0.34 -1.20 -0.08 0.61 -1.33 0.00 0.00 177.39 175.72 3fg0 n GLY 469 N -3.28 -1.77 0.30 -0.72 0.00 0.11 -0.83 105.19 98.99 3fg0 n GLY 469 Ca -0.05 -1.25 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 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 0.79 0.00 1.61 1.57 -1.86 -2.12 116.57 116.57 3fg0 h LYS 470 Ca 0.01 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 3fg0 h LYS 470 Cb 0.41 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3fg0 h LYS 470 CO 0.00 0.73 -0.16 0.93 -0.57 0.00 0.00 179.45 180.38 3fg0 h GLU 471 N 0.76 0.00 -0.18 3.15 3.07 -1.95 -1.88 114.58 117.54 3fg0 h GLU 471 Ca 0.17 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.88 3fg0 h GLU 471 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3fg0 h GLU 471 CO 0.00 0.16 -0.45 0.78 -1.40 0.00 0.00 179.01 178.10 3fg0 h GLY 472 N 1.61 0.67 0.98 -3.84 0.00 -0.32 -3.18 103.07 98.99 3fg0 h GLY 472 Ca -0.00 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.50 3fg0 h GLY 472 CO 0.02 0.75 0.63 -2.00 0.00 0.00 0.00 176.54 175.94 3fg0 h LEU 473 N 0.28 1.08 -2.40 3.11 5.85 -1.06 -2.79 115.31 119.38 3fg0 h LEU 473 Ca -0.01 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3fg0 h LEU 473 Cb 1.06 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.83 3fg0 h LEU 473 CO 0.10 0.77 0.00 -0.33 -0.34 0.00 0.00 178.44 178.64 3fg0 h GLU 474 N 1.27 0.00 0.00 1.25 5.08 -1.34 -0.14 114.58 120.70 3fg0 h GLU 474 Ca 0.35 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.69 3fg0 h GLU 474 Cb -0.12 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.13 3fg0 h GLU 474 CO -0.09 0.00 -0.14 0.93 -1.00 0.00 0.00 179.01 178.72 3fg0 h GLU 475 N 0.00 0.00 -0.64 2.33 4.39 -1.53 -2.50 114.58 116.63 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 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 3fg0 h GLU 475 CO 0.00 0.14 0.00 0.66 -1.16 0.00 0.00 179.01 178.65 3fg0 n TYR 476 N -4.21 1.11 -4.43 4.33 4.01 -0.07 -4.87 117.16 113.03 3fg0 n TYR 476 Ca -0.02 -0.48 -0.25 0.00 -0.16 0.00 0.00 57.90 56.98 3fg0 n TYR 476 Cb 0.21 -0.12 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 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 -1.36 2.48 -0.00 7.72 1.43 -0.94 -0.85 118.68 127.16 3fg0 s LEU 477 Ca 0.44 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 3fg0 s LEU 477 Cb 0.26 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 45.36 3fg0 s LEU 477 CO 0.25 0.08 -0.08 0.54 0.23 0.00 0.00 176.35 177.37 3fg0 s VAL 478 N -1.97 0.65 0.00 -1.59 0.11 0.55 -4.58 120.40 113.57 3fg0 s VAL 478 Ca 0.23 -0.40 -0.18 0.00 -2.93 0.00 0.00 61.98 58.70 3fg0 s VAL 478 Cb -0.07 -0.56 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 3fg0 s VAL 478 CO 0.11 0.15 0.51 -0.44 -3.33 0.00 0.00 175.10 172.09 3fg0 s SER 479 N -0.29 6.90 -0.11 3.54 0.01 -1.26 -0.76 113.70 121.72 3fg0 s SER 479 Ca 0.02 1.07 0.01 0.00 1.31 0.00 0.00 55.95 58.36 3fg0 s SER 479 Cb -0.04 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.90 3fg0 s SER 479 CO -0.00 0.21 -0.14 -0.75 0.41 0.00 0.00 173.24 172.97 3fg0 s LYS 480 N -0.61 2.12 -0.39 12.44 2.20 -0.17 -4.97 119.74 130.36 3fg0 s LYS 480 Ca 0.27 -0.52 -0.20 0.00 -0.36 0.00 0.00 55.97 55.16 3fg0 s LYS 480 Cb -0.18 -1.86 0.01 0.00 -1.51 0.00 0.00 37.83 34.29 3fg0 s LYS 480 CO 0.15 -0.11 0.63 -1.58 -0.36 0.00 0.00 175.35 174.08 3fg0 s HIS 481 N 1.14 3.12 -0.30 4.03 5.65 -1.26 -0.60 115.29 127.07 3fg0 s HIS 481 Ca -0.04 0.18 -0.08 0.00 0.25 0.00 0.00 55.06 55.37 3fg0 s HIS 481 Cb -0.14 -3.19 -0.00 0.00 -1.18 0.00 0.00 32.58 28.06 3fg0 s HIS 481 CO -0.04 -0.71 0.11 0.42 -0.65 0.00 0.00 174.74 173.88 3fg0 s ILE 482 N 2.72 4.29 -0.20 0.89 1.01 0.15 -4.98 121.20 125.08 3fg0 s ILE 482 Ca 0.23 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3fg0 s ILE 482 Cb -0.14 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 3fg0 s ILE 482 CO 0.16 0.10 -0.10 -0.22 0.00 0.00 0.00 174.94 174.88 3fg0 s LEU 483 N 1.56 2.63 -0.19 2.97 0.20 -1.26 -1.88 118.68 122.72 3fg0 s LEU 483 Ca 0.04 -0.47 -0.05 0.00 0.69 0.00 0.00 54.13 54.35 3fg0 s LEU 483 Cb -0.17 -1.64 -0.03 0.00 -0.43 0.00 0.00 46.19 43.92 3fg0 s LEU 483 CO 0.04 0.01 -0.00 -0.89 -0.29 0.00 0.00 176.35 175.22 3fg0 s THR 484 N 1.29 4.02 -0.40 3.68 2.01 -0.19 -4.96 115.64 121.08 3fg0 s THR 484 Ca 0.04 -0.30 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 3fg0 s THR 484 Cb -0.14 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.58 3fg0 s THR 484 CO -0.05 0.45 0.62 0.21 -0.69 0.00 0.00 174.62 175.16 3fg0 s ASN 485 N 0.75 6.35 0.00 3.53 3.84 -1.26 -0.63 114.94 127.53 3fg0 s ASN 485 Ca -0.00 -0.15 0.28 0.00 0.21 0.00 0.00 52.86 53.20 3fg0 s ASN 485 Cb -0.14 -2.32 1.05 0.00 -0.55 0.00 0.00 41.25 39.29 3fg0 s ASN 485 CO 0.02 -0.69 1.74 0.35 -2.79 0.00 0.00 177.10 175.74 3fg0 n THR 486 N 5.72 0.00 -3.09 -5.21 -2.24 -0.26 -4.16 114.28 105.04 3fg0 n THR 486 Ca -0.02 -0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.38 3fg0 n THR 486 Cb 0.48 0.35 -0.04 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.21 -0.45 -4.73 3.42 5.15 -1.24 -5.04 115.26 112.17 3fg0 n ASN 487 Ca 0.17 -2.87 -0.42 0.00 -0.60 0.00 0.00 54.58 50.86 3fg0 n ASN 487 Cb 0.33 -0.07 -0.03 0.00 -0.53 0.00 0.00 39.78 39.48 3fg0 n ASN 487 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fg0 s PRO 488 N -0.88 4.36 0.08 1.20 0.04 -1.26 -5.02 135.00 133.52 3fg0 s PRO 488 Ca 0.35 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.46 3fg0 s PRO 488 Cb 0.20 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.48 3fg0 s PRO 488 CO -0.13 -0.33 -0.11 -0.65 0.04 0.00 0.00 177.00 175.82 3fg0 s GLN 489 N 0.52 0.78 0.52 4.56 -1.52 -1.26 -5.13 119.66 118.14 3fg0 s GLN 489 Ca 0.60 -1.03 -0.21 0.00 -1.95 0.00 0.00 55.36 52.77 3fg0 s GLN 489 Cb -0.36 -0.58 -0.06 0.00 -0.22 0.00 0.00 33.01 31.79 3fg0 s GLN 489 CO 0.34 0.11 1.22 -0.51 -0.25 0.00 0.00 175.29 176.19 3fg0 s LEU 490 N -2.09 3.86 0.01 2.90 1.02 -1.26 -4.95 118.68 118.18 3fg0 s LEU 490 Ca 0.01 2.43 -0.09 0.00 0.02 0.00 0.00 54.13 56.50 3fg0 s LEU 490 Cb -0.06 -4.37 -0.31 0.00 0.02 0.00 0.00 46.19 41.47 3fg0 s LEU 490 CO 0.01 -1.27 0.90 0.58 0.02 0.00 0.00 176.35 176.59 3fg0 h VAL 491 N 1.47 1.20 -5.03 -1.59 2.07 -2.01 -3.48 116.25 108.87 3fg0 h VAL 491 Ca -0.50 -2.75 -0.41 0.00 0.82 0.00 0.00 66.70 63.86 3fg0 h VAL 491 Cb 1.27 2.87 0.08 0.00 -1.52 0.00 0.00 31.29 33.99 3fg0 h VAL 491 CO 0.58 0.84 -0.64 0.59 0.02 0.00 0.00 177.57 178.96 3fg0 n ASN 492 N -3.57 -6.10 -0.03 0.57 3.02 -1.26 -4.92 115.26 102.97 3fg0 n ASN 492 Ca -0.17 -0.39 -0.14 0.00 -0.03 0.00 0.00 54.58 53.85 3fg0 n ASN 492 Cb 1.07 -4.89 -0.10 0.00 -0.61 0.00 0.00 39.78 35.25 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 -1.84 0.14 -3.53 3.10 2.91 -2.03 -3.45 115.95 111.24 3fg0 h TRP 493 Ca -0.54 -0.06 -0.52 0.00 1.13 0.00 0.00 58.89 58.89 3fg0 h TRP 493 Cb 1.37 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.96 3fg0 h TRP 493 CO 0.53 0.72 0.09 -0.06 -1.03 0.00 0.00 178.44 178.68 3fg0 s PHE 494 N -3.68 3.66 0.27 2.65 0.08 -1.26 -5.01 117.98 114.68 3fg0 s PHE 494 Ca -0.16 1.36 -0.30 0.00 0.12 0.00 0.00 56.93 57.95 3fg0 s PHE 494 Cb 0.01 -2.60 -0.13 0.00 -0.57 0.00 0.00 43.02 39.74 3fg0 s PHE 494 CO 0.71 0.36 1.39 0.43 -0.10 0.00 0.00 175.22 178.01 3fg0 n SER 495 N 0.80 2.81 -0.71 1.36 7.64 -1.26 -5.15 113.62 119.11 3fg0 n SER 495 Ca -0.03 1.16 0.09 0.00 1.01 0.00 0.00 58.87 61.10 3fg0 n SER 495 Cb 0.51 -1.45 0.07 0.00 -1.01 0.00 0.00 64.21 62.33 3fg0 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32