#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3eeb s LEU 6 N 0.00 4.13 -0.35 9.51 2.96 -1.26 -4.94 118.68 128.73 3eeb s LEU 6 Ca 0.00 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.73 3eeb s LEU 6 Cb 0.00 -2.89 0.11 0.00 0.50 0.00 0.00 46.19 43.91 3eeb s LEU 6 CO 0.00 -0.29 0.15 -2.28 -1.32 0.00 0.00 176.35 172.61 3eeb s HIS 7 N 2.00 1.72 -0.85 5.38 5.65 -1.26 -4.94 115.29 122.99 3eeb s HIS 7 Ca 0.29 -1.93 0.07 0.00 0.25 0.00 0.00 55.06 53.74 3eeb s HIS 7 Cb -0.16 -1.71 0.05 0.00 -1.18 0.00 0.00 32.58 29.58 3eeb s HIS 7 CO 0.10 -0.85 0.70 0.27 -0.65 0.00 0.00 174.74 174.32 3eeb n ASN 8 N 4.41 1.53 -4.90 9.88 0.23 -1.26 -0.52 115.26 124.64 3eeb n ASN 8 Ca 0.02 -1.27 -0.29 0.00 -0.53 0.00 0.00 54.58 52.52 3eeb n ASN 8 Cb 0.39 0.04 -0.03 0.00 -2.08 0.00 0.00 39.78 38.10 3eeb n ASN 8 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 3eeb s GLN 9 N -0.62 3.67 -0.30 -3.83 -0.21 -1.26 -1.02 119.66 116.08 3eeb s GLN 9 Ca 0.08 0.11 -0.16 0.00 0.02 0.00 0.00 55.36 55.40 3eeb s GLN 9 Cb 0.06 -2.59 0.02 0.00 1.00 0.00 0.00 33.01 31.50 3eeb s GLN 9 CO 0.09 0.16 0.35 -1.71 -2.12 0.00 0.00 175.29 172.07 3eeb n ASN 10 N -1.00 -6.84 0.27 5.90 5.15 -1.26 -4.81 115.26 112.67 3eeb n ASN 10 Ca -0.01 0.46 0.10 0.00 -0.60 0.00 0.00 54.58 54.53 3eeb n ASN 10 Cb 0.54 -3.22 0.72 0.00 -0.53 0.00 0.00 39.78 37.28 3eeb n ASN 10 CO 0.00 0.00 0.00 1.62 1.40 0.00 0.00 177.26 180.28 3eeb h VAL 11 N 2.64 0.87 0.00 3.44 3.04 -1.87 -0.67 116.25 123.71 3eeb h VAL 11 Ca -0.18 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.48 3eeb h VAL 11 Cb 0.94 1.01 -0.00 0.00 -2.01 0.00 0.00 31.29 31.23 3eeb h VAL 11 CO 0.14 0.01 -0.00 0.78 -1.01 0.00 0.00 177.57 177.48 3eeb h ASN 12 N 0.00 0.00 -0.01 3.17 4.21 -1.96 -1.83 115.58 119.17 3eeb h ASN 12 Ca -0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 3eeb h ASN 12 Cb 0.01 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 3eeb h ASN 12 CO 0.00 0.00 -0.03 -1.54 -1.29 0.00 0.00 177.43 174.57 3eeb n SER 13 N -3.48 2.00 -4.85 5.81 3.41 -0.26 -4.98 113.62 111.28 3eeb n SER 13 Ca -0.03 -1.63 -0.32 0.00 -0.26 0.00 0.00 58.87 56.63 3eeb n SER 13 Cb 0.09 0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 3eeb n SER 13 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3eeb s TRP 14 N -2.05 3.44 0.52 7.33 0.52 -0.69 -5.04 118.94 122.98 3eeb s TRP 14 Ca 0.33 1.34 -0.21 0.00 0.02 0.00 0.00 56.10 57.58 3eeb s TRP 14 Cb 0.20 -2.68 -0.06 0.00 -1.15 0.00 0.00 33.47 29.79 3eeb s TRP 14 CO 0.34 -0.24 1.22 0.20 0.02 0.00 0.00 176.95 178.50 3eeb s GLY 15 N -2.96 2.78 0.81 0.98 0.00 -1.26 -5.04 107.32 102.63 3eeb s GLY 15 Ca 0.57 1.04 -0.12 0.00 0.00 0.00 0.00 44.72 46.21 3eeb s GLY 15 CO 0.29 1.49 1.15 2.56 0.00 0.00 0.00 173.10 178.59 3eeb s PRO 16 N -2.97 1.96 0.18 2.90 0.04 -1.26 -5.08 135.00 130.77 3eeb s PRO 16 Ca 0.70 0.24 0.09 0.00 0.04 0.00 0.00 61.00 62.08 3eeb s PRO 16 Cb -0.32 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.24 3eeb s PRO 16 CO 0.37 -1.62 -0.20 0.96 0.04 0.00 0.00 177.00 176.55 3eeb s ILE 17 N -3.45 1.99 -0.06 0.56 -4.36 -1.26 -5.06 121.20 109.55 3eeb s ILE 17 Ca 0.62 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 59.04 3eeb s ILE 17 Cb -0.12 -1.95 0.01 0.00 1.25 0.00 0.00 42.46 41.65 3eeb s ILE 17 CO 0.51 -0.28 -0.12 -0.89 0.24 0.00 0.00 174.94 174.39 3eeb s THR 18 N -2.02 1.12 -0.15 8.37 2.01 -1.26 -5.00 115.64 118.71 3eeb s THR 18 Ca 0.18 -0.48 -0.08 0.00 0.31 0.00 0.00 61.69 61.62 3eeb s THR 18 Cb -0.06 -1.03 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3eeb s THR 18 CO 0.08 0.35 0.13 -0.69 -0.69 0.00 0.00 174.62 173.81 3eeb s VAL 19 N 0.64 5.46 -0.42 3.82 1.01 -1.26 -4.88 120.40 124.77 3eeb s VAL 19 Ca -0.14 0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 3eeb s VAL 19 Cb -0.16 -3.42 0.10 0.00 0.00 0.00 0.00 36.38 32.91 3eeb s VAL 19 CO 0.04 0.55 0.25 -0.89 0.00 0.00 0.00 175.10 175.05 3eeb s THR 20 N -0.51 3.76 0.54 3.92 2.01 -1.26 -5.06 115.64 119.03 3eeb s THR 20 Ca 0.12 -1.79 -0.21 0.00 0.31 0.00 0.00 61.69 60.12 3eeb s THR 20 Cb -0.12 -3.46 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 3eeb s THR 20 CO 0.02 -0.64 1.19 -2.65 -0.69 0.00 0.00 174.62 171.84 3eeb n PRO 21 N 4.76 1.42 -4.38 4.92 -0.02 -1.26 -4.67 135.00 135.77 3eeb n PRO 21 Ca -0.06 0.52 -0.20 0.00 -2.02 0.00 0.00 63.50 61.75 3eeb n PRO 21 Cb 0.42 -2.36 -0.10 0.00 -0.02 0.00 0.00 33.50 31.43 3eeb n PRO 21 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3eeb s THR 22 N -1.35 1.71 0.34 3.45 -4.23 -0.88 -5.04 115.64 109.65 3eeb s THR 22 Ca 0.71 -2.18 0.08 0.00 -1.18 0.00 0.00 61.69 59.12 3eeb s THR 22 Cb -0.44 -2.20 -0.05 0.00 1.34 0.00 0.00 72.50 71.15 3eeb s THR 22 CO 0.50 -0.48 0.11 0.42 -0.54 0.00 0.00 174.62 174.63 3eeb s THR 23 N -2.98 2.88 -1.53 3.99 -4.23 -1.26 -4.73 115.64 107.79 3eeb s THR 23 Ca 0.25 -1.77 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3eeb s THR 23 Cb 0.01 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.92 3eeb s THR 23 CO 0.09 -0.18 0.00 0.47 -0.54 0.00 0.00 174.62 174.46 3eeb n ASP 24 N -1.10 -4.84 0.16 3.99 8.00 -1.26 -4.88 116.55 116.62 3eeb n ASP 24 Ca -0.03 0.19 0.04 0.00 0.71 0.00 0.00 54.79 55.70 3eeb n ASP 24 Cb 0.62 -3.85 0.45 0.00 -0.02 0.00 0.00 41.12 38.32 3eeb n ASP 24 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3eeb h GLY 25 N 0.00 0.17 0.00 0.44 0.00 -1.85 -3.49 103.07 98.35 3eeb h GLY 25 Ca -0.35 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3eeb h GLY 25 CO 0.46 0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.70 3eeb n GLY 26 N -1.03 0.88 3.76 4.60 0.00 -1.26 -4.99 105.19 107.15 3eeb n GLY 26 Ca -0.01 -2.09 -0.40 0.00 0.00 0.00 0.00 46.02 43.52 3eeb n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3eeb s GLU 27 N -1.41 4.60 0.11 1.61 2.12 -1.26 -5.04 118.70 119.42 3eeb s GLU 27 Ca 0.00 1.78 0.09 0.00 0.36 0.00 0.00 54.97 57.20 3eeb s GLU 27 Cb 0.00 -3.13 -0.04 0.00 0.26 0.00 0.00 34.13 31.22 3eeb s GLU 27 CO 0.00 0.18 -0.17 -0.08 -0.54 0.00 0.00 175.26 174.65 3eeb s THR 28 N -1.21 2.88 -0.80 -1.70 -1.32 -1.26 -5.02 115.64 107.21 3eeb s THR 28 Ca 0.46 -1.46 0.24 0.00 -1.21 0.00 0.00 61.69 59.72 3eeb s THR 28 Cb -0.31 -2.32 0.24 0.00 -1.51 0.00 0.00 72.50 68.60 3eeb s THR 28 CO 0.40 0.12 1.75 -2.11 -2.21 0.00 0.00 174.62 172.57 3eeb n ARG 29 N 0.85 0.13 -3.51 7.08 1.85 -1.26 -4.78 116.66 117.01 3eeb n ARG 29 Ca -0.15 0.21 -0.37 0.00 -1.00 0.00 0.00 57.85 56.54 3eeb n ARG 29 Cb 0.53 -1.68 -0.07 0.00 -1.05 0.00 0.00 32.46 30.19 3eeb n ARG 29 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3eeb s PHE 30 N -3.10 3.48 0.24 2.89 0.08 -1.26 -4.88 117.98 115.43 3eeb s PHE 30 Ca 0.10 0.65 0.14 0.00 0.12 0.00 0.00 56.93 57.94 3eeb s PHE 30 Cb 0.13 -2.36 0.54 0.00 -0.57 0.00 0.00 43.02 40.76 3eeb s PHE 30 CO 0.47 0.26 1.69 -0.44 -0.10 0.00 0.00 175.22 177.10 3eeb h ASP 31 N 6.56 0.00 -5.14 1.36 3.32 -1.08 -3.46 116.42 117.98 3eeb h ASP 31 Ca -0.42 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 3eeb h ASP 31 Cb 1.17 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 3eeb h ASP 31 CO 0.75 0.49 -0.08 -0.83 -1.72 0.00 0.00 179.24 177.84 3eeb s GLY 32 N -4.40 0.07 -0.07 2.75 0.00 -1.12 -4.82 107.32 99.73 3eeb s GLY 32 Ca -0.01 -0.41 -0.20 0.00 0.00 0.00 0.00 44.72 44.10 3eeb s GLY 32 CO 0.72 -0.43 0.47 -0.86 0.00 0.00 0.00 173.10 173.00 3eeb s GLN 33 N -3.90 0.76 -0.18 2.90 -2.07 -1.00 -2.08 119.66 114.09 3eeb s GLN 33 Ca 0.11 0.17 -0.07 0.00 -1.82 0.00 0.00 55.36 53.74 3eeb s GLN 33 Cb 0.00 0.35 -0.04 0.00 -1.09 0.00 0.00 33.01 32.24 3eeb s GLN 33 CO -0.02 -0.20 0.06 0.42 -1.32 0.00 0.00 175.29 174.23 3eeb s ILE 34 N -0.88 4.78 -0.35 3.63 1.01 0.32 -1.39 121.20 128.31 3eeb s ILE 34 Ca -0.09 -0.04 -0.16 0.00 0.00 0.00 0.00 60.65 60.36 3eeb s ILE 34 Cb -0.03 -3.15 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 3eeb s ILE 34 CO 0.05 0.46 0.40 -0.63 0.00 0.00 0.00 174.94 175.22 3eeb s ILE 35 N 0.39 5.13 -0.46 2.92 -1.09 0.17 -1.24 121.20 127.02 3eeb s ILE 35 Ca 0.03 0.07 -0.12 0.00 -2.23 0.00 0.00 60.65 58.40 3eeb s ILE 35 Cb -0.12 -3.88 0.09 0.00 -1.58 0.00 0.00 42.46 36.97 3eeb s ILE 35 CO 0.00 -0.16 0.34 -0.69 -1.23 0.00 0.00 174.94 173.21 3eeb s VAL 36 N 2.11 4.68 -0.32 2.92 1.01 0.04 -0.97 120.40 129.88 3eeb s VAL 36 Ca 0.13 -1.33 -0.29 0.00 0.00 0.00 0.00 61.98 60.49 3eeb s VAL 36 Cb -0.16 -3.88 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3eeb s VAL 36 CO 0.12 -0.60 1.16 -1.58 0.00 0.00 0.00 175.10 174.20 3eeb s GLN 37 N 1.51 3.99 0.05 2.72 0.74 0.33 -0.21 119.66 128.79 3eeb s GLN 37 Ca 0.04 1.10 0.23 0.00 0.05 0.00 0.00 55.36 56.78 3eeb s GLN 37 Cb -0.25 -3.80 0.17 0.00 1.10 0.00 0.00 33.01 30.23 3eeb s GLN 37 CO 0.03 -1.01 1.14 -1.33 -0.55 0.00 0.00 175.29 173.57 3eeb n MET 38 N 7.10 0.23 -3.75 1.67 2.81 0.08 -2.02 117.12 123.24 3eeb n MET 38 Ca 0.13 0.02 -0.11 0.00 -1.81 0.00 0.00 57.70 55.92 3eeb n MET 38 Cb 0.47 -1.59 -0.07 0.00 -0.71 0.00 0.00 33.22 31.32 3eeb n MET 38 CO 0.00 0.00 0.00 -1.83 1.51 0.00 0.00 175.97 175.65 3eeb s GLU 39 N -3.15 0.83 -1.29 0.03 -1.05 -1.26 -4.73 118.70 108.08 3eeb s GLU 39 Ca 0.06 -0.56 -0.13 0.00 -0.15 0.00 0.00 54.97 54.19 3eeb s GLU 39 Cb 0.15 0.36 0.13 0.00 -0.44 0.00 0.00 34.13 34.33 3eeb s GLU 39 CO 0.77 -0.27 1.76 -1.71 0.95 0.00 0.00 175.26 176.76 3eeb n ASN 40 N 0.46 4.93 -4.00 0.83 5.15 0.33 -4.63 115.26 118.33 3eeb n ASN 40 Ca -0.18 -3.00 -0.20 0.00 -0.60 0.00 0.00 54.58 50.60 3eeb n ASN 40 Cb 0.60 -1.58 -0.15 0.00 -0.53 0.00 0.00 39.78 38.12 3eeb n ASN 40 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3eeb s ASP 41 N 2.40 1.20 0.30 1.20 -1.08 -1.26 -4.64 116.67 114.79 3eeb s ASP 41 Ca 0.44 -0.18 -0.01 0.00 -0.52 0.00 0.00 52.55 52.27 3eeb s ASP 41 Cb 0.05 -0.31 0.47 0.00 -1.46 0.00 0.00 42.92 41.67 3eeb s ASP 41 CO 0.00 0.07 1.96 -0.65 0.52 0.00 0.00 175.17 177.07 3eeb h PRO 42 N 6.36 1.06 -0.50 4.34 0.11 -1.99 0.21 132.00 141.59 3eeb h PRO 42 Ca -0.33 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 3eeb h PRO 42 Cb 1.17 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3eeb h PRO 42 CO 0.49 0.70 0.05 0.28 -0.21 0.00 0.00 178.00 179.30 3eeb h VAL 43 N 1.09 1.26 -0.39 3.15 2.07 -1.98 -1.54 116.25 119.90 3eeb h VAL 43 Ca 0.32 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 3eeb h VAL 43 Cb -0.06 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3eeb h VAL 43 CO -0.08 0.35 0.02 0.58 0.02 0.00 0.00 177.57 178.46 3eeb h VAL 44 N 0.71 1.26 -0.33 2.57 2.07 -1.64 -2.04 116.25 118.85 3eeb h VAL 44 Ca 0.15 -0.97 0.01 0.00 0.82 0.00 0.00 66.70 66.70 3eeb h VAL 44 Cb 0.44 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 3eeb h VAL 44 CO 0.02 0.33 0.20 0.00 0.02 0.00 0.00 177.57 178.14 3eeb h ALA 45 N 0.89 0.41 -0.95 1.67 0.00 -0.57 -0.69 119.26 120.03 3eeb h ALA 45 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3eeb h ALA 45 Cb 0.45 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 3eeb h ALA 45 CO 0.02 -0.14 0.60 -0.22 0.00 0.00 0.00 179.25 179.51 3eeb h LYS 46 N 0.42 1.27 -0.22 0.00 3.64 -1.24 -1.07 116.57 119.37 3eeb h LYS 46 Ca 0.12 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 3eeb h LYS 46 Cb -0.03 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.51 3eeb h LYS 46 CO -0.04 0.86 -0.19 0.00 -2.27 0.00 0.00 179.45 177.81 3eeb h ALA 47 N 1.33 0.31 -0.50 5.00 0.00 -1.07 -0.14 119.26 124.19 3eeb h ALA 47 Ca 0.34 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.97 3eeb h ALA 47 Cb -0.11 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.56 3eeb h ALA 47 CO -0.07 0.24 0.20 0.00 0.00 0.00 0.00 179.25 179.62 3eeb h ALA 48 N 0.66 0.63 -0.37 0.00 0.00 -1.00 0.87 119.26 120.05 3eeb h ALA 48 Ca 0.04 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3eeb h ALA 48 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3eeb h ALA 48 CO 0.05 -0.18 0.24 0.00 0.00 0.00 0.00 179.25 179.35 3eeb h ALA 49 N 1.32 0.47 -0.44 0.00 0.00 -1.00 -1.50 119.26 118.11 3eeb h ALA 49 Ca 0.24 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 3eeb h ALA 49 Cb 0.23 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3eeb h ALA 49 CO -0.22 -0.06 -0.11 -0.91 0.00 0.00 0.00 179.25 177.95 3eeb h ASN 50 N 0.49 0.79 -0.07 0.00 -0.26 -0.65 -0.51 115.58 115.36 3eeb h ASN 50 Ca 0.13 -0.24 -0.00 0.00 -0.56 0.00 0.00 56.30 55.64 3eeb h ASN 50 Cb -0.03 -0.21 -0.00 0.00 -1.06 0.00 0.00 38.32 37.01 3eeb h ASN 50 CO -0.03 0.92 0.04 -0.07 -1.06 0.00 0.00 177.43 177.23 3eeb h LEU 51 N 0.72 0.09 -0.90 1.61 3.38 -0.64 -2.48 115.31 117.09 3eeb h LEU 51 Ca 0.12 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.12 3eeb h LEU 51 Cb 0.59 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 3eeb h LEU 51 CO 0.04 0.12 0.55 0.00 0.09 0.00 0.00 178.44 179.24 3eeb h ALA 52 N 0.97 1.29 -0.64 1.53 0.00 -1.04 -2.59 119.26 118.77 3eeb h ALA 52 Ca 0.03 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.09 3eeb h ALA 52 Cb 0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3eeb h ALA 52 CO -0.00 0.24 0.44 0.78 0.00 0.00 0.00 179.25 180.71 3eeb h GLY 53 N 0.96 0.38 1.53 0.00 0.00 -0.63 -1.80 103.07 103.50 3eeb h GLY 53 Ca 0.42 -0.10 -0.08 0.00 0.00 0.00 0.00 47.33 47.57 3eeb h GLY 53 CO -0.22 0.04 -0.15 1.70 0.00 0.00 0.00 176.54 177.91 3eeb h LYS 54 N 0.23 0.56 -2.03 4.80 3.64 -1.25 -2.34 116.57 120.18 3eeb h LYS 54 Ca 0.31 -0.18 -0.51 0.00 -1.27 0.00 0.00 60.65 59.00 3eeb h LYS 54 Cb 0.90 -0.05 -0.40 0.00 -0.41 0.00 0.00 32.23 32.27 3eeb h LYS 54 CO -0.06 0.70 -1.11 0.72 -2.27 0.00 0.00 179.45 177.43 3eeb n HIS 55 N -4.17 0.55 -0.08 1.91 8.25 -0.95 -4.59 115.22 116.14 3eeb n HIS 55 Ca 0.01 -3.79 -0.04 0.00 -0.26 0.00 0.00 57.72 53.63 3eeb n HIS 55 Cb 0.35 -0.42 0.17 0.00 1.12 0.00 0.00 29.99 31.22 3eeb n HIS 55 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3eeb h ALA 56 N 3.26 1.11 -0.04 -1.41 0.00 -1.44 -1.71 119.26 119.03 3eeb h ALA 56 Ca 0.10 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3eeb h ALA 56 Cb 0.89 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3eeb h ALA 56 CO 0.53 0.56 -0.10 0.93 0.00 0.00 0.00 179.25 181.17 3eeb h GLU 57 N 0.66 0.06 -0.14 0.00 3.07 -1.93 -3.20 114.58 113.11 3eeb h GLU 57 Ca 0.12 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3eeb h GLU 57 Cb 0.50 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.39 3eeb h GLU 57 CO 0.03 0.17 0.00 -1.13 -1.40 0.00 0.00 179.01 176.67 3eeb n SER 58 N -4.39 2.27 -4.68 1.42 3.41 -0.94 -4.92 113.62 105.79 3eeb n SER 58 Ca -0.02 -1.86 -0.34 0.00 -0.26 0.00 0.00 58.87 56.39 3eeb n SER 58 Cb 0.19 -0.09 -0.09 0.00 -0.26 0.00 0.00 64.21 63.96 3eeb n SER 58 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3eeb s SER 59 N -0.90 5.22 -0.12 4.04 0.01 -0.69 -2.39 113.70 118.88 3eeb s SER 59 Ca 0.11 0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.51 3eeb s SER 59 Cb 0.06 -1.45 0.01 0.00 0.21 0.00 0.00 66.02 64.85 3eeb s SER 59 CO 0.08 0.36 -0.22 -0.69 0.41 0.00 0.00 173.24 173.17 3eeb s VAL 60 N -0.93 1.99 -0.23 3.43 1.01 -0.49 -4.17 120.40 121.01 3eeb s VAL 60 Ca 0.15 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 3eeb s VAL 60 Cb -0.11 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3eeb s VAL 60 CO 0.04 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 175.13 3eeb s VAL 61 N 0.61 5.24 -0.09 2.92 1.01 0.02 0.43 120.40 130.54 3eeb s VAL 61 Ca -0.13 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.03 3eeb s VAL 61 Cb -0.17 -3.43 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 3eeb s VAL 61 CO 0.03 0.37 -0.24 -0.69 0.00 0.00 0.00 175.10 174.58 3eeb s VAL 62 N 0.90 2.01 -0.16 2.92 1.01 -0.14 -0.94 120.40 125.99 3eeb s VAL 62 Ca 0.07 -1.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.89 3eeb s VAL 62 Cb -0.13 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 3eeb s VAL 62 CO 0.03 0.55 0.37 -1.10 0.00 0.00 0.00 175.10 174.95 3eeb s GLN 63 N 0.24 4.25 -0.08 2.72 -0.21 -0.43 -0.52 119.66 125.63 3eeb s GLN 63 Ca -0.15 0.21 0.02 0.00 0.02 0.00 0.00 55.36 55.46 3eeb s GLN 63 Cb -0.17 -3.47 0.01 0.00 1.00 0.00 0.00 33.01 30.39 3eeb s GLN 63 CO 0.08 0.12 -0.14 -1.17 -2.12 0.00 0.00 175.29 172.06 3eeb s LEU 64 N 0.80 1.66 0.59 2.90 2.96 -0.86 -1.36 118.68 125.37 3eeb s LEU 64 Ca 0.20 -0.36 0.09 0.00 -0.22 0.00 0.00 54.13 53.84 3eeb s LEU 64 Cb -0.14 -0.95 0.09 0.00 0.50 0.00 0.00 46.19 45.68 3eeb s LEU 64 CO 0.07 0.02 0.73 1.51 -1.32 0.00 0.00 176.35 177.36 3eeb s ASP 65 N 0.83 4.94 0.52 3.68 1.47 0.30 -4.60 116.67 123.81 3eeb s ASP 65 Ca -0.11 -0.99 0.30 0.00 1.18 0.00 0.00 52.55 52.93 3eeb s ASP 65 Cb -0.15 0.44 1.37 0.00 -0.34 0.00 0.00 42.92 44.24 3eeb s ASP 65 CO 0.02 -1.36 2.01 0.77 0.68 0.00 0.00 175.17 177.28 3eeb h SER 66 N 0.25 0.00 -0.04 2.11 4.64 -1.39 -1.20 113.55 117.92 3eeb h SER 66 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3eeb h SER 66 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3eeb h SER 66 CO 0.44 0.11 0.00 0.47 -0.87 0.00 0.00 176.83 176.97 3eeb n ASP 67 N -3.35 0.96 -0.04 4.97 8.00 -1.26 -4.90 116.55 120.92 3eeb n ASP 67 Ca -0.01 -1.40 -0.00 0.00 0.71 0.00 0.00 54.79 54.09 3eeb n ASP 67 Cb 0.30 -0.02 -0.00 0.00 -0.02 0.00 0.00 41.12 41.37 3eeb n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3eeb n GLY 68 N 1.07 0.47 3.77 0.44 0.00 -0.45 -5.03 105.19 105.46 3eeb n GLY 68 Ca 0.19 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 3eeb n GLY 68 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3eeb s ASN 69 N -2.28 7.48 0.11 1.61 0.01 -1.26 -4.82 114.94 115.79 3eeb s ASN 69 Ca 0.00 1.75 -0.03 0.00 -0.71 0.00 0.00 52.86 53.87 3eeb s ASN 69 Cb 0.00 -2.54 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 3eeb s ASN 69 CO 0.00 0.19 0.08 -0.72 -1.51 0.00 0.00 177.10 175.14 3eeb s TYR 70 N -1.14 0.65 -0.07 2.20 -0.85 -1.26 -0.54 117.35 116.34 3eeb s TYR 70 Ca 0.38 -1.07 -0.06 0.00 -0.52 0.00 0.00 57.07 55.80 3eeb s TYR 70 Cb -0.24 -0.36 0.02 0.00 0.38 0.00 0.00 41.96 41.76 3eeb s TYR 70 CO 0.28 -0.52 0.18 -0.98 -1.52 0.00 0.00 175.55 172.99 3eeb s ARG 71 N -3.99 0.19 -0.08 -3.49 1.70 -0.46 -4.99 118.95 107.83 3eeb s ARG 71 Ca 0.18 0.30 -0.30 0.00 -0.47 0.00 0.00 55.73 55.44 3eeb s ARG 71 Cb 0.07 0.03 -0.02 0.00 -0.57 0.00 0.00 34.95 34.46 3eeb s ARG 71 CO -0.02 -0.06 1.10 0.08 -1.08 0.00 0.00 175.30 175.32 3eeb s VAL 72 N 0.40 4.52 -0.11 4.99 1.01 -1.26 -1.31 120.40 128.64 3eeb s VAL 72 Ca -0.03 1.82 0.02 0.00 0.00 0.00 0.00 61.98 63.79 3eeb s VAL 72 Cb -0.04 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 3eeb s VAL 72 CO -0.02 0.01 0.20 1.33 0.00 0.00 0.00 175.10 176.62 3eeb n VAL 73 N 4.56 0.00 -3.62 2.92 0.24 -0.12 -4.99 118.33 117.32 3eeb n VAL 73 Ca 0.10 -0.47 -0.14 0.00 -2.04 0.00 0.00 64.34 61.78 3eeb n VAL 73 Cb 0.48 1.01 -0.07 0.00 -1.47 0.00 0.00 33.84 33.78 3eeb n VAL 73 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3eeb s TYR 74 N -0.87 -0.77 0.00 6.34 5.04 -1.13 -4.82 117.35 121.15 3eeb s TYR 74 Ca 0.01 1.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.47 3eeb s TYR 74 Cb 0.01 0.28 0.00 0.00 0.35 0.00 0.00 41.96 42.60 3eeb s TYR 74 CO 0.05 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.28 3eeb n GLY 75 N 2.55 -3.49 3.08 8.97 0.00 -1.26 -0.80 105.19 114.23 3eeb n GLY 75 Ca -0.14 -1.88 -0.34 0.00 0.00 0.00 0.00 46.02 43.66 3eeb n GLY 75 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3eeb s ASP 76 N -0.90 5.04 0.42 1.61 3.68 -1.26 -4.93 116.67 120.33 3eeb s ASP 76 Ca 0.00 -2.11 0.09 0.00 2.13 0.00 0.00 52.55 52.66 3eeb s ASP 76 Cb 0.00 -1.74 0.91 0.00 -1.45 0.00 0.00 42.92 40.64 3eeb s ASP 76 CO 0.00 -0.47 2.06 1.55 0.13 0.00 0.00 175.17 178.44 3eeb h PRO 77 N 7.84 0.48 0.00 4.34 0.13 -1.95 -2.73 132.00 140.11 3eeb h PRO 77 Ca -0.09 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3eeb h PRO 77 Cb 1.03 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3eeb h PRO 77 CO 0.62 0.32 0.00 -1.13 -0.23 0.00 0.00 178.00 177.58 3eeb n SER 78 N -4.48 0.59 -0.72 1.44 3.41 -1.26 -2.28 113.62 110.33 3eeb n SER 78 Ca 0.03 0.73 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 3eeb n SER 78 Cb 0.10 -0.82 0.19 0.00 -0.26 0.00 0.00 64.21 63.42 3eeb n SER 78 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3eeb n LYS 79 N -2.25 2.87 -2.28 4.33 4.76 -1.03 -4.90 118.16 119.66 3eeb n LYS 79 Ca -0.00 -2.39 -0.34 0.00 -2.87 0.00 0.00 58.31 52.70 3eeb n LYS 79 Cb 0.09 -1.52 -0.04 0.00 -1.84 0.00 0.00 35.03 31.72 3eeb n LYS 79 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3eeb s LEU 80 N -1.84 3.31 0.21 -0.35 1.43 -0.96 -4.94 118.68 115.54 3eeb s LEU 80 Ca 0.31 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.61 3eeb s LEU 80 Cb 0.22 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 3eeb s LEU 80 CO 0.12 -2.16 -0.16 -1.81 0.23 0.00 0.00 176.35 172.57 3eeb s ASP 81 N 6.53 2.74 0.06 2.29 -0.00 -1.26 -4.86 116.67 122.17 3eeb s ASP 81 Ca 0.58 -1.00 0.00 0.00 -0.00 0.00 0.00 52.55 52.13 3eeb s ASP 81 Cb -0.05 -0.16 0.00 0.00 -0.00 0.00 0.00 42.92 42.71 3eeb s ASP 81 CO -0.02 -0.12 0.00 0.61 -0.00 0.00 0.00 175.17 175.65 3eeb n GLY 82 N -0.31 0.39 3.61 0.21 0.00 -1.26 -4.05 105.19 103.78 3eeb n GLY 82 Ca -0.08 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 3eeb n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3eeb s LYS 83 N 0.00 3.96 0.10 1.61 2.20 -1.26 -4.92 119.74 121.43 3eeb s LYS 83 Ca 0.00 0.53 0.06 0.00 -0.36 0.00 0.00 55.97 56.20 3eeb s LYS 83 Cb 0.00 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 3eeb s LYS 83 CO 0.00 -0.64 -0.03 -0.51 -0.36 0.00 0.00 175.35 173.81 3eeb s LEU 84 N 2.85 3.34 0.16 5.43 1.43 -1.26 -0.54 118.68 130.09 3eeb s LEU 84 Ca 0.30 -0.24 0.10 0.00 -1.03 0.00 0.00 54.13 53.26 3eeb s LEU 84 Cb -0.14 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3eeb s LEU 84 CO 0.12 0.17 -0.22 -0.60 0.23 0.00 0.00 176.35 176.05 3eeb s ARG 85 N -2.29 1.37 -0.11 1.70 3.52 -0.88 -1.02 118.95 121.24 3eeb s ARG 85 Ca 0.25 -1.41 0.04 0.00 -0.13 0.00 0.00 55.73 54.47 3eeb s ARG 85 Cb -0.11 -1.64 0.00 0.00 -1.56 0.00 0.00 34.95 31.64 3eeb s ARG 85 CO 0.17 0.36 -0.23 -1.58 -0.81 0.00 0.00 175.30 173.20 3eeb s TRP 86 N -1.60 2.57 -0.26 5.12 0.52 -0.62 -0.52 118.94 124.14 3eeb s TRP 86 Ca 0.16 -1.10 -0.04 0.00 0.02 0.00 0.00 56.10 55.14 3eeb s TRP 86 Cb -0.08 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.53 3eeb s TRP 86 CO 0.07 -0.46 0.00 -0.65 0.02 0.00 0.00 176.95 175.94 3eeb s GLN 87 N 0.44 3.08 -0.16 4.98 -0.21 -0.37 -0.47 119.66 126.95 3eeb s GLN 87 Ca -0.17 -0.83 -0.19 0.00 0.02 0.00 0.00 55.36 54.19 3eeb s GLN 87 Cb -0.17 -3.15 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 3eeb s GLN 87 CO 0.07 -0.36 0.55 -0.51 -2.12 0.00 0.00 175.29 172.92 3eeb s LEU 88 N 1.44 4.21 -0.18 2.90 1.43 -0.24 -0.78 118.68 127.46 3eeb s LEU 88 Ca 0.03 0.81 -0.01 0.00 -1.03 0.00 0.00 54.13 53.93 3eeb s LEU 88 Cb -0.16 -2.79 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 3eeb s LEU 88 CO -0.01 -0.14 -0.12 -0.69 0.23 0.00 0.00 176.35 175.62 3eeb s VAL 89 N 1.28 2.81 0.04 -1.59 1.01 0.70 -0.35 120.40 124.29 3eeb s VAL 89 Ca 0.27 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.26 3eeb s VAL 89 Cb -0.16 -2.22 0.10 0.00 0.00 0.00 0.00 36.38 34.11 3eeb s VAL 89 CO 0.11 0.49 1.18 -0.83 0.00 0.00 0.00 175.10 176.05 3eeb s GLY 90 N 1.09 -0.36 0.04 4.51 0.00 -1.14 -0.75 107.32 110.72 3eeb s GLY 90 Ca 0.00 0.53 -0.26 0.00 0.00 0.00 0.00 44.72 44.99 3eeb s GLY 90 CO -0.03 0.09 0.80 0.30 0.00 0.00 0.00 173.10 174.25 3eeb s HIS 91 N -2.70 3.73 0.12 1.90 3.76 -1.26 -4.22 115.29 116.62 3eeb s HIS 91 Ca 0.13 1.51 -0.28 0.00 -0.15 0.00 0.00 55.06 56.27 3eeb s HIS 91 Cb 0.03 -2.87 -0.06 0.00 1.11 0.00 0.00 32.58 30.79 3eeb s HIS 91 CO -0.02 0.23 0.89 0.20 -0.85 0.00 0.00 174.74 175.20 3eeb s GLY 92 N 0.08 2.96 0.22 -2.22 0.00 -1.26 -1.53 107.32 105.57 3eeb s GLY 92 Ca 0.40 0.49 -0.02 0.00 0.00 0.00 0.00 44.72 45.60 3eeb s GLY 92 CO 0.24 1.27 0.19 0.50 0.00 0.00 0.00 173.10 175.30 3eeb s ARG 93 N -0.31 1.31 -0.52 2.90 0.52 -0.13 -4.86 118.95 117.86 3eeb s ARG 93 Ca 0.43 -1.62 -0.02 0.00 -0.52 0.00 0.00 55.73 54.00 3eeb s ARG 93 Cb -0.23 0.30 0.00 0.00 0.52 0.00 0.00 34.95 35.55 3eeb s ARG 93 CO 0.28 -0.45 0.52 -0.25 0.02 0.00 0.00 175.30 175.42 3eeb n ASP 94 N -0.42 -6.47 -4.77 0.23 9.92 -1.26 -2.14 116.55 111.65 3eeb n ASP 94 Ca 0.02 0.04 -0.39 0.00 -0.53 0.00 0.00 54.79 53.93 3eeb n ASP 94 Cb 0.65 -4.32 -0.00 0.00 -0.64 0.00 0.00 41.12 36.81 3eeb n ASP 94 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 3eeb s HIS 95 N -2.84 2.76 0.17 1.24 2.46 -1.26 -1.96 115.29 115.86 3eeb s HIS 95 Ca 0.04 1.40 0.04 0.00 0.47 0.00 0.00 55.06 57.01 3eeb s HIS 95 Cb -0.01 -3.69 -0.01 0.00 -0.13 0.00 0.00 32.58 28.74 3eeb s HIS 95 CO 0.58 -2.18 0.14 -1.13 -2.47 0.00 0.00 174.74 169.68 3eeb n SER 96 N 0.02 -0.29 0.11 9.88 3.41 -0.67 -4.92 113.62 121.16 3eeb n SER 96 Ca 0.04 -2.14 0.16 0.00 -0.26 0.00 0.00 58.87 56.67 3eeb n SER 96 Cb 0.44 0.85 0.71 0.00 -0.26 0.00 0.00 64.21 65.95 3eeb n SER 96 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3eeb h GLU 97 N 0.00 0.00 -0.47 4.33 4.81 -2.00 -1.49 114.58 119.76 3eeb h GLU 97 Ca -0.12 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 3eeb h GLU 97 Cb 0.63 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.94 3eeb h GLU 97 CO 0.18 0.00 0.08 0.25 -0.73 0.00 0.00 179.01 178.79 3eeb n THR 98 N -4.29 2.60 -4.16 0.32 -2.24 -1.26 -4.85 114.28 100.39 3eeb n THR 98 Ca 0.05 -1.89 0.00 0.00 -2.27 0.00 0.00 64.05 59.93 3eeb n THR 98 Cb 0.41 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 3eeb n THR 98 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3eeb n ASN 99 N -0.38 -0.45 -4.73 3.42 3.02 -0.56 -3.06 115.26 112.53 3eeb n ASN 99 Ca 0.31 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.45 3eeb n ASN 99 Cb 1.12 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 40.30 3eeb n ASN 99 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3eeb n ASN 100 N -0.42 2.86 -0.20 6.41 3.02 0.16 -1.67 115.26 125.42 3eeb n ASN 100 Ca 0.00 1.10 0.04 0.00 -0.03 0.00 0.00 54.58 55.70 3eeb n ASN 100 Cb 0.00 -1.55 -0.00 0.00 -0.61 0.00 0.00 39.78 37.62 3eeb n ASN 100 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3eeb n THR 101 N -0.28 0.00 -3.96 3.41 -2.24 -0.83 -4.16 114.28 106.21 3eeb n THR 101 Ca 0.06 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.30 3eeb n THR 101 Cb 0.41 1.11 -0.15 0.00 -2.10 0.00 0.00 70.33 69.60 3eeb n THR 101 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3eeb s ARG 102 N -1.29 0.17 -0.20 -0.78 0.52 -0.99 -4.13 118.95 112.25 3eeb s ARG 102 Ca 0.08 -0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.23 3eeb s ARG 102 Cb 0.07 -0.22 -0.00 0.00 0.52 0.00 0.00 34.95 35.32 3eeb s ARG 102 CO 0.23 0.00 -0.09 -1.17 0.02 0.00 0.00 175.30 174.29 3eeb s LEU 103 N 0.19 2.69 -1.61 2.53 2.96 0.15 -0.96 118.68 124.63 3eeb s LEU 103 Ca -0.02 -0.45 -0.17 0.00 -0.22 0.00 0.00 54.13 53.28 3eeb s LEU 103 Cb -0.04 -1.66 0.14 0.00 0.50 0.00 0.00 46.19 45.13 3eeb s LEU 103 CO -0.01 0.01 0.78 -1.20 -1.32 0.00 0.00 176.35 174.61 3eeb n SER 104 N 4.61 -3.62 0.00 3.68 7.64 -0.58 -0.78 113.62 124.57 3eeb n SER 104 Ca -0.19 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 58.81 3eeb n SER 104 Cb 0.51 -2.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 3eeb n SER 104 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3eeb n GLY 105 N -1.39 0.92 3.64 0.23 0.00 -1.26 -4.85 105.19 102.47 3eeb n GLY 105 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3eeb n GLY 105 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3eeb s TYR 106 N -2.71 3.18 0.98 1.61 2.02 0.04 -5.03 117.35 117.44 3eeb s TYR 106 Ca 0.00 0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.66 3eeb s TYR 106 Cb 0.00 -1.91 0.18 0.00 -0.40 0.00 0.00 41.96 39.83 3eeb s TYR 106 CO 0.00 0.30 1.08 -1.54 -1.57 0.00 0.00 175.55 173.82 3eeb s SER 107 N -0.30 2.69 0.26 2.29 1.04 -1.26 -0.67 113.70 117.75 3eeb s SER 107 Ca 0.07 1.47 -0.01 0.00 0.48 0.00 0.00 55.95 57.96 3eeb s SER 107 Cb -0.12 -2.15 0.51 0.00 0.10 0.00 0.00 66.02 64.37 3eeb s SER 107 CO 0.02 -3.13 1.79 0.00 0.98 0.00 0.00 173.24 172.90 3eeb h ALA 108 N -1.89 1.32 -0.08 5.32 0.00 -1.88 -1.17 119.26 120.89 3eeb h ALA 108 Ca -0.53 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.24 3eeb h ALA 108 Cb 1.30 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3eeb h ALA 108 CO 0.53 0.01 -0.80 -0.44 0.00 0.00 0.00 179.25 178.55 3eeb h ASP 109 N 0.74 0.63 -0.49 0.00 5.19 -1.92 -2.60 116.42 117.97 3eeb h ASP 109 Ca 0.46 -0.44 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 3eeb h ASP 109 Cb 0.57 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 3eeb h ASP 109 CO -0.32 1.21 0.14 -0.33 -3.12 0.00 0.00 179.24 176.82 3eeb h GLU 110 N 0.34 0.77 -0.69 3.56 5.08 -1.85 -2.69 114.58 119.11 3eeb h GLU 110 Ca -0.05 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.11 3eeb h GLU 110 Cb 1.41 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.52 3eeb h GLU 110 CO 0.15 0.74 0.36 1.25 -1.00 0.00 0.00 179.01 180.50 3eeb h LEU 111 N 0.67 0.88 -1.11 1.33 5.85 -1.19 -0.78 115.31 120.96 3eeb h LEU 111 Ca 0.16 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3eeb h LEU 111 Cb 0.30 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3eeb h LEU 111 CO -0.00 0.74 0.40 0.00 -0.34 0.00 0.00 178.44 179.24 3eeb h ALA 112 N 1.17 1.32 -0.16 1.25 0.00 -1.35 -0.16 119.26 121.34 3eeb h ALA 112 Ca 0.24 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3eeb h ALA 112 Cb 0.07 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3eeb h ALA 112 CO -0.03 0.55 -0.00 0.28 0.00 0.00 0.00 179.25 180.05 3eeb h VAL 113 N 1.02 1.25 -0.39 0.00 2.07 -1.10 0.51 116.25 119.61 3eeb h VAL 113 Ca 0.26 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 67.01 3eeb h VAL 113 Cb 0.03 1.50 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 3eeb h VAL 113 CO -0.04 0.25 -0.11 0.11 0.02 0.00 0.00 177.57 177.80 3eeb h LYS 114 N 0.03 -0.02 -0.23 1.57 1.79 -0.83 0.51 116.57 119.39 3eeb h LYS 114 Ca 0.05 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.40 3eeb h LYS 114 Cb 0.38 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.02 3eeb h LYS 114 CO 0.01 -0.01 -0.34 -0.07 -1.08 0.00 0.00 179.45 177.95 3eeb h LEU 115 N -0.02 0.51 -0.30 2.94 3.38 -0.97 -0.25 115.31 120.60 3eeb h LEU 115 Ca 0.19 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3eeb h LEU 115 Cb 0.31 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3eeb h LEU 115 CO -0.41 0.82 0.07 0.00 0.09 0.00 0.00 178.44 179.00 3eeb h ALA 116 N 1.22 0.40 -0.57 1.53 0.00 -0.21 -0.90 119.26 120.72 3eeb h ALA 116 Ca 0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 3eeb h ALA 116 Cb 0.80 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3eeb h ALA 116 CO 0.06 0.06 0.21 0.87 0.00 0.00 0.00 179.25 180.45 3eeb h LYS 117 N 0.32 0.87 0.07 0.00 1.57 -0.87 -2.70 116.57 115.84 3eeb h LYS 117 Ca 0.09 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 3eeb h LYS 117 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3eeb h LYS 117 CO 0.00 0.77 -0.14 0.35 -0.57 0.00 0.00 179.45 179.86 3eeb h PHE 118 N 0.79 -0.37 -0.41 -1.35 3.57 -0.96 -0.85 116.94 117.37 3eeb h PHE 118 Ca 0.19 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.78 3eeb h PHE 118 Cb 0.24 0.15 -0.09 0.00 2.79 0.00 0.00 35.95 39.04 3eeb h PHE 118 CO 0.01 -0.21 -0.25 0.37 -2.23 0.00 0.00 178.31 176.00 3eeb h GLN 119 N -0.28 -0.17 -0.29 1.11 5.75 -1.09 0.50 115.11 120.64 3eeb h GLN 119 Ca 0.03 0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.58 3eeb h GLN 119 Cb 0.30 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 3eeb h GLN 119 CO -0.09 -0.11 0.03 1.96 -2.65 0.00 0.00 178.83 177.97 3eeb h GLN 120 N -0.18 0.13 0.04 1.69 4.20 -1.28 -1.09 115.11 118.62 3eeb h GLN 120 Ca 0.19 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 3eeb h GLN 120 Cb 0.48 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3eeb h GLN 120 CO -0.51 0.08 -0.02 1.03 -0.67 0.00 0.00 178.83 178.74 3eeb h SER 121 N 0.13 -0.04 0.23 1.46 0.87 -0.29 -1.60 113.55 114.30 3eeb h SER 121 Ca 0.14 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.46 3eeb h SER 121 Cb 0.17 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 3eeb h SER 121 CO -0.21 0.22 -0.24 0.15 -0.53 0.00 0.00 176.83 176.22 3eeb h PHE 122 N -0.31 -0.64 -0.41 2.24 3.57 0.03 -1.17 116.94 120.25 3eeb h PHE 122 Ca -0.01 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 3eeb h PHE 122 Cb 0.28 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3eeb h PHE 122 CO 0.01 -0.35 0.28 -0.91 -2.23 0.00 0.00 178.31 175.10 3eeb h ASN 123 N -0.51 0.35 0.34 0.41 2.35 -1.23 -0.01 115.58 117.28 3eeb h ASN 123 Ca -0.00 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3eeb h ASN 123 Cb 0.48 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3eeb h ASN 123 CO -0.06 0.24 -0.16 -0.61 -1.65 0.00 0.00 177.43 175.19 3eeb h GLN 124 N 0.40 -0.44 -0.05 0.81 5.75 -0.86 -2.13 115.11 118.61 3eeb h GLN 124 Ca 0.17 0.03 -0.19 0.00 -0.15 0.00 0.00 58.65 58.51 3eeb h GLN 124 Cb 0.18 0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 3eeb h GLN 124 CO -0.04 -0.11 -0.79 0.00 -2.65 0.00 0.00 178.83 175.24 3eeb h ALA 125 N -0.39 0.55 -0.01 3.38 0.00 -1.06 -3.17 119.26 118.57 3eeb h ALA 125 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.22 3eeb h ALA 125 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3eeb h ALA 125 CO 0.08 0.80 -0.25 0.39 0.00 0.00 0.00 179.25 180.27 3eeb n GLU 126 N -3.79 0.99 -2.71 0.00 -0.58 -0.03 -4.94 120.64 109.58 3eeb n GLU 126 Ca -0.04 -0.62 -0.19 0.00 -0.42 0.00 0.00 57.16 55.88 3eeb n GLU 126 Cb 0.74 -1.49 0.02 0.00 -0.57 0.00 0.00 31.44 30.14 3eeb n GLU 126 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 3eeb n ASN 127 N -0.46 -5.49 -4.84 1.62 5.15 -0.94 -4.80 115.26 105.49 3eeb n ASN 127 Ca 0.13 -0.17 -0.29 0.00 -0.60 0.00 0.00 54.58 53.65 3eeb n ASN 127 Cb 0.37 -4.40 -0.04 0.00 -0.53 0.00 0.00 39.78 35.18 3eeb n ASN 127 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3eeb s ILE 128 N -3.03 1.41 -0.44 -1.44 -4.36 -0.84 -5.03 121.20 107.45 3eeb s ILE 128 Ca 0.17 -1.72 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 3eeb s ILE 128 Cb -0.07 -2.12 0.20 0.00 1.25 0.00 0.00 42.46 41.71 3eeb s ILE 128 CO 0.21 0.00 0.88 0.54 0.24 0.00 0.00 174.94 176.81 3eeb s ASN 129 N -4.11 -0.97 -0.28 4.36 6.03 -1.26 -4.52 114.94 114.19 3eeb s ASN 129 Ca 0.21 -1.13 0.00 0.00 -1.03 0.00 0.00 52.86 50.91 3eeb s ASN 129 Cb -0.01 1.27 0.15 0.00 -3.03 0.00 0.00 41.25 39.63 3eeb s ASN 129 CO 0.13 -0.04 0.36 0.21 -2.03 0.00 0.00 177.10 175.73 3eeb s ASN 130 N 0.96 0.81 0.61 3.54 3.84 -1.26 -5.11 114.94 118.34 3eeb s ASN 130 Ca 0.27 -0.40 -0.17 0.00 0.21 0.00 0.00 52.86 52.77 3eeb s ASN 130 Cb 0.05 0.89 -0.02 0.00 -0.55 0.00 0.00 41.25 41.61 3eeb s ASN 130 CO -0.07 -0.36 1.14 -1.59 -2.79 0.00 0.00 177.10 173.43 3eeb s LYS 131 N 2.48 2.96 0.45 0.43 -2.85 -1.26 -5.01 119.74 116.95 3eeb s LYS 131 Ca 0.10 1.58 -0.24 0.00 -1.00 0.00 0.00 55.97 56.42 3eeb s LYS 131 Cb -0.13 -1.95 -0.07 0.00 -2.06 0.00 0.00 37.83 33.61 3eeb s LYS 131 CO -0.28 -1.16 1.21 -1.25 0.10 0.00 0.00 175.35 173.98 3eeb s PRO 132 N -3.65 3.76 -0.07 1.78 0.04 -1.26 -4.53 135.00 131.07 3eeb s PRO 132 Ca 0.72 1.91 0.06 0.00 0.04 0.00 0.00 61.00 63.73 3eeb s PRO 132 Cb -0.24 -2.49 -0.24 0.00 0.04 0.00 0.00 34.50 31.57 3eeb s PRO 132 CO 0.35 -0.59 0.56 -0.25 0.04 0.00 0.00 177.00 177.12 3eeb n ASP 133 N -0.36 1.27 -3.98 6.66 10.43 -0.19 -4.83 116.55 125.56 3eeb n ASP 133 Ca 0.07 0.35 -0.16 0.00 2.57 0.00 0.00 54.79 57.61 3eeb n ASP 133 Cb 0.47 -0.32 -0.14 0.00 1.84 0.00 0.00 41.12 42.97 3eeb n ASP 133 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 3eeb s HIS 134 N -2.58 0.54 -0.19 1.24 2.46 -1.21 -2.16 115.29 113.40 3eeb s HIS 134 Ca -0.10 -0.12 0.01 0.00 0.47 0.00 0.00 55.06 55.31 3eeb s HIS 134 Cb 0.08 -0.35 0.02 0.00 -0.13 0.00 0.00 32.58 32.20 3eeb s HIS 134 CO 0.81 -0.01 -0.18 0.42 -2.47 0.00 0.00 174.74 173.30 3eeb s ILE 135 N -0.22 2.18 -0.27 0.89 1.01 -0.09 -1.59 121.20 123.10 3eeb s ILE 135 Ca 0.02 -0.93 -0.13 0.00 0.00 0.00 0.00 60.65 59.60 3eeb s ILE 135 Cb -0.03 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.46 3eeb s ILE 135 CO -0.00 0.50 0.31 -0.55 0.00 0.00 0.00 174.94 175.20 3eeb s SER 136 N 1.30 6.17 -0.49 3.58 0.15 0.38 -1.20 113.70 123.58 3eeb s SER 136 Ca 0.04 0.18 -0.23 0.00 0.70 0.00 0.00 55.95 56.64 3eeb s SER 136 Cb -0.13 -2.18 0.03 0.00 -1.71 0.00 0.00 66.02 62.03 3eeb s SER 136 CO -0.12 -0.14 0.84 -0.63 1.20 0.00 0.00 173.24 174.39 3eeb s ILE 137 N 1.96 4.56 -1.15 6.45 1.01 0.15 -1.07 121.20 133.10 3eeb s ILE 137 Ca 0.12 0.31 -0.07 0.00 0.00 0.00 0.00 60.65 61.00 3eeb s ILE 137 Cb -0.16 -4.41 0.25 0.00 0.01 0.00 0.00 42.46 38.16 3eeb s ILE 137 CO 0.10 -0.88 1.50 0.52 0.00 0.00 0.00 174.94 176.18 3eeb n VAL 138 N 6.13 4.83 -3.75 2.92 0.31 0.53 -4.50 118.33 124.81 3eeb n VAL 138 Ca 0.02 -5.33 -0.10 0.00 -0.01 0.00 0.00 64.34 58.92 3eeb n VAL 138 Cb 0.48 -2.29 -0.06 0.00 -0.91 0.00 0.00 33.84 31.06 3eeb n VAL 138 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3eeb s GLY 139 N -0.01 -0.09 0.22 2.92 0.00 -1.26 -2.89 107.32 106.20 3eeb s GLY 139 Ca 0.34 -0.29 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 3eeb s GLY 139 CO 0.03 -0.52 1.44 0.00 0.00 0.00 0.00 173.10 174.05 3eeb n SER 141 N 2.70 -4.84 -1.00 0.00 7.64 0.43 -4.36 113.62 114.18 3eeb n SER 141 Ca 0.08 -1.11 0.02 0.00 1.01 0.00 0.00 58.87 58.86 3eeb n SER 141 Cb 0.40 -2.48 0.22 0.00 -1.01 0.00 0.00 64.21 61.34 3eeb n SER 141 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3eeb n LEU 142 N -4.34 3.98 -3.81 -3.43 7.99 0.23 -0.67 117.00 116.95 3eeb n LEU 142 Ca -0.12 -3.40 -0.11 0.00 -0.01 0.00 0.00 56.01 52.37 3eeb n LEU 142 Cb 0.59 -0.59 -0.08 0.00 -0.11 0.00 0.00 43.42 43.23 3eeb n LEU 142 CO 0.70 0.97 -0.05 0.54 -1.51 0.00 0.00 177.39 178.03 3eeb s VAL 143 N -3.05 0.10 0.77 4.08 0.11 -1.18 -0.40 120.40 120.83 3eeb s VAL 143 Ca 0.43 -0.80 -0.13 0.00 -2.93 0.00 0.00 61.98 58.55 3eeb s VAL 143 Cb 0.37 -0.91 0.06 0.00 -1.53 0.00 0.00 36.38 34.38 3eeb s VAL 143 CO 0.04 -0.44 1.17 -0.94 -3.33 0.00 0.00 175.10 171.60 3eeb s SER 144 N -2.05 4.05 0.27 3.54 1.04 -0.20 -4.34 113.70 116.02 3eeb s SER 144 Ca -0.05 2.23 -0.02 0.00 0.48 0.00 0.00 55.95 58.59 3eeb s SER 144 Cb -0.01 -2.57 0.44 0.00 0.10 0.00 0.00 66.02 63.98 3eeb s SER 144 CO -0.03 -2.35 1.89 0.44 0.98 0.00 0.00 173.24 174.16 3eeb h ASP 145 N -0.69 1.01 -0.00 7.02 3.45 -1.87 0.67 116.42 126.02 3eeb h ASP 145 Ca -0.46 0.01 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3eeb h ASP 145 Cb 1.28 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.84 3eeb h ASP 145 CO 0.49 0.64 0.00 -0.90 -1.57 0.00 0.00 179.24 177.90 3eeb n ASP 146 N -4.50 0.09 -0.63 6.45 5.68 -1.26 -4.90 116.55 117.47 3eeb n ASP 146 Ca 0.15 -1.08 -0.08 0.00 -0.50 0.00 0.00 54.79 53.28 3eeb n ASP 146 Cb 0.20 -0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.14 3eeb n ASP 146 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3eeb n LYS 147 N -0.91 -0.80 -0.01 0.11 4.76 0.23 -4.87 118.16 116.67 3eeb n LYS 147 Ca 0.23 0.73 0.07 0.00 -2.87 0.00 0.00 58.31 56.47 3eeb n LYS 147 Cb 0.12 -4.64 -0.10 0.00 -1.84 0.00 0.00 35.03 28.56 3eeb n LYS 147 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 3eeb n GLN 148 N -2.30 0.45 -4.30 1.97 1.13 -1.26 -4.90 117.38 108.16 3eeb n GLN 148 Ca -0.08 -0.12 -0.21 0.00 -1.94 0.00 0.00 57.00 54.64 3eeb n GLN 148 Cb 0.33 -1.31 -0.08 0.00 0.11 0.00 0.00 30.24 29.29 3eeb n GLN 148 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3eeb n LYS 149 N -1.95 0.46 0.00 -1.09 5.02 -1.26 -4.96 118.16 114.38 3eeb n LYS 149 Ca -0.02 -3.39 0.00 0.00 -2.02 0.00 0.00 58.31 52.88 3eeb n LYS 149 Cb 0.34 2.47 0.00 0.00 -0.02 0.00 0.00 35.03 37.83 3eeb n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3eeb n GLY 150 N -0.71 -1.63 0.22 0.72 0.00 -1.26 -1.03 105.19 101.50 3eeb n GLY 150 Ca 0.03 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.97 3eeb n GLY 150 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3eeb h PHE 151 N 0.00 -0.29 -0.82 1.61 3.04 -1.71 -1.89 116.94 116.88 3eeb h PHE 151 Ca 0.00 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.00 3eeb h PHE 151 Cb 0.00 0.21 -0.04 0.00 2.56 0.00 0.00 35.95 38.68 3eeb h PHE 151 CO 0.00 -0.24 0.53 0.78 -2.02 0.00 0.00 178.31 177.36 3eeb h GLY 152 N 0.00 1.16 0.94 2.40 0.00 -1.00 0.29 103.07 106.86 3eeb h GLY 152 Ca 0.27 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.08 3eeb h GLY 152 CO -0.58 0.44 -0.05 0.45 0.00 0.00 0.00 176.54 176.80 3eeb h HIS 153 N 1.12 0.75 -0.30 5.60 3.86 -1.60 -1.34 115.15 123.23 3eeb h HIS 153 Ca 0.30 -0.15 -0.11 0.00 -1.16 0.00 0.00 60.37 59.25 3eeb h HIS 153 Cb -0.11 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.16 3eeb h HIS 153 CO 0.00 0.81 -0.25 1.96 0.86 0.00 0.00 177.93 181.31 3eeb h GLN 154 N 0.47 0.59 0.50 2.45 4.20 -0.96 -2.97 115.11 119.39 3eeb h GLN 154 Ca 0.10 -0.23 -0.02 0.00 0.06 0.00 0.00 58.65 58.55 3eeb h GLN 154 Cb 0.55 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3eeb h GLN 154 CO 0.03 0.79 -0.24 0.35 -0.67 0.00 0.00 178.83 179.09 3eeb h PHE 155 N 0.52 -0.62 -0.98 2.96 3.57 -0.36 -0.24 116.94 121.79 3eeb h PHE 155 Ca 0.07 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3eeb h PHE 155 Cb 0.71 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 39.58 3eeb h PHE 155 CO 0.03 -0.31 0.63 0.97 -2.23 0.00 0.00 178.31 177.39 3eeb h ILE 156 N -0.86 1.03 -0.29 1.41 2.10 -1.26 0.30 117.51 119.94 3eeb h ILE 156 Ca -0.07 -0.38 -0.15 0.00 1.08 0.00 0.00 64.86 65.34 3eeb h ILE 156 Cb 0.59 -0.16 -0.00 0.00 -1.09 0.00 0.00 36.82 36.16 3eeb h ILE 156 CO 0.11 0.20 -0.41 0.78 -1.08 0.00 0.00 178.15 177.75 3eeb h ASN 157 N 1.10 0.86 -0.61 2.19 2.35 -1.56 -2.71 115.58 117.20 3eeb h ASN 157 Ca 0.44 -0.51 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 3eeb h ASN 157 Cb 0.26 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3eeb h ASN 157 CO -0.20 1.20 0.29 0.00 -1.65 0.00 0.00 177.43 177.07 3eeb h ALA 158 N 0.68 1.32 -0.53 -0.83 0.00 0.07 0.14 119.26 120.11 3eeb h ALA 158 Ca 0.03 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3eeb h ALA 158 Cb 1.01 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 3eeb h ALA 158 CO 0.10 0.52 0.26 0.52 0.00 0.00 0.00 179.25 180.64 3eeb h MET 159 N 0.90 0.76 -0.77 0.00 2.86 -0.41 -1.24 114.93 117.04 3eeb h MET 159 Ca 0.22 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3eeb h MET 159 Cb 0.11 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 3eeb h MET 159 CO -0.03 0.63 0.31 0.22 1.06 0.00 0.00 176.91 179.10 3eeb h ASP 160 N 0.71 1.05 0.76 1.22 3.58 -1.10 0.10 116.42 122.75 3eeb h ASP 160 Ca 0.18 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.46 3eeb h ASP 160 Cb 0.12 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 40.89 3eeb h ASP 160 CO -0.02 0.93 0.00 0.00 -2.88 0.00 0.00 179.24 177.27 3eeb h ALA 161 N 1.16 1.00 -0.58 -0.78 0.00 -0.45 -1.41 119.26 118.20 3eeb h ALA 161 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3eeb h ALA 161 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3eeb h ALA 161 CO -0.02 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.32 3eeb n ASN 162 N -3.04 5.06 0.00 0.00 3.02 -0.52 -4.96 115.26 114.83 3eeb n ASN 162 Ca -0.00 -2.68 0.00 0.00 -0.03 0.00 0.00 54.58 51.87 3eeb n ASN 162 Cb 0.24 -0.61 0.00 0.00 -0.61 0.00 0.00 39.78 38.80 3eeb n ASN 162 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eeb n GLY 163 N 0.78 0.77 2.87 7.41 0.00 -0.53 -4.92 105.19 111.57 3eeb n GLY 163 Ca 0.26 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 3eeb n GLY 163 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3eeb s LEU 164 N 0.00 3.13 -0.32 0.99 1.43 0.32 -4.98 118.68 119.25 3eeb s LEU 164 Ca 0.00 -1.69 -0.18 0.00 -1.03 0.00 0.00 54.13 51.23 3eeb s LEU 164 Cb 0.00 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 3eeb s LEU 164 CO 0.00 -0.36 0.52 -0.60 0.23 0.00 0.00 176.35 176.14 3eeb s ARG 165 N 1.33 3.77 0.05 1.70 3.52 -1.26 -2.16 118.95 125.91 3eeb s ARG 165 Ca 0.07 0.01 -0.04 0.00 -0.13 0.00 0.00 55.73 55.64 3eeb s ARG 165 Cb -0.18 -3.76 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 3eeb s ARG 165 CO -0.15 -0.55 0.05 0.14 -0.81 0.00 0.00 175.30 173.97 3eeb s VAL 166 N 2.39 0.18 0.49 7.11 -7.23 -1.26 -4.95 120.40 117.12 3eeb s VAL 166 Ca 0.20 -1.46 -0.14 0.00 -1.81 0.00 0.00 61.98 58.76 3eeb s VAL 166 Cb -0.15 -1.27 -0.07 0.00 0.56 0.00 0.00 36.38 35.44 3eeb s VAL 166 CO 0.12 -0.81 0.93 -1.81 -0.31 0.00 0.00 175.10 173.22 3eeb s ASP 167 N -2.65 6.57 -0.05 4.85 -0.00 -0.92 -4.83 116.67 119.65 3eeb s ASP 167 Ca 0.03 1.44 -0.00 0.00 -0.00 0.00 0.00 52.55 54.01 3eeb s ASP 167 Cb 0.04 -2.46 0.03 0.00 -0.00 0.00 0.00 42.92 40.53 3eeb s ASP 167 CO -0.09 -0.56 -0.00 -0.69 -0.00 0.00 0.00 175.17 173.84 3eeb s VAL 168 N -2.60 0.28 -0.01 -1.27 1.01 0.14 -0.92 120.40 117.04 3eeb s VAL 168 Ca 0.57 0.09 -0.01 0.00 0.00 0.00 0.00 61.98 62.63 3eeb s VAL 168 Cb -0.10 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.84 3eeb s VAL 168 CO 0.33 0.20 0.09 -0.94 0.00 0.00 0.00 175.10 174.78 3eeb s SER 169 N 1.44 5.73 -0.24 3.32 1.04 -0.34 0.08 113.70 124.72 3eeb s SER 169 Ca -0.04 0.17 -0.26 0.00 0.48 0.00 0.00 55.95 56.30 3eeb s SER 169 Cb -0.13 -1.66 0.10 0.00 0.10 0.00 0.00 66.02 64.43 3eeb s SER 169 CO -0.03 0.28 0.90 0.54 0.98 0.00 0.00 173.24 175.91 3eeb s VAL 170 N -1.19 0.00 -0.04 5.02 0.11 -0.82 -0.68 120.40 122.81 3eeb s VAL 170 Ca 0.23 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.29 3eeb s VAL 170 Cb -0.12 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.70 3eeb s VAL 170 CO 0.14 0.00 -0.05 -0.13 -3.33 0.00 0.00 175.10 171.72 3eeb s ARG 171 N -0.01 2.70 0.00 1.54 3.00 -1.26 -1.53 118.95 123.39 3eeb s ARG 171 Ca 0.00 -0.61 0.25 0.00 0.00 0.00 0.00 55.73 55.38 3eeb s ARG 171 Cb -0.04 -2.59 0.60 0.00 0.00 0.00 0.00 34.95 32.93 3eeb s ARG 171 CO -0.01 0.64 1.49 -1.13 0.00 0.00 0.00 175.30 176.29 3eeb n SER 172 N 1.87 2.35 -4.48 0.23 3.41 -0.10 -0.60 113.62 116.30 3eeb n SER 172 Ca -0.17 -1.78 -0.26 0.00 -0.26 0.00 0.00 58.87 56.40 3eeb n SER 172 Cb 0.53 -0.05 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 3eeb n SER 172 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3eeb s SER 173 N -1.88 3.16 0.64 4.04 1.04 -1.26 -4.47 113.70 114.97 3eeb s SER 173 Ca 0.34 -1.49 -0.18 0.00 0.48 0.00 0.00 55.95 55.09 3eeb s SER 173 Cb 0.20 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 3eeb s SER 173 CO 0.31 -0.69 1.30 -1.61 0.98 0.00 0.00 173.24 173.53 3eeb s GLU 174 N -3.81 2.60 -0.00 4.02 2.02 -1.26 -0.43 118.70 121.84 3eeb s GLU 174 Ca 0.27 2.07 -0.00 0.00 0.02 0.00 0.00 54.97 57.33 3eeb s GLU 174 Cb 0.06 -1.87 -0.00 0.00 0.10 0.00 0.00 34.13 32.42 3eeb s GLU 174 CO 0.13 -1.56 0.01 -1.17 0.02 0.00 0.00 175.26 172.69 3eeb s LEU 175 N -4.30 1.98 0.10 1.80 2.96 -1.26 -1.92 118.68 118.04 3eeb s LEU 175 Ca 0.82 -0.03 -0.03 0.00 -0.22 0.00 0.00 54.13 54.67 3eeb s LEU 175 Cb -0.37 0.05 -0.03 0.00 0.50 0.00 0.00 46.19 46.33 3eeb s LEU 175 CO 0.40 -0.03 0.07 0.00 -1.32 0.00 0.00 176.35 175.46 3eeb s ALA 176 N -0.13 0.47 -0.13 5.97 0.00 -0.14 -4.75 121.76 123.05 3eeb s ALA 176 Ca -0.02 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.78 3eeb s ALA 176 Cb -0.01 0.58 0.01 0.00 0.00 0.00 0.00 23.12 23.70 3eeb s ALA 176 CO -0.00 -0.46 -0.20 0.08 0.00 0.00 0.00 175.76 175.18 3eeb s VAL 177 N -3.96 1.87 0.84 0.00 1.01 -1.26 -0.75 120.40 118.15 3eeb s VAL 177 Ca 0.14 -0.86 -0.14 0.00 0.00 0.00 0.00 61.98 61.11 3eeb s VAL 177 Cb 0.07 -1.67 0.20 0.00 0.00 0.00 0.00 36.38 34.97 3eeb s VAL 177 CO -0.05 0.51 1.07 -0.90 0.00 0.00 0.00 175.10 175.73 3eeb n ASP 178 N 4.13 -0.23 0.14 3.32 5.68 -0.13 -4.88 116.55 124.57 3eeb n ASP 178 Ca -0.20 -1.34 0.11 0.00 -0.50 0.00 0.00 54.79 52.87 3eeb n ASP 178 Cb 0.51 -0.84 0.51 0.00 -1.14 0.00 0.00 41.12 40.17 3eeb n ASP 178 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3eeb n GLU 179 N -3.47 0.17 -0.09 0.11 -0.58 -1.26 -1.98 120.64 113.54 3eeb n GLU 179 Ca 0.14 0.50 0.12 0.00 -0.42 0.00 0.00 57.16 57.49 3eeb n GLU 179 Cb 0.48 -1.89 0.29 0.00 -0.57 0.00 0.00 31.44 29.75 3eeb n GLU 179 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3eeb n ALA 180 N -1.77 2.49 -1.07 0.62 0.00 -1.26 -4.93 120.51 114.59 3eeb n ALA 180 Ca 0.01 -0.69 -0.02 0.00 0.00 0.00 0.00 53.44 52.74 3eeb n ALA 180 Cb 0.16 -0.98 -0.01 0.00 0.00 0.00 0.00 19.45 18.62 3eeb n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3eeb n GLY 181 N 1.30 0.56 3.91 0.00 0.00 -0.84 -4.42 105.19 105.70 3eeb n GLY 181 Ca 0.17 -0.91 -0.32 0.00 0.00 0.00 0.00 46.02 44.95 3eeb n GLY 181 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3eeb s ARG 182 N -2.08 3.47 -0.03 1.61 0.52 -1.26 -4.60 118.95 116.57 3eeb s ARG 182 Ca 0.00 -0.32 -0.13 0.00 -0.52 0.00 0.00 55.73 54.76 3eeb s ARG 182 Cb 0.00 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 3eeb s ARG 182 CO 0.00 0.63 0.35 0.15 0.02 0.00 0.00 175.30 176.45 3eeb s LYS 183 N -2.17 3.83 0.03 3.54 1.02 -1.26 -0.96 119.74 123.76 3eeb s LYS 183 Ca 0.31 0.29 0.09 0.00 0.02 0.00 0.00 55.97 56.68 3eeb s LYS 183 Cb -0.13 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 33.94 3eeb s LYS 183 CO 0.22 0.69 -0.26 -1.01 -0.92 0.00 0.00 175.35 174.08 3eeb s HIS 184 N -1.01 2.30 0.16 3.18 3.76 0.07 -4.50 115.29 119.25 3eeb s HIS 184 Ca 0.22 -0.42 0.11 0.00 -0.15 0.00 0.00 55.06 54.82 3eeb s HIS 184 Cb -0.16 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 3eeb s HIS 184 CO 0.11 0.08 -0.26 0.95 -0.85 0.00 0.00 174.74 174.77 3eeb s THR 185 N -0.75 2.30 -0.04 1.30 -4.23 -0.17 -0.97 115.64 113.08 3eeb s THR 185 Ca 0.11 -1.88 -0.29 0.00 -1.18 0.00 0.00 61.69 58.45 3eeb s THR 185 Cb -0.10 -2.06 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 3eeb s THR 185 CO 0.01 -0.00 0.95 -0.54 -0.54 0.00 0.00 174.62 174.50 3eeb s LYS 186 N -2.33 4.50 1.06 3.99 1.02 -0.81 -0.59 119.74 126.58 3eeb s LYS 186 Ca 0.17 1.33 -0.16 0.00 0.02 0.00 0.00 55.97 57.33 3eeb s LYS 186 Cb -0.09 -3.48 0.22 0.00 -0.52 0.00 0.00 37.83 33.96 3eeb s LYS 186 CO 0.08 -0.11 1.15 0.16 -0.92 0.00 0.00 175.35 175.70 3eeb s ASP 187 N 1.01 2.18 0.49 2.83 1.47 -0.03 -4.60 116.67 120.03 3eeb s ASP 187 Ca 0.49 0.76 0.29 0.00 1.18 0.00 0.00 52.55 55.26 3eeb s ASP 187 Cb -0.20 -1.13 1.37 0.00 -0.34 0.00 0.00 42.92 42.62 3eeb s ASP 187 CO 0.24 -3.36 1.82 0.00 0.68 0.00 0.00 175.17 174.54 3eeb h ALA 188 N -2.06 2.73 -0.51 2.11 0.00 -1.97 -0.55 119.26 119.01 3eeb h ALA 188 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3eeb h ALA 188 Cb 1.30 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.15 3eeb h ALA 188 CO 0.46 -1.06 0.00 0.09 0.00 0.00 0.00 179.25 178.74 3eeb n ASN 189 N -4.36 3.50 0.00 0.00 3.02 -1.26 -4.98 115.26 111.18 3eeb n ASN 189 Ca 0.23 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 3eeb n ASN 189 Cb 1.03 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 39.87 3eeb n ASN 189 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3eeb n GLY 190 N 1.34 0.95 3.77 7.41 0.00 -0.21 -5.10 105.19 113.34 3eeb n GLY 190 Ca 0.19 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3eeb n GLY 190 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3eeb s ASP 191 N -2.05 5.65 -0.03 1.61 1.11 -1.26 -4.81 116.67 116.90 3eeb s ASP 191 Ca 0.00 0.20 -0.30 0.00 0.18 0.00 0.00 52.55 52.63 3eeb s ASP 191 Cb 0.00 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.30 3eeb s ASP 191 CO 0.00 0.33 1.13 0.26 1.18 0.00 0.00 175.17 178.07 3eeb s TRP 192 N -1.06 3.39 0.25 4.23 0.52 -1.26 -0.85 118.94 124.16 3eeb s TRP 192 Ca 0.18 1.39 0.02 0.00 0.02 0.00 0.00 56.10 57.71 3eeb s TRP 192 Cb -0.12 -3.33 -0.05 0.00 -1.15 0.00 0.00 33.47 28.82 3eeb s TRP 192 CO 0.08 -0.88 0.05 0.14 0.02 0.00 0.00 176.95 176.36 3eeb s VAL 193 N 1.68 0.81 0.10 4.03 -7.23 0.24 -4.96 120.40 115.07 3eeb s VAL 193 Ca 0.55 -2.01 0.10 0.00 -1.81 0.00 0.00 61.98 58.80 3eeb s VAL 193 Cb -0.24 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 3eeb s VAL 193 CO 0.24 -0.16 -0.24 -1.10 -0.31 0.00 0.00 175.10 173.53 3eeb s GLN 194 N -3.95 1.37 -1.45 4.82 -0.21 -1.26 -1.00 119.66 117.99 3eeb s GLN 194 Ca 0.33 -1.22 -0.06 0.00 0.02 0.00 0.00 55.36 54.43 3eeb s GLN 194 Cb 0.07 -1.72 0.03 0.00 1.00 0.00 0.00 33.01 32.39 3eeb s GLN 194 CO 0.11 0.41 0.52 1.63 -2.12 0.00 0.00 175.29 175.85 3eeb n LYS 195 N 1.17 -4.19 -2.65 2.91 4.76 -1.26 -4.90 118.16 114.00 3eeb n LYS 195 Ca -0.18 0.75 -0.42 0.00 -2.87 0.00 0.00 58.31 55.59 3eeb n LYS 195 Cb 0.53 -5.54 -0.03 0.00 -1.84 0.00 0.00 35.03 28.15 3eeb n LYS 195 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3eeb s ALA 196 N -3.07 2.88 0.36 7.82 0.00 -1.26 -4.82 121.76 123.67 3eeb s ALA 196 Ca 0.31 -2.18 0.37 0.00 0.00 0.00 0.00 51.96 50.46 3eeb s ALA 196 Cb -0.15 -4.34 1.79 0.00 0.00 0.00 0.00 23.12 20.42 3eeb s ALA 196 CO 0.39 -3.37 2.15 0.93 0.00 0.00 0.00 175.76 175.85 3eeb h GLU 197 N 9.63 0.00 0.00 0.00 4.39 -1.92 -0.64 114.58 126.04 3eeb h GLU 197 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 3eeb h GLU 197 Cb 1.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3eeb h GLU 197 CO 1.32 0.02 0.00 0.27 -1.16 0.00 0.00 179.01 179.46 3eeb n ASN 198 N -3.17 0.42 -0.88 1.42 6.94 -1.26 -2.33 115.26 116.40 3eeb n ASN 198 Ca -0.01 0.63 0.12 0.00 -0.02 0.00 0.00 54.58 55.31 3eeb n ASN 198 Cb 0.21 -0.71 0.20 0.00 -2.36 0.00 0.00 39.78 37.12 3eeb n ASN 198 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3eeb n ASN 199 N -1.99 2.73 -4.05 0.53 3.02 -0.25 -4.93 115.26 110.32 3eeb n ASN 199 Ca 0.01 -1.90 -0.09 0.00 -0.03 0.00 0.00 54.58 52.57 3eeb n ASN 199 Cb 0.14 -0.03 -0.11 0.00 -0.61 0.00 0.00 39.78 39.17 3eeb n ASN 199 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3eeb s LYS 200 N -1.94 0.49 0.01 3.52 2.20 -0.98 -0.92 119.74 122.11 3eeb s LYS 200 Ca 0.31 -0.91 -0.00 0.00 -0.36 0.00 0.00 55.97 55.01 3eeb s LYS 200 Cb 0.20 0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 3eeb s LYS 200 CO 0.31 -0.05 -0.00 0.54 -0.36 0.00 0.00 175.35 175.78 3eeb s VAL 201 N -2.48 0.05 -0.20 4.02 0.11 -0.58 -4.94 120.40 116.37 3eeb s VAL 201 Ca -0.05 -0.39 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 3eeb s VAL 201 Cb -0.03 -0.13 -0.02 0.00 -1.53 0.00 0.00 36.38 34.67 3eeb s VAL 201 CO -0.04 -0.22 -0.01 -0.44 -3.33 0.00 0.00 175.10 171.06 3eeb s SER 202 N -0.63 4.69 -0.18 3.54 0.01 -1.26 -1.94 113.70 117.92 3eeb s SER 202 Ca -0.07 -0.25 -0.07 0.00 1.31 0.00 0.00 55.95 56.87 3eeb s SER 202 Cb -0.04 -1.80 -0.04 0.00 0.21 0.00 0.00 66.02 64.35 3eeb s SER 202 CO -0.00 0.05 0.06 -0.76 0.41 0.00 0.00 173.24 173.00 3eeb s LEU 203 N 1.08 3.81 0.00 2.44 1.43 0.11 -4.95 118.68 122.60 3eeb s LEU 203 Ca 0.02 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.25 3eeb s LEU 203 Cb -0.14 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.10 3eeb s LEU 203 CO 0.01 0.18 0.17 -1.54 0.23 0.00 0.00 176.35 175.40 3eeb n SER 204 N 3.48 0.47 -0.19 2.29 3.41 -1.26 -0.68 113.62 121.13 3eeb n SER 204 Ca -0.17 -2.84 0.02 0.00 -0.26 0.00 0.00 58.87 55.63 3eeb n SER 204 Cb 0.52 1.09 0.02 0.00 -0.26 0.00 0.00 64.21 65.58 3eeb n SER 204 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67