#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg0 n TYR -5 N 0.00 0.00 -0.14 1.47 4.02 -1.26 -4.93 117.16 116.32 3fg0 n TYR -5 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 3fg0 n TYR -5 Cb 0.00 -1.79 -0.01 0.00 -0.02 0.00 0.00 39.34 37.52 3fg0 n TYR -5 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 176.86 176.59 3fg0 h PHE -4 N 0.00 0.99 -0.27 -0.72 -1.00 -1.98 -0.04 116.94 113.91 3fg0 h PHE -4 Ca -0.14 -0.24 -0.03 0.00 2.81 0.00 0.00 57.97 60.37 3fg0 h PHE -4 Cb 0.71 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.03 3fg0 h PHE -4 CO 0.36 1.01 0.06 0.37 -1.61 0.00 0.00 178.31 178.49 3fg0 h GLN -3 N 0.69 0.45 -0.76 1.51 4.15 -1.91 -0.18 115.11 119.05 3fg0 h GLN -3 Ca 0.10 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.35 3fg0 h GLN -3 Cb 0.73 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 3fg0 h GLN -3 CO 0.06 0.55 0.26 0.66 -1.93 0.00 0.00 178.83 178.42 3fg0 h SER -2 N 0.27 1.09 0.16 -0.69 4.64 -1.96 -0.95 113.55 116.11 3fg0 h SER -2 Ca 0.08 -0.19 -0.10 0.00 -0.47 0.00 0.00 61.79 61.12 3fg0 h SER -2 Cb 0.31 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3fg0 h SER -2 CO 0.00 0.99 -0.34 0.78 -0.87 0.00 0.00 176.83 177.39 3fg0 h ASN -1 N 1.12 0.27 -0.56 4.97 2.35 -0.84 -1.95 115.58 120.95 3fg0 h ASN -1 Ca 0.25 -0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 3fg0 h ASN -1 Cb 0.28 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 3fg0 h ASN -1 CO -0.01 0.61 0.03 0.00 -1.65 0.00 0.00 177.43 176.40 3fg0 h ALA 0 N 1.41 0.93 -0.08 -0.83 0.00 -0.69 -2.60 119.26 117.40 3fg0 h ALA 0 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 3fg0 h ALA 0 Cb 0.72 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fg0 h ALA 0 CO 0.05 0.65 -0.25 0.52 0.00 0.00 0.00 179.25 180.22 3fg0 h MET 1 N 0.93 0.13 0.00 0.00 2.86 -0.65 -2.27 114.93 115.93 3fg0 h MET 1 Ca 0.17 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.72 3fg0 h MET 1 Cb 0.50 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3fg0 h MET 1 CO 0.02 0.38 -0.25 0.93 1.06 0.00 0.00 176.91 179.05 3fg0 h GLU 2 N 0.12 0.00 -0.83 1.72 4.39 -0.98 -2.40 114.58 116.61 3fg0 h GLU 2 Ca 0.02 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3fg0 h GLU 2 Cb 0.51 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.11 3fg0 h GLU 2 CO 0.04 0.25 0.54 -0.07 -1.16 0.00 0.00 179.01 178.61 3fg0 h LEU 3 N 0.00 0.85 -2.43 1.33 3.38 -1.27 -2.53 115.31 114.65 3fg0 h LEU 3 Ca -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3fg0 h LEU 3 Cb 0.52 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 3fg0 h LEU 3 CO 0.03 0.57 -0.02 -0.07 0.09 0.00 0.00 178.44 179.05 3fg0 h LEU 4 N 0.98 0.00 -2.47 1.67 3.38 -1.50 -1.56 115.31 115.82 3fg0 h LEU 4 Ca 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3fg0 h LEU 4 Cb 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3fg0 h LEU 4 CO -0.11 0.02 -0.01 0.11 0.09 0.00 0.00 178.44 178.54 3fg0 h LYS 5 N 0.00 0.00 -0.05 1.13 1.57 -1.58 -2.58 116.57 115.07 3fg0 h LYS 5 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fg0 h LYS 5 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 3fg0 h LYS 5 CO 0.00 0.01 0.00 0.72 -0.57 0.00 0.00 179.45 179.61 3fg0 n HIS 6 N -3.18 0.05 -2.98 -1.35 8.25 -0.60 -5.01 115.22 110.41 3fg0 n HIS 6 Ca -0.02 -0.07 -0.39 0.00 -0.26 0.00 0.00 57.72 56.98 3fg0 n HIS 6 Cb 0.15 -0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.76 4.56 0.53 2.41 2.96 -0.97 -5.04 118.68 122.37 3fg0 s LEU 7 Ca 0.11 1.64 -0.22 0.00 -0.22 0.00 0.00 54.13 55.44 3fg0 s LEU 7 Cb 0.08 -3.36 -0.05 0.00 0.50 0.00 0.00 46.19 43.35 3fg0 s LEU 7 CO 0.11 0.18 1.36 -0.44 -1.32 0.00 0.00 176.35 176.24 3fg0 s SER 8 N -1.22 5.36 0.00 3.68 0.01 -1.26 -4.94 113.70 115.34 3fg0 s SER 8 Ca 0.37 2.76 0.13 0.00 1.31 0.00 0.00 55.95 60.52 3fg0 s SER 8 Cb -0.22 -2.64 0.19 0.00 0.21 0.00 0.00 66.02 63.56 3fg0 s SER 8 CO 0.26 -1.51 1.05 0.00 0.41 0.00 0.00 173.24 173.45 3fg0 n GLN 9 N -0.93 1.53 -3.96 12.44 6.02 -1.26 -4.99 117.38 126.23 3fg0 n GLN 9 Ca 0.10 -1.58 -0.24 0.00 -0.01 0.00 0.00 57.00 55.26 3fg0 n GLN 9 Cb 0.45 -1.27 -0.05 0.00 1.02 0.00 0.00 30.24 30.39 3fg0 n GLN 9 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3fg0 s ARG 10 N -1.05 2.31 0.63 -1.09 0.52 -1.26 -0.90 118.95 118.11 3fg0 s ARG 10 Ca 0.19 -1.83 -0.08 0.00 -0.52 0.00 0.00 55.73 53.49 3fg0 s ARG 10 Cb 0.12 -2.09 0.01 0.00 0.52 0.00 0.00 34.95 33.52 3fg0 s ARG 10 CO 0.17 -0.26 0.97 -0.65 0.02 0.00 0.00 175.30 175.55 3fg0 s GLN 11 N -4.05 2.85 -0.26 3.54 -0.21 -0.19 -4.83 119.66 116.51 3fg0 s GLN 11 Ca 0.40 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.91 3fg0 s GLN 11 Cb 0.01 -2.18 0.08 0.00 1.00 0.00 0.00 33.01 31.91 3fg0 s GLN 11 CO 0.23 -0.84 0.01 -0.47 -2.12 0.00 0.00 175.29 172.10 3fg0 s TYR 12 N -3.13 2.21 -0.09 0.91 5.04 -0.38 -0.54 117.35 121.37 3fg0 s TYR 12 Ca 0.56 -1.79 0.01 0.00 -2.44 0.00 0.00 57.07 53.40 3fg0 s TYR 12 Cb -0.11 -1.72 0.02 0.00 0.35 0.00 0.00 41.96 40.51 3fg0 s TYR 12 CO 0.47 -0.80 -0.10 0.42 -1.34 0.00 0.00 175.55 174.20 3fg0 s ILE 13 N 1.45 1.08 -1.34 3.14 1.01 -0.52 0.07 121.20 126.09 3fg0 s ILE 13 Ca 0.01 -0.38 -0.05 0.00 0.00 0.00 0.00 60.65 60.23 3fg0 s ILE 13 Cb -0.18 -1.05 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 3fg0 s ILE 13 CO -0.11 0.36 0.51 -0.67 0.00 0.00 0.00 174.94 175.03 3fg0 n ASP 14 N 4.41 -1.38 0.00 3.58 2.03 -1.26 -2.41 116.55 121.53 3fg0 n ASP 14 Ca -0.18 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.13 3fg0 n ASP 14 Cb 0.51 -3.17 0.00 0.00 -0.72 0.00 0.00 41.12 37.74 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 -1.90 0.72 3.03 0.27 0.00 -1.26 -4.62 105.19 101.43 3fg0 n GLY 15 Ca -0.27 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 3fg0 n GLY 15 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fg0 s GLU 16 N -0.09 0.33 -0.18 1.61 -1.05 -1.01 -5.07 118.70 113.24 3fg0 s GLU 16 Ca 0.00 -0.31 -0.27 0.00 -0.15 0.00 0.00 54.97 54.24 3fg0 s GLU 16 Cb 0.00 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.82 3fg0 s GLU 16 CO 0.00 -0.07 0.92 -1.58 0.95 0.00 0.00 175.26 175.49 3fg0 s TRP 17 N -1.00 3.41 0.03 4.83 0.52 -1.26 -1.44 118.94 124.02 3fg0 s TRP 17 Ca -0.11 1.37 0.02 0.00 0.02 0.00 0.00 56.10 57.40 3fg0 s TRP 17 Cb -0.06 -3.12 -0.02 0.00 -1.15 0.00 0.00 33.47 29.12 3fg0 s TRP 17 CO 0.00 -0.32 -0.06 0.14 0.02 0.00 0.00 176.95 176.73 3fg0 s VAL 18 N 2.47 0.45 1.09 4.03 -7.23 0.30 -4.94 120.40 116.56 3fg0 s VAL 18 Ca 0.42 -0.81 -0.16 0.00 -1.81 0.00 0.00 61.98 59.61 3fg0 s VAL 18 Cb -0.16 -0.49 0.23 0.00 0.56 0.00 0.00 36.38 36.52 3fg0 s VAL 18 CO 0.11 -0.25 1.13 -1.61 -0.31 0.00 0.00 175.10 174.17 3fg0 s GLU 19 N -1.15 -0.32 0.61 4.82 2.02 -1.26 -1.02 118.70 122.40 3fg0 s GLU 19 Ca -0.07 0.09 -0.18 0.00 0.02 0.00 0.00 54.97 54.83 3fg0 s GLU 19 Cb -0.08 -1.69 -0.03 0.00 0.10 0.00 0.00 34.13 32.44 3fg0 s GLU 19 CO 0.00 -3.14 1.16 0.45 0.02 0.00 0.00 175.26 173.75 3fg0 s SER 20 N -3.89 5.23 0.54 -0.19 0.15 -1.26 -4.81 113.70 109.46 3fg0 s SER 20 Ca 0.69 2.23 0.20 0.00 0.70 0.00 0.00 55.95 59.77 3fg0 s SER 20 Cb -0.12 -2.58 1.42 0.00 -1.71 0.00 0.00 66.02 63.03 3fg0 s SER 20 CO 0.56 -1.56 2.17 0.00 1.20 0.00 0.00 173.24 175.61 3fg0 h ALA 21 N 0.66 1.89 -0.55 5.45 0.00 -1.94 -1.43 119.26 123.34 3fg0 h ALA 21 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fg0 h ALA 21 Cb 1.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 3fg0 h ALA 21 CO 0.55 -0.02 0.00 0.27 0.00 0.00 0.00 179.25 180.05 3fg0 n ASN 22 N -4.35 3.68 -0.32 0.00 0.23 -1.26 -4.96 115.26 108.27 3fg0 n ASN 22 Ca -0.03 -2.12 -0.04 0.00 -0.53 0.00 0.00 54.58 51.86 3fg0 n ASN 22 Cb 0.10 -0.41 -0.02 0.00 -2.08 0.00 0.00 39.78 37.38 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 1.02 -1.80 -1.57 -3.83 4.01 -0.54 -4.97 118.16 110.48 3fg0 n LYS 23 Ca 0.20 0.63 -0.32 0.00 -0.51 0.00 0.00 58.31 58.30 3fg0 n LYS 23 Cb 0.60 -5.04 0.06 0.00 -0.51 0.00 0.00 35.03 30.14 3fg0 n LYS 23 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3fg0 s ASN 24 N -2.17 4.92 0.22 4.39 0.02 -1.26 -4.88 114.94 116.19 3fg0 s ASN 24 Ca 0.00 1.90 0.00 0.00 -1.02 0.00 0.00 52.86 53.74 3fg0 s ASN 24 Cb 0.00 -2.54 -0.04 0.00 0.02 0.00 0.00 41.25 38.69 3fg0 s ASN 24 CO 0.00 -1.75 0.14 0.42 0.02 0.00 0.00 177.10 175.92 3fg0 s THR 25 N -2.59 0.10 -0.00 1.60 -4.23 -1.26 -0.88 115.64 108.36 3fg0 s THR 25 Ca 0.64 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 3fg0 s THR 25 Cb -0.19 -2.52 0.01 0.00 1.34 0.00 0.00 72.50 71.14 3fg0 s THR 25 CO 0.47 0.00 0.00 -0.60 -0.54 0.00 0.00 174.62 173.96 3fg0 s ARG 26 N -4.08 0.02 -0.03 3.99 3.52 0.46 -4.69 118.95 118.14 3fg0 s ARG 26 Ca 0.39 0.03 -0.20 0.00 -0.13 0.00 0.00 55.73 55.81 3fg0 s ARG 26 Cb 0.07 -0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.33 3fg0 s ARG 26 CO 0.14 -0.03 0.58 -0.51 -0.81 0.00 0.00 175.30 174.66 3fg0 s ASP 27 N 0.23 6.92 -0.13 -2.12 1.01 -1.26 -1.32 116.67 119.99 3fg0 s ASP 27 Ca -0.02 1.10 -0.06 0.00 0.71 0.00 0.00 52.55 54.29 3fg0 s ASP 27 Cb -0.03 -2.35 -0.04 0.00 1.01 0.00 0.00 42.92 41.51 3fg0 s ASP 27 CO -0.01 0.07 0.07 -0.63 0.21 0.00 0.00 175.17 174.88 3fg0 s ILE 28 N 0.01 4.87 0.29 0.77 -1.09 1.00 -5.01 121.20 122.04 3fg0 s ILE 28 Ca 0.31 -0.02 0.11 0.00 -2.23 0.00 0.00 60.65 58.82 3fg0 s ILE 28 Cb -0.18 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.52 3fg0 s ILE 28 CO 0.16 0.56 -0.17 0.27 -1.23 0.00 0.00 174.94 174.53 3fg0 s ILE 29 N -0.47 2.47 -0.35 2.92 -4.36 -1.26 -0.31 121.20 119.83 3fg0 s ILE 29 Ca 0.10 -2.35 -0.14 0.00 -0.26 0.00 0.00 60.65 58.01 3fg0 s ILE 29 Cb -0.12 -2.39 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 3fg0 s ILE 29 CO 0.02 -0.36 0.28 0.21 0.24 0.00 0.00 174.94 175.33 3fg0 s ASN 30 N -3.54 6.09 0.44 4.36 3.84 -0.66 -4.78 114.94 120.70 3fg0 s ASN 30 Ca 0.31 -0.43 0.30 0.00 0.21 0.00 0.00 52.86 53.25 3fg0 s ASN 30 Cb -0.04 -2.15 1.47 0.00 -0.55 0.00 0.00 41.25 39.98 3fg0 s ASN 30 CO 0.16 -0.28 1.92 1.55 -2.79 0.00 0.00 177.10 177.65 3fg0 h PRO 31 N 8.50 0.00 -0.53 0.43 0.13 -1.81 0.39 132.00 139.11 3fg0 h PRO 31 Ca -0.30 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.75 3fg0 h PRO 31 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3fg0 h PRO 31 CO 0.66 0.00 0.05 -0.92 -0.23 0.00 0.00 178.00 177.55 3fg0 h TYR 32 N 0.00 0.92 0.00 1.56 3.20 -1.90 -1.49 116.97 119.26 3fg0 h TYR 32 Ca 0.00 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.75 3fg0 h TYR 32 Cb 0.21 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.23 3fg0 h TYR 32 CO 0.00 0.81 0.00 0.27 -1.64 0.00 0.00 178.16 177.60 3fg0 n ASN 33 N -4.22 0.53 -1.81 -2.11 0.23 -0.94 -3.12 115.26 103.81 3fg0 n ASN 33 Ca 0.03 -1.04 -0.21 0.00 -0.53 0.00 0.00 54.58 52.84 3fg0 n ASN 33 Cb 0.29 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.92 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 -0.02 -1.52 -3.31 -3.83 6.02 0.13 -4.68 117.38 110.18 3fg0 n GLN 34 Ca 0.00 1.16 -0.33 0.00 -0.01 0.00 0.00 57.00 57.82 3fg0 n GLN 34 Cb 0.15 -5.62 -0.06 0.00 1.02 0.00 0.00 30.24 25.73 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 -4.09 3.94 -0.07 -1.09 0.41 -1.24 -4.81 118.70 111.75 3fg0 s GLU 35 Ca 0.00 0.48 -0.30 0.00 -0.41 0.00 0.00 54.97 54.74 3fg0 s GLU 35 Cb 0.00 -2.71 -0.04 0.00 -1.78 0.00 0.00 34.13 29.60 3fg0 s GLU 35 CO 0.00 0.34 1.41 0.08 -0.49 0.00 0.00 175.26 176.60 3fg0 s VAL 36 N -1.72 3.88 -0.27 2.63 1.01 -1.26 -1.65 120.40 123.03 3fg0 s VAL 36 Ca 0.45 1.16 0.11 0.00 0.00 0.00 0.00 61.98 63.71 3fg0 s VAL 36 Cb -0.13 -3.75 -0.15 0.00 0.00 0.00 0.00 36.38 32.36 3fg0 s VAL 36 CO 0.20 -0.06 0.36 2.30 0.00 0.00 0.00 175.10 177.90 3fg0 n ILE 37 N 5.09 0.00 -3.51 2.22 -5.35 0.57 -4.96 119.36 113.41 3fg0 n ILE 37 Ca 0.14 -0.25 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 3fg0 n ILE 37 Cb 0.44 0.63 -0.03 0.00 -1.74 0.00 0.00 39.64 38.94 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 -2.40 -0.41 -0.07 4.28 5.36 -1.18 -5.02 117.98 118.54 3fg0 s PHE 38 Ca 0.00 0.43 0.02 0.00 -0.96 0.00 0.00 56.93 56.42 3fg0 s PHE 38 Cb 0.08 0.51 0.02 0.00 -0.34 0.00 0.00 43.02 43.28 3fg0 s PHE 38 CO 0.46 -0.54 -0.10 0.99 -1.46 0.00 0.00 175.22 174.56 3fg0 s THR 39 N -2.50 1.06 0.27 0.12 2.01 -1.26 -0.00 115.64 115.32 3fg0 s THR 39 Ca 0.01 -0.40 0.09 0.00 0.31 0.00 0.00 61.69 61.70 3fg0 s THR 39 Cb -0.01 -1.00 -0.05 0.00 0.01 0.00 0.00 72.50 71.45 3fg0 s THR 39 CO -0.05 0.35 -0.13 0.68 -0.69 0.00 0.00 174.62 174.78 3fg0 s VAL 40 N 0.92 1.99 0.46 3.82 -7.23 -0.44 -4.80 120.40 115.12 3fg0 s VAL 40 Ca -0.10 -2.24 -0.24 0.00 -1.81 0.00 0.00 61.98 57.58 3fg0 s VAL 40 Cb -0.15 -2.31 -0.07 0.00 0.56 0.00 0.00 36.38 34.40 3fg0 s VAL 40 CO 0.01 -0.41 1.33 -0.44 -0.31 0.00 0.00 175.10 175.28 3fg0 s SER 41 N -3.45 5.94 -0.39 4.85 0.01 -0.08 -0.41 113.70 120.17 3fg0 s SER 41 Ca 0.28 2.69 -0.00 0.00 1.31 0.00 0.00 55.95 60.23 3fg0 s SER 41 Cb -0.00 -2.64 0.11 0.00 0.21 0.00 0.00 66.02 63.70 3fg0 s SER 41 CO 0.12 -1.11 0.16 -0.70 0.41 0.00 0.00 173.24 172.12 3fg0 s GLU 42 N -2.51 1.84 0.98 12.44 2.56 -0.06 -4.62 118.70 129.33 3fg0 s GLU 42 Ca 0.62 -1.87 -0.12 0.00 0.00 0.00 0.00 54.97 53.60 3fg0 s GLU 42 Cb -0.39 -3.46 0.18 0.00 2.00 0.00 0.00 34.13 32.47 3fg0 s GLU 42 CO 0.48 -1.03 1.09 0.20 -0.56 0.00 0.00 175.26 175.44 3fg0 s GLY 43 N 1.46 1.61 0.38 -1.50 0.00 0.16 -4.42 107.32 105.02 3fg0 s GLY 43 Ca 0.10 0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.97 3fg0 s GLY 43 CO -0.05 0.62 0.16 -0.51 0.00 0.00 0.00 173.10 173.32 3fg0 s THR 44 N -2.72 2.56 0.51 0.90 -4.23 -1.26 -4.80 115.64 106.60 3fg0 s THR 44 Ca 0.66 -1.71 0.21 0.00 -1.18 0.00 0.00 61.69 59.66 3fg0 s THR 44 Cb -0.21 -2.97 0.28 0.00 1.34 0.00 0.00 72.50 70.94 3fg0 s THR 44 CO 0.60 -0.08 2.13 0.07 -0.54 0.00 0.00 174.62 176.80 3fg0 h LYS 45 N 1.49 0.00 -0.09 3.99 2.10 -1.94 -1.24 116.57 120.87 3fg0 h LYS 45 Ca -0.43 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.07 3fg0 h LYS 45 Cb 1.25 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.57 3fg0 h LYS 45 CO 0.67 0.06 -0.58 0.93 -2.00 0.00 0.00 179.45 178.53 3fg0 h GLU 46 N 0.00 0.29 -0.21 0.07 3.07 -1.95 -0.67 114.58 115.18 3fg0 h GLU 46 Ca -0.00 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.65 3fg0 h GLU 46 Cb 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 3fg0 h GLU 46 CO 0.01 0.79 0.07 -0.44 -1.40 0.00 0.00 179.01 178.04 3fg0 h ASP 47 N 0.22 0.30 -0.55 1.42 3.32 -1.64 -0.93 116.42 118.55 3fg0 h ASP 47 Ca -0.00 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.90 3fg0 h ASP 47 Cb 1.09 -0.08 -0.05 0.00 0.22 0.00 0.00 39.33 40.51 3fg0 h ASP 47 CO 0.09 0.41 0.29 0.00 -1.72 0.00 0.00 179.24 178.31 3fg0 h ALA 48 N 0.90 0.71 -0.63 3.45 0.00 -1.17 -0.55 119.26 121.97 3fg0 h ALA 48 Ca 0.07 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fg0 h ALA 48 Cb 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3fg0 h ALA 48 CO -0.00 -0.05 0.07 1.49 0.00 0.00 0.00 179.25 180.75 3fg0 h GLU 49 N 0.55 1.07 -0.86 0.00 4.81 -1.01 -1.81 114.58 117.32 3fg0 h GLU 49 Ca 0.24 -0.31 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3fg0 h GLU 49 Cb 0.15 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 3fg0 h GLU 49 CO -0.16 1.01 0.52 -0.09 -0.73 0.00 0.00 179.01 179.56 3fg0 h ARG 50 N 0.98 1.17 -0.48 1.92 2.43 -0.66 -1.01 114.38 118.73 3fg0 h ARG 50 Ca 0.19 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.18 3fg0 h ARG 50 Cb 0.48 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3fg0 h ARG 50 CO 0.02 0.81 0.03 0.00 -1.51 0.00 0.00 179.97 179.32 3fg0 h ALA 51 N 1.28 0.64 -0.72 2.80 0.00 -0.84 0.49 119.26 122.91 3fg0 h ALA 51 Ca 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 51 Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 3fg0 h ALA 51 CO -0.06 0.42 0.44 0.82 0.00 0.00 0.00 179.25 180.87 3fg0 h ILE 52 N 0.68 1.20 -0.33 0.00 2.04 -1.04 0.36 117.51 120.43 3fg0 h ILE 52 Ca 0.14 -0.44 -0.10 0.00 1.00 0.00 0.00 64.86 65.45 3fg0 h ILE 52 Cb 0.47 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3fg0 h ILE 52 CO 0.02 0.21 -0.22 -0.07 0.00 0.00 0.00 178.15 178.09 3fg0 h LEU 53 N 0.99 0.65 -0.56 1.44 3.38 -0.89 -0.79 115.31 119.52 3fg0 h LEU 53 Ca 0.26 -0.22 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3fg0 h LEU 53 Cb -0.04 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 3fg0 h LEU 53 CO -0.05 0.86 -0.01 0.00 0.09 0.00 0.00 178.44 179.33 3fg0 h ALA 54 N 1.19 0.75 -0.75 1.53 0.00 -0.53 -0.29 119.26 121.16 3fg0 h ALA 54 Ca 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3fg0 h ALA 54 Cb 0.68 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3fg0 h ALA 54 CO 0.05 0.59 0.38 0.00 0.00 0.00 0.00 179.25 180.27 3fg0 h ALA 55 N 0.96 0.97 -0.26 0.00 0.00 -0.61 -0.59 119.26 119.72 3fg0 h ALA 55 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3fg0 h ALA 55 Cb 0.56 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3fg0 h ALA 55 CO 0.03 0.52 0.03 -0.09 0.00 0.00 0.00 179.25 179.75 3fg0 h ARG 56 N 1.06 0.44 -0.36 0.00 9.65 -0.93 0.53 114.38 124.76 3fg0 h ARG 56 Ca 0.26 -0.12 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 3fg0 h ARG 56 Cb 0.10 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.60 3fg0 h ARG 56 CO -0.04 0.57 0.22 -0.09 2.80 0.00 0.00 179.97 183.43 3fg0 h ARG 57 N 0.25 0.43 -0.27 0.20 2.43 -0.80 -0.46 114.38 116.15 3fg0 h ARG 57 Ca 0.08 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3fg0 h ARG 57 Cb 0.35 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3fg0 h ARG 57 CO 0.01 0.28 0.14 0.00 -1.51 0.00 0.00 179.97 178.89 3fg0 h ALA 58 N 1.16 0.33 -0.21 2.80 0.00 -1.01 -0.78 119.26 121.54 3fg0 h ALA 58 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3fg0 h ALA 58 Cb -0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3fg0 h ALA 58 CO -0.06 -0.25 0.06 0.35 0.00 0.00 0.00 179.25 179.35 3fg0 h PHE 59 N 0.30 0.10 0.00 0.00 3.57 -0.40 -2.45 116.94 118.05 3fg0 h PHE 59 Ca 0.11 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.58 3fg0 h PHE 59 Cb 0.02 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3fg0 h PHE 59 CO -0.09 0.04 -0.18 0.93 -2.23 0.00 0.00 178.31 176.78 3fg0 h GLU 60 N 0.15 0.00 -0.02 1.11 4.39 -0.91 -2.39 114.58 116.91 3fg0 h GLU 60 Ca 0.09 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.75 3fg0 h GLU 60 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 3fg0 h GLU 60 CO -0.11 0.18 -0.21 0.66 -1.16 0.00 0.00 179.01 178.38 3fg0 h SER 61 N 0.00 0.03 0.00 1.42 4.64 -0.66 -3.47 113.55 115.51 3fg0 h SER 61 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3fg0 h SER 61 Cb 0.34 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3fg0 h SER 61 CO 0.02 0.24 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 3fg0 n GLY 62 N -0.91 1.37 0.34 -0.77 0.00 -0.90 -4.91 105.19 99.41 3fg0 n GLY 62 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 3fg0 n GLY 62 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fg0 h GLU 63 N 3.02 0.36 0.00 1.61 4.81 -1.85 0.75 114.58 123.27 3fg0 h GLU 63 Ca 0.00 -0.02 -0.31 0.00 -0.13 0.00 0.00 59.36 58.90 3fg0 h GLU 63 Cb 0.00 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.25 3fg0 h GLU 63 CO 0.00 0.24 -2.09 1.87 -0.73 0.00 0.00 179.01 178.29 3fg0 n TRP 64 N -4.47 0.00 0.25 0.92 -0.00 -1.26 -4.02 117.44 108.86 3fg0 n TRP 64 Ca 0.08 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.67 3fg0 n TRP 64 Cb 0.33 -0.72 0.65 0.00 -0.00 0.00 0.00 31.31 31.58 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 -0.39 0.00 -0.30 5.87 4.64 -1.59 -1.97 113.55 119.81 3fg0 h SER 65 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3fg0 h SER 65 Cb 1.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3fg0 h SER 65 CO -0.20 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 175.84 3fg0 n GLN 66 N -4.21 2.14 -1.33 4.77 1.13 0.25 -4.90 117.38 115.24 3fg0 n GLN 66 Ca -0.03 -1.94 -0.32 0.00 -1.94 0.00 0.00 57.00 52.77 3fg0 n GLN 66 Cb 0.16 -1.36 0.09 0.00 0.11 0.00 0.00 30.24 29.25 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 -1.15 2.13 0.51 -1.09 2.56 -0.74 -4.95 118.70 115.96 3fg0 s GLU 67 Ca 0.27 1.45 -0.21 0.00 0.00 0.00 0.00 54.97 56.49 3fg0 s GLU 67 Cb 0.16 -1.86 -0.07 0.00 2.00 0.00 0.00 34.13 34.36 3fg0 s GLU 67 CO 0.22 -1.78 1.13 0.95 -0.56 0.00 0.00 175.26 175.22 3fg0 s THR 68 N -2.48 3.22 0.29 -1.70 -4.23 -1.26 -4.88 115.64 104.61 3fg0 s THR 68 Ca 0.67 0.81 -0.01 0.00 -1.18 0.00 0.00 61.69 61.98 3fg0 s THR 68 Cb -0.22 -3.36 0.19 0.00 1.34 0.00 0.00 72.50 70.45 3fg0 s THR 68 CO 0.50 -0.11 1.88 0.00 -0.54 0.00 0.00 174.62 176.34 3fg0 h ALA 69 N 1.53 1.29 -0.72 3.99 0.00 -1.92 -1.21 119.26 122.23 3fg0 h ALA 69 Ca -0.50 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.27 3fg0 h ALA 69 Cb 1.25 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.76 3fg0 h ALA 69 CO 0.58 0.53 0.48 1.49 0.00 0.00 0.00 179.25 182.33 3fg0 h GLU 70 N 0.89 0.95 -0.17 0.00 4.81 -1.91 -0.91 114.58 118.24 3fg0 h GLU 70 Ca 0.21 -0.06 -0.20 0.00 -0.13 0.00 0.00 59.36 59.18 3fg0 h GLU 70 Cb 0.15 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3fg0 h GLU 70 CO -0.02 0.63 -0.70 1.15 -0.73 0.00 0.00 179.01 179.34 3fg0 h THR 71 N 0.98 1.30 -0.92 0.32 2.02 -1.80 -2.09 112.91 112.72 3fg0 h THR 71 Ca 0.26 -1.94 0.07 0.00 0.77 0.00 0.00 66.41 65.57 3fg0 h THR 71 Cb -0.11 1.92 -0.07 0.00 -1.74 0.00 0.00 68.15 68.15 3fg0 h THR 71 CO -0.06 0.61 0.58 0.03 0.37 0.00 0.00 175.52 177.05 3fg0 h ARG 72 N 0.50 1.00 -0.83 6.66 3.08 -1.05 -1.88 114.38 121.86 3fg0 h ARG 72 Ca -0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 3fg0 h ARG 72 Cb 1.30 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.09 3fg0 h ARG 72 CO 0.14 0.66 0.43 0.78 -1.07 0.00 0.00 179.97 180.91 3fg0 h GLY 73 N 1.03 1.26 1.54 0.04 0.00 -0.76 -1.11 103.07 105.07 3fg0 h GLY 73 Ca 0.41 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3fg0 h GLY 73 CO -0.19 0.57 -0.02 0.50 0.00 0.00 0.00 176.54 177.40 3fg0 h LYS 74 N 1.16 0.57 -0.29 4.80 1.57 -0.69 -0.57 116.57 123.12 3fg0 h LYS 74 Ca 0.29 -0.13 -0.15 0.00 -1.87 0.00 0.00 60.65 58.79 3fg0 h LYS 74 Cb 0.07 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3fg0 h LYS 74 CO -0.04 0.61 -0.40 0.87 -0.57 0.00 0.00 179.45 179.92 3fg0 h LYS 75 N 0.54 0.78 -0.55 3.15 1.79 -0.99 -1.00 116.57 120.29 3fg0 h LYS 75 Ca 0.11 -0.45 -0.05 0.00 -2.18 0.00 0.00 60.65 58.08 3fg0 h LYS 75 Cb 0.38 0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 3fg0 h LYS 75 CO 0.02 1.08 0.15 0.28 -1.08 0.00 0.00 179.45 179.90 3fg0 h VAL 76 N 0.54 1.22 -0.50 0.50 2.07 -0.99 -1.98 116.25 117.11 3fg0 h VAL 76 Ca 0.03 -0.79 -0.06 0.00 0.82 0.00 0.00 66.70 66.70 3fg0 h VAL 76 Cb 0.99 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3fg0 h VAL 76 CO 0.09 0.30 0.06 -0.09 0.02 0.00 0.00 177.57 177.95 3fg0 h ARG 77 N 0.81 0.81 -0.78 1.57 2.43 -0.96 -1.81 114.38 116.44 3fg0 h ARG 77 Ca 0.18 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3fg0 h ARG 77 Cb 0.27 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 3fg0 h ARG 77 CO -0.00 0.77 0.28 0.00 -1.51 0.00 0.00 179.97 179.51 3fg0 h ALA 78 N 1.30 1.01 -0.12 2.80 0.00 -0.51 -1.16 119.26 122.58 3fg0 h ALA 78 Ca 0.16 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fg0 h ALA 78 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fg0 h ALA 78 CO 0.01 0.67 0.08 0.82 0.00 0.00 0.00 179.25 180.82 3fg0 h ILE 79 N 1.14 1.04 -0.67 0.00 2.04 -1.06 -1.46 117.51 118.54 3fg0 h ILE 79 Ca 0.26 -0.10 0.14 0.00 1.00 0.00 0.00 64.86 66.16 3fg0 h ILE 79 Cb 0.26 0.90 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 3fg0 h ILE 79 CO -0.02 0.04 0.12 0.00 0.00 0.00 0.00 178.15 178.30 3fg0 h ALA 80 N 1.03 0.80 -0.32 1.87 0.00 -0.86 -1.00 119.26 120.78 3fg0 h ALA 80 Ca 0.04 0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3fg0 h ALA 80 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fg0 h ALA 80 CO -0.01 -0.34 -0.10 -0.44 0.00 0.00 0.00 179.25 178.36 3fg0 h ASP 81 N 0.23 0.52 -0.63 0.00 3.32 -0.98 -2.37 116.42 116.51 3fg0 h ASP 81 Ca 0.37 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3fg0 h ASP 81 Cb 0.60 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 3fg0 h ASP 81 CO -0.49 0.66 0.35 0.11 -1.72 0.00 0.00 179.24 178.16 3fg0 h LYS 82 N 0.50 0.87 -0.48 3.56 1.79 -0.13 -0.08 116.57 122.60 3fg0 h LYS 82 Ca 0.09 -0.10 0.02 0.00 -2.18 0.00 0.00 60.65 58.48 3fg0 h LYS 82 Cb 0.48 -0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 30.93 3fg0 h LYS 82 CO 0.03 0.65 0.30 0.82 -1.08 0.00 0.00 179.45 180.17 3fg0 h ILE 83 N 0.85 1.08 -0.55 1.86 1.08 -0.90 -1.88 117.51 119.04 3fg0 h ILE 83 Ca 0.22 -0.21 -0.11 0.00 -0.39 0.00 0.00 64.86 64.37 3fg0 h ILE 83 Cb 0.02 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3fg0 h ILE 83 CO -0.04 0.11 -0.10 0.50 -0.69 0.00 0.00 178.15 177.94 3fg0 h LYS 84 N 0.61 1.03 -0.22 2.37 3.64 -1.20 -1.69 116.57 121.11 3fg0 h LYS 84 Ca 0.19 -0.38 0.04 0.00 -1.27 0.00 0.00 60.65 59.23 3fg0 h LYS 84 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 3fg0 h LYS 84 CO -0.07 1.07 0.15 1.49 -2.27 0.00 0.00 179.45 179.82 3fg0 h GLU 85 N 0.91 0.11 -0.18 1.90 4.81 -0.63 -2.54 114.58 118.97 3fg0 h GLU 85 Ca 0.14 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.27 3fg0 h GLU 85 Cb 0.67 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.96 3fg0 h GLU 85 CO 0.05 0.07 -0.30 0.72 -0.73 0.00 0.00 179.01 178.82 3fg0 n HIS 86 N -4.49 0.55 -0.14 0.92 8.25 -0.74 -4.82 115.22 114.75 3fg0 n HIS 86 Ca 0.02 -1.57 -0.04 0.00 -0.26 0.00 0.00 57.72 55.87 3fg0 n HIS 86 Cb 0.22 -0.37 0.03 0.00 1.12 0.00 0.00 29.99 30.98 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 1.01 0.01 -0.10 -0.41 2.43 -0.87 -0.45 114.38 116.00 3fg0 h ARG 87 Ca 0.11 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.26 3fg0 h ARG 87 Cb 1.33 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3fg0 h ARG 87 CO 0.20 0.01 -0.02 1.49 -1.51 0.00 0.00 179.97 180.14 3fg0 h GLU 88 N 0.01 0.18 -0.38 0.20 4.57 -1.87 -1.16 114.58 116.13 3fg0 h GLU 88 Ca 0.22 -0.07 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 3fg0 h GLU 88 Cb 0.33 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.89 3fg0 h GLU 88 CO -0.46 0.48 0.23 0.00 -1.18 0.00 0.00 179.01 178.08 3fg0 h ALA 89 N 0.70 0.48 -0.46 2.92 0.00 -1.88 -0.92 119.26 120.10 3fg0 h ALA 89 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3fg0 h ALA 89 Cb 0.41 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3fg0 h ALA 89 CO 0.01 -0.02 0.24 -0.07 0.00 0.00 0.00 179.25 179.41 3fg0 h LEU 90 N 0.50 0.58 -0.63 0.00 3.38 -1.07 -0.96 115.31 117.11 3fg0 h LEU 90 Ca 0.14 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.00 3fg0 h LEU 90 Cb 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3fg0 h LEU 90 CO -0.03 0.52 0.39 0.00 0.09 0.00 0.00 178.44 179.41 3fg0 h ALA 91 N 1.09 0.80 -0.60 1.53 0.00 -1.00 -0.90 119.26 120.19 3fg0 h ALA 91 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3fg0 h ALA 91 Cb 0.07 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3fg0 h ALA 91 CO -0.02 0.27 0.22 0.00 0.00 0.00 0.00 179.25 179.72 3fg0 h ARG 92 N 0.86 0.91 -0.58 0.00 3.08 -0.96 -0.88 114.38 116.81 3fg0 h ARG 92 Ca 0.23 -0.18 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3fg0 h ARG 92 Cb -0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3fg0 h ARG 92 CO -0.04 0.79 0.24 -0.07 -1.07 0.00 0.00 179.97 179.82 3fg0 h LEU 93 N 0.84 0.79 -0.76 3.04 3.38 -0.87 -0.07 115.31 121.66 3fg0 h LEU 93 Ca 0.20 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3fg0 h LEU 93 Cb 0.24 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 3fg0 h LEU 93 CO -0.01 0.73 0.40 -0.08 0.09 0.00 0.00 178.44 179.57 3fg0 h GLU 94 N 0.79 1.07 -0.49 1.13 4.57 -0.90 0.36 114.58 121.11 3fg0 h GLU 94 Ca 0.19 -0.14 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3fg0 h GLU 94 Cb 0.18 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.55 3fg0 h GLU 94 CO -0.02 0.81 0.09 1.15 -1.18 0.00 0.00 179.01 179.86 3fg0 h THR 95 N 1.06 1.25 -0.46 0.32 2.02 -0.90 0.04 112.91 116.24 3fg0 h THR 95 Ca 0.27 -0.91 0.03 0.00 0.77 0.00 0.00 66.41 66.57 3fg0 h THR 95 Cb 0.07 0.89 -0.04 0.00 -1.74 0.00 0.00 68.15 67.33 3fg0 h THR 95 CO -0.04 0.32 0.24 -0.07 0.37 0.00 0.00 175.52 176.35 3fg0 h LEU 96 N 0.68 0.36 -0.03 2.58 3.38 -0.56 0.52 115.31 122.24 3fg0 h LEU 96 Ca 0.15 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.88 3fg0 h LEU 96 Cb 0.38 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 41.10 3fg0 h LEU 96 CO 0.01 0.26 -1.04 -0.78 0.09 0.00 0.00 178.44 176.98 3fg0 h ASP 97 N 0.48 0.80 0.00 -0.43 3.58 -0.78 -3.39 116.42 116.69 3fg0 h ASP 97 Ca 0.20 -0.66 0.00 0.00 0.42 0.00 0.00 57.03 56.99 3fg0 h ASP 97 Cb 0.08 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.89 3fg0 h ASP 97 CO -0.12 1.46 -1.06 0.35 -2.88 0.00 0.00 179.24 176.98 3fg0 n THR 98 N -3.81 0.00 0.00 2.25 -2.24 -0.01 -4.58 114.28 105.88 3fg0 n THR 98 Ca -0.10 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 3fg0 n THR 98 Cb 0.88 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 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 1.56 2.30 3.71 3.38 0.00 0.17 -4.74 105.19 111.57 3fg0 n GLY 99 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.37 1.88 0.70 1.61 -2.85 -1.26 -4.22 119.74 115.24 3fg0 s LYS 100 Ca 0.00 1.83 -0.16 0.00 -1.00 0.00 0.00 55.97 56.64 3fg0 s LYS 100 Cb 0.00 -1.80 0.02 0.00 -2.06 0.00 0.00 37.83 33.99 3fg0 s LYS 100 CO 0.00 -2.04 1.24 0.95 0.10 0.00 0.00 175.35 175.59 3fg0 s THR 101 N -1.96 2.21 0.24 3.79 -4.23 -1.26 -4.58 115.64 109.86 3fg0 s THR 101 Ca 0.75 0.12 -0.06 0.00 -1.18 0.00 0.00 61.69 61.32 3fg0 s THR 101 Cb -0.31 -2.83 0.24 0.00 1.34 0.00 0.00 72.50 70.95 3fg0 s THR 101 CO 0.48 -0.05 1.91 0.25 -0.54 0.00 0.00 174.62 176.67 3fg0 h LEU 102 N 0.04 1.15 -1.04 4.79 5.85 -1.54 -1.10 115.31 123.46 3fg0 h LEU 102 Ca -0.49 -0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.20 3fg0 h LEU 102 Cb 1.31 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 42.00 3fg0 h LEU 102 CO 0.51 0.86 0.65 -0.33 -0.34 0.00 0.00 178.44 179.79 3fg0 h GLU 103 N 1.34 1.26 -0.50 1.25 4.39 -1.91 0.68 114.58 121.09 3fg0 h GLU 103 Ca 0.35 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 3fg0 h GLU 103 Cb -0.10 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.24 3fg0 h GLU 103 CO -0.07 0.84 0.16 0.93 -1.16 0.00 0.00 179.01 179.71 3fg0 h GLU 104 N 1.30 0.77 -0.61 2.33 5.08 -1.69 -2.30 114.58 119.46 3fg0 h GLU 104 Ca 0.37 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 3fg0 h GLU 104 Cb -0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 28.99 3fg0 h GLU 104 CO -0.09 0.71 0.30 0.77 -1.00 0.00 0.00 179.01 179.70 3fg0 h SER 105 N 0.67 0.76 -0.48 1.42 0.02 -0.32 -1.71 113.55 113.91 3fg0 h SER 105 Ca 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3fg0 h SER 105 Cb 0.26 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3fg0 h SER 105 CO -0.01 0.64 0.26 1.88 -1.14 0.00 0.00 176.83 178.47 3fg0 h TYR 106 N 0.85 0.66 -0.64 3.45 0.05 -0.59 -1.72 116.97 119.03 3fg0 h TYR 106 Ca 0.21 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 59.01 3fg0 h TYR 106 Cb 0.08 -0.21 -0.04 0.00 1.01 0.00 0.00 36.73 37.56 3fg0 h TYR 106 CO 0.01 0.49 0.38 0.00 -1.05 0.00 0.00 178.16 177.99 3fg0 h ALA 107 N 1.11 0.83 -0.40 3.88 0.00 -1.01 -1.05 119.26 122.62 3fg0 h ALA 107 Ca 0.17 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3fg0 h ALA 107 Cb 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 3fg0 h ALA 107 CO -0.03 0.11 0.12 -0.44 0.00 0.00 0.00 179.25 179.02 3fg0 h ASP 108 N 0.74 0.11 0.11 0.00 5.19 -1.02 -0.91 116.42 120.63 3fg0 h ASP 108 Ca 0.26 0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.62 3fg0 h ASP 108 Cb 0.07 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 3fg0 h ASP 108 CO -0.12 0.10 -0.36 0.24 -3.12 0.00 0.00 179.24 175.98 3fg0 h MET 109 N 0.28 0.35 -0.34 3.56 2.86 -0.71 0.16 114.93 121.08 3fg0 h MET 109 Ca 0.19 -0.16 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 3fg0 h MET 109 Cb 0.19 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 3fg0 h MET 109 CO -0.21 0.67 0.00 -0.44 1.06 0.00 0.00 176.91 177.99 3fg0 h ASP 110 N 0.30 0.59 -0.58 1.22 3.32 -1.00 -1.90 116.42 118.38 3fg0 h ASP 110 Ca 0.03 -0.31 0.04 0.00 0.02 0.00 0.00 57.03 56.82 3fg0 h ASP 110 Cb 0.77 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 40.12 3fg0 h ASP 110 CO 0.06 0.76 0.32 0.44 -1.72 0.00 0.00 179.24 179.10 3fg0 h ASP 111 N 0.41 0.49 -0.54 6.45 3.32 -0.64 -2.57 116.42 123.34 3fg0 h ASP 111 Ca 0.10 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 3fg0 h ASP 111 Cb 0.45 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3fg0 h ASP 111 CO 0.02 0.33 0.20 0.40 -1.72 0.00 0.00 179.24 178.47 3fg0 h ILE 112 N 0.62 1.22 -0.63 0.35 2.04 -0.58 0.55 117.51 121.09 3fg0 h ILE 112 Ca 0.25 -0.72 0.08 0.00 1.00 0.00 0.00 64.86 65.47 3fg0 h ILE 112 Cb 0.11 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.81 3fg0 h ILE 112 CO -0.14 0.27 0.28 -0.74 0.00 0.00 0.00 178.15 177.82 3fg0 h HIS 113 N 0.73 0.50 -0.05 1.37 2.76 -1.13 -2.01 115.15 117.33 3fg0 h HIS 113 Ca 0.18 0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.24 3fg0 h HIS 113 Cb 0.23 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3fg0 h HIS 113 CO 0.01 0.18 -0.59 -0.91 -1.30 0.00 0.00 177.93 175.31 3fg0 h ASN 114 N 0.50 0.17 -0.05 3.26 2.35 -0.98 -0.87 115.58 119.97 3fg0 h ASN 114 Ca 0.31 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3fg0 h ASN 114 Cb 0.33 -0.05 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3fg0 h ASN 114 CO -0.26 0.73 0.02 0.58 -1.65 0.00 0.00 177.43 176.84 3fg0 h VAL 115 N 0.12 1.15 -0.72 2.81 2.07 -0.48 -0.90 116.25 120.29 3fg0 h VAL 115 Ca -0.01 -0.43 -0.05 0.00 0.82 0.00 0.00 66.70 67.04 3fg0 h VAL 115 Cb 1.08 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.16 3fg0 h VAL 115 CO 0.09 0.12 0.27 -0.26 0.02 0.00 0.00 177.57 177.81 3fg0 h PHE 116 N -0.09 1.11 -0.36 1.57 0.04 -1.19 -2.59 116.94 115.43 3fg0 h PHE 116 Ca 0.02 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 3fg0 h PHE 116 Cb 0.18 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.98 3fg0 h PHE 116 CO -0.02 0.85 0.19 0.52 -0.60 0.00 0.00 178.31 179.26 3fg0 h MET 117 N 1.06 0.51 -0.15 1.51 2.86 -1.05 0.05 114.93 119.72 3fg0 h MET 117 Ca 0.24 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3fg0 h MET 117 Cb 0.23 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3fg0 h MET 117 CO -0.02 0.43 0.05 -0.92 1.06 0.00 0.00 176.91 177.52 3fg0 h TYR 118 N 0.46 0.09 -0.11 -0.22 3.20 -1.02 -1.20 116.97 118.17 3fg0 h TYR 118 Ca 0.13 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.88 3fg0 h TYR 118 Cb 0.08 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3fg0 h TYR 118 CO -0.02 0.05 -0.47 0.74 -1.64 0.00 0.00 178.16 176.82 3fg0 h PHE 119 N 0.13 0.32 -0.74 -3.82 0.04 -1.36 -0.44 116.94 111.06 3fg0 h PHE 119 Ca 0.06 -0.10 0.04 0.00 2.80 0.00 0.00 57.97 60.78 3fg0 h PHE 119 Cb 0.04 -0.07 -0.05 0.00 2.20 0.00 0.00 35.95 38.07 3fg0 h PHE 119 CO -0.11 0.69 0.45 0.00 -0.60 0.00 0.00 178.31 178.74 3fg0 h ALA 120 N 1.30 0.99 0.00 2.45 0.00 -0.62 -1.38 119.26 122.00 3fg0 h ALA 120 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3fg0 h ALA 120 Cb 0.91 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3fg0 h ALA 120 CO 0.07 0.21 -0.27 0.78 0.00 0.00 0.00 179.25 180.04 3fg0 h GLY 121 N 0.86 0.00 1.37 0.00 0.00 -0.63 -3.12 103.07 101.55 3fg0 h GLY 121 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3fg0 h GLY 121 CO -0.14 0.00 -0.60 -2.00 0.00 0.00 0.00 176.54 173.80 3fg0 h LEU 122 N 0.00 0.00 -0.85 3.11 5.85 -0.46 -3.40 115.31 119.56 3fg0 h LEU 122 Ca -0.00 -0.03 0.19 0.00 0.84 0.00 0.00 57.88 58.87 3fg0 h LEU 122 Cb 0.90 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 41.81 3fg0 h LEU 122 CO 0.04 0.02 0.36 0.00 -0.34 0.00 0.00 178.44 178.51 3fg0 h ALA 123 N 2.11 1.30 -0.42 1.25 0.00 -1.20 -2.33 119.26 119.96 3fg0 h ALA 123 Ca 0.00 0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3fg0 h ALA 123 Cb 0.95 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3fg0 h ALA 123 CO 0.00 -0.28 0.06 -0.40 0.00 0.00 0.00 179.25 178.63 3fg0 n ASP 124 N -5.02 3.57 -0.36 0.00 5.75 -1.26 -4.66 116.55 114.56 3fg0 n ASP 124 Ca 0.19 -3.36 0.11 0.00 -0.01 0.00 0.00 54.79 51.73 3fg0 n ASP 124 Cb 0.56 -0.63 0.08 0.00 -1.03 0.00 0.00 41.12 40.10 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 -0.70 0.94 -3.16 0.11 4.76 -0.88 -4.85 118.16 114.38 3fg0 n LYS 125 Ca 0.31 -0.73 0.04 0.00 -2.87 0.00 0.00 58.31 55.06 3fg0 n LYS 125 Cb 1.08 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.79 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 -2.57 -1.58 0.00 4.39 2.15 -1.26 -5.02 116.67 112.78 3fg0 s ASP 126 Ca 0.18 0.14 0.27 0.00 0.43 0.00 0.00 52.55 53.57 3fg0 s ASP 126 Cb 0.18 2.01 0.92 0.00 -0.30 0.00 0.00 42.92 45.73 3fg0 s ASP 126 CO 0.60 -0.30 1.67 0.61 -0.17 0.00 0.00 175.17 177.58 3fg0 n GLY 127 N 5.38 0.16 0.00 2.66 0.00 -1.26 -4.87 105.19 107.26 3fg0 n GLY 127 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.19 0.69 3.16 -0.02 0.00 -1.26 -1.29 105.19 107.66 3fg0 n GLY 128 Ca 0.18 -2.11 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 3fg0 n GLY 128 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3fg0 s GLU 129 N -0.90 0.70 -0.07 1.61 -1.05 -0.23 -4.98 118.70 113.79 3fg0 s GLU 129 Ca 0.00 -0.86 -0.15 0.00 -0.15 0.00 0.00 54.97 53.81 3fg0 s GLU 129 Cb 0.00 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 3fg0 s GLU 129 CO 0.00 -0.19 0.40 -1.64 0.95 0.00 0.00 175.26 174.78 3fg0 s MET 130 N -3.20 4.11 -0.09 -4.83 -1.94 -1.26 -0.37 119.30 111.72 3fg0 s MET 130 Ca -0.00 0.35 -0.02 0.00 -1.71 0.00 0.00 55.69 54.31 3fg0 s MET 130 Cb 0.02 -3.33 -0.03 0.00 2.01 0.00 0.00 34.83 33.50 3fg0 s MET 130 CO -0.07 0.44 -0.01 0.42 -0.01 0.00 0.00 175.02 175.78 3fg0 s ILE 131 N -0.24 4.21 -0.65 2.53 -1.09 -0.15 -4.95 121.20 120.87 3fg0 s ILE 131 Ca 0.23 -0.28 -0.23 0.00 -2.23 0.00 0.00 60.65 58.14 3fg0 s ILE 131 Cb -0.15 -2.77 0.06 0.00 -1.58 0.00 0.00 42.46 38.02 3fg0 s ILE 131 CO 0.10 0.59 0.98 -0.62 -1.23 0.00 0.00 174.94 174.76 3fg0 s ASP 132 N -0.73 6.19 0.25 3.58 2.15 -1.26 -4.31 116.67 122.54 3fg0 s ASP 132 Ca 0.11 -0.87 -0.30 0.00 0.43 0.00 0.00 52.55 51.92 3fg0 s ASP 132 Cb -0.12 -2.43 -0.10 0.00 -0.30 0.00 0.00 42.92 39.97 3fg0 s ASP 132 CO 0.02 -1.43 1.49 -0.55 -0.17 0.00 0.00 175.17 174.53 3fg0 s SER 133 N 3.56 6.58 0.00 -0.34 0.15 -1.26 -4.93 113.70 117.46 3fg0 s SER 133 Ca 0.24 2.72 0.31 0.00 0.70 0.00 0.00 55.95 59.92 3fg0 s SER 133 Cb -0.16 -2.62 1.68 0.00 -1.71 0.00 0.00 66.02 63.21 3fg0 s SER 133 CO 0.12 -0.77 2.12 -0.81 1.20 0.00 0.00 173.24 175.10 3fg0 n PRO 134 N 2.54 0.81 -3.66 5.44 -0.04 -1.26 -4.69 135.00 134.13 3fg0 n PRO 134 Ca 0.08 -0.06 -0.37 0.00 -0.04 0.00 0.00 63.50 63.11 3fg0 n PRO 134 Cb 0.39 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 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 -2.24 5.04 0.64 0.52 1.01 -1.26 -5.07 121.20 119.84 3fg0 s ILE 135 Ca 0.39 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.94 3fg0 s ILE 135 Cb 0.21 -3.38 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 3fg0 s ILE 135 CO 0.41 0.29 1.20 -2.65 0.00 0.00 0.00 174.94 174.19 3fg0 n PRO 136 N 4.85 1.04 -3.70 2.79 -0.02 -1.26 -3.25 135.00 135.45 3fg0 n PRO 136 Ca -0.15 0.41 -0.22 0.00 -2.02 0.00 0.00 63.50 61.52 3fg0 n PRO 136 Cb 0.52 -2.43 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 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 -1.59 -2.14 -3.96 2.55 8.00 -1.26 -4.95 116.55 113.20 3fg0 n ASP 137 Ca 0.15 -0.78 -0.09 0.00 0.71 0.00 0.00 54.79 54.79 3fg0 n ASP 137 Cb 0.48 -4.20 -0.10 0.00 -0.02 0.00 0.00 41.12 37.28 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 -3.55 0.13 -0.09 -3.53 -4.23 -1.20 -1.56 115.64 101.60 3fg0 s THR 138 Ca 0.15 -1.04 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 3fg0 s THR 138 Cb -0.07 -0.62 -0.02 0.00 1.34 0.00 0.00 72.50 73.13 3fg0 s THR 138 CO 0.80 -0.57 -0.14 -0.70 -0.54 0.00 0.00 174.62 173.48 3fg0 s GLU 139 N -2.07 2.97 -0.10 3.99 2.12 0.04 -4.84 118.70 120.81 3fg0 s GLU 139 Ca -0.10 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.56 3fg0 s GLU 139 Cb -0.05 -2.51 0.02 0.00 0.26 0.00 0.00 34.13 31.84 3fg0 s GLU 139 CO -0.03 0.41 -0.13 0.45 -0.54 0.00 0.00 175.26 175.42 3fg0 s SER 140 N -0.17 2.21 0.03 -1.70 0.15 -1.26 -0.97 113.70 111.99 3fg0 s SER 140 Ca -0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 3fg0 s SER 140 Cb -0.13 -0.97 -0.02 0.00 -1.71 0.00 0.00 66.02 63.18 3fg0 s SER 140 CO 0.03 -0.00 -0.04 -1.59 1.20 0.00 0.00 173.24 172.84 3fg0 s LYS 141 N 1.03 0.41 -0.21 5.44 -2.85 -0.78 -0.97 119.74 121.81 3fg0 s LYS 141 Ca -0.07 -0.77 -0.04 0.00 -1.00 0.00 0.00 55.97 54.10 3fg0 s LYS 141 Cb -0.15 0.06 -0.01 0.00 -2.06 0.00 0.00 37.83 35.67 3fg0 s LYS 141 CO -0.01 -0.05 -0.03 0.42 0.10 0.00 0.00 175.35 175.78 3fg0 s ILE 142 N -1.98 3.54 -0.13 3.79 -1.09 0.50 -0.64 121.20 125.19 3fg0 s ILE 142 Ca -0.10 -0.44 -0.01 0.00 -2.23 0.00 0.00 60.65 57.87 3fg0 s ILE 142 Cb -0.06 -2.60 -0.02 0.00 -1.58 0.00 0.00 42.46 38.20 3fg0 s ILE 142 CO -0.03 0.43 -0.10 0.68 -1.23 0.00 0.00 174.94 174.69 3fg0 s VAL 143 N 1.31 3.32 0.06 2.92 -7.23 0.47 -1.06 120.40 120.19 3fg0 s VAL 143 Ca 0.04 -0.57 -0.27 0.00 -1.81 0.00 0.00 61.98 59.36 3fg0 s VAL 143 Cb -0.14 -2.40 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 3fg0 s VAL 143 CO -0.01 0.52 0.86 -0.54 -0.31 0.00 0.00 175.10 175.62 3fg0 s LYS 144 N 0.21 4.58 0.14 4.82 -0.14 -0.41 -1.73 119.74 127.21 3fg0 s LYS 144 Ca -0.06 1.24 0.05 0.00 -1.36 0.00 0.00 55.97 55.84 3fg0 s LYS 144 Cb -0.15 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.58 3fg0 s LYS 144 CO 0.04 0.22 -0.12 -1.21 -0.76 0.00 0.00 175.35 173.52 3fg0 s GLU 145 N 0.10 1.05 0.52 1.68 2.02 -0.23 -4.91 118.70 118.93 3fg0 s GLU 145 Ca 0.43 -1.37 -0.22 0.00 0.02 0.00 0.00 54.97 53.82 3fg0 s GLU 145 Cb -0.21 -0.74 -0.06 0.00 0.10 0.00 0.00 34.13 33.22 3fg0 s GLU 145 CO 0.26 0.11 1.36 -1.25 0.02 0.00 0.00 175.26 175.76 3fg0 s PRO 146 N -3.33 3.27 0.36 0.39 0.04 -1.26 -0.16 135.00 134.32 3fg0 s PRO 146 Ca 0.14 2.23 0.09 0.00 0.04 0.00 0.00 61.00 63.50 3fg0 s PRO 146 Cb -0.00 -2.33 0.69 0.00 0.04 0.00 0.00 34.50 32.89 3fg0 s PRO 146 CO 0.02 -1.08 1.86 -0.24 0.04 0.00 0.00 177.00 177.59 3fg0 h VAL 147 N 1.62 1.21 0.00 -0.36 3.04 -1.36 -3.41 116.25 117.00 3fg0 h VAL 147 Ca -0.51 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 3fg0 h VAL 147 Cb 1.29 1.34 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 3fg0 h VAL 147 CO 0.58 0.30 0.00 0.61 -1.01 0.00 0.00 177.57 178.05 3fg0 n GLY 148 N -0.69 0.60 3.70 3.17 0.00 -1.26 -4.84 105.19 105.87 3fg0 n GLY 148 Ca -0.01 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.78 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 5.23 -0.03 1.61 1.01 -1.26 -2.48 120.40 124.48 3fg0 s VAL 149 Ca 0.00 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.72 3fg0 s VAL 149 Cb 0.00 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.66 3fg0 s VAL 149 CO 0.00 0.31 -0.17 0.68 0.00 0.00 0.00 175.10 175.92 3fg0 s VAL 150 N 0.92 1.37 -0.07 2.92 -7.23 -0.37 -0.45 120.40 117.49 3fg0 s VAL 150 Ca 0.19 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.65 3fg0 s VAL 150 Cb -0.14 -1.17 -0.03 0.00 0.56 0.00 0.00 36.38 35.60 3fg0 s VAL 150 CO 0.07 0.39 -0.00 0.42 -0.31 0.00 0.00 175.10 175.67 3fg0 s THR 151 N -0.08 4.25 -0.05 5.32 -4.23 -0.31 -1.43 115.64 119.11 3fg0 s THR 151 Ca -0.01 -0.30 -0.00 0.00 -1.18 0.00 0.00 61.69 60.20 3fg0 s THR 151 Cb -0.10 -2.80 0.03 0.00 1.34 0.00 0.00 72.50 70.97 3fg0 s THR 151 CO 0.01 0.58 -0.01 -1.10 -0.54 0.00 0.00 174.62 173.56 3fg0 s GLN 152 N -0.95 0.58 -0.10 3.99 -0.21 0.04 -1.01 119.66 122.01 3fg0 s GLN 152 Ca 0.14 0.05 0.01 0.00 0.02 0.00 0.00 55.36 55.58 3fg0 s GLN 152 Cb -0.11 -0.81 0.02 0.00 1.00 0.00 0.00 33.01 33.10 3fg0 s GLN 152 CO 0.03 -0.20 -0.12 0.42 -2.12 0.00 0.00 175.29 173.30 3fg0 s ILE 153 N 1.47 1.26 0.29 1.08 1.01 -0.54 -0.90 121.20 124.88 3fg0 s ILE 153 Ca -0.03 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.22 3fg0 s ILE 153 Cb -0.13 -1.18 -0.06 0.00 0.01 0.00 0.00 42.46 41.10 3fg0 s ILE 153 CO -0.03 0.39 -0.11 0.42 0.00 0.00 0.00 174.94 175.61 3fg0 s THR 154 N 1.11 2.05 0.46 2.92 -4.23 -1.07 -2.13 115.64 114.75 3fg0 s THR 154 Ca -0.05 -2.23 0.07 0.00 -1.18 0.00 0.00 61.69 58.30 3fg0 s THR 154 Cb -0.14 -2.43 0.07 0.00 1.34 0.00 0.00 72.50 71.34 3fg0 s THR 154 CO -0.02 -0.33 0.57 -0.81 -0.54 0.00 0.00 174.62 173.49 3fg0 n PRO 155 N -0.63 0.72 0.00 3.99 -0.04 -1.20 -2.28 135.00 135.56 3fg0 n PRO 155 Ca -0.06 -2.56 0.13 0.00 -0.04 0.00 0.00 63.50 60.97 3fg0 n PRO 155 Cb 0.62 -0.08 0.35 0.00 -0.04 0.00 0.00 33.50 34.36 3fg0 n PRO 155 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3fg0 n TRP 156 N -1.90 0.00 -0.02 0.54 4.27 -1.26 -4.09 117.44 114.98 3fg0 n TRP 156 Ca 0.10 0.00 -0.19 0.00 -3.89 0.00 0.00 57.50 53.52 3fg0 n TRP 156 Cb 0.49 -0.10 -0.13 0.00 -1.36 0.00 0.00 31.31 30.20 3fg0 n TRP 156 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3fg0 h ASN 157 N 1.43 0.24 -2.10 -0.67 -0.00 -1.97 -3.40 115.58 109.11 3fg0 h ASN 157 Ca 0.00 -0.87 -0.58 0.00 -0.00 0.00 0.00 56.30 54.85 3fg0 h ASN 157 Cb 0.53 -0.08 -0.41 0.00 -0.00 0.00 0.00 38.32 38.37 3fg0 h ASN 157 CO 0.00 1.36 -0.83 -1.22 -0.00 0.00 0.00 177.43 176.75 3fg0 n TYR 158 N -4.25 1.85 0.02 4.14 4.02 -1.26 -5.01 117.16 116.67 3fg0 n TYR 158 Ca -0.19 -3.89 -0.10 0.00 -0.01 0.00 0.00 57.90 53.71 3fg0 n TYR 158 Cb 0.73 -0.47 -0.04 0.00 -0.02 0.00 0.00 39.34 39.54 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 4.09 -0.12 -0.03 -0.72 0.11 -1.78 -0.82 132.00 132.72 3fg0 h PRO 159 Ca 0.14 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.07 3fg0 h PRO 159 Cb 0.76 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 3fg0 h PRO 159 CO 0.67 -0.08 -0.80 1.25 -0.21 0.00 0.00 178.00 178.83 3fg0 h LEU 160 N -0.12 0.33 0.00 2.35 5.85 -1.92 -1.83 115.31 119.97 3fg0 h LEU 160 Ca 0.06 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 58.55 3fg0 h LEU 160 Cb 0.21 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3fg0 h LEU 160 CO -0.15 0.99 -0.00 0.25 -0.34 0.00 0.00 178.44 179.19 3fg0 h LEU 161 N 0.17 -0.00 -1.17 2.25 5.85 -1.85 -0.33 115.31 120.23 3fg0 h LEU 161 Ca -0.04 -0.12 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3fg0 h LEU 161 Cb 1.39 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 3fg0 h LEU 161 CO 0.13 0.12 0.12 1.56 -0.34 0.00 0.00 178.44 180.02 3fg0 h GLN 162 N -0.12 0.70 -0.58 1.25 4.20 -1.15 -2.16 115.11 117.25 3fg0 h GLN 162 Ca -0.00 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 3fg0 h GLN 162 Cb 0.12 -0.11 -0.03 0.00 0.30 0.00 0.00 27.48 27.76 3fg0 h GLN 162 CO 0.00 0.63 0.20 0.00 -0.67 0.00 0.00 178.83 179.00 3fg0 h ALA 163 N 1.45 0.76 -0.60 3.87 0.00 -1.10 -3.12 119.26 120.52 3fg0 h ALA 163 Ca 0.15 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 163 Cb 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3fg0 h ALA 163 CO -0.00 0.41 0.18 0.66 0.00 0.00 0.00 179.25 180.49 3fg0 h SER 164 N 0.82 0.85 0.08 0.00 4.64 -0.44 0.18 113.55 119.68 3fg0 h SER 164 Ca 0.19 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3fg0 h SER 164 Cb 0.25 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3fg0 h SER 164 CO -0.01 0.80 -0.04 -0.50 -0.87 0.00 0.00 176.83 176.21 3fg0 h TRP 165 N 0.88 0.00 0.00 4.77 4.06 -1.38 -1.91 115.95 122.38 3fg0 h TRP 165 Ca 0.20 0.00 -0.38 0.00 2.06 0.00 0.00 58.89 60.77 3fg0 h TRP 165 Cb 0.27 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.37 3fg0 h TRP 165 CO 0.02 0.04 -2.08 1.63 -3.56 0.00 0.00 178.44 174.49 3fg0 n LYS 166 N -4.03 0.59 -0.14 0.49 5.02 -0.77 -4.47 118.16 114.86 3fg0 n LYS 166 Ca -0.03 0.37 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 3fg0 n LYS 166 Cb 0.13 -1.59 -0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3fg0 n LYS 166 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3fg0 h ILE 167 N -0.91 1.17 0.12 -0.18 2.04 -0.66 -2.81 117.51 116.28 3fg0 h ILE 167 Ca -0.57 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 64.84 3fg0 h ILE 167 Cb 1.54 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 3fg0 h ILE 167 CO -0.32 0.18 -0.21 0.00 0.00 0.00 0.00 178.15 177.80 3fg0 h ALA 168 N 1.05 -0.36 -0.19 1.87 0.00 -1.57 -0.33 119.26 119.74 3fg0 h ALA 168 Ca 0.14 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3fg0 h ALA 168 Cb 0.10 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3fg0 h ALA 168 CO -0.02 -0.74 -0.35 -1.00 0.00 0.00 0.00 179.25 177.14 3fg0 h PRO 169 N -0.40 0.39 0.01 0.00 0.13 -1.78 -1.37 132.00 128.98 3fg0 h PRO 169 Ca 0.02 -0.18 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 3fg0 h PRO 169 Cb 0.42 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 3fg0 h PRO 169 CO -0.11 0.70 -0.04 0.00 -0.23 0.00 0.00 178.00 178.32 3fg0 h ALA 170 N 1.29 -0.04 -0.45 -0.56 0.00 -1.19 -1.88 119.26 116.43 3fg0 h ALA 170 Ca 0.04 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3fg0 h ALA 170 Cb 0.78 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3fg0 h ALA 170 CO 0.06 -0.54 -0.12 -0.07 0.00 0.00 0.00 179.25 178.59 3fg0 h LEU 171 N -0.07 0.88 -1.12 0.00 3.38 -1.02 -1.46 115.31 115.91 3fg0 h LEU 171 Ca 0.01 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 57.71 3fg0 h LEU 171 Cb 0.09 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.53 3fg0 h LEU 171 CO -0.04 1.04 0.61 0.00 0.09 0.00 0.00 178.44 180.14 3fg0 h ALA 172 N 0.87 1.56 0.00 1.53 0.00 -1.09 -2.44 119.26 119.69 3fg0 h ALA 172 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3fg0 h ALA 172 Cb 0.66 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3fg0 h ALA 172 CO 0.05 0.25 -0.36 1.79 0.00 0.00 0.00 179.25 180.97 3fg0 h THR 173 N 0.97 0.00 0.00 0.00 1.35 -1.30 -3.45 112.91 110.49 3fg0 h THR 173 Ca 0.44 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3fg0 h THR 173 Cb 0.37 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3fg0 h THR 173 CO -0.20 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.68 3fg0 n GLY 174 N 1.25 1.10 3.81 5.82 0.00 -0.92 -3.99 105.19 112.25 3fg0 n GLY 174 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.81 6.13 0.07 0.00 0.01 -1.03 -4.65 113.70 110.42 3fg0 s SER 176 Ca 0.60 0.29 0.04 0.00 1.31 0.00 0.00 55.95 58.18 3fg0 s SER 176 Cb -0.14 -1.88 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3fg0 s SER 176 CO 0.55 0.28 -0.11 -1.48 0.41 0.00 0.00 173.24 172.89 3fg0 s LEU 177 N -1.77 2.30 -0.19 2.44 0.05 0.20 -1.24 118.68 120.48 3fg0 s LEU 177 Ca 0.24 -0.64 0.00 0.00 0.05 0.00 0.00 54.13 53.79 3fg0 s LEU 177 Cb -0.12 -0.33 0.04 0.00 -2.05 0.00 0.00 46.19 43.73 3fg0 s LEU 177 CO 0.15 -0.17 -0.09 -0.69 -0.55 0.00 0.00 176.35 175.01 3fg0 s VAL 178 N -1.62 1.46 0.04 1.48 1.01 -0.51 -1.24 120.40 121.01 3fg0 s VAL 178 Ca -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 61.98 61.13 3fg0 s VAL 178 Cb -0.08 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3fg0 s VAL 178 CO 0.01 0.16 -0.10 -0.32 0.00 0.00 0.00 175.10 174.85 3fg0 s MET 179 N 1.48 2.32 -0.18 2.72 0.00 0.20 -0.78 119.30 125.07 3fg0 s MET 179 Ca -0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 55.69 54.80 3fg0 s MET 179 Cb -0.16 -2.37 0.06 0.00 0.00 0.00 0.00 34.83 32.36 3fg0 s MET 179 CO -0.08 0.56 0.03 0.21 0.00 0.00 0.00 175.02 175.74 3fg0 s LYS 180 N -1.62 0.67 0.80 4.11 2.20 -0.08 -0.97 119.74 124.85 3fg0 s LYS 180 Ca 0.18 -0.38 -0.12 0.00 -0.36 0.00 0.00 55.97 55.29 3fg0 s LYS 180 Cb -0.11 -2.00 0.07 0.00 -1.51 0.00 0.00 37.83 34.28 3fg0 s LYS 180 CO 0.08 -0.60 1.17 -1.25 -0.36 0.00 0.00 175.35 174.39 3fg0 s PRO 181 N 1.86 2.08 0.23 4.03 0.04 -1.26 -2.58 135.00 139.40 3fg0 s PRO 181 Ca -0.00 0.17 -0.31 0.00 0.04 0.00 0.00 61.00 60.89 3fg0 s PRO 181 Cb -0.17 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.28 3fg0 s PRO 181 CO -0.08 -1.53 1.40 0.45 0.04 0.00 0.00 177.00 177.28 3fg0 n SER 182 N -3.28 2.67 0.30 6.66 2.88 -0.96 -4.68 113.62 117.20 3fg0 n SER 182 Ca 0.08 1.14 0.16 0.00 -1.33 0.00 0.00 58.87 58.92 3fg0 n SER 182 Cb 0.60 -1.41 0.92 0.00 -0.75 0.00 0.00 64.21 63.57 3fg0 n SER 182 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 3fg0 h GLU 183 N 4.19 0.00 0.00 -1.46 9.09 -1.91 -1.34 114.58 123.15 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 0.76 0.03 -0.39 0.44 0.05 0.00 0.00 179.01 179.90 3fg0 n ILE 184 N -3.66 0.11 -3.20 -1.06 -5.35 -1.26 -4.51 119.36 100.44 3fg0 n ILE 184 Ca -0.03 -0.08 -0.23 0.00 -0.27 0.00 0.00 62.75 62.15 3fg0 n ILE 184 Cb 0.12 -0.06 -0.06 0.00 -1.74 0.00 0.00 39.64 37.91 3fg0 n ILE 184 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3fg0 n THR 185 N -1.68 -0.17 1.09 7.28 -2.24 -0.50 -4.65 114.28 113.41 3fg0 n THR 185 Ca 0.05 -4.33 0.12 0.00 -2.27 0.00 0.00 64.05 57.62 3fg0 n THR 185 Cb 0.37 -1.46 0.18 0.00 -2.10 0.00 0.00 70.33 67.31 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 0.98 0.61 0.08 -0.78 -0.04 -1.24 -4.56 135.00 130.05 3fg0 n PRO 186 Ca 0.23 -0.43 -0.13 0.00 -0.04 0.00 0.00 63.50 63.14 3fg0 n PRO 186 Cb 0.55 -1.49 -0.07 0.00 -0.04 0.00 0.00 33.50 32.45 3fg0 n PRO 186 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3fg0 h LEU 187 N 1.05 -0.10 -0.96 1.53 3.38 -1.93 -0.72 115.31 117.56 3fg0 h LEU 187 Ca 0.00 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 3fg0 h LEU 187 Cb 0.56 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3fg0 h LEU 187 CO 0.00 -0.04 -0.39 0.71 0.09 0.00 0.00 178.44 178.81 3fg0 h THR 188 N -0.14 0.93 -0.16 0.22 1.35 -1.88 -1.52 112.91 111.70 3fg0 h THR 188 Ca -0.01 -1.53 -0.21 0.00 -0.55 0.00 0.00 66.41 64.11 3fg0 h THR 188 Cb 0.11 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 3fg0 h THR 188 CO 0.02 0.38 -0.72 0.74 -0.25 0.00 0.00 175.52 175.69 3fg0 h THR 189 N 0.00 1.30 -0.23 6.82 2.02 -1.76 -0.25 112.91 120.81 3fg0 h THR 189 Ca -0.00 -1.95 0.01 0.00 0.77 0.00 0.00 66.41 65.23 3fg0 h THR 189 Cb 0.89 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3fg0 h THR 189 CO 0.05 0.61 0.14 0.40 0.37 0.00 0.00 175.52 177.09 3fg0 h ILE 190 N 0.50 1.04 -0.71 3.11 2.04 -1.00 -1.90 117.51 120.61 3fg0 h ILE 190 Ca -0.03 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 3fg0 h ILE 190 Cb 1.33 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3fg0 h ILE 190 CO 0.14 0.05 0.41 -0.09 0.00 0.00 0.00 178.15 178.66 3fg0 h ARG 191 N 0.29 0.97 -0.12 2.37 9.65 -1.08 -1.31 114.38 125.15 3fg0 h ARG 191 Ca 0.09 -0.10 -0.07 0.00 -1.10 0.00 0.00 59.98 58.80 3fg0 h ARG 191 Cb -0.02 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.35 3fg0 h ARG 191 CO -0.03 0.71 -0.23 -0.24 2.80 0.00 0.00 179.97 182.98 3fg0 h VAL 192 N 0.97 1.22 -0.45 0.20 3.04 -0.91 -1.27 116.25 119.04 3fg0 h VAL 192 Ca 0.25 -1.04 -0.12 0.00 -1.01 0.00 0.00 66.70 64.78 3fg0 h VAL 192 Cb 0.00 1.39 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3fg0 h VAL 192 CO -0.04 0.31 -0.19 -0.26 -1.01 0.00 0.00 177.57 176.38 3fg0 h PHE 193 N 0.20 1.02 -0.63 3.17 -1.00 -0.62 0.25 116.94 119.33 3fg0 h PHE 193 Ca 0.03 -0.23 0.05 0.00 2.81 0.00 0.00 57.97 60.63 3fg0 h PHE 193 Cb 0.53 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.79 3fg0 h PHE 193 CO 0.01 1.01 0.35 0.93 -1.61 0.00 0.00 178.31 179.00 3fg0 h GLU 194 N 0.79 0.65 -0.49 1.51 5.08 -0.46 -0.41 114.58 121.25 3fg0 h GLU 194 Ca 0.11 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.30 3fg0 h GLU 194 Cb 0.73 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3fg0 h GLU 194 CO 0.06 0.43 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.21 3fg0 h LEU 195 N 0.66 1.03 -0.86 1.33 3.38 -0.80 -2.55 115.31 117.50 3fg0 h LEU 195 Ca 0.28 -0.39 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 3fg0 h LEU 195 Cb 0.14 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3fg0 h LEU 195 CO -0.16 1.19 0.14 0.24 0.09 0.00 0.00 178.44 179.94 3fg0 h MET 196 N 0.86 0.98 -0.57 1.13 2.86 -0.71 -2.29 114.93 117.20 3fg0 h MET 196 Ca 0.11 -0.23 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 3fg0 h MET 196 Cb 0.79 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 3fg0 h MET 196 CO 0.07 0.88 0.38 1.49 1.06 0.00 0.00 176.91 180.79 3fg0 h GLU 197 N 0.94 0.75 -1.01 1.72 4.81 -0.90 -1.67 114.58 119.22 3fg0 h GLU 197 Ca 0.20 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3fg0 h GLU 197 Cb 0.35 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 3fg0 h GLU 197 CO 0.00 0.50 0.66 0.93 -0.73 0.00 0.00 179.01 180.37 3fg0 h GLU 198 N 0.77 1.21 -0.62 1.92 5.08 -1.13 -2.27 114.58 119.54 3fg0 h GLU 198 Ca 0.21 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3fg0 h GLU 198 Cb -0.09 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 28.86 3fg0 h GLU 198 CO -0.04 0.80 0.29 0.28 -1.00 0.00 0.00 179.01 179.34 3fg0 h VAL 199 N 1.25 1.22 0.00 3.13 2.07 -0.89 -3.49 116.25 119.54 3fg0 h VAL 199 Ca 0.41 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 67.30 3fg0 h VAL 199 Cb 0.04 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3fg0 h VAL 199 CO -0.14 0.26 0.00 0.61 0.02 0.00 0.00 177.57 178.32 3fg0 n GLY 200 N -0.93 0.98 3.07 2.17 0.00 -0.68 -5.10 105.19 104.70 3fg0 n GLY 200 Ca 0.04 -1.05 -0.11 0.00 0.00 0.00 0.00 46.02 44.90 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 0.62 0.69 1.61 0.08 -1.26 -5.05 117.98 114.67 3fg0 s PHE 201 Ca 0.00 -0.62 -0.17 0.00 0.12 0.00 0.00 56.93 56.27 3fg0 s PHE 201 Cb 0.00 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 3fg0 s PHE 201 CO 0.00 -0.13 1.25 -2.14 -0.10 0.00 0.00 175.22 174.10 3fg0 s PRO 202 N -2.11 2.36 -0.08 0.24 0.02 -1.26 -4.86 135.00 129.31 3fg0 s PRO 202 Ca -0.06 1.92 -0.38 0.00 0.02 0.00 0.00 61.00 62.50 3fg0 s PRO 202 Cb -0.06 -1.84 -0.16 0.00 0.02 0.00 0.00 34.50 32.46 3fg0 s PRO 202 CO -0.01 -1.71 1.53 1.17 -0.33 0.00 0.00 177.00 177.65 3fg0 n LYS 203 N -2.28 1.18 0.00 5.54 4.81 -1.26 -1.62 118.16 124.53 3fg0 n LYS 203 Ca 0.15 0.43 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 3fg0 n LYS 203 Cb 0.49 -2.09 0.00 0.00 0.02 0.00 0.00 35.03 33.45 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 3.30 1.91 0.33 3.14 0.00 -1.26 -4.58 105.19 108.03 3fg0 n GLY 204 Ca 0.22 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 3fg0 n GLY 204 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fg0 h THR 205 N 0.00 1.26 -3.94 2.61 2.02 -1.59 -3.26 112.91 110.01 3fg0 h THR 205 Ca 0.00 -0.91 -0.59 0.00 0.77 0.00 0.00 66.41 65.68 3fg0 h THR 205 Cb 0.00 0.49 -0.31 0.00 -1.74 0.00 0.00 68.15 66.58 3fg0 h THR 205 CO 0.00 0.36 -0.85 0.27 0.37 0.00 0.00 175.52 175.67 3fg0 s ILE 206 N -5.36 1.55 -0.01 3.11 -4.36 -1.26 -0.62 121.20 114.24 3fg0 s ILE 206 Ca -0.12 -0.79 -0.03 0.00 -0.26 0.00 0.00 60.65 59.46 3fg0 s ILE 206 Cb 0.15 -1.33 -0.00 0.00 1.25 0.00 0.00 42.46 42.54 3fg0 s ILE 206 CO 0.84 0.44 0.06 0.20 0.24 0.00 0.00 174.94 176.72 3fg0 s ASN 207 N -0.02 0.01 -0.17 4.36 -0.87 -0.37 -4.52 114.94 113.37 3fg0 s ASN 207 Ca -0.03 -0.06 0.01 0.00 -1.57 0.00 0.00 52.86 51.20 3fg0 s ASN 207 Cb -0.12 0.14 0.02 0.00 -0.02 0.00 0.00 41.25 41.28 3fg0 s ASN 207 CO 0.02 -0.14 -0.18 -0.22 -2.57 0.00 0.00 177.10 174.01 3fg0 s LEU 208 N -0.53 2.01 -0.12 0.60 2.96 0.11 -0.62 118.68 123.08 3fg0 s LEU 208 Ca -0.06 -0.61 -0.03 0.00 -0.22 0.00 0.00 54.13 53.21 3fg0 s LEU 208 Cb -0.04 -1.39 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3fg0 s LEU 208 CO 0.00 -0.02 0.00 -0.63 -1.32 0.00 0.00 176.35 174.38 3fg0 s ILE 209 N 1.35 4.29 -0.14 6.68 -1.09 -0.15 -1.25 121.20 130.89 3fg0 s ILE 209 Ca 0.05 -0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 3fg0 s ILE 209 Cb -0.13 -2.85 -0.01 0.00 -1.58 0.00 0.00 42.46 37.90 3fg0 s ILE 209 CO -0.12 0.55 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.22 3fg0 s LEU 210 N -0.34 2.50 0.00 2.97 1.43 -1.26 -4.08 118.68 119.90 3fg0 s LEU 210 Ca 0.07 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.73 3fg0 s LEU 210 Cb -0.12 -1.56 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3fg0 s LEU 210 CO 0.02 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.33 3fg0 n GLY 211 N 3.86 1.49 3.76 -3.19 0.00 -1.26 0.41 105.19 110.26 3fg0 n GLY 211 Ca -0.19 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 3fg0 n GLY 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 212 N -2.00 3.51 0.40 4.61 0.00 -1.26 -4.26 121.76 122.76 3fg0 s ALA 212 Ca 0.00 1.24 0.07 0.00 0.00 0.00 0.00 51.96 53.27 3fg0 s ALA 212 Cb 0.00 -3.48 0.84 0.00 0.00 0.00 0.00 23.12 20.48 3fg0 s ALA 212 CO 0.00 -0.63 2.05 0.78 0.00 0.00 0.00 175.76 177.96 3fg0 h GLY 213 N 3.68 0.57 1.90 0.00 0.00 -1.95 -0.70 103.07 106.57 3fg0 h GLY 213 Ca -0.48 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 46.62 3fg0 h GLY 213 CO 0.67 0.22 0.00 -1.14 0.00 0.00 0.00 176.54 176.29 3fg0 n SER 214 N -4.46 0.00 -0.09 0.19 3.41 -1.26 -1.06 113.62 110.36 3fg0 n SER 214 Ca 0.03 0.39 -0.17 0.00 -0.26 0.00 0.00 58.87 58.86 3fg0 n SER 214 Cb 0.07 -0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.52 3fg0 n SER 214 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3fg0 n GLU 215 N -1.45 0.42 0.00 4.33 2.13 -0.36 -4.84 120.64 120.87 3fg0 n GLU 215 Ca 0.05 0.18 0.07 0.00 0.66 0.00 0.00 57.16 58.12 3fg0 n GLU 215 Cb 0.18 -1.22 -0.03 0.00 0.27 0.00 0.00 31.44 30.64 3fg0 n GLU 215 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3fg0 n VAL 216 N -4.03 0.00 -0.11 6.31 0.24 -0.64 -4.46 118.33 115.63 3fg0 n VAL 216 Ca -0.30 -0.28 -0.12 0.00 -2.04 0.00 0.00 64.34 61.60 3fg0 n VAL 216 Cb 0.65 1.12 -0.03 0.00 -1.47 0.00 0.00 33.84 34.11 3fg0 n VAL 216 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3fg0 h GLY 217 N 3.32 0.80 1.70 7.63 0.00 -1.23 -2.79 103.07 112.50 3fg0 h GLY 217 Ca 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 47.33 46.55 3fg0 h GLY 217 CO 0.00 0.67 0.00 -0.55 0.00 0.00 0.00 176.54 176.67 3fg0 h ASP 218 N 0.51 0.35 -0.47 0.19 3.32 -1.83 -0.33 116.42 118.16 3fg0 h ASP 218 Ca 0.07 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 3fg0 h ASP 218 Cb 0.75 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3fg0 h ASP 218 CO 0.06 0.42 0.22 0.58 -1.72 0.00 0.00 179.24 178.79 3fg0 h VAL 219 N 0.38 1.19 -0.08 -1.35 2.07 -1.82 0.89 116.25 117.52 3fg0 h VAL 219 Ca 0.09 -0.56 -0.11 0.00 0.82 0.00 0.00 66.70 66.93 3fg0 h VAL 219 Cb 0.25 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3fg0 h VAL 219 CO 0.01 0.22 -0.46 0.24 0.02 0.00 0.00 177.57 177.59 3fg0 h MET 220 N 0.62 0.20 0.00 1.57 2.86 -1.06 -2.15 114.93 116.97 3fg0 h MET 220 Ca 0.16 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 3fg0 h MET 220 Cb 0.14 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 3fg0 h MET 220 CO -0.02 0.63 -1.28 0.66 1.06 0.00 0.00 176.91 177.96 3fg0 h SER 221 N 0.17 0.00 -0.12 1.22 4.64 -1.03 -3.41 113.55 115.01 3fg0 h SER 221 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3fg0 h SER 221 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3fg0 h SER 221 CO 0.07 0.44 0.00 0.61 -0.87 0.00 0.00 176.83 177.08 3fg0 n GLY 222 N 1.34 0.72 3.74 -0.77 0.00 0.30 -3.51 105.19 107.01 3fg0 n GLY 222 Ca -0.07 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 3fg0 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fg0 s HIS 223 N -0.92 3.67 0.49 1.61 2.46 -0.82 -4.82 115.29 116.96 3fg0 s HIS 223 Ca 0.16 1.69 0.41 0.00 0.47 0.00 0.00 55.06 57.78 3fg0 s HIS 223 Cb 0.10 -3.21 2.07 0.00 -0.13 0.00 0.00 32.58 31.41 3fg0 s HIS 223 CO 0.14 -0.36 2.25 1.57 -2.47 0.00 0.00 174.74 175.86 3fg0 h LYS 224 N 4.74 0.00 -0.03 2.88 2.10 -1.95 -2.52 116.57 121.80 3fg0 h LYS 224 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 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 0.71 0.01 0.00 0.39 -2.00 0.00 0.00 179.45 178.55 3fg0 n GLU 225 N -3.13 1.53 -3.39 0.07 -0.58 -1.26 -4.85 120.64 109.03 3fg0 n GLU 225 Ca -0.02 -0.77 -0.38 0.00 -0.42 0.00 0.00 57.16 55.57 3fg0 n GLU 225 Cb 0.15 -1.47 -0.06 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.97 5.14 -0.12 2.62 1.01 -0.95 -4.56 120.40 121.56 3fg0 s VAL 226 Ca 0.39 0.89 0.19 0.00 0.00 0.00 0.00 61.98 63.44 3fg0 s VAL 226 Cb 0.20 -3.77 -0.23 0.00 0.00 0.00 0.00 36.38 32.58 3fg0 s VAL 226 CO 0.33 0.41 0.46 0.47 0.00 0.00 0.00 175.10 176.77 3fg0 n ASP 227 N 3.07 0.30 -3.73 3.32 8.00 0.41 -4.86 116.55 123.06 3fg0 n ASP 227 Ca -0.10 0.13 -0.13 0.00 0.71 0.00 0.00 54.79 55.40 3fg0 n ASP 227 Cb 0.52 1.03 -0.10 0.00 -0.02 0.00 0.00 41.12 42.54 3fg0 n ASP 227 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fg0 s LEU 228 N -5.28 0.44 -0.18 0.64 2.96 -1.14 -2.91 118.68 113.21 3fg0 s LEU 228 Ca -0.07 0.81 -0.00 0.00 -0.22 0.00 0.00 54.13 54.64 3fg0 s LEU 228 Cb 0.09 1.36 0.00 0.00 0.50 0.00 0.00 46.19 48.15 3fg0 s LEU 228 CO 0.85 -0.14 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.90 3fg0 s VAL 229 N 0.31 2.58 -0.18 1.68 1.01 -0.72 -1.16 120.40 123.92 3fg0 s VAL 229 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3fg0 s VAL 229 Cb -0.03 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.25 3fg0 s VAL 229 CO -0.01 0.51 -0.16 -0.55 0.00 0.00 0.00 175.10 174.89 3fg0 s SER 230 N 1.11 3.46 -0.02 3.32 0.15 -0.18 -1.48 113.70 120.08 3fg0 s SER 230 Ca 0.00 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.13 3fg0 s SER 230 Cb -0.14 -1.54 -0.00 0.00 -1.71 0.00 0.00 66.02 62.62 3fg0 s SER 230 CO -0.05 0.02 -0.10 0.12 1.20 0.00 0.00 173.24 174.43 3fg0 s PHE 231 N 1.17 0.97 -0.09 3.44 5.36 -0.22 -1.46 117.98 127.15 3fg0 s PHE 231 Ca 0.01 -0.21 0.02 0.00 -0.96 0.00 0.00 56.93 55.79 3fg0 s PHE 231 Cb -0.14 -0.65 0.02 0.00 -0.34 0.00 0.00 43.02 41.90 3fg0 s PHE 231 CO -0.07 -0.05 -0.12 0.99 -1.46 0.00 0.00 175.22 174.51 3fg0 s THR 232 N -0.08 1.24 -0.91 0.12 2.01 -0.91 -1.85 115.64 115.26 3fg0 s THR 232 Ca 0.01 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.51 3fg0 s THR 232 Cb -0.06 -1.16 0.00 0.00 0.01 0.00 0.00 72.50 71.30 3fg0 s THR 232 CO -0.00 0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.93 3fg0 n GLY 233 N 4.15 -0.71 3.96 4.40 0.00 -0.81 -3.24 105.19 112.94 3fg0 n GLY 233 Ca -0.20 -0.32 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 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 1.40 0.24 -0.02 0.00 -1.26 -3.64 107.32 104.04 3fg0 s GLY 234 Ca 0.00 -1.08 -0.06 0.00 0.00 0.00 0.00 44.72 43.59 3fg0 s GLY 234 CO 0.00 -1.00 1.85 1.19 0.00 0.00 0.00 173.10 175.14 3fg0 h ILE 235 N 0.76 1.05 -0.14 0.90 2.10 -1.92 -1.15 117.51 119.11 3fg0 h ILE 235 Ca -0.49 -0.33 -0.01 0.00 1.08 0.00 0.00 64.86 65.10 3fg0 h ILE 235 Cb 1.23 -0.01 -0.01 0.00 -1.09 0.00 0.00 36.82 36.95 3fg0 h ILE 235 CO 0.59 0.18 0.03 -0.33 -1.08 0.00 0.00 178.15 177.54 3fg0 h GLU 236 N 0.98 0.22 -0.60 2.19 4.39 -1.95 -0.73 114.58 119.08 3fg0 h GLU 236 Ca 0.37 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.92 3fg0 h GLU 236 Cb 0.15 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 3fg0 h GLU 236 CO -0.17 0.39 -0.00 1.15 -1.16 0.00 0.00 179.01 179.22 3fg0 h THR 237 N 0.02 1.27 -0.65 1.13 2.02 -1.95 -2.63 112.91 112.11 3fg0 h THR 237 Ca 0.04 -1.16 0.02 0.00 0.77 0.00 0.00 66.41 66.09 3fg0 h THR 237 Cb 0.27 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.45 3fg0 h THR 237 CO 0.00 0.42 0.41 1.23 0.37 0.00 0.00 175.52 177.95 3fg0 h GLY 238 N 0.96 0.93 1.04 2.16 0.00 -1.00 -0.16 103.07 107.01 3fg0 h GLY 238 Ca 0.17 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.12 3fg0 h GLY 238 CO 0.03 0.28 0.19 0.50 0.00 0.00 0.00 176.54 177.54 3fg0 h LYS 239 N 0.82 1.05 -0.34 4.80 1.57 -1.02 -0.78 116.57 122.67 3fg0 h LYS 239 Ca 0.26 -0.24 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3fg0 h LYS 239 Cb -0.01 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3fg0 h LYS 239 CO -0.09 0.93 0.20 1.25 -0.57 0.00 0.00 179.45 181.16 3fg0 h HIS 240 N 0.98 0.37 -0.52 -1.35 2.76 -1.07 -0.69 115.15 115.63 3fg0 h HIS 240 Ca 0.21 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.39 3fg0 h HIS 240 Cb 0.33 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3fg0 h HIS 240 CO 0.02 0.21 0.30 0.82 -1.30 0.00 0.00 177.93 177.99 3fg0 h ILE 241 N 0.40 1.17 -0.57 6.26 2.04 -0.88 -0.95 117.51 124.97 3fg0 h ILE 241 Ca 0.14 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3fg0 h ILE 241 Cb 0.01 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3fg0 h ILE 241 CO -0.07 0.17 0.18 -0.03 0.00 0.00 0.00 178.15 178.41 3fg0 h MET 242 N 0.69 0.89 -0.57 2.37 4.05 -0.78 0.91 114.93 122.49 3fg0 h MET 242 Ca 0.18 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.38 3fg0 h MET 242 Cb 0.02 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 3fg0 h MET 242 CO -0.03 0.80 0.22 0.87 0.23 0.00 0.00 176.91 179.00 3fg0 h LYS 243 N 0.81 0.83 -0.07 0.39 1.57 -0.92 -1.95 116.57 117.23 3fg0 h LYS 243 Ca 0.19 -0.13 -0.20 0.00 -1.87 0.00 0.00 60.65 58.64 3fg0 h LYS 243 Cb 0.28 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3fg0 h LYS 243 CO -0.01 0.69 -0.78 -0.97 -0.57 0.00 0.00 179.45 177.81 3fg0 h ASN 244 N 0.82 0.52 0.05 0.86 -1.24 -0.60 -3.07 115.58 112.92 3fg0 h ASN 244 Ca 0.19 -0.36 -0.04 0.00 0.71 0.00 0.00 56.30 56.81 3fg0 h ASN 244 Cb 0.17 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.06 3fg0 h ASN 244 CO -0.02 1.12 -0.12 0.00 -1.29 0.00 0.00 177.43 177.12 3fg0 h ALA 245 N 0.87 1.62 -0.13 1.57 0.00 -0.61 -2.37 119.26 120.22 3fg0 h ALA 245 Ca -0.04 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.74 3fg0 h ALA 245 Cb 1.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 3fg0 h ALA 245 CO 0.14 0.28 0.14 0.00 0.00 0.00 0.00 179.25 179.80 3fg0 h ALA 246 N 1.74 1.78 0.00 0.00 0.00 -1.25 -2.02 119.26 119.51 3fg0 h ALA 246 Ca 0.03 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fg0 h ALA 246 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3fg0 h ALA 246 CO 0.02 -0.20 -0.01 -0.91 0.00 0.00 0.00 179.25 178.15 3fg0 h ASN 247 N 0.00 0.00 0.00 0.00 2.35 -1.56 -2.14 115.58 114.23 3fg0 h ASN 247 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3fg0 h ASN 247 Cb 0.33 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.70 3fg0 h ASN 247 CO -0.00 0.01 -0.01 0.59 -1.65 0.00 0.00 177.43 176.36 3fg0 n ASN 248 N -4.07 2.13 -3.79 5.81 4.13 -1.04 -4.99 115.26 113.44 3fg0 n ASN 248 Ca -0.03 -2.61 -0.26 0.00 1.68 0.00 0.00 54.58 53.36 3fg0 n ASN 248 Cb 0.09 -0.25 0.04 0.00 -1.54 0.00 0.00 39.78 38.11 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 -1.02 -3.07 -2.94 2.41 0.31 -0.81 -4.92 118.33 108.28 3fg0 n VAL 249 Ca 0.09 -0.18 -0.40 0.00 -0.01 0.00 0.00 64.34 63.84 3fg0 n VAL 249 Cb 0.49 -3.36 -0.05 0.00 -0.91 0.00 0.00 33.84 30.01 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 -3.42 4.62 0.38 2.52 2.01 -0.79 -5.01 115.64 115.95 3fg0 s THR 250 Ca 0.42 1.72 -0.27 0.00 0.31 0.00 0.00 61.69 63.87 3fg0 s THR 250 Cb -0.21 -4.15 -0.11 0.00 0.01 0.00 0.00 72.50 68.04 3fg0 s THR 250 CO 0.81 0.39 1.32 0.59 -0.69 0.00 0.00 174.62 177.03 3fg0 n ASN 251 N 2.56 2.85 -4.21 3.53 3.02 -1.15 -4.71 115.26 117.16 3fg0 n ASN 251 Ca -0.02 1.17 -0.23 0.00 -0.03 0.00 0.00 54.58 55.46 3fg0 n ASN 251 Cb 0.50 -1.52 -0.14 0.00 -0.61 0.00 0.00 39.78 38.01 3fg0 n ASN 251 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3fg0 s ILE 252 N -1.14 1.46 -0.11 2.41 -0.00 -1.26 -1.75 121.20 120.80 3fg0 s ILE 252 Ca 0.57 -1.14 0.01 0.00 -0.00 0.00 0.00 60.65 60.10 3fg0 s ILE 252 Cb -0.53 -1.29 0.02 0.00 -0.00 0.00 0.00 42.46 40.67 3fg0 s ILE 252 CO 0.61 0.12 -0.13 0.00 -0.00 0.00 0.00 174.94 175.54 3fg0 s ALA 253 N -0.83 1.57 -0.01 2.27 0.00 -0.55 -4.75 121.76 119.47 3fg0 s ALA 253 Ca 0.05 -0.67 0.03 0.00 0.00 0.00 0.00 51.96 51.37 3fg0 s ALA 253 Cb -0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 23.12 22.18 3fg0 s ALA 253 CO 0.02 -0.18 -0.09 -0.51 0.00 0.00 0.00 175.76 175.00 3fg0 s LEU 254 N 1.19 1.96 -0.11 0.00 1.43 -0.02 -1.06 118.68 122.07 3fg0 s LEU 254 Ca -0.03 -0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 3fg0 s LEU 254 Cb -0.14 -0.49 0.03 0.00 0.03 0.00 0.00 46.19 45.62 3fg0 s LEU 254 CO -0.04 0.10 -0.01 -0.70 0.23 0.00 0.00 176.35 175.93 3fg0 s GLU 255 N -0.12 0.83 -0.15 1.70 -6.30 -0.77 -1.13 118.70 112.76 3fg0 s GLU 255 Ca 0.02 -0.10 0.16 0.00 -2.50 0.00 0.00 54.97 52.55 3fg0 s GLU 255 Cb -0.05 -1.38 0.33 0.00 0.00 0.00 0.00 34.13 33.03 3fg0 s GLU 255 CO -0.00 -0.37 1.17 1.28 0.02 0.00 0.00 175.26 177.35 3fg0 n LEU 256 N 5.07 2.36 0.00 2.70 4.77 0.65 -1.92 117.00 130.64 3fg0 n LEU 256 Ca -0.09 -3.27 0.00 0.00 -0.03 0.00 0.00 56.01 52.63 3fg0 n LEU 256 Cb 0.49 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 3fg0 n LEU 256 CO 0.12 0.92 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3fg0 n GLY 257 N -1.25 -1.87 3.86 -0.72 0.00 -1.24 -3.72 105.19 100.25 3fg0 n GLY 257 Ca 0.16 -1.75 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 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 -0.44 0.05 -0.62 -0.02 0.00 -1.25 -4.48 107.32 100.57 3fg0 s GLY 258 Ca 0.00 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.52 3fg0 s GLY 258 CO 0.00 2.04 0.43 1.25 0.00 0.00 0.00 173.10 176.82 3fg0 s LYS 259 N -2.33 2.05 -0.20 2.90 2.47 -1.26 -4.69 119.74 118.68 3fg0 s LYS 259 Ca 0.20 -2.97 -0.23 0.00 -1.56 0.00 0.00 55.97 51.41 3fg0 s LYS 259 Cb -0.02 -2.94 -0.02 0.00 -1.46 0.00 0.00 37.83 33.39 3fg0 s LYS 259 CO 0.05 -1.29 0.75 -0.80 0.16 0.00 0.00 175.35 174.21 3fg0 s ASN 260 N -0.97 6.81 0.26 1.43 0.01 -1.26 -4.89 114.94 116.33 3fg0 s ASN 260 Ca 0.26 0.99 -0.26 0.00 -0.71 0.00 0.00 52.86 53.14 3fg0 s ASN 260 Cb -0.05 -2.40 -0.09 0.00 0.41 0.00 0.00 41.25 39.11 3fg0 s ASN 260 CO -0.15 -0.38 0.88 -2.16 -1.51 0.00 0.00 177.10 173.78 3fg0 s PRO 261 N 2.24 4.58 -0.33 -0.60 0.04 -1.25 -2.79 135.00 136.89 3fg0 s PRO 261 Ca 0.33 1.25 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3fg0 s PRO 261 Cb -0.16 -2.99 0.10 0.00 0.04 0.00 0.00 34.50 31.49 3fg0 s PRO 261 CO 0.10 0.40 0.04 1.21 0.04 0.00 0.00 177.00 178.79 3fg0 s ASN 262 N -1.46 4.62 -0.35 6.66 3.84 0.58 -1.05 114.94 127.78 3fg0 s ASN 262 Ca 0.45 -2.01 -0.16 0.00 0.21 0.00 0.00 52.86 51.35 3fg0 s ASN 262 Cb -0.20 -1.50 -0.01 0.00 -0.55 0.00 0.00 41.25 38.99 3fg0 s ASN 262 CO 0.25 -0.37 0.40 -0.63 -2.79 0.00 0.00 177.10 173.96 3fg0 s ILE 263 N 1.03 5.13 -0.29 -5.21 1.01 -0.28 -1.04 121.20 121.55 3fg0 s ILE 263 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.77 3fg0 s ILE 263 Cb -0.19 -3.88 0.05 0.00 0.01 0.00 0.00 42.46 38.45 3fg0 s ILE 263 CO -0.10 -0.16 -0.02 -0.63 0.00 0.00 0.00 174.94 174.03 3fg0 s ILE 264 N 2.10 2.90 0.51 2.92 1.01 0.12 -0.27 121.20 130.49 3fg0 s ILE 264 Ca 0.13 -1.35 -0.08 0.00 0.00 0.00 0.00 60.65 59.36 3fg0 s ILE 264 Cb -0.16 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.62 3fg0 s ILE 264 CO 0.12 -0.05 0.86 -0.36 0.00 0.00 0.00 174.94 175.51 3fg0 s PHE 265 N 1.25 3.57 0.48 3.97 0.08 -0.74 -1.23 117.98 125.36 3fg0 s PHE 265 Ca -0.05 0.99 0.18 0.00 0.12 0.00 0.00 56.93 58.17 3fg0 s PHE 265 Cb -0.19 -2.45 1.18 0.00 -0.57 0.00 0.00 43.02 40.99 3fg0 s PHE 265 CO -0.02 -0.38 2.01 0.22 -0.10 0.00 0.00 175.22 176.95 3fg0 h ASP 266 N 0.19 0.20 -0.47 1.36 1.82 -1.89 -1.60 116.42 116.04 3fg0 h ASP 266 Ca -0.46 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.18 3fg0 h ASP 266 Cb 1.20 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.17 3fg0 h ASP 266 CO 0.62 0.12 0.00 -0.90 -1.61 0.00 0.00 179.24 177.47 3fg0 n ASP 267 N -4.45 4.36 -4.78 2.28 5.75 -1.26 -4.92 116.55 113.53 3fg0 n ASP 267 Ca 0.08 -2.58 -0.32 0.00 -0.01 0.00 0.00 54.79 51.96 3fg0 n ASP 267 Cb 0.40 -0.60 0.07 0.00 -1.03 0.00 0.00 41.12 39.97 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 -2.15 2.39 -0.36 2.12 0.00 -0.60 -1.24 121.76 121.92 3fg0 s ALA 268 Ca 0.41 0.31 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 3fg0 s ALA 268 Cb 0.30 -3.27 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 3fg0 s ALA 268 CO 0.15 -1.52 1.89 0.34 0.00 0.00 0.00 175.76 176.62 3fg0 s ASP 269 N -3.22 5.68 0.13 0.00 -1.08 -1.26 -4.82 116.67 112.09 3fg0 s ASP 269 Ca 0.62 1.25 -0.18 0.00 -0.52 0.00 0.00 52.55 53.72 3fg0 s ASP 269 Cb -0.17 -2.52 -0.04 0.00 -1.46 0.00 0.00 42.92 38.72 3fg0 s ASP 269 CO 0.51 -1.89 1.75 0.15 0.52 0.00 0.00 175.17 176.22 3fg0 h PHE 270 N 13.77 0.36 0.00 -5.34 3.57 -1.92 -0.92 116.94 126.46 3fg0 h PHE 270 Ca -0.33 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.03 3fg0 h PHE 270 Cb 1.18 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.78 3fg0 h PHE 270 CO 0.97 0.28 -0.63 0.93 -2.23 0.00 0.00 178.31 177.62 3fg0 h GLU 271 N 0.35 0.00 -0.59 1.11 4.39 -1.99 -1.04 114.58 116.80 3fg0 h GLU 271 Ca 0.10 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.78 3fg0 h GLU 271 Cb 0.02 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.64 3fg0 h GLU 271 CO -0.02 0.63 0.29 1.25 -1.16 0.00 0.00 179.01 180.01 3fg0 h LEU 272 N 0.00 0.77 -0.79 1.33 5.85 -1.92 -1.32 115.31 119.23 3fg0 h LEU 272 Ca -0.01 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 3fg0 h LEU 272 Cb 1.16 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 3fg0 h LEU 272 CO 0.08 0.68 -0.06 0.00 -0.34 0.00 0.00 178.44 178.80 3fg0 h ALA 273 N 1.12 0.98 -0.13 1.25 0.00 -0.71 0.87 119.26 122.65 3fg0 h ALA 273 Ca 0.21 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fg0 h ALA 273 Cb 0.10 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fg0 h ALA 273 CO -0.03 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.09 3fg0 h VAL 274 N 0.78 1.29 -0.42 0.00 2.07 -1.13 0.02 116.25 118.85 3fg0 h VAL 274 Ca 0.14 -0.96 0.07 0.00 0.82 0.00 0.00 66.70 66.77 3fg0 h VAL 274 Cb 0.55 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.92 3fg0 h VAL 274 CO 0.03 0.28 0.08 -0.78 0.02 0.00 0.00 177.57 177.20 3fg0 h ASP 275 N -0.05 0.01 1.40 0.57 3.58 -0.96 -2.02 116.42 118.95 3fg0 h ASP 275 Ca 0.03 0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.49 3fg0 h ASP 275 Cb 0.44 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3fg0 h ASP 275 CO 0.01 0.04 -0.30 1.56 -2.88 0.00 0.00 179.24 177.67 3fg0 h GLN 276 N 0.21 0.00 -0.49 0.28 1.08 -0.77 -1.89 115.11 113.53 3fg0 h GLN 276 Ca 0.21 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.31 3fg0 h GLN 276 Cb 0.25 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 3fg0 h GLN 276 CO -0.27 0.30 -0.07 0.00 -0.95 0.00 0.00 178.83 177.84 3fg0 h ALA 277 N 1.70 0.66 -0.05 3.87 0.00 -0.50 0.33 119.26 125.27 3fg0 h ALA 277 Ca -0.00 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fg0 h ALA 277 Cb 1.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 3fg0 h ALA 277 CO 0.04 0.54 0.03 -0.07 0.00 0.00 0.00 179.25 179.79 3fg0 h LEU 278 N 0.76 0.06 -0.54 0.00 3.38 -1.17 -0.46 115.31 117.34 3fg0 h LEU 278 Ca 0.13 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3fg0 h LEU 278 Cb 0.62 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 3fg0 h LEU 278 CO 0.04 0.11 0.31 0.78 0.09 0.00 0.00 178.44 179.77 3fg0 h ASN 279 N 0.01 0.67 -0.89 -0.43 2.35 -1.11 0.19 115.58 116.38 3fg0 h ASN 279 Ca 0.02 -0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 3fg0 h ASN 279 Cb 0.06 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.22 3fg0 h ASN 279 CO -0.00 0.55 0.53 1.23 -1.65 0.00 0.00 177.43 178.09 3fg0 h GLY 280 N 0.73 1.29 1.39 2.83 0.00 -0.25 -3.03 103.07 106.03 3fg0 h GLY 280 Ca 0.19 -0.54 -0.28 0.00 0.00 0.00 0.00 47.33 46.71 3fg0 h GLY 280 CO -0.03 0.52 -1.42 -1.33 0.00 0.00 0.00 176.54 174.27 3fg0 h GLY 281 N 1.23 0.18 0.00 4.60 0.00 -0.59 0.89 103.07 109.38 3fg0 h GLY 281 Ca 0.32 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3fg0 h GLY 281 CO -0.06 0.40 0.00 -1.72 0.00 0.00 0.00 176.54 175.16 3fg0 n TYR 282 N -3.37 0.00 -1.69 5.60 4.01 0.01 -3.58 117.16 118.14 3fg0 n TYR 282 Ca -0.12 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.19 3fg0 n TYR 282 Cb 1.02 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 40.04 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 -0.49 2.21 -3.95 -0.72 3.72 -1.15 -1.33 117.46 115.75 3fg0 n PHE 283 Ca 0.00 0.56 -0.32 0.00 -0.05 0.00 0.00 57.45 57.64 3fg0 n PHE 283 Cb 0.02 -2.41 -0.02 0.00 -0.94 0.00 0.00 39.48 36.14 3fg0 n PHE 283 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 3fg0 n HIS 284 N 0.38 -1.77 -2.65 1.38 -0.00 -1.26 -0.65 115.22 110.64 3fg0 n HIS 284 Ca 0.05 0.69 -0.17 0.00 0.46 0.00 0.00 57.72 58.75 3fg0 n HIS 284 Cb 0.36 -2.88 -0.00 0.00 -0.12 0.00 0.00 29.99 27.35 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 -4.11 -0.81 -0.97 1.57 0.00 -0.44 -1.40 120.51 114.35 3fg0 n ALA 285 Ca 0.06 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.64 3fg0 n ALA 285 Cb 0.50 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.74 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 -1.02 0.50 2.46 0.00 0.00 0.17 -0.84 105.19 106.47 3fg0 n GLY 286 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 3fg0 n GLY 286 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3fg0 n GLN 287 N -2.09 3.98 -4.42 1.61 6.02 -0.49 -3.73 117.38 118.26 3fg0 n GLN 287 Ca 0.00 -3.08 -0.21 0.00 -0.01 0.00 0.00 57.00 53.70 3fg0 n GLN 287 Cb 0.08 -2.51 -0.16 0.00 1.02 0.00 0.00 30.24 28.67 3fg0 n GLN 287 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3fg0 s VAL 288 N -1.19 0.85 0.38 5.09 1.01 -1.26 -4.83 120.40 120.44 3fg0 s VAL 288 Ca 0.56 -0.36 0.12 0.00 0.00 0.00 0.00 61.98 62.30 3fg0 s VAL 288 Cb 0.23 -0.77 0.34 0.00 0.00 0.00 0.00 36.38 36.18 3fg0 s VAL 288 CO -0.12 0.27 1.88 0.00 0.00 0.00 0.00 175.10 177.13 3fg0 n SER 290 N -4.53 3.30 -4.63 0.00 3.41 -1.26 -3.76 113.62 106.15 3fg0 n SER 290 Ca 0.17 -2.15 -0.43 0.00 -0.26 0.00 0.00 58.87 56.19 3fg0 n SER 290 Cb 0.50 -0.43 -0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3fg0 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg0 n ALA 291 N 0.98 0.32 -2.47 7.33 0.00 -0.55 -4.85 120.51 121.28 3fg0 n ALA 291 Ca 0.19 0.34 -0.43 0.00 0.00 0.00 0.00 53.44 53.54 3fg0 n ALA 291 Cb 0.57 -2.10 0.01 0.00 0.00 0.00 0.00 19.45 17.93 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 1.08 4.81 0.17 0.00 0.00 0.31 -4.05 105.19 107.50 3fg0 n GLY 292 Ca 0.08 -2.20 0.12 0.00 0.00 0.00 0.00 46.02 44.03 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 5.72 0.00 -3.62 1.61 4.64 -1.80 -3.36 113.55 116.74 3fg0 h SER 293 Ca 0.36 -0.01 -0.69 0.00 -0.47 0.00 0.00 61.79 60.98 3fg0 h SER 293 Cb 0.63 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.37 3fg0 h SER 293 CO 1.57 0.00 -0.54 -0.60 -0.87 0.00 0.00 176.83 176.39 3fg0 s ARG 294 N -3.17 2.02 -0.14 4.77 3.52 -1.12 -1.33 118.95 123.49 3fg0 s ARG 294 Ca 0.08 -1.95 -0.19 0.00 -0.13 0.00 0.00 55.73 53.54 3fg0 s ARG 294 Cb 0.08 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3fg0 s ARG 294 CO 0.65 -1.07 0.55 0.42 -0.81 0.00 0.00 175.30 175.03 3fg0 s ILE 295 N 0.91 5.12 -0.25 4.11 1.01 -0.42 -0.31 121.20 131.37 3fg0 s ILE 295 Ca 0.10 1.07 0.01 0.00 0.00 0.00 0.00 60.65 61.83 3fg0 s ILE 295 Cb -0.22 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.42 3fg0 s ILE 295 CO -0.04 0.24 -0.11 -0.76 0.00 0.00 0.00 174.94 174.27 3fg0 s LEU 296 N 1.13 3.19 -0.02 2.97 1.43 -0.21 -1.08 118.68 126.08 3fg0 s LEU 296 Ca 0.28 -1.14 0.07 0.00 -1.03 0.00 0.00 54.13 52.31 3fg0 s LEU 296 Cb -0.16 -1.57 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 3fg0 s LEU 296 CO 0.11 -0.15 -0.24 0.54 0.23 0.00 0.00 176.35 176.85 3fg0 s VAL 297 N 1.19 1.88 0.25 -1.59 0.11 -0.31 0.10 120.40 122.04 3fg0 s VAL 297 Ca -0.04 -1.01 -0.31 0.00 -2.93 0.00 0.00 61.98 57.69 3fg0 s VAL 297 Cb -0.18 -1.56 -0.11 0.00 -1.53 0.00 0.00 36.38 33.00 3fg0 s VAL 297 CO -0.06 0.53 1.59 -1.58 -3.33 0.00 0.00 175.10 172.25 3fg0 s GLN 298 N -0.52 4.16 0.41 1.54 0.74 -0.36 -1.44 119.66 124.18 3fg0 s GLN 298 Ca 0.08 2.52 0.18 0.00 0.05 0.00 0.00 55.36 58.19 3fg0 s GLN 298 Cb -0.09 -3.06 1.10 0.00 1.10 0.00 0.00 33.01 32.05 3fg0 s GLN 298 CO -0.01 -0.62 1.81 -0.91 -0.55 0.00 0.00 175.29 175.01 3fg0 h ASN 299 N 5.49 0.43 0.37 6.67 -0.26 -0.55 -1.16 115.58 126.56 3fg0 h ASN 299 Ca -0.46 0.06 -0.01 0.00 -0.56 0.00 0.00 56.30 55.33 3fg0 h ASN 299 Cb 1.21 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 3fg0 h ASN 299 CO 0.84 0.12 -0.06 0.77 -1.06 0.00 0.00 177.43 178.04 3fg0 h SER 300 N 0.40 0.00 0.00 5.81 4.64 -1.89 -2.83 113.55 119.67 3fg0 h SER 300 Ca 0.54 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.86 3fg0 h SER 300 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3fg0 h SER 300 CO -0.24 0.06 -0.02 2.30 -0.87 0.00 0.00 176.83 178.07 3fg0 n ILE 301 N -3.44 1.11 -0.14 0.95 -5.35 -0.51 -4.85 119.36 107.14 3fg0 n ILE 301 Ca -0.02 -1.21 -0.08 0.00 -0.27 0.00 0.00 62.75 61.17 3fg0 n ILE 301 Cb 0.20 0.35 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 0.57 -0.18 6.28 3.64 -1.12 0.99 116.57 126.75 3fg0 h LYS 302 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 3fg0 h LYS 302 Cb 0.70 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 3fg0 h LYS 302 CO 0.00 0.44 0.06 0.22 -2.27 0.00 0.00 179.45 177.90 3fg0 h ASP 303 N 0.54 0.25 -0.42 4.20 3.58 -1.89 0.59 116.42 123.27 3fg0 h ASP 303 Ca 0.15 -0.20 0.02 0.00 0.42 0.00 0.00 57.03 57.42 3fg0 h ASP 303 Cb 0.02 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 40.98 3fg0 h ASP 303 CO -0.03 0.38 0.25 0.50 -2.88 0.00 0.00 179.24 177.46 3fg0 h LYS 304 N 0.11 0.48 -0.07 0.28 3.64 -1.87 -1.40 116.57 117.74 3fg0 h LYS 304 Ca 0.06 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fg0 h LYS 304 Cb 0.22 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3fg0 h LYS 304 CO -0.00 0.32 0.04 0.35 -2.27 0.00 0.00 179.45 177.88 3fg0 h PHE 305 N 0.50 0.10 -0.66 1.91 3.57 -0.59 -2.24 116.94 119.52 3fg0 h PHE 305 Ca 0.17 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3fg0 h PHE 305 Cb 0.02 -0.03 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 3fg0 h PHE 305 CO -0.07 0.15 0.40 0.93 -2.23 0.00 0.00 178.31 177.48 3fg0 h GLU 306 N 0.02 0.74 -0.49 1.11 5.08 -0.68 0.28 114.58 120.63 3fg0 h GLU 306 Ca 0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3fg0 h GLU 306 Cb 0.09 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 3fg0 h GLU 306 CO -0.00 0.49 0.31 1.96 -1.00 0.00 0.00 179.01 180.76 3fg0 h GLN 307 N 0.76 0.66 -0.30 2.33 4.20 -1.17 -0.38 115.11 121.22 3fg0 h GLN 307 Ca 0.28 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.87 3fg0 h GLN 307 Cb 0.09 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 3fg0 h GLN 307 CO -0.14 0.46 -0.10 0.00 -0.67 0.00 0.00 178.83 178.39 3fg0 h ALA 308 N 1.16 0.41 -0.07 3.87 0.00 -0.93 -1.39 119.26 122.31 3fg0 h ALA 308 Ca 0.18 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3fg0 h ALA 308 Cb -0.04 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3fg0 h ALA 308 CO -0.04 0.26 0.03 1.25 0.00 0.00 0.00 179.25 180.75 3fg0 h LEU 309 N 0.35 0.10 -0.74 0.00 5.85 -0.85 -2.51 115.31 117.50 3fg0 h LEU 309 Ca 0.07 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3fg0 h LEU 309 Cb 0.59 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.54 3fg0 h LEU 309 CO 0.03 0.24 0.45 0.40 -0.34 0.00 0.00 178.44 179.23 3fg0 h ILE 310 N -0.05 1.03 -0.19 4.05 2.04 -0.99 -0.30 117.51 123.10 3fg0 h ILE 310 Ca 0.02 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.55 3fg0 h ILE 310 Cb 0.18 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3fg0 h ILE 310 CO -0.00 0.15 -0.08 -0.78 0.00 0.00 0.00 178.15 177.44 3fg0 h ASP 311 N 0.84 0.27 0.38 1.72 3.58 -1.19 -2.41 116.42 119.61 3fg0 h ASP 311 Ca 0.32 -0.05 -0.29 0.00 0.42 0.00 0.00 57.03 57.44 3fg0 h ASP 311 Cb 0.13 -0.07 0.02 0.00 1.72 0.00 0.00 39.33 41.12 3fg0 h ASP 311 CO -0.15 0.39 -1.24 0.03 -2.88 0.00 0.00 179.24 175.38 3fg0 h ARG 312 N 0.27 0.44 -0.54 0.28 2.47 -0.89 -3.33 114.38 113.08 3fg0 h ARG 312 Ca 0.06 -0.65 -0.00 0.00 -1.26 0.00 0.00 59.98 58.13 3fg0 h ARG 312 Cb 0.33 0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 3fg0 h ARG 312 CO 0.02 1.29 0.32 0.28 0.56 0.00 0.00 179.97 182.43 3fg0 h VAL 313 N 0.17 1.16 0.00 2.04 2.07 -0.68 -0.48 116.25 120.52 3fg0 h VAL 313 Ca -0.16 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3fg0 h VAL 313 Cb 1.93 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 3fg0 h VAL 313 CO 0.22 0.16 0.00 0.11 0.02 0.00 0.00 177.57 178.08 3fg0 h LYS 314 N 0.74 0.00 -0.01 1.57 1.57 -1.56 -2.63 116.57 116.26 3fg0 h LYS 314 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3fg0 h LYS 314 Cb -0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3fg0 h LYS 314 CO -0.04 0.00 -0.65 1.63 -0.57 0.00 0.00 179.45 179.82 3fg0 n LYS 315 N -2.70 0.75 -1.82 3.15 5.02 -0.20 -4.97 118.16 117.39 3fg0 n LYS 315 Ca -0.01 -0.61 -0.42 0.00 -2.02 0.00 0.00 58.31 55.25 3fg0 n LYS 315 Cb 0.14 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3fg0 n LYS 315 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3fg0 s ILE 316 N -2.67 2.26 -0.35 -0.18 1.01 -0.99 -4.94 121.20 115.34 3fg0 s ILE 316 Ca 0.15 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.80 3fg0 s ILE 316 Cb 0.17 -3.12 -0.00 0.00 0.01 0.00 0.00 42.46 39.52 3fg0 s ILE 316 CO 0.68 0.02 0.54 -0.54 0.00 0.00 0.00 174.94 175.64 3fg0 s LYS 317 N 0.99 3.65 0.20 2.79 1.02 -1.26 -5.00 119.74 122.13 3fg0 s LYS 317 Ca 0.72 -0.09 -0.07 0.00 0.02 0.00 0.00 55.97 56.55 3fg0 s LYS 317 Cb -0.47 -3.80 -0.06 0.00 -0.52 0.00 0.00 37.83 32.97 3fg0 s LYS 317 CO 0.33 -0.66 0.48 -0.51 -0.92 0.00 0.00 175.35 174.07 3fg0 s LEU 318 N 2.47 4.19 0.00 3.17 1.02 -1.26 -0.54 118.68 127.74 3fg0 s LEU 318 Ca 0.20 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.10 3fg0 s LEU 318 Cb -0.15 -3.50 0.00 0.00 0.02 0.00 0.00 46.19 42.56 3fg0 s LEU 318 CO 0.14 -0.04 0.00 0.61 0.02 0.00 0.00 176.35 177.08 3fg0 n GLY 319 N -0.17 -0.99 3.72 -3.19 0.00 -0.99 -4.91 105.19 98.66 3fg0 n GLY 319 Ca -0.01 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 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 6.70 0.60 1.61 3.84 -1.26 -4.26 114.94 118.17 3fg0 s ASN 320 Ca 0.00 2.51 0.31 0.00 0.21 0.00 0.00 52.86 55.89 3fg0 s ASN 320 Cb 0.00 -2.60 1.86 0.00 -0.55 0.00 0.00 41.25 39.96 3fg0 s ASN 320 CO 0.00 -0.72 2.24 1.23 -2.79 0.00 0.00 177.10 177.05 3fg0 h GLY 321 N 6.42 0.00 1.84 1.21 0.00 -1.81 -0.83 103.07 109.90 3fg0 h GLY 321 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3fg0 h GLY 321 CO 0.87 0.00 -0.08 0.69 0.00 0.00 0.00 176.54 178.02 3fg0 n PHE 322 N -3.74 0.03 -2.88 5.60 3.72 -1.26 -1.27 117.46 117.65 3fg0 n PHE 322 Ca -0.02 0.01 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 3fg0 n PHE 322 Cb 0.13 -0.48 -0.04 0.00 -0.94 0.00 0.00 39.48 38.16 3fg0 n PHE 322 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3fg0 s ASP 323 N -3.05 7.09 0.49 4.37 -1.08 -0.32 -4.90 116.67 119.28 3fg0 s ASP 323 Ca 0.13 1.33 0.19 0.00 -0.52 0.00 0.00 52.55 53.69 3fg0 s ASP 323 Cb 0.19 -2.48 1.23 0.00 -1.46 0.00 0.00 42.92 40.40 3fg0 s ASP 323 CO 0.56 -0.27 2.02 0.00 0.52 0.00 0.00 175.17 178.00 3fg0 h ALA 324 N 6.97 2.22 -0.00 3.66 0.00 -1.86 -2.31 119.26 127.94 3fg0 h ALA 324 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3fg0 h ALA 324 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3fg0 h ALA 324 CO 0.79 -0.33 -0.21 -0.25 0.00 0.00 0.00 179.25 179.25 3fg0 n ASP 325 N -4.45 0.46 -4.72 0.00 8.00 -1.26 -4.88 116.55 109.70 3fg0 n ASP 325 Ca 0.07 -0.32 -0.42 0.00 0.71 0.00 0.00 54.79 54.83 3fg0 n ASP 325 Cb 0.41 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.44 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 -2.71 3.03 -0.13 -3.53 2.01 -0.87 -4.83 115.64 108.61 3fg0 s THR 326 Ca 0.21 0.73 0.17 0.00 0.31 0.00 0.00 61.69 63.11 3fg0 s THR 326 Cb 0.19 -3.47 -0.25 0.00 0.01 0.00 0.00 72.50 68.98 3fg0 s THR 326 CO 0.55 0.05 0.19 -0.62 -0.69 0.00 0.00 174.62 174.10 3fg0 n GLU 327 N 4.01 0.88 -3.71 4.92 1.02 0.30 -4.97 120.64 123.10 3fg0 n GLU 327 Ca 0.13 -0.07 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 3fg0 n GLU 327 Cb 0.41 -1.47 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 3fg0 n GLU 327 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3fg0 s MET 328 N -2.75 0.23 0.00 3.49 1.75 -0.76 -4.86 119.30 116.39 3fg0 s MET 328 Ca -0.08 0.64 0.00 0.00 -1.25 0.00 0.00 55.69 54.99 3fg0 s MET 328 Cb 0.08 -0.07 0.00 0.00 2.84 0.00 0.00 34.83 37.68 3fg0 s MET 328 CO 0.77 -0.19 0.00 0.41 -0.65 0.00 0.00 175.02 175.36 3fg0 n GLY 329 N 4.53 0.29 3.83 2.11 0.00 -1.26 -2.35 105.19 112.34 3fg0 n GLY 329 Ca -0.20 -1.87 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 3fg0 n GLY 329 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fg0 s PRO 330 N -1.97 1.20 0.68 1.61 0.04 -1.26 -4.73 135.00 130.57 3fg0 s PRO 330 Ca 0.00 0.13 -0.04 0.00 0.04 0.00 0.00 61.00 61.13 3fg0 s PRO 330 Cb 0.00 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.75 3fg0 s PRO 330 CO 0.00 -2.12 0.96 0.14 0.04 0.00 0.00 177.00 176.02 3fg0 s VAL 331 N -3.43 2.35 0.20 -0.36 -7.23 0.26 -4.79 120.40 107.40 3fg0 s VAL 331 Ca 0.65 -0.40 0.07 0.00 -1.81 0.00 0.00 61.98 60.49 3fg0 s VAL 331 Cb -0.12 -2.95 -0.11 0.00 0.56 0.00 0.00 36.38 33.76 3fg0 s VAL 331 CO 0.52 0.00 1.46 -0.29 -0.31 0.00 0.00 175.10 176.48 3fg0 h ILE 332 N -0.46 1.53 -3.06 -0.62 6.09 -1.85 -3.43 117.51 115.72 3fg0 h ILE 332 Ca -0.43 -2.61 0.03 0.00 -1.37 0.00 0.00 64.86 60.48 3fg0 h ILE 332 Cb 1.30 2.42 -0.08 0.00 0.47 0.00 0.00 36.82 40.93 3fg0 h ILE 332 CO 0.55 0.75 0.19 -0.94 -3.07 0.00 0.00 178.15 175.63 3fg0 s SER 333 N -6.83 -0.34 0.26 2.19 1.04 -1.26 -4.71 113.70 104.05 3fg0 s SER 333 Ca -0.01 -0.44 -0.01 0.00 0.48 0.00 0.00 55.95 55.97 3fg0 s SER 333 Cb 0.11 0.67 0.33 0.00 0.10 0.00 0.00 66.02 67.23 3fg0 s SER 333 CO 0.80 -1.21 1.70 0.71 0.98 0.00 0.00 173.24 176.22 3fg0 h THR 334 N 2.03 1.26 -0.76 2.02 1.35 -1.98 -0.51 112.91 116.33 3fg0 h THR 334 Ca -0.24 -1.23 -0.05 0.00 -0.55 0.00 0.00 66.41 64.34 3fg0 h THR 334 Cb 1.27 1.21 -0.03 0.00 -1.73 0.00 0.00 68.15 68.87 3fg0 h THR 334 CO 0.29 0.40 0.28 -0.08 -0.25 0.00 0.00 175.52 176.17 3fg0 h GLU 335 N 0.56 1.15 -0.14 4.72 4.81 -1.99 0.59 114.58 124.28 3fg0 h GLU 335 Ca 0.09 -0.22 -0.15 0.00 -0.13 0.00 0.00 59.36 58.94 3fg0 h GLU 335 Cb 0.64 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.85 3fg0 h GLU 335 CO 0.05 0.95 -0.52 1.25 -0.73 0.00 0.00 179.01 180.01 3fg0 h HIS 336 N 1.10 0.78 -0.75 0.92 2.76 -1.89 -2.15 115.15 115.93 3fg0 h HIS 336 Ca 0.25 -0.33 0.04 0.00 -2.20 0.00 0.00 60.37 58.13 3fg0 h HIS 336 Cb 0.25 -0.13 -0.05 0.00 1.55 0.00 0.00 27.41 29.03 3fg0 h HIS 336 CO 0.02 1.11 0.46 -0.09 -1.30 0.00 0.00 177.93 178.13 3fg0 h ARG 337 N 0.23 0.86 -0.93 5.26 2.43 -0.98 -1.50 114.38 119.76 3fg0 h ARG 337 Ca -0.03 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3fg0 h ARG 337 Cb 1.15 -0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 3fg0 h ARG 337 CO 0.11 0.57 0.58 -0.91 -1.51 0.00 0.00 179.97 178.81 3fg0 h ASN 338 N 0.89 0.91 -0.30 -3.80 2.35 -0.80 -1.00 115.58 113.83 3fg0 h ASN 338 Ca 0.31 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.07 3fg0 h ASN 338 Cb 0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3fg0 h ASN 338 CO -0.13 0.57 0.18 0.50 -1.65 0.00 0.00 177.43 176.90 3fg0 h LYS 339 N 1.04 0.41 -0.24 0.81 3.64 -0.69 -0.03 116.57 121.51 3fg0 h LYS 339 Ca 0.41 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 3fg0 h LYS 339 Cb 0.22 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3fg0 h LYS 339 CO -0.19 0.33 0.13 0.82 -2.27 0.00 0.00 179.45 178.27 3fg0 h ILE 340 N 0.38 1.11 -0.58 2.00 2.04 -0.92 -1.77 117.51 119.76 3fg0 h ILE 340 Ca 0.11 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.71 3fg0 h ILE 340 Cb 0.03 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 3fg0 h ILE 340 CO -0.02 0.11 0.35 -0.33 0.00 0.00 0.00 178.15 178.25 3fg0 h GLU 341 N 0.28 0.66 -0.84 2.37 5.08 -1.08 -2.03 114.58 119.02 3fg0 h GLU 341 Ca 0.08 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 3fg0 h GLU 341 Cb 0.05 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.10 3fg0 h GLU 341 CO -0.01 0.44 0.55 1.03 -1.00 0.00 0.00 179.01 180.01 3fg0 h SER 342 N 0.68 0.83 0.92 1.42 0.87 -0.62 -0.77 113.55 116.88 3fg0 h SER 342 Ca 0.23 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3fg0 h SER 342 Cb 0.04 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.82 3fg0 h SER 342 CO -0.11 0.54 -0.09 1.88 -0.53 0.00 0.00 176.83 178.52 3fg0 h TYR 343 N 0.95 0.00 -0.60 2.24 0.05 -0.60 -1.90 116.97 117.10 3fg0 h TYR 343 Ca 0.36 0.00 -0.08 0.00 0.05 0.00 0.00 58.73 59.06 3fg0 h TYR 343 Cb 0.19 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 3fg0 h TYR 343 CO -0.00 0.09 0.07 0.52 -1.05 0.00 0.00 178.16 177.80 3fg0 h MET 344 N 0.00 1.02 -0.29 4.88 2.86 -0.85 -1.28 114.93 121.26 3fg0 h MET 344 Ca -0.00 -0.29 -0.12 0.00 -2.06 0.00 0.00 59.70 57.23 3fg0 h MET 344 Cb 0.58 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3fg0 h MET 344 CO 0.01 0.97 -0.33 -0.44 1.06 0.00 0.00 176.91 178.18 3fg0 h ASP 345 N 0.92 0.65 -0.14 1.22 3.32 -1.40 -1.85 116.42 119.14 3fg0 h ASP 345 Ca 0.18 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3fg0 h ASP 345 Cb 0.46 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 3fg0 h ASP 345 CO 0.02 0.93 0.09 0.58 -1.72 0.00 0.00 179.24 179.14 3fg0 h VAL 346 N 0.53 1.05 -0.12 -1.35 2.07 -1.11 -1.15 116.25 116.17 3fg0 h VAL 346 Ca 0.06 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.46 3fg0 h VAL 346 Cb 0.82 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 3fg0 h VAL 346 CO 0.07 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.77 3fg0 h ALA 347 N 1.03 0.15 -0.74 1.67 0.00 -1.09 -2.37 119.26 117.92 3fg0 h ALA 347 Ca 0.05 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3fg0 h ALA 347 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3fg0 h ALA 347 CO -0.01 -0.31 0.22 0.87 0.00 0.00 0.00 179.25 180.02 3fg0 h LYS 348 N 0.09 1.16 0.00 0.00 1.57 -1.31 -0.88 116.57 117.20 3fg0 h LYS 348 Ca 0.04 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.53 3fg0 h LYS 348 Cb 0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 3fg0 h LYS 348 CO -0.01 0.99 -0.19 0.00 -0.57 0.00 0.00 179.45 179.67 3fg0 h ALA 349 N 1.13 1.39 -0.44 3.86 0.00 -0.92 -1.96 119.26 122.31 3fg0 h ALA 349 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 349 Cb 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3fg0 h ALA 349 CO -0.01 0.24 0.00 -0.85 0.00 0.00 0.00 179.25 178.63 3fg0 n GLU 350 N -3.88 2.26 -0.00 0.00 0.28 -0.92 -4.94 120.64 113.44 3fg0 n GLU 350 Ca -0.02 -1.93 0.00 0.00 -0.16 0.00 0.00 57.16 55.06 3fg0 n GLU 350 Cb 0.28 -1.45 0.00 0.00 1.43 0.00 0.00 31.44 31.70 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3fg0 n GLY 351 N 1.38 0.94 3.93 -1.84 0.00 -0.74 -5.05 105.19 103.82 3fg0 n GLY 351 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 3fg0 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 352 N -2.00 3.25 -0.10 4.61 0.00 -0.35 -4.90 121.76 122.28 3fg0 s ALA 352 Ca 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 51.96 51.07 3fg0 s ALA 352 Cb 0.00 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 3fg0 s ALA 352 CO 0.00 -1.14 -0.15 0.99 0.00 0.00 0.00 175.76 175.46 3fg0 s THR 353 N -3.15 2.87 -0.72 0.00 2.01 -0.27 -4.27 115.64 112.11 3fg0 s THR 353 Ca 0.58 -0.75 -0.22 0.00 0.31 0.00 0.00 61.69 61.62 3fg0 s THR 353 Cb -0.11 -2.16 0.08 0.00 0.01 0.00 0.00 72.50 70.32 3fg0 s THR 353 CO 0.44 0.55 0.99 -0.63 -0.69 0.00 0.00 174.62 175.28 3fg0 s ILE 354 N 0.02 4.43 0.23 1.82 -1.09 -1.26 -1.30 121.20 124.04 3fg0 s ILE 354 Ca -0.05 -0.67 0.15 0.00 -2.23 0.00 0.00 60.65 57.85 3fg0 s ILE 354 Cb -0.15 -4.70 0.06 0.00 -1.58 0.00 0.00 42.46 36.09 3fg0 s ILE 354 CO 0.04 -1.46 1.69 0.00 -1.23 0.00 0.00 174.94 173.98 3fg0 h ALA 355 N 9.40 1.01 -1.99 9.38 0.00 -1.17 -3.46 119.26 132.44 3fg0 h ALA 355 Ca -0.18 -0.44 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 3fg0 h ALA 355 Cb 1.06 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.58 3fg0 h ALA 355 CO 1.17 0.60 0.19 0.54 0.00 0.00 0.00 179.25 181.75 3fg0 s VAL 356 N -3.65 0.00 0.00 0.00 0.11 -1.21 -4.98 120.40 110.67 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 0.12 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.97 3fg0 s VAL 356 CO 0.72 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.10 3fg0 n GLY 357 N 1.29 0.58 1.51 6.54 0.00 -1.25 -2.33 105.19 111.53 3fg0 n GLY 357 Ca -0.18 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 0.58 3.34 -0.02 0.00 -1.26 -5.00 105.19 102.83 3fg0 n GLY 358 Ca 0.00 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 3fg0 n GLY 358 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg0 s LYS 359 N -0.81 1.21 0.32 1.61 -2.85 -1.26 -4.99 119.74 112.97 3fg0 s LYS 359 Ca 0.00 -1.28 -0.28 0.00 -1.00 0.00 0.00 55.97 53.41 3fg0 s LYS 359 Cb 0.00 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 36.04 3fg0 s LYS 359 CO 0.00 -0.44 1.08 1.03 0.10 0.00 0.00 175.35 177.12 3fg0 s ARG 360 N -4.01 4.48 0.55 1.78 0.52 -1.26 -1.09 118.95 119.91 3fg0 s ARG 360 Ca 0.22 1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 56.96 3fg0 s ARG 360 Cb 0.04 -2.97 -0.05 0.00 0.52 0.00 0.00 34.95 32.48 3fg0 s ARG 360 CO 0.04 0.09 1.05 -1.25 0.02 0.00 0.00 175.30 175.25 3fg0 s PRO 361 N -1.79 3.52 0.00 3.54 0.04 -1.26 -4.88 135.00 134.16 3fg0 s PRO 361 Ca 0.49 1.23 0.20 0.00 0.04 0.00 0.00 61.00 62.96 3fg0 s PRO 361 Cb -0.29 -2.06 0.06 0.00 0.04 0.00 0.00 34.50 32.26 3fg0 s PRO 361 CO 0.36 -0.65 1.04 -0.40 0.04 0.00 0.00 177.00 177.39 3fg0 n ASP 362 N -1.67 2.19 -4.71 6.66 5.75 -1.26 -4.70 116.55 118.81 3fg0 n ASP 362 Ca 0.09 -1.59 -0.43 0.00 -0.01 0.00 0.00 54.79 52.84 3fg0 n ASP 362 Cb 0.53 0.27 -0.02 0.00 -1.03 0.00 0.00 41.12 40.86 3fg0 n ASP 362 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 3fg0 n ARG 363 N 0.45 2.44 -0.34 0.11 0.63 -1.26 -4.84 116.66 113.84 3fg0 n ARG 363 Ca 0.10 0.87 0.15 0.00 -0.92 0.00 0.00 57.85 58.05 3fg0 n ARG 363 Cb 0.44 -2.62 0.36 0.00 0.45 0.00 0.00 32.46 31.10 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 4.87 0.71 0.70 6.15 3.32 -2.01 -1.11 116.42 129.05 3fg0 h ASP 364 Ca -0.46 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3fg0 h ASP 364 Cb 1.24 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.77 3fg0 h ASP 364 CO 0.80 0.21 0.00 -0.90 -1.72 0.00 0.00 179.24 177.63 3fg0 n ASP 365 N -4.78 0.00 -0.18 6.45 5.75 -1.26 -2.99 116.55 119.54 3fg0 n ASP 365 Ca 0.24 0.13 0.08 0.00 -0.01 0.00 0.00 54.79 55.23 3fg0 n ASP 365 Cb 0.65 -0.37 -0.05 0.00 -1.03 0.00 0.00 41.12 40.32 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 -1.37 1.18 -0.23 -2.12 4.77 -0.44 -4.67 117.00 114.12 3fg0 n LEU 366 Ca 0.11 -0.62 -0.00 0.00 -0.03 0.00 0.00 56.01 55.46 3fg0 n LEU 366 Cb 0.26 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.57 3fg0 n LEU 366 CO 0.23 0.25 1.21 0.07 -1.33 0.00 0.00 177.39 177.83 3fg0 h LYS 367 N 0.86 1.03 -0.00 3.23 2.10 -1.39 -2.58 116.57 119.82 3fg0 h LYS 367 Ca 0.00 -0.08 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 3fg0 h LYS 367 Cb 0.47 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 3fg0 h LYS 367 CO 0.00 0.71 -0.22 -0.25 -2.00 0.00 0.00 179.45 177.68 3fg0 n ASP 368 N -4.39 0.35 -4.99 7.07 8.00 -1.26 -4.91 116.55 116.41 3fg0 n ASP 368 Ca 0.08 -0.11 -0.19 0.00 0.71 0.00 0.00 54.79 55.28 3fg0 n ASP 368 Cb 0.05 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.08 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 -2.84 1.95 -0.90 0.44 0.00 -0.97 -3.93 107.32 101.06 3fg0 s GLY 369 Ca 0.17 -1.80 -0.05 0.00 0.00 0.00 0.00 44.72 43.04 3fg0 s GLY 369 CO 0.58 -1.60 2.68 1.04 0.00 0.00 0.00 173.10 175.81 3fg0 n LEU 370 N -1.89 7.27 -4.86 0.66 4.77 -0.56 -4.97 117.00 117.42 3fg0 n LEU 370 Ca 0.09 -4.39 -0.32 0.00 -0.03 0.00 0.00 56.01 51.35 3fg0 n LEU 370 Cb 0.60 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.31 3fg0 n LEU 370 CO 0.40 1.91 0.38 -0.36 -1.33 0.00 0.00 177.39 178.39 3fg0 s PHE 371 N -0.95 3.39 -0.08 -1.77 0.40 -1.26 -0.57 117.98 117.14 3fg0 s PHE 371 Ca 0.58 1.13 -0.05 0.00 -0.60 0.00 0.00 56.93 57.99 3fg0 s PHE 371 Cb 0.27 -2.47 0.03 0.00 0.51 0.00 0.00 43.02 41.37 3fg0 s PHE 371 CO -0.13 0.10 0.20 0.12 0.70 0.00 0.00 175.22 176.20 3fg0 s PHE 372 N -2.01 -0.24 0.35 0.36 5.36 -1.26 -4.42 117.98 116.12 3fg0 s PHE 372 Ca 0.52 0.60 -0.28 0.00 -0.96 0.00 0.00 56.93 56.82 3fg0 s PHE 372 Cb -0.10 0.02 -0.10 0.00 -0.34 0.00 0.00 43.02 42.50 3fg0 s PHE 372 CO 0.20 -0.17 1.30 -1.21 -1.46 0.00 0.00 175.22 173.88 3fg0 s GLU 373 N 0.79 4.24 0.35 10.12 2.02 -0.25 -4.91 118.70 131.06 3fg0 s GLU 373 Ca -0.06 2.18 -0.29 0.00 0.02 0.00 0.00 54.97 56.82 3fg0 s GLU 373 Cb -0.07 -2.97 -0.11 0.00 0.10 0.00 0.00 34.13 31.07 3fg0 s GLU 373 CO -0.04 -0.27 1.53 -0.35 0.02 0.00 0.00 175.26 176.15 3fg0 n PRO 374 N 0.59 2.69 -4.42 0.39 -0.04 -1.26 -4.16 135.00 128.80 3fg0 n PRO 374 Ca 0.01 0.95 -0.20 0.00 -0.04 0.00 0.00 63.50 64.22 3fg0 n PRO 374 Cb 0.42 -2.70 -0.14 0.00 -0.04 0.00 0.00 33.50 31.04 3fg0 n PRO 374 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3fg0 s THR 375 N -0.69 0.96 -0.10 0.52 2.01 0.44 -3.93 115.64 114.86 3fg0 s THR 375 Ca 0.57 -0.72 0.03 0.00 0.31 0.00 0.00 61.69 61.88 3fg0 s THR 375 Cb -0.48 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.19 3fg0 s THR 375 CO 0.58 0.12 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.76 3fg0 s VAL 376 N -0.56 1.61 -0.18 3.82 1.01 -0.99 -2.00 120.40 123.12 3fg0 s VAL 376 Ca 0.03 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 3fg0 s VAL 376 Cb -0.06 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3fg0 s VAL 376 CO 0.00 0.46 -0.08 -0.63 0.00 0.00 0.00 175.10 174.85 3fg0 s ILE 377 N 0.67 3.23 0.51 2.22 1.01 0.05 -0.51 121.20 128.38 3fg0 s ILE 377 Ca -0.13 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 59.97 3fg0 s ILE 377 Cb -0.16 -2.42 -0.01 0.00 0.01 0.00 0.00 42.46 39.88 3fg0 s ILE 377 CO 0.03 0.48 0.04 0.42 0.00 0.00 0.00 174.94 175.91 3fg0 s THR 378 N 0.92 1.27 -1.32 2.92 -4.23 -0.42 -1.23 115.64 113.55 3fg0 s THR 378 Ca -0.02 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.49 3fg0 s THR 378 Cb -0.15 -2.23 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3fg0 s THR 378 CO 0.00 0.00 0.98 0.59 -0.54 0.00 0.00 174.62 175.65 3fg0 n ASN 379 N -1.28 -3.41 -4.90 3.99 3.02 -1.26 -1.12 115.26 110.29 3fg0 n ASN 379 Ca -0.17 -0.67 -0.22 0.00 -0.03 0.00 0.00 54.58 53.49 3fg0 n ASN 379 Cb 0.67 -4.66 -0.01 0.00 -0.61 0.00 0.00 39.78 35.16 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 -4.24 -0.47 0.60 0.00 1.47 -1.26 -4.80 116.67 107.97 3fg0 s ASP 381 Ca 0.45 -0.17 0.40 0.00 1.18 0.00 0.00 52.55 54.41 3fg0 s ASP 381 Cb -0.03 0.62 2.08 0.00 -0.34 0.00 0.00 42.92 45.24 3fg0 s ASP 381 CO 0.27 -1.04 2.22 0.00 0.68 0.00 0.00 175.17 177.30 3fg0 h THR 382 N 2.04 0.00 0.00 2.11 1.03 -1.98 -0.30 112.91 115.80 3fg0 h THR 382 Ca -0.31 -0.11 0.00 0.00 -0.01 0.00 0.00 66.41 65.98 3fg0 h THR 382 Cb 1.29 1.06 0.00 0.00 -1.07 0.00 0.00 68.15 69.43 3fg0 h THR 382 CO 0.36 0.00 0.00 0.77 -0.01 0.00 0.00 175.52 176.64 3fg0 h SER 383 N 0.00 0.00 -3.83 0.00 4.64 -1.98 -3.43 113.55 108.95 3fg0 h SER 383 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 3fg0 h SER 383 Cb 0.11 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3fg0 h SER 383 CO 0.00 0.00 0.35 -0.04 -0.87 0.00 0.00 176.83 176.27 3fg0 s MET 384 N -3.33 4.68 0.43 4.77 -1.94 -0.12 -4.96 119.30 118.82 3fg0 s MET 384 Ca 0.05 1.41 0.09 0.00 -1.71 0.00 0.00 55.69 55.53 3fg0 s MET 384 Cb 0.09 -2.99 0.92 0.00 2.01 0.00 0.00 34.83 34.87 3fg0 s MET 384 CO 0.50 0.36 2.06 0.00 -0.01 0.00 0.00 175.02 177.93 3fg0 h ARG 385 N 3.55 0.41 0.00 2.03 3.08 -1.88 -1.53 114.38 120.05 3fg0 h ARG 385 Ca -0.46 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 3fg0 h ARG 385 Cb 1.20 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 3fg0 h ARG 385 CO 0.66 0.30 -0.28 0.97 -1.07 0.00 0.00 179.97 180.55 3fg0 h ILE 386 N 0.42 1.18 0.14 2.04 6.09 -1.91 -0.62 117.51 124.85 3fg0 h ILE 386 Ca 0.11 -0.98 -0.30 0.00 -1.37 0.00 0.00 64.86 62.33 3fg0 h ILE 386 Cb -0.00 1.53 0.00 0.00 0.47 0.00 0.00 36.82 38.82 3fg0 h ILE 386 CO -0.02 0.28 -1.42 0.58 -3.07 0.00 0.00 178.15 174.49 3fg0 h VAL 387 N 0.00 1.29 0.00 2.19 2.07 -1.68 -3.38 116.25 116.74 3fg0 h VAL 387 Ca -0.00 -2.88 -0.22 0.00 0.82 0.00 0.00 66.70 64.42 3fg0 h VAL 387 Cb 0.51 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.10 3fg0 h VAL 387 CO 0.04 0.85 -1.16 1.56 0.02 0.00 0.00 177.57 178.88 3fg0 h GLN 388 N 0.08 0.00 -5.87 1.57 1.08 -0.83 -3.47 115.11 107.67 3fg0 h GLN 388 Ca -0.21 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.35 3fg0 h GLN 388 Cb 2.02 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 29.38 3fg0 h GLN 388 CO 0.19 0.79 -0.52 -1.21 -0.95 0.00 0.00 178.83 177.13 3fg0 s GLU 389 N -2.71 3.33 -0.42 1.46 2.02 -0.28 -4.76 118.70 117.33 3fg0 s GLU 389 Ca -0.00 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.32 3fg0 s GLU 389 Cb 0.09 -3.03 0.02 0.00 0.10 0.00 0.00 34.13 31.32 3fg0 s GLU 389 CO 0.81 0.67 1.21 -2.00 0.02 0.00 0.00 175.26 175.97 3fg0 s GLU 390 N -1.89 3.76 -0.02 1.61 2.12 -1.26 -4.88 118.70 118.14 3fg0 s GLU 390 Ca 0.26 0.80 -0.06 0.00 0.36 0.00 0.00 54.97 56.33 3fg0 s GLU 390 Cb -0.12 -3.91 -0.29 0.00 0.26 0.00 0.00 34.13 30.07 3fg0 s GLU 390 CO 0.17 -1.33 0.79 0.28 -0.54 0.00 0.00 175.26 174.64 3fg0 h VAL 391 N 6.18 1.07 -4.89 3.70 2.07 -1.91 -3.49 116.25 118.99 3fg0 h VAL 391 Ca -0.24 -2.69 -0.38 0.00 0.82 0.00 0.00 66.70 64.21 3fg0 h VAL 391 Cb 1.07 2.76 0.09 0.00 -1.52 0.00 0.00 31.29 33.70 3fg0 h VAL 391 CO 1.09 0.83 -0.61 0.33 0.02 0.00 0.00 177.57 179.23 3fg0 n PHE 392 N -3.50 -2.29 -4.29 1.57 7.35 -1.26 -4.73 117.46 110.31 3fg0 n PHE 392 Ca -0.19 0.72 -0.15 0.00 -0.76 0.00 0.00 57.45 57.06 3fg0 n PHE 392 Cb 1.06 -4.57 -0.05 0.00 0.35 0.00 0.00 39.48 36.27 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 -1.71 3.51 2.59 7.13 0.00 -1.24 -4.03 105.19 111.44 3fg0 n GLY 393 Ca -0.05 -1.99 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.54 3.56 -3.80 1.61 -0.04 -0.02 -4.16 135.00 131.61 3fg0 n PRO 394 Ca -0.02 -2.82 -0.14 0.00 -0.04 0.00 0.00 63.50 60.47 3fg0 n PRO 394 Cb 0.39 -2.96 -0.15 0.00 -0.04 0.00 0.00 33.50 30.73 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 1.57 -0.04 0.09 0.52 1.01 -1.26 -0.42 120.40 121.86 3fg0 s VAL 395 Ca 0.53 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.73 3fg0 s VAL 395 Cb 0.15 -0.07 -0.03 0.00 0.00 0.00 0.00 36.38 36.43 3fg0 s VAL 395 CO -0.06 0.06 -0.17 0.68 0.00 0.00 0.00 175.10 175.62 3fg0 s VAL 396 N 0.79 1.35 0.12 2.92 -7.23 -0.85 -4.70 120.40 112.80 3fg0 s VAL 396 Ca -0.07 -1.43 0.06 0.00 -1.81 0.00 0.00 61.98 58.74 3fg0 s VAL 396 Cb -0.09 -1.29 -0.04 0.00 0.56 0.00 0.00 36.38 35.52 3fg0 s VAL 396 CO -0.02 -0.18 -0.01 0.42 -0.31 0.00 0.00 175.10 174.99 3fg0 s THR 397 N -1.31 3.85 -0.12 5.32 -4.23 -0.45 -0.77 115.64 117.94 3fg0 s THR 397 Ca 0.02 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3fg0 s THR 397 Cb -0.10 -2.86 0.02 0.00 1.34 0.00 0.00 72.50 70.91 3fg0 s THR 397 CO 0.03 0.05 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.35 3fg0 s VAL 398 N -1.41 1.38 0.09 2.29 1.01 -0.36 -1.31 120.40 122.09 3fg0 s VAL 398 Ca 0.26 -0.53 0.10 0.00 0.00 0.00 0.00 61.98 61.81 3fg0 s VAL 398 Cb -0.11 -1.30 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 3fg0 s VAL 398 CO 0.18 0.42 -0.25 -1.61 0.00 0.00 0.00 175.10 173.84 3fg0 s GLU 399 N 1.39 1.50 0.19 2.72 2.02 -0.25 -4.00 118.70 122.28 3fg0 s GLU 399 Ca 0.01 -1.21 0.01 0.00 0.02 0.00 0.00 54.97 53.80 3fg0 s GLU 399 Cb -0.13 -1.83 -0.04 0.00 0.10 0.00 0.00 34.13 32.23 3fg0 s GLU 399 CO -0.07 0.45 0.36 0.20 0.02 0.00 0.00 175.26 176.22 3fg0 s GLY 400 N -1.68 1.68 0.05 -1.39 0.00 -1.26 -1.16 107.32 103.55 3fg0 s GLY 400 Ca 0.12 -0.95 0.03 0.00 0.00 0.00 0.00 44.72 43.92 3fg0 s GLY 400 CO 0.04 -0.92 -0.09 -0.11 0.00 0.00 0.00 173.10 172.02 3fg0 s PHE 401 N -1.86 0.78 -0.12 1.90 -0.12 -0.52 -4.86 117.98 113.19 3fg0 s PHE 401 Ca 0.37 -0.51 -0.14 0.00 -0.05 0.00 0.00 56.93 56.60 3fg0 s PHE 401 Cb -0.11 -0.46 -0.26 0.00 -0.63 0.00 0.00 43.02 41.56 3fg0 s PHE 401 CO 0.29 -0.06 0.47 1.49 -0.05 0.00 0.00 175.22 177.36 3fg0 h GLU 402 N 4.39 0.22 -4.75 1.99 4.57 -1.94 0.37 114.58 119.43 3fg0 h GLU 402 Ca -0.37 -0.38 -0.29 0.00 -1.18 0.00 0.00 59.36 57.14 3fg0 h GLU 402 Cb 1.20 0.14 -0.15 0.00 -0.16 0.00 0.00 28.75 29.78 3fg0 h GLU 402 CO 0.42 1.18 -0.63 0.95 -1.18 0.00 0.00 179.01 179.75 3fg0 s THR 403 N -2.49 0.42 0.22 0.32 -4.23 -1.26 -4.74 115.64 103.88 3fg0 s THR 403 Ca -0.22 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.22 3fg0 s THR 403 Cb 0.05 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.66 3fg0 s THR 403 CO 0.75 -0.16 1.69 -0.08 -0.54 0.00 0.00 174.62 176.27 3fg0 h GLU 404 N 2.56 0.22 -0.52 3.99 4.81 -1.99 -0.88 114.58 122.76 3fg0 h GLU 404 Ca -0.37 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.86 3fg0 h GLU 404 Cb 1.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.53 3fg0 h GLU 404 CO 0.59 0.15 0.33 0.37 -0.73 0.00 0.00 179.01 179.72 3fg0 h GLN 405 N 0.23 0.65 -0.65 1.92 4.15 -2.00 -1.99 115.11 117.42 3fg0 h GLN 405 Ca 0.34 -0.04 -0.09 0.00 0.77 0.00 0.00 58.65 59.64 3fg0 h GLN 405 Cb 0.54 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.06 3fg0 h GLN 405 CO -0.46 0.43 0.07 1.49 -1.93 0.00 0.00 178.83 178.43 3fg0 h GLU 406 N 0.67 1.10 -0.69 1.69 4.81 -1.81 -1.66 114.58 118.69 3fg0 h GLU 406 Ca 0.20 -0.31 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 3fg0 h GLU 406 Cb -0.04 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.17 3fg0 h GLU 406 CO -0.06 1.03 0.42 0.00 -0.73 0.00 0.00 179.01 179.66 3fg0 h ALA 407 N 1.04 0.92 -0.33 2.92 0.00 -0.76 0.09 119.26 123.14 3fg0 h ALA 407 Ca 0.19 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 3fg0 h ALA 407 Cb 0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3fg0 h ALA 407 CO 0.02 0.15 -0.07 0.82 0.00 0.00 0.00 179.25 180.17 3fg0 h ILE 408 N 0.79 1.28 -0.29 0.00 2.04 -1.18 -1.33 117.51 118.81 3fg0 h ILE 408 Ca 0.29 -1.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.04 3fg0 h ILE 408 Cb 0.10 1.32 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 3fg0 h ILE 408 CO -0.14 0.36 0.17 -0.61 0.00 0.00 0.00 178.15 177.93 3fg0 h GLN 409 N 0.42 0.40 -0.09 2.37 4.15 -0.86 -1.67 115.11 119.83 3fg0 h GLN 409 Ca 0.09 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 3fg0 h GLN 409 Cb 0.56 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.17 3fg0 h GLN 409 CO 0.03 0.33 0.00 -0.07 -1.93 0.00 0.00 178.83 177.20 3fg0 h LEU 410 N 0.37 0.15 -1.05 -2.39 3.38 -0.97 -2.61 115.31 112.18 3fg0 h LEU 410 Ca 0.10 -0.29 0.11 0.00 0.09 0.00 0.00 57.88 57.89 3fg0 h LEU 410 Cb 0.04 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 3fg0 h LEU 410 CO -0.02 0.41 0.63 0.00 0.09 0.00 0.00 178.44 179.55 3fg0 h ALA 411 N 0.75 1.54 -0.00 1.53 0.00 -1.12 -0.96 119.26 121.00 3fg0 h ALA 411 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 411 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3fg0 h ALA 411 CO 0.00 0.23 -0.06 0.09 0.00 0.00 0.00 179.25 179.52 3fg0 n ASN 412 N -4.59 0.23 -3.95 0.00 5.03 -0.64 -4.47 115.26 106.88 3fg0 n ASN 412 Ca 0.18 -0.38 -0.43 0.00 0.87 0.00 0.00 54.58 54.82 3fg0 n ASN 412 Cb 0.33 -0.16 0.00 0.00 -1.02 0.00 0.00 39.78 38.93 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 -1.12 5.15 -3.86 6.41 2.03 -0.37 -4.86 116.55 119.93 3fg0 n ASP 413 Ca 0.15 -3.10 -0.09 0.00 0.52 0.00 0.00 54.79 52.27 3fg0 n ASP 413 Cb 0.25 -1.48 -0.04 0.00 -0.72 0.00 0.00 41.12 39.14 3fg0 n ASP 413 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3fg0 s SER 414 N 1.02 -0.21 0.00 1.67 1.04 -1.26 -4.97 113.70 110.98 3fg0 s SER 414 Ca 0.40 -0.67 0.29 0.00 0.48 0.00 0.00 55.95 56.45 3fg0 s SER 414 Cb 0.08 0.64 1.32 0.00 0.10 0.00 0.00 66.02 68.16 3fg0 s SER 414 CO 0.01 -1.19 1.94 2.30 0.98 0.00 0.00 173.24 177.27 3fg0 n ILE 415 N -0.40 0.00 -3.24 -1.02 -5.35 -1.26 -4.92 119.36 103.17 3fg0 n ILE 415 Ca -0.05 -0.02 -0.21 0.00 -0.27 0.00 0.00 62.75 62.20 3fg0 n ILE 415 Cb 0.61 -0.34 0.05 0.00 -1.74 0.00 0.00 39.64 38.22 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 -2.66 1.44 -0.24 4.28 2.02 -1.26 -1.08 117.35 119.85 3fg0 s TYR 416 Ca 0.25 -0.76 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 3fg0 s TYR 416 Cb 0.20 -2.14 0.15 0.00 -0.40 0.00 0.00 41.96 39.78 3fg0 s TYR 416 CO 0.49 -1.00 1.02 0.41 -1.57 0.00 0.00 175.55 174.90 3fg0 n GLY 417 N -2.14 0.01 0.08 0.71 0.00 -1.18 -4.73 105.19 97.94 3fg0 n GLY 417 Ca 0.12 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.57 1.83 -3.69 0.99 7.94 -1.26 -0.56 117.00 121.68 3fg0 n LEU 418 Ca -0.14 0.57 -0.10 0.00 -1.11 0.00 0.00 56.01 55.23 3fg0 n LEU 418 Cb 0.67 -0.86 -0.04 0.00 0.53 0.00 0.00 43.42 43.72 3fg0 n LEU 418 CO -0.08 -0.34 0.27 0.00 -1.11 0.00 0.00 177.39 176.13 3fg0 s ALA 419 N -2.71 -1.02 0.03 1.96 0.00 -1.26 -1.82 121.76 116.95 3fg0 s ALA 419 Ca -0.19 -0.11 -0.28 0.00 0.00 0.00 0.00 51.96 51.38 3fg0 s ALA 419 Cb 0.03 0.83 0.10 0.00 0.00 0.00 0.00 23.12 24.08 3fg0 s ALA 419 CO 0.29 -0.78 1.21 0.20 0.00 0.00 0.00 175.76 176.68 3fg0 s GLY 420 N -2.85 -0.29 0.08 0.00 0.00 -0.71 -3.80 107.32 99.75 3fg0 s GLY 420 Ca 0.07 0.39 0.03 0.00 0.00 0.00 0.00 44.72 45.22 3fg0 s GLY 420 CO -0.05 1.13 -0.09 0.00 0.00 0.00 0.00 173.10 174.08 3fg0 s ALA 421 N -2.50 0.96 -0.11 3.20 0.00 -0.21 -0.91 121.76 122.20 3fg0 s ALA 421 Ca 0.17 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3fg0 s ALA 421 Cb 0.02 0.04 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3fg0 s ALA 421 CO -0.01 -0.04 -0.09 0.08 0.00 0.00 0.00 175.76 175.70 3fg0 s VAL 422 N -2.22 1.09 -0.28 0.00 1.01 -0.06 -1.12 120.40 118.82 3fg0 s VAL 422 Ca 0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 3fg0 s VAL 422 Cb -0.04 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 3fg0 s VAL 422 CO -0.00 0.37 0.09 -0.36 0.00 0.00 0.00 175.10 175.20 3fg0 s PHE 423 N 1.48 3.13 -0.28 5.22 0.08 0.63 -0.42 117.98 127.81 3fg0 s PHE 423 Ca 0.01 -0.75 -0.25 0.00 0.12 0.00 0.00 56.93 56.06 3fg0 s PHE 423 Cb -0.13 -2.27 0.12 0.00 -0.57 0.00 0.00 43.02 40.17 3fg0 s PHE 423 CO -0.06 -0.50 1.01 0.45 -0.10 0.00 0.00 175.22 176.02 3fg0 s SER 424 N 1.55 -0.47 0.43 1.36 0.15 -1.26 -1.80 113.70 113.66 3fg0 s SER 424 Ca 0.04 0.91 0.29 0.00 0.70 0.00 0.00 55.95 57.89 3fg0 s SER 424 Cb -0.17 0.93 1.09 0.00 -1.71 0.00 0.00 66.02 66.17 3fg0 s SER 424 CO 0.03 -0.16 1.85 0.11 1.20 0.00 0.00 173.24 176.27 3fg0 h LYS 425 N 4.29 0.00 -5.72 5.44 1.57 -1.49 -3.40 116.57 117.26 3fg0 h LYS 425 Ca -0.28 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 57.88 3fg0 h LYS 425 Cb 1.18 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.36 3fg0 h LYS 425 CO 0.10 0.00 1.06 0.34 -0.57 0.00 0.00 179.45 180.38 3fg0 s ASP 426 N -5.23 6.42 0.27 0.86 -1.08 -1.26 -4.86 116.67 111.78 3fg0 s ASP 426 Ca 0.03 -1.36 0.00 0.00 -0.52 0.00 0.00 52.55 50.71 3fg0 s ASP 426 Cb 0.09 -2.49 0.36 0.00 -1.46 0.00 0.00 42.92 39.42 3fg0 s ASP 426 CO 0.52 -1.43 1.71 0.40 0.52 0.00 0.00 175.17 176.89 3fg0 h ILE 427 N 6.24 1.26 -0.74 4.11 1.08 -2.00 -0.76 117.51 126.70 3fg0 h ILE 427 Ca 0.02 -1.23 0.03 0.00 -0.39 0.00 0.00 64.86 63.28 3fg0 h ILE 427 Cb 1.03 1.25 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 3fg0 h ILE 427 CO 1.27 0.40 0.47 1.23 -0.69 0.00 0.00 178.15 180.83 3fg0 h GLY 428 N 0.99 1.06 0.87 5.37 0.00 -1.96 0.16 103.07 109.57 3fg0 h GLY 428 Ca 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3fg0 h GLY 428 CO 0.05 0.31 0.04 1.70 0.00 0.00 0.00 176.54 178.64 3fg0 h LYS 429 N 0.93 0.44 -0.87 4.80 3.64 -1.79 -1.99 116.57 121.73 3fg0 h LYS 429 Ca 0.29 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.61 3fg0 h LYS 429 Cb -0.01 -0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 3fg0 h LYS 429 CO -0.10 0.56 0.54 0.00 -2.27 0.00 0.00 179.45 178.18 3fg0 h ALA 430 N 0.86 1.19 -0.65 5.00 0.00 -0.68 -1.41 119.26 123.57 3fg0 h ALA 430 Ca 0.08 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 430 Cb 0.34 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3fg0 h ALA 430 CO 0.01 0.30 0.10 1.96 0.00 0.00 0.00 179.25 181.61 3fg0 h GLN 431 N 0.99 1.08 -0.24 0.00 4.20 -0.85 0.30 115.11 120.60 3fg0 h GLN 431 Ca 0.38 -0.29 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3fg0 h GLN 431 Cb 0.16 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3fg0 h GLN 431 CO -0.17 1.00 0.11 0.00 -0.67 0.00 0.00 178.83 179.10 3fg0 h ARG 432 N 1.01 0.34 -0.26 1.46 3.08 -0.73 -1.79 114.38 117.48 3fg0 h ARG 432 Ca 0.20 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.21 3fg0 h ARG 432 Cb 0.45 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.42 3fg0 h ARG 432 CO 0.01 0.34 0.15 0.28 -1.07 0.00 0.00 179.97 179.68 3fg0 h VAL 433 N 0.25 1.02 -0.77 2.04 2.07 -1.09 -2.66 116.25 117.11 3fg0 h VAL 433 Ca 0.08 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.60 3fg0 h VAL 433 Cb 0.11 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 3fg0 h VAL 433 CO -0.01 0.06 0.51 0.00 0.02 0.00 0.00 177.57 178.14 3fg0 h ALA 434 N 1.12 1.81 0.00 1.67 0.00 -0.65 -0.46 119.26 122.75 3fg0 h ALA 434 Ca 0.10 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3fg0 h ALA 434 Cb 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3fg0 h ALA 434 CO -0.05 0.03 -0.15 -0.91 0.00 0.00 0.00 179.25 178.17 3fg0 h ASN 435 N 0.68 0.00 0.28 0.00 2.35 -0.99 -3.14 115.58 114.76 3fg0 h ASN 435 Ca 0.36 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3fg0 h ASN 435 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 3fg0 h ASN 435 CO -0.13 0.15 -1.14 0.29 -1.65 0.00 0.00 177.43 174.94 3fg0 n LYS 436 N -3.23 0.27 -2.58 0.81 5.02 -0.25 -4.91 118.16 113.28 3fg0 n LYS 436 Ca 0.01 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 3fg0 n LYS 436 Cb 0.44 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 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 -3.79 4.40 -1.24 -0.35 1.43 -0.77 -4.96 118.68 113.41 3fg0 s LEU 437 Ca 0.03 1.87 -0.15 0.00 -1.03 0.00 0.00 54.13 54.86 3fg0 s LEU 437 Cb 0.15 -3.58 0.15 0.00 0.03 0.00 0.00 46.19 42.93 3fg0 s LEU 437 CO 0.83 -0.31 1.53 0.29 0.23 0.00 0.00 176.35 178.92 3fg0 n LYS 438 N 3.53 3.33 -3.84 1.70 5.02 -1.26 -4.91 118.16 121.74 3fg0 n LYS 438 Ca 0.06 -3.70 -0.12 0.00 -2.02 0.00 0.00 58.31 52.53 3fg0 n LYS 438 Cb 0.48 -3.15 -0.12 0.00 -0.02 0.00 0.00 35.03 32.22 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 2.18 1.49 0.36 -0.35 1.43 -1.26 -4.45 118.68 118.08 3fg0 s LEU 439 Ca 0.46 0.17 0.12 0.00 -1.03 0.00 0.00 54.13 53.84 3fg0 s LEU 439 Cb -0.01 0.53 0.69 0.00 0.03 0.00 0.00 46.19 47.43 3fg0 s LEU 439 CO 0.02 -0.13 1.81 1.23 0.23 0.00 0.00 176.35 179.52 3fg0 h GLY 440 N 5.53 0.04 -6.37 -3.19 0.00 -0.76 -3.42 103.07 94.90 3fg0 h GLY 440 Ca -0.26 -0.04 -0.33 0.00 0.00 0.00 0.00 47.33 46.70 3fg0 h GLY 440 CO 0.41 0.03 -0.74 -1.59 0.00 0.00 0.00 176.54 174.65 3fg0 s THR 441 N -4.20 0.11 -0.10 4.70 2.01 -0.87 -4.79 115.64 112.50 3fg0 s THR 441 Ca -0.03 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.10 3fg0 s THR 441 Cb 0.14 -0.21 0.01 0.00 0.01 0.00 0.00 72.50 72.46 3fg0 s THR 441 CO 0.73 0.12 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.93 3fg0 s VAL 442 N 0.96 1.54 -0.14 3.82 1.01 -1.26 -1.74 120.40 124.58 3fg0 s VAL 442 Ca -0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.12 3fg0 s VAL 442 Cb -0.13 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3fg0 s VAL 442 CO -0.02 0.45 0.17 0.26 0.00 0.00 0.00 175.10 175.96 3fg0 s TRP 443 N 0.85 3.53 -0.29 5.22 0.51 -0.09 -4.99 118.94 123.69 3fg0 s TRP 443 Ca -0.09 0.50 -0.09 0.00 -2.12 0.00 0.00 56.10 54.30 3fg0 s TRP 443 Cb -0.15 -2.08 -0.02 0.00 -0.81 0.00 0.00 33.47 30.41 3fg0 s TRP 443 CO 0.00 0.53 0.12 0.42 -0.51 0.00 0.00 176.95 177.51 3fg0 s ILE 444 N -0.42 4.47 -1.41 2.03 1.01 -1.26 -0.88 121.20 124.75 3fg0 s ILE 444 Ca 0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 60.65 60.38 3fg0 s ILE 444 Cb -0.12 -3.21 0.04 0.00 0.01 0.00 0.00 42.46 39.18 3fg0 s ILE 444 CO 0.03 0.17 0.88 0.59 0.00 0.00 0.00 174.94 176.61 3fg0 n ASN 445 N 4.95 -3.26 -3.74 3.58 3.02 0.44 -4.97 115.26 115.28 3fg0 n ASN 445 Ca -0.15 -0.77 -0.06 0.00 -0.03 0.00 0.00 54.58 53.57 3fg0 n ASN 445 Cb 0.50 -4.11 -0.01 0.00 -0.61 0.00 0.00 39.78 35.55 3fg0 n ASN 445 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3fg0 s ASP 446 N -3.81 -0.21 -0.19 6.41 -1.08 -1.26 -5.08 116.67 111.44 3fg0 s ASP 446 Ca 0.35 -0.62 -0.13 0.00 -0.52 0.00 0.00 52.55 51.62 3fg0 s ASP 446 Cb -0.17 0.69 0.06 0.00 -1.46 0.00 0.00 42.92 42.04 3fg0 s ASP 446 CO 0.81 -1.29 0.49 0.12 0.52 0.00 0.00 175.17 175.81 3fg0 s PHE 447 N -3.62 -0.67 0.00 -5.34 5.36 -1.26 -4.72 117.98 107.74 3fg0 s PHE 447 Ca 0.12 1.45 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 3fg0 s PHE 447 Cb -0.05 0.31 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 3fg0 s PHE 447 CO 0.07 -0.35 0.00 0.72 -1.46 0.00 0.00 175.22 174.20 3fg0 n HIS 448 N 3.81 0.00 -1.92 10.12 8.25 -1.26 -4.94 115.22 129.28 3fg0 n HIS 448 Ca -0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.85 3fg0 n HIS 448 Cb 0.56 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.64 3fg0 n HIS 448 CO 0.00 0.00 0.00 -2.14 0.64 0.00 0.00 176.34 174.84 3fg0 s PRO 449 N -0.77 4.21 0.02 -0.41 0.02 -1.26 -4.99 135.00 131.82 3fg0 s PRO 449 Ca 0.00 2.38 -0.04 0.00 0.02 0.00 0.00 61.00 63.36 3fg0 s PRO 449 Cb 0.00 -3.13 -0.01 0.00 0.02 0.00 0.00 34.50 31.38 3fg0 s PRO 449 CO 0.00 -0.59 0.07 1.52 -0.33 0.00 0.00 177.00 177.67 3fg0 s TYR 450 N 0.91 0.16 -0.02 6.54 -0.85 -1.26 -5.06 117.35 117.77 3fg0 s TYR 450 Ca 0.68 -0.37 -0.29 0.00 -0.52 0.00 0.00 57.07 56.58 3fg0 s TYR 450 Cb -0.44 -0.12 0.09 0.00 0.38 0.00 0.00 41.96 41.87 3fg0 s TYR 450 CO 0.34 -0.28 0.81 -0.59 -1.52 0.00 0.00 175.55 174.31 3fg0 s PHE 451 N -1.77 -0.46 0.54 -3.49 -0.12 -1.26 -5.05 117.98 106.38 3fg0 s PHE 451 Ca -0.12 0.55 0.29 0.00 -0.05 0.00 0.00 56.93 57.60 3fg0 s PHE 451 Cb -0.06 0.49 1.46 0.00 -0.63 0.00 0.00 43.02 44.27 3fg0 s PHE 451 CO -0.01 -0.57 1.92 0.00 -0.05 0.00 0.00 175.22 176.52 3fg0 h ALA 452 N 2.37 2.63 0.00 1.99 0.00 -1.93 -2.04 119.26 122.28 3fg0 h ALA 452 Ca -0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fg0 h ALA 452 Cb 1.21 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3fg0 h ALA 452 CO 0.34 -0.90 -0.02 1.96 0.00 0.00 0.00 179.25 180.63 3fg0 h GLN 453 N 0.00 0.00 -5.99 0.00 7.50 -1.95 0.40 115.11 115.08 3fg0 h GLN 453 Ca 0.34 0.00 -0.59 0.00 0.50 0.00 0.00 58.65 58.90 3fg0 h GLN 453 Cb 1.41 0.00 -0.29 0.00 0.05 0.00 0.00 27.48 28.65 3fg0 h GLN 453 CO -0.00 0.02 -0.85 0.00 -1.50 0.00 0.00 178.83 176.50 3fg0 s ALA 454 N -3.70 1.69 0.41 3.87 0.00 -0.77 -4.49 121.76 118.78 3fg0 s ALA 454 Ca 0.01 -0.91 -0.25 0.00 0.00 0.00 0.00 51.96 50.81 3fg0 s ALA 454 Cb 0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 23.12 22.73 3fg0 s ALA 454 CO 0.54 0.41 1.17 -1.25 0.00 0.00 0.00 175.76 176.63 3fg0 s PRO 455 N -0.65 3.99 -0.06 0.00 0.04 -1.25 -4.00 135.00 133.07 3fg0 s PRO 455 Ca 0.08 1.82 0.03 0.00 0.04 0.00 0.00 61.00 62.97 3fg0 s PRO 455 Cb -0.08 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.85 3fg0 s PRO 455 CO -0.00 -0.37 -0.16 -0.46 0.04 0.00 0.00 177.00 176.05 3fg0 s TRP 456 N -1.45 1.70 0.00 0.56 -0.11 0.79 -4.91 118.94 115.53 3fg0 s TRP 456 Ca 0.59 -0.58 0.00 0.00 1.22 0.00 0.00 56.10 57.32 3fg0 s TRP 456 Cb -0.30 -1.18 0.00 0.00 -1.50 0.00 0.00 33.47 30.48 3fg0 s TRP 456 CO 0.38 -0.25 0.00 0.41 -4.62 0.00 0.00 176.95 172.87 3fg0 n GLY 457 N 3.48 -0.35 3.61 5.86 0.00 -1.26 -0.97 105.19 115.55 3fg0 n GLY 457 Ca -0.20 -1.14 -0.27 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 1.74 0.65 -0.02 0.00 -1.26 -3.69 107.32 104.74 3fg0 s GLY 458 Ca 0.00 -1.40 -0.10 0.00 0.00 0.00 0.00 44.72 43.23 3fg0 s GLY 458 CO 0.00 -1.41 1.02 -0.19 0.00 0.00 0.00 173.10 172.52 3fg0 s TYR 459 N -1.63 3.35 0.00 1.90 4.12 0.27 -4.07 117.35 121.28 3fg0 s TYR 459 Ca 0.25 0.95 0.00 0.00 0.02 0.00 0.00 57.07 58.29 3fg0 s TYR 459 Cb -0.09 -2.90 0.00 0.00 -1.52 0.00 0.00 41.96 37.45 3fg0 s TYR 459 CO 0.16 -0.98 0.00 1.63 0.02 0.00 0.00 175.55 176.38 3fg0 n LYS 460 N -2.82 0.00 -0.00 -0.62 5.02 -1.26 -1.95 118.16 116.52 3fg0 n LYS 460 Ca 0.06 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.48 3fg0 n LYS 460 Cb 0.57 0.00 0.78 0.00 -0.02 0.00 0.00 35.03 36.36 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 1.06 0.05 1.97 6.02 -0.24 -3.30 117.38 136.94 3fg0 n GLN 461 Ca 0.00 -0.08 0.11 0.00 -0.01 0.00 0.00 57.00 57.02 3fg0 n GLN 461 Cb 0.00 -1.43 0.44 0.00 1.02 0.00 0.00 30.24 30.28 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 -0.83 0.30 0.00 1.08 7.64 -0.82 -4.65 113.62 116.34 3fg0 n SER 462 Ca 0.20 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3fg0 n SER 462 Cb 0.11 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 0.56 -1.95 2.85 0.23 0.00 -1.21 -0.25 105.19 105.42 3fg0 n GLY 463 Ca 0.04 -1.28 -0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 -2.60 0.29 0.00 -0.61 1.01 -0.28 -4.64 121.20 114.37 3fg0 s ILE 464 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.66 3fg0 s ILE 464 Cb 0.00 -0.36 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3fg0 s ILE 464 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3fg0 n GLY 465 N 4.07 -2.12 3.10 6.18 0.00 -1.26 -0.84 105.19 114.32 3fg0 n GLY 465 Ca -0.26 -1.53 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.15 0.64 0.18 1.61 1.81 -1.26 -4.36 118.95 117.42 3fg0 s ARG 466 Ca 0.00 -0.95 0.10 0.00 -1.72 0.00 0.00 55.73 53.16 3fg0 s ARG 466 Cb 0.00 -0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.17 3fg0 s ARG 466 CO 0.00 0.04 -0.14 -1.21 -0.68 0.00 0.00 175.30 173.30 3fg0 s GLU 467 N -2.29 1.89 0.22 3.54 2.02 -0.14 -4.15 118.70 119.79 3fg0 s GLU 467 Ca -0.03 -1.34 0.00 0.00 0.02 0.00 0.00 54.97 53.63 3fg0 s GLU 467 Cb -0.05 -2.07 0.00 0.00 0.10 0.00 0.00 34.13 32.11 3fg0 s GLU 467 CO -0.01 0.43 0.00 1.28 0.02 0.00 0.00 175.26 176.98 3fg0 n LEU 468 N 0.14 -0.38 0.00 1.80 4.77 -1.26 -0.15 117.00 121.93 3fg0 n LEU 468 Ca -0.11 0.88 0.05 0.00 -0.03 0.00 0.00 56.01 56.80 3fg0 n LEU 468 Cb 0.55 -1.22 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 3fg0 n LEU 468 CO 0.33 -0.84 -0.07 0.61 -1.33 0.00 0.00 177.39 176.09 3fg0 n GLY 469 N -2.91 -1.64 0.27 -0.72 0.00 0.14 -0.75 105.19 99.57 3fg0 n GLY 469 Ca -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 46.02 44.79 3fg0 n GLY 469 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fg0 h LYS 470 N 0.00 0.42 -0.28 1.61 1.57 -1.85 -2.28 116.57 115.77 3fg0 h LYS 470 Ca 0.01 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3fg0 h LYS 470 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3fg0 h LYS 470 CO 0.00 0.43 -0.16 0.93 -0.57 0.00 0.00 179.45 180.09 3fg0 h GLU 471 N 0.41 0.50 -0.65 3.15 5.08 -1.95 -1.85 114.58 119.27 3fg0 h GLU 471 Ca 0.10 -0.15 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3fg0 h GLU 471 Cb 0.24 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 3fg0 h GLU 471 CO 0.00 0.64 0.30 0.78 -1.00 0.00 0.00 179.01 179.74 3fg0 h GLY 472 N 0.95 1.01 1.02 -3.84 0.00 -0.37 -2.50 103.07 99.35 3fg0 h GLY 472 Ca 0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.88 3fg0 h GLY 472 CO 0.03 0.49 0.44 -2.00 0.00 0.00 0.00 176.54 175.50 3fg0 h LEU 473 N 0.90 1.05 -2.34 3.11 5.85 -1.12 -2.91 115.31 119.85 3fg0 h LEU 473 Ca 0.22 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 3fg0 h LEU 473 Cb 0.13 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 3fg0 h LEU 473 CO -0.03 0.85 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.57 3fg0 h GLU 474 N 1.16 0.00 0.00 1.25 5.08 -0.89 -0.48 114.58 120.69 3fg0 h GLU 474 Ca 0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.63 3fg0 h GLU 474 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 3fg0 h GLU 474 CO -0.04 0.03 -0.11 0.93 -1.00 0.00 0.00 179.01 178.81 3fg0 h GLU 475 N 0.00 0.00 -0.64 2.33 4.39 -1.35 -2.61 114.58 116.70 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 0.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.85 3fg0 h GLU 475 CO 0.00 0.11 0.00 0.66 -1.16 0.00 0.00 179.01 178.63 3fg0 n TYR 476 N -4.18 1.06 -4.37 4.33 4.01 -0.19 -4.88 117.16 112.93 3fg0 n TYR 476 Ca -0.03 -0.47 -0.24 0.00 -0.16 0.00 0.00 57.90 57.01 3fg0 n TYR 476 Cb 0.19 -0.10 -0.11 0.00 -0.31 0.00 0.00 39.34 39.01 3fg0 n TYR 476 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3fg0 s LEU 477 N -1.29 2.44 -0.01 7.72 1.43 -0.98 -1.09 118.68 126.91 3fg0 s LEU 477 Ca 0.44 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.69 3fg0 s LEU 477 Cb 0.25 -0.95 -0.01 0.00 0.03 0.00 0.00 46.19 45.51 3fg0 s LEU 477 CO 0.26 0.02 -0.08 0.54 0.23 0.00 0.00 176.35 177.32 3fg0 s VAL 478 N -1.94 0.62 0.03 -1.59 0.11 0.78 -4.59 120.40 113.82 3fg0 s VAL 478 Ca 0.18 -0.33 -0.19 0.00 -2.93 0.00 0.00 61.98 58.70 3fg0 s VAL 478 Cb -0.06 -0.52 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 3fg0 s VAL 478 CO 0.08 0.18 0.56 -0.44 -3.33 0.00 0.00 175.10 172.15 3fg0 s SER 479 N -0.17 6.99 -0.08 3.54 0.01 -1.26 -1.07 113.70 121.66 3fg0 s SER 479 Ca 0.03 1.17 0.01 0.00 1.31 0.00 0.00 55.95 58.47 3fg0 s SER 479 Cb -0.03 -2.35 0.02 0.00 0.21 0.00 0.00 66.02 63.87 3fg0 s SER 479 CO -0.00 0.20 -0.10 -0.75 0.41 0.00 0.00 173.24 172.99 3fg0 s LYS 480 N -0.65 1.59 -0.35 12.44 2.20 -0.70 -4.98 119.74 129.29 3fg0 s LYS 480 Ca 0.29 -0.34 -0.17 0.00 -0.36 0.00 0.00 55.97 55.39 3fg0 s LYS 480 Cb -0.18 -1.43 -0.01 0.00 -1.51 0.00 0.00 37.83 34.70 3fg0 s LYS 480 CO 0.17 -0.08 0.44 -1.58 -0.36 0.00 0.00 175.35 173.95 3fg0 s HIS 481 N 1.04 3.19 -0.29 4.03 5.65 -1.26 -0.39 115.29 127.26 3fg0 s HIS 481 Ca -0.08 0.06 -0.08 0.00 0.25 0.00 0.00 55.06 55.21 3fg0 s HIS 481 Cb -0.15 -2.81 -0.01 0.00 -1.18 0.00 0.00 32.58 28.43 3fg0 s HIS 481 CO -0.01 -0.50 0.10 0.42 -0.65 0.00 0.00 174.74 174.10 3fg0 s ILE 482 N 2.22 4.26 -0.18 0.89 1.01 0.19 -4.99 121.20 124.61 3fg0 s ILE 482 Ca 0.15 -0.46 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 3fg0 s ILE 482 Cb -0.16 -3.13 -0.00 0.00 0.01 0.00 0.00 42.46 39.17 3fg0 s ILE 482 CO 0.13 0.15 -0.11 -0.22 0.00 0.00 0.00 174.94 174.88 3fg0 s LEU 483 N 1.57 2.62 -0.20 2.97 0.20 -1.26 -1.86 118.68 122.73 3fg0 s LEU 483 Ca 0.04 -0.44 -0.05 0.00 0.69 0.00 0.00 54.13 54.37 3fg0 s LEU 483 Cb -0.17 -1.63 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 3fg0 s LEU 483 CO 0.04 0.04 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.24 3fg0 s THR 484 N 1.08 3.84 -0.44 3.68 2.01 -0.14 -4.97 115.64 120.70 3fg0 s THR 484 Ca 0.00 -0.35 -0.22 0.00 0.31 0.00 0.00 61.69 61.43 3fg0 s THR 484 Cb -0.15 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.66 3fg0 s THR 484 CO -0.03 0.43 0.73 0.21 -0.69 0.00 0.00 174.62 175.28 3fg0 s ASN 485 N 1.01 6.39 0.00 3.53 3.84 -1.26 -0.78 114.94 127.67 3fg0 s ASN 485 Ca 0.01 -0.14 0.29 0.00 0.21 0.00 0.00 52.86 53.23 3fg0 s ASN 485 Cb -0.14 -2.36 1.18 0.00 -0.55 0.00 0.00 41.25 39.37 3fg0 s ASN 485 CO 0.01 -0.85 1.82 0.35 -2.79 0.00 0.00 177.10 175.64 3fg0 n THR 486 N 6.01 0.00 -3.18 -5.21 -2.24 -0.60 -4.13 114.28 104.93 3fg0 n THR 486 Ca 0.01 -0.15 -0.20 0.00 -2.27 0.00 0.00 64.05 61.43 3fg0 n THR 486 Cb 0.48 0.21 -0.04 0.00 -2.10 0.00 0.00 70.33 68.88 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 -0.36 0.47 -4.73 3.42 5.15 -1.23 -5.03 115.26 112.95 3fg0 n ASN 487 Ca 0.18 -2.90 -0.42 0.00 -0.60 0.00 0.00 54.58 50.85 3fg0 n ASN 487 Cb 0.30 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 38.96 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 -1.85 4.29 0.03 1.20 0.04 -1.26 -5.01 135.00 132.45 3fg0 s PRO 488 Ca 0.38 2.22 0.03 0.00 0.04 0.00 0.00 61.00 63.66 3fg0 s PRO 488 Cb 0.28 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.63 3fg0 s PRO 488 CO -0.09 -0.42 -0.09 -0.65 0.04 0.00 0.00 177.00 175.78 3fg0 s GLN 489 N 0.23 0.64 0.28 4.56 -1.52 -1.26 -5.12 119.66 117.46 3fg0 s GLN 489 Ca 0.62 -0.64 -0.30 0.00 -1.95 0.00 0.00 55.36 53.08 3fg0 s GLN 489 Cb -0.40 -0.54 -0.12 0.00 -0.22 0.00 0.00 33.01 31.73 3fg0 s GLN 489 CO 0.38 0.13 1.62 1.28 -0.25 0.00 0.00 175.29 178.45 3fg0 n LEU 490 N 1.92 4.32 0.07 2.90 4.32 -1.26 -4.90 117.00 124.36 3fg0 n LEU 490 Ca -0.19 1.13 -0.12 0.00 -0.02 0.00 0.00 56.01 56.81 3fg0 n LEU 490 Cb 0.55 -1.59 -0.03 0.00 -1.62 0.00 0.00 43.42 40.73 3fg0 n LEU 490 CO 0.22 0.17 0.22 0.58 -1.22 0.00 0.00 177.39 177.37 3fg0 h VAL 491 N 3.44 1.42 -6.21 4.08 2.07 -2.01 -3.48 116.25 115.56 3fg0 h VAL 491 Ca -0.46 -2.44 -0.46 0.00 0.82 0.00 0.00 66.70 64.15 3fg0 h VAL 491 Cb 1.22 2.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 3fg0 h VAL 491 CO 0.82 0.73 -0.74 0.59 0.02 0.00 0.00 177.57 178.99 3fg0 n ASN 492 N -3.74 -5.11 -0.03 0.57 3.02 -1.26 -4.91 115.26 103.80 3fg0 n ASN 492 Ca -0.06 -0.73 -0.15 0.00 -0.03 0.00 0.00 54.58 53.61 3fg0 n ASN 492 Cb 0.81 -4.07 -0.10 0.00 -0.61 0.00 0.00 39.78 35.82 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 -2.17 0.38 -3.26 3.10 2.91 -2.03 -3.46 115.95 111.42 3fg0 h TRP 493 Ca -0.58 -0.17 -0.57 0.00 1.13 0.00 0.00 58.89 58.71 3fg0 h TRP 493 Cb 1.37 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.93 3fg0 h TRP 493 CO 0.56 0.90 -0.10 -0.06 -1.03 0.00 0.00 178.44 178.71 3fg0 s PHE 494 N -3.59 3.66 0.63 2.65 0.08 -1.26 -5.04 117.98 115.11 3fg0 s PHE 494 Ca -0.15 1.07 -0.18 0.00 0.12 0.00 0.00 56.93 57.79 3fg0 s PHE 494 Cb 0.03 -2.37 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 3fg0 s PHE 494 CO 0.76 0.49 1.24 0.43 -0.10 0.00 0.00 175.22 178.04 3fg0 n SER 495 N 1.09 1.89 0.00 1.36 7.64 -1.26 -5.16 113.62 119.18 3fg0 n SER 495 Ca -0.07 0.84 0.00 0.00 1.01 0.00 0.00 58.87 60.64 3fg0 n SER 495 Cb 0.52 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.19 3fg0 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32