#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 0.57 1.69 4.64 -2.04 0.73 113.55 119.15 3fg0 h SER -2 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3fg0 h SER -2 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3fg0 h SER -2 CO 0.00 0.03 -0.28 0.78 -0.87 0.00 0.00 176.83 176.50 3fg0 h ASN -1 N 0.00 -0.65 -0.76 4.97 2.35 -2.04 0.54 115.58 119.99 3fg0 h ASN -1 Ca -0.00 -0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 3fg0 h ASN -1 Cb 0.06 0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 3fg0 h ASN -1 CO 0.00 -0.36 0.39 0.00 -1.65 0.00 0.00 177.43 175.81 3fg0 h ALA 0 N -0.59 0.98 -0.95 -0.83 0.00 -1.75 -1.91 119.26 114.20 3fg0 h ALA 0 Ca -0.08 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.77 3fg0 h ALA 0 Cb 0.64 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3fg0 h ALA 0 CO 0.13 0.52 0.60 0.52 0.00 0.00 0.00 179.25 181.02 3fg0 h MET 1 N 1.07 1.04 0.00 0.00 2.86 0.50 0.36 114.93 120.76 3fg0 h MET 1 Ca 0.27 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 3fg0 h MET 1 Cb 0.08 -0.24 -0.00 0.00 0.06 0.00 0.00 31.60 31.50 3fg0 h MET 1 CO -0.04 0.69 -0.12 0.93 1.06 0.00 0.00 176.91 179.43 3fg0 h GLU 2 N 1.07 0.00 -0.51 1.72 5.08 -0.27 -2.03 114.58 119.65 3fg0 h GLU 2 Ca 0.42 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.73 3fg0 h GLU 2 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3fg0 h GLU 2 CO -0.19 0.12 0.11 -0.07 -1.00 0.00 0.00 179.01 177.98 3fg0 h LEU 3 N 0.00 0.73 -2.78 1.33 3.38 0.46 -2.09 115.31 116.34 3fg0 h LEU 3 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3fg0 h LEU 3 Cb 0.47 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3fg0 h LEU 3 CO 0.02 0.73 0.00 -0.07 0.09 0.00 0.00 178.44 179.21 3fg0 h LEU 4 N 0.76 0.00 -2.10 1.67 3.38 -1.00 -2.41 115.31 115.61 3fg0 h LEU 4 Ca 0.17 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.21 3fg0 h LEU 4 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3fg0 h LEU 4 CO 0.00 0.00 0.20 0.07 0.09 0.00 0.00 178.44 178.80 3fg0 h LYS 5 N 0.00 0.00 -0.07 1.13 2.10 -1.46 -2.51 116.57 115.76 3fg0 h LYS 5 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3fg0 h LYS 5 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3fg0 h LYS 5 CO 0.00 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.17 3fg0 n HIS 6 N -4.20 0.08 -2.73 0.07 8.25 -0.91 -5.02 115.22 110.75 3fg0 n HIS 6 Ca 0.03 -0.10 -0.40 0.00 -0.26 0.00 0.00 57.72 56.99 3fg0 n HIS 6 Cb 0.35 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.39 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 -0.81 4.62 0.62 2.41 2.96 -0.95 -5.01 118.68 122.51 3fg0 s LEU 7 Ca 0.12 1.96 -0.19 0.00 -0.22 0.00 0.00 54.13 55.81 3fg0 s LEU 7 Cb 0.08 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 3fg0 s LEU 7 CO 0.12 0.12 1.26 -0.55 -1.32 0.00 0.00 176.35 175.98 3fg0 s SER 8 N -1.19 4.90 0.00 3.68 0.15 -1.26 -4.94 113.70 115.04 3fg0 s SER 8 Ca 0.42 2.53 0.08 0.00 0.70 0.00 0.00 55.95 59.68 3fg0 s SER 8 Cb -0.26 -2.61 0.18 0.00 -1.71 0.00 0.00 66.02 61.62 3fg0 s SER 8 CO 0.32 -1.80 1.06 0.00 1.20 0.00 0.00 173.24 174.02 3fg0 n GLN 9 N -1.71 2.02 -3.94 5.44 6.02 -1.26 -4.99 117.38 118.96 3fg0 n GLN 9 Ca 0.15 -1.63 -0.24 0.00 -0.01 0.00 0.00 57.00 55.27 3fg0 n GLN 9 Cb 0.49 -1.19 -0.06 0.00 1.02 0.00 0.00 30.24 30.50 3fg0 n GLN 9 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fg0 s ARG 10 N -0.91 2.33 0.67 -1.09 0.52 -1.26 -0.84 118.95 118.37 3fg0 s ARG 10 Ca 0.15 -1.76 -0.09 0.00 -0.52 0.00 0.00 55.73 53.51 3fg0 s ARG 10 Cb 0.09 -2.11 0.02 0.00 0.52 0.00 0.00 34.95 33.46 3fg0 s ARG 10 CO 0.12 -0.17 1.02 -0.65 0.02 0.00 0.00 175.30 175.64 3fg0 s GLN 11 N -4.00 2.77 -0.26 3.54 -0.21 -0.01 -4.82 119.66 116.67 3fg0 s GLN 11 Ca 0.43 0.21 0.01 0.00 0.02 0.00 0.00 55.36 56.02 3fg0 s GLN 11 Cb 0.01 -2.12 0.07 0.00 1.00 0.00 0.00 33.01 31.98 3fg0 s GLN 11 CO 0.24 -0.97 0.00 -0.47 -2.12 0.00 0.00 175.29 171.97 3fg0 s TYR 12 N -3.23 2.38 -0.07 0.91 5.04 -0.22 -0.12 117.35 122.04 3fg0 s TYR 12 Ca 0.57 -1.89 0.01 0.00 -2.44 0.00 0.00 57.07 53.32 3fg0 s TYR 12 Cb -0.11 -1.79 0.02 0.00 0.35 0.00 0.00 41.96 40.43 3fg0 s TYR 12 CO 0.49 -0.81 -0.08 0.42 -1.34 0.00 0.00 175.55 174.23 3fg0 s ILE 13 N 1.39 0.85 -1.34 3.14 1.01 -0.25 0.27 121.20 126.27 3fg0 s ILE 13 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.35 3fg0 s ILE 13 Cb -0.18 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 3fg0 s ILE 13 CO -0.11 0.31 0.54 -0.67 0.00 0.00 0.00 174.94 175.01 3fg0 n ASP 14 N 4.25 -1.29 0.00 3.58 2.03 -1.26 -1.82 116.55 122.04 3fg0 n ASP 14 Ca -0.20 -0.96 0.00 0.00 0.52 0.00 0.00 54.79 54.15 3fg0 n ASP 14 Cb 0.51 -3.34 0.00 0.00 -0.72 0.00 0.00 41.12 37.56 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 -1.84 0.90 3.10 0.27 0.00 -1.26 -4.64 105.19 101.72 3fg0 n GLY 15 Ca -0.28 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.08 1.14 -0.17 1.61 0.41 -0.75 -5.07 118.70 115.78 3fg0 s GLU 16 Ca 0.00 -0.49 -0.29 0.00 -0.41 0.00 0.00 54.97 53.78 3fg0 s GLU 16 Cb 0.00 -1.09 -0.01 0.00 -1.78 0.00 0.00 34.13 31.25 3fg0 s GLU 16 CO 0.00 0.28 1.13 -1.58 -0.49 0.00 0.00 175.26 174.60 3fg0 s TRP 17 N -0.27 3.19 0.04 1.61 0.52 -1.26 -1.09 118.94 121.67 3fg0 s TRP 17 Ca 0.04 1.31 0.02 0.00 0.02 0.00 0.00 56.10 57.49 3fg0 s TRP 17 Cb -0.06 -3.35 -0.02 0.00 -1.15 0.00 0.00 33.47 28.89 3fg0 s TRP 17 CO -0.00 -0.94 -0.07 0.14 0.02 0.00 0.00 176.95 176.10 3fg0 s VAL 18 N 3.00 0.49 1.00 4.03 -7.23 0.83 -4.93 120.40 117.60 3fg0 s VAL 18 Ca 0.49 -1.04 -0.15 0.00 -1.81 0.00 0.00 61.98 59.48 3fg0 s VAL 18 Cb -0.19 -0.57 0.19 0.00 0.56 0.00 0.00 36.38 36.38 3fg0 s VAL 18 CO 0.12 -0.38 1.17 -1.61 -0.31 0.00 0.00 175.10 174.10 3fg0 s GLU 19 N -1.53 0.39 0.56 4.82 2.02 -1.26 -0.83 118.70 122.87 3fg0 s GLU 19 Ca -0.10 0.04 -0.20 0.00 0.02 0.00 0.00 54.97 54.73 3fg0 s GLU 19 Cb -0.10 -1.77 -0.05 0.00 0.10 0.00 0.00 34.13 32.31 3fg0 s GLU 19 CO 0.00 -2.66 1.22 0.45 0.02 0.00 0.00 175.26 174.30 3fg0 s SER 20 N -4.18 5.42 0.50 -0.19 0.15 -1.26 -4.84 113.70 109.30 3fg0 s SER 20 Ca 0.68 2.44 0.21 0.00 0.70 0.00 0.00 55.95 59.97 3fg0 s SER 20 Cb -0.11 -2.61 1.27 0.00 -1.71 0.00 0.00 66.02 62.86 3fg0 s SER 20 CO 0.54 -1.44 2.01 0.00 1.20 0.00 0.00 173.24 175.55 3fg0 h ALA 21 N 1.24 2.29 -0.52 5.45 0.00 -1.95 -0.91 119.26 124.87 3fg0 h ALA 21 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3fg0 h ALA 21 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fg0 h ALA 21 CO 0.57 -0.42 0.00 0.27 0.00 0.00 0.00 179.25 179.66 3fg0 n ASN 22 N -4.43 3.48 -1.21 0.00 0.23 -1.26 -4.95 115.26 107.11 3fg0 n ASN 22 Ca 0.08 -1.97 -0.16 0.00 -0.53 0.00 0.00 54.58 52.01 3fg0 n ASN 22 Cb 0.48 -0.35 -0.07 0.00 -2.08 0.00 0.00 39.78 37.77 3fg0 n ASN 22 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 3fg0 n LYS 23 N 1.25 -1.37 -1.86 -3.83 4.76 -0.35 -4.98 118.16 111.79 3fg0 n LYS 23 Ca 0.19 1.05 -0.33 0.00 -2.87 0.00 0.00 58.31 56.34 3fg0 n LYS 23 Cb 0.55 -5.34 0.04 0.00 -1.84 0.00 0.00 35.03 28.43 3fg0 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3fg0 s ASN 24 N -2.68 5.28 0.16 4.39 2.47 -1.26 -4.91 114.94 118.39 3fg0 s ASN 24 Ca 0.00 1.99 -0.02 0.00 0.42 0.00 0.00 52.86 55.26 3fg0 s ASN 24 Cb 0.00 -2.55 -0.04 0.00 -1.45 0.00 0.00 41.25 37.21 3fg0 s ASN 24 CO 0.00 -1.51 0.10 0.42 -3.72 0.00 0.00 177.10 172.39 3fg0 s THR 25 N -2.29 0.06 -0.01 -5.21 -4.23 -1.26 -1.03 115.64 101.67 3fg0 s THR 25 Ca 0.67 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 59.27 3fg0 s THR 25 Cb -0.20 -2.20 0.01 0.00 1.34 0.00 0.00 72.50 71.44 3fg0 s THR 25 CO 0.39 -0.28 0.01 -0.60 -0.54 0.00 0.00 174.62 173.60 3fg0 s ARG 26 N -4.08 -0.01 -0.02 3.99 3.52 0.31 -4.71 118.95 117.95 3fg0 s ARG 26 Ca 0.29 0.06 -0.21 0.00 -0.13 0.00 0.00 55.73 55.74 3fg0 s ARG 26 Cb 0.07 -0.07 -0.05 0.00 -1.56 0.00 0.00 34.95 33.34 3fg0 s ARG 26 CO 0.06 -0.05 0.61 -0.51 -0.81 0.00 0.00 175.30 174.60 3fg0 s ASP 27 N 0.31 6.97 -0.14 -2.12 1.01 -1.26 -1.40 116.67 120.04 3fg0 s ASP 27 Ca -0.03 1.16 -0.08 0.00 0.71 0.00 0.00 52.55 54.32 3fg0 s ASP 27 Cb -0.04 -2.37 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 3fg0 s ASP 27 CO -0.01 0.07 0.14 -0.63 0.21 0.00 0.00 175.17 174.94 3fg0 s ILE 28 N -0.02 5.47 0.10 0.77 -1.09 0.14 -5.00 121.20 121.58 3fg0 s ILE 28 Ca 0.32 0.20 0.08 0.00 -2.23 0.00 0.00 60.65 59.02 3fg0 s ILE 28 Cb -0.18 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.25 3fg0 s ILE 28 CO 0.17 0.58 -0.14 -0.63 -1.23 0.00 0.00 174.94 173.69 3fg0 s ILE 29 N -0.74 3.10 -0.36 2.92 -1.09 -1.26 -0.44 121.20 123.32 3fg0 s ILE 29 Ca 0.14 -1.34 -0.17 0.00 -2.23 0.00 0.00 60.65 57.04 3fg0 s ILE 29 Cb -0.12 -2.42 -0.00 0.00 -1.58 0.00 0.00 42.46 38.34 3fg0 s ILE 29 CO 0.03 0.14 0.48 0.21 -1.23 0.00 0.00 174.94 174.57 3fg0 s ASN 30 N -2.07 6.27 0.47 3.58 3.84 -0.53 -4.78 114.94 121.72 3fg0 s ASN 30 Ca 0.19 -0.18 0.32 0.00 0.21 0.00 0.00 52.86 53.40 3fg0 s ASN 30 Cb -0.11 -2.25 1.62 0.00 -0.55 0.00 0.00 41.25 39.96 3fg0 s ASN 30 CO 0.11 -0.48 1.97 1.55 -2.79 0.00 0.00 177.10 177.46 3fg0 h PRO 31 N 8.52 0.00 -0.43 0.43 0.13 -1.80 0.20 132.00 139.05 3fg0 h PRO 31 Ca -0.28 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.79 3fg0 h PRO 31 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 3fg0 h PRO 31 CO 0.77 0.00 0.02 -0.92 -0.23 0.00 0.00 178.00 177.63 3fg0 h TYR 32 N 0.00 0.73 0.00 1.56 3.20 -1.89 -1.70 116.97 118.87 3fg0 h TYR 32 Ca 0.00 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.78 3fg0 h TYR 32 Cb 0.14 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3fg0 h TYR 32 CO 0.00 0.68 0.00 0.27 -1.64 0.00 0.00 178.16 177.47 3fg0 n ASN 33 N -4.25 0.49 -2.09 -2.11 0.23 -1.03 -2.83 115.26 103.68 3fg0 n ASN 33 Ca 0.02 -1.12 -0.13 0.00 -0.53 0.00 0.00 54.58 52.83 3fg0 n ASN 33 Cb 0.27 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.06 -1.89 -3.26 -3.83 6.02 0.68 -4.74 117.38 110.31 3fg0 n GLN 34 Ca 0.00 0.67 -0.35 0.00 -0.01 0.00 0.00 57.00 57.31 3fg0 n GLN 34 Cb 0.23 -5.16 -0.06 0.00 1.02 0.00 0.00 30.24 26.28 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 -4.40 4.06 -0.01 -1.09 2.02 -1.23 -4.81 118.70 113.23 3fg0 s GLU 35 Ca 0.00 0.61 -0.30 0.00 0.02 0.00 0.00 54.97 55.30 3fg0 s GLU 35 Cb 0.00 -2.86 -0.06 0.00 0.10 0.00 0.00 34.13 31.32 3fg0 s GLU 35 CO 0.00 0.42 1.46 0.08 0.02 0.00 0.00 175.26 177.24 3fg0 s VAL 36 N -1.55 3.64 -0.25 2.63 1.01 -1.26 -1.46 120.40 123.16 3fg0 s VAL 36 Ca 0.41 0.99 0.09 0.00 0.00 0.00 0.00 61.98 63.47 3fg0 s VAL 36 Cb -0.15 -3.64 -0.11 0.00 0.00 0.00 0.00 36.38 32.48 3fg0 s VAL 36 CO 0.20 -0.02 0.30 2.30 0.00 0.00 0.00 175.10 177.88 3fg0 n ILE 37 N 4.84 0.00 -3.53 2.22 -5.35 0.41 -4.95 119.36 113.01 3fg0 n ILE 37 Ca 0.14 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.25 3fg0 n ILE 37 Cb 0.43 0.72 -0.04 0.00 -1.74 0.00 0.00 39.64 39.01 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 -2.15 -0.41 -0.09 4.28 5.36 -1.19 -5.01 117.98 118.77 3fg0 s PHE 38 Ca 0.01 0.51 0.01 0.00 -0.96 0.00 0.00 56.93 56.50 3fg0 s PHE 38 Cb 0.06 0.49 0.02 0.00 -0.34 0.00 0.00 43.02 43.25 3fg0 s PHE 38 CO 0.37 -0.50 -0.12 0.99 -1.46 0.00 0.00 175.22 174.50 3fg0 s THR 39 N -2.15 1.21 0.25 0.12 2.01 -1.26 0.27 115.64 116.09 3fg0 s THR 39 Ca -0.00 -0.48 0.08 0.00 0.31 0.00 0.00 61.69 61.61 3fg0 s THR 39 Cb -0.01 -1.14 -0.05 0.00 0.01 0.00 0.00 72.50 71.32 3fg0 s THR 39 CO -0.03 0.38 -0.13 0.68 -0.69 0.00 0.00 174.62 174.84 3fg0 s VAL 40 N 1.04 1.88 0.46 3.82 -7.23 -0.49 -4.79 120.40 115.08 3fg0 s VAL 40 Ca -0.07 -2.23 -0.25 0.00 -1.81 0.00 0.00 61.98 57.63 3fg0 s VAL 40 Cb -0.15 -2.23 -0.08 0.00 0.56 0.00 0.00 36.38 34.48 3fg0 s VAL 40 CO -0.01 -0.46 1.34 -1.20 -0.31 0.00 0.00 175.10 174.46 3fg0 n SER 41 N -0.50 2.85 -4.08 4.85 7.64 -0.02 -0.53 113.62 123.83 3fg0 n SER 41 Ca -0.07 1.09 -0.34 0.00 1.01 0.00 0.00 58.87 60.56 3fg0 n SER 41 Cb 0.61 -1.55 -0.13 0.00 -1.01 0.00 0.00 64.21 62.13 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 -2.42 1.79 0.93 1.43 2.56 -0.20 -4.56 118.70 118.22 3fg0 s GLU 42 Ca 0.63 -1.84 -0.12 0.00 0.00 0.00 0.00 54.97 53.64 3fg0 s GLU 42 Cb -0.47 -3.43 0.15 0.00 2.00 0.00 0.00 34.13 32.38 3fg0 s GLU 42 CO 0.56 -1.02 1.09 0.20 -0.56 0.00 0.00 175.26 175.53 3fg0 s GLY 43 N 1.44 1.61 0.39 -1.50 0.00 0.20 -4.39 107.32 105.08 3fg0 s GLY 43 Ca 0.09 -0.06 0.08 0.00 0.00 0.00 0.00 44.72 44.83 3fg0 s GLY 43 CO -0.06 0.45 0.25 -0.51 0.00 0.00 0.00 173.10 173.24 3fg0 s THR 44 N -2.89 2.66 0.46 0.90 -4.23 -1.26 -4.81 115.64 106.48 3fg0 s THR 44 Ca 0.64 -1.54 0.14 0.00 -1.18 0.00 0.00 61.69 59.75 3fg0 s THR 44 Cb -0.19 -3.01 0.21 0.00 1.34 0.00 0.00 72.50 70.85 3fg0 s THR 44 CO 0.58 -0.05 2.03 0.07 -0.54 0.00 0.00 174.62 176.71 3fg0 h LYS 45 N 1.29 0.05 -0.13 3.99 2.10 -1.94 -1.94 116.57 119.98 3fg0 h LYS 45 Ca -0.43 -0.01 -0.12 0.00 -2.00 0.00 0.00 60.65 58.09 3fg0 h LYS 45 Cb 1.26 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3fg0 h LYS 45 CO 0.63 0.16 -0.46 0.93 -2.00 0.00 0.00 179.45 178.71 3fg0 h GLU 46 N 0.05 0.33 -0.58 0.07 3.07 -1.95 -1.15 114.58 114.42 3fg0 h GLU 46 Ca 0.01 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 3fg0 h GLU 46 Cb 0.22 0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.11 3fg0 h GLU 46 CO 0.01 0.72 0.21 -0.44 -1.40 0.00 0.00 179.01 178.11 3fg0 h ASP 47 N 0.27 0.82 -0.69 1.42 3.32 -1.76 -0.38 116.42 119.42 3fg0 h ASP 47 Ca 0.02 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3fg0 h ASP 47 Cb 0.91 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 3fg0 h ASP 47 CO 0.08 0.79 0.26 0.00 -1.72 0.00 0.00 179.24 178.64 3fg0 h ALA 48 N 1.06 0.89 -0.50 3.45 0.00 -1.11 -1.33 119.26 121.73 3fg0 h ALA 48 Ca 0.19 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 48 Cb 0.24 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3fg0 h ALA 48 CO -0.01 0.53 0.13 1.49 0.00 0.00 0.00 179.25 181.39 3fg0 h GLU 49 N 0.98 0.79 -0.86 0.00 4.81 -1.07 -1.90 114.58 117.33 3fg0 h GLU 49 Ca 0.23 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3fg0 h GLU 49 Cb 0.23 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.46 3fg0 h GLU 49 CO -0.02 0.76 0.50 -0.09 -0.73 0.00 0.00 179.01 179.43 3fg0 h ARG 50 N 0.68 1.18 -0.58 1.92 2.43 -0.72 -1.02 114.38 118.27 3fg0 h ARG 50 Ca 0.16 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.17 3fg0 h ARG 50 Cb 0.31 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3fg0 h ARG 50 CO -0.00 0.84 0.18 0.00 -1.51 0.00 0.00 179.97 179.48 3fg0 h ALA 51 N 1.36 0.76 -0.35 2.80 0.00 -1.04 -0.44 119.26 122.36 3fg0 h ALA 51 Ca 0.31 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 51 Cb -0.03 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3fg0 h ALA 51 CO -0.06 0.43 0.07 0.82 0.00 0.00 0.00 179.25 180.51 3fg0 h ILE 52 N 0.82 1.23 -0.41 0.00 2.04 -0.96 -0.53 117.51 119.69 3fg0 h ILE 52 Ca 0.19 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 3fg0 h ILE 52 Cb 0.28 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3fg0 h ILE 52 CO -0.01 0.27 0.09 -0.07 0.00 0.00 0.00 178.15 178.43 3fg0 h LEU 53 N 0.41 0.56 -0.50 1.44 3.38 -1.06 -0.30 115.31 119.24 3fg0 h LEU 53 Ca 0.11 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 3fg0 h LEU 53 Cb 0.32 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3fg0 h LEU 53 CO 0.00 0.57 -0.17 0.00 0.09 0.00 0.00 178.44 178.93 3fg0 h ALA 54 N 1.51 0.69 -0.66 1.53 0.00 -0.82 -1.07 119.26 120.45 3fg0 h ALA 54 Ca 0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3fg0 h ALA 54 Cb 0.23 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 54 CO -0.00 0.64 0.11 0.00 0.00 0.00 0.00 179.25 180.00 3fg0 h ALA 55 N 0.88 0.94 -0.33 0.00 0.00 -0.57 -0.83 119.26 119.35 3fg0 h ALA 55 Ca 0.12 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3fg0 h ALA 55 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3fg0 h ALA 55 CO 0.06 0.66 -0.07 -0.09 0.00 0.00 0.00 179.25 179.81 3fg0 h ARG 56 N 1.02 0.62 -0.58 0.00 9.65 -0.88 0.57 114.38 124.79 3fg0 h ARG 56 Ca 0.20 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3fg0 h ARG 56 Cb 0.43 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.94 3fg0 h ARG 56 CO 0.01 0.79 0.32 -0.09 2.80 0.00 0.00 179.97 183.81 3fg0 h ARG 57 N 0.41 0.80 -0.41 0.20 2.43 -1.04 -0.98 114.38 115.78 3fg0 h ARG 57 Ca 0.08 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3fg0 h ARG 57 Cb 0.55 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 3fg0 h ARG 57 CO 0.03 0.60 0.19 0.00 -1.51 0.00 0.00 179.97 179.28 3fg0 h ALA 58 N 1.15 0.53 -0.50 2.80 0.00 -0.94 -1.47 119.26 120.83 3fg0 h ALA 58 Ca 0.20 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3fg0 h ALA 58 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 3fg0 h ALA 58 CO -0.03 0.11 0.27 0.35 0.00 0.00 0.00 179.25 179.94 3fg0 h PHE 59 N 0.52 0.49 0.00 0.00 3.57 -0.53 -2.68 116.94 118.31 3fg0 h PHE 59 Ca 0.14 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.60 3fg0 h PHE 59 Cb 0.14 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3fg0 h PHE 59 CO -0.01 0.25 -0.30 0.93 -2.23 0.00 0.00 178.31 176.95 3fg0 h GLU 60 N 0.52 0.00 0.00 1.11 4.39 -0.91 -2.40 114.58 117.29 3fg0 h GLU 60 Ca 0.22 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 3fg0 h GLU 60 Cb 0.10 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.75 3fg0 h GLU 60 CO -0.14 0.30 -0.16 0.66 -1.16 0.00 0.00 179.01 178.51 3fg0 h SER 61 N 0.00 0.00 0.00 1.42 4.64 -0.93 -3.47 113.55 115.21 3fg0 h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fg0 h SER 61 Cb 0.68 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.77 3fg0 h SER 61 CO 0.04 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 3fg0 n GLY 62 N -0.17 0.53 0.24 -0.77 0.00 -0.90 -4.90 105.19 99.22 3fg0 n GLY 62 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 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 1.37 0.26 0.00 1.61 5.08 -1.85 -0.18 114.58 120.87 3fg0 h GLU 63 Ca 0.00 -0.06 -0.36 0.00 -1.00 0.00 0.00 59.36 57.94 3fg0 h GLU 63 Cb 0.15 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3fg0 h GLU 63 CO 0.00 0.39 -2.32 1.87 -1.00 0.00 0.00 179.01 177.95 3fg0 n TRP 64 N -4.27 0.00 0.25 4.33 -0.00 -1.26 -4.07 117.44 112.42 3fg0 n TRP 64 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.61 3fg0 n TRP 64 Cb 0.27 -0.87 0.64 0.00 -0.00 0.00 0.00 31.31 31.34 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 -0.34 5.87 4.64 -1.62 -2.35 113.55 119.48 3fg0 h SER 65 Ca -0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 3fg0 h SER 65 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3fg0 h SER 65 CO -0.17 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 175.95 3fg0 n GLN 66 N -3.53 2.40 -1.69 4.77 1.13 -0.08 -4.90 117.38 115.47 3fg0 n GLN 66 Ca -0.01 -1.99 -0.34 0.00 -1.94 0.00 0.00 57.00 52.72 3fg0 n GLN 66 Cb 0.31 -1.32 0.06 0.00 0.11 0.00 0.00 30.24 29.40 3fg0 n GLN 66 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fg0 s GLU 67 N -1.04 2.61 0.50 -1.09 2.56 -0.88 -4.96 118.70 116.40 3fg0 s GLU 67 Ca 0.26 1.57 -0.23 0.00 0.00 0.00 0.00 54.97 56.57 3fg0 s GLU 67 Cb 0.14 -1.91 -0.06 0.00 2.00 0.00 0.00 34.13 34.30 3fg0 s GLU 67 CO 0.19 -1.43 1.32 0.95 -0.56 0.00 0.00 175.26 175.74 3fg0 s THR 68 N -2.12 2.35 0.39 -1.70 -4.23 -1.26 -4.87 115.64 104.20 3fg0 s THR 68 Ca 0.71 0.27 0.06 0.00 -1.18 0.00 0.00 61.69 61.54 3fg0 s THR 68 Cb -0.24 -3.14 0.25 0.00 1.34 0.00 0.00 72.50 70.70 3fg0 s THR 68 CO 0.41 0.01 2.03 0.00 -0.54 0.00 0.00 174.62 176.53 3fg0 h ALA 69 N 1.84 1.63 -0.50 3.99 0.00 -1.93 -1.43 119.26 122.86 3fg0 h ALA 69 Ca -0.50 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 3fg0 h ALA 69 Cb 1.28 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 3fg0 h ALA 69 CO 0.59 0.33 0.29 1.49 0.00 0.00 0.00 179.25 181.95 3fg0 h GLU 70 N 0.63 0.68 -0.37 0.00 4.81 -1.90 -1.05 114.58 117.37 3fg0 h GLU 70 Ca 0.17 -0.07 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 3fg0 h GLU 70 Cb -0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3fg0 h GLU 70 CO -0.03 0.51 -0.34 1.15 -0.73 0.00 0.00 179.01 179.57 3fg0 h THR 71 N 0.66 1.28 -0.75 0.32 2.02 -1.80 -1.95 112.91 112.69 3fg0 h THR 71 Ca 0.18 -1.50 -0.03 0.00 0.77 0.00 0.00 66.41 65.83 3fg0 h THR 71 Cb 0.01 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 67.74 3fg0 h THR 71 CO -0.03 0.50 0.37 0.03 0.37 0.00 0.00 175.52 176.76 3fg0 h ARG 72 N 0.69 1.07 -0.76 6.66 3.08 -1.06 -1.77 114.38 122.29 3fg0 h ARG 72 Ca 0.07 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3fg0 h ARG 72 Cb 0.90 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.72 3fg0 h ARG 72 CO 0.08 0.82 0.27 0.78 -1.07 0.00 0.00 179.97 180.85 3fg0 h GLY 73 N 1.11 1.24 1.01 0.04 0.00 -0.88 -1.55 103.07 104.05 3fg0 h GLY 73 Ca 0.26 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.89 3fg0 h GLY 73 CO -0.04 0.66 0.58 0.50 0.00 0.00 0.00 176.54 178.25 3fg0 h LYS 74 N 1.12 1.25 -0.57 4.80 1.57 -0.57 -0.38 116.57 123.79 3fg0 h LYS 74 Ca 0.25 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 3fg0 h LYS 74 Cb 0.26 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3fg0 h LYS 74 CO -0.01 0.86 0.01 0.87 -0.57 0.00 0.00 179.45 180.60 3fg0 h LYS 75 N 1.27 0.99 -0.43 3.15 1.79 -0.98 -1.25 116.57 121.13 3fg0 h LYS 75 Ca 0.34 -0.31 -0.08 0.00 -2.18 0.00 0.00 60.65 58.41 3fg0 h LYS 75 Cb -0.09 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 3fg0 h LYS 75 CO -0.07 0.99 -0.06 0.28 -1.08 0.00 0.00 179.45 179.51 3fg0 h VAL 76 N 0.88 1.25 -0.78 0.50 2.07 -1.04 -1.87 116.25 117.25 3fg0 h VAL 76 Ca 0.16 -1.07 -0.05 0.00 0.82 0.00 0.00 66.70 66.56 3fg0 h VAL 76 Cb 0.54 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.26 3fg0 h VAL 76 CO 0.03 0.37 0.30 -0.09 0.02 0.00 0.00 177.57 178.20 3fg0 h ARG 77 N 0.68 1.18 -0.67 1.57 1.12 -0.89 -1.25 114.38 116.12 3fg0 h ARG 77 Ca 0.12 -0.22 -0.02 0.00 -1.11 0.00 0.00 59.98 58.75 3fg0 h ARG 77 Cb 0.51 -0.19 -0.03 0.00 -0.01 0.00 0.00 29.97 30.25 3fg0 h ARG 77 CO 0.03 0.96 0.32 0.00 -3.11 0.00 0.00 179.97 178.17 3fg0 h ALA 78 N 1.18 1.31 -0.31 2.80 0.00 -0.52 0.01 119.26 123.74 3fg0 h ALA 78 Ca 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3fg0 h ALA 78 Cb 0.23 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3fg0 h ALA 78 CO -0.02 0.54 0.11 0.82 0.00 0.00 0.00 179.25 180.70 3fg0 h ILE 79 N 0.94 1.19 -0.62 0.00 2.04 -0.92 -1.53 117.51 118.60 3fg0 h ILE 79 Ca 0.23 -0.59 0.11 0.00 1.00 0.00 0.00 64.86 65.61 3fg0 h ILE 79 Cb 0.09 1.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.09 3fg0 h ILE 79 CO -0.03 0.20 0.18 0.00 0.00 0.00 0.00 178.15 178.50 3fg0 h ALA 80 N 0.96 0.78 -0.41 1.87 0.00 -0.13 -1.69 119.26 120.63 3fg0 h ALA 80 Ca 0.10 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 3fg0 h ALA 80 Cb 0.20 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 3fg0 h ALA 80 CO -0.01 -0.26 0.04 -0.44 0.00 0.00 0.00 179.25 178.58 3fg0 h ASP 81 N 0.33 0.60 -0.66 0.00 3.32 -0.69 -2.28 116.42 117.03 3fg0 h ASP 81 Ca 0.32 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 3fg0 h ASP 81 Cb 0.46 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3fg0 h ASP 81 CO -0.37 0.64 0.27 0.11 -1.72 0.00 0.00 179.24 178.17 3fg0 h LYS 82 N 0.61 1.01 -0.23 3.56 1.79 -0.42 0.08 116.57 122.97 3fg0 h LYS 82 Ca 0.13 -0.17 -0.01 0.00 -2.18 0.00 0.00 60.65 58.42 3fg0 h LYS 82 Cb 0.33 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 3fg0 h LYS 82 CO 0.01 0.83 0.10 0.82 -1.08 0.00 0.00 179.45 180.13 3fg0 h ILE 83 N 0.99 1.15 -0.66 1.86 1.08 -0.83 -1.51 117.51 119.59 3fg0 h ILE 83 Ca 0.23 -0.45 -0.08 0.00 -0.39 0.00 0.00 64.86 64.17 3fg0 h ILE 83 Cb 0.20 1.03 -0.03 0.00 -3.07 0.00 0.00 36.82 34.95 3fg0 h ILE 83 CO -0.02 0.15 0.08 0.50 -0.69 0.00 0.00 178.15 178.17 3fg0 h LYS 84 N 0.23 1.12 -1.00 2.37 3.64 -1.24 -0.41 116.57 121.27 3fg0 h LYS 84 Ca 0.08 -0.31 0.07 0.00 -1.27 0.00 0.00 60.65 59.21 3fg0 h LYS 84 Cb 0.14 -0.12 -0.07 0.00 -0.41 0.00 0.00 32.23 31.77 3fg0 h LYS 84 CO -0.01 1.03 0.65 1.49 -2.27 0.00 0.00 179.45 180.34 3fg0 h GLU 85 N 1.04 1.14 -0.44 1.90 4.81 -0.76 -2.67 114.58 119.60 3fg0 h GLU 85 Ca 0.20 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3fg0 h GLU 85 Cb 0.47 -0.26 -0.07 0.00 0.63 0.00 0.00 28.75 29.53 3fg0 h GLU 85 CO 0.02 0.75 0.07 0.72 -0.73 0.00 0.00 179.01 179.84 3fg0 n HIS 86 N -4.51 1.48 -0.19 0.92 8.25 -0.59 -4.76 115.22 115.83 3fg0 n HIS 86 Ca 0.15 -1.16 -0.02 0.00 -0.26 0.00 0.00 57.72 56.44 3fg0 n HIS 86 Cb 0.19 -0.48 0.05 0.00 1.12 0.00 0.00 29.99 30.87 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 1.89 -0.01 -0.12 -0.41 2.43 -0.71 -0.71 114.38 116.74 3fg0 h ARG 87 Ca 0.14 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3fg0 h ARG 87 Cb 1.79 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.34 3fg0 h ARG 87 CO 0.43 -0.01 0.03 0.93 -1.51 0.00 0.00 179.97 179.85 3fg0 h GLU 88 N -0.01 0.18 -0.40 0.20 4.39 -1.85 -0.62 114.58 116.46 3fg0 h GLU 88 Ca 0.28 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.92 3fg0 h GLU 88 Cb 0.44 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3fg0 h GLU 88 CO -0.61 0.33 0.18 0.00 -1.16 0.00 0.00 179.01 177.76 3fg0 h ALA 89 N 0.84 0.52 -0.53 3.43 0.00 -1.88 -1.86 119.26 119.78 3fg0 h ALA 89 Ca 0.04 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 89 Cb 0.22 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3fg0 h ALA 89 CO -0.00 0.10 0.33 -0.07 0.00 0.00 0.00 179.25 179.61 3fg0 h LEU 90 N 0.51 0.62 -0.79 0.00 3.38 -1.09 -0.60 115.31 117.35 3fg0 h LEU 90 Ca 0.14 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3fg0 h LEU 90 Cb 0.14 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3fg0 h LEU 90 CO -0.02 0.48 0.42 0.00 0.09 0.00 0.00 178.44 179.42 3fg0 h ALA 91 N 1.17 1.01 -0.41 1.53 0.00 -0.97 -0.91 119.26 120.68 3fg0 h ALA 91 Ca 0.19 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 91 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3fg0 h ALA 91 CO -0.04 0.53 0.03 0.00 0.00 0.00 0.00 179.25 179.77 3fg0 h ARG 92 N 1.10 0.70 -0.83 0.00 3.08 -0.95 -1.71 114.38 115.77 3fg0 h ARG 92 Ca 0.28 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3fg0 h ARG 92 Cb 0.05 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.99 3fg0 h ARG 92 CO -0.04 0.76 0.48 1.25 -1.07 0.00 0.00 179.97 181.35 3fg0 h LEU 93 N 0.53 1.01 -0.64 3.04 5.85 -0.87 -0.66 115.31 123.58 3fg0 h LEU 93 Ca 0.12 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 3fg0 h LEU 93 Cb 0.43 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3fg0 h LEU 93 CO 0.01 0.80 0.20 -0.08 -0.34 0.00 0.00 178.44 179.04 3fg0 h GLU 94 N 1.15 0.99 -0.71 1.25 4.57 -0.92 -0.97 114.58 119.94 3fg0 h GLU 94 Ca 0.30 -0.21 -0.06 0.00 -1.18 0.00 0.00 59.36 58.20 3fg0 h GLU 94 Cb -0.01 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 3fg0 h GLU 94 CO -0.05 0.87 0.19 1.15 -1.18 0.00 0.00 179.01 179.99 3fg0 h THR 95 N 0.92 1.26 -0.43 0.32 2.02 -1.04 0.04 112.91 116.00 3fg0 h THR 95 Ca 0.21 -0.94 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 3fg0 h THR 95 Cb 0.29 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 3fg0 h THR 95 CO -0.01 0.36 0.22 0.25 0.37 0.00 0.00 175.52 176.72 3fg0 h LEU 96 N 1.06 0.54 0.11 2.58 5.85 -0.83 0.63 115.31 125.26 3fg0 h LEU 96 Ca 0.23 -0.11 -0.29 0.00 0.84 0.00 0.00 57.88 58.55 3fg0 h LEU 96 Cb 0.34 -0.14 0.02 0.00 0.37 0.00 0.00 40.66 41.25 3fg0 h LEU 96 CO -0.00 0.49 -1.26 -0.78 -0.34 0.00 0.00 178.44 176.56 3fg0 h ASP 97 N 0.55 0.63 0.00 1.25 3.58 -1.02 -3.39 116.42 118.01 3fg0 h ASP 97 Ca 0.15 -0.62 0.00 0.00 0.42 0.00 0.00 57.03 56.97 3fg0 h ASP 97 Cb 0.08 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3fg0 h ASP 97 CO -0.02 1.47 -0.60 0.35 -2.88 0.00 0.00 179.24 177.55 3fg0 n THR 98 N -3.66 0.00 0.00 2.25 -2.24 -0.01 -4.57 114.28 106.06 3fg0 n THR 98 Ca -0.11 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3fg0 n THR 98 Cb 1.01 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 70.14 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 1.33 2.94 3.73 3.38 0.00 0.21 -4.74 105.19 112.04 3fg0 n GLY 99 Ca 0.01 0.00 -0.32 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 -0.02 2.02 0.66 1.61 -2.85 -1.26 -4.26 119.74 115.64 3fg0 s LYS 100 Ca 0.00 1.44 -0.17 0.00 -1.00 0.00 0.00 55.97 56.23 3fg0 s LYS 100 Cb 0.00 -1.85 -0.00 0.00 -2.06 0.00 0.00 37.83 33.92 3fg0 s LYS 100 CO 0.00 -1.86 1.27 0.95 0.10 0.00 0.00 175.35 175.81 3fg0 s THR 101 N -2.53 2.14 0.25 3.79 -4.23 -1.26 -4.53 115.64 109.27 3fg0 s THR 101 Ca 0.67 0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 61.21 3fg0 s THR 101 Cb -0.22 -2.96 0.25 0.00 1.34 0.00 0.00 72.50 70.92 3fg0 s THR 101 CO 0.51 -0.02 1.91 0.25 -0.54 0.00 0.00 174.62 176.73 3fg0 h LEU 102 N 0.41 1.08 -1.09 4.79 5.85 -1.42 -0.61 115.31 124.32 3fg0 h LEU 102 Ca -0.50 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 3fg0 h LEU 102 Cb 1.32 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.06 3fg0 h LEU 102 CO 0.53 0.75 0.51 -0.08 -0.34 0.00 0.00 178.44 179.81 3fg0 h GLU 103 N 1.26 1.13 -0.63 1.25 4.57 -1.90 0.21 114.58 120.47 3fg0 h GLU 103 Ca 0.38 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 58.41 3fg0 h GLU 103 Cb -0.03 -0.24 -0.03 0.00 -0.16 0.00 0.00 28.75 28.29 3fg0 h GLU 103 CO -0.11 0.79 0.18 0.93 -1.18 0.00 0.00 179.01 179.61 3fg0 h GLU 104 N 1.15 0.99 -0.64 1.92 5.08 -1.63 -2.13 114.58 119.32 3fg0 h GLU 104 Ca 0.30 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.36 3fg0 h GLU 104 Cb -0.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 3fg0 h GLU 104 CO -0.06 0.89 0.09 0.77 -1.00 0.00 0.00 179.01 179.70 3fg0 h SER 105 N 0.92 1.03 -0.57 1.42 0.02 0.29 -1.18 113.55 115.47 3fg0 h SER 105 Ca 0.20 -0.27 0.02 0.00 -0.84 0.00 0.00 61.79 60.91 3fg0 h SER 105 Cb 0.32 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.55 3fg0 h SER 105 CO -0.00 1.04 0.35 1.88 -1.14 0.00 0.00 176.83 178.96 3fg0 h TYR 106 N 0.98 0.66 -0.62 3.45 0.05 -0.51 -1.21 116.97 119.77 3fg0 h TYR 106 Ca 0.19 0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.05 3fg0 h TYR 106 Cb 0.46 -0.22 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3fg0 h TYR 106 CO 0.03 0.39 0.33 0.00 -1.05 0.00 0.00 178.16 177.86 3fg0 h ALA 107 N 1.25 0.82 -0.27 3.88 0.00 -0.87 -1.00 119.26 123.07 3fg0 h ALA 107 Ca 0.23 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3fg0 h ALA 107 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3fg0 h ALA 107 CO -0.09 -0.01 0.03 -0.44 0.00 0.00 0.00 179.25 178.74 3fg0 h ASP 108 N 0.61 -0.04 -0.58 0.00 5.19 -0.79 -1.20 116.42 119.60 3fg0 h ASP 108 Ca 0.28 0.05 -0.04 0.00 -0.62 0.00 0.00 57.03 56.70 3fg0 h ASP 108 Cb 0.19 0.08 -0.03 0.00 0.18 0.00 0.00 39.33 39.75 3fg0 h ASP 108 CO -0.19 0.01 0.23 0.24 -3.12 0.00 0.00 179.24 176.42 3fg0 h MET 109 N 0.12 0.91 -0.61 3.56 2.86 -0.49 0.27 114.93 121.54 3fg0 h MET 109 Ca 0.12 -0.15 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3fg0 h MET 109 Cb 0.14 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 3fg0 h MET 109 CO -0.19 0.75 0.05 -0.44 1.06 0.00 0.00 176.91 178.15 3fg0 h ASP 110 N 0.89 1.02 -0.53 1.22 3.32 -1.02 -1.52 116.42 119.80 3fg0 h ASP 110 Ca 0.21 -0.28 -0.09 0.00 0.02 0.00 0.00 57.03 56.89 3fg0 h ASP 110 Cb 0.19 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 3fg0 h ASP 110 CO -0.02 1.05 -0.02 -0.78 -1.72 0.00 0.00 179.24 177.75 3fg0 h ASP 111 N 0.95 0.93 -0.54 6.45 3.58 -0.46 -2.21 116.42 125.12 3fg0 h ASP 111 Ca 0.18 -0.32 -0.01 0.00 0.42 0.00 0.00 57.03 57.31 3fg0 h ASP 111 Cb 0.49 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 41.27 3fg0 h ASP 111 CO 0.02 1.02 0.32 0.40 -2.88 0.00 0.00 179.24 178.12 3fg0 h ILE 112 N 0.82 1.17 -0.52 2.25 2.04 -0.33 -0.39 117.51 122.54 3fg0 h ILE 112 Ca 0.15 -0.39 0.06 0.00 1.00 0.00 0.00 64.86 65.67 3fg0 h ILE 112 Cb 0.56 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 3fg0 h ILE 112 CO 0.03 0.17 0.24 -0.74 0.00 0.00 0.00 178.15 177.85 3fg0 h HIS 113 N 0.72 0.43 -0.02 1.37 2.76 -1.15 -2.05 115.15 117.22 3fg0 h HIS 113 Ca 0.19 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.30 3fg0 h HIS 113 Cb 0.00 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 3fg0 h HIS 113 CO -0.02 0.19 -0.40 -0.91 -1.30 0.00 0.00 177.93 175.48 3fg0 h ASN 114 N 0.46 0.04 0.23 3.26 2.35 -0.83 -0.65 115.58 120.44 3fg0 h ASN 114 Ca 0.24 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3fg0 h ASN 114 Cb 0.20 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.56 3fg0 h ASN 114 CO -0.20 0.44 -0.11 0.58 -1.65 0.00 0.00 177.43 176.49 3fg0 h VAL 115 N 0.04 0.84 -0.87 2.81 2.07 -0.71 -0.37 116.25 120.05 3fg0 h VAL 115 Ca 0.00 -0.52 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3fg0 h VAL 115 Cb 0.73 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 3fg0 h VAL 115 CO 0.05 0.11 0.56 -0.26 0.02 0.00 0.00 177.57 178.06 3fg0 h PHE 116 N -0.58 1.05 -0.55 1.57 0.04 -1.24 -2.19 116.94 115.05 3fg0 h PHE 116 Ca -0.03 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.69 3fg0 h PHE 116 Cb 0.42 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3fg0 h PHE 116 CO 0.01 0.60 0.04 1.98 -0.60 0.00 0.00 178.31 180.34 3fg0 h MET 117 N 1.08 0.90 0.13 1.51 4.05 -1.01 0.14 114.93 121.73 3fg0 h MET 117 Ca 0.35 -0.24 -0.01 0.00 -0.28 0.00 0.00 59.70 59.53 3fg0 h MET 117 Cb 0.03 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 3fg0 h MET 117 CO -0.12 0.87 -0.06 -0.92 0.23 0.00 0.00 176.91 176.91 3fg0 h TYR 118 N 0.84 -0.16 0.00 1.39 3.20 -0.80 -1.90 116.97 119.54 3fg0 h TYR 118 Ca 0.17 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.92 3fg0 h TYR 118 Cb 0.44 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.75 3fg0 h TYR 118 CO 0.03 0.02 -0.54 0.74 -1.64 0.00 0.00 178.16 176.77 3fg0 h PHE 119 N -0.31 0.00 -0.52 -3.82 0.04 -1.31 -1.11 116.94 109.92 3fg0 h PHE 119 Ca -0.02 0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 3fg0 h PHE 119 Cb 0.25 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3fg0 h PHE 119 CO -0.02 0.54 0.31 0.00 -0.60 0.00 0.00 178.31 178.54 3fg0 h ALA 120 N 1.46 0.66 0.00 2.45 0.00 -0.83 -1.94 119.26 121.06 3fg0 h ALA 120 Ca -0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 120 Cb 0.96 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3fg0 h ALA 120 CO 0.07 0.02 -0.29 0.78 0.00 0.00 0.00 179.25 179.83 3fg0 h GLY 121 N 0.62 0.00 1.44 0.00 0.00 -0.66 -3.14 103.07 101.34 3fg0 h GLY 121 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 3fg0 h GLY 121 CO -0.09 0.00 -0.59 -2.00 0.00 0.00 0.00 176.54 173.86 3fg0 h LEU 122 N 0.00 0.00 -0.90 3.11 5.85 -0.81 -3.41 115.31 119.16 3fg0 h LEU 122 Ca -0.00 0.00 0.19 0.00 0.84 0.00 0.00 57.88 58.91 3fg0 h LEU 122 Cb 0.66 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 3fg0 h LEU 122 CO 0.04 0.05 0.45 0.00 -0.34 0.00 0.00 178.44 178.63 3fg0 h ALA 123 N 1.95 1.43 -0.43 1.25 0.00 -1.31 -1.82 119.26 120.34 3fg0 h ALA 123 Ca -0.01 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 3fg0 h ALA 123 Cb 1.04 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.83 3fg0 h ALA 123 CO 0.00 -0.21 0.06 -0.40 0.00 0.00 0.00 179.25 178.70 3fg0 n ASP 124 N -4.94 4.04 -0.34 0.00 5.75 -1.26 -4.62 116.55 115.19 3fg0 n ASP 124 Ca 0.21 -3.20 0.12 0.00 -0.01 0.00 0.00 54.79 51.90 3fg0 n ASP 124 Cb 0.57 -0.63 0.13 0.00 -1.03 0.00 0.00 41.12 40.17 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 -0.44 0.92 -3.16 0.11 4.76 -0.68 -4.84 118.16 114.82 3fg0 n LYS 125 Ca 0.29 -0.69 0.03 0.00 -2.87 0.00 0.00 58.31 55.07 3fg0 n LYS 125 Cb 1.07 -1.49 -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 -2.56 -1.50 0.00 4.39 2.15 -1.26 -5.01 116.67 112.88 3fg0 s ASP 126 Ca 0.19 0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.59 3fg0 s ASP 126 Cb 0.18 1.98 0.61 0.00 -0.30 0.00 0.00 42.92 45.39 3fg0 s ASP 126 CO 0.59 -0.30 1.50 0.61 -0.17 0.00 0.00 175.17 177.39 3fg0 n GLY 127 N 5.42 0.54 0.00 2.66 0.00 -1.26 -4.89 105.19 107.65 3fg0 n GLY 127 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.27 0.82 2.98 -0.02 0.00 -1.26 -1.37 105.19 107.61 3fg0 n GLY 128 Ca 0.16 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 3fg0 n GLY 128 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fg0 s GLU 129 N -1.33 0.28 -0.11 1.61 2.12 0.23 -4.98 118.70 116.53 3fg0 s GLU 129 Ca 0.00 -0.48 -0.14 0.00 0.36 0.00 0.00 54.97 54.71 3fg0 s GLU 129 Cb 0.00 0.10 -0.05 0.00 0.26 0.00 0.00 34.13 34.44 3fg0 s GLU 129 CO 0.00 -0.05 0.33 -1.64 -0.54 0.00 0.00 175.26 173.37 3fg0 s MET 130 N -1.19 4.09 -0.02 4.30 -1.94 -1.26 -0.50 119.30 122.78 3fg0 s MET 130 Ca -0.13 0.21 0.00 0.00 -1.71 0.00 0.00 55.69 54.06 3fg0 s MET 130 Cb -0.08 -3.35 -0.04 0.00 2.01 0.00 0.00 34.83 33.38 3fg0 s MET 130 CO -0.01 0.41 0.03 0.42 -0.01 0.00 0.00 175.02 175.86 3fg0 s ILE 131 N -0.09 4.39 -0.84 2.53 -1.09 0.15 -4.97 121.20 121.29 3fg0 s ILE 131 Ca 0.20 -0.47 -0.23 0.00 -2.23 0.00 0.00 60.65 57.91 3fg0 s ILE 131 Cb -0.14 -2.96 0.07 0.00 -1.58 0.00 0.00 42.46 37.85 3fg0 s ILE 131 CO 0.07 0.40 1.21 -1.81 -1.23 0.00 0.00 174.94 173.59 3fg0 s ASP 132 N -1.52 6.36 0.28 3.58 1.01 -1.26 -4.35 116.67 120.77 3fg0 s ASP 132 Ca 0.20 -1.20 -0.29 0.00 0.71 0.00 0.00 52.55 51.96 3fg0 s ASP 132 Cb -0.12 -2.49 -0.10 0.00 1.01 0.00 0.00 42.92 41.22 3fg0 s ASP 132 CO 0.10 -1.48 1.35 -0.55 0.21 0.00 0.00 175.17 174.80 3fg0 s SER 133 N 4.04 6.76 0.00 0.27 0.15 -1.26 -4.91 113.70 118.75 3fg0 s SER 133 Ca 0.34 2.62 0.31 0.00 0.70 0.00 0.00 55.95 59.92 3fg0 s SER 133 Cb -0.07 -2.63 1.64 0.00 -1.71 0.00 0.00 66.02 63.24 3fg0 s SER 133 CO 0.02 -0.58 2.09 -0.81 1.20 0.00 0.00 173.24 175.16 3fg0 n PRO 134 N 1.63 0.89 -3.67 5.44 -0.04 -1.26 -4.72 135.00 133.27 3fg0 n PRO 134 Ca 0.03 -0.13 -0.38 0.00 -0.04 0.00 0.00 63.50 62.99 3fg0 n PRO 134 Cb 0.41 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.26 3fg0 n PRO 134 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3fg0 s ILE 135 N -2.19 4.70 0.60 0.52 1.01 -1.26 -5.08 121.20 119.50 3fg0 s ILE 135 Ca 0.40 -0.16 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 3fg0 s ILE 135 Cb 0.21 -3.28 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 3fg0 s ILE 135 CO 0.40 0.22 1.10 -2.65 0.00 0.00 0.00 174.94 174.01 3fg0 n PRO 136 N 4.98 1.05 -3.65 2.79 -0.02 -1.26 -2.98 135.00 135.91 3fg0 n PRO 136 Ca -0.15 0.40 -0.22 0.00 -2.02 0.00 0.00 63.50 61.51 3fg0 n PRO 136 Cb 0.51 -2.31 0.05 0.00 -0.02 0.00 0.00 33.50 31.74 3fg0 n PRO 136 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fg0 n ASP 137 N -1.07 -2.85 -4.02 2.55 8.00 -1.26 -4.95 116.55 112.95 3fg0 n ASP 137 Ca 0.14 -0.72 -0.10 0.00 0.71 0.00 0.00 54.79 54.82 3fg0 n ASP 137 Cb 0.47 -4.45 -0.11 0.00 -0.02 0.00 0.00 41.12 37.01 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 -3.47 0.24 -0.12 -3.53 -4.23 -1.16 -1.07 115.64 102.31 3fg0 s THR 138 Ca 0.21 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 3fg0 s THR 138 Cb -0.10 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.17 3fg0 s THR 138 CO 0.78 -0.55 -0.15 -0.70 -0.54 0.00 0.00 174.62 173.47 3fg0 s GLU 139 N -1.88 3.24 -0.10 3.99 2.12 0.07 -4.84 118.70 121.29 3fg0 s GLU 139 Ca -0.11 -0.71 0.02 0.00 0.36 0.00 0.00 54.97 54.53 3fg0 s GLU 139 Cb -0.07 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.77 3fg0 s GLU 139 CO -0.02 0.26 -0.14 0.45 -0.54 0.00 0.00 175.26 175.27 3fg0 s SER 140 N 0.22 2.35 0.03 -1.70 0.15 -1.26 -0.74 113.70 112.75 3fg0 s SER 140 Ca -0.09 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.16 3fg0 s SER 140 Cb -0.15 -1.05 -0.03 0.00 -1.71 0.00 0.00 66.02 63.08 3fg0 s SER 140 CO 0.05 0.01 -0.04 -1.59 1.20 0.00 0.00 173.24 172.87 3fg0 s LYS 141 N 1.01 0.44 -0.22 5.44 -2.85 -0.68 -0.67 119.74 122.22 3fg0 s LYS 141 Ca -0.06 -0.80 -0.02 0.00 -1.00 0.00 0.00 55.97 54.08 3fg0 s LYS 141 Cb -0.15 0.04 0.01 0.00 -2.06 0.00 0.00 37.83 35.67 3fg0 s LYS 141 CO -0.02 -0.04 -0.09 0.42 0.10 0.00 0.00 175.35 175.72 3fg0 s ILE 142 N -2.07 2.90 -0.12 3.79 -1.09 0.34 -0.66 121.20 124.30 3fg0 s ILE 142 Ca -0.09 -0.75 -0.04 0.00 -2.23 0.00 0.00 60.65 57.54 3fg0 s ILE 142 Cb -0.05 -2.34 -0.03 0.00 -1.58 0.00 0.00 42.46 38.45 3fg0 s ILE 142 CO -0.03 0.39 0.03 -0.69 -1.23 0.00 0.00 174.94 173.41 3fg0 s VAL 143 N 1.39 4.51 -0.22 2.92 1.01 0.30 -0.60 120.40 129.71 3fg0 s VAL 143 Ca 0.04 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 3fg0 s VAL 143 Cb -0.15 -2.95 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3fg0 s VAL 143 CO -0.06 0.56 0.24 -0.54 0.00 0.00 0.00 175.10 175.29 3fg0 s LYS 144 N -0.45 4.13 0.20 2.72 -0.14 -0.47 -0.82 119.74 124.91 3fg0 s LYS 144 Ca 0.09 -0.10 0.11 0.00 -1.36 0.00 0.00 55.97 54.71 3fg0 s LYS 144 Cb -0.12 -3.52 -0.04 0.00 -1.68 0.00 0.00 37.83 32.47 3fg0 s LYS 144 CO 0.02 0.07 -0.23 -1.21 -0.76 0.00 0.00 175.35 173.23 3fg0 s GLU 145 N 1.03 1.54 0.42 1.68 2.02 0.38 -4.88 118.70 120.89 3fg0 s GLU 145 Ca 0.12 -1.55 -0.26 0.00 0.02 0.00 0.00 54.97 53.30 3fg0 s GLU 145 Cb -0.14 -1.84 -0.10 0.00 0.10 0.00 0.00 34.13 32.16 3fg0 s GLU 145 CO 0.05 0.39 1.32 -0.35 0.02 0.00 0.00 175.26 176.69 3fg0 n PRO 146 N 0.17 2.05 0.10 0.39 -0.04 -1.26 0.12 135.00 136.55 3fg0 n PRO 146 Ca -0.12 0.73 0.04 0.00 -0.04 0.00 0.00 63.50 64.12 3fg0 n PRO 146 Cb 0.56 -2.45 0.47 0.00 -0.04 0.00 0.00 33.50 32.04 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 2.20 1.10 0.00 0.52 3.04 -1.34 -3.41 116.25 118.35 3fg0 h VAL 147 Ca -0.49 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 3fg0 h VAL 147 Cb 1.29 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 31.41 3fg0 h VAL 147 CO 0.60 0.12 0.00 0.61 -1.01 0.00 0.00 177.57 177.89 3fg0 n GLY 148 N -1.31 0.44 3.70 3.17 0.00 -1.26 -4.85 105.19 105.08 3fg0 n GLY 148 Ca 0.00 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 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 5.12 -0.02 1.61 1.01 -1.26 -2.52 120.40 124.34 3fg0 s VAL 149 Ca 0.00 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.13 3fg0 s VAL 149 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 3fg0 s VAL 149 CO 0.00 0.25 -0.21 0.68 0.00 0.00 0.00 175.10 175.82 3fg0 s VAL 150 N 1.02 1.68 -0.05 2.92 -7.23 -0.29 -0.13 120.40 118.32 3fg0 s VAL 150 Ca 0.28 -0.90 0.01 0.00 -1.81 0.00 0.00 61.98 59.57 3fg0 s VAL 150 Cb -0.16 -1.41 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 3fg0 s VAL 150 CO 0.12 0.48 -0.06 0.42 -0.31 0.00 0.00 175.10 175.74 3fg0 s THR 151 N -0.40 3.73 -0.04 5.32 -4.23 -0.39 -1.11 115.64 118.51 3fg0 s THR 151 Ca 0.06 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.02 3fg0 s THR 151 Cb -0.09 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.22 3fg0 s THR 151 CO -0.00 0.54 -0.02 -1.10 -0.54 0.00 0.00 174.62 173.51 3fg0 s GLN 152 N -0.98 0.56 -0.09 3.99 -0.21 -0.03 -0.70 119.66 122.21 3fg0 s GLN 152 Ca 0.14 0.02 0.01 0.00 0.02 0.00 0.00 55.36 55.54 3fg0 s GLN 152 Cb -0.11 -0.72 0.02 0.00 1.00 0.00 0.00 33.01 33.20 3fg0 s GLN 152 CO 0.03 -0.15 -0.10 0.42 -2.12 0.00 0.00 175.29 173.37 3fg0 s ILE 153 N 1.19 1.07 0.31 1.08 1.01 -0.56 -0.67 121.20 124.64 3fg0 s ILE 153 Ca -0.07 -0.38 0.11 0.00 0.00 0.00 0.00 60.65 60.31 3fg0 s ILE 153 Cb -0.14 -1.04 -0.06 0.00 0.01 0.00 0.00 42.46 41.24 3fg0 s ILE 153 CO -0.02 0.36 -0.14 0.42 0.00 0.00 0.00 174.94 175.56 3fg0 s THR 154 N 1.20 2.34 0.54 2.92 -4.23 -1.10 -1.85 115.64 115.47 3fg0 s THR 154 Ca -0.04 -2.30 0.09 0.00 -1.18 0.00 0.00 61.69 58.25 3fg0 s THR 154 Cb -0.14 -2.47 0.09 0.00 1.34 0.00 0.00 72.50 71.31 3fg0 s THR 154 CO -0.03 -0.30 0.71 -0.81 -0.54 0.00 0.00 174.62 173.66 3fg0 n PRO 155 N -0.70 0.64 0.00 3.99 -0.04 -1.21 -2.47 135.00 135.21 3fg0 n PRO 155 Ca -0.05 -2.97 0.13 0.00 -0.04 0.00 0.00 63.50 60.57 3fg0 n PRO 155 Cb 0.62 -0.16 0.38 0.00 -0.04 0.00 0.00 33.50 34.30 3fg0 n PRO 155 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3fg0 n TRP 156 N -2.14 0.00 0.04 0.54 4.27 -1.26 -4.06 117.44 114.83 3fg0 n TRP 156 Ca 0.14 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.54 3fg0 n TRP 156 Cb 0.57 -0.20 -0.14 0.00 -1.36 0.00 0.00 31.31 30.18 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 0.61 0.45 -2.12 -0.67 -1.07 -1.97 -3.40 115.58 107.42 3fg0 h ASN 157 Ca 0.00 -0.90 -0.58 0.00 0.07 0.00 0.00 56.30 54.89 3fg0 h ASN 157 Cb 0.48 -0.15 -0.40 0.00 -2.07 0.00 0.00 38.32 36.18 3fg0 h ASN 157 CO 0.00 1.52 -0.89 -1.22 0.07 0.00 0.00 177.43 176.91 3fg0 n TYR 158 N -4.01 1.26 0.13 4.14 4.02 -1.26 -5.01 117.16 116.44 3fg0 n TYR 158 Ca -0.19 -3.80 -0.13 0.00 -0.01 0.00 0.00 57.90 53.76 3fg0 n TYR 158 Cb 0.88 -0.41 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 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 4.17 -0.49 -0.06 -0.72 0.11 -1.78 -0.04 132.00 133.19 3fg0 h PRO 159 Ca 0.13 0.03 -0.18 0.00 0.11 0.00 0.00 66.00 66.10 3fg0 h PRO 159 Cb 0.79 0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.01 3fg0 h PRO 159 CO 0.61 -0.33 -0.73 1.25 -0.21 0.00 0.00 178.00 178.59 3fg0 h LEU 160 N -0.51 0.38 0.33 2.35 5.85 -1.92 -1.72 115.31 120.07 3fg0 h LEU 160 Ca 0.02 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3fg0 h LEU 160 Cb 0.52 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3fg0 h LEU 160 CO -0.14 0.98 -0.16 0.25 -0.34 0.00 0.00 178.44 179.04 3fg0 h LEU 161 N 0.21 -0.38 -1.54 2.25 5.85 -1.85 0.03 115.31 119.89 3fg0 h LEU 161 Ca -0.03 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3fg0 h LEU 161 Cb 1.30 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 3fg0 h LEU 161 CO 0.12 -0.27 -0.02 1.56 -0.34 0.00 0.00 178.44 179.49 3fg0 h GLN 162 N -0.44 0.27 -0.47 1.25 4.20 -1.01 -1.93 115.11 116.97 3fg0 h GLN 162 Ca -0.05 -0.04 -0.08 0.00 0.06 0.00 0.00 58.65 58.54 3fg0 h GLN 162 Cb 0.34 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 3fg0 h GLN 162 CO 0.07 0.31 -0.03 0.00 -0.67 0.00 0.00 178.83 178.52 3fg0 h ALA 163 N 1.72 0.64 -0.56 3.87 0.00 -0.97 -3.17 119.26 120.79 3fg0 h ALA 163 Ca 0.06 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3fg0 h ALA 163 Cb 0.22 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3fg0 h ALA 163 CO 0.01 0.46 0.13 0.66 0.00 0.00 0.00 179.25 180.52 3fg0 h SER 164 N 0.70 0.81 0.01 0.00 4.64 -0.24 0.10 113.55 119.57 3fg0 h SER 164 Ca 0.13 -0.15 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3fg0 h SER 164 Cb 0.55 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 62.43 3fg0 h SER 164 CO 0.03 0.79 -0.01 -0.50 -0.87 0.00 0.00 176.83 176.27 3fg0 h TRP 165 N 0.83 0.00 0.02 4.77 4.06 -1.41 -1.84 115.95 122.38 3fg0 h TRP 165 Ca 0.18 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.73 3fg0 h TRP 165 Cb 0.30 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 3fg0 h TRP 165 CO 0.02 0.01 -2.31 1.63 -3.56 0.00 0.00 178.44 174.23 3fg0 n LYS 166 N -4.21 0.63 -0.12 0.49 5.02 -0.90 -4.50 118.16 114.56 3fg0 n LYS 166 Ca -0.03 0.25 -0.10 0.00 -2.02 0.00 0.00 58.31 56.42 3fg0 n LYS 166 Cb 0.09 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.53 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 -0.47 1.21 0.16 -0.18 2.04 -0.80 -2.86 117.51 116.61 3fg0 h ILE 167 Ca -0.58 -0.66 0.01 0.00 1.00 0.00 0.00 64.86 64.62 3fg0 h ILE 167 Cb 1.75 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.76 3fg0 h ILE 167 CO -0.21 0.23 -0.18 0.00 0.00 0.00 0.00 178.15 177.99 3fg0 h ALA 168 N 0.96 -0.35 -0.17 1.87 0.00 -1.56 -1.24 119.26 118.78 3fg0 h ALA 168 Ca 0.12 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 168 Cb 0.24 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fg0 h ALA 168 CO -0.01 -0.72 -0.42 -1.00 0.00 0.00 0.00 179.25 177.10 3fg0 h PRO 169 N -0.38 0.40 -0.20 0.00 0.13 -1.79 -0.73 132.00 129.42 3fg0 h PRO 169 Ca 0.01 -0.20 0.02 0.00 -0.87 0.00 0.00 66.00 64.96 3fg0 h PRO 169 Cb 0.37 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 3fg0 h PRO 169 CO -0.06 0.75 0.06 0.00 -0.23 0.00 0.00 178.00 178.52 3fg0 h ALA 170 N 1.23 0.22 -0.39 -0.56 0.00 -1.25 -1.39 119.26 117.11 3fg0 h ALA 170 Ca 0.03 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3fg0 h ALA 170 Cb 0.88 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 3fg0 h ALA 170 CO 0.07 -0.37 -0.37 -0.07 0.00 0.00 0.00 179.25 178.51 3fg0 h LEU 171 N 0.15 0.99 -1.20 0.00 3.38 -1.16 -0.77 115.31 116.70 3fg0 h LEU 171 Ca 0.09 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.64 3fg0 h LEU 171 Cb 0.07 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.50 3fg0 h LEU 171 CO -0.10 1.24 0.55 0.00 0.09 0.00 0.00 178.44 180.22 3fg0 h ALA 172 N 0.80 1.47 0.00 1.53 0.00 -0.87 -2.68 119.26 119.51 3fg0 h ALA 172 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3fg0 h ALA 172 Cb 0.96 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fg0 h ALA 172 CO 0.09 0.46 -0.44 0.25 0.00 0.00 0.00 179.25 179.61 3fg0 n THR 173 N -4.44 0.41 0.00 0.00 -2.24 -0.55 -4.74 114.28 102.73 3fg0 n THR 173 Ca 0.11 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 3fg0 n THR 173 Cb 0.09 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 1.34 1.12 3.78 3.38 0.00 -1.01 -3.98 105.19 109.81 3fg0 n GLY 174 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3fg0 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s SER 176 N -3.68 5.43 0.06 0.00 0.01 -1.05 -4.64 113.70 109.84 3fg0 s SER 176 Ca 0.61 0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.97 3fg0 s SER 176 Cb -0.16 -1.50 -0.03 0.00 0.21 0.00 0.00 66.02 64.54 3fg0 s SER 176 CO 0.55 0.28 -0.08 -1.48 0.41 0.00 0.00 173.24 172.92 3fg0 s LEU 177 N -1.66 2.35 -0.12 2.44 0.05 0.70 -1.14 118.68 121.31 3fg0 s LEU 177 Ca 0.21 -0.72 -0.00 0.00 0.05 0.00 0.00 54.13 53.67 3fg0 s LEU 177 Cb -0.12 -0.14 0.02 0.00 -2.05 0.00 0.00 46.19 43.91 3fg0 s LEU 177 CO 0.12 -0.30 -0.08 -0.69 -0.55 0.00 0.00 176.35 174.85 3fg0 s VAL 178 N -2.22 1.07 -0.09 1.48 1.01 -0.27 -1.65 120.40 119.74 3fg0 s VAL 178 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 61.65 3fg0 s VAL 178 Cb -0.04 -1.08 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3fg0 s VAL 178 CO -0.01 0.37 -0.10 -0.32 0.00 0.00 0.00 175.10 175.03 3fg0 s MET 179 N 1.69 2.97 -0.20 2.72 0.00 -0.16 -0.85 119.30 125.48 3fg0 s MET 179 Ca 0.05 -0.62 -0.02 0.00 0.00 0.00 0.00 55.69 55.09 3fg0 s MET 179 Cb -0.13 -2.58 0.06 0.00 0.00 0.00 0.00 34.83 32.18 3fg0 s MET 179 CO -0.08 0.48 0.03 0.21 0.00 0.00 0.00 175.02 175.65 3fg0 s LYS 180 N -0.32 0.77 0.88 4.11 2.20 0.16 -0.84 119.74 126.70 3fg0 s LYS 180 Ca 0.04 -0.50 -0.13 0.00 -0.36 0.00 0.00 55.97 55.02 3fg0 s LYS 180 Cb -0.13 -2.17 0.12 0.00 -1.51 0.00 0.00 37.83 34.14 3fg0 s LYS 180 CO 0.02 -0.64 1.17 -1.25 -0.36 0.00 0.00 175.35 174.29 3fg0 s PRO 181 N 1.80 1.41 0.27 4.03 0.04 -1.26 -2.70 135.00 138.60 3fg0 s PRO 181 Ca -0.01 0.15 -0.30 0.00 0.04 0.00 0.00 61.00 60.88 3fg0 s PRO 181 Cb -0.17 -1.88 -0.13 0.00 0.04 0.00 0.00 34.50 32.35 3fg0 s PRO 181 CO -0.08 -1.98 1.34 0.45 0.04 0.00 0.00 177.00 176.77 3fg0 n SER 182 N -3.59 2.66 0.28 6.66 2.88 -1.03 -4.69 113.62 116.79 3fg0 n SER 182 Ca 0.08 1.16 0.14 0.00 -1.33 0.00 0.00 58.87 58.92 3fg0 n SER 182 Cb 0.60 -1.44 0.80 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.01 -1.46 9.09 -1.90 -2.34 114.58 121.51 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 0.07 -0.38 0.44 0.05 0.00 0.00 179.01 179.90 3fg0 n ILE 184 N -3.73 0.00 -3.15 -1.06 -5.35 -1.26 -4.51 119.36 100.31 3fg0 n ILE 184 Ca -0.02 -0.08 -0.19 0.00 -0.27 0.00 0.00 62.75 62.18 3fg0 n ILE 184 Cb 0.17 0.41 -0.03 0.00 -1.74 0.00 0.00 39.64 38.45 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 -0.95 -0.30 1.27 7.28 -2.24 -0.88 -4.61 114.28 113.84 3fg0 n THR 185 Ca 0.09 -4.13 0.13 0.00 -2.27 0.00 0.00 64.05 57.88 3fg0 n THR 185 Cb 0.35 -0.58 0.37 0.00 -2.10 0.00 0.00 70.33 68.37 3fg0 n THR 185 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fg0 n PRO 186 N 0.65 1.10 0.34 -0.78 -0.04 -1.23 -4.55 135.00 130.50 3fg0 n PRO 186 Ca 0.22 -0.69 -0.17 0.00 -0.04 0.00 0.00 63.50 62.82 3fg0 n PRO 186 Cb 0.62 -1.49 -0.09 0.00 -0.04 0.00 0.00 33.50 32.51 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 1.68 -0.70 -1.71 1.53 3.38 -1.93 -1.00 115.31 116.55 3fg0 h LEU 187 Ca 0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3fg0 h LEU 187 Cb 0.54 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3fg0 h LEU 187 CO 0.00 -0.49 -0.17 0.71 0.09 0.00 0.00 178.44 178.59 3fg0 h THR 188 N -0.86 0.69 -0.13 0.22 1.35 -1.88 -1.81 112.91 110.50 3fg0 h THR 188 Ca -0.09 -0.70 -0.20 0.00 -0.55 0.00 0.00 66.41 64.87 3fg0 h THR 188 Cb 0.65 1.44 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3fg0 h THR 188 CO 0.14 0.16 -0.70 0.74 -0.25 0.00 0.00 175.52 175.62 3fg0 h THR 189 N 0.00 1.30 -0.53 6.82 2.02 -1.79 -0.05 112.91 120.68 3fg0 h THR 189 Ca -0.00 -1.93 0.00 0.00 0.77 0.00 0.00 66.41 65.25 3fg0 h THR 189 Cb 0.42 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 3fg0 h THR 189 CO 0.02 0.60 0.34 0.40 0.37 0.00 0.00 175.52 177.26 3fg0 h ILE 190 N 0.40 1.15 -0.49 3.11 2.04 -0.92 -2.02 117.51 120.78 3fg0 h ILE 190 Ca -0.05 -0.29 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3fg0 h ILE 190 Cb 1.34 0.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3fg0 h ILE 190 CO 0.14 0.14 0.31 -0.09 0.00 0.00 0.00 178.15 178.66 3fg0 h ARG 191 N 0.72 0.66 0.00 2.37 9.65 -1.16 -1.91 114.38 124.71 3fg0 h ARG 191 Ca 0.19 -0.05 -0.06 0.00 -1.10 0.00 0.00 59.98 58.97 3fg0 h ARG 191 Cb -0.06 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 28.37 3fg0 h ARG 191 CO -0.04 0.45 -0.27 -0.24 2.80 0.00 0.00 179.97 182.68 3fg0 h VAL 192 N 0.66 1.10 -0.44 0.20 3.04 -0.78 -1.42 116.25 118.61 3fg0 h VAL 192 Ca 0.18 -0.94 -0.14 0.00 -1.01 0.00 0.00 66.70 64.79 3fg0 h VAL 192 Cb -0.05 1.52 -0.01 0.00 -2.01 0.00 0.00 31.29 30.74 3fg0 h VAL 192 CO -0.04 0.26 -0.28 -0.26 -1.01 0.00 0.00 177.57 176.25 3fg0 h PHE 193 N 0.00 1.12 -0.91 3.17 -1.00 -0.86 0.12 116.94 118.58 3fg0 h PHE 193 Ca -0.00 -0.30 0.03 0.00 2.81 0.00 0.00 57.97 60.50 3fg0 h PHE 193 Cb 0.50 -0.25 -0.05 0.00 3.61 0.00 0.00 35.95 39.76 3fg0 h PHE 193 CO 0.00 1.12 0.60 0.93 -1.61 0.00 0.00 178.31 179.35 3fg0 h GLU 194 N 0.80 1.15 -0.30 1.51 5.08 -0.58 0.00 114.58 122.24 3fg0 h GLU 194 Ca 0.09 -0.07 -0.16 0.00 -1.00 0.00 0.00 59.36 58.22 3fg0 h GLU 194 Cb 0.86 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3fg0 h GLU 194 CO 0.08 0.76 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.32 3fg0 h LEU 195 N 1.18 0.84 -0.61 1.33 3.38 -0.84 -2.25 115.31 118.34 3fg0 h LEU 195 Ca 0.35 -0.41 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3fg0 h LEU 195 Cb -0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 3fg0 h LEU 195 CO -0.10 1.16 -0.03 0.24 0.09 0.00 0.00 178.44 179.79 3fg0 h MET 196 N 0.62 1.07 -0.82 1.13 2.86 -0.44 -2.34 114.93 117.00 3fg0 h MET 196 Ca 0.04 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.36 3fg0 h MET 196 Cb 1.02 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.54 3fg0 h MET 196 CO 0.10 1.06 0.52 1.49 1.06 0.00 0.00 176.91 181.14 3fg0 h GLU 197 N 0.96 0.97 -0.93 1.72 4.81 -0.86 -1.22 114.58 120.04 3fg0 h GLU 197 Ca 0.16 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 3fg0 h GLU 197 Cb 0.60 -0.22 -0.05 0.00 0.63 0.00 0.00 28.75 29.71 3fg0 h GLU 197 CO 0.04 0.64 0.61 0.93 -0.73 0.00 0.00 179.01 180.50 3fg0 h GLU 198 N 1.00 1.17 -0.47 1.92 5.08 -1.04 -2.40 114.58 119.85 3fg0 h GLU 198 Ca 0.34 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.61 3fg0 h GLU 198 Cb 0.04 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3fg0 h GLU 198 CO -0.13 0.77 0.22 0.28 -1.00 0.00 0.00 179.01 179.16 3fg0 h VAL 199 N 1.21 1.19 0.00 3.13 2.07 -0.79 -3.49 116.25 119.57 3fg0 h VAL 199 Ca 0.36 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3fg0 h VAL 199 Cb -0.05 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 3fg0 h VAL 199 CO -0.11 0.21 0.00 0.61 0.02 0.00 0.00 177.57 178.30 3fg0 n GLY 200 N -0.89 1.12 3.11 2.17 0.00 -0.55 -5.12 105.19 105.03 3fg0 n GLY 200 Ca 0.01 -1.08 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 3fg0 n GLY 200 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fg0 s PHE 201 N 0.00 0.78 0.55 1.61 0.08 -1.26 -5.05 117.98 114.69 3fg0 s PHE 201 Ca 0.00 -0.69 -0.22 0.00 0.12 0.00 0.00 56.93 56.14 3fg0 s PHE 201 Cb 0.00 -0.46 -0.05 0.00 -0.57 0.00 0.00 43.02 41.95 3fg0 s PHE 201 CO 0.00 -0.11 1.36 -2.30 -0.10 0.00 0.00 175.22 174.07 3fg0 n PRO 202 N 0.77 1.69 -1.63 0.24 -0.02 -1.26 -4.86 135.00 129.93 3fg0 n PRO 202 Ca -0.18 0.62 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 3fg0 n PRO 202 Cb 0.57 -2.58 -0.05 0.00 -0.02 0.00 0.00 33.50 31.42 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 -1.05 1.54 0.00 -0.52 4.81 -1.26 -1.44 118.16 120.24 3fg0 n LYS 203 Ca 0.11 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 3fg0 n LYS 203 Cb 0.45 -2.26 0.00 0.00 0.02 0.00 0.00 35.03 33.24 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 3.13 2.50 0.27 3.14 0.00 -1.26 -4.64 105.19 108.34 3fg0 n GLY 204 Ca 0.19 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.15 3fg0 n GLY 204 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fg0 h THR 205 N 0.00 1.20 -4.26 2.61 2.02 -1.54 -3.30 112.91 109.64 3fg0 h THR 205 Ca 0.00 -0.49 -0.62 0.00 0.77 0.00 0.00 66.41 66.07 3fg0 h THR 205 Cb 0.00 0.32 -0.30 0.00 -1.74 0.00 0.00 68.15 66.43 3fg0 h THR 205 CO 0.00 0.22 -0.86 0.27 0.37 0.00 0.00 175.52 175.52 3fg0 s ILE 206 N -5.89 1.69 -0.04 3.11 -4.36 -1.26 -0.21 121.20 114.23 3fg0 s ILE 206 Ca -0.13 -0.90 -0.06 0.00 -0.26 0.00 0.00 60.65 59.31 3fg0 s ILE 206 Cb 0.14 -1.42 0.01 0.00 1.25 0.00 0.00 42.46 42.44 3fg0 s ILE 206 CO 0.78 0.48 0.15 0.20 0.24 0.00 0.00 174.94 176.79 3fg0 s ASN 207 N -0.33 -0.12 -0.16 4.36 0.01 -0.66 -4.55 114.94 113.50 3fg0 s ASN 207 Ca 0.04 0.20 0.01 0.00 -0.71 0.00 0.00 52.86 52.39 3fg0 s ASN 207 Cb -0.10 0.29 0.02 0.00 0.41 0.00 0.00 41.25 41.87 3fg0 s ASN 207 CO 0.01 -0.12 -0.17 -0.22 -1.51 0.00 0.00 177.10 175.08 3fg0 s LEU 208 N -0.22 1.93 -0.10 0.60 2.96 0.14 -0.99 118.68 123.00 3fg0 s LEU 208 Ca -0.03 -0.57 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3fg0 s LEU 208 Cb -0.02 -1.34 -0.03 0.00 0.50 0.00 0.00 46.19 45.30 3fg0 s LEU 208 CO 0.00 -0.02 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.34 3fg0 s ILE 209 N 1.34 3.88 -0.07 6.68 -1.09 -0.02 -1.06 121.20 130.86 3fg0 s ILE 209 Ca 0.04 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 58.10 3fg0 s ILE 209 Cb -0.13 -2.63 -0.01 0.00 -1.58 0.00 0.00 42.46 38.11 3fg0 s ILE 209 CO -0.11 0.57 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.21 3fg0 s LEU 210 N -0.48 2.38 0.00 2.97 1.43 -1.26 -4.05 118.68 119.66 3fg0 s LEU 210 Ca 0.08 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3fg0 s LEU 210 Cb -0.12 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3fg0 s LEU 210 CO 0.02 0.25 0.00 0.61 0.23 0.00 0.00 176.35 177.46 3fg0 n GLY 211 N 2.95 1.68 3.77 -3.19 0.00 -1.26 0.62 105.19 109.76 3fg0 n GLY 211 Ca -0.18 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 3fg0 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 212 N -1.93 3.53 0.33 4.61 0.00 -1.26 -4.32 121.76 122.71 3fg0 s ALA 212 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3fg0 s ALA 212 Cb 0.00 -3.52 0.57 0.00 0.00 0.00 0.00 23.12 20.17 3fg0 s ALA 212 CO 0.00 -0.74 1.97 0.78 0.00 0.00 0.00 175.76 177.77 3fg0 h GLY 213 N 3.46 1.07 2.00 0.00 0.00 -1.96 -1.97 103.07 105.67 3fg0 h GLY 213 Ca -0.49 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.46 3fg0 h GLY 213 CO 0.66 0.34 0.00 1.48 0.00 0.00 0.00 176.54 179.02 3fg0 h SER 214 N 0.96 0.00 0.01 0.19 4.64 -1.99 0.21 113.55 117.57 3fg0 h SER 214 Ca 0.30 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 61.21 3fg0 h SER 214 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.03 3fg0 h SER 214 CO -0.08 0.00 -2.44 1.21 -0.87 0.00 0.00 176.83 174.65 3fg0 n GLU 215 N -2.97 0.63 0.00 4.77 2.13 -0.79 -4.75 120.64 119.66 3fg0 n GLU 215 Ca -0.01 0.21 0.05 0.00 0.66 0.00 0.00 57.16 58.07 3fg0 n GLU 215 Cb 0.16 -1.53 -0.04 0.00 0.27 0.00 0.00 31.44 30.30 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 -3.69 0.00 -0.27 6.31 0.24 -0.92 -4.20 118.33 115.80 3fg0 n VAL 216 Ca -0.48 -0.30 -0.07 0.00 -2.04 0.00 0.00 64.34 61.46 3fg0 n VAL 216 Cb 0.94 1.03 0.05 0.00 -1.47 0.00 0.00 33.84 34.40 3fg0 n VAL 216 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3fg0 h GLY 217 N 2.32 1.23 1.68 7.63 0.00 -0.75 -2.63 103.07 112.55 3fg0 h GLY 217 Ca 0.00 -0.72 -0.06 0.00 0.00 0.00 0.00 47.33 46.55 3fg0 h GLY 217 CO 0.00 0.67 -0.11 -0.55 0.00 0.00 0.00 176.54 176.55 3fg0 h ASP 218 N 1.09 0.37 -0.39 0.19 3.32 -1.86 -0.75 116.42 118.40 3fg0 h ASP 218 Ca 0.24 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 3fg0 h ASP 218 Cb 0.30 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3fg0 h ASP 218 CO -0.01 0.53 0.03 0.58 -1.72 0.00 0.00 179.24 178.65 3fg0 h VAL 219 N 0.37 1.25 -0.15 -1.35 2.07 -1.83 0.16 116.25 116.77 3fg0 h VAL 219 Ca 0.07 -0.93 -0.08 0.00 0.82 0.00 0.00 66.70 66.58 3fg0 h VAL 219 Cb 0.43 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3fg0 h VAL 219 CO 0.02 0.32 -0.26 0.24 0.02 0.00 0.00 177.57 177.91 3fg0 h MET 220 N 0.50 0.27 0.00 1.57 2.86 -1.01 -1.87 114.93 117.25 3fg0 h MET 220 Ca 0.11 -0.09 -0.18 0.00 -2.06 0.00 0.00 59.70 57.48 3fg0 h MET 220 Cb 0.42 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.03 3fg0 h MET 220 CO 0.01 0.52 -1.50 -1.13 1.06 0.00 0.00 176.91 175.87 3fg0 n SER 221 N -4.15 0.80 -0.61 1.22 3.41 -0.35 -4.55 113.62 109.38 3fg0 n SER 221 Ca -0.01 0.35 0.08 0.00 -0.26 0.00 0.00 58.87 59.04 3fg0 n SER 221 Cb 0.37 0.23 0.06 0.00 -0.26 0.00 0.00 64.21 64.61 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 1.42 0.18 3.76 5.00 0.00 0.57 -3.64 105.19 112.48 3fg0 n GLY 222 Ca -0.11 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 3fg0 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fg0 s HIS 223 N -1.45 3.50 0.28 1.61 2.46 -0.71 -4.82 115.29 116.16 3fg0 s HIS 223 Ca 0.18 1.68 0.37 0.00 0.47 0.00 0.00 55.06 57.77 3fg0 s HIS 223 Cb 0.14 -3.26 1.70 0.00 -0.13 0.00 0.00 32.58 31.02 3fg0 s HIS 223 CO 0.23 -0.60 2.11 1.57 -2.47 0.00 0.00 174.74 175.58 3fg0 h LYS 224 N 3.53 0.00 -0.21 2.88 2.10 -1.94 -2.80 116.57 120.13 3fg0 h LYS 224 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 3fg0 h LYS 224 Cb 1.21 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 3fg0 h LYS 224 CO 0.66 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 178.50 3fg0 n GLU 225 N -3.10 1.81 -3.28 0.07 -0.58 -1.26 -4.85 120.64 109.45 3fg0 n GLU 225 Ca -0.01 -1.22 -0.38 0.00 -0.42 0.00 0.00 57.16 55.13 3fg0 n GLU 225 Cb 0.23 -1.39 -0.06 0.00 -0.57 0.00 0.00 31.44 29.65 3fg0 n GLU 225 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg0 s VAL 226 N -1.73 4.94 -0.12 2.62 1.01 -1.06 -4.56 120.40 121.49 3fg0 s VAL 226 Ca 0.32 1.13 0.18 0.00 0.00 0.00 0.00 61.98 63.61 3fg0 s VAL 226 Cb 0.17 -3.87 -0.26 0.00 0.00 0.00 0.00 36.38 32.42 3fg0 s VAL 226 CO 0.26 0.45 0.20 0.47 0.00 0.00 0.00 175.10 176.48 3fg0 n ASP 227 N 2.54 0.44 -3.76 3.32 8.00 0.81 -4.87 116.55 123.04 3fg0 n ASP 227 Ca -0.09 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.29 3fg0 n ASP 227 Cb 0.51 1.31 -0.12 0.00 -0.02 0.00 0.00 41.12 42.81 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 -4.99 0.75 -0.19 0.64 2.96 -1.13 -2.83 118.68 113.87 3fg0 s LEU 228 Ca -0.08 0.53 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3fg0 s LEU 228 Cb 0.08 0.84 -0.01 0.00 0.50 0.00 0.00 46.19 47.61 3fg0 s LEU 228 CO 0.78 -0.12 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.93 3fg0 s VAL 229 N 0.61 3.21 -0.18 1.68 1.01 -0.56 -1.26 120.40 124.91 3fg0 s VAL 229 Ca -0.04 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.38 3fg0 s VAL 229 Cb -0.05 -2.43 0.01 0.00 0.00 0.00 0.00 36.38 33.91 3fg0 s VAL 229 CO -0.04 0.46 -0.16 -0.55 0.00 0.00 0.00 175.10 174.82 3fg0 s SER 230 N 1.15 3.51 -0.02 3.32 0.15 0.13 -1.53 113.70 120.42 3fg0 s SER 230 Ca 0.02 -0.54 0.03 0.00 0.70 0.00 0.00 55.95 56.15 3fg0 s SER 230 Cb -0.14 -1.55 -0.00 0.00 -1.71 0.00 0.00 66.02 62.61 3fg0 s SER 230 CO -0.02 0.03 -0.11 0.12 1.20 0.00 0.00 173.24 174.46 3fg0 s PHE 231 N 1.16 1.03 -0.10 3.44 5.36 -0.14 -1.50 117.98 127.24 3fg0 s PHE 231 Ca 0.01 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.76 3fg0 s PHE 231 Cb -0.14 -0.70 0.02 0.00 -0.34 0.00 0.00 43.02 41.85 3fg0 s PHE 231 CO -0.07 -0.07 -0.12 0.99 -1.46 0.00 0.00 175.22 174.50 3fg0 s THR 232 N -0.03 1.26 -1.23 0.12 2.01 -0.77 -1.85 115.64 115.15 3fg0 s THR 232 Ca 0.00 -0.49 0.00 0.00 0.31 0.00 0.00 61.69 61.51 3fg0 s THR 232 Cb -0.07 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.26 3fg0 s THR 232 CO 0.00 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.94 3fg0 n GLY 233 N 4.30 -0.74 3.94 4.40 0.00 -0.53 -3.32 105.19 113.23 3fg0 n GLY 233 Ca -0.19 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.27 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 1.48 0.28 -0.02 0.00 -1.26 -3.67 107.32 104.13 3fg0 s GLY 234 Ca 0.00 -0.96 -0.02 0.00 0.00 0.00 0.00 44.72 43.74 3fg0 s GLY 234 CO 0.00 -0.82 1.88 1.19 0.00 0.00 0.00 173.10 175.34 3fg0 h ILE 235 N 0.50 1.22 0.19 0.90 2.10 -1.92 -1.17 117.51 119.34 3fg0 h ILE 235 Ca -0.47 -0.64 -0.01 0.00 1.08 0.00 0.00 64.86 64.81 3fg0 h ILE 235 Cb 1.24 0.36 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 3fg0 h ILE 235 CO 0.59 0.27 -0.09 -0.33 -1.08 0.00 0.00 178.15 177.51 3fg0 h GLU 236 N 0.97 -0.25 -0.56 2.19 5.08 -1.95 -1.36 114.58 118.70 3fg0 h GLU 236 Ca 0.24 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3fg0 h GLU 236 Cb 0.12 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3fg0 h GLU 236 CO -0.03 -0.12 0.09 1.15 -1.00 0.00 0.00 179.01 179.10 3fg0 h THR 237 N -0.32 1.26 -0.62 1.13 2.02 -1.96 -2.74 112.91 111.68 3fg0 h THR 237 Ca -0.03 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 66.26 3fg0 h THR 237 Cb 0.25 0.80 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 3fg0 h THR 237 CO 0.04 0.36 0.26 1.23 0.37 0.00 0.00 175.52 177.78 3fg0 h GLY 238 N 0.83 0.89 1.29 2.16 0.00 -1.08 -0.67 103.07 106.48 3fg0 h GLY 238 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 3fg0 h GLY 238 CO 0.01 0.01 -0.13 0.50 0.00 0.00 0.00 176.54 176.93 3fg0 h LYS 239 N 0.46 0.84 -0.14 4.80 1.57 -1.14 -1.23 116.57 121.74 3fg0 h LYS 239 Ca 0.31 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3fg0 h LYS 239 Cb 0.35 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3fg0 h LYS 239 CO -0.28 0.92 0.07 1.25 -0.57 0.00 0.00 179.45 180.84 3fg0 h HIS 240 N 0.75 0.20 -0.40 -1.35 2.76 -1.15 -1.84 115.15 114.12 3fg0 h HIS 240 Ca 0.12 -0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 3fg0 h HIS 240 Cb 0.64 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.50 3fg0 h HIS 240 CO 0.04 0.24 0.18 0.82 -1.30 0.00 0.00 177.93 177.90 3fg0 h ILE 241 N 0.10 0.94 -0.46 6.26 2.04 -0.92 -0.72 117.51 124.74 3fg0 h ILE 241 Ca 0.05 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 3fg0 h ILE 241 Cb 0.11 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 3fg0 h ILE 241 CO -0.01 0.07 0.28 -0.03 0.00 0.00 0.00 178.15 178.46 3fg0 h MET 242 N 0.37 0.63 -0.98 2.37 4.05 -1.05 0.15 114.93 120.47 3fg0 h MET 242 Ca 0.18 -0.06 0.01 0.00 -0.28 0.00 0.00 59.70 59.55 3fg0 h MET 242 Cb 0.11 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 30.73 3fg0 h MET 242 CO -0.14 0.46 0.65 0.87 0.23 0.00 0.00 176.91 178.98 3fg0 h LYS 243 N 0.62 1.28 -0.30 0.39 1.57 -1.02 -1.18 116.57 117.94 3fg0 h LYS 243 Ca 0.17 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.69 3fg0 h LYS 243 Cb -0.01 -0.29 -0.00 0.00 0.08 0.00 0.00 32.23 32.01 3fg0 h LYS 243 CO -0.03 0.85 -0.51 -0.97 -0.57 0.00 0.00 179.45 178.22 3fg0 h ASN 244 N 1.32 0.93 -0.02 0.86 -1.24 -0.52 -2.93 115.58 113.99 3fg0 h ASN 244 Ca 0.36 -0.48 -0.02 0.00 0.71 0.00 0.00 56.30 56.88 3fg0 h ASN 244 Cb -0.14 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.64 3fg0 h ASN 244 CO -0.08 1.27 -0.02 0.00 -1.29 0.00 0.00 177.43 177.31 3fg0 h ALA 245 N 0.75 1.81 -0.42 1.57 0.00 -0.34 -2.48 119.26 120.16 3fg0 h ALA 245 Ca 0.03 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 245 Cb 1.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3fg0 h ALA 245 CO 0.11 0.15 0.29 0.00 0.00 0.00 0.00 179.25 179.80 3fg0 h ALA 246 N 1.87 2.18 -0.43 0.00 0.00 -1.02 -2.04 119.26 119.81 3fg0 h ALA 246 Ca 0.03 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3fg0 h ALA 246 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fg0 h ALA 246 CO 0.00 -0.28 0.35 -0.91 0.00 0.00 0.00 179.25 178.41 3fg0 h ASN 247 N 0.17 0.00 0.00 0.00 2.35 -1.55 -1.95 115.58 114.60 3fg0 h ASN 247 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 3fg0 h ASN 247 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3fg0 h ASN 247 CO -0.03 0.00 -0.01 0.59 -1.65 0.00 0.00 177.43 176.33 3fg0 n ASN 248 N -4.15 2.15 -3.76 5.81 4.13 -0.96 -4.98 115.26 113.49 3fg0 n ASN 248 Ca 0.07 -2.70 -0.26 0.00 1.68 0.00 0.00 54.58 53.38 3fg0 n ASN 248 Cb 0.54 -0.29 0.04 0.00 -1.54 0.00 0.00 39.78 38.54 3fg0 n ASN 248 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3fg0 n VAL 249 N -1.10 -3.18 -3.12 2.41 0.31 -0.73 -4.93 118.33 107.99 3fg0 n VAL 249 Ca 0.10 -0.17 -0.39 0.00 -0.01 0.00 0.00 64.34 63.87 3fg0 n VAL 249 Cb 0.52 -3.49 -0.05 0.00 -0.91 0.00 0.00 33.84 29.91 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 -3.41 4.84 0.36 2.52 2.01 -0.81 -5.01 115.64 116.15 3fg0 s THR 250 Ca 0.42 1.39 -0.27 0.00 0.31 0.00 0.00 61.69 63.55 3fg0 s THR 250 Cb -0.20 -4.00 -0.12 0.00 0.01 0.00 0.00 72.50 68.19 3fg0 s THR 250 CO 0.80 0.39 1.18 0.59 -0.69 0.00 0.00 174.62 176.89 3fg0 n ASN 251 N 2.78 2.17 -4.18 3.53 3.02 -1.13 -4.70 115.26 116.74 3fg0 n ASN 251 Ca -0.05 1.15 -0.22 0.00 -0.03 0.00 0.00 54.58 55.43 3fg0 n ASN 251 Cb 0.51 -1.43 -0.13 0.00 -0.61 0.00 0.00 39.78 38.12 3fg0 n ASN 251 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3fg0 s ILE 252 N -1.15 1.29 -0.10 2.41 -0.00 -1.26 -1.50 121.20 120.90 3fg0 s ILE 252 Ca 0.59 -1.10 0.01 0.00 -0.00 0.00 0.00 60.65 60.15 3fg0 s ILE 252 Cb -0.58 -1.16 0.02 0.00 -0.00 0.00 0.00 42.46 40.74 3fg0 s ILE 252 CO 0.60 0.04 -0.11 0.00 -0.00 0.00 0.00 174.94 175.47 3fg0 s ALA 253 N -0.87 1.40 -0.01 2.27 0.00 -0.58 -4.76 121.76 119.21 3fg0 s ALA 253 Ca 0.03 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3fg0 s ALA 253 Cb -0.08 -0.78 -0.00 0.00 0.00 0.00 0.00 23.12 22.25 3fg0 s ALA 253 CO 0.02 -0.16 -0.09 -0.51 0.00 0.00 0.00 175.76 175.02 3fg0 s LEU 254 N 1.18 1.94 -0.10 0.00 1.43 -0.00 -0.97 118.68 122.17 3fg0 s LEU 254 Ca -0.04 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 3fg0 s LEU 254 Cb -0.14 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 45.63 3fg0 s LEU 254 CO -0.03 0.09 -0.05 -0.70 0.23 0.00 0.00 176.35 175.89 3fg0 s GLU 255 N -0.08 1.19 -0.12 1.70 -6.30 -0.77 -1.36 118.70 112.96 3fg0 s GLU 255 Ca 0.01 -0.12 0.15 0.00 -2.50 0.00 0.00 54.97 52.51 3fg0 s GLU 255 Cb -0.05 -1.36 0.29 0.00 0.00 0.00 0.00 34.13 33.01 3fg0 s GLU 255 CO -0.00 -0.28 1.15 1.28 0.02 0.00 0.00 175.26 177.43 3fg0 n LEU 256 N 5.01 2.02 0.00 2.70 4.77 0.22 -1.46 117.00 130.26 3fg0 n LEU 256 Ca -0.11 -2.92 0.00 0.00 -0.03 0.00 0.00 56.01 52.95 3fg0 n LEU 256 Cb 0.50 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3fg0 n LEU 256 CO 0.14 0.79 0.00 0.61 -1.33 0.00 0.00 177.39 177.61 3fg0 n GLY 257 N -1.05 -1.92 3.86 -0.72 0.00 -1.24 -3.84 105.19 100.28 3fg0 n GLY 257 Ca 0.14 -1.63 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.57 0.13 -0.57 -0.02 0.00 -1.24 -4.53 107.32 100.52 3fg0 s GLY 258 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.39 3fg0 s GLY 258 CO 0.00 1.80 0.38 1.25 0.00 0.00 0.00 173.10 176.53 3fg0 s LYS 259 N -2.28 1.90 -0.21 2.90 2.47 -1.26 -4.70 119.74 118.57 3fg0 s LYS 259 Ca 0.20 -2.76 -0.22 0.00 -1.56 0.00 0.00 55.97 51.63 3fg0 s LYS 259 Cb -0.03 -2.87 -0.02 0.00 -1.46 0.00 0.00 37.83 33.45 3fg0 s LYS 259 CO 0.06 -1.25 0.71 -0.80 0.16 0.00 0.00 175.35 174.23 3fg0 s ASN 260 N -0.66 6.76 0.33 1.43 0.01 -1.26 -4.89 114.94 116.67 3fg0 s ASN 260 Ca 0.23 0.93 -0.20 0.00 -0.71 0.00 0.00 52.86 53.11 3fg0 s ASN 260 Cb -0.11 -2.39 -0.10 0.00 0.41 0.00 0.00 41.25 39.07 3fg0 s ASN 260 CO -0.11 -0.36 0.85 -2.16 -1.51 0.00 0.00 177.10 173.81 3fg0 s PRO 261 N 2.20 4.26 -0.32 -0.60 0.04 -1.25 -2.84 135.00 136.50 3fg0 s PRO 261 Ca 0.32 1.00 0.02 0.00 0.04 0.00 0.00 61.00 62.38 3fg0 s PRO 261 Cb -0.16 -2.54 0.09 0.00 0.04 0.00 0.00 34.50 31.93 3fg0 s PRO 261 CO 0.10 0.18 0.05 1.21 0.04 0.00 0.00 177.00 178.59 3fg0 s ASN 262 N -1.95 4.39 -0.26 6.66 3.84 -0.04 -1.01 114.94 126.57 3fg0 s ASN 262 Ca 0.53 -1.85 -0.14 0.00 0.21 0.00 0.00 52.86 51.61 3fg0 s ASN 262 Cb -0.13 -1.30 -0.04 0.00 -0.55 0.00 0.00 41.25 39.23 3fg0 s ASN 262 CO 0.18 -0.37 0.34 -0.63 -2.79 0.00 0.00 177.10 173.83 3fg0 s ILE 263 N 1.22 5.20 -0.28 -5.21 1.01 -0.02 -1.16 121.20 121.97 3fg0 s ILE 263 Ca 0.08 0.52 0.03 0.00 0.00 0.00 0.00 60.65 61.29 3fg0 s ILE 263 Cb -0.18 -3.67 0.07 0.00 0.01 0.00 0.00 42.46 38.68 3fg0 s ILE 263 CO -0.14 0.20 -0.08 -0.63 0.00 0.00 0.00 174.94 174.29 3fg0 s ILE 264 N 1.84 2.19 0.61 2.92 1.01 0.29 0.01 121.20 130.07 3fg0 s ILE 264 Ca 0.14 -1.78 -0.10 0.00 0.00 0.00 0.00 60.65 58.91 3fg0 s ILE 264 Cb -0.15 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3fg0 s ILE 264 CO 0.09 -0.14 0.99 -0.36 0.00 0.00 0.00 174.94 175.52 3fg0 s PHE 265 N 1.06 3.56 -0.61 3.97 0.08 -0.75 -0.97 117.98 124.32 3fg0 s PHE 265 Ca -0.05 1.15 0.20 0.00 0.12 0.00 0.00 56.93 58.35 3fg0 s PHE 265 Cb -0.20 -2.70 0.87 0.00 -0.57 0.00 0.00 43.02 40.42 3fg0 s PHE 265 CO -0.06 -0.70 1.62 -0.40 -0.10 0.00 0.00 175.22 175.59 3fg0 n ASP 266 N -2.70 0.47 -1.46 1.36 5.68 -1.26 -1.63 116.55 117.01 3fg0 n ASP 266 Ca 0.05 0.63 0.08 0.00 -0.50 0.00 0.00 54.79 55.05 3fg0 n ASP 266 Cb 0.55 -0.72 0.34 0.00 -1.14 0.00 0.00 41.12 40.14 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 -2.03 4.75 -4.77 -1.12 5.75 -1.26 -4.94 116.55 112.92 3fg0 n ASP 267 Ca 0.02 -2.69 -0.32 0.00 -0.01 0.00 0.00 54.79 51.79 3fg0 n ASP 267 Cb 0.19 -0.58 0.06 0.00 -1.03 0.00 0.00 41.12 39.77 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 -2.27 2.38 -0.42 2.12 0.00 -0.65 -1.47 121.76 121.46 3fg0 s ALA 268 Ca 0.48 0.44 -0.28 0.00 0.00 0.00 0.00 51.96 52.61 3fg0 s ALA 268 Cb 0.34 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 20.14 3fg0 s ALA 268 CO 0.18 -1.47 1.84 0.34 0.00 0.00 0.00 175.76 176.65 3fg0 s ASP 269 N -2.88 5.66 0.11 0.00 -1.08 -1.26 -4.85 116.67 112.36 3fg0 s ASP 269 Ca 0.65 1.01 -0.24 0.00 -0.52 0.00 0.00 52.55 53.45 3fg0 s ASP 269 Cb -0.19 -2.53 -0.10 0.00 -1.46 0.00 0.00 42.92 38.64 3fg0 s ASP 269 CO 0.47 -1.95 1.69 0.15 0.52 0.00 0.00 175.17 176.05 3fg0 h PHE 270 N 13.74 -0.28 0.00 -5.34 3.57 -1.93 -0.58 116.94 126.12 3fg0 h PHE 270 Ca -0.31 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.13 3fg0 h PHE 270 Cb 1.17 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 3fg0 h PHE 270 CO 0.98 -0.17 -0.34 0.93 -2.23 0.00 0.00 178.31 177.48 3fg0 h GLU 271 N -0.21 0.00 -0.35 1.11 4.39 -1.99 -0.77 114.58 116.76 3fg0 h GLU 271 Ca 0.03 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 3fg0 h GLU 271 Cb 0.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 3fg0 h GLU 271 CO -0.09 0.34 0.15 1.25 -1.16 0.00 0.00 179.01 179.51 3fg0 h LEU 272 N 0.00 0.47 -1.00 1.33 5.85 -1.84 -0.76 115.31 119.36 3fg0 h LEU 272 Ca -0.00 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.54 3fg0 h LEU 272 Cb 0.75 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.62 3fg0 h LEU 272 CO 0.04 0.49 0.34 0.00 -0.34 0.00 0.00 178.44 178.98 3fg0 h ALA 273 N 1.00 1.22 -0.05 1.25 0.00 -0.44 0.11 119.26 122.35 3fg0 h ALA 273 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 273 Cb 0.16 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3fg0 h ALA 273 CO -0.01 0.59 -0.01 0.28 0.00 0.00 0.00 179.25 180.10 3fg0 h VAL 274 N 1.04 1.28 -0.38 0.00 2.07 -1.07 0.07 116.25 119.26 3fg0 h VAL 274 Ca 0.25 -0.87 0.08 0.00 0.82 0.00 0.00 66.70 66.98 3fg0 h VAL 274 Cb 0.13 1.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.58 3fg0 h VAL 274 CO -0.03 0.24 -0.12 -0.78 0.02 0.00 0.00 177.57 176.90 3fg0 h ASP 275 N -0.23 -0.42 1.39 0.57 3.58 -0.82 -1.79 116.42 118.69 3fg0 h ASP 275 Ca 0.01 0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.53 3fg0 h ASP 275 Cb 0.38 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 3fg0 h ASP 275 CO 0.00 -0.15 -0.26 1.56 -2.88 0.00 0.00 179.24 177.51 3fg0 h GLN 276 N -0.03 0.00 -0.43 0.28 1.08 -0.77 -1.76 115.11 113.48 3fg0 h GLN 276 Ca 0.19 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 3fg0 h GLN 276 Cb 0.31 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 3fg0 h GLN 276 CO -0.41 0.26 -0.01 0.00 -0.95 0.00 0.00 178.83 177.72 3fg0 h ALA 277 N 1.74 0.58 -0.27 3.87 0.00 -0.60 0.10 119.26 124.69 3fg0 h ALA 277 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.64 3fg0 h ALA 277 Cb 1.03 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 3fg0 h ALA 277 CO 0.03 0.38 0.17 -0.07 0.00 0.00 0.00 179.25 179.76 3fg0 h LEU 278 N 0.60 0.29 -0.35 0.00 3.38 -1.11 -0.57 115.31 117.56 3fg0 h LEU 278 Ca 0.12 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 3fg0 h LEU 278 Cb 0.50 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3fg0 h LEU 278 CO 0.02 0.21 0.08 0.78 0.09 0.00 0.00 178.44 179.62 3fg0 h ASN 279 N 0.35 0.54 -0.70 -0.43 2.35 -1.23 0.92 115.58 117.38 3fg0 h ASN 279 Ca 0.10 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.63 3fg0 h ASN 279 Cb -0.03 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 3fg0 h ASN 279 CO -0.03 0.64 0.45 1.23 -1.65 0.00 0.00 177.43 178.07 3fg0 h GLY 280 N 0.41 0.99 1.47 2.83 0.00 -0.74 -2.76 103.07 105.28 3fg0 h GLY 280 Ca 0.11 -0.35 -0.24 0.00 0.00 0.00 0.00 47.33 46.85 3fg0 h GLY 280 CO 0.00 0.32 -0.99 -1.33 0.00 0.00 0.00 176.54 174.54 3fg0 h GLY 281 N 0.90 0.52 0.00 4.60 0.00 -0.70 -0.71 103.07 107.68 3fg0 h GLY 281 Ca 0.27 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.66 3fg0 h GLY 281 CO -0.08 0.83 0.00 -1.72 0.00 0.00 0.00 176.54 175.57 3fg0 n TYR 282 N -3.76 0.00 -1.65 5.60 4.01 0.28 -3.42 117.16 118.22 3fg0 n TYR 282 Ca -0.08 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.21 3fg0 n TYR 282 Cb 0.86 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.86 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 -0.78 2.01 -3.64 -0.72 3.01 -1.04 -1.07 117.46 115.23 3fg0 n PHE 283 Ca 0.00 0.47 -0.27 0.00 1.01 0.00 0.00 57.45 58.66 3fg0 n PHE 283 Cb 0.00 -2.43 0.00 0.00 -0.01 0.00 0.00 39.48 37.05 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 1.85 -1.94 -3.25 1.38 -0.00 -1.26 -1.04 115.22 110.95 3fg0 n HIS 284 Ca 0.12 0.65 -0.23 0.00 0.46 0.00 0.00 57.72 58.73 3fg0 n HIS 284 Cb 0.30 -3.36 0.01 0.00 -0.12 0.00 0.00 29.99 26.82 3fg0 n HIS 284 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fg0 n ALA 285 N -4.00 -1.04 -1.17 1.57 0.00 -0.23 -1.43 120.51 114.22 3fg0 n ALA 285 Ca 0.01 0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 3fg0 n ALA 285 Cb 0.53 -3.16 -0.03 0.00 0.00 0.00 0.00 19.45 16.80 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 -1.29 0.79 2.66 0.00 0.00 -0.21 -0.97 105.19 106.17 3fg0 n GLY 286 Ca -0.05 -0.32 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 3fg0 n GLY 286 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fg0 n GLN 287 N -1.99 2.90 -5.02 1.61 6.02 -0.51 -3.44 117.38 116.94 3fg0 n GLN 287 Ca -0.06 -3.02 -0.28 0.00 -0.01 0.00 0.00 57.00 53.64 3fg0 n GLN 287 Cb 0.30 -2.25 -0.16 0.00 1.02 0.00 0.00 30.24 29.15 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 -3.34 1.66 0.38 5.09 1.01 -1.26 -4.82 120.40 119.12 3fg0 s VAL 288 Ca 0.55 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.71 3fg0 s VAL 288 Cb 0.38 -1.39 0.28 0.00 0.00 0.00 0.00 36.38 35.65 3fg0 s VAL 288 CO -0.28 0.47 2.00 0.00 0.00 0.00 0.00 175.10 177.29 3fg0 n SER 290 N -4.47 3.00 -4.58 0.00 3.41 -1.26 -3.73 113.62 105.99 3fg0 n SER 290 Ca 0.07 -1.99 -0.47 0.00 -0.26 0.00 0.00 58.87 56.23 3fg0 n SER 290 Cb 0.16 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 63.72 3fg0 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg0 n ALA 291 N 1.14 -0.51 -2.81 7.33 0.00 -0.58 -4.84 120.51 120.25 3fg0 n ALA 291 Ca 0.19 0.44 -0.44 0.00 0.00 0.00 0.00 53.44 53.63 3fg0 n ALA 291 Cb 0.48 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.79 3.91 0.21 0.00 0.00 -0.27 -3.98 105.19 106.84 3fg0 n GLY 292 Ca 0.13 -2.11 0.11 0.00 0.00 0.00 0.00 46.02 44.15 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 6.63 0.00 -3.67 1.61 4.64 -1.80 -3.34 113.55 117.62 3fg0 h SER 293 Ca 0.32 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.93 3fg0 h SER 293 Cb 0.79 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.55 3fg0 h SER 293 CO 1.34 0.10 -0.40 -0.60 -0.87 0.00 0.00 176.83 176.40 3fg0 s ARG 294 N -3.22 2.42 -0.02 4.77 3.52 -1.13 -0.79 118.95 124.50 3fg0 s ARG 294 Ca 0.06 -2.08 -0.21 0.00 -0.13 0.00 0.00 55.73 53.36 3fg0 s ARG 294 Cb 0.06 -3.78 -0.05 0.00 -1.56 0.00 0.00 34.95 29.62 3fg0 s ARG 294 CO 0.67 -1.15 0.62 0.42 -0.81 0.00 0.00 175.30 175.05 3fg0 s ILE 295 N 0.74 4.94 -0.21 4.11 1.01 -0.31 -0.87 121.20 130.62 3fg0 s ILE 295 Ca 0.11 1.29 0.01 0.00 0.00 0.00 0.00 60.65 62.06 3fg0 s ILE 295 Cb -0.22 -3.96 0.04 0.00 0.01 0.00 0.00 42.46 38.33 3fg0 s ILE 295 CO -0.03 0.37 -0.11 -0.76 0.00 0.00 0.00 174.94 174.41 3fg0 s LEU 296 N 0.08 2.42 -0.02 2.97 1.43 -0.31 -1.05 118.68 124.18 3fg0 s LEU 296 Ca 0.32 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.55 3fg0 s LEU 296 Cb -0.18 -1.29 -0.02 0.00 0.03 0.00 0.00 46.19 44.73 3fg0 s LEU 296 CO 0.17 -0.14 -0.23 0.54 0.23 0.00 0.00 176.35 176.92 3fg0 s VAL 297 N 1.35 1.80 0.34 -1.59 0.11 0.16 -0.54 120.40 122.03 3fg0 s VAL 297 Ca -0.02 -0.97 -0.29 0.00 -2.93 0.00 0.00 61.98 57.78 3fg0 s VAL 297 Cb -0.16 -1.50 -0.11 0.00 -1.53 0.00 0.00 36.38 33.07 3fg0 s VAL 297 CO -0.08 0.51 1.44 -1.58 -3.33 0.00 0.00 175.10 172.06 3fg0 s GLN 298 N -0.45 4.20 0.37 1.54 0.74 -0.15 -2.01 119.66 123.90 3fg0 s GLN 298 Ca 0.07 2.43 0.10 0.00 0.05 0.00 0.00 55.36 58.01 3fg0 s GLN 298 Cb -0.10 -3.02 0.87 0.00 1.10 0.00 0.00 33.01 31.86 3fg0 s GLN 298 CO -0.00 -0.42 1.88 -0.91 -0.55 0.00 0.00 175.29 175.28 3fg0 h ASN 299 N 3.54 0.60 -0.07 6.67 -0.26 -1.19 -1.74 115.58 123.13 3fg0 h ASN 299 Ca -0.49 0.04 0.02 0.00 -0.56 0.00 0.00 56.30 55.30 3fg0 h ASN 299 Cb 1.23 -0.08 -0.00 0.00 -1.06 0.00 0.00 38.32 38.41 3fg0 h ASN 299 CO 0.68 0.30 0.06 0.77 -1.06 0.00 0.00 177.43 178.18 3fg0 h SER 300 N 0.63 0.00 0.00 5.81 4.64 -1.89 -2.85 113.55 119.89 3fg0 h SER 300 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 3fg0 h SER 300 Cb 0.76 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.85 3fg0 h SER 300 CO -0.19 0.00 -0.03 2.30 -0.87 0.00 0.00 176.83 178.04 3fg0 n ILE 301 N -4.18 1.18 0.17 0.95 -5.35 -0.71 -4.88 119.36 106.54 3fg0 n ILE 301 Ca -0.01 -1.32 -0.14 0.00 -0.27 0.00 0.00 62.75 61.00 3fg0 n ILE 301 Cb 0.16 0.27 -0.08 0.00 -1.74 0.00 0.00 39.64 38.25 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 0.00 -0.38 -0.55 6.28 3.64 -1.15 0.11 116.57 124.51 3fg0 h LYS 302 Ca 0.00 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3fg0 h LYS 302 Cb 0.79 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.65 3fg0 h LYS 302 CO 0.00 -0.19 0.30 -0.44 -2.27 0.00 0.00 179.45 176.85 3fg0 h ASP 303 N -0.49 0.44 -0.74 4.20 3.32 -1.90 0.84 116.42 122.10 3fg0 h ASP 303 Ca -0.04 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.99 3fg0 h ASP 303 Cb 0.36 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3fg0 h ASP 303 CO 0.07 0.30 0.29 0.50 -1.72 0.00 0.00 179.24 178.68 3fg0 h LYS 304 N 0.57 1.10 -0.15 3.56 3.64 -1.89 -2.06 116.57 121.35 3fg0 h LYS 304 Ca 0.24 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3fg0 h LYS 304 Cb 0.12 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3fg0 h LYS 304 CO -0.15 0.91 0.05 0.35 -2.27 0.00 0.00 179.45 178.33 3fg0 h PHE 305 N 1.06 0.24 -0.71 1.91 3.57 -0.18 -1.86 116.94 120.98 3fg0 h PHE 305 Ca 0.24 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.77 3fg0 h PHE 305 Cb 0.22 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3fg0 h PHE 305 CO 0.02 0.35 0.42 0.93 -2.23 0.00 0.00 178.31 177.80 3fg0 h GLU 306 N 0.06 0.76 -0.19 1.11 5.08 -0.68 0.01 114.58 120.74 3fg0 h GLU 306 Ca 0.05 -0.05 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 3fg0 h GLU 306 Cb 0.22 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3fg0 h GLU 306 CO -0.00 0.50 -0.53 1.96 -1.00 0.00 0.00 179.01 179.94 3fg0 h GLN 307 N 0.79 0.55 -0.51 2.33 1.08 -1.31 -0.33 115.11 117.71 3fg0 h GLN 307 Ca 0.31 -0.34 -0.12 0.00 -1.45 0.00 0.00 58.65 57.05 3fg0 h GLN 307 Cb 0.14 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3fg0 h GLN 307 CO -0.16 0.94 -0.17 0.00 -0.95 0.00 0.00 178.83 178.50 3fg0 h ALA 308 N 0.99 0.74 -0.16 3.87 0.00 -1.05 -1.64 119.26 122.00 3fg0 h ALA 308 Ca 0.01 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 3fg0 h ALA 308 Cb 1.07 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3fg0 h ALA 308 CO 0.10 0.67 -0.04 1.25 0.00 0.00 0.00 179.25 181.24 3fg0 h LEU 309 N 0.88 0.31 -0.65 0.00 5.85 -0.78 -2.54 115.31 118.38 3fg0 h LEU 309 Ca 0.12 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 3fg0 h LEU 309 Cb 0.74 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3fg0 h LEU 309 CO 0.06 0.60 0.35 0.40 -0.34 0.00 0.00 178.44 179.51 3fg0 h ILE 310 N 0.01 1.21 -0.92 4.05 2.04 -1.04 -0.56 117.51 122.29 3fg0 h ILE 310 Ca 0.04 -0.54 0.03 0.00 1.00 0.00 0.00 64.86 65.39 3fg0 h ILE 310 Cb 0.47 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 36.87 3fg0 h ILE 310 CO 0.02 0.23 0.61 0.44 0.00 0.00 0.00 178.15 179.44 3fg0 h ASP 311 N 0.89 1.01 -0.16 1.72 3.32 -1.25 -2.24 116.42 119.71 3fg0 h ASP 311 Ca 0.23 -0.01 -0.21 0.00 0.02 0.00 0.00 57.03 57.05 3fg0 h ASP 311 Cb 0.06 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.38 3fg0 h ASP 311 CO -0.03 0.70 -0.73 0.03 -1.72 0.00 0.00 179.24 177.48 3fg0 h ARG 312 N 1.17 0.78 -0.96 3.56 2.47 -1.00 -3.22 114.38 117.18 3fg0 h ARG 312 Ca 0.36 -0.63 0.09 0.00 -1.26 0.00 0.00 59.98 58.55 3fg0 h ARG 312 Cb -0.01 0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.37 3fg0 h ARG 312 CO -0.11 1.24 0.62 0.28 0.56 0.00 0.00 179.97 182.56 3fg0 h VAL 313 N 0.51 1.00 -0.00 2.04 2.07 -0.76 -0.33 116.25 120.78 3fg0 h VAL 313 Ca -0.05 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.12 3fg0 h VAL 313 Cb 1.37 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3fg0 h VAL 313 CO 0.15 0.19 0.02 0.11 0.02 0.00 0.00 177.57 178.06 3fg0 h LYS 314 N 1.02 0.00 -0.01 1.57 1.57 -1.42 -2.48 116.57 116.82 3fg0 h LYS 314 Ca 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.22 3fg0 h LYS 314 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3fg0 h LYS 314 CO -0.20 0.00 -0.61 1.63 -0.57 0.00 0.00 179.45 179.70 3fg0 n LYS 315 N -3.23 0.69 -1.78 3.15 5.02 -0.14 -4.96 118.16 116.91 3fg0 n LYS 315 Ca -0.03 -0.54 -0.42 0.00 -2.02 0.00 0.00 58.31 55.30 3fg0 n LYS 315 Cb 0.09 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 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 -2.68 2.11 -0.35 -0.18 1.01 -0.94 -4.95 121.20 115.22 3fg0 s ILE 316 Ca 0.15 0.08 -0.16 0.00 0.00 0.00 0.00 60.65 60.72 3fg0 s ILE 316 Cb 0.18 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.59 3fg0 s ILE 316 CO 0.67 0.01 0.42 -0.54 0.00 0.00 0.00 174.94 175.50 3fg0 s LYS 317 N 0.29 3.55 0.15 2.79 1.02 -1.26 -5.00 119.74 121.27 3fg0 s LYS 317 Ca 0.68 -0.35 -0.08 0.00 0.02 0.00 0.00 55.97 56.24 3fg0 s LYS 317 Cb -0.48 -3.82 -0.06 0.00 -0.52 0.00 0.00 37.83 32.95 3fg0 s LYS 317 CO 0.40 -0.59 0.43 -0.51 -0.92 0.00 0.00 175.35 174.16 3fg0 s LEU 318 N 2.16 4.26 0.00 3.17 1.02 -1.26 -0.33 118.68 127.71 3fg0 s LEU 318 Ca 0.14 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.03 3fg0 s LEU 318 Cb -0.16 -3.33 0.00 0.00 0.02 0.00 0.00 46.19 42.71 3fg0 s LEU 318 CO 0.12 0.05 0.00 0.61 0.02 0.00 0.00 176.35 177.15 3fg0 n GLY 319 N 0.24 -0.82 3.72 -3.19 0.00 -1.01 -4.89 105.19 99.23 3fg0 n GLY 319 Ca -0.03 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 6.83 0.60 1.61 3.84 -1.26 -4.33 114.94 118.24 3fg0 s ASN 320 Ca 0.00 2.33 0.36 0.00 0.21 0.00 0.00 52.86 55.76 3fg0 s ASN 320 Cb 0.00 -2.59 1.96 0.00 -0.55 0.00 0.00 41.25 40.07 3fg0 s ASN 320 CO 0.00 -0.64 2.24 1.23 -2.79 0.00 0.00 177.10 177.15 3fg0 h GLY 321 N 6.64 0.00 2.00 1.21 0.00 -1.82 -1.22 103.07 109.88 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 0.85 0.00 0.00 0.74 0.00 0.00 0.00 176.54 178.13 3fg0 h PHE 322 N 0.00 0.00 -3.33 5.60 0.04 -1.91 -0.44 116.94 116.90 3fg0 h PHE 322 Ca -0.00 0.00 -0.56 0.00 2.80 0.00 0.00 57.97 60.21 3fg0 h PHE 322 Cb 0.12 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.22 3fg0 h PHE 322 CO 0.00 0.00 0.37 0.34 -0.60 0.00 0.00 178.31 178.42 3fg0 s ASP 323 N -4.57 7.12 0.58 2.17 -1.08 -0.46 -4.94 116.67 115.49 3fg0 s ASP 323 Ca 0.09 1.37 0.29 0.00 -0.52 0.00 0.00 52.55 53.78 3fg0 s ASP 323 Cb 0.11 -2.50 1.78 0.00 -1.46 0.00 0.00 42.92 40.86 3fg0 s ASP 323 CO 0.56 -0.32 2.24 0.00 0.52 0.00 0.00 175.17 178.17 3fg0 h ALA 324 N 7.04 1.52 0.00 3.66 0.00 -1.86 -2.32 119.26 127.30 3fg0 h ALA 324 Ca -0.35 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 3fg0 h ALA 324 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fg0 h ALA 324 CO 0.81 0.01 -0.06 -0.25 0.00 0.00 0.00 179.25 179.76 3fg0 n ASP 325 N -3.86 0.51 -4.72 0.00 8.00 -1.26 -4.86 116.55 110.37 3fg0 n ASP 325 Ca -0.03 0.49 -0.42 0.00 0.71 0.00 0.00 54.79 55.54 3fg0 n ASP 325 Cb 0.09 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.58 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 -3.07 3.02 -0.09 -3.53 2.01 -0.88 -4.83 115.64 108.27 3fg0 s THR 326 Ca 0.12 0.74 0.13 0.00 0.31 0.00 0.00 61.69 62.99 3fg0 s THR 326 Cb 0.15 -3.47 -0.19 0.00 0.01 0.00 0.00 72.50 68.99 3fg0 s THR 326 CO 0.59 0.06 0.15 -0.62 -0.69 0.00 0.00 174.62 174.11 3fg0 n GLU 327 N 3.83 1.26 -3.72 4.92 1.02 0.55 -4.97 120.64 123.53 3fg0 n GLU 327 Ca 0.12 -0.06 -0.14 0.00 -0.02 0.00 0.00 57.16 57.06 3fg0 n GLU 327 Cb 0.41 -1.35 -0.14 0.00 -0.02 0.00 0.00 31.44 30.33 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 -2.60 0.10 0.21 3.49 1.75 -0.63 -4.86 119.30 116.77 3fg0 s MET 328 Ca -0.06 0.45 -0.02 0.00 -1.25 0.00 0.00 55.69 54.82 3fg0 s MET 328 Cb 0.06 -0.19 0.04 0.00 2.84 0.00 0.00 34.83 37.59 3fg0 s MET 328 CO 0.58 -0.20 0.29 0.41 -0.65 0.00 0.00 175.02 175.44 3fg0 n GLY 329 N 4.51 0.03 3.79 2.11 0.00 -1.26 -2.41 105.19 111.96 3fg0 n GLY 329 Ca -0.21 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.65 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 -3.31 1.37 0.78 1.61 0.04 -1.26 -4.71 135.00 129.52 3fg0 s PRO 330 Ca 0.18 0.38 -0.10 0.00 0.04 0.00 0.00 61.00 61.49 3fg0 s PRO 330 Cb -0.01 -1.86 0.08 0.00 0.04 0.00 0.00 34.50 32.76 3fg0 s PRO 330 CO 0.12 -2.06 1.13 0.14 0.04 0.00 0.00 177.00 176.37 3fg0 s VAL 331 N -3.25 2.10 0.17 -0.36 -7.23 0.27 -4.80 120.40 107.30 3fg0 s VAL 331 Ca 0.63 -0.11 0.06 0.00 -1.81 0.00 0.00 61.98 60.75 3fg0 s VAL 331 Cb -0.15 -2.99 -0.15 0.00 0.56 0.00 0.00 36.38 33.65 3fg0 s VAL 331 CO 0.54 0.00 1.39 -0.29 -0.31 0.00 0.00 175.10 176.42 3fg0 h ILE 332 N -0.93 1.57 -3.10 -0.62 6.09 -1.85 -3.43 117.51 115.24 3fg0 h ILE 332 Ca -0.45 -2.83 0.01 0.00 -1.37 0.00 0.00 64.86 60.22 3fg0 h ILE 332 Cb 1.32 2.56 -0.09 0.00 0.47 0.00 0.00 36.82 41.08 3fg0 h ILE 332 CO 0.61 0.81 0.16 -0.94 -3.07 0.00 0.00 178.15 175.73 3fg0 s SER 333 N -6.83 -0.36 0.21 2.19 1.04 -1.26 -4.65 113.70 104.04 3fg0 s SER 333 Ca -0.01 -0.38 -0.09 0.00 0.48 0.00 0.00 55.95 55.95 3fg0 s SER 333 Cb 0.11 0.64 0.23 0.00 0.10 0.00 0.00 66.02 67.10 3fg0 s SER 333 CO 0.81 -1.14 1.83 0.74 0.98 0.00 0.00 173.24 176.46 3fg0 h THR 334 N 2.06 1.02 -0.34 2.02 2.02 -1.98 -0.78 112.91 116.92 3fg0 h THR 334 Ca -0.27 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.55 3fg0 h THR 334 Cb 1.27 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.85 3fg0 h THR 334 CO 0.32 0.14 -0.17 -0.33 0.37 0.00 0.00 175.52 175.85 3fg0 h GLU 335 N 0.77 0.63 -0.15 6.66 3.07 -1.99 -1.48 114.58 122.09 3fg0 h GLU 335 Ca 0.30 -0.22 -0.21 0.00 -0.50 0.00 0.00 59.36 58.73 3fg0 h GLU 335 Cb 0.13 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.00 3fg0 h GLU 335 CO -0.16 0.77 -0.71 1.25 -1.40 0.00 0.00 179.01 178.76 3fg0 h HIS 336 N 0.57 1.01 -0.53 4.33 2.76 -1.89 -2.66 115.15 118.74 3fg0 h HIS 336 Ca 0.09 -0.44 -0.02 0.00 -2.20 0.00 0.00 60.37 57.80 3fg0 h HIS 336 Cb 0.62 -0.16 -0.03 0.00 1.55 0.00 0.00 27.41 29.39 3fg0 h HIS 336 CO 0.03 1.27 0.26 -0.09 -1.30 0.00 0.00 177.93 178.09 3fg0 h ARG 337 N 0.46 0.74 -0.39 5.26 2.43 -0.92 -1.90 114.38 120.06 3fg0 h ARG 337 Ca -0.05 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3fg0 h ARG 337 Cb 1.35 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3fg0 h ARG 337 CO 0.15 0.58 0.20 -0.97 -1.51 0.00 0.00 179.97 178.42 3fg0 h ASN 338 N 0.74 0.30 -0.23 -3.80 -1.24 -1.24 -0.14 115.58 109.97 3fg0 h ASN 338 Ca 0.19 0.02 0.01 0.00 0.71 0.00 0.00 56.30 57.22 3fg0 h ASN 338 Cb 0.08 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 3fg0 h ASN 338 CO -0.03 0.22 0.12 0.50 -1.29 0.00 0.00 177.43 176.96 3fg0 h LYS 339 N 0.41 0.25 -0.52 6.67 3.64 -1.05 0.11 116.57 126.08 3fg0 h LYS 339 Ca 0.16 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3fg0 h LYS 339 Cb 0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 3fg0 h LYS 339 CO -0.11 0.17 0.31 0.82 -2.27 0.00 0.00 179.45 178.37 3fg0 h ILE 340 N 0.26 1.06 -0.77 2.00 2.04 -1.07 -1.68 117.51 119.35 3fg0 h ILE 340 Ca 0.09 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3fg0 h ILE 340 Cb 0.01 0.38 -0.04 0.00 -0.74 0.00 0.00 36.82 36.44 3fg0 h ILE 340 CO -0.06 0.11 0.41 -0.33 0.00 0.00 0.00 178.15 178.29 3fg0 h GLU 341 N 0.63 1.07 -0.58 2.37 5.08 -0.61 -2.06 114.58 120.48 3fg0 h GLU 341 Ca 0.20 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3fg0 h GLU 341 Cb 0.01 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3fg0 h GLU 341 CO -0.09 0.80 0.18 1.03 -1.00 0.00 0.00 179.01 179.93 3fg0 h SER 342 N 1.08 0.81 0.41 1.42 0.87 -0.46 -2.58 113.55 115.10 3fg0 h SER 342 Ca 0.27 -0.13 -0.09 0.00 -1.23 0.00 0.00 61.79 60.61 3fg0 h SER 342 Cb 0.05 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.78 3fg0 h SER 342 CO -0.04 0.77 -0.42 1.88 -0.53 0.00 0.00 176.83 178.49 3fg0 h TYR 343 N 0.85 0.02 -0.32 2.24 0.05 -0.77 -1.76 116.97 117.27 3fg0 h TYR 343 Ca 0.19 -0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.88 3fg0 h TYR 343 Cb 0.25 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3fg0 h TYR 343 CO 0.02 0.44 -0.16 0.52 -1.05 0.00 0.00 178.16 177.92 3fg0 h MET 344 N 0.01 0.58 -0.27 4.88 2.86 -1.00 -0.00 114.93 121.99 3fg0 h MET 344 Ca -0.00 -0.19 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 3fg0 h MET 344 Cb 0.75 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 3fg0 h MET 344 CO 0.06 0.72 -0.07 0.22 1.06 0.00 0.00 176.91 178.89 3fg0 h ASP 345 N 0.53 0.54 -0.33 1.22 3.58 -1.23 -2.18 116.42 118.54 3fg0 h ASP 345 Ca 0.09 -0.37 0.02 0.00 0.42 0.00 0.00 57.03 57.18 3fg0 h ASP 345 Cb 0.58 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.46 3fg0 h ASP 345 CO 0.04 0.79 0.19 0.58 -2.88 0.00 0.00 179.24 177.95 3fg0 h VAL 346 N 0.28 1.02 -0.26 2.25 2.07 -1.08 -1.10 116.25 119.45 3fg0 h VAL 346 Ca 0.07 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3fg0 h VAL 346 Cb 0.56 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3fg0 h VAL 346 CO 0.03 0.07 0.05 0.00 0.02 0.00 0.00 177.57 177.74 3fg0 h ALA 347 N 1.15 0.27 -0.78 1.67 0.00 -0.91 -0.86 119.26 119.81 3fg0 h ALA 347 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3fg0 h ALA 347 Cb 0.01 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 347 CO -0.07 -0.36 0.44 -0.22 0.00 0.00 0.00 179.25 179.04 3fg0 h LYS 348 N 0.15 1.07 0.00 0.00 3.64 -1.24 -1.91 116.57 118.28 3fg0 h LYS 348 Ca 0.12 -0.11 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 3fg0 h LYS 348 Cb 0.11 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3fg0 h LYS 348 CO -0.15 0.78 -0.39 0.00 -2.27 0.00 0.00 179.45 177.42 3fg0 h ALA 349 N 1.23 1.00 -0.00 5.00 0.00 -0.88 -2.82 119.26 122.79 3fg0 h ALA 349 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 349 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3fg0 h ALA 349 CO -0.05 0.48 -0.02 0.39 0.00 0.00 0.00 179.25 180.06 3fg0 n GLU 350 N -3.56 0.08 0.00 0.00 1.02 -0.36 -4.94 120.64 112.89 3fg0 n GLU 350 Ca -0.00 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3fg0 n GLU 350 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.43 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fg0 n GLY 351 N 1.46 0.82 3.89 0.62 0.00 -1.07 -5.07 105.19 105.85 3fg0 n GLY 351 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 3fg0 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 352 N -2.00 2.95 -0.19 4.61 0.00 -0.75 -4.90 121.76 121.49 3fg0 s ALA 352 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.49 3fg0 s ALA 352 Cb 0.00 -2.95 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3fg0 s ALA 352 CO 0.00 -1.11 -0.02 0.99 0.00 0.00 0.00 175.76 175.62 3fg0 s THR 353 N -3.31 3.84 -0.74 0.00 2.01 -0.17 -4.45 115.64 112.82 3fg0 s THR 353 Ca 0.58 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 61.98 3fg0 s THR 353 Cb -0.11 -2.72 0.05 0.00 0.01 0.00 0.00 72.50 69.73 3fg0 s THR 353 CO 0.50 0.44 1.15 -0.63 -0.69 0.00 0.00 174.62 175.40 3fg0 s ILE 354 N 0.90 4.05 0.19 1.82 -1.09 -1.26 -0.96 121.20 124.85 3fg0 s ILE 354 Ca 0.00 -0.12 0.08 0.00 -2.23 0.00 0.00 60.65 58.38 3fg0 s ILE 354 Cb -0.14 -4.83 -0.12 0.00 -1.58 0.00 0.00 42.46 35.79 3fg0 s ILE 354 CO 0.02 -1.68 1.43 0.00 -1.23 0.00 0.00 174.94 173.48 3fg0 h ALA 355 N 9.75 0.64 -1.96 9.38 0.00 -1.30 -3.46 119.26 132.31 3fg0 h ALA 355 Ca -0.22 -0.73 -0.05 0.00 0.00 0.00 0.00 54.91 53.91 3fg0 h ALA 355 Cb 1.05 -0.12 -0.20 0.00 0.00 0.00 0.00 17.79 18.53 3fg0 h ALA 355 CO 1.24 0.99 0.22 0.54 0.00 0.00 0.00 179.25 182.24 3fg0 s VAL 356 N -3.17 0.00 0.00 0.00 0.11 -1.17 -4.99 120.40 111.18 3fg0 s VAL 356 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 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 0.80 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.18 3fg0 n GLY 357 N 1.06 1.06 2.15 6.54 0.00 -1.26 -2.26 105.19 112.48 3fg0 n GLY 357 Ca -0.18 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.02 3fg0 n GLY 357 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg0 n GLY 358 N 0.00 0.73 3.51 -0.02 0.00 -1.26 -4.99 105.19 103.16 3fg0 n GLY 358 Ca 0.00 -0.79 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.29 1.71 0.33 1.61 -2.85 -1.26 -5.01 119.74 111.98 3fg0 s LYS 359 Ca 0.00 -1.53 -0.21 0.00 -1.00 0.00 0.00 55.97 53.23 3fg0 s LYS 359 Cb 0.00 0.44 -0.10 0.00 -2.06 0.00 0.00 37.83 36.12 3fg0 s LYS 359 CO 0.00 -0.70 0.86 1.03 0.10 0.00 0.00 175.35 176.64 3fg0 s ARG 360 N -3.51 4.31 0.38 1.78 0.52 -1.26 -0.87 118.95 120.30 3fg0 s ARG 360 Ca 0.28 1.05 -0.25 0.00 -0.52 0.00 0.00 55.73 56.29 3fg0 s ARG 360 Cb 0.00 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.80 3fg0 s ARG 360 CO 0.15 0.20 1.10 -1.25 0.02 0.00 0.00 175.30 175.52 3fg0 s PRO 361 N -2.50 4.18 0.01 3.54 0.04 -1.26 -4.84 135.00 134.17 3fg0 s PRO 361 Ca 0.52 1.68 0.26 0.00 0.04 0.00 0.00 61.00 63.50 3fg0 s PRO 361 Cb -0.14 -2.69 0.65 0.00 0.04 0.00 0.00 34.50 32.36 3fg0 s PRO 361 CO 0.19 -0.16 1.52 -3.47 0.04 0.00 0.00 177.00 175.12 3fg0 n ASP 362 N 0.16 0.42 -4.70 6.66 -0.08 -1.26 -4.79 116.55 112.96 3fg0 n ASP 362 Ca 0.04 -0.04 -0.43 0.00 -1.51 0.00 0.00 54.79 52.84 3fg0 n ASP 362 Cb 0.48 0.07 -0.03 0.00 2.34 0.00 0.00 41.12 43.98 3fg0 n ASP 362 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 3fg0 n ARG 363 N -1.57 2.49 -0.02 -0.67 0.63 -1.26 -4.87 116.66 111.39 3fg0 n ARG 363 Ca 0.06 0.89 0.10 0.00 -0.92 0.00 0.00 57.85 57.98 3fg0 n ARG 363 Cb 0.35 -2.68 0.51 0.00 0.45 0.00 0.00 32.46 31.09 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 5.83 0.32 0.79 6.15 3.32 -2.02 0.02 116.42 130.84 3fg0 h ASP 364 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3fg0 h ASP 364 Cb 1.23 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3fg0 h ASP 364 CO 0.88 0.21 0.00 -0.90 -1.72 0.00 0.00 179.24 177.71 3fg0 n ASP 365 N -4.47 0.00 -0.80 6.45 5.75 -1.26 -2.70 116.55 119.52 3fg0 n ASP 365 Ca 0.07 0.50 0.12 0.00 -0.01 0.00 0.00 54.79 55.47 3fg0 n ASP 365 Cb 0.29 -0.50 0.15 0.00 -1.03 0.00 0.00 41.12 40.03 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 -1.50 2.59 0.23 -2.12 4.77 -0.01 -4.63 117.00 116.32 3fg0 n LEU 366 Ca 0.06 -0.87 0.08 0.00 -0.03 0.00 0.00 56.01 55.24 3fg0 n LEU 366 Cb 0.27 -0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.89 3fg0 n LEU 366 CO 0.21 0.44 0.85 0.11 -1.33 0.00 0.00 177.39 177.67 3fg0 h LYS 367 N 3.94 0.00 0.00 3.23 1.57 -1.47 -2.92 116.57 120.92 3fg0 h LYS 367 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fg0 h LYS 367 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.19 3fg0 h LYS 367 CO 0.00 0.23 -0.52 -0.25 -0.57 0.00 0.00 179.45 178.34 3fg0 n ASP 368 N -3.82 0.57 -4.98 0.86 8.00 -1.26 -4.93 116.55 110.98 3fg0 n ASP 368 Ca -0.02 0.01 -0.20 0.00 0.71 0.00 0.00 54.79 55.30 3fg0 n ASP 368 Cb 0.33 0.13 0.02 0.00 -0.02 0.00 0.00 41.12 41.57 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 -3.35 1.77 -0.86 0.44 0.00 -1.10 -3.84 107.32 100.38 3fg0 s GLY 369 Ca 0.09 -1.41 -0.06 0.00 0.00 0.00 0.00 44.72 43.34 3fg0 s GLY 369 CO 0.70 -1.22 2.86 1.04 0.00 0.00 0.00 173.10 176.48 3fg0 n LEU 370 N -2.00 7.16 -4.84 0.66 4.77 -0.64 -4.96 117.00 117.15 3fg0 n LEU 370 Ca 0.05 -4.21 -0.34 0.00 -0.03 0.00 0.00 56.01 51.49 3fg0 n LEU 370 Cb 0.59 -1.37 -0.06 0.00 -2.33 0.00 0.00 43.42 40.25 3fg0 n LEU 370 CO 0.43 1.90 0.35 -0.36 -1.33 0.00 0.00 177.39 178.37 3fg0 s PHE 371 N -0.28 3.50 -0.04 -1.77 0.40 -1.26 -0.56 117.98 117.97 3fg0 s PHE 371 Ca 0.61 1.17 -0.01 0.00 -0.60 0.00 0.00 56.93 58.10 3fg0 s PHE 371 Cb 0.27 -2.47 0.03 0.00 0.51 0.00 0.00 43.02 41.35 3fg0 s PHE 371 CO -0.11 0.25 0.08 0.12 0.70 0.00 0.00 175.22 176.26 3fg0 s PHE 372 N -1.74 -0.06 0.37 0.36 5.36 -1.26 -4.44 117.98 116.57 3fg0 s PHE 372 Ca 0.47 0.26 -0.28 0.00 -0.96 0.00 0.00 56.93 56.42 3fg0 s PHE 372 Cb -0.13 -0.12 -0.10 0.00 -0.34 0.00 0.00 43.02 42.33 3fg0 s PHE 372 CO 0.19 -0.10 1.36 -1.21 -1.46 0.00 0.00 175.22 174.01 3fg0 s GLU 373 N 0.85 4.16 0.34 10.12 2.02 -0.05 -4.90 118.70 131.23 3fg0 s GLU 373 Ca -0.07 2.32 -0.29 0.00 0.02 0.00 0.00 54.97 56.95 3fg0 s GLU 373 Cb -0.09 -2.95 -0.11 0.00 0.10 0.00 0.00 34.13 31.08 3fg0 s GLU 373 CO -0.03 -0.39 1.55 -1.25 0.02 0.00 0.00 175.26 175.16 3fg0 s PRO 374 N -2.02 4.10 -0.02 0.39 0.04 -1.26 -4.20 135.00 132.03 3fg0 s PRO 374 Ca 0.52 2.60 0.03 0.00 0.04 0.00 0.00 61.00 64.19 3fg0 s PRO 374 Cb -0.42 -2.99 -0.00 0.00 0.04 0.00 0.00 34.50 31.13 3fg0 s PRO 374 CO 0.55 -0.60 -0.10 0.99 0.04 0.00 0.00 177.00 177.88 3fg0 s THR 375 N -0.55 0.85 -0.15 1.26 2.01 0.27 -4.02 115.64 115.32 3fg0 s THR 375 Ca 0.58 -0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.18 3fg0 s THR 375 Cb -0.48 -0.74 0.01 0.00 0.01 0.00 0.00 72.50 71.31 3fg0 s THR 375 CO 0.56 0.26 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.85 3fg0 s VAL 376 N 0.03 1.99 -0.19 3.82 1.01 -0.96 -1.60 120.40 124.50 3fg0 s VAL 376 Ca -0.01 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.00 3fg0 s VAL 376 Cb -0.07 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 3fg0 s VAL 376 CO 0.00 0.53 -0.01 -0.63 0.00 0.00 0.00 175.10 174.99 3fg0 s ILE 377 N 0.98 3.89 0.48 2.22 1.01 -0.01 -0.74 121.20 129.02 3fg0 s ILE 377 Ca -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3fg0 s ILE 377 Cb -0.15 -2.74 -0.03 0.00 0.01 0.00 0.00 42.46 39.55 3fg0 s ILE 377 CO -0.05 0.45 0.00 0.42 0.00 0.00 0.00 174.94 175.76 3fg0 s THR 378 N 0.86 1.40 -1.35 2.92 -4.23 -0.14 -1.33 115.64 113.78 3fg0 s THR 378 Ca 0.00 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.47 3fg0 s THR 378 Cb -0.14 -2.41 0.02 0.00 1.34 0.00 0.00 72.50 71.31 3fg0 s THR 378 CO 0.02 0.00 0.86 0.59 -0.54 0.00 0.00 174.62 175.55 3fg0 n ASN 379 N -1.18 -2.63 -4.69 3.99 3.02 -1.26 -1.00 115.26 111.52 3fg0 n ASN 379 Ca -0.15 -0.75 -0.31 0.00 -0.03 0.00 0.00 54.58 53.34 3fg0 n ASN 379 Cb 0.67 -4.27 -0.09 0.00 -0.61 0.00 0.00 39.78 35.48 3fg0 n ASN 379 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg0 s ASP 381 N -3.80 -0.09 0.50 0.00 1.47 -1.26 -4.78 116.67 108.72 3fg0 s ASP 381 Ca 0.17 -0.79 0.34 0.00 1.18 0.00 0.00 52.55 53.44 3fg0 s ASP 381 Cb 0.05 0.53 1.72 0.00 -0.34 0.00 0.00 42.92 44.88 3fg0 s ASP 381 CO 0.09 -1.03 2.03 0.00 0.68 0.00 0.00 175.17 176.94 3fg0 h THR 382 N 2.34 0.00 0.00 2.11 1.03 -1.98 -1.40 112.91 115.02 3fg0 h THR 382 Ca -0.29 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.99 3fg0 h THR 382 Cb 1.25 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.28 3fg0 h THR 382 CO 0.41 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.38 3fg0 n SER 383 N -2.76 0.67 -4.79 0.00 3.41 -1.26 -4.60 113.62 104.30 3fg0 n SER 383 Ca -0.01 0.59 -0.36 0.00 -0.26 0.00 0.00 58.87 58.82 3fg0 n SER 383 Cb 0.12 -0.76 -0.06 0.00 -0.26 0.00 0.00 64.21 63.26 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 -3.13 4.40 0.32 4.33 -1.94 -0.53 -4.95 119.30 117.80 3fg0 s MET 384 Ca 0.10 1.33 0.00 0.00 -1.71 0.00 0.00 55.69 55.41 3fg0 s MET 384 Cb 0.12 -2.60 0.54 0.00 2.01 0.00 0.00 34.83 34.90 3fg0 s MET 384 CO 0.54 0.10 1.97 0.00 -0.01 0.00 0.00 175.02 177.62 3fg0 h ARG 385 N 2.73 0.91 0.00 2.03 3.08 -1.89 -1.72 114.38 119.51 3fg0 h ARG 385 Ca -0.48 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.47 3fg0 h ARG 385 Cb 1.20 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.05 3fg0 h ARG 385 CO 0.63 0.64 -0.13 0.97 -1.07 0.00 0.00 179.97 181.01 3fg0 h ILE 386 N 0.93 0.91 0.13 2.04 6.09 -1.91 0.03 117.51 125.73 3fg0 h ILE 386 Ca 0.24 -0.46 -0.33 0.00 -1.37 0.00 0.00 64.86 62.94 3fg0 h ILE 386 Cb -0.04 1.26 -0.01 0.00 0.47 0.00 0.00 36.82 38.50 3fg0 h ILE 386 CO -0.05 0.12 -1.71 0.58 -3.07 0.00 0.00 178.15 174.03 3fg0 h VAL 387 N 0.00 0.95 0.03 2.19 2.07 -1.74 -3.39 116.25 116.36 3fg0 h VAL 387 Ca -0.00 -2.61 -0.22 0.00 0.82 0.00 0.00 66.70 64.69 3fg0 h VAL 387 Cb 0.25 2.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 3fg0 h VAL 387 CO 0.02 0.82 -1.01 1.56 0.02 0.00 0.00 177.57 178.98 3fg0 h GLN 388 N 0.08 0.09 -5.98 1.57 1.08 -0.90 -3.47 115.11 107.57 3fg0 h GLN 388 Ca -0.31 -0.13 -0.63 0.00 -1.45 0.00 0.00 58.65 56.13 3fg0 h GLN 388 Cb 2.05 0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 29.47 3fg0 h GLN 388 CO 0.15 1.01 -0.53 -1.21 -0.95 0.00 0.00 178.83 177.30 3fg0 s GLU 389 N -2.83 3.28 -0.37 1.46 2.02 -0.04 -4.80 118.70 117.42 3fg0 s GLU 389 Ca -0.01 -0.50 -0.28 0.00 0.02 0.00 0.00 54.97 54.20 3fg0 s GLU 389 Cb 0.10 -2.95 0.02 0.00 0.10 0.00 0.00 34.13 31.39 3fg0 s GLU 389 CO 0.83 0.60 1.06 -2.00 0.02 0.00 0.00 175.26 175.78 3fg0 s GLU 390 N -2.40 3.94 -0.05 1.61 2.12 -1.26 -4.88 118.70 117.76 3fg0 s GLU 390 Ca 0.32 0.85 -0.01 0.00 0.36 0.00 0.00 54.97 56.49 3fg0 s GLU 390 Cb -0.13 -3.79 -0.26 0.00 0.26 0.00 0.00 34.13 30.21 3fg0 s GLU 390 CO 0.25 -1.03 0.63 0.28 -0.54 0.00 0.00 175.26 174.85 3fg0 h VAL 391 N 5.87 0.88 -5.21 3.70 2.07 -1.91 -3.49 116.25 118.16 3fg0 h VAL 391 Ca -0.22 -2.60 -0.36 0.00 0.82 0.00 0.00 66.70 64.34 3fg0 h VAL 391 Cb 1.06 2.58 0.12 0.00 -1.52 0.00 0.00 31.29 33.53 3fg0 h VAL 391 CO 1.05 0.77 -0.61 0.33 0.02 0.00 0.00 177.57 179.13 3fg0 n PHE 392 N -3.37 -2.51 -4.14 1.57 7.35 -1.26 -4.75 117.46 110.35 3fg0 n PHE 392 Ca -0.22 0.86 -0.09 0.00 -0.76 0.00 0.00 57.45 57.24 3fg0 n PHE 392 Cb 1.05 -4.60 -0.03 0.00 0.35 0.00 0.00 39.48 36.25 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 -1.82 3.62 2.70 7.13 0.00 -1.22 -4.18 105.19 111.42 3fg0 n GLY 393 Ca -0.01 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 3fg0 n GLY 393 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3fg0 n PRO 394 N -0.29 3.45 -3.77 1.61 -0.04 -0.14 -4.11 135.00 131.71 3fg0 n PRO 394 Ca 0.02 -3.00 -0.15 0.00 -0.04 0.00 0.00 63.50 60.33 3fg0 n PRO 394 Cb 0.25 -3.01 -0.16 0.00 -0.04 0.00 0.00 33.50 30.54 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 1.50 -0.06 0.12 0.52 1.01 -1.26 -0.56 120.40 121.67 3fg0 s VAL 395 Ca 0.48 0.21 0.09 0.00 0.00 0.00 0.00 61.98 62.76 3fg0 s VAL 395 Cb 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.39 3fg0 s VAL 395 CO -0.05 0.09 -0.21 0.68 0.00 0.00 0.00 175.10 175.60 3fg0 s VAL 396 N 1.06 1.82 0.12 2.92 -7.23 -0.63 -4.65 120.40 113.80 3fg0 s VAL 396 Ca -0.09 -1.65 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3fg0 s VAL 396 Cb -0.13 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 3fg0 s VAL 396 CO -0.03 -0.09 0.04 0.42 -0.31 0.00 0.00 175.10 175.13 3fg0 s THR 397 N -1.32 4.14 -0.13 5.32 -4.23 0.03 -0.83 115.64 118.61 3fg0 s THR 397 Ca 0.09 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.57 3fg0 s THR 397 Cb -0.09 -3.02 0.02 0.00 1.34 0.00 0.00 72.50 70.74 3fg0 s THR 397 CO 0.05 0.04 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.33 3fg0 s VAL 398 N -1.48 1.57 0.09 2.29 1.01 -0.44 -1.16 120.40 122.28 3fg0 s VAL 398 Ca 0.28 -0.66 0.10 0.00 0.00 0.00 0.00 61.98 61.69 3fg0 s VAL 398 Cb -0.11 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 3fg0 s VAL 398 CO 0.20 0.46 -0.25 -1.61 0.00 0.00 0.00 175.10 173.89 3fg0 s GLU 399 N 1.18 1.48 0.26 2.72 2.02 -0.22 -4.24 118.70 121.90 3fg0 s GLU 399 Ca -0.02 -1.20 0.04 0.00 0.02 0.00 0.00 54.97 53.80 3fg0 s GLU 399 Cb -0.14 -1.80 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 3fg0 s GLU 399 CO -0.05 0.44 0.41 0.20 0.02 0.00 0.00 175.26 176.28 3fg0 s GLY 400 N -1.69 1.28 -0.01 -1.39 0.00 -1.26 -0.67 107.32 103.58 3fg0 s GLY 400 Ca 0.11 -1.13 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 3fg0 s GLY 400 CO 0.04 -1.12 0.19 -0.11 0.00 0.00 0.00 173.10 172.10 3fg0 s PHE 401 N -2.06 -0.04 -0.14 1.90 -0.12 -0.85 -4.81 117.98 111.86 3fg0 s PHE 401 Ca 0.36 0.02 -0.14 0.00 -0.05 0.00 0.00 56.93 57.12 3fg0 s PHE 401 Cb -0.09 -0.00 -0.24 0.00 -0.63 0.00 0.00 43.02 42.05 3fg0 s PHE 401 CO 0.31 -0.30 0.37 1.49 -0.05 0.00 0.00 175.22 177.04 3fg0 h GLU 402 N 4.29 0.17 -5.35 1.99 4.57 -1.95 0.44 114.58 118.75 3fg0 h GLU 402 Ca -0.30 -0.30 -0.44 0.00 -1.18 0.00 0.00 59.36 57.14 3fg0 h GLU 402 Cb 1.19 0.11 -0.14 0.00 -0.16 0.00 0.00 28.75 29.75 3fg0 h GLU 402 CO 0.40 1.14 -0.68 0.95 -1.18 0.00 0.00 179.01 179.64 3fg0 s THR 403 N -2.47 1.44 0.25 0.32 -4.23 -1.26 -4.75 115.64 104.94 3fg0 s THR 403 Ca -0.24 -2.11 -0.03 0.00 -1.18 0.00 0.00 61.69 58.13 3fg0 s THR 403 Cb 0.06 -2.29 0.23 0.00 1.34 0.00 0.00 72.50 71.84 3fg0 s THR 403 CO 0.71 -0.40 1.71 -0.08 -0.54 0.00 0.00 174.62 176.02 3fg0 h GLU 404 N 2.43 0.36 -0.74 3.99 4.81 -1.99 -1.02 114.58 122.42 3fg0 h GLU 404 Ca -0.39 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 3fg0 h GLU 404 Cb 1.22 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3fg0 h GLU 404 CO 0.65 0.24 0.32 1.96 -0.73 0.00 0.00 179.01 181.45 3fg0 h GLN 405 N 0.38 1.07 -0.20 1.92 7.50 -2.00 -1.97 115.11 121.81 3fg0 h GLN 405 Ca 0.43 -0.17 -0.20 0.00 0.50 0.00 0.00 58.65 59.22 3fg0 h GLN 405 Cb 0.72 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 28.06 3fg0 h GLN 405 CO -0.46 0.85 -0.66 1.49 -1.50 0.00 0.00 178.83 178.55 3fg0 h GLU 406 N 1.06 0.74 -0.53 1.46 4.81 -1.81 -2.43 114.58 117.89 3fg0 h GLU 406 Ca 0.25 -0.54 0.07 0.00 -0.13 0.00 0.00 59.36 59.01 3fg0 h GLU 406 Cb 0.16 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3fg0 h GLU 406 CO -0.03 1.16 0.22 0.00 -0.73 0.00 0.00 179.01 179.63 3fg0 h ALA 407 N 0.71 0.67 -0.33 2.92 0.00 -0.87 -0.30 119.26 122.05 3fg0 h ALA 407 Ca -0.02 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 407 Cb 1.27 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3fg0 h ALA 407 CO 0.14 -0.16 0.02 0.82 0.00 0.00 0.00 179.25 180.06 3fg0 h ILE 408 N 0.42 1.25 -0.87 0.00 2.04 -1.36 -1.30 117.51 117.70 3fg0 h ILE 408 Ca 0.25 -0.91 -0.02 0.00 1.00 0.00 0.00 64.86 65.18 3fg0 h ILE 408 Cb 0.24 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 3fg0 h ILE 408 CO -0.23 0.30 0.48 1.56 0.00 0.00 0.00 178.15 180.26 3fg0 h GLN 409 N 0.38 1.21 -0.12 2.37 4.20 -1.06 -1.37 115.11 120.73 3fg0 h GLN 409 Ca 0.10 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.62 3fg0 h GLN 409 Cb 0.41 -0.24 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 3fg0 h GLN 409 CO 0.01 0.88 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.86 3fg0 h LEU 410 N 1.22 0.31 -1.18 1.46 3.38 -0.95 -2.87 115.31 116.68 3fg0 h LEU 410 Ca 0.31 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.82 3fg0 h LEU 410 Cb 0.02 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.64 3fg0 h LEU 410 CO -0.05 0.74 0.56 0.00 0.09 0.00 0.00 178.44 179.79 3fg0 h ALA 411 N 0.58 1.46 -0.00 1.53 0.00 -1.00 -1.17 119.26 120.66 3fg0 h ALA 411 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3fg0 h ALA 411 Cb 0.66 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3fg0 h ALA 411 CO 0.03 0.46 -0.06 0.09 0.00 0.00 0.00 179.25 179.77 3fg0 n ASN 412 N -4.44 0.09 -3.84 0.00 5.03 -0.54 -4.49 115.26 107.08 3fg0 n ASN 412 Ca 0.11 0.14 -0.42 0.00 0.87 0.00 0.00 54.58 55.28 3fg0 n ASN 412 Cb 0.10 -0.33 0.00 0.00 -1.02 0.00 0.00 39.78 38.53 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 -1.38 4.69 -3.75 6.41 2.03 -0.44 -4.84 116.55 119.26 3fg0 n ASP 413 Ca 0.10 -3.02 -0.09 0.00 0.52 0.00 0.00 54.79 52.30 3fg0 n ASP 413 Cb 0.30 -1.54 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 3fg0 n ASP 413 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3fg0 s SER 414 N 1.71 -0.30 0.00 1.67 1.04 -1.26 -4.97 113.70 111.59 3fg0 s SER 414 Ca 0.42 -0.48 0.30 0.00 0.48 0.00 0.00 55.95 56.67 3fg0 s SER 414 Cb 0.11 0.64 1.38 0.00 0.10 0.00 0.00 66.02 68.24 3fg0 s SER 414 CO -0.03 -1.15 1.96 2.30 0.98 0.00 0.00 173.24 177.31 3fg0 n ILE 415 N -0.39 0.00 -3.00 -1.02 -5.35 -1.26 -4.92 119.36 103.42 3fg0 n ILE 415 Ca -0.08 -0.02 -0.19 0.00 -0.27 0.00 0.00 62.75 62.19 3fg0 n ILE 415 Cb 0.62 -0.35 0.04 0.00 -1.74 0.00 0.00 39.64 38.21 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 -2.59 1.98 -0.28 4.28 2.02 -1.26 -1.07 117.35 120.42 3fg0 s TYR 416 Ca 0.27 -0.56 0.05 0.00 -0.37 0.00 0.00 57.07 56.45 3fg0 s TYR 416 Cb 0.20 -2.32 0.19 0.00 -0.40 0.00 0.00 41.96 39.63 3fg0 s TYR 416 CO 0.48 -0.90 1.11 0.41 -1.57 0.00 0.00 175.55 175.09 3fg0 n GLY 417 N -2.12 0.20 0.07 0.71 0.00 -1.20 -4.75 105.19 98.09 3fg0 n GLY 417 Ca 0.13 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 3fg0 n GLY 417 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3fg0 n LEU 418 N -0.62 1.72 -3.76 0.99 7.94 -1.26 -0.30 117.00 121.71 3fg0 n LEU 418 Ca -0.15 0.54 -0.10 0.00 -1.11 0.00 0.00 56.01 55.20 3fg0 n LEU 418 Cb 0.71 -0.82 -0.05 0.00 0.53 0.00 0.00 43.42 43.79 3fg0 n LEU 418 CO -0.09 -0.43 0.15 0.00 -1.11 0.00 0.00 177.39 175.90 3fg0 s ALA 419 N -2.79 -0.69 -0.02 1.96 0.00 -1.26 -1.98 121.76 116.99 3fg0 s ALA 419 Ca -0.17 -0.34 -0.30 0.00 0.00 0.00 0.00 51.96 51.16 3fg0 s ALA 419 Cb 0.02 0.78 0.11 0.00 0.00 0.00 0.00 23.12 24.04 3fg0 s ALA 419 CO 0.25 -0.70 1.29 0.20 0.00 0.00 0.00 175.76 176.80 3fg0 s GLY 420 N -2.87 -0.33 0.09 0.00 0.00 -0.80 -3.82 107.32 99.58 3fg0 s GLY 420 Ca 0.09 0.51 0.03 0.00 0.00 0.00 0.00 44.72 45.35 3fg0 s GLY 420 CO -0.06 1.65 -0.09 0.00 0.00 0.00 0.00 173.10 174.60 3fg0 s ALA 421 N -2.29 1.00 -0.10 3.20 0.00 -0.18 -1.08 121.76 122.31 3fg0 s ALA 421 Ca 0.18 -1.15 0.00 0.00 0.00 0.00 0.00 51.96 51.00 3fg0 s ALA 421 Cb 0.03 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3fg0 s ALA 421 CO -0.03 -0.07 -0.10 0.08 0.00 0.00 0.00 175.76 175.64 3fg0 s VAL 422 N -2.48 1.11 -0.26 0.00 1.01 -0.04 -0.84 120.40 118.91 3fg0 s VAL 422 Ca 0.04 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3fg0 s VAL 422 Cb -0.03 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 3fg0 s VAL 422 CO -0.01 0.37 0.04 -0.36 0.00 0.00 0.00 175.10 175.14 3fg0 s PHE 423 N 1.37 3.07 -0.27 5.22 0.08 0.10 -1.06 117.98 126.49 3fg0 s PHE 423 Ca -0.01 -0.82 -0.26 0.00 0.12 0.00 0.00 56.93 55.97 3fg0 s PHE 423 Cb -0.14 -2.20 0.12 0.00 -0.57 0.00 0.00 43.02 40.23 3fg0 s PHE 423 CO -0.05 -0.51 0.99 0.45 -0.10 0.00 0.00 175.22 176.01 3fg0 s SER 424 N 1.52 -0.48 0.09 1.36 0.15 -1.26 -1.81 113.70 113.27 3fg0 s SER 424 Ca 0.05 0.88 0.28 0.00 0.70 0.00 0.00 55.95 57.86 3fg0 s SER 424 Cb -0.16 0.88 1.06 0.00 -1.71 0.00 0.00 66.02 66.09 3fg0 s SER 424 CO 0.01 -0.19 1.86 0.29 1.20 0.00 0.00 173.24 176.42 3fg0 n LYS 425 N 2.10 0.11 -2.70 5.44 5.02 -0.54 -4.39 118.16 123.21 3fg0 n LYS 425 Ca -0.12 0.09 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 3fg0 n LYS 425 Cb 0.56 -1.63 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 3fg0 n LYS 425 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3fg0 s ASP 426 N -3.63 6.43 0.33 4.39 -1.08 -1.26 -4.85 116.67 116.99 3fg0 s ASP 426 Ca 0.13 -1.38 0.08 0.00 -0.52 0.00 0.00 52.55 50.85 3fg0 s ASP 426 Cb 0.16 -2.50 0.58 0.00 -1.46 0.00 0.00 42.92 39.70 3fg0 s ASP 426 CO 0.56 -1.43 1.78 0.40 0.52 0.00 0.00 175.17 177.00 3fg0 h ILE 427 N 6.29 1.26 -0.29 4.11 1.08 -2.00 -1.03 117.51 126.94 3fg0 h ILE 427 Ca 0.04 -1.25 0.03 0.00 -0.39 0.00 0.00 64.86 63.29 3fg0 h ILE 427 Cb 1.03 1.51 -0.03 0.00 -3.07 0.00 0.00 36.82 36.26 3fg0 h ILE 427 CO 1.28 0.38 0.09 1.23 -0.69 0.00 0.00 178.15 180.44 3fg0 h GLY 428 N 1.05 0.35 0.93 5.37 0.00 -1.95 -0.32 103.07 108.51 3fg0 h GLY 428 Ca 0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.26 3fg0 h GLY 428 CO 0.05 0.02 0.07 1.70 0.00 0.00 0.00 176.54 178.38 3fg0 h LYS 429 N 0.21 0.65 -1.00 4.80 3.64 -1.86 -1.96 116.57 121.06 3fg0 h LYS 429 Ca 0.13 -0.17 0.05 0.00 -1.27 0.00 0.00 60.65 59.39 3fg0 h LYS 429 Cb 0.11 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.79 3fg0 h LYS 429 CO -0.14 0.70 0.65 0.00 -2.27 0.00 0.00 179.45 178.39 3fg0 h ALA 430 N 0.92 1.38 -0.64 5.00 0.00 -0.93 -1.33 119.26 123.66 3fg0 h ALA 430 Ca 0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fg0 h ALA 430 Cb 0.36 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3fg0 h ALA 430 CO 0.01 0.51 0.07 1.96 0.00 0.00 0.00 179.25 181.79 3fg0 h GLN 431 N 1.22 1.07 -0.58 0.00 1.08 -0.78 0.67 115.11 117.79 3fg0 h GLN 431 Ca 0.41 -0.30 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3fg0 h GLN 431 Cb 0.07 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.36 3fg0 h GLN 431 CO -0.14 1.00 0.38 0.00 -0.95 0.00 0.00 178.83 179.12 3fg0 h ARG 432 N 0.99 0.76 -0.18 1.46 3.08 -0.70 -1.40 114.38 118.39 3fg0 h ARG 432 Ca 0.19 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.17 3fg0 h ARG 432 Cb 0.47 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3fg0 h ARG 432 CO 0.02 0.50 0.03 0.28 -1.07 0.00 0.00 179.97 179.73 3fg0 h VAL 433 N 0.78 1.23 -0.96 2.04 2.07 -1.00 -2.93 116.25 117.48 3fg0 h VAL 433 Ca 0.21 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 67.07 3fg0 h VAL 433 Cb -0.09 1.37 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3fg0 h VAL 433 CO -0.05 0.23 0.62 0.00 0.02 0.00 0.00 177.57 178.39 3fg0 h ALA 434 N 0.82 1.50 0.00 1.67 0.00 -0.68 -0.82 119.26 121.75 3fg0 h ALA 434 Ca 0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 434 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fg0 h ALA 434 CO 0.00 0.33 -0.26 -0.91 0.00 0.00 0.00 179.25 178.42 3fg0 h ASN 435 N 1.05 0.00 0.40 0.00 2.35 -1.09 -3.05 115.58 115.24 3fg0 h ASN 435 Ca 0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.18 3fg0 h ASN 435 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3fg0 h ASN 435 CO -0.19 0.26 -0.64 0.29 -1.65 0.00 0.00 177.43 175.50 3fg0 n LYS 436 N -3.73 0.03 -2.67 0.81 5.02 -0.37 -4.91 118.16 112.33 3fg0 n LYS 436 Ca -0.01 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.86 3fg0 n LYS 436 Cb 0.36 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.83 3fg0 n LYS 436 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3fg0 s LEU 437 N -3.09 4.41 -1.30 -0.35 1.43 -0.84 -4.95 118.68 114.00 3fg0 s LEU 437 Ca 0.10 1.76 -0.12 0.00 -1.03 0.00 0.00 54.13 54.83 3fg0 s LEU 437 Cb 0.17 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.94 3fg0 s LEU 437 CO 0.74 -0.23 1.81 0.29 0.23 0.00 0.00 176.35 179.19 3fg0 n LYS 438 N 3.52 3.36 -3.87 1.70 5.02 -1.26 -4.90 118.16 121.73 3fg0 n LYS 438 Ca 0.05 -3.41 -0.12 0.00 -2.02 0.00 0.00 58.31 52.82 3fg0 n LYS 438 Cb 0.50 -3.09 -0.13 0.00 -0.02 0.00 0.00 35.03 32.29 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 1.28 1.78 0.38 -0.35 1.43 -1.26 -4.40 118.68 117.54 3fg0 s LEU 439 Ca 0.44 0.02 0.14 0.00 -1.03 0.00 0.00 54.13 53.69 3fg0 s LEU 439 Cb 0.06 0.27 0.75 0.00 0.03 0.00 0.00 46.19 47.31 3fg0 s LEU 439 CO -0.00 -0.10 1.83 1.23 0.23 0.00 0.00 176.35 179.53 3fg0 h GLY 440 N 5.65 0.00 -6.05 -3.19 0.00 -0.81 -3.42 103.07 95.24 3fg0 h GLY 440 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.72 3fg0 h GLY 440 CO 0.45 0.00 -0.75 -1.59 0.00 0.00 0.00 176.54 174.65 3fg0 s THR 441 N -4.14 0.29 -0.11 4.70 2.01 -0.84 -4.78 115.64 112.77 3fg0 s THR 441 Ca -0.03 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3fg0 s THR 441 Cb 0.14 -0.33 0.02 0.00 0.01 0.00 0.00 72.50 72.34 3fg0 s THR 441 CO 0.72 0.14 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.95 3fg0 s VAL 442 N 0.64 1.48 -0.18 3.82 1.01 -1.26 -1.91 120.40 124.00 3fg0 s VAL 442 Ca -0.07 -0.62 -0.11 0.00 0.00 0.00 0.00 61.98 61.18 3fg0 s VAL 442 Cb -0.10 -1.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 3fg0 s VAL 442 CO -0.01 0.44 0.17 0.26 0.00 0.00 0.00 175.10 175.96 3fg0 s TRP 443 N 1.07 3.44 -0.29 5.22 0.51 -0.24 -5.00 118.94 123.65 3fg0 s TRP 443 Ca -0.05 0.41 -0.11 0.00 -2.12 0.00 0.00 56.10 54.24 3fg0 s TRP 443 Cb -0.15 -2.18 -0.04 0.00 -0.81 0.00 0.00 33.47 30.30 3fg0 s TRP 443 CO -0.03 0.33 0.18 0.42 -0.51 0.00 0.00 176.95 177.34 3fg0 s ILE 444 N 0.23 5.09 -1.41 2.03 1.01 -1.26 -0.86 121.20 126.03 3fg0 s ILE 444 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 3fg0 s ILE 444 Cb -0.12 -3.47 0.04 0.00 0.01 0.00 0.00 42.46 38.93 3fg0 s ILE 444 CO -0.00 0.20 0.96 0.59 0.00 0.00 0.00 174.94 176.69 3fg0 n ASN 445 N 5.04 -3.99 -3.72 3.58 3.02 -0.23 -4.98 115.26 113.99 3fg0 n ASN 445 Ca -0.14 -0.73 -0.06 0.00 -0.03 0.00 0.00 54.58 53.62 3fg0 n ASN 445 Cb 0.51 -4.26 -0.01 0.00 -0.61 0.00 0.00 39.78 35.41 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 -3.66 -0.20 -0.16 6.41 -1.08 -1.26 -5.08 116.67 111.63 3fg0 s ASP 446 Ca 0.43 -0.64 -0.10 0.00 -0.52 0.00 0.00 52.55 51.72 3fg0 s ASP 446 Cb -0.21 0.69 0.05 0.00 -1.46 0.00 0.00 42.92 42.00 3fg0 s ASP 446 CO 0.80 -1.29 0.40 0.12 0.52 0.00 0.00 175.17 175.71 3fg0 s PHE 447 N -3.56 -0.54 0.00 -5.34 5.36 -1.26 -4.73 117.98 107.91 3fg0 s PHE 447 Ca 0.12 1.20 0.00 0.00 -0.96 0.00 0.00 56.93 57.29 3fg0 s PHE 447 Cb -0.05 0.22 0.00 0.00 -0.34 0.00 0.00 43.02 42.85 3fg0 s PHE 447 CO 0.07 -0.30 0.00 0.72 -1.46 0.00 0.00 175.22 174.25 3fg0 n HIS 448 N 3.88 0.00 -1.69 10.12 8.25 -1.26 -4.92 115.22 129.60 3fg0 n HIS 448 Ca -0.21 0.00 -0.44 0.00 -0.26 0.00 0.00 57.72 56.81 3fg0 n HIS 448 Cb 0.56 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.63 3fg0 n HIS 448 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 3fg0 n PRO 449 N -1.64 2.53 -3.93 -0.41 -0.02 -1.26 -4.99 135.00 125.27 3fg0 n PRO 449 Ca 0.00 0.92 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 3fg0 n PRO 449 Cb 0.00 -2.75 -0.10 0.00 -0.02 0.00 0.00 33.50 30.63 3fg0 n PRO 449 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3fg0 s TYR 450 N 1.75 0.17 0.10 6.00 -0.85 -1.26 -5.06 117.35 118.19 3fg0 s TYR 450 Ca 0.80 -0.37 -0.25 0.00 -0.52 0.00 0.00 57.07 56.72 3fg0 s TYR 450 Cb -0.57 -0.13 0.08 0.00 0.38 0.00 0.00 41.96 41.71 3fg0 s TYR 450 CO 0.37 -0.24 0.66 -0.59 -1.52 0.00 0.00 175.55 174.23 3fg0 s PHE 451 N -1.50 -0.53 0.57 -3.49 -0.12 -1.26 -5.05 117.98 106.60 3fg0 s PHE 451 Ca -0.15 0.46 0.27 0.00 -0.05 0.00 0.00 56.93 57.47 3fg0 s PHE 451 Cb -0.09 0.53 1.58 0.00 -0.63 0.00 0.00 43.02 44.41 3fg0 s PHE 451 CO -0.00 -0.76 2.09 0.00 -0.05 0.00 0.00 175.22 176.50 3fg0 h ALA 452 N 2.19 1.93 0.00 1.99 0.00 -1.93 -2.04 119.26 121.40 3fg0 h ALA 452 Ca -0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3fg0 h ALA 452 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3fg0 h ALA 452 CO 0.37 -0.33 0.00 1.96 0.00 0.00 0.00 179.25 181.25 3fg0 h GLN 453 N 0.00 0.00 -5.23 0.00 7.50 -1.95 0.24 115.11 115.67 3fg0 h GLN 453 Ca 0.10 0.00 -0.53 0.00 0.50 0.00 0.00 58.65 58.73 3fg0 h GLN 453 Cb 0.53 0.00 -0.31 0.00 0.05 0.00 0.00 27.48 27.75 3fg0 h GLN 453 CO -0.00 0.00 -0.82 0.00 -1.50 0.00 0.00 178.83 176.50 3fg0 s ALA 454 N -3.45 1.35 0.43 3.87 0.00 -0.77 -4.50 121.76 118.69 3fg0 s ALA 454 Ca 0.04 -0.62 -0.25 0.00 0.00 0.00 0.00 51.96 51.12 3fg0 s ALA 454 Cb 0.09 -0.42 -0.08 0.00 0.00 0.00 0.00 23.12 22.70 3fg0 s ALA 454 CO 0.50 0.27 1.27 -1.25 0.00 0.00 0.00 175.76 176.55 3fg0 s PRO 455 N -0.05 3.87 -0.07 0.00 0.04 -1.25 -4.02 135.00 133.51 3fg0 s PRO 455 Ca -0.01 2.08 0.03 0.00 0.04 0.00 0.00 61.00 63.13 3fg0 s PRO 455 Cb -0.09 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.80 3fg0 s PRO 455 CO 0.01 -0.55 -0.15 -0.46 0.04 0.00 0.00 177.00 175.90 3fg0 s TRP 456 N -1.32 1.70 0.00 0.56 -0.11 0.74 -4.91 118.94 115.60 3fg0 s TRP 456 Ca 0.59 -0.66 0.00 0.00 1.22 0.00 0.00 56.10 57.25 3fg0 s TRP 456 Cb -0.36 -1.21 0.00 0.00 -1.50 0.00 0.00 33.47 30.40 3fg0 s TRP 456 CO 0.46 -0.32 0.00 0.41 -4.62 0.00 0.00 176.95 172.88 3fg0 n GLY 457 N 3.79 -0.69 3.53 5.86 0.00 -1.26 -1.01 105.19 115.41 3fg0 n GLY 457 Ca -0.22 -1.12 -0.28 0.00 0.00 0.00 0.00 46.02 44.40 3fg0 n GLY 457 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fg0 s GLY 458 N 0.00 1.72 0.66 -0.02 0.00 -1.26 -3.69 107.32 104.73 3fg0 s GLY 458 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 44.72 43.20 3fg0 s GLY 458 CO 0.00 -1.43 1.01 -0.19 0.00 0.00 0.00 173.10 172.49 3fg0 s TYR 459 N -1.46 3.29 0.00 1.90 4.12 0.59 -4.13 117.35 121.66 3fg0 s TYR 459 Ca 0.22 0.87 0.00 0.00 0.02 0.00 0.00 57.07 58.18 3fg0 s TYR 459 Cb -0.10 -2.93 0.00 0.00 -1.52 0.00 0.00 41.96 37.41 3fg0 s TYR 459 CO 0.13 -1.03 0.00 1.63 0.02 0.00 0.00 175.55 176.30 3fg0 n LYS 460 N -2.83 0.00 -0.02 -0.62 5.02 -1.26 -1.87 118.16 116.57 3fg0 n LYS 460 Ca 0.06 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 3fg0 n LYS 460 Cb 0.57 0.00 0.48 0.00 -0.02 0.00 0.00 35.03 36.07 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 1.22 0.03 1.97 6.02 -0.23 -3.34 117.38 137.04 3fg0 n GLN 461 Ca 0.00 -0.33 0.12 0.00 -0.01 0.00 0.00 57.00 56.78 3fg0 n GLN 461 Cb 0.00 -1.31 0.50 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.45 0.19 0.00 1.08 7.64 -0.78 -4.69 113.62 116.60 3fg0 n SER 462 Ca 0.14 0.53 0.00 0.00 1.01 0.00 0.00 58.87 60.55 3fg0 n SER 462 Cb 0.14 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 3fg0 n SER 462 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3fg0 n GLY 463 N 0.96 -1.42 2.82 0.23 0.00 -1.21 -0.61 105.19 105.97 3fg0 n GLY 463 Ca 0.05 -1.34 -0.19 0.00 0.00 0.00 0.00 46.02 44.54 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 -2.63 0.31 0.00 -0.61 1.01 -0.46 -4.65 121.20 114.17 3fg0 s ILE 464 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 3fg0 s ILE 464 Cb 0.00 -0.41 0.00 0.00 0.01 0.00 0.00 42.46 42.06 3fg0 s ILE 464 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 3fg0 n GLY 465 N 4.38 -2.50 3.14 6.18 0.00 -1.26 -0.82 105.19 114.31 3fg0 n GLY 465 Ca -0.21 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.44 0.76 0.20 1.61 1.81 -1.26 -4.37 118.95 117.26 3fg0 s ARG 466 Ca 0.00 -1.07 0.11 0.00 -1.72 0.00 0.00 55.73 53.04 3fg0 s ARG 466 Cb 0.00 -0.42 -0.04 0.00 -0.45 0.00 0.00 34.95 34.03 3fg0 s ARG 466 CO 0.00 0.06 -0.19 -1.21 -0.68 0.00 0.00 175.30 173.28 3fg0 s GLU 467 N -2.61 1.69 0.23 3.54 2.02 -0.18 -4.22 118.70 119.17 3fg0 s GLU 467 Ca 0.02 -1.48 0.00 0.00 0.02 0.00 0.00 54.97 53.53 3fg0 s GLU 467 Cb -0.04 -1.93 0.00 0.00 0.10 0.00 0.00 34.13 32.27 3fg0 s GLU 467 CO -0.01 0.40 0.00 1.28 0.02 0.00 0.00 175.26 176.95 3fg0 n LEU 468 N 0.09 -0.38 0.00 1.80 4.77 -1.26 -0.18 117.00 121.83 3fg0 n LEU 468 Ca -0.11 0.89 0.03 0.00 -0.03 0.00 0.00 56.01 56.79 3fg0 n LEU 468 Cb 0.56 -1.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.32 3fg0 n LEU 468 CO 0.32 -0.90 -0.04 0.61 -1.33 0.00 0.00 177.39 176.05 3fg0 n GLY 469 N -2.98 -1.54 0.33 -0.72 0.00 0.83 -0.70 105.19 100.41 3fg0 n GLY 469 Ca -0.03 -1.20 -0.06 0.00 0.00 0.00 0.00 46.02 44.74 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 1.15 -0.49 1.61 1.57 -1.85 -2.37 116.57 116.19 3fg0 h LYS 470 Ca 0.00 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3fg0 h LYS 470 Cb 0.19 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 3fg0 h LYS 470 CO 0.00 0.92 0.27 0.93 -0.57 0.00 0.00 179.45 181.00 3fg0 h GLU 471 N 1.13 0.67 -0.57 3.15 5.08 -1.95 -1.68 114.58 120.39 3fg0 h GLU 471 Ca 0.26 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 3fg0 h GLU 471 Cb 0.18 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3fg0 h GLU 471 CO -0.03 0.49 0.18 0.78 -1.00 0.00 0.00 179.01 179.44 3fg0 h GLY 472 N 0.74 0.95 1.06 -3.84 0.00 -0.41 -2.49 103.07 99.07 3fg0 h GLY 472 Ca 0.17 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3fg0 h GLY 472 CO -0.03 0.52 0.48 -2.00 0.00 0.00 0.00 176.54 175.51 3fg0 h LEU 473 N 0.79 1.11 -2.33 3.11 5.85 -1.05 -2.92 115.31 119.87 3fg0 h LEU 473 Ca 0.18 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3fg0 h LEU 473 Cb 0.27 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 3fg0 h LEU 473 CO -0.01 0.89 -0.04 -0.33 -0.34 0.00 0.00 178.44 178.61 3fg0 h GLU 474 N 1.24 0.00 0.00 1.25 5.08 -0.87 -0.27 114.58 121.01 3fg0 h GLU 474 Ca 0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.66 3fg0 h GLU 474 Cb 0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3fg0 h GLU 474 CO -0.05 0.04 -0.05 0.93 -1.00 0.00 0.00 179.01 178.88 3fg0 h GLU 475 N 0.00 0.00 -0.67 2.33 4.39 -1.33 -2.50 114.58 116.80 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 0.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3fg0 h GLU 475 CO 0.01 0.05 0.00 0.66 -1.16 0.00 0.00 179.01 178.57 3fg0 n TYR 476 N -3.98 1.19 -4.38 4.33 4.01 -0.11 -4.88 117.16 113.34 3fg0 n TYR 476 Ca -0.03 -0.51 -0.23 0.00 -0.16 0.00 0.00 57.90 56.97 3fg0 n TYR 476 Cb 0.14 -0.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.93 3fg0 n TYR 476 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fg0 s LEU 477 N -1.41 2.48 0.01 7.72 1.43 -0.94 -1.05 118.68 126.91 3fg0 s LEU 477 Ca 0.47 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3fg0 s LEU 477 Cb 0.28 -0.93 -0.01 0.00 0.03 0.00 0.00 46.19 45.56 3fg0 s LEU 477 CO 0.27 -0.01 -0.08 0.54 0.23 0.00 0.00 176.35 177.30 3fg0 s VAL 478 N -2.17 0.65 -0.05 -1.59 0.11 0.12 -4.58 120.40 112.88 3fg0 s VAL 478 Ca 0.20 -0.51 -0.15 0.00 -2.93 0.00 0.00 61.98 58.59 3fg0 s VAL 478 Cb -0.05 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.17 3fg0 s VAL 478 CO 0.09 0.07 0.39 -0.44 -3.33 0.00 0.00 175.10 171.88 3fg0 s SER 479 N -0.50 6.71 -0.12 3.54 0.01 -1.26 -0.47 113.70 121.61 3fg0 s SER 479 Ca 0.01 0.85 0.01 0.00 1.31 0.00 0.00 55.95 58.13 3fg0 s SER 479 Cb -0.05 -2.24 0.02 0.00 0.21 0.00 0.00 66.02 63.96 3fg0 s SER 479 CO 0.00 0.23 -0.14 -0.75 0.41 0.00 0.00 173.24 172.99 3fg0 s LYS 480 N -0.52 2.17 -0.42 12.44 2.20 0.00 -4.97 119.74 130.65 3fg0 s LYS 480 Ca 0.23 -0.53 -0.23 0.00 -0.36 0.00 0.00 55.97 55.08 3fg0 s LYS 480 Cb -0.16 -1.92 0.02 0.00 -1.51 0.00 0.00 37.83 34.26 3fg0 s LYS 480 CO 0.11 -0.14 0.77 -1.58 -0.36 0.00 0.00 175.35 174.15 3fg0 s HIS 481 N 1.22 3.04 -0.27 4.03 5.65 -1.26 -0.54 115.29 127.16 3fg0 s HIS 481 Ca -0.02 0.27 -0.09 0.00 0.25 0.00 0.00 55.06 55.47 3fg0 s HIS 481 Cb -0.14 -3.54 -0.04 0.00 -1.18 0.00 0.00 32.58 27.68 3fg0 s HIS 481 CO -0.05 -0.89 0.14 0.42 -0.65 0.00 0.00 174.74 173.71 3fg0 s ILE 482 N 3.18 4.85 -0.19 0.89 1.01 0.17 -4.98 121.20 126.12 3fg0 s ILE 482 Ca 0.29 -0.02 -0.00 0.00 0.00 0.00 0.00 60.65 60.92 3fg0 s ILE 482 Cb -0.13 -3.31 0.01 0.00 0.01 0.00 0.00 42.46 39.05 3fg0 s ILE 482 CO 0.20 0.27 -0.15 -0.22 0.00 0.00 0.00 174.94 175.04 3fg0 s LEU 483 N 1.69 2.39 -0.19 2.97 0.20 -1.26 -1.68 118.68 122.80 3fg0 s LEU 483 Ca 0.07 -0.60 -0.04 0.00 0.69 0.00 0.00 54.13 54.24 3fg0 s LEU 483 Cb -0.16 -1.56 -0.02 0.00 -0.43 0.00 0.00 46.19 44.02 3fg0 s LEU 483 CO 0.08 -0.01 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.22 3fg0 s THR 484 N 1.34 3.87 -0.44 3.68 2.01 0.08 -4.96 115.64 121.23 3fg0 s THR 484 Ca 0.05 -0.35 -0.26 0.00 0.31 0.00 0.00 61.69 61.44 3fg0 s THR 484 Cb -0.14 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3fg0 s THR 484 CO -0.10 0.45 0.97 0.21 -0.69 0.00 0.00 174.62 175.45 3fg0 s ASN 485 N 0.85 6.57 0.00 3.53 3.84 -1.26 -0.75 114.94 127.73 3fg0 s ASN 485 Ca 0.00 0.31 0.28 0.00 0.21 0.00 0.00 52.86 53.66 3fg0 s ASN 485 Cb -0.14 -2.47 1.12 0.00 -0.55 0.00 0.00 41.25 39.20 3fg0 s ASN 485 CO 0.02 -1.04 1.79 0.35 -2.79 0.00 0.00 177.10 175.42 3fg0 n THR 486 N 6.38 0.00 -3.12 -5.21 -2.24 -0.23 -4.18 114.28 105.68 3fg0 n THR 486 Ca 0.08 -0.13 -0.20 0.00 -2.27 0.00 0.00 64.05 61.52 3fg0 n THR 486 Cb 0.48 0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.85 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 -0.52 -0.14 -4.72 3.42 5.15 -1.24 -5.04 115.26 112.17 3fg0 n ASN 487 Ca 0.16 -2.87 -0.42 0.00 -0.60 0.00 0.00 54.58 50.86 3fg0 n ASN 487 Cb 0.30 -0.25 -0.03 0.00 -0.53 0.00 0.00 39.78 39.26 3fg0 n ASN 487 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3fg0 s PRO 488 N -1.17 4.48 0.13 1.20 0.04 -1.26 -5.01 135.00 133.41 3fg0 s PRO 488 Ca 0.35 1.78 0.09 0.00 0.04 0.00 0.00 61.00 63.27 3fg0 s PRO 488 Cb 0.22 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.41 3fg0 s PRO 488 CO -0.12 -0.15 -0.21 -0.65 0.04 0.00 0.00 177.00 175.91 3fg0 s GLN 489 N 0.46 1.24 0.34 4.56 -1.52 -1.26 -5.12 119.66 118.36 3fg0 s GLN 489 Ca 0.55 -1.30 -0.28 0.00 -1.95 0.00 0.00 55.36 52.38 3fg0 s GLN 489 Cb -0.30 -1.47 -0.10 0.00 -0.22 0.00 0.00 33.01 30.91 3fg0 s GLN 489 CO 0.32 0.33 1.30 -0.51 -0.25 0.00 0.00 175.29 176.48 3fg0 s LEU 490 N -2.24 4.39 0.07 2.90 1.02 -1.26 -4.92 118.68 118.63 3fg0 s LEU 490 Ca 0.12 2.68 0.01 0.00 0.02 0.00 0.00 54.13 56.95 3fg0 s LEU 490 Cb -0.08 -3.70 -0.25 0.00 0.02 0.00 0.00 46.19 42.18 3fg0 s LEU 490 CO 0.06 -0.58 1.09 0.58 0.02 0.00 0.00 176.35 177.52 3fg0 h VAL 491 N 2.93 1.45 -6.13 -1.59 2.07 -2.01 -3.48 116.25 109.49 3fg0 h VAL 491 Ca -0.49 -3.10 -0.45 0.00 0.82 0.00 0.00 66.70 63.48 3fg0 h VAL 491 Cb 1.23 2.84 0.03 0.00 -1.52 0.00 0.00 31.29 33.87 3fg0 h VAL 491 CO 0.65 0.88 -0.74 0.59 0.02 0.00 0.00 177.57 178.97 3fg0 n ASN 492 N -3.42 -5.12 0.00 0.57 3.02 -1.26 -4.89 115.26 104.16 3fg0 n ASN 492 Ca -0.08 -0.70 -0.17 0.00 -0.03 0.00 0.00 54.58 53.60 3fg0 n ASN 492 Cb 1.00 -4.30 -0.11 0.00 -0.61 0.00 0.00 39.78 35.76 3fg0 n ASN 492 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3fg0 h TRP 493 N -2.29 0.57 -3.16 3.10 2.91 -2.03 -3.45 115.95 111.59 3fg0 h TRP 493 Ca -0.58 -0.32 -0.59 0.00 1.13 0.00 0.00 58.89 58.54 3fg0 h TRP 493 Cb 1.37 -0.06 -0.05 0.00 -0.51 0.00 0.00 29.16 29.91 3fg0 h TRP 493 CO 0.54 1.14 -0.10 -0.06 -1.03 0.00 0.00 178.44 178.93 3fg0 s PHE 494 N -3.13 3.75 0.58 2.65 0.08 -1.26 -5.03 117.98 115.62 3fg0 s PHE 494 Ca -0.13 1.15 -0.19 0.00 0.12 0.00 0.00 56.93 57.87 3fg0 s PHE 494 Cb 0.03 -2.43 -0.06 0.00 -0.57 0.00 0.00 43.02 39.99 3fg0 s PHE 494 CO 0.81 0.57 0.91 0.43 -0.10 0.00 0.00 175.22 177.84 3fg0 n SER 495 N 1.94 0.58 0.00 1.36 7.64 -1.26 -5.16 113.62 118.71 3fg0 n SER 495 Ca -0.11 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3fg0 n SER 495 Cb 0.51 -1.36 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 3fg0 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32