#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fg0 h ALA 0 N 0.00 -0.77 -0.94 5.41 0.00 -2.03 -1.88 119.26 119.06 3fg0 h ALA 0 Ca 0.00 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.17 3fg0 h ALA 0 Cb 0.00 1.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3fg0 h ALA 0 CO 0.00 -1.01 0.70 0.52 0.00 0.00 0.00 179.25 179.46 3fg0 h MET 1 N -0.39 0.00 -0.20 0.00 2.86 -2.02 0.16 114.93 115.35 3fg0 h MET 1 Ca 0.06 0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.76 3fg0 h MET 1 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 3fg0 h MET 1 CO -0.54 0.00 0.16 0.93 1.06 0.00 0.00 176.91 178.52 3fg0 h GLU 2 N 0.00 0.00 -0.59 1.72 4.39 -1.80 0.16 114.58 118.46 3fg0 h GLU 2 Ca 0.45 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.27 3fg0 h GLU 2 Cb 1.84 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.46 3fg0 h GLU 2 CO -0.00 0.00 0.40 -0.07 -1.16 0.00 0.00 179.01 178.18 3fg0 h LEU 3 N 0.00 0.26 -0.04 1.33 4.07 -0.79 -2.80 115.31 117.34 3fg0 h LEU 3 Ca 0.10 0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3fg0 h LEU 3 Cb 0.42 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.12 3fg0 h LEU 3 CO -0.00 0.15 -0.41 0.18 -1.08 0.00 0.00 178.44 177.27 3fg0 n LEU 4 N -4.45 0.47 -0.26 1.67 4.77 0.55 -4.54 117.00 115.22 3fg0 n LEU 4 Ca 0.10 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 3fg0 n LEU 4 Cb 0.46 -0.27 0.10 0.00 -2.33 0.00 0.00 43.42 41.38 3fg0 n LEU 4 CO 0.34 0.11 0.73 0.50 -1.33 0.00 0.00 177.39 177.75 3fg0 h LYS 5 N 0.09 0.01 -0.21 3.23 3.64 -1.53 -1.91 116.57 119.90 3fg0 h LYS 5 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3fg0 h LYS 5 Cb 0.50 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3fg0 h LYS 5 CO 0.00 0.01 0.00 0.72 -2.27 0.00 0.00 179.45 177.91 3fg0 n HIS 6 N -5.47 0.55 -2.46 1.91 8.25 -1.26 -5.00 115.22 111.74 3fg0 n HIS 6 Ca 0.11 -0.75 -0.42 0.00 -0.26 0.00 0.00 57.72 56.40 3fg0 n HIS 6 Cb 0.40 -0.18 -0.03 0.00 1.12 0.00 0.00 29.99 31.30 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 -2.13 4.40 0.56 2.41 2.96 -0.72 -5.00 118.68 121.17 3fg0 s LEU 7 Ca 0.30 2.03 -0.21 0.00 -0.22 0.00 0.00 54.13 56.04 3fg0 s LEU 7 Cb 0.23 -3.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3fg0 s LEU 7 CO 0.09 -0.39 1.34 -0.55 -1.32 0.00 0.00 176.35 175.52 3fg0 s SER 8 N 0.70 5.18 0.00 3.68 0.15 -1.26 -4.94 113.70 117.20 3fg0 s SER 8 Ca 0.56 2.72 0.10 0.00 0.70 0.00 0.00 55.95 60.03 3fg0 s SER 8 Cb -0.29 -2.63 0.29 0.00 -1.71 0.00 0.00 66.02 61.67 3fg0 s SER 8 CO 0.31 -1.63 1.23 0.00 1.20 0.00 0.00 173.24 174.35 3fg0 n GLN 9 N -1.17 2.80 -3.83 5.44 6.02 -1.26 -4.98 117.38 120.40 3fg0 n GLN 9 Ca 0.11 -2.00 -0.22 0.00 -0.01 0.00 0.00 57.00 54.89 3fg0 n GLN 9 Cb 0.46 -1.26 -0.04 0.00 1.02 0.00 0.00 30.24 30.42 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 -1.00 2.52 0.78 -1.09 0.52 -1.26 -0.74 118.95 118.68 3fg0 s ARG 10 Ca 0.22 -1.50 -0.12 0.00 -0.52 0.00 0.00 55.73 53.81 3fg0 s ARG 10 Cb 0.11 -2.31 0.06 0.00 0.52 0.00 0.00 34.95 33.33 3fg0 s ARG 10 CO 0.15 -0.03 1.10 -0.65 0.02 0.00 0.00 175.30 175.90 3fg0 s GLN 11 N -4.00 2.25 -0.28 3.54 -0.21 -0.33 -4.83 119.66 115.81 3fg0 s GLN 11 Ca 0.43 0.53 0.01 0.00 0.02 0.00 0.00 55.36 56.34 3fg0 s GLN 11 Cb -0.03 -1.95 0.08 0.00 1.00 0.00 0.00 33.01 32.12 3fg0 s GLN 11 CO 0.26 -1.48 0.03 -0.47 -2.12 0.00 0.00 175.29 171.50 3fg0 s TYR 12 N -3.25 2.31 -0.09 0.91 5.04 -0.39 -0.89 117.35 120.99 3fg0 s TYR 12 Ca 0.60 -1.92 0.01 0.00 -2.44 0.00 0.00 57.07 53.33 3fg0 s TYR 12 Cb -0.13 -1.84 0.02 0.00 0.35 0.00 0.00 41.96 40.36 3fg0 s TYR 12 CO 0.53 -0.83 -0.10 0.42 -1.34 0.00 0.00 175.55 174.23 3fg0 s ILE 13 N 1.41 1.10 -1.38 3.14 1.01 0.30 -0.46 121.20 126.32 3fg0 s ILE 13 Ca 0.03 -0.40 -0.01 0.00 0.00 0.00 0.00 60.65 60.27 3fg0 s ILE 13 Cb -0.18 -1.06 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3fg0 s ILE 13 CO -0.13 0.36 0.56 -0.67 0.00 0.00 0.00 174.94 175.06 3fg0 n ASP 14 N 4.33 -0.89 0.00 3.58 2.03 -1.26 -2.05 116.55 122.28 3fg0 n ASP 14 Ca -0.18 -0.93 0.00 0.00 0.52 0.00 0.00 54.79 54.20 3fg0 n ASP 14 Cb 0.51 -3.45 0.00 0.00 -0.72 0.00 0.00 41.12 37.45 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 -1.80 0.78 3.12 0.27 0.00 -1.26 -4.65 105.19 101.65 3fg0 n GLY 15 Ca -0.28 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.60 3fg0 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg0 s GLU 16 N -0.18 0.70 -0.22 1.61 2.02 -0.87 -5.08 118.70 116.69 3fg0 s GLU 16 Ca 0.00 -0.96 -0.21 0.00 0.02 0.00 0.00 54.97 53.81 3fg0 s GLU 16 Cb 0.00 -0.45 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 3fg0 s GLU 16 CO 0.00 0.08 0.66 -1.58 0.02 0.00 0.00 175.26 174.43 3fg0 s TRP 17 N -1.89 3.34 0.03 1.61 0.52 -1.26 -0.54 118.94 120.75 3fg0 s TRP 17 Ca -0.02 0.93 0.01 0.00 0.02 0.00 0.00 56.10 57.04 3fg0 s TRP 17 Cb -0.06 -2.85 -0.02 0.00 -1.15 0.00 0.00 33.47 29.39 3fg0 s TRP 17 CO 0.00 -0.25 -0.06 0.14 0.02 0.00 0.00 176.95 176.80 3fg0 s VAL 18 N 2.21 0.39 1.05 4.03 -7.23 -0.07 -4.95 120.40 115.83 3fg0 s VAL 18 Ca 0.29 -1.00 -0.14 0.00 -1.81 0.00 0.00 61.98 59.32 3fg0 s VAL 18 Cb -0.16 -0.48 0.22 0.00 0.56 0.00 0.00 36.38 36.52 3fg0 s VAL 18 CO 0.10 -0.41 1.11 -1.61 -0.31 0.00 0.00 175.10 173.98 3fg0 s GLU 19 N -1.49 -0.02 0.55 4.82 2.02 -1.26 -1.18 118.70 122.14 3fg0 s GLU 19 Ca -0.12 0.28 -0.20 0.00 0.02 0.00 0.00 54.97 54.95 3fg0 s GLU 19 Cb -0.10 -1.71 -0.05 0.00 0.10 0.00 0.00 34.13 32.38 3fg0 s GLU 19 CO -0.00 -2.98 1.21 0.45 0.02 0.00 0.00 175.26 173.96 3fg0 s SER 20 N -3.69 5.49 0.54 -0.19 0.15 -1.26 -4.81 113.70 109.93 3fg0 s SER 20 Ca 0.67 2.39 0.22 0.00 0.70 0.00 0.00 55.95 59.94 3fg0 s SER 20 Cb -0.15 -2.60 1.41 0.00 -1.71 0.00 0.00 66.02 62.96 3fg0 s SER 20 CO 0.57 -1.39 2.09 0.00 1.20 0.00 0.00 173.24 175.70 3fg0 h ALA 21 N 1.27 2.14 -0.58 5.45 0.00 -1.94 -1.64 119.26 123.95 3fg0 h ALA 21 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3fg0 h ALA 21 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3fg0 h ALA 21 CO 0.57 -0.30 0.00 0.27 0.00 0.00 0.00 179.25 179.79 3fg0 n ASN 22 N -4.32 3.80 -0.07 0.00 6.94 -1.26 -4.95 115.26 115.39 3fg0 n ASN 22 Ca 0.03 -2.13 -0.01 0.00 -0.02 0.00 0.00 54.58 52.45 3fg0 n ASN 22 Cb 0.33 -0.43 -0.00 0.00 -2.36 0.00 0.00 39.78 37.31 3fg0 n ASN 22 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3fg0 n LYS 23 N 1.11 -1.58 -1.68 -3.83 4.76 -0.62 -4.97 118.16 111.36 3fg0 n LYS 23 Ca 0.21 0.44 -0.32 0.00 -2.87 0.00 0.00 58.31 55.76 3fg0 n LYS 23 Cb 0.63 -4.64 0.05 0.00 -1.84 0.00 0.00 35.03 29.22 3fg0 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3fg0 s ASN 24 N -2.04 5.13 0.13 4.39 2.47 -1.26 -4.91 114.94 118.84 3fg0 s ASN 24 Ca 0.00 1.88 -0.01 0.00 0.42 0.00 0.00 52.86 55.15 3fg0 s ASN 24 Cb 0.00 -2.53 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 3fg0 s ASN 24 CO 0.00 -1.61 0.06 0.42 -3.72 0.00 0.00 177.10 172.25 3fg0 s THR 25 N -2.57 0.10 -0.01 -5.21 -4.23 -1.26 -1.18 115.64 101.28 3fg0 s THR 25 Ca 0.64 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.28 3fg0 s THR 25 Cb -0.18 -2.03 -0.00 0.00 1.34 0.00 0.00 72.50 71.62 3fg0 s THR 25 CO 0.45 -0.46 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.39 3fg0 s ARG 26 N -4.04 0.73 -0.07 3.99 3.52 0.74 -4.72 118.95 119.10 3fg0 s ARG 26 Ca 0.24 -0.28 -0.24 0.00 -0.13 0.00 0.00 55.73 55.33 3fg0 s ARG 26 Cb 0.07 -0.70 -0.04 0.00 -1.56 0.00 0.00 34.95 32.73 3fg0 s ARG 26 CO 0.02 0.14 0.71 -0.51 -0.81 0.00 0.00 175.30 174.84 3fg0 s ASP 27 N -0.02 6.99 -0.09 -2.12 1.01 -1.26 -1.00 116.67 120.17 3fg0 s ASP 27 Ca 0.01 1.19 -0.09 0.00 0.71 0.00 0.00 52.55 54.37 3fg0 s ASP 27 Cb -0.05 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 3fg0 s ASP 27 CO -0.00 -0.13 0.20 -0.63 0.21 0.00 0.00 175.17 174.82 3fg0 s ILE 28 N 0.87 5.41 0.23 0.77 -1.09 0.12 -5.00 121.20 122.50 3fg0 s ILE 28 Ca 0.38 0.34 0.11 0.00 -2.23 0.00 0.00 60.65 59.25 3fg0 s ILE 28 Cb -0.18 -3.47 -0.05 0.00 -1.58 0.00 0.00 42.46 37.19 3fg0 s ILE 28 CO 0.18 0.61 -0.21 0.27 -1.23 0.00 0.00 174.94 174.56 3fg0 s ILE 29 N -1.04 2.49 -0.28 2.92 -4.36 -1.26 -0.41 121.20 119.25 3fg0 s ILE 29 Ca 0.17 -2.15 -0.17 0.00 -0.26 0.00 0.00 60.65 58.24 3fg0 s ILE 29 Cb -0.13 -2.25 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 3fg0 s ILE 29 CO 0.06 -0.23 0.46 0.21 0.24 0.00 0.00 174.94 175.68 3fg0 s ASN 30 N -3.04 6.34 0.44 4.36 3.84 -0.71 -4.77 114.94 121.40 3fg0 s ASN 30 Ca 0.25 0.32 0.30 0.00 0.21 0.00 0.00 52.86 53.94 3fg0 s ASN 30 Cb -0.07 -2.25 1.32 0.00 -0.55 0.00 0.00 41.25 39.70 3fg0 s ASN 30 CO 0.12 -0.29 1.90 1.55 -2.79 0.00 0.00 177.10 177.59 3fg0 h PRO 31 N 8.17 0.00 -0.59 0.43 0.13 -1.81 0.22 132.00 138.55 3fg0 h PRO 31 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.78 3fg0 h PRO 31 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 3fg0 h PRO 31 CO 0.70 0.00 0.13 -0.92 -0.23 0.00 0.00 178.00 177.68 3fg0 h TYR 32 N 0.00 0.95 0.00 1.56 3.20 -1.90 -1.60 116.97 119.18 3fg0 h TYR 32 Ca 0.00 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.77 3fg0 h TYR 32 Cb 0.37 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3fg0 h TYR 32 CO 0.00 0.80 0.00 0.27 -1.64 0.00 0.00 178.16 177.59 3fg0 n ASN 33 N -4.26 0.63 -1.80 -2.11 0.23 -1.12 -3.04 115.26 103.80 3fg0 n ASN 33 Ca 0.04 -1.08 -0.19 0.00 -0.53 0.00 0.00 54.58 52.83 3fg0 n ASN 33 Cb 0.24 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.88 3fg0 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3fg0 n GLN 34 N -0.04 -1.53 -3.13 -3.83 6.02 0.76 -4.77 117.38 110.85 3fg0 n GLN 34 Ca 0.00 1.04 -0.36 0.00 -0.01 0.00 0.00 57.00 57.66 3fg0 n GLN 34 Cb 0.15 -5.47 -0.06 0.00 1.02 0.00 0.00 30.24 25.88 3fg0 n GLN 34 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3fg0 s GLU 35 N -4.01 4.23 0.00 -1.09 2.02 -1.23 -4.81 118.70 113.81 3fg0 s GLU 35 Ca 0.00 0.83 -0.30 0.00 0.02 0.00 0.00 54.97 55.52 3fg0 s GLU 35 Cb 0.00 -2.91 -0.06 0.00 0.10 0.00 0.00 34.13 31.26 3fg0 s GLU 35 CO 0.00 0.42 1.42 0.08 0.02 0.00 0.00 175.26 177.20 3fg0 s VAL 36 N -1.49 3.68 -0.18 2.63 1.01 -1.26 -1.74 120.40 123.05 3fg0 s VAL 36 Ca 0.42 1.06 0.10 0.00 0.00 0.00 0.00 61.98 63.56 3fg0 s VAL 36 Cb -0.17 -3.68 -0.14 0.00 0.00 0.00 0.00 36.38 32.39 3fg0 s VAL 36 CO 0.21 -0.00 0.30 2.30 0.00 0.00 0.00 175.10 177.90 3fg0 n ILE 37 N 4.69 0.00 -3.52 2.22 -5.35 0.45 -4.95 119.36 112.89 3fg0 n ILE 37 Ca 0.13 -0.25 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 3fg0 n ILE 37 Cb 0.43 0.55 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.41 -0.38 -0.08 4.28 5.36 -1.19 -5.02 117.98 118.55 3fg0 s PHE 38 Ca -0.01 0.37 -0.00 0.00 -0.96 0.00 0.00 56.93 56.33 3fg0 s PHE 38 Cb 0.07 0.51 0.03 0.00 -0.34 0.00 0.00 43.02 43.28 3fg0 s PHE 38 CO 0.41 -0.51 -0.04 0.99 -1.46 0.00 0.00 175.22 174.62 3fg0 s THR 39 N -2.53 0.64 0.28 0.12 2.01 -1.26 0.14 115.64 115.04 3fg0 s THR 39 Ca 0.02 -0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.05 3fg0 s THR 39 Cb -0.01 -0.72 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 3fg0 s THR 39 CO -0.05 0.29 -0.15 0.68 -0.69 0.00 0.00 174.62 174.70 3fg0 s VAL 40 N 1.64 2.22 0.46 3.82 -7.23 -0.17 -4.82 120.40 116.33 3fg0 s VAL 40 Ca 0.01 -2.30 -0.24 0.00 -1.81 0.00 0.00 61.98 57.64 3fg0 s VAL 40 Cb -0.13 -2.36 -0.08 0.00 0.56 0.00 0.00 36.38 34.37 3fg0 s VAL 40 CO -0.05 -0.37 1.34 -1.20 -0.31 0.00 0.00 175.10 174.51 3fg0 n SER 41 N -0.62 2.80 -4.01 4.85 7.64 0.08 -0.18 113.62 124.17 3fg0 n SER 41 Ca -0.05 1.08 -0.32 0.00 1.01 0.00 0.00 58.87 60.58 3fg0 n SER 41 Cb 0.61 -1.55 -0.14 0.00 -1.01 0.00 0.00 64.21 62.13 3fg0 n SER 41 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 3fg0 s GLU 42 N -2.45 1.88 0.88 1.43 2.56 -0.33 -4.54 118.70 118.15 3fg0 s GLU 42 Ca 0.64 -2.27 -0.11 0.00 0.00 0.00 0.00 54.97 53.23 3fg0 s GLU 42 Cb -0.46 -3.36 0.12 0.00 2.00 0.00 0.00 34.13 32.43 3fg0 s GLU 42 CO 0.56 -1.05 1.11 0.20 -0.56 0.00 0.00 175.26 175.51 3fg0 s GLY 43 N 0.47 1.66 0.34 -1.50 0.00 0.92 -4.37 107.32 104.85 3fg0 s GLY 43 Ca 0.14 0.33 0.08 0.00 0.00 0.00 0.00 44.72 45.27 3fg0 s GLY 43 CO -0.04 0.76 0.29 -0.51 0.00 0.00 0.00 173.10 173.60 3fg0 s THR 44 N -2.76 3.41 0.46 0.90 -4.23 -1.26 -4.81 115.64 107.35 3fg0 s THR 44 Ca 0.64 -1.40 0.13 0.00 -1.18 0.00 0.00 61.69 59.89 3fg0 s THR 44 Cb -0.20 -3.15 0.29 0.00 1.34 0.00 0.00 72.50 70.78 3fg0 s THR 44 CO 0.58 -0.16 2.07 0.07 -0.54 0.00 0.00 174.62 176.64 3fg0 h LYS 45 N 1.25 0.28 -0.31 3.99 2.10 -1.94 -1.41 116.57 120.52 3fg0 h LYS 45 Ca -0.44 -0.02 -0.08 0.00 -2.00 0.00 0.00 60.65 58.11 3fg0 h LYS 45 Cb 1.25 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 32.51 3fg0 h LYS 45 CO 0.59 0.18 -0.14 0.93 -2.00 0.00 0.00 179.45 179.02 3fg0 h GLU 46 N 0.29 0.54 -0.33 0.07 3.07 -1.95 -1.24 114.58 115.03 3fg0 h GLU 46 Ca 0.13 -0.17 -0.03 0.00 -0.50 0.00 0.00 59.36 58.80 3fg0 h GLU 46 Cb 0.17 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.01 3fg0 h GLU 46 CO -0.03 0.67 0.10 -0.44 -1.40 0.00 0.00 179.01 177.91 3fg0 h ASP 47 N 0.50 0.48 -0.53 1.42 3.32 -1.66 -0.05 116.42 119.90 3fg0 h ASP 47 Ca 0.09 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 3fg0 h ASP 47 Cb 0.53 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 3fg0 h ASP 47 CO 0.03 0.56 0.29 0.00 -1.72 0.00 0.00 179.24 178.40 3fg0 h ALA 48 N 0.94 0.68 -0.71 3.45 0.00 -1.21 -0.84 119.26 121.57 3fg0 h ALA 48 Ca 0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 48 Cb 0.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3fg0 h ALA 48 CO -0.00 0.21 0.37 0.93 0.00 0.00 0.00 179.25 180.76 3fg0 h GLU 49 N 0.71 1.00 -0.82 0.00 5.08 -1.06 -1.57 114.58 117.93 3fg0 h GLU 49 Ca 0.19 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 3fg0 h GLU 49 Cb 0.05 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.08 3fg0 h GLU 49 CO -0.03 0.76 0.39 -0.09 -1.00 0.00 0.00 179.01 179.04 3fg0 h ARG 50 N 0.98 1.18 -0.41 2.33 2.43 -0.60 -0.39 114.38 119.90 3fg0 h ARG 50 Ca 0.25 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3fg0 h ARG 50 Cb 0.06 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3fg0 h ARG 50 CO -0.04 0.91 0.22 0.00 -1.51 0.00 0.00 179.97 179.54 3fg0 h ALA 51 N 1.21 0.52 -0.48 2.80 0.00 -0.85 -1.06 119.26 121.40 3fg0 h ALA 51 Ca 0.28 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3fg0 h ALA 51 Cb 0.12 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3fg0 h ALA 51 CO -0.04 0.05 0.15 0.82 0.00 0.00 0.00 179.25 180.24 3fg0 h ILE 52 N 0.52 1.23 -0.55 0.00 2.04 -0.98 0.32 117.51 120.09 3fg0 h ILE 52 Ca 0.14 -0.75 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 3fg0 h ILE 52 Cb 0.07 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 3fg0 h ILE 52 CO -0.02 0.27 0.16 -0.07 0.00 0.00 0.00 178.15 178.49 3fg0 h LEU 53 N 0.65 0.77 -0.49 1.44 3.38 -0.95 0.01 115.31 120.13 3fg0 h LEU 53 Ca 0.16 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3fg0 h LEU 53 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3fg0 h LEU 53 CO -0.01 0.74 -0.18 0.00 0.09 0.00 0.00 178.44 179.08 3fg0 h ALA 54 N 1.37 0.68 -0.63 1.53 0.00 -0.92 0.58 119.26 121.86 3fg0 h ALA 54 Ca 0.18 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3fg0 h ALA 54 Cb 0.26 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3fg0 h ALA 54 CO -0.01 0.64 0.31 0.00 0.00 0.00 0.00 179.25 180.20 3fg0 h ALA 55 N 0.87 0.81 -0.14 0.00 0.00 -0.51 0.08 119.26 120.38 3fg0 h ALA 55 Ca 0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fg0 h ALA 55 Cb 0.76 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3fg0 h ALA 55 CO 0.06 0.37 0.04 -0.09 0.00 0.00 0.00 179.25 179.63 3fg0 h ARG 56 N 0.87 0.22 -0.38 0.00 9.65 -0.79 0.33 114.38 124.27 3fg0 h ARG 56 Ca 0.22 -0.05 0.05 0.00 -1.10 0.00 0.00 59.98 59.10 3fg0 h ARG 56 Cb 0.10 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.61 3fg0 h ARG 56 CO -0.03 0.35 0.11 -0.09 2.80 0.00 0.00 179.97 183.12 3fg0 h ARG 57 N 0.04 0.25 -0.54 0.20 2.43 -0.58 -0.85 114.38 115.33 3fg0 h ARG 57 Ca 0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3fg0 h ARG 57 Cb 0.23 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.70 3fg0 h ARG 57 CO -0.00 0.16 0.28 0.00 -1.51 0.00 0.00 179.97 178.91 3fg0 h ALA 58 N 1.26 0.69 -0.34 2.80 0.00 -0.88 -1.01 119.26 121.79 3fg0 h ALA 58 Ca 0.18 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3fg0 h ALA 58 Cb 0.18 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3fg0 h ALA 58 CO -0.20 0.23 0.16 0.35 0.00 0.00 0.00 179.25 179.78 3fg0 h PHE 59 N 0.72 0.28 0.00 0.00 3.57 -0.41 -2.29 116.94 118.81 3fg0 h PHE 59 Ca 0.19 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 3fg0 h PHE 59 Cb 0.07 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 3fg0 h PHE 59 CO -0.01 0.15 -0.33 0.93 -2.23 0.00 0.00 178.31 176.82 3fg0 h GLU 60 N 0.33 0.00 0.00 1.11 4.39 -0.91 -2.16 114.58 117.33 3fg0 h GLU 60 Ca 0.14 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.80 3fg0 h GLU 60 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3fg0 h GLU 60 CO -0.11 0.33 -0.19 0.66 -1.16 0.00 0.00 179.01 178.54 3fg0 h SER 61 N 0.00 0.00 0.00 1.42 4.64 -0.61 -3.47 113.55 115.53 3fg0 h SER 61 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3fg0 h SER 61 Cb 0.63 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3fg0 h SER 61 CO 0.04 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3fg0 n GLY 62 N -0.63 0.91 0.37 -0.77 0.00 -0.81 -4.92 105.19 99.33 3fg0 n GLY 62 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.10 3fg0 n GLY 62 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3fg0 h GLU 63 N 2.70 0.82 0.00 1.61 5.08 -1.84 0.70 114.58 123.65 3fg0 h GLU 63 Ca 0.00 -0.05 -0.43 0.00 -1.00 0.00 0.00 59.36 57.88 3fg0 h GLU 63 Cb 0.00 -0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.00 3fg0 h GLU 63 CO 0.00 0.54 -2.48 1.87 -1.00 0.00 0.00 179.01 177.94 3fg0 n TRP 64 N -4.61 0.00 0.27 4.33 -0.00 -1.26 -3.78 117.44 112.39 3fg0 n TRP 64 Ca 0.19 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.81 3fg0 n TRP 64 Cb 0.42 -0.97 0.78 0.00 -0.00 0.00 0.00 31.31 31.54 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 -0.60 0.00 -0.28 5.87 4.64 -1.58 -2.20 113.55 119.39 3fg0 h SER 65 Ca -0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.68 3fg0 h SER 65 Cb 1.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.80 3fg0 h SER 65 CO -0.29 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 175.74 3fg0 n GLN 66 N -3.86 2.23 -1.90 4.77 1.13 0.24 -4.89 117.38 115.09 3fg0 n GLN 66 Ca -0.02 -1.87 -0.35 0.00 -1.94 0.00 0.00 57.00 52.81 3fg0 n GLN 66 Cb 0.16 -1.29 0.04 0.00 0.11 0.00 0.00 30.24 29.26 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 -1.02 2.84 0.49 -1.09 2.56 -0.83 -4.95 118.70 116.70 3fg0 s GLU 67 Ca 0.23 1.75 -0.23 0.00 0.00 0.00 0.00 54.97 56.73 3fg0 s GLU 67 Cb 0.13 -1.92 -0.06 0.00 2.00 0.00 0.00 34.13 34.27 3fg0 s GLU 67 CO 0.18 -1.29 1.25 0.95 -0.56 0.00 0.00 175.26 175.78 3fg0 s THR 68 N -1.76 2.66 0.36 -1.70 -4.23 -1.26 -4.86 115.64 104.85 3fg0 s THR 68 Ca 0.75 0.50 0.03 0.00 -1.18 0.00 0.00 61.69 61.79 3fg0 s THR 68 Cb -0.29 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.56 3fg0 s THR 68 CO 0.36 -0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.45 3fg0 h ALA 69 N 1.83 1.57 -0.24 3.99 0.00 -1.92 -1.05 119.26 123.44 3fg0 h ALA 69 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3fg0 h ALA 69 Cb 1.27 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3fg0 h ALA 69 CO 0.59 0.40 0.15 1.49 0.00 0.00 0.00 179.25 181.88 3fg0 h GLU 70 N 0.83 0.32 -0.65 0.00 4.81 -1.90 -0.90 114.58 117.09 3fg0 h GLU 70 Ca 0.23 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.38 3fg0 h GLU 70 Cb -0.08 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 3fg0 h GLU 70 CO -0.05 0.24 0.18 1.15 -0.73 0.00 0.00 179.01 179.79 3fg0 h THR 71 N 0.31 1.25 -0.60 0.32 2.02 -1.83 -2.03 112.91 112.35 3fg0 h THR 71 Ca 0.09 -0.90 0.07 0.00 0.77 0.00 0.00 66.41 66.44 3fg0 h THR 71 Cb -0.01 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3fg0 h THR 71 CO -0.02 0.34 0.29 0.03 0.37 0.00 0.00 175.52 176.53 3fg0 h ARG 72 N 0.94 0.51 -0.91 6.66 3.08 -0.97 -1.89 114.38 121.80 3fg0 h ARG 72 Ca 0.21 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.27 3fg0 h ARG 72 Cb 0.33 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.21 3fg0 h ARG 72 CO -0.00 0.34 0.59 0.78 -1.07 0.00 0.00 179.97 180.60 3fg0 h GLY 73 N 0.53 1.35 1.01 0.04 0.00 -0.79 -1.31 103.07 103.91 3fg0 h GLY 73 Ca 0.28 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 3fg0 h GLY 73 CO -0.22 0.35 0.44 0.50 0.00 0.00 0.00 176.54 177.60 3fg0 h LYS 74 N 1.11 1.10 -0.44 4.80 1.57 -0.65 -0.11 116.57 123.95 3fg0 h LYS 74 Ca 0.38 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.93 3fg0 h LYS 74 Cb 0.07 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3fg0 h LYS 74 CO -0.14 0.81 -0.14 0.87 -0.57 0.00 0.00 179.45 180.27 3fg0 h LYS 75 N 1.09 0.82 -0.24 3.15 1.79 -0.82 -0.17 116.57 122.21 3fg0 h LYS 75 Ca 0.28 -0.30 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 3fg0 h LYS 75 Cb 0.02 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3fg0 h LYS 75 CO -0.05 0.92 -0.38 0.28 -1.08 0.00 0.00 179.45 179.15 3fg0 h VAL 76 N 0.74 1.30 -0.58 0.50 2.07 -0.93 -2.03 116.25 117.31 3fg0 h VAL 76 Ca 0.12 -1.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.04 3fg0 h VAL 76 Cb 0.65 1.52 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 3fg0 h VAL 76 CO 0.05 0.48 0.04 -0.09 0.02 0.00 0.00 177.57 178.07 3fg0 h ARG 77 N 0.44 0.97 -0.49 1.57 2.43 -0.63 -2.12 114.38 116.56 3fg0 h ARG 77 Ca 0.04 -0.27 -0.01 0.00 -0.81 0.00 0.00 59.98 58.93 3fg0 h ARG 77 Cb 0.86 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3fg0 h ARG 77 CO 0.07 0.93 0.24 0.00 -1.51 0.00 0.00 179.97 179.71 3fg0 h ALA 78 N 1.14 1.51 -0.22 2.80 0.00 -0.46 -0.75 119.26 123.27 3fg0 h ALA 78 Ca 0.17 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3fg0 h ALA 78 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3fg0 h ALA 78 CO 0.02 0.40 0.04 0.82 0.00 0.00 0.00 179.25 180.53 3fg0 h ILE 79 N 0.68 1.22 -0.72 0.00 2.04 -0.99 -1.90 117.51 117.84 3fg0 h ILE 79 Ca 0.17 -0.73 0.12 0.00 1.00 0.00 0.00 64.86 65.42 3fg0 h ILE 79 Cb 0.06 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 3fg0 h ILE 79 CO -0.03 0.23 0.32 0.00 0.00 0.00 0.00 178.15 178.67 3fg0 h ALA 80 N 0.85 1.01 -0.49 1.87 0.00 -0.74 -1.31 119.26 120.44 3fg0 h ALA 80 Ca 0.07 0.09 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3fg0 h ALA 80 Cb 0.31 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3fg0 h ALA 80 CO 0.00 -0.15 0.02 -0.44 0.00 0.00 0.00 179.25 178.69 3fg0 h ASP 81 N 0.50 0.76 -0.58 0.00 3.32 -0.93 -2.22 116.42 117.27 3fg0 h ASP 81 Ca 0.38 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 3fg0 h ASP 81 Cb 0.51 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 3fg0 h ASP 81 CO -0.34 0.81 0.16 0.11 -1.72 0.00 0.00 179.24 178.26 3fg0 h LYS 82 N 0.75 0.96 -0.45 3.56 1.79 -0.48 -0.80 116.57 121.90 3fg0 h LYS 82 Ca 0.15 -0.21 -0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3fg0 h LYS 82 Cb 0.42 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 30.91 3fg0 h LYS 82 CO 0.02 0.85 0.27 0.82 -1.08 0.00 0.00 179.45 180.33 3fg0 h ILE 83 N 0.92 1.14 -0.37 1.86 1.08 -0.68 -1.13 117.51 120.33 3fg0 h ILE 83 Ca 0.20 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.27 3fg0 h ILE 83 Cb 0.32 0.54 -0.01 0.00 -3.07 0.00 0.00 36.82 34.60 3fg0 h ILE 83 CO -0.00 0.14 -0.09 0.50 -0.69 0.00 0.00 178.15 178.01 3fg0 h LYS 84 N 0.59 0.71 -0.71 2.37 3.64 -1.30 -0.13 116.57 121.75 3fg0 h LYS 84 Ca 0.16 -0.27 0.10 0.00 -1.27 0.00 0.00 60.65 59.36 3fg0 h LYS 84 Cb -0.01 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.70 3fg0 h LYS 84 CO -0.03 0.87 0.34 1.49 -2.27 0.00 0.00 179.45 179.84 3fg0 h GLU 85 N 0.51 0.55 -0.59 1.90 4.81 -0.84 -2.38 114.58 118.53 3fg0 h GLU 85 Ca 0.09 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3fg0 h GLU 85 Cb 0.61 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3fg0 h GLU 85 CO 0.04 0.36 0.08 0.72 -0.73 0.00 0.00 179.01 179.47 3fg0 n HIS 86 N -4.89 2.09 -0.22 0.92 8.25 -0.45 -4.71 115.22 116.20 3fg0 n HIS 86 Ca 0.11 -0.89 0.03 0.00 -0.26 0.00 0.00 57.72 56.71 3fg0 n HIS 86 Cb 0.29 -0.55 0.14 0.00 1.12 0.00 0.00 29.99 30.99 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 3.40 0.25 0.27 -0.41 2.43 -0.47 -0.55 114.38 119.30 3fg0 h ARG 87 Ca 0.08 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3fg0 h ARG 87 Cb 2.04 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.54 3fg0 h ARG 87 CO 0.54 0.16 -0.13 1.49 -1.51 0.00 0.00 179.97 180.53 3fg0 h GLU 88 N 0.25 -0.34 -0.86 0.20 4.57 -1.84 -0.90 114.58 115.66 3fg0 h GLU 88 Ca 0.36 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.59 3fg0 h GLU 88 Cb 0.57 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.19 3fg0 h GLU 88 CO -0.46 -0.09 0.56 0.00 -1.18 0.00 0.00 179.01 177.84 3fg0 h ALA 89 N 0.11 1.12 -0.47 2.92 0.00 -1.88 -1.18 119.26 119.88 3fg0 h ALA 89 Ca -0.04 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3fg0 h ALA 89 Cb 0.41 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3fg0 h ALA 89 CO 0.06 0.43 0.15 -0.07 0.00 0.00 0.00 179.25 179.82 3fg0 h LEU 90 N 1.10 0.67 -0.52 0.00 3.38 -1.02 -0.16 115.31 118.76 3fg0 h LEU 90 Ca 0.34 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 3fg0 h LEU 90 Cb -0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3fg0 h LEU 90 CO -0.10 0.70 0.17 0.00 0.09 0.00 0.00 178.44 179.30 3fg0 h ALA 91 N 1.00 0.68 -0.57 1.53 0.00 -0.93 -1.24 119.26 119.73 3fg0 h ALA 91 Ca 0.15 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 91 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3fg0 h ALA 91 CO -0.01 0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.75 3fg0 h ARG 92 N 0.71 0.89 -0.82 0.00 3.08 -1.10 -1.81 114.38 115.34 3fg0 h ARG 92 Ca 0.17 -0.19 0.01 0.00 0.07 0.00 0.00 59.98 60.04 3fg0 h ARG 92 Cb 0.26 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3fg0 h ARG 92 CO -0.01 0.80 0.54 -0.07 -1.07 0.00 0.00 179.97 180.16 3fg0 h LEU 93 N 0.80 0.94 -0.79 3.04 3.38 -0.84 -0.86 115.31 120.98 3fg0 h LEU 93 Ca 0.18 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 3fg0 h LEU 93 Cb 0.28 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3fg0 h LEU 93 CO -0.01 0.68 0.30 -0.08 0.09 0.00 0.00 178.44 179.42 3fg0 h GLU 94 N 1.11 1.19 -0.50 1.13 4.57 -0.84 -0.39 114.58 120.83 3fg0 h GLU 94 Ca 0.30 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 58.14 3fg0 h GLU 94 Cb -0.13 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 28.26 3fg0 h GLU 94 CO -0.06 0.97 -0.15 1.15 -1.18 0.00 0.00 179.01 179.74 3fg0 h THR 95 N 1.15 1.27 -0.52 0.32 2.02 -1.02 0.17 112.91 116.29 3fg0 h THR 95 Ca 0.26 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 66.15 3fg0 h THR 95 Cb 0.24 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 3fg0 h THR 95 CO -0.02 0.45 0.33 0.25 0.37 0.00 0.00 175.52 176.90 3fg0 h LEU 96 N 0.86 0.61 0.14 2.58 5.85 -0.81 -0.82 115.31 123.72 3fg0 h LEU 96 Ca 0.13 -0.04 -0.30 0.00 0.84 0.00 0.00 57.88 58.51 3fg0 h LEU 96 Cb 0.70 -0.15 0.03 0.00 0.37 0.00 0.00 40.66 41.61 3fg0 h LEU 96 CO 0.05 0.46 -1.29 -0.78 -0.34 0.00 0.00 178.44 176.55 3fg0 h ASP 97 N 0.70 0.82 0.00 1.25 3.58 -0.83 -3.40 116.42 118.54 3fg0 h ASP 97 Ca 0.19 -0.79 0.00 0.00 0.42 0.00 0.00 57.03 56.85 3fg0 h ASP 97 Cb -0.05 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.74 3fg0 h ASP 97 CO -0.04 1.60 -1.24 0.35 -2.88 0.00 0.00 179.24 177.03 3fg0 n THR 98 N -3.75 0.00 0.00 2.25 -2.24 0.03 -4.59 114.28 105.98 3fg0 n THR 98 Ca -0.14 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3fg0 n THR 98 Cb 1.01 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 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 1.52 2.17 3.72 3.38 0.00 -0.31 -4.73 105.19 110.94 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 -0.34 2.11 0.70 1.61 -2.85 -1.26 -4.18 119.74 115.54 3fg0 s LYS 100 Ca 0.00 1.70 -0.16 0.00 -1.00 0.00 0.00 55.97 56.51 3fg0 s LYS 100 Cb 0.00 -1.84 0.02 0.00 -2.06 0.00 0.00 37.83 33.95 3fg0 s LYS 100 CO 0.00 -1.84 1.26 0.95 0.10 0.00 0.00 175.35 175.82 3fg0 s THR 101 N -2.08 2.09 0.31 3.79 -4.23 -1.26 -4.52 115.64 109.74 3fg0 s THR 101 Ca 0.73 0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 61.28 3fg0 s THR 101 Cb -0.28 -2.82 0.24 0.00 1.34 0.00 0.00 72.50 70.98 3fg0 s THR 101 CO 0.46 -0.02 1.95 0.25 -0.54 0.00 0.00 174.62 176.72 3fg0 h LEU 102 N 0.06 0.87 -0.59 4.79 5.85 -1.58 -1.25 115.31 123.46 3fg0 h LEU 102 Ca -0.49 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.17 3fg0 h LEU 102 Cb 1.32 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3fg0 h LEU 102 CO 0.51 0.67 0.34 -0.08 -0.34 0.00 0.00 178.44 179.54 3fg0 h GLU 103 N 1.00 0.80 -0.66 1.25 4.81 -1.91 0.37 114.58 120.25 3fg0 h GLU 103 Ca 0.26 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.44 3fg0 h GLU 103 Cb -0.04 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 3fg0 h GLU 103 CO -0.05 0.59 0.41 0.93 -0.73 0.00 0.00 179.01 180.17 3fg0 h GLU 104 N 0.79 0.79 -0.71 1.92 5.08 -1.75 -1.24 114.58 119.46 3fg0 h GLU 104 Ca 0.21 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3fg0 h GLU 104 Cb 0.01 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3fg0 h GLU 104 CO -0.04 0.52 0.25 0.77 -1.00 0.00 0.00 179.01 179.51 3fg0 h SER 105 N 0.81 1.01 -0.85 1.42 0.02 -0.40 -0.91 113.55 114.66 3fg0 h SER 105 Ca 0.26 -0.20 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 3fg0 h SER 105 Cb 0.01 -0.26 -0.05 0.00 0.14 0.00 0.00 62.40 62.23 3fg0 h SER 105 CO -0.10 0.94 0.55 1.88 -1.14 0.00 0.00 176.83 178.95 3fg0 h TYR 106 N 1.03 1.02 -0.15 3.45 0.05 -0.53 -0.78 116.97 121.07 3fg0 h TYR 106 Ca 0.23 0.03 0.01 0.00 0.05 0.00 0.00 58.73 59.05 3fg0 h TYR 106 Cb 0.27 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.65 3fg0 h TYR 106 CO 0.02 0.59 0.05 0.00 -1.05 0.00 0.00 178.16 177.77 3fg0 h ALA 107 N 1.36 0.16 -0.60 3.88 0.00 -0.76 -1.34 119.26 121.96 3fg0 h ALA 107 Ca 0.34 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.37 3fg0 h ALA 107 Cb 0.01 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.72 3fg0 h ALA 107 CO -0.12 -0.39 0.15 -0.44 0.00 0.00 0.00 179.25 178.46 3fg0 h ASP 108 N 0.13 0.05 -0.39 0.00 3.32 -0.67 -1.36 116.42 117.50 3fg0 h ASP 108 Ca 0.06 0.10 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3fg0 h ASP 108 Cb 0.03 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3fg0 h ASP 108 CO -0.06 0.04 -0.01 0.24 -1.72 0.00 0.00 179.24 177.73 3fg0 h MET 109 N 0.29 0.77 -0.33 3.56 2.86 -0.56 0.12 114.93 121.64 3fg0 h MET 109 Ca 0.31 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3fg0 h MET 109 Cb 0.45 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.00 3fg0 h MET 109 CO -0.38 0.79 0.16 -0.44 1.06 0.00 0.00 176.91 178.10 3fg0 h ASP 110 N 0.72 0.44 -0.52 1.22 3.32 -0.95 -1.35 116.42 119.30 3fg0 h ASP 110 Ca 0.14 -0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.08 3fg0 h ASP 110 Cb 0.45 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 3fg0 h ASP 110 CO 0.02 0.45 0.31 0.44 -1.72 0.00 0.00 179.24 178.74 3fg0 h ASP 111 N 0.40 0.51 -0.46 6.45 3.32 -0.76 -2.02 116.42 123.86 3fg0 h ASP 111 Ca 0.11 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3fg0 h ASP 111 Cb 0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3fg0 h ASP 111 CO -0.01 0.36 0.24 0.40 -1.72 0.00 0.00 179.24 178.50 3fg0 h ILE 112 N 0.62 1.17 -0.38 0.35 2.04 -0.60 0.19 117.51 120.91 3fg0 h ILE 112 Ca 0.21 -0.47 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3fg0 h ILE 112 Cb 0.02 0.65 -0.05 0.00 -0.74 0.00 0.00 36.82 36.70 3fg0 h ILE 112 CO -0.09 0.19 0.11 -0.74 0.00 0.00 0.00 178.15 177.61 3fg0 h HIS 113 N 0.60 0.18 -0.05 1.37 2.76 -1.07 -1.75 115.15 117.19 3fg0 h HIS 113 Ca 0.16 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.27 3fg0 h HIS 113 Cb 0.08 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 3fg0 h HIS 113 CO -0.01 0.06 -0.33 -0.91 -1.30 0.00 0.00 177.93 175.43 3fg0 h ASN 114 N 0.25 0.09 0.11 3.26 2.35 -0.64 -0.73 115.58 120.26 3fg0 h ASN 114 Ca 0.18 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.89 3fg0 h ASN 114 Cb 0.18 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.53 3fg0 h ASN 114 CO -0.21 0.42 -0.05 0.58 -1.65 0.00 0.00 177.43 176.52 3fg0 h VAL 115 N 0.08 1.06 -0.89 2.81 2.07 -0.18 0.43 116.25 121.62 3fg0 h VAL 115 Ca 0.01 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.84 3fg0 h VAL 115 Cb 0.62 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3fg0 h VAL 115 CO 0.05 0.17 0.58 -0.26 0.02 0.00 0.00 177.57 178.12 3fg0 h PHE 116 N -0.47 1.12 -0.46 1.57 0.04 -1.22 -2.29 116.94 115.23 3fg0 h PHE 116 Ca -0.02 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 3fg0 h PHE 116 Cb 0.39 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.14 3fg0 h PHE 116 CO 0.03 0.71 0.23 0.52 -0.60 0.00 0.00 178.31 179.20 3fg0 h MET 117 N 1.21 0.67 0.17 1.51 2.86 -1.04 -0.53 114.93 119.78 3fg0 h MET 117 Ca 0.32 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 3fg0 h MET 117 Cb -0.13 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.39 3fg0 h MET 117 CO -0.07 0.56 -0.18 -0.92 1.06 0.00 0.00 176.91 177.36 3fg0 h TYR 118 N 0.61 -0.47 -0.07 -0.22 3.20 -0.65 -1.87 116.97 117.49 3fg0 h TYR 118 Ca 0.16 0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3fg0 h TYR 118 Cb 0.11 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3fg0 h TYR 118 CO -0.01 -0.27 -0.42 0.74 -1.64 0.00 0.00 178.16 176.56 3fg0 h PHE 119 N -0.39 0.19 -0.69 -3.82 0.04 -1.37 -1.16 116.94 109.74 3fg0 h PHE 119 Ca 0.00 -0.05 0.04 0.00 2.80 0.00 0.00 57.97 60.76 3fg0 h PHE 119 Cb 0.37 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3fg0 h PHE 119 CO -0.15 0.56 0.42 0.00 -0.60 0.00 0.00 178.31 178.54 3fg0 h ALA 120 N 1.44 0.92 0.00 2.45 0.00 -0.92 -1.78 119.26 121.37 3fg0 h ALA 120 Ca 0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 3fg0 h ALA 120 Cb 0.80 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3fg0 h ALA 120 CO 0.06 0.16 -0.43 0.78 0.00 0.00 0.00 179.25 179.83 3fg0 h GLY 121 N 0.81 0.00 1.75 0.00 0.00 -0.67 -3.15 103.07 101.80 3fg0 h GLY 121 Ca 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 3fg0 h GLY 121 CO -0.13 0.00 -0.28 -2.00 0.00 0.00 0.00 176.54 174.13 3fg0 h LEU 122 N 0.00 0.00 -0.74 3.11 5.85 -0.71 -3.39 115.31 119.42 3fg0 h LEU 122 Ca -0.00 0.00 0.16 0.00 0.84 0.00 0.00 57.88 58.88 3fg0 h LEU 122 Cb 0.89 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.81 3fg0 h LEU 122 CO 0.06 0.04 0.13 0.00 -0.34 0.00 0.00 178.44 178.32 3fg0 h ALA 123 N 1.96 0.91 -0.49 1.25 0.00 -1.30 -1.70 119.26 119.89 3fg0 h ALA 123 Ca -0.00 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 3fg0 h ALA 123 Cb 1.03 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.03 3fg0 h ALA 123 CO 0.00 -0.37 0.10 -0.40 0.00 0.00 0.00 179.25 178.58 3fg0 n ASP 124 N -5.21 4.10 -0.57 0.00 5.75 -1.26 -4.61 116.55 114.75 3fg0 n ASP 124 Ca 0.14 -3.25 0.12 0.00 -0.01 0.00 0.00 54.79 51.79 3fg0 n ASP 124 Cb 0.47 -0.65 0.08 0.00 -1.03 0.00 0.00 41.12 39.99 3fg0 n ASP 124 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3fg0 n LYS 125 N -0.44 1.43 -3.15 0.11 4.76 -0.64 -4.87 118.16 115.36 3fg0 n LYS 125 Ca 0.32 -1.14 0.04 0.00 -2.87 0.00 0.00 58.31 54.66 3fg0 n LYS 125 Cb 1.14 -1.48 -0.00 0.00 -1.84 0.00 0.00 35.03 32.85 3fg0 n LYS 125 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3fg0 s ASP 126 N -2.36 -1.49 0.00 4.39 2.15 -1.26 -5.03 116.67 113.08 3fg0 s ASP 126 Ca 0.22 0.43 0.23 0.00 0.43 0.00 0.00 52.55 53.86 3fg0 s ASP 126 Cb 0.19 2.05 0.48 0.00 -0.30 0.00 0.00 42.92 45.34 3fg0 s ASP 126 CO 0.50 -0.27 1.43 0.61 -0.17 0.00 0.00 175.17 177.26 3fg0 n GLY 127 N 5.41 1.11 0.00 2.66 0.00 -1.26 -4.93 105.19 108.19 3fg0 n GLY 127 Ca 0.03 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 1.37 0.74 3.00 -0.02 0.00 -1.26 -1.82 105.19 107.19 3fg0 n GLY 128 Ca 0.17 -2.10 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 3fg0 n GLY 128 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3fg0 s GLU 129 N -0.91 0.36 -0.14 1.61 8.01 0.17 -4.98 118.70 122.83 3fg0 s GLU 129 Ca 0.00 -0.59 -0.15 0.00 0.01 0.00 0.00 54.97 54.24 3fg0 s GLU 129 Cb 0.00 -0.06 -0.05 0.00 -4.31 0.00 0.00 34.13 29.72 3fg0 s GLU 129 CO 0.00 -0.01 0.34 -1.64 0.01 0.00 0.00 175.26 173.96 3fg0 s MET 130 N -1.33 4.23 -0.07 1.61 -1.94 -1.26 -0.21 119.30 120.33 3fg0 s MET 130 Ca -0.12 0.19 -0.02 0.00 -1.71 0.00 0.00 55.69 54.02 3fg0 s MET 130 Cb -0.09 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.31 3fg0 s MET 130 CO -0.00 0.27 0.04 0.42 -0.01 0.00 0.00 175.02 175.74 3fg0 s ILE 131 N 0.35 4.61 -0.78 2.53 -1.09 -0.01 -4.96 121.20 121.84 3fg0 s ILE 131 Ca 0.19 -0.22 -0.25 0.00 -2.23 0.00 0.00 60.65 58.14 3fg0 s ILE 131 Cb -0.14 -2.99 0.05 0.00 -1.58 0.00 0.00 42.46 37.80 3fg0 s ILE 131 CO 0.06 0.54 1.24 -1.81 -1.23 0.00 0.00 174.94 173.74 3fg0 s ASP 132 N -1.13 6.24 0.29 3.58 1.01 -1.26 -4.29 116.67 121.12 3fg0 s ASP 132 Ca 0.16 -0.80 -0.29 0.00 0.71 0.00 0.00 52.55 52.33 3fg0 s ASP 132 Cb -0.12 -2.53 -0.10 0.00 1.01 0.00 0.00 42.92 41.19 3fg0 s ASP 132 CO 0.05 -1.67 1.30 -0.55 0.21 0.00 0.00 175.17 174.52 3fg0 s SER 133 N 3.93 6.83 0.00 0.27 0.15 -1.26 -4.91 113.70 118.72 3fg0 s SER 133 Ca 0.34 2.59 0.30 0.00 0.70 0.00 0.00 55.95 59.88 3fg0 s SER 133 Cb -0.08 -2.64 1.45 0.00 -1.71 0.00 0.00 66.02 63.04 3fg0 s SER 133 CO 0.09 -0.51 1.99 -0.81 1.20 0.00 0.00 173.24 175.20 3fg0 n PRO 134 N 1.37 0.73 -3.64 5.44 -0.04 -1.26 -4.71 135.00 132.89 3fg0 n PRO 134 Ca 0.02 -0.15 -0.38 0.00 -0.04 0.00 0.00 63.50 62.95 3fg0 n PRO 134 Cb 0.42 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.27 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 -2.38 4.96 0.45 0.52 1.01 -1.26 -5.07 121.20 119.43 3fg0 s ILE 135 Ca 0.33 -0.01 -0.24 0.00 0.00 0.00 0.00 60.65 60.73 3fg0 s ILE 135 Cb 0.21 -3.38 -0.09 0.00 0.01 0.00 0.00 42.46 39.21 3fg0 s ILE 135 CO 0.44 0.24 1.16 -2.65 0.00 0.00 0.00 174.94 174.13 3fg0 n PRO 136 N 5.02 1.59 -3.40 2.79 -0.02 -1.26 -3.22 135.00 136.50 3fg0 n PRO 136 Ca -0.14 0.57 -0.19 0.00 -2.02 0.00 0.00 63.50 61.72 3fg0 n PRO 136 Cb 0.51 -2.26 0.08 0.00 -0.02 0.00 0.00 33.50 31.81 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 0.07 -4.03 -4.03 2.55 8.00 -1.26 -4.95 116.55 112.91 3fg0 n ASP 137 Ca 0.09 -0.53 -0.09 0.00 0.71 0.00 0.00 54.79 54.97 3fg0 n ASP 137 Cb 0.41 -4.67 -0.11 0.00 -0.02 0.00 0.00 41.12 36.73 3fg0 n ASP 137 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3fg0 s THR 138 N -3.31 0.22 -0.08 -3.53 -4.23 -1.20 -1.27 115.64 102.23 3fg0 s THR 138 Ca 0.27 -1.20 0.04 0.00 -1.18 0.00 0.00 61.69 59.62 3fg0 s THR 138 Cb -0.12 -0.68 -0.01 0.00 1.34 0.00 0.00 72.50 73.03 3fg0 s THR 138 CO 0.66 -0.63 -0.20 -0.70 -0.54 0.00 0.00 174.62 173.21 3fg0 s GLU 139 N -2.19 2.85 -0.14 3.99 2.12 0.35 -4.82 118.70 120.86 3fg0 s GLU 139 Ca -0.08 -0.82 0.00 0.00 0.36 0.00 0.00 54.97 54.43 3fg0 s GLU 139 Cb -0.05 -2.33 0.02 0.00 0.26 0.00 0.00 34.13 32.03 3fg0 s GLU 139 CO -0.03 0.33 -0.13 0.45 -0.54 0.00 0.00 175.26 175.34 3fg0 s SER 140 N -0.01 2.54 0.05 -1.70 0.15 -1.26 -0.52 113.70 112.95 3fg0 s SER 140 Ca -0.06 -0.44 0.04 0.00 0.70 0.00 0.00 55.95 56.18 3fg0 s SER 140 Cb -0.15 -1.10 -0.02 0.00 -1.71 0.00 0.00 66.02 63.04 3fg0 s SER 140 CO 0.05 -0.06 -0.11 -1.59 1.20 0.00 0.00 173.24 172.73 3fg0 s LYS 141 N 1.47 0.68 -0.26 5.44 -2.85 -0.71 -0.83 119.74 122.67 3fg0 s LYS 141 Ca 0.03 -0.77 -0.04 0.00 -1.00 0.00 0.00 55.97 54.20 3fg0 s LYS 141 Cb -0.13 -0.58 0.02 0.00 -2.06 0.00 0.00 37.83 35.08 3fg0 s LYS 141 CO -0.09 0.13 -0.01 0.42 0.10 0.00 0.00 175.35 175.90 3fg0 s ILE 142 N -1.15 3.31 -0.16 3.79 -1.09 0.71 -0.91 121.20 125.70 3fg0 s ILE 142 Ca -0.05 -0.87 -0.08 0.00 -2.23 0.00 0.00 60.65 57.42 3fg0 s ILE 142 Cb -0.09 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 3fg0 s ILE 142 CO 0.01 0.17 0.13 -0.69 -1.23 0.00 0.00 174.94 173.33 3fg0 s VAL 143 N 1.40 5.40 -0.29 2.92 1.01 0.22 -0.65 120.40 130.41 3fg0 s VAL 143 Ca 0.01 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.05 3fg0 s VAL 143 Cb -0.17 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3fg0 s VAL 143 CO -0.02 0.53 0.25 -0.54 0.00 0.00 0.00 175.10 175.32 3fg0 s LYS 144 N -0.29 3.89 0.29 2.72 -0.14 -0.76 -0.72 119.74 124.73 3fg0 s LYS 144 Ca 0.11 -0.28 0.09 0.00 -1.36 0.00 0.00 55.97 54.54 3fg0 s LYS 144 Cb -0.12 -3.68 -0.04 0.00 -1.68 0.00 0.00 37.83 32.31 3fg0 s LYS 144 CO 0.01 -0.25 0.02 -1.21 -0.76 0.00 0.00 175.35 173.15 3fg0 s GLU 145 N 1.85 2.27 0.46 1.68 2.02 0.19 -4.86 118.70 122.30 3fg0 s GLU 145 Ca 0.09 -1.48 -0.25 0.00 0.02 0.00 0.00 54.97 53.35 3fg0 s GLU 145 Cb -0.16 -2.13 -0.08 0.00 0.10 0.00 0.00 34.13 31.86 3fg0 s GLU 145 CO 0.11 0.30 1.39 -1.25 0.02 0.00 0.00 175.26 175.82 3fg0 s PRO 146 N -3.70 3.66 0.45 0.39 0.04 -1.26 -0.04 135.00 134.53 3fg0 s PRO 146 Ca 0.33 2.32 0.17 0.00 0.04 0.00 0.00 61.00 63.86 3fg0 s PRO 146 Cb -0.05 -2.61 1.05 0.00 0.04 0.00 0.00 34.50 32.93 3fg0 s PRO 146 CO 0.20 -0.80 1.98 -0.24 0.04 0.00 0.00 177.00 178.18 3fg0 h VAL 147 N 2.19 1.04 0.00 -0.36 3.04 -1.20 -3.41 116.25 117.56 3fg0 h VAL 147 Ca -0.51 -0.71 0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3fg0 h VAL 147 Cb 1.27 1.39 0.00 0.00 -2.01 0.00 0.00 31.29 31.94 3fg0 h VAL 147 CO 0.61 0.20 0.00 0.61 -1.01 0.00 0.00 177.57 177.97 3fg0 n GLY 148 N -0.86 0.43 3.70 3.17 0.00 -1.26 -4.84 105.19 105.53 3fg0 n GLY 148 Ca -0.02 -1.09 -0.38 0.00 0.00 0.00 0.00 46.02 44.53 3fg0 n GLY 148 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3fg0 s VAL 149 N 0.00 5.18 -0.03 1.61 1.01 -1.26 -2.48 120.40 124.43 3fg0 s VAL 149 Ca 0.00 0.88 0.06 0.00 0.00 0.00 0.00 61.98 62.92 3fg0 s VAL 149 Cb 0.00 -3.79 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3fg0 s VAL 149 CO 0.00 0.29 -0.20 0.68 0.00 0.00 0.00 175.10 175.87 3fg0 s VAL 150 N 0.93 1.61 -0.01 2.92 -7.23 -0.19 -0.29 120.40 118.13 3fg0 s VAL 150 Ca 0.24 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.58 3fg0 s VAL 150 Cb -0.15 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 3fg0 s VAL 150 CO 0.09 0.46 -0.01 0.42 -0.31 0.00 0.00 175.10 175.74 3fg0 s THR 151 N -0.29 4.05 -0.04 5.32 -4.23 -0.44 -1.15 115.64 118.86 3fg0 s THR 151 Ca 0.03 -0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3fg0 s THR 151 Cb -0.10 -2.79 0.03 0.00 1.34 0.00 0.00 72.50 70.98 3fg0 s THR 151 CO 0.01 0.40 -0.00 -1.10 -0.54 0.00 0.00 174.62 173.38 3fg0 s GLN 152 N -1.46 0.46 -0.09 3.99 -0.21 0.29 -0.88 119.66 121.76 3fg0 s GLN 152 Ca 0.18 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.64 3fg0 s GLN 152 Cb -0.11 -0.68 0.02 0.00 1.00 0.00 0.00 33.01 33.23 3fg0 s GLN 152 CO 0.09 -0.18 -0.10 0.42 -2.12 0.00 0.00 175.29 173.40 3fg0 s ILE 153 N 1.32 1.09 0.31 1.08 1.01 -0.47 -0.44 121.20 125.09 3fg0 s ILE 153 Ca -0.05 -0.39 0.09 0.00 0.00 0.00 0.00 60.65 60.30 3fg0 s ILE 153 Cb -0.13 -1.05 -0.06 0.00 0.01 0.00 0.00 42.46 41.23 3fg0 s ILE 153 CO -0.02 0.36 -0.11 0.42 0.00 0.00 0.00 174.94 175.59 3fg0 s THR 154 N 1.16 2.11 0.31 2.92 -4.23 -1.01 -2.00 115.64 114.90 3fg0 s THR 154 Ca -0.05 -2.23 0.05 0.00 -1.18 0.00 0.00 61.69 58.28 3fg0 s THR 154 Cb -0.14 -2.50 0.05 0.00 1.34 0.00 0.00 72.50 71.25 3fg0 s THR 154 CO -0.02 -0.29 0.42 -0.81 -0.54 0.00 0.00 174.62 173.38 3fg0 n PRO 155 N -0.68 0.81 0.00 3.99 -0.04 -1.20 -2.45 135.00 135.42 3fg0 n PRO 155 Ca -0.05 -1.70 0.12 0.00 -0.04 0.00 0.00 63.50 61.83 3fg0 n PRO 155 Cb 0.63 -0.11 0.16 0.00 -0.04 0.00 0.00 33.50 34.14 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 -1.65 0.00 0.06 0.54 4.27 -1.26 -4.03 117.44 115.38 3fg0 n TRP 156 Ca 0.08 0.00 -0.23 0.00 -3.89 0.00 0.00 57.50 53.46 3fg0 n TRP 156 Cb 0.32 -0.07 -0.15 0.00 -1.36 0.00 0.00 31.31 30.05 3fg0 n TRP 156 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3fg0 h ASN 157 N 1.43 0.57 -2.08 -0.67 -1.07 -1.97 -3.40 115.58 108.38 3fg0 h ASN 157 Ca 0.00 -0.92 -0.54 0.00 0.07 0.00 0.00 56.30 54.92 3fg0 h ASN 157 Cb 0.60 -0.19 -0.40 0.00 -2.07 0.00 0.00 38.32 36.26 3fg0 h ASN 157 CO 0.00 1.73 -0.99 -1.22 0.07 0.00 0.00 177.43 177.02 3fg0 n TYR 158 N -3.70 1.24 0.03 4.14 4.02 -1.26 -5.02 117.16 116.61 3fg0 n TYR 158 Ca -0.24 -3.83 -0.13 0.00 -0.01 0.00 0.00 57.90 53.69 3fg0 n TYR 158 Cb 1.03 -0.43 -0.07 0.00 -0.02 0.00 0.00 39.34 39.85 3fg0 n TYR 158 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 3fg0 h PRO 159 N 3.37 -0.51 -0.05 -0.72 0.11 -1.78 0.14 132.00 132.55 3fg0 h PRO 159 Ca 0.11 0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.08 3fg0 h PRO 159 Cb 0.82 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3fg0 h PRO 159 CO 0.59 -0.34 -0.72 1.25 -0.21 0.00 0.00 178.00 178.57 3fg0 h LEU 160 N -0.53 0.32 0.12 2.35 5.85 -1.92 -1.33 115.31 120.16 3fg0 h LEU 160 Ca 0.06 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 3fg0 h LEU 160 Cb 0.64 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.58 3fg0 h LEU 160 CO -0.36 0.94 -0.06 0.25 -0.34 0.00 0.00 178.44 178.87 3fg0 h LEU 161 N 0.18 -0.13 -1.38 2.25 5.85 -1.84 0.12 115.31 120.37 3fg0 h LEU 161 Ca -0.02 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3fg0 h LEU 161 Cb 1.28 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 3fg0 h LEU 161 CO 0.11 -0.01 -0.11 1.56 -0.34 0.00 0.00 178.44 179.65 3fg0 h GLN 162 N -0.25 0.28 -0.44 1.25 4.20 -0.95 -1.88 115.11 117.32 3fg0 h GLN 162 Ca -0.02 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 3fg0 h GLN 162 Cb 0.20 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3fg0 h GLN 162 CO 0.03 0.40 -0.06 0.00 -0.67 0.00 0.00 178.83 178.53 3fg0 h ALA 163 N 1.63 0.60 -0.38 3.87 0.00 -0.99 -3.19 119.26 120.79 3fg0 h ALA 163 Ca 0.05 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 3fg0 h ALA 163 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3fg0 h ALA 163 CO 0.02 0.44 -0.06 0.66 0.00 0.00 0.00 179.25 180.32 3fg0 h SER 164 N 0.65 0.60 0.19 0.00 4.64 -0.22 -0.01 113.55 119.41 3fg0 h SER 164 Ca 0.12 -0.15 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 3fg0 h SER 164 Cb 0.57 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3fg0 h SER 164 CO 0.03 0.71 -0.06 -0.50 -0.87 0.00 0.00 176.83 176.14 3fg0 h TRP 165 N 0.59 0.00 0.00 4.77 4.06 -1.37 -2.19 115.95 121.81 3fg0 h TRP 165 Ca 0.11 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.72 3fg0 h TRP 165 Cb 0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.57 3fg0 h TRP 165 CO 0.02 0.06 -1.87 1.63 -3.56 0.00 0.00 178.44 174.72 3fg0 n LYS 166 N -3.72 0.58 -0.20 0.49 5.02 -0.88 -4.53 118.16 114.93 3fg0 n LYS 166 Ca -0.02 0.42 -0.08 0.00 -2.02 0.00 0.00 58.31 56.61 3fg0 n LYS 166 Cb 0.16 -1.63 0.02 0.00 -0.02 0.00 0.00 35.03 33.57 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 -0.96 1.23 0.33 -0.18 2.04 -1.03 -2.84 117.51 116.11 3fg0 h ILE 167 Ca -0.51 -0.74 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 3fg0 h ILE 167 Cb 1.47 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 38.19 3fg0 h ILE 167 CO -0.30 0.28 -0.18 0.00 0.00 0.00 0.00 178.15 177.95 3fg0 h ALA 168 N 1.06 -0.48 -0.15 1.87 0.00 -1.62 -0.48 119.26 119.46 3fg0 h ALA 168 Ca 0.19 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 168 Cb 0.23 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3fg0 h ALA 168 CO -0.01 -0.77 -0.37 -1.00 0.00 0.00 0.00 179.25 177.10 3fg0 h PRO 169 N -0.48 0.32 -0.21 0.00 0.13 -1.80 -0.68 132.00 129.28 3fg0 h PRO 169 Ca -0.04 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3fg0 h PRO 169 Cb 0.39 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 3fg0 h PRO 169 CO 0.06 0.64 0.13 0.00 -0.23 0.00 0.00 178.00 178.60 3fg0 h ALA 170 N 1.35 0.26 -0.39 -0.56 0.00 -1.21 -1.34 119.26 117.36 3fg0 h ALA 170 Ca 0.03 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3fg0 h ALA 170 Cb 0.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3fg0 h ALA 170 CO 0.06 -0.27 -0.38 -0.07 0.00 0.00 0.00 179.25 178.59 3fg0 h LEU 171 N 0.27 1.00 -0.89 0.00 3.38 -0.99 -1.24 115.31 116.84 3fg0 h LEU 171 Ca 0.08 -0.46 0.05 0.00 0.09 0.00 0.00 57.88 57.64 3fg0 h LEU 171 Cb -0.02 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.39 3fg0 h LEU 171 CO -0.03 1.26 0.56 0.00 0.09 0.00 0.00 178.44 180.33 3fg0 h ALA 172 N 0.79 1.21 0.00 1.53 0.00 -0.86 -2.55 119.26 119.37 3fg0 h ALA 172 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 172 Cb 0.98 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3fg0 h ALA 172 CO 0.09 0.36 -0.18 0.25 0.00 0.00 0.00 179.25 179.77 3fg0 n THR 173 N -4.57 0.23 -0.15 0.00 -2.24 -0.53 -4.75 114.28 102.27 3fg0 n THR 173 Ca 0.12 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3fg0 n THR 173 Cb 0.14 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 3fg0 n THR 173 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fg0 n GLY 174 N 1.42 0.92 3.80 3.38 0.00 -0.96 -4.09 105.19 109.66 3fg0 n GLY 174 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3fg0 n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s SER 176 N -3.77 5.89 0.11 0.00 0.01 -1.04 -4.64 113.70 110.26 3fg0 s SER 176 Ca 0.60 0.27 0.06 0.00 1.31 0.00 0.00 55.95 58.19 3fg0 s SER 176 Cb -0.15 -1.78 -0.04 0.00 0.21 0.00 0.00 66.02 64.27 3fg0 s SER 176 CO 0.55 0.33 -0.14 -1.48 0.41 0.00 0.00 173.24 172.91 3fg0 s LEU 177 N -1.37 2.36 -0.15 2.44 0.05 0.28 -1.03 118.68 121.26 3fg0 s LEU 177 Ca 0.19 -0.75 -0.00 0.00 0.05 0.00 0.00 54.13 53.62 3fg0 s LEU 177 Cb -0.12 -0.55 0.03 0.00 -2.05 0.00 0.00 46.19 43.50 3fg0 s LEU 177 CO 0.09 -0.12 -0.07 -0.69 -0.55 0.00 0.00 176.35 175.01 3fg0 s VAL 178 N -1.85 1.16 -0.13 1.48 1.01 -0.30 -1.70 120.40 120.07 3fg0 s VAL 178 Ca 0.06 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3fg0 s VAL 178 Cb -0.07 -1.24 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3fg0 s VAL 178 CO 0.03 0.26 -0.05 -0.32 0.00 0.00 0.00 175.10 175.02 3fg0 s MET 179 N 1.63 3.41 -0.22 2.72 0.00 0.20 -0.55 119.30 126.50 3fg0 s MET 179 Ca 0.03 -0.53 -0.01 0.00 0.00 0.00 0.00 55.69 55.17 3fg0 s MET 179 Cb -0.14 -2.81 0.06 0.00 0.00 0.00 0.00 34.83 31.94 3fg0 s MET 179 CO -0.08 0.36 -0.01 0.21 0.00 0.00 0.00 175.02 175.50 3fg0 s LYS 180 N 0.04 1.12 0.89 4.11 2.20 0.41 -0.98 119.74 127.53 3fg0 s LYS 180 Ca -0.00 -0.72 -0.13 0.00 -0.36 0.00 0.00 55.97 54.76 3fg0 s LYS 180 Cb -0.13 -2.34 0.13 0.00 -1.51 0.00 0.00 37.83 33.97 3fg0 s LYS 180 CO 0.03 -0.63 1.18 -1.25 -0.36 0.00 0.00 175.35 174.31 3fg0 s PRO 181 N 1.63 1.28 0.28 4.03 0.04 -1.26 -2.40 135.00 138.59 3fg0 s PRO 181 Ca -0.03 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 3fg0 s PRO 181 Cb -0.18 -1.87 -0.12 0.00 0.04 0.00 0.00 34.50 32.37 3fg0 s PRO 181 CO -0.08 -2.07 1.51 0.45 0.04 0.00 0.00 177.00 176.85 3fg0 n SER 182 N -3.64 3.39 0.31 6.66 2.88 -1.03 -4.65 113.62 117.54 3fg0 n SER 182 Ca 0.08 1.15 0.18 0.00 -1.33 0.00 0.00 58.87 58.95 3fg0 n SER 182 Cb 0.60 -1.53 1.01 0.00 -0.75 0.00 0.00 64.21 63.54 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 4.41 0.00 -0.00 -1.46 9.09 -1.90 -2.11 114.58 122.61 3fg0 h GLU 183 Ca -0.46 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.95 3fg0 h GLU 183 Cb 1.25 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3fg0 h GLU 183 CO 0.77 0.01 -0.57 0.44 0.05 0.00 0.00 179.01 179.70 3fg0 n ILE 184 N -3.55 0.00 -3.19 -1.06 -5.35 -1.26 -4.50 119.36 100.44 3fg0 n ILE 184 Ca -0.03 -0.01 -0.23 0.00 -0.27 0.00 0.00 62.75 62.22 3fg0 n ILE 184 Cb 0.09 0.39 -0.06 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.45 -0.47 1.14 7.28 -2.24 -0.79 -4.62 114.28 113.13 3fg0 n THR 185 Ca 0.06 -4.18 0.12 0.00 -2.27 0.00 0.00 64.05 57.78 3fg0 n THR 185 Cb 0.34 -1.60 0.21 0.00 -2.10 0.00 0.00 70.33 67.17 3fg0 n THR 185 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 3fg0 n PRO 186 N 1.14 1.19 0.12 -0.78 -0.04 -1.22 -4.52 135.00 130.89 3fg0 n PRO 186 Ca 0.22 -0.87 -0.14 0.00 -0.04 0.00 0.00 63.50 62.68 3fg0 n PRO 186 Cb 0.55 -1.48 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 3fg0 n PRO 186 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3fg0 h LEU 187 N 2.12 -0.21 -1.13 1.53 3.38 -1.92 -1.66 115.31 117.41 3fg0 h LEU 187 Ca 0.00 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3fg0 h LEU 187 Cb 0.65 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3fg0 h LEU 187 CO 0.00 -0.09 -0.23 0.71 0.09 0.00 0.00 178.44 178.92 3fg0 h THR 188 N -0.31 0.58 -0.19 0.22 1.35 -1.89 -1.97 112.91 110.70 3fg0 h THR 188 Ca -0.02 -1.13 -0.19 0.00 -0.55 0.00 0.00 66.41 64.51 3fg0 h THR 188 Cb 0.24 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 68.43 3fg0 h THR 188 CO 0.04 0.23 -0.64 0.74 -0.25 0.00 0.00 175.52 175.64 3fg0 h THR 189 N 0.00 1.29 -0.57 6.82 2.02 -1.78 -0.12 112.91 120.57 3fg0 h THR 189 Ca -0.00 -1.84 0.02 0.00 0.77 0.00 0.00 66.41 65.35 3fg0 h THR 189 Cb 0.74 1.89 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 3fg0 h THR 189 CO 0.03 0.59 0.36 0.40 0.37 0.00 0.00 175.52 177.26 3fg0 h ILE 190 N 0.51 1.10 -0.58 3.11 2.04 -1.10 -1.50 117.51 121.07 3fg0 h ILE 190 Ca -0.02 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 3fg0 h ILE 190 Cb 1.26 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3fg0 h ILE 190 CO 0.14 0.13 0.30 -0.09 0.00 0.00 0.00 178.15 178.62 3fg0 h ARG 191 N 0.72 0.83 -0.11 2.37 9.65 -1.07 -1.45 114.38 125.31 3fg0 h ARG 191 Ca 0.22 -0.11 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3fg0 h ARG 191 Cb -0.02 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.39 3fg0 h ARG 191 CO -0.08 0.66 -0.26 -0.24 2.80 0.00 0.00 179.97 182.85 3fg0 h VAL 192 N 0.79 1.23 -0.24 0.20 3.04 -0.79 -1.25 116.25 119.23 3fg0 h VAL 192 Ca 0.20 -1.08 -0.09 0.00 -1.01 0.00 0.00 66.70 64.72 3fg0 h VAL 192 Cb 0.09 1.44 -0.01 0.00 -2.01 0.00 0.00 31.29 30.79 3fg0 h VAL 192 CO -0.03 0.33 -0.24 -0.26 -1.01 0.00 0.00 177.57 176.35 3fg0 h PHE 193 N 0.17 0.51 -0.55 3.17 -1.00 -0.43 0.15 116.94 118.97 3fg0 h PHE 193 Ca 0.03 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.67 3fg0 h PHE 193 Cb 0.55 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.96 3fg0 h PHE 193 CO 0.01 0.67 0.21 0.93 -1.61 0.00 0.00 178.31 178.52 3fg0 h GLU 194 N 0.41 0.82 -0.58 1.51 5.08 -0.37 -0.15 114.58 121.29 3fg0 h GLU 194 Ca 0.06 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 3fg0 h GLU 194 Cb 0.65 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3fg0 h GLU 194 CO 0.05 0.72 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.66 3fg0 h LEU 195 N 0.75 1.04 -0.73 1.33 3.38 -0.80 -2.15 115.31 118.13 3fg0 h LEU 195 Ca 0.18 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.74 3fg0 h LEU 195 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3fg0 h LEU 195 CO -0.01 1.11 -0.11 0.24 0.09 0.00 0.00 178.44 179.76 3fg0 h MET 196 N 0.95 0.85 -0.92 1.13 2.86 -0.54 -1.86 114.93 117.41 3fg0 h MET 196 Ca 0.16 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 3fg0 h MET 196 Cb 0.61 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 3fg0 h MET 196 CO 0.04 0.92 0.60 1.49 1.06 0.00 0.00 176.91 181.02 3fg0 h GLU 197 N 0.76 1.22 -0.96 1.72 4.81 -0.81 -1.26 114.58 120.05 3fg0 h GLU 197 Ca 0.13 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3fg0 h GLU 197 Cb 0.62 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 3fg0 h GLU 197 CO 0.04 0.81 0.62 0.93 -0.73 0.00 0.00 179.01 180.68 3fg0 h GLU 198 N 1.25 1.28 -0.29 1.92 5.08 -0.97 -2.47 114.58 120.38 3fg0 h GLU 198 Ca 0.34 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3fg0 h GLU 198 Cb -0.13 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 28.83 3fg0 h GLU 198 CO -0.07 0.86 0.18 0.28 -1.00 0.00 0.00 179.01 179.26 3fg0 h VAL 199 N 1.31 1.10 0.00 3.13 2.07 -0.53 -3.49 116.25 119.84 3fg0 h VAL 199 Ca 0.35 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3fg0 h VAL 199 Cb -0.12 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3fg0 h VAL 199 CO -0.07 0.09 0.00 0.61 0.02 0.00 0.00 177.57 178.22 3fg0 n GLY 200 N -1.08 1.16 3.07 2.17 0.00 -0.56 -5.11 105.19 104.84 3fg0 n GLY 200 Ca -0.02 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 0.69 0.43 1.61 0.08 -1.26 -5.05 117.98 114.47 3fg0 s PHE 201 Ca 0.00 -0.52 -0.25 0.00 0.12 0.00 0.00 56.93 56.28 3fg0 s PHE 201 Cb 0.00 -0.41 -0.10 0.00 -0.57 0.00 0.00 43.02 41.94 3fg0 s PHE 201 CO 0.00 -0.09 1.29 -2.30 -0.10 0.00 0.00 175.22 174.03 3fg0 n PRO 202 N 1.39 1.97 -1.63 0.24 -0.02 -1.26 -4.85 135.00 130.84 3fg0 n PRO 202 Ca -0.22 0.70 -0.52 0.00 -2.02 0.00 0.00 63.50 61.44 3fg0 n PRO 202 Cb 0.55 -2.41 -0.06 0.00 -0.02 0.00 0.00 33.50 31.56 3fg0 n PRO 202 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3fg0 n LYS 203 N 0.01 1.37 0.00 -0.52 4.81 -1.26 -1.45 118.16 121.12 3fg0 n LYS 203 Ca 0.06 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 3fg0 n LYS 203 Cb 0.40 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.27 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 3.07 2.88 0.28 3.14 0.00 -1.26 -4.65 105.19 108.64 3fg0 n GLY 204 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.15 3fg0 n GLY 204 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3fg0 h THR 205 N 0.00 1.22 -4.37 2.61 2.02 -1.54 -3.27 112.91 109.58 3fg0 h THR 205 Ca 0.00 -0.65 -0.64 0.00 0.77 0.00 0.00 66.41 65.89 3fg0 h THR 205 Cb 0.00 0.47 -0.28 0.00 -1.74 0.00 0.00 68.15 66.60 3fg0 h THR 205 CO 0.00 0.26 -0.87 0.27 0.37 0.00 0.00 175.52 175.56 3fg0 s ILE 206 N -5.67 1.87 -0.08 3.11 -4.36 -1.26 -0.56 121.20 114.25 3fg0 s ILE 206 Ca -0.13 -1.14 -0.09 0.00 -0.26 0.00 0.00 60.65 59.03 3fg0 s ILE 206 Cb 0.13 -1.58 0.02 0.00 1.25 0.00 0.00 42.46 42.29 3fg0 s ILE 206 CO 0.79 0.40 0.25 0.20 0.24 0.00 0.00 174.94 176.83 3fg0 s ASN 207 N -0.88 -0.24 -0.18 4.36 0.01 -0.69 -4.52 114.94 112.81 3fg0 s ASN 207 Ca 0.09 0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.68 3fg0 s ASN 207 Cb -0.09 0.48 0.03 0.00 0.41 0.00 0.00 41.25 42.08 3fg0 s ASN 207 CO 0.01 -0.13 -0.16 -0.22 -1.51 0.00 0.00 177.10 175.08 3fg0 s LEU 208 N -0.08 2.13 -0.10 0.60 2.96 0.39 -0.63 118.68 123.95 3fg0 s LEU 208 Ca -0.02 -0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 53.16 3fg0 s LEU 208 Cb -0.02 -1.35 -0.03 0.00 0.50 0.00 0.00 46.19 45.28 3fg0 s LEU 208 CO 0.01 -0.06 0.01 -0.63 -1.32 0.00 0.00 176.35 174.36 3fg0 s ILE 209 N 1.35 4.39 -0.10 6.68 -1.09 -0.16 -1.26 121.20 131.02 3fg0 s ILE 209 Ca 0.03 -0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.26 3fg0 s ILE 209 Cb -0.14 -2.86 -0.01 0.00 -1.58 0.00 0.00 42.46 37.87 3fg0 s ILE 209 CO -0.11 0.59 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.24 3fg0 s LEU 210 N -0.75 2.34 0.00 2.97 1.43 -1.26 -4.07 118.68 119.34 3fg0 s LEU 210 Ca 0.12 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3fg0 s LEU 210 Cb -0.12 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.62 3fg0 s LEU 210 CO 0.02 0.19 0.00 0.61 0.23 0.00 0.00 176.35 177.40 3fg0 n GLY 211 N 3.36 2.50 3.77 -3.19 0.00 -1.26 -0.05 105.19 110.31 3fg0 n GLY 211 Ca -0.18 -1.24 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 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 3.41 0.47 4.61 0.00 -1.26 -4.29 121.76 122.71 3fg0 s ALA 212 Ca 0.00 1.16 0.13 0.00 0.00 0.00 0.00 51.96 53.25 3fg0 s ALA 212 Cb 0.00 -3.44 1.10 0.00 0.00 0.00 0.00 23.12 20.78 3fg0 s ALA 212 CO 0.00 -0.56 2.08 0.78 0.00 0.00 0.00 175.76 178.07 3fg0 h GLY 213 N 3.30 0.29 2.00 0.00 0.00 -1.96 -1.22 103.07 105.48 3fg0 h GLY 213 Ca -0.49 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 3fg0 h GLY 213 CO 0.65 0.09 -0.03 1.48 0.00 0.00 0.00 176.54 178.73 3fg0 h SER 214 N 0.26 0.00 0.00 0.19 4.64 -1.98 0.11 113.55 116.76 3fg0 h SER 214 Ca 0.11 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.11 3fg0 h SER 214 Cb 0.12 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.16 3fg0 h SER 214 CO -0.02 0.03 -2.22 1.21 -0.87 0.00 0.00 176.83 174.96 3fg0 n GLU 215 N -3.17 0.70 -0.00 4.77 2.13 -0.53 -4.78 120.64 119.76 3fg0 n GLU 215 Ca -0.00 0.09 0.03 0.00 0.66 0.00 0.00 57.16 57.94 3fg0 n GLU 215 Cb 0.26 -1.44 -0.03 0.00 0.27 0.00 0.00 31.44 30.50 3fg0 n GLU 215 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 3fg0 n VAL 216 N -3.02 0.00 -0.17 6.31 0.24 -0.77 -3.92 118.33 117.00 3fg0 n VAL 216 Ca -0.36 -0.34 -0.08 0.00 -2.04 0.00 0.00 64.34 61.53 3fg0 n VAL 216 Cb 0.94 0.93 0.01 0.00 -1.47 0.00 0.00 33.84 34.25 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 1.32 0.76 2.00 7.63 0.00 -0.93 -2.69 103.07 111.16 3fg0 h GLY 217 Ca 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 46.91 3fg0 h GLY 217 CO 0.00 0.34 -0.32 -0.55 0.00 0.00 0.00 176.54 176.01 3fg0 h ASP 218 N 0.67 0.00 -0.36 0.19 3.32 -1.88 -1.44 116.42 116.92 3fg0 h ASP 218 Ca 0.18 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3fg0 h ASP 218 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3fg0 h ASP 218 CO -0.03 0.32 -0.15 0.58 -1.72 0.00 0.00 179.24 178.24 3fg0 h VAL 219 N 0.00 1.28 -0.07 -1.35 2.07 -1.83 0.12 116.25 116.47 3fg0 h VAL 219 Ca -0.00 -1.25 -0.08 0.00 0.82 0.00 0.00 66.70 66.18 3fg0 h VAL 219 Cb 0.62 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3fg0 h VAL 219 CO 0.04 0.41 -0.32 0.24 0.02 0.00 0.00 177.57 177.96 3fg0 h MET 220 N 0.52 0.14 0.00 1.57 2.86 -1.11 -1.63 114.93 117.28 3fg0 h MET 220 Ca 0.08 -0.05 -0.15 0.00 -2.06 0.00 0.00 59.70 57.52 3fg0 h MET 220 Cb 0.68 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.30 3fg0 h MET 220 CO 0.05 0.45 -1.48 -1.13 1.06 0.00 0.00 176.91 175.86 3fg0 n SER 221 N -4.12 0.73 -0.39 1.22 3.41 -0.59 -4.54 113.62 109.34 3fg0 n SER 221 Ca -0.01 0.32 0.06 0.00 -0.26 0.00 0.00 58.87 58.97 3fg0 n SER 221 Cb 0.40 0.39 0.03 0.00 -0.26 0.00 0.00 64.21 64.77 3fg0 n SER 221 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fg0 n GLY 222 N 1.39 -0.23 3.75 5.00 0.00 0.03 -3.54 105.19 111.59 3fg0 n GLY 222 Ca -0.10 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3fg0 n GLY 222 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3fg0 s HIS 223 N -1.15 3.50 0.47 1.61 2.46 -0.62 -4.83 115.29 116.73 3fg0 s HIS 223 Ca 0.12 1.61 0.37 0.00 0.47 0.00 0.00 55.06 57.63 3fg0 s HIS 223 Cb 0.09 -3.35 1.90 0.00 -0.13 0.00 0.00 32.58 31.10 3fg0 s HIS 223 CO 0.19 -0.81 2.20 1.57 -2.47 0.00 0.00 174.74 175.43 3fg0 h LYS 224 N 4.14 0.00 -0.01 2.88 2.10 -1.95 -2.77 116.57 120.97 3fg0 h LYS 224 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 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 0.69 0.03 -0.02 0.39 -2.00 0.00 0.00 179.45 178.54 3fg0 n GLU 225 N -3.29 1.37 -3.08 0.07 -0.58 -1.26 -4.83 120.64 109.04 3fg0 n GLU 225 Ca -0.02 -0.61 -0.39 0.00 -0.42 0.00 0.00 57.16 55.72 3fg0 n GLU 225 Cb 0.17 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.50 3fg0 n GLU 225 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3fg0 s VAL 226 N -2.05 4.80 -0.10 2.62 1.01 -1.05 -4.52 120.40 121.11 3fg0 s VAL 226 Ca 0.40 1.47 0.17 0.00 0.00 0.00 0.00 61.98 64.01 3fg0 s VAL 226 Cb 0.21 -4.04 -0.25 0.00 0.00 0.00 0.00 36.38 32.31 3fg0 s VAL 226 CO 0.36 0.39 0.23 0.47 0.00 0.00 0.00 175.10 176.55 3fg0 n ASP 227 N 2.74 0.82 -3.75 3.32 8.00 0.60 -4.88 116.55 123.40 3fg0 n ASP 227 Ca -0.04 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.33 3fg0 n ASP 227 Cb 0.50 1.37 -0.12 0.00 -0.02 0.00 0.00 41.12 42.86 3fg0 n ASP 227 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3fg0 s LEU 228 N -4.76 0.59 -0.20 0.64 2.96 -1.11 -3.07 118.68 113.72 3fg0 s LEU 228 Ca -0.08 0.62 -0.03 0.00 -0.22 0.00 0.00 54.13 54.42 3fg0 s LEU 228 Cb 0.08 0.98 -0.01 0.00 0.50 0.00 0.00 46.19 47.74 3fg0 s LEU 228 CO 0.73 -0.14 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.87 3fg0 s VAL 229 N 0.68 3.25 -0.18 1.68 1.01 -0.35 -1.33 120.40 125.16 3fg0 s VAL 229 Ca -0.04 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 3fg0 s VAL 229 Cb -0.06 -2.46 0.00 0.00 0.00 0.00 0.00 36.38 33.87 3fg0 s VAL 229 CO -0.04 0.45 -0.14 -0.55 0.00 0.00 0.00 175.10 174.81 3fg0 s SER 230 N 1.30 3.62 -0.01 3.32 0.15 -0.06 -1.37 113.70 120.64 3fg0 s SER 230 Ca 0.04 -0.51 0.03 0.00 0.70 0.00 0.00 55.95 56.21 3fg0 s SER 230 Cb -0.14 -1.57 -0.01 0.00 -1.71 0.00 0.00 66.02 62.59 3fg0 s SER 230 CO -0.03 0.04 -0.10 0.12 1.20 0.00 0.00 173.24 174.47 3fg0 s PHE 231 N 1.10 0.93 -0.07 3.44 5.36 -0.06 -1.37 117.98 127.31 3fg0 s PHE 231 Ca 0.00 -0.19 0.03 0.00 -0.96 0.00 0.00 56.93 55.81 3fg0 s PHE 231 Cb -0.14 -0.62 0.01 0.00 -0.34 0.00 0.00 43.02 41.93 3fg0 s PHE 231 CO -0.05 -0.03 -0.14 0.99 -1.46 0.00 0.00 175.22 174.52 3fg0 s THR 232 N -0.15 1.31 -2.21 0.12 2.01 -0.85 -1.38 115.64 114.50 3fg0 s THR 232 Ca 0.02 -0.58 0.00 0.00 0.31 0.00 0.00 61.69 61.44 3fg0 s THR 232 Cb -0.05 -1.18 0.00 0.00 0.01 0.00 0.00 72.50 71.28 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 3.76 -0.58 3.97 4.40 0.00 -0.67 -3.23 105.19 112.83 3fg0 n GLY 233 Ca -0.22 -0.52 -0.21 0.00 0.00 0.00 0.00 46.02 45.06 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 1.58 0.26 -0.02 0.00 -1.26 -3.66 107.32 104.22 3fg0 s GLY 234 Ca 0.00 -1.21 -0.04 0.00 0.00 0.00 0.00 44.72 43.47 3fg0 s GLY 234 CO 0.00 -1.07 1.91 1.19 0.00 0.00 0.00 173.10 175.13 3fg0 h ILE 235 N 0.58 1.17 -0.24 0.90 2.10 -1.92 -0.62 117.51 119.49 3fg0 h ILE 235 Ca -0.46 -0.43 -0.07 0.00 1.08 0.00 0.00 64.86 64.98 3fg0 h ILE 235 Cb 1.25 -0.19 -0.01 0.00 -1.09 0.00 0.00 36.82 36.79 3fg0 h ILE 235 CO 0.56 0.23 -0.12 -0.33 -1.08 0.00 0.00 178.15 177.41 3fg0 h GLU 236 N 1.26 0.50 -0.45 2.19 4.39 -1.95 -1.40 114.58 119.12 3fg0 h GLU 236 Ca 0.40 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.76 3fg0 h GLU 236 Cb 0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 3fg0 h GLU 236 CO -0.12 0.76 -0.18 1.15 -1.16 0.00 0.00 179.01 179.46 3fg0 h THR 237 N 0.21 1.27 -0.51 1.13 2.02 -1.96 -2.50 112.91 112.57 3fg0 h THR 237 Ca 0.05 -1.31 0.03 0.00 0.77 0.00 0.00 66.41 65.95 3fg0 h THR 237 Cb 0.62 1.12 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 3fg0 h THR 237 CO 0.03 0.45 0.30 1.23 0.37 0.00 0.00 175.52 177.90 3fg0 h GLY 238 N 0.94 0.72 1.28 2.16 0.00 -0.89 -0.03 103.07 107.27 3fg0 h GLY 238 Ca 0.11 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 47.14 3fg0 h GLY 238 CO 0.05 0.19 0.01 0.50 0.00 0.00 0.00 176.54 177.29 3fg0 h LYS 239 N 0.60 0.87 -0.52 4.80 1.57 -1.14 -1.19 116.57 121.55 3fg0 h LYS 239 Ca 0.21 -0.24 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3fg0 h LYS 239 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3fg0 h LYS 239 CO -0.10 0.86 0.20 1.25 -0.57 0.00 0.00 179.45 181.09 3fg0 h HIS 240 N 0.81 0.80 -0.52 -1.35 2.76 -0.98 -1.41 115.15 115.27 3fg0 h HIS 240 Ca 0.16 -0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 3fg0 h HIS 240 Cb 0.46 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 3fg0 h HIS 240 CO 0.03 0.66 0.19 0.82 -1.30 0.00 0.00 177.93 178.33 3fg0 h ILE 241 N 0.71 1.22 -0.55 6.26 2.04 -0.72 -1.58 117.51 124.89 3fg0 h ILE 241 Ca 0.17 -0.72 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 3fg0 h ILE 241 Cb 0.21 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3fg0 h ILE 241 CO -0.01 0.27 0.14 -0.03 0.00 0.00 0.00 178.15 178.52 3fg0 h MET 242 N 0.71 0.87 -0.73 2.37 4.05 -0.92 0.95 114.93 122.24 3fg0 h MET 242 Ca 0.17 -0.21 -0.04 0.00 -0.28 0.00 0.00 59.70 59.34 3fg0 h MET 242 Cb 0.24 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.89 3fg0 h MET 242 CO -0.01 0.82 0.30 0.87 0.23 0.00 0.00 176.91 179.12 3fg0 h LYS 243 N 0.78 1.07 -0.10 0.39 1.57 -1.11 -1.68 116.57 117.48 3fg0 h LYS 243 Ca 0.17 -0.18 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 3fg0 h LYS 243 Cb 0.33 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3fg0 h LYS 243 CO 0.00 0.86 -0.71 -0.97 -0.57 0.00 0.00 179.45 178.06 3fg0 h ASN 244 N 1.05 0.52 0.06 0.86 -1.24 -0.89 -3.02 115.58 112.92 3fg0 h ASN 244 Ca 0.25 -0.33 -0.02 0.00 0.71 0.00 0.00 56.30 56.90 3fg0 h ASN 244 Cb 0.18 -0.15 -0.00 0.00 0.73 0.00 0.00 38.32 39.07 3fg0 h ASN 244 CO -0.02 1.07 -0.08 0.00 -1.29 0.00 0.00 177.43 177.11 3fg0 h ALA 245 N 0.92 1.81 0.00 1.57 0.00 -0.54 -2.47 119.26 120.56 3fg0 h ALA 245 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3fg0 h ALA 245 Cb 1.28 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fg0 h ALA 245 CO 0.12 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.48 3fg0 h ALA 246 N 1.87 1.66 -0.23 0.00 0.00 -1.17 -1.68 119.26 119.72 3fg0 h ALA 246 Ca 0.01 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 246 Cb 0.17 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3fg0 h ALA 246 CO 0.01 0.05 0.18 -0.91 0.00 0.00 0.00 179.25 178.58 3fg0 h ASN 247 N 0.00 0.00 -0.03 0.00 2.35 -1.57 -1.19 115.58 115.14 3fg0 h ASN 247 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fg0 h ASN 247 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3fg0 h ASN 247 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3fg0 n ASN 248 N -4.27 2.36 -3.83 5.81 4.13 -0.98 -4.99 115.26 113.50 3fg0 n ASN 248 Ca 0.03 -2.68 -0.26 0.00 1.68 0.00 0.00 54.58 53.34 3fg0 n ASN 248 Cb 0.33 -0.29 0.02 0.00 -1.54 0.00 0.00 39.78 38.30 3fg0 n ASN 248 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3fg0 n VAL 249 N -0.99 -3.28 -3.13 2.41 0.31 -0.45 -4.92 118.33 108.28 3fg0 n VAL 249 Ca 0.11 -0.29 -0.39 0.00 -0.01 0.00 0.00 64.34 63.76 3fg0 n VAL 249 Cb 0.52 -3.24 -0.05 0.00 -0.91 0.00 0.00 33.84 30.16 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 -3.55 4.90 0.31 2.52 2.01 -0.67 -5.01 115.64 116.15 3fg0 s THR 250 Ca 0.28 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.35 3fg0 s THR 250 Cb -0.14 -3.99 -0.13 0.00 0.01 0.00 0.00 72.50 68.25 3fg0 s THR 250 CO 0.83 0.37 1.28 0.59 -0.69 0.00 0.00 174.62 177.01 3fg0 n ASN 251 N 2.95 2.57 -4.17 3.53 3.02 -1.17 -4.71 115.26 117.29 3fg0 n ASN 251 Ca -0.05 1.19 -0.22 0.00 -0.03 0.00 0.00 54.58 55.47 3fg0 n ASN 251 Cb 0.51 -1.45 -0.14 0.00 -0.61 0.00 0.00 39.78 38.09 3fg0 n ASN 251 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 3fg0 s ILE 252 N -0.83 1.29 -0.12 2.41 -0.00 -1.26 -1.21 121.20 121.48 3fg0 s ILE 252 Ca 0.59 -0.97 0.01 0.00 -0.00 0.00 0.00 60.65 60.27 3fg0 s ILE 252 Cb -0.61 -1.13 0.02 0.00 -0.00 0.00 0.00 42.46 40.74 3fg0 s ILE 252 CO 0.59 0.14 -0.12 0.00 -0.00 0.00 0.00 174.94 175.55 3fg0 s ALA 253 N -0.72 1.61 -0.02 2.27 0.00 -0.47 -4.74 121.76 119.69 3fg0 s ALA 253 Ca 0.04 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3fg0 s ALA 253 Cb -0.08 -0.92 -0.00 0.00 0.00 0.00 0.00 23.12 22.12 3fg0 s ALA 253 CO 0.01 -0.28 -0.09 -0.51 0.00 0.00 0.00 175.76 174.89 3fg0 s LEU 254 N 1.36 1.91 -0.14 0.00 1.43 0.11 -0.88 118.68 122.47 3fg0 s LEU 254 Ca 0.01 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3fg0 s LEU 254 Cb -0.13 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.60 3fg0 s LEU 254 CO -0.07 0.09 -0.06 -0.70 0.23 0.00 0.00 176.35 175.85 3fg0 s GLU 255 N -0.04 1.42 -0.18 1.70 -6.30 -0.48 -1.46 118.70 113.37 3fg0 s GLU 255 Ca 0.01 -0.37 0.15 0.00 -2.50 0.00 0.00 54.97 52.25 3fg0 s GLU 255 Cb -0.06 -1.78 0.38 0.00 0.00 0.00 0.00 34.13 32.67 3fg0 s GLU 255 CO -0.00 -0.36 1.22 1.28 0.02 0.00 0.00 175.26 177.42 3fg0 n LEU 256 N 4.92 2.74 0.00 2.70 4.77 0.59 -1.68 117.00 131.04 3fg0 n LEU 256 Ca -0.12 -3.50 0.00 0.00 -0.03 0.00 0.00 56.01 52.36 3fg0 n LEU 256 Cb 0.49 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 3fg0 n LEU 256 CO 0.16 1.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3fg0 n GLY 257 N -1.22 -1.76 3.15 -0.72 0.00 -1.24 -3.77 105.19 99.64 3fg0 n GLY 257 Ca 0.19 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.77 3fg0 n GLY 257 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3fg0 n GLY 258 N 0.00 0.67 2.74 -0.02 0.00 -1.16 -4.49 105.19 102.93 3fg0 n GLY 258 Ca 0.00 -1.09 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 3fg0 n GLY 258 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fg0 s LYS 259 N -2.04 1.83 -0.23 1.61 2.47 -1.26 -4.68 119.74 117.43 3fg0 s LYS 259 Ca 0.19 -2.74 -0.21 0.00 -1.56 0.00 0.00 55.97 51.66 3fg0 s LYS 259 Cb -0.02 -2.72 -0.02 0.00 -1.46 0.00 0.00 37.83 33.61 3fg0 s LYS 259 CO 0.04 -1.27 0.64 -0.80 0.16 0.00 0.00 175.35 174.11 3fg0 s ASN 260 N -0.66 6.63 0.27 1.43 0.01 -1.25 -4.88 114.94 116.48 3fg0 s ASN 260 Ca 0.25 0.78 -0.22 0.00 -0.71 0.00 0.00 52.86 52.95 3fg0 s ASN 260 Cb -0.08 -2.35 -0.09 0.00 0.41 0.00 0.00 41.25 39.15 3fg0 s ASN 260 CO -0.13 -0.34 0.81 -2.16 -1.51 0.00 0.00 177.10 173.77 3fg0 s PRO 261 N 2.28 4.37 -0.31 -0.60 0.04 -1.24 -2.85 135.00 136.68 3fg0 s PRO 261 Ca 0.28 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.38 3fg0 s PRO 261 Cb -0.16 -2.82 0.09 0.00 0.04 0.00 0.00 34.50 31.65 3fg0 s PRO 261 CO 0.09 0.34 0.02 1.21 0.04 0.00 0.00 177.00 178.70 3fg0 s ASN 262 N -1.67 4.49 -0.28 6.66 3.84 -0.20 -1.13 114.94 126.66 3fg0 s ASN 262 Ca 0.46 -1.85 -0.13 0.00 0.21 0.00 0.00 52.86 51.55 3fg0 s ASN 262 Cb -0.17 -1.43 -0.04 0.00 -0.55 0.00 0.00 41.25 39.06 3fg0 s ASN 262 CO 0.22 -0.34 0.29 -0.63 -2.79 0.00 0.00 177.10 173.85 3fg0 s ILE 263 N 1.11 5.23 -0.26 -5.21 1.01 -0.46 -1.01 121.20 121.62 3fg0 s ILE 263 Ca 0.06 0.37 0.03 0.00 0.00 0.00 0.00 60.65 61.11 3fg0 s ILE 263 Cb -0.19 -3.63 0.06 0.00 0.01 0.00 0.00 42.46 38.71 3fg0 s ILE 263 CO -0.10 0.18 -0.11 -0.63 0.00 0.00 0.00 174.94 174.28 3fg0 s ILE 264 N 1.93 2.21 0.60 2.92 1.01 0.51 -0.36 121.20 130.02 3fg0 s ILE 264 Ca 0.11 -1.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.09 3fg0 s ILE 264 Cb -0.16 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.00 3fg0 s ILE 264 CO 0.10 0.00 0.98 -0.36 0.00 0.00 0.00 174.94 175.67 3fg0 s PHE 265 N 1.12 3.57 0.31 3.97 0.08 -0.59 -1.36 117.98 125.09 3fg0 s PHE 265 Ca -0.08 1.14 0.07 0.00 0.12 0.00 0.00 56.93 58.18 3fg0 s PHE 265 Cb -0.20 -2.67 0.75 0.00 -0.57 0.00 0.00 43.02 40.34 3fg0 s PHE 265 CO -0.05 -0.65 1.79 0.22 -0.10 0.00 0.00 175.22 176.43 3fg0 h ASP 266 N -0.23 0.77 -0.39 1.36 3.58 -1.89 -1.77 116.42 117.85 3fg0 h ASP 266 Ca -0.45 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.08 3fg0 h ASP 266 Cb 1.20 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 42.19 3fg0 h ASP 266 CO 0.62 0.30 0.01 -0.90 -2.88 0.00 0.00 179.24 176.38 3fg0 n ASP 267 N -4.72 4.14 -4.77 2.28 5.75 -1.26 -4.89 116.55 113.09 3fg0 n ASP 267 Ca 0.22 -2.63 -0.32 0.00 -0.01 0.00 0.00 54.79 52.06 3fg0 n ASP 267 Cb 0.56 -0.63 0.07 0.00 -1.03 0.00 0.00 41.12 40.09 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 -2.17 2.35 -0.34 2.12 0.00 -0.67 -0.92 121.76 122.14 3fg0 s ALA 268 Ca 0.36 0.35 -0.28 0.00 0.00 0.00 0.00 51.96 52.39 3fg0 s ALA 268 Cb 0.28 -3.28 -0.02 0.00 0.00 0.00 0.00 23.12 20.10 3fg0 s ALA 268 CO 0.10 -1.57 1.80 0.34 0.00 0.00 0.00 175.76 176.44 3fg0 s ASP 269 N -3.14 5.87 0.09 0.00 -1.08 -1.26 -4.80 116.67 112.34 3fg0 s ASP 269 Ca 0.63 1.26 -0.28 0.00 -0.52 0.00 0.00 52.55 53.64 3fg0 s ASP 269 Cb -0.18 -2.53 -0.14 0.00 -1.46 0.00 0.00 42.92 38.61 3fg0 s ASP 269 CO 0.51 -1.73 1.66 0.15 0.52 0.00 0.00 175.17 176.28 3fg0 h PHE 270 N 12.95 -0.56 -0.88 -5.34 3.57 -1.92 -0.34 116.94 124.42 3fg0 h PHE 270 Ca -0.33 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.27 3fg0 h PHE 270 Cb 1.17 0.20 -0.08 0.00 2.79 0.00 0.00 35.95 40.03 3fg0 h PHE 270 CO 0.96 -0.33 0.51 0.93 -2.23 0.00 0.00 178.31 178.16 3fg0 h GLU 271 N -0.51 0.80 -0.30 1.11 5.08 -2.00 -1.00 114.58 117.77 3fg0 h GLU 271 Ca -0.03 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 3fg0 h GLU 271 Cb 0.44 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3fg0 h GLU 271 CO 0.01 0.53 0.14 1.25 -1.00 0.00 0.00 179.01 179.94 3fg0 h LEU 272 N 0.83 0.39 -0.85 1.33 5.85 -1.84 -1.46 115.31 119.56 3fg0 h LEU 272 Ca 0.43 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.00 3fg0 h LEU 272 Cb 0.44 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 3fg0 h LEU 272 CO -0.27 0.42 0.47 0.00 -0.34 0.00 0.00 178.44 178.73 3fg0 h ALA 273 N 0.99 1.09 -0.41 1.25 0.00 -0.36 0.54 119.26 122.35 3fg0 h ALA 273 Ca 0.10 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 273 Cb 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 3fg0 h ALA 273 CO -0.01 0.59 0.01 0.28 0.00 0.00 0.00 179.25 180.12 3fg0 h VAL 274 N 1.18 1.26 -0.56 0.00 2.07 -1.07 -0.48 116.25 118.65 3fg0 h VAL 274 Ca 0.30 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.80 3fg0 h VAL 274 Cb 0.02 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3fg0 h VAL 274 CO -0.05 0.34 0.24 -0.78 0.02 0.00 0.00 177.57 177.34 3fg0 h ASP 275 N 0.56 0.76 1.41 0.57 3.58 -0.82 -2.12 116.42 120.36 3fg0 h ASP 275 Ca 0.12 -0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.37 3fg0 h ASP 275 Cb 0.46 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 3fg0 h ASP 275 CO 0.02 0.71 -0.21 1.56 -2.88 0.00 0.00 179.24 178.44 3fg0 h GLN 276 N 0.76 0.00 -0.53 0.28 1.08 -0.85 -1.53 115.11 114.32 3fg0 h GLN 276 Ca 0.19 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.28 3fg0 h GLN 276 Cb 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 3fg0 h GLN 276 CO -0.02 0.21 -0.09 0.00 -0.95 0.00 0.00 178.83 177.98 3fg0 h ALA 277 N 1.79 0.73 -0.27 3.87 0.00 -0.70 0.17 119.26 124.85 3fg0 h ALA 277 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3fg0 h ALA 277 Cb 0.97 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3fg0 h ALA 277 CO 0.03 0.63 0.11 -0.07 0.00 0.00 0.00 179.25 179.94 3fg0 h LEU 278 N 0.87 0.37 -0.40 0.00 3.38 -1.18 -1.32 115.31 117.03 3fg0 h LEU 278 Ca 0.14 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3fg0 h LEU 278 Cb 0.65 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3fg0 h LEU 278 CO 0.05 0.43 0.13 0.78 0.09 0.00 0.00 178.44 179.92 3fg0 h ASN 279 N 0.29 0.58 -0.91 -0.43 2.35 -1.13 -1.21 115.58 115.12 3fg0 h ASN 279 Ca 0.09 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.64 3fg0 h ASN 279 Cb 0.17 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 3fg0 h ASN 279 CO -0.01 0.62 0.56 1.23 -1.65 0.00 0.00 177.43 178.19 3fg0 h GLY 280 N 0.50 1.31 1.53 2.83 0.00 -0.61 -2.91 103.07 105.73 3fg0 h GLY 280 Ca 0.13 -0.53 -0.25 0.00 0.00 0.00 0.00 47.33 46.68 3fg0 h GLY 280 CO -0.01 0.52 -1.33 -1.33 0.00 0.00 0.00 176.54 174.39 3fg0 h GLY 281 N 1.26 0.03 0.00 4.60 0.00 -0.90 0.34 103.07 108.39 3fg0 h GLY 281 Ca 0.33 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.59 3fg0 h GLY 281 CO -0.06 0.06 0.00 -1.72 0.00 0.00 0.00 176.54 174.81 3fg0 n TYR 282 N -3.24 0.00 -1.70 5.60 4.01 -0.49 -3.47 117.16 117.87 3fg0 n TYR 282 Ca -0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.23 3fg0 n TYR 282 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 40.01 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 -0.40 2.43 -3.16 -0.72 3.01 -1.10 -1.22 117.46 116.30 3fg0 n PHE 283 Ca 0.00 0.42 -0.22 0.00 1.01 0.00 0.00 57.45 58.67 3fg0 n PHE 283 Cb 0.02 -2.49 0.00 0.00 -0.01 0.00 0.00 39.48 37.01 3fg0 n PHE 283 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 3fg0 n HIS 284 N 1.41 -1.78 -2.60 1.38 -0.00 -1.26 -0.62 115.22 111.74 3fg0 n HIS 284 Ca 0.08 0.42 -0.19 0.00 0.46 0.00 0.00 57.72 58.49 3fg0 n HIS 284 Cb 0.35 -3.27 0.00 0.00 -0.12 0.00 0.00 29.99 26.95 3fg0 n HIS 284 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3fg0 n ALA 285 N -3.35 -0.77 -1.00 1.57 0.00 -0.36 -1.55 120.51 115.06 3fg0 n ALA 285 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3fg0 n ALA 285 Cb 0.57 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.06 0.39 2.48 0.00 0.00 0.20 -0.82 105.19 106.38 3fg0 n GLY 286 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.01 4.23 -4.39 1.61 6.02 -0.60 -3.54 117.38 118.70 3fg0 n GLN 287 Ca 0.00 -3.28 -0.21 0.00 -0.01 0.00 0.00 57.00 53.50 3fg0 n GLN 287 Cb 0.12 -2.54 -0.16 0.00 1.02 0.00 0.00 30.24 28.68 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 -1.39 0.81 0.34 5.09 1.01 -1.26 -4.83 120.40 120.16 3fg0 s VAL 288 Ca 0.55 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 62.28 3fg0 s VAL 288 Cb 0.22 -0.74 0.33 0.00 0.00 0.00 0.00 36.38 36.19 3fg0 s VAL 288 CO -0.12 0.26 1.81 0.00 0.00 0.00 0.00 175.10 177.06 3fg0 n SER 290 N -4.66 4.66 -4.63 0.00 3.41 -1.26 -2.99 113.62 108.16 3fg0 n SER 290 Ca 0.21 -2.40 -0.45 0.00 -0.26 0.00 0.00 58.87 55.98 3fg0 n SER 290 Cb 0.59 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.94 3fg0 n SER 290 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fg0 n ALA 291 N 1.19 0.24 -2.16 7.33 0.00 -0.32 -4.84 120.51 121.95 3fg0 n ALA 291 Ca 0.26 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.68 3fg0 n ALA 291 Cb 0.86 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 18.19 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 1.51 4.29 0.15 0.00 0.00 0.11 -3.95 105.19 107.29 3fg0 n GLY 292 Ca 0.10 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.43 3fg0 n GLY 292 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3fg0 h SER 293 N 6.15 0.00 -3.84 1.61 4.64 -1.80 -3.36 113.55 116.95 3fg0 h SER 293 Ca 0.47 -0.01 -0.68 0.00 -0.47 0.00 0.00 61.79 61.10 3fg0 h SER 293 Cb 0.68 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.41 3fg0 h SER 293 CO 1.69 0.00 -0.51 -0.60 -0.87 0.00 0.00 176.83 176.54 3fg0 s ARG 294 N -3.15 2.14 -0.05 4.77 3.52 -1.13 -1.02 118.95 124.02 3fg0 s ARG 294 Ca 0.09 -2.18 -0.22 0.00 -0.13 0.00 0.00 55.73 53.29 3fg0 s ARG 294 Cb 0.09 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.88 3fg0 s ARG 294 CO 0.63 -1.10 0.64 0.42 -0.81 0.00 0.00 175.30 175.09 3fg0 s ILE 295 N 0.52 5.02 -0.22 4.11 1.01 -0.09 -1.04 121.20 130.51 3fg0 s ILE 295 Ca 0.13 1.33 0.02 0.00 0.00 0.00 0.00 60.65 62.13 3fg0 s ILE 295 Cb -0.22 -3.98 0.04 0.00 0.01 0.00 0.00 42.46 38.31 3fg0 s ILE 295 CO -0.04 0.31 -0.15 -0.76 0.00 0.00 0.00 174.94 174.30 3fg0 s LEU 296 N 0.49 2.77 0.01 2.97 1.43 -0.18 -1.27 118.68 124.90 3fg0 s LEU 296 Ca 0.34 -1.00 0.07 0.00 -1.03 0.00 0.00 54.13 52.52 3fg0 s LEU 296 Cb -0.18 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.50 3fg0 s LEU 296 CO 0.17 -0.09 -0.22 0.54 0.23 0.00 0.00 176.35 176.97 3fg0 s VAL 297 N 1.21 1.79 0.28 -1.59 0.11 0.11 -0.36 120.40 121.95 3fg0 s VAL 297 Ca -0.01 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 57.66 3fg0 s VAL 297 Cb -0.16 -1.51 -0.10 0.00 -1.53 0.00 0.00 36.38 33.07 3fg0 s VAL 297 CO -0.09 0.40 1.42 -1.58 -3.33 0.00 0.00 175.10 171.92 3fg0 s GLN 298 N -0.81 4.26 0.35 1.54 0.74 -0.46 -1.51 119.66 123.76 3fg0 s GLN 298 Ca 0.09 2.32 0.12 0.00 0.05 0.00 0.00 55.36 57.94 3fg0 s GLN 298 Cb -0.09 -3.08 0.94 0.00 1.10 0.00 0.00 33.01 31.88 3fg0 s GLN 298 CO 0.00 -0.39 1.76 -0.91 -0.55 0.00 0.00 175.29 175.20 3fg0 h ASN 299 N 4.47 0.61 -0.04 6.67 -0.26 -0.99 -1.19 115.58 124.85 3fg0 h ASN 299 Ca -0.47 0.11 0.01 0.00 -0.56 0.00 0.00 56.30 55.39 3fg0 h ASN 299 Cb 1.22 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.49 3fg0 h ASN 299 CO 0.74 0.13 0.05 0.77 -1.06 0.00 0.00 177.43 178.06 3fg0 h SER 300 N 0.55 0.00 0.00 5.81 4.64 -1.89 -2.59 113.55 120.07 3fg0 h SER 300 Ca 0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.93 3fg0 h SER 300 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3fg0 h SER 300 CO -0.39 0.00 -0.05 2.30 -0.87 0.00 0.00 176.83 177.82 3fg0 n ILE 301 N -3.69 1.02 -0.05 0.95 -5.35 -0.50 -4.85 119.36 106.89 3fg0 n ILE 301 Ca -0.02 -1.14 -0.10 0.00 -0.27 0.00 0.00 62.75 61.22 3fg0 n ILE 301 Cb 0.14 0.35 -0.04 0.00 -1.74 0.00 0.00 39.64 38.35 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 0.29 -0.23 6.28 3.64 -1.01 0.12 116.57 125.66 3fg0 h LYS 302 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3fg0 h LYS 302 Cb 0.81 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.56 3fg0 h LYS 302 CO 0.00 0.26 0.10 -0.44 -2.27 0.00 0.00 179.45 177.10 3fg0 h ASP 303 N 0.24 0.30 -0.50 4.20 3.32 -1.89 0.54 116.42 122.64 3fg0 h ASP 303 Ca 0.07 -0.14 0.03 0.00 0.02 0.00 0.00 57.03 57.02 3fg0 h ASP 303 Cb 0.05 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 3fg0 h ASP 303 CO -0.01 0.36 0.27 0.50 -1.72 0.00 0.00 179.24 178.64 3fg0 h LYS 304 N 0.23 0.52 -0.03 3.56 3.64 -1.87 -2.15 116.57 120.46 3fg0 h LYS 304 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3fg0 h LYS 304 Cb 0.15 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 31.85 3fg0 h LYS 304 CO -0.01 0.34 0.01 0.35 -2.27 0.00 0.00 179.45 177.88 3fg0 h PHE 305 N 0.53 0.04 -0.76 1.91 3.57 -0.52 -2.33 116.94 119.38 3fg0 h PHE 305 Ca 0.21 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.76 3fg0 h PHE 305 Cb 0.08 -0.01 -0.06 0.00 2.79 0.00 0.00 35.95 38.76 3fg0 h PHE 305 CO -0.09 0.13 0.46 0.93 -2.23 0.00 0.00 178.31 177.51 3fg0 h GLU 306 N -0.07 0.82 -0.02 1.11 5.08 -0.69 0.05 114.58 120.85 3fg0 h GLU 306 Ca 0.01 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.19 3fg0 h GLU 306 Cb 0.11 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3fg0 h GLU 306 CO -0.00 0.54 -0.60 1.96 -1.00 0.00 0.00 179.01 179.91 3fg0 h GLN 307 N 0.84 0.08 -0.31 2.33 1.08 -1.37 -0.52 115.11 117.24 3fg0 h GLN 307 Ca 0.33 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.35 3fg0 h GLN 307 Cb 0.15 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 3fg0 h GLN 307 CO -0.17 0.66 -0.28 0.00 -0.95 0.00 0.00 178.83 178.09 3fg0 h ALA 308 N 1.33 0.45 -0.07 3.87 0.00 -0.89 -2.27 119.26 121.68 3fg0 h ALA 308 Ca -0.01 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3fg0 h ALA 308 Cb 1.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3fg0 h ALA 308 CO 0.08 0.46 0.02 1.25 0.00 0.00 0.00 179.25 181.07 3fg0 h LEU 309 N 0.49 0.11 -0.55 0.00 5.85 -0.86 -2.54 115.31 117.82 3fg0 h LEU 309 Ca 0.05 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3fg0 h LEU 309 Cb 0.85 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 3fg0 h LEU 309 CO 0.07 0.28 0.35 0.40 -0.34 0.00 0.00 178.44 179.20 3fg0 h ILE 310 N -0.07 1.15 -0.72 4.05 2.04 -1.15 -0.36 117.51 122.45 3fg0 h ILE 310 Ca 0.02 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3fg0 h ILE 310 Cb 0.21 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3fg0 h ILE 310 CO -0.00 0.15 0.48 0.44 0.00 0.00 0.00 178.15 179.22 3fg0 h ASP 311 N 0.74 0.80 0.01 1.72 3.32 -1.30 -2.02 116.42 119.69 3fg0 h ASP 311 Ca 0.20 -0.02 -0.24 0.00 0.02 0.00 0.00 57.03 57.00 3fg0 h ASP 311 Cb -0.06 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.31 3fg0 h ASP 311 CO -0.04 0.57 -0.89 0.03 -1.72 0.00 0.00 179.24 177.19 3fg0 h ARG 312 N 0.94 0.67 -0.45 3.56 2.47 -0.99 -3.31 114.38 117.28 3fg0 h ARG 312 Ca 0.27 -0.63 -0.05 0.00 -1.26 0.00 0.00 59.98 58.31 3fg0 h ARG 312 Cb -0.06 0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3fg0 h ARG 312 CO -0.06 1.23 0.07 0.28 0.56 0.00 0.00 179.97 182.05 3fg0 h VAL 313 N 0.42 1.21 -0.04 2.04 2.07 -0.51 -1.73 116.25 119.71 3fg0 h VAL 313 Ca -0.08 -0.79 0.01 0.00 0.82 0.00 0.00 66.70 66.66 3fg0 h VAL 313 Cb 1.52 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 3fg0 h VAL 313 CO 0.17 0.28 0.06 0.11 0.02 0.00 0.00 177.57 178.22 3fg0 h LYS 314 N 0.66 0.00 -0.11 1.57 1.57 -1.47 -2.79 116.57 116.00 3fg0 h LYS 314 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3fg0 h LYS 314 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3fg0 h LYS 314 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51 3fg0 n LYS 315 N -3.57 1.87 -1.75 3.15 4.76 -0.66 -4.99 118.16 116.98 3fg0 n LYS 315 Ca -0.02 -1.78 -0.42 0.00 -2.87 0.00 0.00 58.31 53.22 3fg0 n LYS 315 Cb 0.14 -1.39 -0.03 0.00 -1.84 0.00 0.00 35.03 31.92 3fg0 n LYS 315 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fg0 s ILE 316 N -1.55 2.05 -0.36 -0.18 1.01 -1.06 -4.93 121.20 116.18 3fg0 s ILE 316 Ca 0.25 0.04 -0.20 0.00 0.00 0.00 0.00 60.65 60.75 3fg0 s ILE 316 Cb 0.17 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.62 3fg0 s ILE 316 CO 0.25 0.00 0.59 -0.75 0.00 0.00 0.00 174.94 175.04 3fg0 s LYS 317 N 0.64 3.60 0.13 2.79 2.20 -1.26 -5.00 119.74 122.84 3fg0 s LYS 317 Ca 0.71 -0.08 -0.08 0.00 -0.36 0.00 0.00 55.97 56.16 3fg0 s LYS 317 Cb -0.49 -3.83 -0.06 0.00 -1.51 0.00 0.00 37.83 31.94 3fg0 s LYS 317 CO 0.37 -0.74 0.42 -0.51 -0.36 0.00 0.00 175.35 174.53 3fg0 s LEU 318 N 2.61 4.29 0.00 5.43 1.02 -1.26 -0.47 118.68 130.30 3fg0 s LEU 318 Ca 0.22 0.75 0.00 0.00 0.02 0.00 0.00 54.13 55.12 3fg0 s LEU 318 Cb -0.15 -3.21 0.00 0.00 0.02 0.00 0.00 46.19 42.85 3fg0 s LEU 318 CO 0.15 0.09 0.00 0.61 0.02 0.00 0.00 176.35 177.22 3fg0 n GLY 319 N 0.46 -0.91 3.71 -3.19 0.00 -0.97 -4.89 105.19 99.40 3fg0 n GLY 319 Ca -0.05 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.60 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 6.55 0.62 1.61 3.84 -1.26 -4.32 114.94 117.97 3fg0 s ASN 320 Ca 0.00 2.62 0.35 0.00 0.21 0.00 0.00 52.86 56.04 3fg0 s ASN 320 Cb 0.00 -2.58 2.04 0.00 -0.55 0.00 0.00 41.25 40.16 3fg0 s ASN 320 CO 0.00 -0.88 2.29 1.23 -2.79 0.00 0.00 177.10 176.94 3fg0 h GLY 321 N 7.62 0.00 1.87 1.21 0.00 -1.82 0.09 103.07 112.04 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 0.93 0.00 -0.07 0.69 0.00 0.00 0.00 176.54 178.09 3fg0 n PHE 322 N -3.54 0.23 -3.12 5.60 3.72 -1.26 -1.39 117.46 117.70 3fg0 n PHE 322 Ca -0.03 0.07 -0.40 0.00 -0.05 0.00 0.00 57.45 57.04 3fg0 n PHE 322 Cb 0.10 -0.58 -0.06 0.00 -0.94 0.00 0.00 39.48 38.00 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 -3.40 6.71 0.53 4.37 -1.08 0.02 -4.94 116.67 118.88 3fg0 s ASP 323 Ca 0.13 0.86 0.22 0.00 -0.52 0.00 0.00 52.55 53.24 3fg0 s ASP 323 Cb 0.17 -2.35 1.38 0.00 -1.46 0.00 0.00 42.92 40.66 3fg0 s ASP 323 CO 0.57 -0.26 2.07 0.00 0.52 0.00 0.00 175.17 178.07 3fg0 h ALA 324 N 7.41 2.22 0.00 3.66 0.00 -1.85 -1.54 119.26 129.17 3fg0 h ALA 324 Ca -0.32 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3fg0 h ALA 324 Cb 1.15 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3fg0 h ALA 324 CO 0.77 -0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.41 3fg0 n ASP 325 N -4.37 0.60 -4.73 0.00 8.00 -1.26 -4.84 116.55 109.96 3fg0 n ASP 325 Ca 0.04 0.57 -0.42 0.00 0.71 0.00 0.00 54.79 55.69 3fg0 n ASP 325 Cb 0.37 -0.73 -0.03 0.00 -0.02 0.00 0.00 41.12 40.72 3fg0 n ASP 325 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3fg0 s THR 326 N -3.10 2.78 -0.14 -3.53 2.01 -0.58 -4.86 115.64 108.22 3fg0 s THR 326 Ca 0.10 0.58 0.15 0.00 0.31 0.00 0.00 61.69 62.84 3fg0 s THR 326 Cb 0.13 -3.37 -0.21 0.00 0.01 0.00 0.00 72.50 69.05 3fg0 s THR 326 CO 0.55 0.06 0.12 -0.62 -0.69 0.00 0.00 174.62 174.03 3fg0 n GLU 327 N 3.46 1.20 -3.71 4.92 1.02 0.38 -4.95 120.64 122.96 3fg0 n GLU 327 Ca 0.11 -0.04 -0.16 0.00 -0.02 0.00 0.00 57.16 57.06 3fg0 n GLU 327 Cb 0.40 -1.42 -0.15 0.00 -0.02 0.00 0.00 31.44 30.25 3fg0 n GLU 327 CO 0.00 0.00 0.00 1.41 1.18 0.00 0.00 177.13 179.72 3fg0 s MET 328 N -2.54 0.04 0.26 3.49 1.75 -0.81 -4.84 119.30 116.66 3fg0 s MET 328 Ca -0.08 0.45 -0.04 0.00 -1.25 0.00 0.00 55.69 54.78 3fg0 s MET 328 Cb 0.06 -0.25 0.06 0.00 2.84 0.00 0.00 34.83 37.54 3fg0 s MET 328 CO 0.68 -0.24 0.36 0.41 -0.65 0.00 0.00 175.02 175.57 3fg0 n GLY 329 N 4.81 -1.05 3.84 2.11 0.00 -1.26 -2.29 105.19 111.35 3fg0 n GLY 329 Ca -0.15 -1.71 -0.29 0.00 0.00 0.00 0.00 46.02 43.88 3fg0 n GLY 329 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fg0 s PRO 330 N -3.73 1.51 0.78 1.61 0.04 -1.26 -4.72 135.00 129.23 3fg0 s PRO 330 Ca 0.20 0.20 -0.09 0.00 0.04 0.00 0.00 61.00 61.36 3fg0 s PRO 330 Cb -0.01 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.75 3fg0 s PRO 330 CO 0.14 -1.93 1.11 0.14 0.04 0.00 0.00 177.00 176.50 3fg0 s VAL 331 N -3.42 2.15 0.12 -0.36 -7.23 0.10 -4.79 120.40 106.98 3fg0 s VAL 331 Ca 0.63 -0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.65 3fg0 s VAL 331 Cb -0.13 -2.93 -0.21 0.00 0.56 0.00 0.00 36.38 33.68 3fg0 s VAL 331 CO 0.51 0.00 1.29 -0.29 -0.31 0.00 0.00 175.10 176.30 3fg0 h ILE 332 N -0.90 1.71 -3.12 -0.62 6.09 -1.85 -3.43 117.51 115.39 3fg0 h ILE 332 Ca -0.43 -3.39 0.00 0.00 -1.37 0.00 0.00 64.86 59.67 3fg0 h ILE 332 Cb 1.29 2.83 -0.09 0.00 0.47 0.00 0.00 36.82 41.32 3fg0 h ILE 332 CO 0.52 0.97 0.14 -0.94 -3.07 0.00 0.00 178.15 175.77 3fg0 s SER 333 N -6.72 -0.37 0.22 2.19 1.04 -1.26 -4.70 113.70 104.09 3fg0 s SER 333 Ca 0.01 -0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.02 3fg0 s SER 333 Cb 0.10 0.62 0.18 0.00 0.10 0.00 0.00 66.02 67.02 3fg0 s SER 333 CO 0.82 -1.10 1.78 0.71 0.98 0.00 0.00 173.24 176.43 3fg0 h THR 334 N 2.08 1.26 -0.73 2.02 1.35 -1.98 -1.14 112.91 115.77 3fg0 h THR 334 Ca -0.28 -0.83 0.05 0.00 -0.55 0.00 0.00 66.41 64.80 3fg0 h THR 334 Cb 1.28 0.33 -0.05 0.00 -1.73 0.00 0.00 68.15 67.98 3fg0 h THR 334 CO 0.34 0.34 0.44 -0.08 -0.25 0.00 0.00 175.52 176.30 3fg0 h GLU 335 N 1.14 0.80 -0.18 4.72 4.81 -1.99 0.08 114.58 123.97 3fg0 h GLU 335 Ca 0.26 -0.05 -0.21 0.00 -0.13 0.00 0.00 59.36 59.23 3fg0 h GLU 335 Cb 0.23 -0.18 0.01 0.00 0.63 0.00 0.00 28.75 29.43 3fg0 h GLU 335 CO -0.02 0.53 -0.73 1.25 -0.73 0.00 0.00 179.01 179.31 3fg0 h HIS 336 N 0.82 1.05 -0.96 0.92 2.76 -1.86 -1.87 115.15 116.01 3fg0 h HIS 336 Ca 0.31 -0.44 0.00 0.00 -2.20 0.00 0.00 60.37 58.04 3fg0 h HIS 336 Cb 0.12 -0.17 -0.05 0.00 1.55 0.00 0.00 27.41 28.86 3fg0 h HIS 336 CO -0.05 1.27 0.60 -0.09 -1.30 0.00 0.00 177.93 178.37 3fg0 h ARG 337 N 0.56 1.28 -0.73 5.26 2.43 -0.99 -1.00 114.38 121.19 3fg0 h ARG 337 Ca -0.04 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 3fg0 h ARG 337 Cb 1.35 -0.28 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 3fg0 h ARG 337 CO 0.15 0.88 0.34 -0.91 -1.51 0.00 0.00 179.97 178.92 3fg0 h ASN 338 N 1.31 0.97 -0.37 -3.80 2.35 -0.85 0.09 115.58 115.28 3fg0 h ASN 338 Ca 0.35 -0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.97 3fg0 h ASN 338 Cb -0.10 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.00 3fg0 h ASN 338 CO -0.07 0.84 0.23 0.50 -1.65 0.00 0.00 177.43 177.28 3fg0 h LYS 339 N 1.03 0.45 -0.36 0.81 3.64 -0.77 -0.67 116.57 120.69 3fg0 h LYS 339 Ca 0.25 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.60 3fg0 h LYS 339 Cb 0.13 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 3fg0 h LYS 339 CO -0.03 0.30 0.19 0.82 -2.27 0.00 0.00 179.45 178.46 3fg0 h ILE 340 N 0.46 1.15 -0.54 2.00 2.04 -0.71 -2.49 117.51 119.42 3fg0 h ILE 340 Ca 0.14 -0.39 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3fg0 h ILE 340 Cb -0.02 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 3fg0 h ILE 340 CO -0.06 0.15 0.31 -0.33 0.00 0.00 0.00 178.15 178.23 3fg0 h GLU 341 N 0.46 0.60 -0.69 2.37 5.08 -0.82 -2.32 114.58 119.26 3fg0 h GLU 341 Ca 0.13 -0.04 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 3fg0 h GLU 341 Cb 0.07 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 3fg0 h GLU 341 CO -0.02 0.40 0.46 0.66 -1.00 0.00 0.00 179.01 179.50 3fg0 h SER 342 N 0.61 0.53 0.93 1.42 4.64 -0.72 -2.16 113.55 118.80 3fg0 h SER 342 Ca 0.23 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.54 3fg0 h SER 342 Cb 0.06 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3fg0 h SER 342 CO -0.12 0.32 -0.07 1.88 -0.87 0.00 0.00 176.83 177.97 3fg0 h TYR 343 N 0.59 0.00 -0.46 4.77 0.05 -0.99 -2.23 116.97 118.69 3fg0 h TYR 343 Ca 0.31 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 59.03 3fg0 h TYR 343 Cb 0.45 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.18 3fg0 h TYR 343 CO -0.00 0.07 0.03 0.52 -1.05 0.00 0.00 178.16 177.73 3fg0 h MET 344 N 0.00 0.79 -0.68 4.88 2.86 -1.38 -0.52 114.93 120.87 3fg0 h MET 344 Ca -0.00 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.33 3fg0 h MET 344 Cb 0.55 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 3fg0 h MET 344 CO 0.01 0.83 0.13 -0.44 1.06 0.00 0.00 176.91 178.50 3fg0 h ASP 345 N 0.65 1.07 -0.28 1.22 3.32 -1.49 -1.83 116.42 119.08 3fg0 h ASP 345 Ca 0.13 -0.25 0.02 0.00 0.02 0.00 0.00 57.03 56.95 3fg0 h ASP 345 Cb 0.45 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3fg0 h ASP 345 CO 0.02 1.05 0.15 0.58 -1.72 0.00 0.00 179.24 179.31 3fg0 h VAL 346 N 1.05 1.00 -0.15 -1.35 2.07 -1.27 -0.90 116.25 116.71 3fg0 h VAL 346 Ca 0.21 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 3fg0 h VAL 346 Cb 0.42 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3fg0 h VAL 346 CO 0.01 0.06 0.07 0.00 0.02 0.00 0.00 177.57 177.72 3fg0 h ALA 347 N 1.14 0.19 -0.82 1.67 0.00 -0.92 -2.01 119.26 118.50 3fg0 h ALA 347 Ca 0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 347 Cb 0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3fg0 h ALA 347 CO -0.07 -0.24 0.36 0.87 0.00 0.00 0.00 179.25 180.17 3fg0 h LYS 348 N 0.10 1.20 0.00 0.00 1.57 -1.24 -1.49 116.57 116.71 3fg0 h LYS 348 Ca 0.05 -0.20 -0.07 0.00 -1.87 0.00 0.00 60.65 58.57 3fg0 h LYS 348 Cb 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3fg0 h LYS 348 CO -0.01 0.94 -0.31 0.00 -0.57 0.00 0.00 179.45 179.51 3fg0 h ALA 349 N 1.21 1.39 -0.01 3.86 0.00 -0.89 -2.08 119.26 122.74 3fg0 h ALA 349 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3fg0 h ALA 349 Cb 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3fg0 h ALA 349 CO -0.03 0.39 -0.11 0.39 0.00 0.00 0.00 179.25 179.89 3fg0 n GLU 350 N -4.02 0.91 0.00 0.00 1.02 -0.78 -4.93 120.64 112.83 3fg0 n GLU 350 Ca -0.02 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3fg0 n GLU 350 Cb 0.37 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 3fg0 n GLU 350 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fg0 n GLY 351 N 1.25 0.77 3.90 0.62 0.00 -0.78 -5.05 105.19 105.91 3fg0 n GLY 351 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 3fg0 n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fg0 s ALA 352 N -2.00 2.72 -0.09 4.61 0.00 -0.59 -4.89 121.76 121.53 3fg0 s ALA 352 Ca 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 51.96 51.34 3fg0 s ALA 352 Cb 0.00 -2.93 -0.01 0.00 0.00 0.00 0.00 23.12 20.18 3fg0 s ALA 352 CO 0.00 -1.59 -0.20 0.99 0.00 0.00 0.00 175.76 174.96 3fg0 s THR 353 N -3.53 2.50 -0.68 0.00 2.01 -0.21 -4.37 115.64 111.36 3fg0 s THR 353 Ca 0.61 -0.88 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 3fg0 s THR 353 Cb -0.11 -1.98 0.07 0.00 0.01 0.00 0.00 72.50 70.49 3fg0 s THR 353 CO 0.49 0.56 1.01 -0.63 -0.69 0.00 0.00 174.62 175.35 3fg0 s ILE 354 N 0.06 4.28 0.22 1.82 -1.09 -1.26 -0.75 121.20 124.47 3fg0 s ILE 354 Ca -0.08 -0.35 0.07 0.00 -2.23 0.00 0.00 60.65 58.06 3fg0 s ILE 354 Cb -0.15 -4.72 -0.09 0.00 -1.58 0.00 0.00 42.46 35.92 3fg0 s ILE 354 CO 0.05 -1.51 1.49 0.00 -1.23 0.00 0.00 174.94 173.75 3fg0 h ALA 355 N 9.58 0.74 -1.83 9.38 0.00 -1.03 -3.46 119.26 132.64 3fg0 h ALA 355 Ca -0.26 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 53.98 3fg0 h ALA 355 Cb 1.07 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.54 3fg0 h ALA 355 CO 1.19 0.89 0.31 0.54 0.00 0.00 0.00 179.25 182.18 3fg0 s VAL 356 N -3.36 0.00 0.00 0.00 0.11 -1.20 -4.97 120.40 110.98 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 0.79 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 173.17 3fg0 n GLY 357 N 1.28 0.45 1.85 6.54 0.00 -1.25 -2.25 105.19 111.81 3fg0 n GLY 357 Ca -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 44.98 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 0.47 3.59 -0.02 0.00 -1.26 -4.99 105.19 102.97 3fg0 n GLY 358 Ca 0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.26 3fg0 n GLY 358 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fg0 s LYS 359 N -1.22 1.63 0.35 1.61 -2.85 -1.26 -4.99 119.74 113.01 3fg0 s LYS 359 Ca 0.00 -1.33 -0.25 0.00 -1.00 0.00 0.00 55.97 53.39 3fg0 s LYS 359 Cb 0.00 0.47 -0.09 0.00 -2.06 0.00 0.00 37.83 36.15 3fg0 s LYS 359 CO 0.00 -0.68 1.01 1.03 0.10 0.00 0.00 175.35 176.81 3fg0 s ARG 360 N -3.81 4.39 0.55 1.78 0.52 -1.26 -1.20 118.95 119.92 3fg0 s ARG 360 Ca 0.23 1.47 -0.17 0.00 -0.52 0.00 0.00 55.73 56.74 3fg0 s ARG 360 Cb -0.01 -2.72 -0.06 0.00 0.52 0.00 0.00 34.95 32.68 3fg0 s ARG 360 CO 0.11 0.07 1.02 -1.25 0.02 0.00 0.00 175.30 175.27 3fg0 s PRO 361 N -2.20 3.64 0.15 3.54 0.04 -1.26 -4.86 135.00 134.05 3fg0 s PRO 361 Ca 0.53 1.11 0.22 0.00 0.04 0.00 0.00 61.00 62.90 3fg0 s PRO 361 Cb -0.22 -2.08 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 3fg0 s PRO 361 CO 0.27 -0.54 0.92 -0.25 0.04 0.00 0.00 177.00 177.45 3fg0 n ASP 362 N -1.72 0.72 -4.60 6.66 8.00 -1.26 -4.76 116.55 119.59 3fg0 n ASP 362 Ca 0.08 0.28 -0.47 0.00 0.71 0.00 0.00 54.79 55.39 3fg0 n ASP 362 Cb 0.53 0.65 -0.03 0.00 -0.02 0.00 0.00 41.12 42.25 3fg0 n ASP 362 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3fg0 n ARG 363 N -2.64 1.37 -0.25 -1.24 0.63 -1.26 -4.80 116.66 108.47 3fg0 n ARG 363 Ca -0.02 0.49 0.02 0.00 -0.92 0.00 0.00 57.85 57.42 3fg0 n ARG 363 Cb 0.59 -1.97 0.15 0.00 0.45 0.00 0.00 32.46 31.68 3fg0 n ARG 363 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3fg0 h ASP 364 N 3.03 0.43 0.54 6.15 3.58 -2.01 -0.93 116.42 127.21 3fg0 h ASP 364 Ca -0.42 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.10 3fg0 h ASP 364 Cb 1.33 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.38 3fg0 h ASP 364 CO 0.68 0.23 0.00 -0.90 -2.88 0.00 0.00 179.24 176.37 3fg0 n ASP 365 N -4.89 0.17 -0.47 2.28 5.75 -1.26 -2.25 116.55 115.88 3fg0 n ASP 365 Ca 0.12 0.54 0.07 0.00 -0.01 0.00 0.00 54.79 55.51 3fg0 n ASP 365 Cb 0.30 -0.58 0.03 0.00 -1.03 0.00 0.00 41.12 39.84 3fg0 n ASP 365 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3fg0 n LEU 366 N -1.69 1.89 0.16 -2.12 4.77 -0.38 -4.72 117.00 114.91 3fg0 n LEU 366 Ca 0.03 -0.89 0.06 0.00 -0.03 0.00 0.00 56.01 55.17 3fg0 n LEU 366 Cb 0.18 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.80 3fg0 n LEU 366 CO 0.15 0.35 1.06 0.07 -1.33 0.00 0.00 177.39 177.69 3fg0 h LYS 367 N 2.29 0.20 -0.00 3.23 2.10 -1.15 -2.45 116.57 120.78 3fg0 h LYS 367 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3fg0 h LYS 367 Cb 0.55 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.84 3fg0 h LYS 367 CO 0.00 0.18 -0.45 -0.25 -2.00 0.00 0.00 179.45 176.93 3fg0 n ASP 368 N -4.47 0.74 -5.00 7.07 8.00 -1.26 -4.94 116.55 116.69 3fg0 n ASP 368 Ca -0.01 -0.54 -0.18 0.00 0.71 0.00 0.00 54.79 54.78 3fg0 n ASP 368 Cb 0.12 0.26 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 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 -2.82 1.79 -1.38 0.44 0.00 -0.92 -4.08 107.32 100.35 3fg0 s GLY 369 Ca 0.15 -1.57 -0.09 0.00 0.00 0.00 0.00 44.72 43.21 3fg0 s GLY 369 CO 0.65 -1.44 2.25 1.04 0.00 0.00 0.00 173.10 175.60 3fg0 n LEU 370 N -1.75 7.44 -4.93 0.66 4.77 -0.60 -4.97 117.00 117.63 3fg0 n LEU 370 Ca 0.04 -4.60 -0.29 0.00 -0.03 0.00 0.00 56.01 51.14 3fg0 n LEU 370 Cb 0.59 -1.48 -0.04 0.00 -2.33 0.00 0.00 43.42 40.16 3fg0 n LEU 370 CO 0.40 1.65 -0.08 -0.36 -1.33 0.00 0.00 177.39 177.68 3fg0 s PHE 371 N 0.63 3.50 -0.07 -1.77 0.40 -1.26 0.02 117.98 119.44 3fg0 s PHE 371 Ca 0.50 0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 57.05 3fg0 s PHE 371 Cb 0.14 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.92 3fg0 s PHE 371 CO -0.05 0.51 0.16 0.12 0.70 0.00 0.00 175.22 176.66 3fg0 s PHE 372 N -1.67 -0.18 0.35 0.36 5.36 -1.26 -4.42 117.98 116.51 3fg0 s PHE 372 Ca 0.36 0.49 -0.28 0.00 -0.96 0.00 0.00 56.93 56.54 3fg0 s PHE 372 Cb -0.12 -0.01 -0.10 0.00 -0.34 0.00 0.00 43.02 42.45 3fg0 s PHE 372 CO 0.28 -0.14 1.26 -1.21 -1.46 0.00 0.00 175.22 173.95 3fg0 s GLU 373 N 0.76 4.29 0.30 10.12 2.02 -0.34 -4.90 118.70 130.96 3fg0 s GLU 373 Ca -0.06 2.10 -0.30 0.00 0.02 0.00 0.00 54.97 56.74 3fg0 s GLU 373 Cb -0.07 -2.98 -0.12 0.00 0.10 0.00 0.00 34.13 31.06 3fg0 s GLU 373 CO -0.04 -0.20 1.54 -0.35 0.02 0.00 0.00 175.26 176.23 3fg0 n PRO 374 N 0.65 2.59 -4.49 0.39 -0.04 -1.26 -4.16 135.00 128.66 3fg0 n PRO 374 Ca 0.01 0.92 -0.21 0.00 -0.04 0.00 0.00 63.50 64.18 3fg0 n PRO 374 Cb 0.43 -2.66 -0.14 0.00 -0.04 0.00 0.00 33.50 31.08 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 -0.25 1.04 -0.13 0.52 2.01 0.18 -3.92 115.64 115.08 3fg0 s THR 375 Ca 0.62 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.92 3fg0 s THR 375 Cb -0.52 -0.90 0.02 0.00 0.01 0.00 0.00 72.50 71.11 3fg0 s THR 375 CO 0.52 0.18 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.77 3fg0 s VAL 376 N -0.51 1.66 -0.21 3.82 1.01 -0.95 -2.03 120.40 123.19 3fg0 s VAL 376 Ca 0.04 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.23 3fg0 s VAL 376 Cb -0.06 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 3fg0 s VAL 376 CO 0.00 0.47 0.02 -0.63 0.00 0.00 0.00 175.10 174.97 3fg0 s ILE 377 N 1.06 4.12 0.53 2.22 1.01 0.09 -0.31 121.20 129.91 3fg0 s ILE 377 Ca -0.04 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.38 3fg0 s ILE 377 Cb -0.15 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.45 3fg0 s ILE 377 CO -0.04 0.41 0.15 0.42 0.00 0.00 0.00 174.94 175.88 3fg0 s THR 378 N 1.12 1.31 -1.36 2.92 -4.23 0.07 -1.59 115.64 113.89 3fg0 s THR 378 Ca 0.03 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.72 3fg0 s THR 378 Cb -0.14 -2.12 0.01 0.00 1.34 0.00 0.00 72.50 71.58 3fg0 s THR 378 CO 0.02 0.00 0.61 0.59 -0.54 0.00 0.00 174.62 175.30 3fg0 n ASN 379 N -1.46 -0.99 -4.59 3.99 3.02 -1.26 -1.04 115.26 112.93 3fg0 n ASN 379 Ca -0.13 -0.89 -0.28 0.00 -0.03 0.00 0.00 54.58 53.25 3fg0 n ASN 379 Cb 0.66 -3.67 -0.10 0.00 -0.61 0.00 0.00 39.78 36.06 3fg0 n ASN 379 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fg0 s ASP 381 N -3.70 0.02 0.63 0.00 1.47 -1.26 -4.83 116.67 108.99 3fg0 s ASP 381 Ca 0.27 -0.95 0.42 0.00 1.18 0.00 0.00 52.55 53.47 3fg0 s ASP 381 Cb 0.07 0.47 2.27 0.00 -0.34 0.00 0.00 42.92 45.39 3fg0 s ASP 381 CO 0.14 -0.95 2.28 0.00 0.68 0.00 0.00 175.17 177.32 3fg0 h THR 382 N 2.48 0.00 0.00 2.11 1.03 -1.99 -1.70 112.91 114.84 3fg0 h THR 382 Ca -0.31 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.08 3fg0 h THR 382 Cb 1.24 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 3fg0 h THR 382 CO 0.46 0.00 0.00 0.77 -0.01 0.00 0.00 175.52 176.74 3fg0 h SER 383 N 0.00 0.00 -3.94 0.00 4.64 -1.99 -3.43 113.55 108.83 3fg0 h SER 383 Ca 0.00 0.00 -0.46 0.00 -0.47 0.00 0.00 61.79 60.86 3fg0 h SER 383 Cb 0.02 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3fg0 h SER 383 CO 0.00 0.00 0.36 -0.04 -0.87 0.00 0.00 176.83 176.28 3fg0 s MET 384 N -3.19 4.41 0.30 4.77 -1.94 -0.64 -4.96 119.30 118.05 3fg0 s MET 384 Ca 0.08 1.32 0.00 0.00 -1.71 0.00 0.00 55.69 55.38 3fg0 s MET 384 Cb 0.11 -2.60 0.45 0.00 2.01 0.00 0.00 34.83 34.80 3fg0 s MET 384 CO 0.55 0.12 1.85 0.00 -0.01 0.00 0.00 175.02 177.53 3fg0 h ARG 385 N 2.74 0.77 -0.38 2.03 2.47 -1.89 -1.73 114.38 118.39 3fg0 h ARG 385 Ca -0.48 -0.15 0.01 0.00 -1.26 0.00 0.00 59.98 58.11 3fg0 h ARG 385 Cb 1.19 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 3fg0 h ARG 385 CO 0.63 0.70 0.25 0.97 0.56 0.00 0.00 179.97 183.08 3fg0 h ILE 386 N 0.75 1.07 0.20 2.04 6.09 -1.90 -0.84 117.51 124.91 3fg0 h ILE 386 Ca 0.17 -0.16 -0.32 0.00 -1.37 0.00 0.00 64.86 63.18 3fg0 h ILE 386 Cb 0.27 0.56 0.02 0.00 0.47 0.00 0.00 36.82 38.14 3fg0 h ILE 386 CO -0.00 0.09 -1.46 0.58 -3.07 0.00 0.00 178.15 174.28 3fg0 h VAL 387 N 0.47 1.28 0.00 2.19 2.07 -1.71 -3.38 116.25 117.17 3fg0 h VAL 387 Ca 0.15 -2.78 -0.19 0.00 0.82 0.00 0.00 66.70 64.70 3fg0 h VAL 387 Cb 0.01 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 3fg0 h VAL 387 CO -0.03 0.84 -1.05 1.56 0.02 0.00 0.00 177.57 178.91 3fg0 h GLN 388 N 0.11 0.00 -5.97 1.57 1.08 -0.98 -3.47 115.11 107.46 3fg0 h GLN 388 Ca -0.24 0.00 -0.61 0.00 -1.45 0.00 0.00 58.65 56.35 3fg0 h GLN 388 Cb 2.09 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 29.48 3fg0 h GLN 388 CO 0.23 0.64 -0.40 -1.21 -0.95 0.00 0.00 178.83 177.15 3fg0 s GLU 389 N -2.80 3.55 -0.39 1.46 2.02 -0.35 -4.78 118.70 117.41 3fg0 s GLU 389 Ca 0.00 -0.17 -0.29 0.00 0.02 0.00 0.00 54.97 54.54 3fg0 s GLU 389 Cb 0.09 -3.01 0.02 0.00 0.10 0.00 0.00 34.13 31.32 3fg0 s GLU 389 CO 0.80 0.60 1.18 -2.00 0.02 0.00 0.00 175.26 175.86 3fg0 s GLU 390 N -2.15 3.85 -0.02 1.61 2.12 -1.26 -4.88 118.70 117.96 3fg0 s GLU 390 Ca 0.32 0.89 -0.02 0.00 0.36 0.00 0.00 54.97 56.52 3fg0 s GLU 390 Cb -0.13 -3.86 -0.27 0.00 0.26 0.00 0.00 34.13 30.13 3fg0 s GLU 390 CO 0.21 -1.21 0.78 0.28 -0.54 0.00 0.00 175.26 174.78 3fg0 h VAL 391 N 6.06 1.06 -5.11 3.70 2.07 -1.90 -3.48 116.25 118.64 3fg0 h VAL 391 Ca -0.23 -2.73 -0.37 0.00 0.82 0.00 0.00 66.70 64.19 3fg0 h VAL 391 Cb 1.07 2.70 0.11 0.00 -1.52 0.00 0.00 31.29 33.65 3fg0 h VAL 391 CO 1.08 0.80 -0.61 0.33 0.02 0.00 0.00 177.57 179.19 3fg0 n PHE 392 N -3.42 -2.44 -4.31 1.57 7.35 -1.26 -4.76 117.46 110.19 3fg0 n PHE 392 Ca -0.18 0.82 -0.18 0.00 -0.76 0.00 0.00 57.45 57.14 3fg0 n PHE 392 Cb 1.05 -4.58 -0.06 0.00 0.35 0.00 0.00 39.48 36.23 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 -1.78 3.18 2.58 7.13 0.00 -1.23 -4.05 105.19 111.01 3fg0 n GLY 393 Ca -0.02 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.63 3.14 -3.74 1.61 -0.04 0.00 -4.11 135.00 131.23 3fg0 n PRO 394 Ca 0.03 -2.44 -0.14 0.00 -0.04 0.00 0.00 63.50 60.91 3fg0 n PRO 394 Cb 0.52 -3.10 -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 2.85 -0.07 0.10 0.52 1.01 -1.26 -0.65 120.40 122.90 3fg0 s VAL 395 Ca 0.55 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.82 3fg0 s VAL 395 Cb 0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.28 3fg0 s VAL 395 CO -0.08 0.08 -0.20 0.68 0.00 0.00 0.00 175.10 175.59 3fg0 s VAL 396 N 1.25 1.64 0.14 2.92 -7.23 -0.86 -4.70 120.40 113.57 3fg0 s VAL 396 Ca -0.08 -1.51 0.06 0.00 -1.81 0.00 0.00 61.98 58.64 3fg0 s VAL 396 Cb -0.12 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.28 3fg0 s VAL 396 CO -0.05 -0.07 0.05 0.42 -0.31 0.00 0.00 175.10 175.13 3fg0 s THR 397 N -1.17 4.09 -0.11 5.32 -4.23 -0.19 -0.73 115.64 118.63 3fg0 s THR 397 Ca 0.05 -1.16 0.02 0.00 -1.18 0.00 0.00 61.69 59.42 3fg0 s THR 397 Cb -0.10 -3.04 0.01 0.00 1.34 0.00 0.00 72.50 70.72 3fg0 s THR 397 CO 0.04 -0.04 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.24 3fg0 s VAL 398 N -1.61 1.54 0.10 2.29 1.01 -0.62 -0.92 120.40 122.20 3fg0 s VAL 398 Ca 0.28 -0.67 0.08 0.00 0.00 0.00 0.00 61.98 61.68 3fg0 s VAL 398 Cb -0.10 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 3fg0 s VAL 398 CO 0.20 0.45 -0.21 -1.61 0.00 0.00 0.00 175.10 173.93 3fg0 s GLU 399 N 0.98 1.12 0.13 2.72 2.02 -0.40 -4.27 118.70 121.01 3fg0 s GLU 399 Ca -0.06 -1.15 0.02 0.00 0.02 0.00 0.00 54.97 53.80 3fg0 s GLU 399 Cb -0.15 -1.38 -0.04 0.00 0.10 0.00 0.00 34.13 32.67 3fg0 s GLU 399 CO -0.02 0.32 0.24 0.20 0.02 0.00 0.00 175.26 176.03 3fg0 s GLY 400 N -1.88 1.80 0.05 -1.39 0.00 -1.26 -0.71 107.32 103.93 3fg0 s GLY 400 Ca 0.06 -1.02 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3fg0 s GLY 400 CO 0.04 -1.02 -0.04 -0.11 0.00 0.00 0.00 173.10 171.97 3fg0 s PHE 401 N -1.69 0.55 -0.22 1.90 -0.12 -0.57 -4.84 117.98 112.99 3fg0 s PHE 401 Ca 0.34 -0.81 -0.17 0.00 -0.05 0.00 0.00 56.93 56.24 3fg0 s PHE 401 Cb -0.11 -0.36 -0.13 0.00 -0.63 0.00 0.00 43.02 41.78 3fg0 s PHE 401 CO 0.27 -0.24 -0.10 -1.91 -0.05 0.00 0.00 175.22 173.19 3fg0 n GLU 402 N 0.68 0.55 -4.45 1.99 4.07 -1.26 -0.34 120.64 121.88 3fg0 n GLU 402 Ca -0.18 0.42 -0.26 0.00 -0.06 0.00 0.00 57.16 57.09 3fg0 n GLU 402 Cb 0.58 -1.62 -0.10 0.00 -0.06 0.00 0.00 31.44 30.25 3fg0 n GLU 402 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 3fg0 s THR 403 N -2.46 2.32 0.46 6.31 -4.23 -1.26 -4.78 115.64 111.99 3fg0 s THR 403 Ca -0.30 -2.02 0.13 0.00 -1.18 0.00 0.00 61.69 58.32 3fg0 s THR 403 Cb 0.08 -2.82 0.23 0.00 1.34 0.00 0.00 72.50 71.33 3fg0 s THR 403 CO 0.49 -0.13 2.05 1.05 -0.54 0.00 0.00 174.62 177.54 3fg0 h GLU 404 N 1.82 0.13 -0.36 3.99 4.11 -1.99 -1.22 114.58 121.06 3fg0 h GLU 404 Ca -0.43 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 58.87 3fg0 h GLU 404 Cb 1.25 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3fg0 h GLU 404 CO 0.72 0.17 -0.24 1.96 0.07 0.00 0.00 179.01 181.69 3fg0 h GLN 405 N 0.13 0.71 -0.18 1.06 7.50 -1.99 -1.88 115.11 120.45 3fg0 h GLN 405 Ca 0.03 -0.29 -0.19 0.00 0.50 0.00 0.00 58.65 58.70 3fg0 h GLN 405 Cb 0.14 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.64 3fg0 h GLN 405 CO 0.01 0.89 -0.64 1.49 -1.50 0.00 0.00 178.83 179.07 3fg0 h GLU 406 N 0.62 0.67 -0.75 1.46 4.81 -1.72 -1.81 114.58 117.87 3fg0 h GLU 406 Ca 0.08 -0.47 0.02 0.00 -0.13 0.00 0.00 59.36 58.86 3fg0 h GLU 406 Cb 0.74 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 3fg0 h GLU 406 CO 0.06 1.09 0.48 0.00 -0.73 0.00 0.00 179.01 179.91 3fg0 h ALA 407 N 0.79 0.96 -0.08 2.92 0.00 -1.07 -0.65 119.26 122.13 3fg0 h ALA 407 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fg0 h ALA 407 Cb 1.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3fg0 h ALA 407 CO 0.13 0.31 0.02 0.82 0.00 0.00 0.00 179.25 180.53 3fg0 h ILE 408 N 0.96 1.19 -0.52 0.00 2.04 -1.27 -0.82 117.51 119.09 3fg0 h ILE 408 Ca 0.29 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3fg0 h ILE 408 Cb -0.05 1.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.41 3fg0 h ILE 408 CO -0.09 0.16 0.28 -0.61 0.00 0.00 0.00 178.15 177.90 3fg0 h GLN 409 N -0.07 0.54 -0.15 2.37 4.15 -1.05 -1.05 115.11 119.85 3fg0 h GLN 409 Ca 0.03 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 3fg0 h GLN 409 Cb 0.24 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 3fg0 h GLN 409 CO -0.00 0.36 -0.05 -0.07 -1.93 0.00 0.00 178.83 177.14 3fg0 h LEU 410 N 0.56 0.30 -0.86 -2.39 3.38 -1.09 -2.56 115.31 112.65 3fg0 h LEU 410 Ca 0.22 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3fg0 h LEU 410 Cb 0.09 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.69 3fg0 h LEU 410 CO -0.13 0.62 0.52 0.00 0.09 0.00 0.00 178.44 179.54 3fg0 h ALA 411 N 0.69 1.21 -0.00 1.53 0.00 -0.98 -1.86 119.26 119.85 3fg0 h ALA 411 Ca 0.04 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3fg0 h ALA 411 Cb 0.50 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3fg0 h ALA 411 CO 0.02 0.22 -0.02 0.09 0.00 0.00 0.00 179.25 179.55 3fg0 n ASN 412 N -4.66 0.48 -1.64 0.00 5.03 -0.41 -4.37 115.26 109.69 3fg0 n ASN 412 Ca 0.13 -0.99 -0.12 0.00 0.87 0.00 0.00 54.58 54.47 3fg0 n ASN 412 Cb 0.22 -0.03 0.10 0.00 -1.02 0.00 0.00 39.78 39.05 3fg0 n ASN 412 CO 0.00 0.00 0.00 -0.90 -1.83 0.00 0.00 177.26 174.53 3fg0 n ASP 413 N -0.71 3.40 -4.80 6.41 5.68 -0.70 -4.86 116.55 120.97 3fg0 n ASP 413 Ca 0.20 -2.84 -0.24 0.00 -0.50 0.00 0.00 54.79 51.41 3fg0 n ASP 413 Cb 0.21 -0.68 -0.05 0.00 -1.14 0.00 0.00 41.12 39.46 3fg0 n ASP 413 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3fg0 s SER 414 N -0.21 4.59 0.07 -1.12 1.04 -1.26 -5.01 113.70 111.79 3fg0 s SER 414 Ca 0.30 -1.06 0.27 0.00 0.48 0.00 0.00 55.95 55.94 3fg0 s SER 414 Cb 0.25 -0.29 0.99 0.00 0.10 0.00 0.00 66.02 67.07 3fg0 s SER 414 CO 0.06 -0.69 1.80 2.30 0.98 0.00 0.00 173.24 177.69 3fg0 n ILE 415 N -1.41 0.20 -2.83 -1.02 -5.35 -1.26 -4.92 119.36 102.78 3fg0 n ILE 415 Ca -0.01 -0.10 -0.19 0.00 -0.27 0.00 0.00 62.75 62.18 3fg0 n ILE 415 Cb 0.64 -0.44 0.08 0.00 -1.74 0.00 0.00 39.64 38.18 3fg0 n ILE 415 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3fg0 n TYR 416 N -1.77 -2.65 -2.58 4.28 4.01 -1.26 -0.84 117.16 116.36 3fg0 n TYR 416 Ca 0.06 -1.73 -0.02 0.00 -0.16 0.00 0.00 57.90 56.05 3fg0 n TYR 416 Cb 0.37 -0.56 0.01 0.00 -0.31 0.00 0.00 39.34 38.86 3fg0 n TYR 416 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3fg0 n GLY 417 N -1.48 -0.57 0.06 2.72 0.00 -1.19 -4.70 105.19 100.03 3fg0 n GLY 417 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.12 3fg0 n GLY 417 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3fg0 h LEU 418 N 0.54 0.00 -7.96 0.99 5.85 -1.81 0.26 115.31 113.18 3fg0 h LEU 418 Ca -0.26 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.41 3fg0 h LEU 418 Cb 1.12 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.05 3fg0 h LEU 418 CO -0.10 0.58 -0.07 0.00 -0.34 0.00 0.00 178.44 178.51 3fg0 s ALA 419 N -2.71 -0.55 -0.06 1.25 0.00 -1.26 -1.84 121.76 116.60 3fg0 s ALA 419 Ca -0.08 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 3fg0 s ALA 419 Cb 0.01 0.92 0.13 0.00 0.00 0.00 0.00 23.12 24.18 3fg0 s ALA 419 CO 0.12 -0.81 1.37 0.20 0.00 0.00 0.00 175.76 176.65 3fg0 s GLY 420 N -2.94 -0.42 0.12 0.00 0.00 -0.86 -3.73 107.32 99.49 3fg0 s GLY 420 Ca 0.15 0.73 0.04 0.00 0.00 0.00 0.00 44.72 45.64 3fg0 s GLY 420 CO 0.02 1.20 -0.11 0.00 0.00 0.00 0.00 173.10 174.21 3fg0 s ALA 421 N -2.15 1.31 -0.11 3.20 0.00 -0.28 -0.77 121.76 122.97 3fg0 s ALA 421 Ca 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3fg0 s ALA 421 Cb 0.05 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.20 3fg0 s ALA 421 CO -0.05 -0.02 -0.09 0.08 0.00 0.00 0.00 175.76 175.68 3fg0 s VAL 422 N -2.63 1.11 -0.22 0.00 1.01 0.07 -1.35 120.40 118.39 3fg0 s VAL 422 Ca 0.10 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 3fg0 s VAL 422 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3fg0 s VAL 422 CO 0.01 0.38 0.03 -0.36 0.00 0.00 0.00 175.10 175.15 3fg0 s PHE 423 N 1.44 3.06 -0.29 5.22 0.08 0.51 -1.03 117.98 126.97 3fg0 s PHE 423 Ca 0.01 -0.47 -0.22 0.00 0.12 0.00 0.00 56.93 56.36 3fg0 s PHE 423 Cb -0.13 -2.15 0.14 0.00 -0.57 0.00 0.00 43.02 40.31 3fg0 s PHE 423 CO -0.06 -0.30 1.08 0.45 -0.10 0.00 0.00 175.22 176.29 3fg0 s SER 424 N 1.27 -0.40 0.28 1.36 0.15 -1.26 -1.54 113.70 113.56 3fg0 s SER 424 Ca 0.04 0.73 0.25 0.00 0.70 0.00 0.00 55.95 57.67 3fg0 s SER 424 Cb -0.15 0.86 0.98 0.00 -1.71 0.00 0.00 66.02 66.00 3fg0 s SER 424 CO 0.02 -0.12 1.74 0.11 1.20 0.00 0.00 173.24 176.19 3fg0 h LYS 425 N 4.55 0.00 -5.43 5.44 1.57 -1.34 -3.39 116.57 117.97 3fg0 h LYS 425 Ca -0.28 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.84 3fg0 h LYS 425 Cb 1.18 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 33.35 3fg0 h LYS 425 CO 0.14 0.00 1.13 0.34 -0.57 0.00 0.00 179.45 180.50 3fg0 s ASP 426 N -4.42 6.61 0.34 0.86 -1.08 -1.26 -4.87 116.67 112.84 3fg0 s ASP 426 Ca 0.05 -1.88 0.01 0.00 -0.52 0.00 0.00 52.55 50.21 3fg0 s ASP 426 Cb 0.10 -2.47 0.59 0.00 -1.46 0.00 0.00 42.92 39.68 3fg0 s ASP 426 CO 0.44 -1.21 2.00 0.40 0.52 0.00 0.00 175.17 177.31 3fg0 h ILE 427 N 6.13 1.18 -0.48 4.11 1.08 -2.00 -1.37 117.51 126.15 3fg0 h ILE 427 Ca 0.19 -0.33 0.02 0.00 -0.39 0.00 0.00 64.86 64.35 3fg0 h ILE 427 Cb 1.01 0.19 -0.03 0.00 -3.07 0.00 0.00 36.82 34.92 3fg0 h ILE 427 CO 1.24 0.17 0.28 1.23 -0.69 0.00 0.00 178.15 180.38 3fg0 h GLY 428 N 0.92 0.68 0.91 5.37 0.00 -1.96 -0.73 103.07 108.25 3fg0 h GLY 428 Ca 0.24 -0.21 -0.05 0.00 0.00 0.00 0.00 47.33 47.32 3fg0 h GLY 428 CO -0.05 0.17 0.04 1.70 0.00 0.00 0.00 176.54 178.40 3fg0 h LYS 429 N 0.56 0.60 -0.85 4.80 3.64 -1.78 -1.76 116.57 121.76 3fg0 h LYS 429 Ca 0.20 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.44 3fg0 h LYS 429 Cb 0.03 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 31.74 3fg0 h LYS 429 CO -0.10 0.68 0.56 0.00 -2.27 0.00 0.00 179.45 178.33 3fg0 h ALA 430 N 0.89 1.46 -0.18 5.00 0.00 -1.01 -1.19 119.26 124.23 3fg0 h ALA 430 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3fg0 h ALA 430 Cb 0.38 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3fg0 h ALA 430 CO 0.01 0.47 -0.49 1.96 0.00 0.00 0.00 179.25 181.20 3fg0 h GLN 431 N 1.08 0.47 -0.30 0.00 4.20 -0.94 0.58 115.11 120.20 3fg0 h GLN 431 Ca 0.33 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3fg0 h GLN 431 Cb 0.00 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 3fg0 h GLN 431 CO -0.10 0.86 0.20 0.00 -0.67 0.00 0.00 178.83 179.12 3fg0 h ARG 432 N 0.38 0.39 -0.18 1.46 3.08 -0.50 -1.58 114.38 117.43 3fg0 h ARG 432 Ca 0.02 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3fg0 h ARG 432 Cb 0.99 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.95 3fg0 h ARG 432 CO 0.09 0.26 0.05 0.28 -1.07 0.00 0.00 179.97 179.57 3fg0 h VAL 433 N 0.40 1.20 -0.99 2.04 2.07 -1.10 -3.08 116.25 116.80 3fg0 h VAL 433 Ca 0.11 -0.63 0.12 0.00 0.82 0.00 0.00 66.70 67.12 3fg0 h VAL 433 Cb -0.04 1.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 3fg0 h VAL 433 CO -0.03 0.19 0.62 0.00 0.02 0.00 0.00 177.57 178.37 3fg0 h ALA 434 N 0.86 1.48 0.00 1.67 0.00 -0.73 -0.58 119.26 121.95 3fg0 h ALA 434 Ca 0.06 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3fg0 h ALA 434 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3fg0 h ALA 434 CO -0.00 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.56 3fg0 n ASN 435 N -4.63 0.39 -0.00 0.00 3.02 -0.61 -3.01 115.26 110.42 3fg0 n ASN 435 Ca 0.18 0.57 0.08 0.00 -0.03 0.00 0.00 54.58 55.38 3fg0 n ASN 435 Cb 0.34 -0.66 -0.10 0.00 -0.61 0.00 0.00 39.78 38.75 3fg0 n ASN 435 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3fg0 n LYS 436 N -1.90 1.26 -2.53 3.52 5.02 -0.29 -4.97 118.16 118.26 3fg0 n LYS 436 Ca 0.04 -0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.89 3fg0 n LYS 436 Cb 0.28 -1.32 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 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 -3.10 4.51 -1.20 -0.35 1.43 -0.78 -4.95 118.68 114.24 3fg0 s LEU 437 Ca 0.04 2.10 -0.10 0.00 -1.03 0.00 0.00 54.13 55.14 3fg0 s LEU 437 Cb 0.12 -3.61 0.21 0.00 0.03 0.00 0.00 46.19 42.94 3fg0 s LEU 437 CO 0.69 -0.17 1.56 0.29 0.23 0.00 0.00 176.35 178.95 3fg0 n LYS 438 N 2.10 3.67 -3.92 1.70 5.02 -1.26 -4.91 118.16 120.56 3fg0 n LYS 438 Ca 0.02 -3.93 -0.12 0.00 -2.02 0.00 0.00 58.31 52.25 3fg0 n LYS 438 Cb 0.46 -2.84 -0.13 0.00 -0.02 0.00 0.00 35.03 32.49 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 -0.17 2.05 0.40 -0.35 1.43 -1.26 -4.42 118.68 116.36 3fg0 s LEU 439 Ca 0.38 -0.11 0.15 0.00 -1.03 0.00 0.00 54.13 53.53 3fg0 s LEU 439 Cb 0.02 -0.01 0.84 0.00 0.03 0.00 0.00 46.19 47.07 3fg0 s LEU 439 CO 0.01 -0.05 1.87 1.23 0.23 0.00 0.00 176.35 179.63 3fg0 h GLY 440 N 5.84 0.00 -6.25 -3.19 0.00 -0.84 -3.42 103.07 95.20 3fg0 h GLY 440 Ca -0.26 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.76 3fg0 h GLY 440 CO 0.49 0.00 -0.74 -1.59 0.00 0.00 0.00 176.54 174.70 3fg0 s THR 441 N -4.19 0.07 -0.12 4.70 2.01 -0.85 -4.76 115.64 112.50 3fg0 s THR 441 Ca -0.03 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.08 3fg0 s THR 441 Cb 0.14 -0.16 0.02 0.00 0.01 0.00 0.00 72.50 72.51 3fg0 s THR 441 CO 0.70 0.10 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.92 3fg0 s VAL 442 N 0.81 1.33 -0.07 3.82 1.01 -1.26 -2.03 120.40 124.01 3fg0 s VAL 442 Ca -0.07 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 3fg0 s VAL 442 Cb -0.11 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3fg0 s VAL 442 CO -0.02 0.42 0.31 0.26 0.00 0.00 0.00 175.10 176.07 3fg0 s TRP 443 N 1.45 3.62 -0.26 5.22 0.51 0.05 -4.99 118.94 124.54 3fg0 s TRP 443 Ca 0.02 0.77 -0.06 0.00 -2.12 0.00 0.00 56.10 54.72 3fg0 s TRP 443 Cb -0.13 -2.22 -0.01 0.00 -0.81 0.00 0.00 33.47 30.30 3fg0 s TRP 443 CO -0.08 0.56 0.04 0.42 -0.51 0.00 0.00 176.95 177.38 3fg0 s ILE 444 N -0.64 3.86 -1.43 2.03 1.01 -1.26 -0.75 121.20 124.03 3fg0 s ILE 444 Ca 0.20 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3fg0 s ILE 444 Cb -0.15 -2.88 0.04 0.00 0.01 0.00 0.00 42.46 39.49 3fg0 s ILE 444 CO 0.09 0.25 1.12 0.59 0.00 0.00 0.00 174.94 176.98 3fg0 n ASN 445 N 4.86 -5.83 -3.41 3.58 3.02 -0.20 -4.97 115.26 112.30 3fg0 n ASN 445 Ca -0.16 -0.63 -0.09 0.00 -0.03 0.00 0.00 54.58 53.68 3fg0 n ASN 445 Cb 0.50 -4.61 -0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.31 -0.04 -0.17 6.41 -1.08 -1.26 -5.08 116.67 112.13 3fg0 s ASP 446 Ca 0.62 -0.95 -0.10 0.00 -0.52 0.00 0.00 52.55 51.60 3fg0 s ASP 446 Cb -0.29 0.77 0.06 0.00 -1.46 0.00 0.00 42.92 42.00 3fg0 s ASP 446 CO 0.77 -1.48 0.43 0.12 0.52 0.00 0.00 175.17 175.52 3fg0 s PHE 447 N -3.14 -0.61 0.00 -5.34 5.36 -1.26 -4.73 117.98 108.26 3fg0 s PHE 447 Ca 0.15 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.44 3fg0 s PHE 447 Cb -0.05 0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.90 3fg0 s PHE 447 CO 0.10 -0.33 0.00 0.72 -1.46 0.00 0.00 175.22 174.25 3fg0 n HIS 448 N 4.05 0.00 -1.78 10.12 8.25 -1.26 -4.92 115.22 129.67 3fg0 n HIS 448 Ca -0.22 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.83 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 -0.70 4.14 0.04 -0.41 0.02 -1.26 -5.01 135.00 131.82 3fg0 s PRO 449 Ca 0.00 2.56 -0.01 0.00 0.02 0.00 0.00 61.00 63.56 3fg0 s PRO 449 Cb 0.00 -3.07 -0.03 0.00 0.02 0.00 0.00 34.50 31.42 3fg0 s PRO 449 CO 0.00 -0.69 -0.01 1.52 -0.33 0.00 0.00 177.00 177.49 3fg0 s TYR 450 N 0.85 0.35 0.04 6.54 -0.85 -1.26 -5.06 117.35 117.95 3fg0 s TYR 450 Ca 0.71 -0.74 -0.27 0.00 -0.52 0.00 0.00 57.07 56.25 3fg0 s TYR 450 Cb -0.48 -0.26 0.09 0.00 0.38 0.00 0.00 41.96 41.68 3fg0 s TYR 450 CO 0.36 -0.30 0.74 -0.59 -1.52 0.00 0.00 175.55 174.25 3fg0 s PHE 451 N -2.65 -0.49 0.51 -3.49 -0.12 -1.26 -5.05 117.98 105.43 3fg0 s PHE 451 Ca -0.05 0.48 0.25 0.00 -0.05 0.00 0.00 56.93 57.55 3fg0 s PHE 451 Cb -0.01 0.51 1.35 0.00 -0.63 0.00 0.00 43.02 44.24 3fg0 s PHE 451 CO -0.05 -0.66 1.96 0.00 -0.05 0.00 0.00 175.22 176.42 3fg0 h ALA 452 N 2.25 2.50 0.00 1.99 0.00 -1.92 -2.03 119.26 122.04 3fg0 h ALA 452 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3fg0 h ALA 452 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3fg0 h ALA 452 CO 0.35 -0.68 0.00 1.96 0.00 0.00 0.00 179.25 180.88 3fg0 h GLN 453 N 0.08 0.00 -5.67 0.00 7.50 -1.95 0.40 115.11 115.47 3fg0 h GLN 453 Ca 0.31 0.00 -0.57 0.00 0.50 0.00 0.00 58.65 58.89 3fg0 h GLN 453 Cb 1.12 0.00 -0.30 0.00 0.05 0.00 0.00 27.48 28.35 3fg0 h GLN 453 CO -0.03 0.00 -0.84 0.00 -1.50 0.00 0.00 178.83 176.46 3fg0 s ALA 454 N -3.60 1.58 0.52 3.87 0.00 -0.76 -4.47 121.76 118.90 3fg0 s ALA 454 Ca 0.02 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 50.98 3fg0 s ALA 454 Cb 0.09 -0.45 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 3fg0 s ALA 454 CO 0.51 0.35 1.21 -1.25 0.00 0.00 0.00 175.76 176.59 3fg0 s PRO 455 N -0.28 3.41 -0.05 0.00 0.04 -1.26 -4.05 135.00 132.81 3fg0 s PRO 455 Ca 0.03 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.97 3fg0 s PRO 455 Cb -0.09 -2.23 0.01 0.00 0.04 0.00 0.00 34.50 32.24 3fg0 s PRO 455 CO 0.00 -0.87 -0.10 -0.46 0.04 0.00 0.00 177.00 175.61 3fg0 s TRP 456 N -1.52 1.24 -2.33 0.56 -0.11 0.10 -4.91 118.94 111.97 3fg0 s TRP 456 Ca 0.69 -0.41 0.00 0.00 1.22 0.00 0.00 56.10 57.60 3fg0 s TRP 456 Cb -0.31 -0.92 0.00 0.00 -1.50 0.00 0.00 33.47 30.74 3fg0 s TRP 456 CO 0.36 -0.22 0.00 0.41 -4.62 0.00 0.00 176.95 172.89 3fg0 n GLY 457 N 3.71 -1.82 3.39 5.86 0.00 -1.26 -1.14 105.19 113.94 3fg0 n GLY 457 Ca -0.22 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.37 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 1.52 0.67 -0.02 0.00 -1.26 -3.69 107.32 104.54 3fg0 s GLY 458 Ca 0.00 -1.34 -0.11 0.00 0.00 0.00 0.00 44.72 43.27 3fg0 s GLY 458 CO 0.00 -1.26 1.05 -0.19 0.00 0.00 0.00 173.10 172.70 3fg0 s TYR 459 N -0.94 3.31 0.00 1.90 4.12 0.03 -3.91 117.35 121.87 3fg0 s TYR 459 Ca 0.13 1.32 0.00 0.00 0.02 0.00 0.00 57.07 58.54 3fg0 s TYR 459 Cb -0.10 -2.85 0.00 0.00 -1.52 0.00 0.00 41.96 37.49 3fg0 s TYR 459 CO 0.05 -1.06 0.00 1.63 0.02 0.00 0.00 175.55 176.19 3fg0 n LYS 460 N -2.99 0.00 -0.01 -0.62 5.02 -1.26 -1.92 118.16 116.37 3fg0 n LYS 460 Ca 0.07 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.48 3fg0 n LYS 460 Cb 0.54 0.00 0.66 0.00 -0.02 0.00 0.00 35.03 36.21 3fg0 n LYS 460 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3fg0 n GLN 461 N 14.00 1.19 0.09 1.97 6.02 -0.02 -3.03 117.38 137.60 3fg0 n GLN 461 Ca 0.00 -0.28 0.12 0.00 -0.01 0.00 0.00 57.00 56.83 3fg0 n GLN 461 Cb 0.00 -1.40 0.45 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.58 0.52 0.00 1.08 7.64 -0.81 -4.67 113.62 116.81 3fg0 n SER 462 Ca 0.18 0.59 0.00 0.00 1.01 0.00 0.00 58.87 60.66 3fg0 n SER 462 Cb 0.15 -0.72 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 0.54 -1.39 2.86 0.23 0.00 -1.17 -0.30 105.19 105.96 3fg0 n GLY 463 Ca 0.04 -1.36 -0.18 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.57 0.31 0.00 -0.61 1.01 -0.53 -4.61 121.20 114.19 3fg0 s ILE 464 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.63 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 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.71 3fg0 n GLY 465 N 3.91 -2.18 3.12 6.18 0.00 -1.26 -0.72 105.19 114.24 3fg0 n GLY 465 Ca -0.24 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.26 0.70 0.21 1.61 1.81 -1.26 -4.26 118.95 117.50 3fg0 s ARG 466 Ca 0.00 -1.03 0.11 0.00 -1.72 0.00 0.00 55.73 53.09 3fg0 s ARG 466 Cb 0.00 -0.33 -0.05 0.00 -0.45 0.00 0.00 34.95 34.12 3fg0 s ARG 466 CO 0.00 0.04 -0.23 -1.21 -0.68 0.00 0.00 175.30 173.22 3fg0 s GLU 467 N -2.55 1.57 0.24 3.54 2.02 -0.29 -4.14 118.70 119.09 3fg0 s GLU 467 Ca 0.00 -1.57 0.00 0.00 0.02 0.00 0.00 54.97 53.43 3fg0 s GLU 467 Cb -0.04 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3fg0 s GLU 467 CO -0.01 0.39 0.00 1.28 0.02 0.00 0.00 175.26 176.93 3fg0 n LEU 468 N 0.08 -0.40 0.00 1.80 4.77 -1.26 0.03 117.00 122.02 3fg0 n LEU 468 Ca -0.11 0.94 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 3fg0 n LEU 468 Cb 0.57 -1.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.16 3fg0 n LEU 468 CO 0.31 -1.01 0.00 0.61 -1.33 0.00 0.00 177.39 175.97 3fg0 n GLY 469 N -3.07 -1.02 0.25 -0.72 0.00 0.14 -0.53 105.19 100.24 3fg0 n GLY 469 Ca -0.03 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 3fg0 n GLY 469 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fg0 h LYS 470 N 0.00 0.81 -0.83 1.61 1.63 -1.85 -2.97 116.57 114.98 3fg0 h LYS 470 Ca 0.00 -0.42 -0.02 0.00 -0.85 0.00 0.00 60.65 59.36 3fg0 h LYS 470 Cb 0.00 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3fg0 h LYS 470 CO 0.00 1.06 0.44 0.93 -3.45 0.00 0.00 179.45 178.43 3fg0 h GLU 471 N 0.67 1.16 -0.92 1.90 5.08 -1.95 -1.61 114.58 118.91 3fg0 h GLU 471 Ca 0.05 -0.14 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3fg0 h GLU 471 Cb 0.96 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 3fg0 h GLU 471 CO 0.09 0.87 0.60 0.78 -1.00 0.00 0.00 179.01 180.35 3fg0 h GLY 472 N 1.19 1.32 1.03 -3.84 0.00 -0.71 -2.47 103.07 99.59 3fg0 h GLY 472 Ca 0.29 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 3fg0 h GLY 472 CO -0.04 0.42 0.43 -2.00 0.00 0.00 0.00 176.54 175.34 3fg0 h LEU 473 N 1.19 1.07 -2.30 3.11 5.85 -1.19 -2.98 115.31 120.06 3fg0 h LEU 473 Ca 0.36 -0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3fg0 h LEU 473 Cb -0.05 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.70 3fg0 h LEU 473 CO -0.10 0.89 -0.02 -0.33 -0.34 0.00 0.00 178.44 178.54 3fg0 h GLU 474 N 1.18 0.00 0.00 1.25 5.08 -0.85 -0.06 114.58 121.18 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 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 3fg0 h GLU 474 CO -0.04 0.02 -0.10 0.93 -1.00 0.00 0.00 179.01 178.81 3fg0 h GLU 475 N 0.00 0.00 -0.63 2.33 4.39 -1.38 -2.68 114.58 116.61 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 0.23 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 3fg0 h GLU 475 CO 0.00 0.10 0.00 0.66 -1.16 0.00 0.00 179.01 178.61 3fg0 n TYR 476 N -4.14 1.09 -4.40 4.33 4.01 -0.04 -4.88 117.16 113.14 3fg0 n TYR 476 Ca -0.03 -0.47 -0.23 0.00 -0.16 0.00 0.00 57.90 57.02 3fg0 n TYR 476 Cb 0.18 -0.13 -0.11 0.00 -0.31 0.00 0.00 39.34 38.98 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 -1.37 2.51 -0.01 7.72 1.43 -1.01 -0.75 118.68 127.19 3fg0 s LEU 477 Ca 0.43 -0.95 0.02 0.00 -1.03 0.00 0.00 54.13 52.60 3fg0 s LEU 477 Cb 0.25 -0.95 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 3fg0 s LEU 477 CO 0.24 -0.01 -0.08 0.54 0.23 0.00 0.00 176.35 177.28 3fg0 s VAL 478 N -2.31 0.62 0.04 -1.59 0.11 0.93 -4.60 120.40 113.61 3fg0 s VAL 478 Ca 0.23 -0.32 -0.20 0.00 -2.93 0.00 0.00 61.98 58.76 3fg0 s VAL 478 Cb -0.05 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.20 3fg0 s VAL 478 CO 0.10 0.19 0.58 -0.44 -3.33 0.00 0.00 175.10 172.20 3fg0 s SER 479 N -0.04 7.03 -0.10 3.54 0.01 -1.26 -0.64 113.70 122.24 3fg0 s SER 479 Ca 0.01 1.23 0.01 0.00 1.31 0.00 0.00 55.95 58.51 3fg0 s SER 479 Cb -0.05 -2.36 0.02 0.00 0.21 0.00 0.00 66.02 63.84 3fg0 s SER 479 CO -0.00 0.21 -0.12 -0.75 0.41 0.00 0.00 173.24 172.99 3fg0 s LYS 480 N -0.76 1.87 -0.31 12.44 2.20 0.10 -4.98 119.74 130.31 3fg0 s LYS 480 Ca 0.30 -0.42 -0.20 0.00 -0.36 0.00 0.00 55.97 55.29 3fg0 s LYS 480 Cb -0.19 -1.69 -0.01 0.00 -1.51 0.00 0.00 37.83 34.43 3fg0 s LYS 480 CO 0.18 -0.13 0.60 -1.58 -0.36 0.00 0.00 175.35 174.07 3fg0 s HIS 481 N 1.20 3.21 -0.28 4.03 5.65 -1.26 -0.61 115.29 127.22 3fg0 s HIS 481 Ca -0.04 0.51 -0.07 0.00 0.25 0.00 0.00 55.06 55.72 3fg0 s HIS 481 Cb -0.14 -2.96 0.00 0.00 -1.18 0.00 0.00 32.58 28.30 3fg0 s HIS 481 CO -0.03 -0.47 0.07 0.42 -0.65 0.00 0.00 174.74 174.07 3fg0 s ILE 482 N 2.55 3.95 -0.21 0.89 1.01 -0.09 -4.99 121.20 124.32 3fg0 s ILE 482 Ca 0.24 -0.62 -0.04 0.00 0.00 0.00 0.00 60.65 60.24 3fg0 s ILE 482 Cb -0.15 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.32 3fg0 s ILE 482 CO 0.12 0.14 -0.05 -0.22 0.00 0.00 0.00 174.94 174.93 3fg0 s LEU 483 N 1.51 2.91 -0.21 2.97 2.96 -1.26 -1.74 118.68 125.82 3fg0 s LEU 483 Ca 0.03 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 3fg0 s LEU 483 Cb -0.17 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3fg0 s LEU 483 CO 0.02 0.01 0.00 -0.89 -1.32 0.00 0.00 176.35 174.18 3fg0 s THR 484 N 1.28 3.91 -0.41 3.68 2.01 0.33 -4.96 115.64 121.48 3fg0 s THR 484 Ca 0.03 -0.32 -0.22 0.00 0.31 0.00 0.00 61.69 61.49 3fg0 s THR 484 Cb -0.14 -2.78 0.02 0.00 0.01 0.00 0.00 72.50 69.60 3fg0 s THR 484 CO -0.02 0.41 0.74 0.21 -0.69 0.00 0.00 174.62 175.27 3fg0 s ASN 485 N 1.18 6.44 0.00 3.53 3.84 -1.26 -0.50 114.94 128.17 3fg0 s ASN 485 Ca 0.03 0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.40 3fg0 s ASN 485 Cb -0.14 -2.37 0.84 0.00 -0.55 0.00 0.00 41.25 39.03 3fg0 s ASN 485 CO 0.01 -0.79 1.62 0.35 -2.79 0.00 0.00 177.10 175.50 3fg0 n THR 486 N 5.91 0.00 -3.18 -5.21 -2.24 -0.40 -4.18 114.28 104.99 3fg0 n THR 486 Ca 0.01 -0.21 -0.18 0.00 -2.27 0.00 0.00 64.05 61.40 3fg0 n THR 486 Cb 0.48 0.54 -0.03 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.10 0.70 -4.73 3.42 5.15 -1.24 -5.04 115.26 113.42 3fg0 n ASN 487 Ca 0.16 -3.00 -0.42 0.00 -0.60 0.00 0.00 54.58 50.72 3fg0 n ASN 487 Cb 0.37 -0.56 -0.03 0.00 -0.53 0.00 0.00 39.78 39.03 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 -2.27 4.45 0.10 1.20 0.04 -1.26 -5.02 135.00 132.25 3fg0 s PRO 488 Ca 0.39 1.86 0.05 0.00 0.04 0.00 0.00 61.00 63.34 3fg0 s PRO 488 Cb 0.33 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.56 3fg0 s PRO 488 CO -0.08 -0.19 -0.12 -0.65 0.04 0.00 0.00 177.00 176.00 3fg0 s GLN 489 N 0.39 0.91 0.46 4.56 -1.52 -1.26 -5.13 119.66 118.07 3fg0 s GLN 489 Ca 0.56 -1.17 -0.25 0.00 -1.95 0.00 0.00 55.36 52.56 3fg0 s GLN 489 Cb -0.32 -0.69 -0.08 0.00 -0.22 0.00 0.00 33.01 31.71 3fg0 s GLN 489 CO 0.33 0.12 1.38 -0.51 -0.25 0.00 0.00 175.29 176.36 3fg0 s LEU 490 N -2.40 4.07 0.03 2.90 1.02 -1.26 -4.93 118.68 118.11 3fg0 s LEU 490 Ca 0.06 2.82 -0.12 0.00 0.02 0.00 0.00 54.13 56.91 3fg0 s LEU 490 Cb -0.04 -4.01 -0.33 0.00 0.02 0.00 0.00 46.19 41.83 3fg0 s LEU 490 CO 0.01 -1.19 0.97 0.58 0.02 0.00 0.00 176.35 176.74 3fg0 h VAL 491 N 2.14 1.27 -5.99 -1.59 2.07 -2.01 -3.48 116.25 108.66 3fg0 h VAL 491 Ca -0.51 -2.76 -0.41 0.00 0.82 0.00 0.00 66.70 63.85 3fg0 h VAL 491 Cb 1.27 2.97 0.08 0.00 -1.52 0.00 0.00 31.29 34.09 3fg0 h VAL 491 CO 0.60 0.83 -0.75 0.59 0.02 0.00 0.00 177.57 178.87 3fg0 n ASN 492 N -3.64 -4.01 -0.02 0.57 3.02 -1.26 -4.91 115.26 105.00 3fg0 n ASN 492 Ca -0.16 -0.68 -0.16 0.00 -0.03 0.00 0.00 54.58 53.55 3fg0 n ASN 492 Cb 1.08 -4.52 -0.12 0.00 -0.61 0.00 0.00 39.78 35.60 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 -2.21 0.26 -3.49 3.10 2.91 -2.03 -3.46 115.95 111.04 3fg0 h TRP 493 Ca -0.59 -0.16 -0.53 0.00 1.13 0.00 0.00 58.89 58.74 3fg0 h TRP 493 Cb 1.36 -0.02 -0.03 0.00 -0.51 0.00 0.00 29.16 29.96 3fg0 h TRP 493 CO 0.50 1.04 0.13 -0.06 -1.03 0.00 0.00 178.44 179.01 3fg0 s PHE 494 N -2.76 3.82 0.63 2.65 0.08 -1.26 -5.03 117.98 116.11 3fg0 s PHE 494 Ca -0.16 1.51 -0.18 0.00 0.12 0.00 0.00 56.93 58.22 3fg0 s PHE 494 Cb -0.00 -2.68 -0.03 0.00 -0.57 0.00 0.00 43.02 39.74 3fg0 s PHE 494 CO 0.75 0.48 1.09 0.43 -0.10 0.00 0.00 175.22 177.87 3fg0 n SER 495 N 1.37 1.25 -0.80 1.36 7.64 -1.26 -5.15 113.62 118.03 3fg0 n SER 495 Ca -0.06 0.80 0.13 0.00 1.01 0.00 0.00 58.87 60.75 3fg0 n SER 495 Cb 0.50 -1.46 0.24 0.00 -1.01 0.00 0.00 64.21 62.48 3fg0 n SER 495 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32