#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fln s LYS 2 N 0.00 0.42 -0.17 0.03 1.02 -1.26 -1.11 119.74 118.67 1fln s LYS 2 Ca 0.00 -0.28 0.01 0.00 0.02 0.00 0.00 55.97 55.72 1fln s LYS 2 Cb 0.00 -0.37 0.02 0.00 -0.52 0.00 0.00 37.83 36.97 1fln s LYS 2 CO 0.00 0.10 -0.17 0.42 -0.92 0.00 0.00 175.35 174.77 1fln s ILE 3 N -0.34 1.89 -0.13 2.17 1.01 0.07 -3.63 121.20 122.24 1fln s ILE 3 Ca -0.00 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.77 1fln s ILE 3 Cb -0.03 -1.74 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1fln s ILE 3 CO -0.00 0.48 -0.08 -0.69 0.00 0.00 0.00 174.94 174.64 1fln s VAL 4 N 1.35 3.51 0.22 2.92 1.01 -0.38 0.42 120.40 129.45 1fln s VAL 4 Ca 0.04 -0.51 -0.11 0.00 0.00 0.00 0.00 61.98 61.41 1fln s VAL 4 Cb -0.13 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 1fln s VAL 4 CO -0.12 0.53 0.39 -0.72 0.00 0.00 0.00 175.10 175.18 1fln s TYR 5 N 0.10 0.44 -0.02 5.22 1.13 -0.75 -1.43 117.35 122.04 1fln s TYR 5 Ca -0.03 -0.79 0.04 0.00 -1.41 0.00 0.00 57.07 54.88 1fln s TYR 5 Cb -0.14 0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 1fln s TYR 5 CO 0.04 -0.88 -0.13 -0.46 -2.51 0.00 0.00 175.55 171.61 1fln s TRP 6 N -4.02 1.22 -0.11 -3.49 -0.00 -0.65 -0.18 118.94 111.72 1fln s TRP 6 Ca 0.22 -0.27 -0.06 0.00 -0.00 0.00 0.00 56.10 56.00 1fln s TRP 6 Cb 0.01 -0.81 0.04 0.00 -0.00 0.00 0.00 33.47 32.72 1fln s TRP 6 CO 0.06 -0.06 0.25 0.45 -0.00 0.00 0.00 176.95 177.66 1fln s SER 7 N -0.15 -0.27 -0.09 5.86 0.15 -1.26 -3.94 113.70 114.00 1fln s SER 7 Ca 0.02 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.28 1fln s SER 7 Cb -0.07 0.43 -0.24 0.00 -1.71 0.00 0.00 66.02 64.43 1fln s SER 7 CO 0.00 -0.16 0.48 0.61 1.20 0.00 0.00 173.24 175.37 1fln n GLY 8 N 4.06 -0.86 0.00 9.45 0.00 -1.26 -4.56 105.19 112.02 1fln n GLY 8 Ca -0.24 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.64 1fln n GLY 8 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1fln n THR 9 N -3.13 0.00 0.00 2.61 -2.24 -1.26 -5.02 114.28 105.24 1fln n THR 9 Ca -0.24 -0.44 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1fln n THR 9 Cb 1.06 1.04 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 1fln n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fln n GLY 10 N 0.59 0.75 0.06 3.38 0.00 -1.26 -5.02 105.19 103.70 1fln n GLY 10 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fln n GLY 10 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1fln h ASN 11 N 0.00 -0.03 0.32 1.61 -0.26 -1.94 -1.23 115.58 114.05 1fln h ASN 11 Ca 0.00 -0.35 -0.10 0.00 -0.56 0.00 0.00 56.30 55.28 1fln h ASN 11 Cb 0.00 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 1fln h ASN 11 CO 0.00 0.34 -0.44 0.74 -1.06 0.00 0.00 177.43 177.01 1fln h THR 12 N -0.41 1.32 -0.67 2.81 2.02 -1.90 -2.33 112.91 113.76 1fln h THR 12 Ca -0.00 -1.56 -0.05 0.00 0.77 0.00 0.00 66.41 65.57 1fln h THR 12 Cb 0.38 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.52 1fln h THR 12 CO 0.01 0.46 0.24 -0.08 0.37 0.00 0.00 175.52 176.51 1fln h GLU 13 N 0.13 1.02 -0.54 6.66 4.81 -1.82 -0.51 114.58 124.32 1fln h GLU 13 Ca 0.01 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 58.97 1fln h GLU 13 Cb 0.83 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1fln h GLU 13 CO 0.06 0.87 0.08 -0.22 -0.73 0.00 0.00 179.01 179.07 1fln h LYS 14 N 0.96 0.90 -0.58 1.92 1.63 -1.00 -1.96 116.57 118.44 1fln h LYS 14 Ca 0.22 -0.25 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1fln h LYS 14 Cb 0.25 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 1fln h LYS 14 CO -0.01 0.88 0.35 0.52 -3.45 0.00 0.00 179.45 177.73 1fln h MET 15 N 0.78 0.66 -0.52 1.90 2.86 -0.94 -1.83 114.93 117.85 1fln h MET 15 Ca 0.16 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 1fln h MET 15 Cb 0.42 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 1fln h MET 15 CO 0.01 0.44 0.27 0.00 1.06 0.00 0.00 176.91 178.70 1fln h ALA 16 N 1.26 0.66 -0.87 6.32 0.00 -0.76 0.25 119.26 126.13 1fln h ALA 16 Ca 0.24 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1fln h ALA 16 Cb 0.04 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1fln h ALA 16 CO -0.11 -0.06 0.54 0.93 0.00 0.00 0.00 179.25 180.55 1fln h GLU 17 N 0.54 1.18 -0.30 0.00 5.08 -0.80 -0.32 114.58 119.95 1fln h GLU 17 Ca 0.22 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1fln h GLU 17 Cb 0.11 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1fln h GLU 17 CO -0.14 0.81 -0.43 -0.07 -1.00 0.00 0.00 179.01 178.18 1fln h LEU 18 N 1.20 0.82 -0.55 1.33 3.38 -0.83 0.08 115.31 120.73 1fln h LEU 18 Ca 0.32 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 1fln h LEU 18 Cb -0.07 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1fln h LEU 18 CO -0.06 1.13 0.10 0.40 0.09 0.00 0.00 178.44 180.10 1fln h ILE 19 N 0.61 1.25 -0.65 1.22 2.04 -0.73 -1.86 117.51 119.39 1fln h ILE 19 Ca 0.04 -0.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 1fln h ILE 19 Cb 0.99 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.84 1fln h ILE 19 CO 0.09 0.34 0.33 0.00 0.00 0.00 0.00 178.15 178.91 1fln h ALA 20 N 1.00 0.84 -0.89 1.87 0.00 -0.85 -1.95 119.26 119.27 1fln h ALA 20 Ca 0.17 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 55.02 1fln h ALA 20 Cb 0.39 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 1fln h ALA 20 CO 0.01 0.39 0.55 -0.22 0.00 0.00 0.00 179.25 179.98 1fln h LYS 21 N 0.90 0.96 -0.77 0.00 3.64 -0.60 0.09 116.57 120.78 1fln h LYS 21 Ca 0.23 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1fln h LYS 21 Cb 0.09 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1fln h LYS 21 CO -0.03 0.63 0.28 0.78 -2.27 0.00 0.00 179.45 178.84 1fln h GLY 22 N 0.99 1.25 0.92 5.01 0.00 -0.62 0.12 103.07 110.75 1fln h GLY 22 Ca 0.40 -0.71 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1fln h GLY 22 CO -0.19 0.66 -0.06 -2.22 0.00 0.00 0.00 176.54 174.73 1fln h ILE 23 N 1.13 1.27 -0.46 2.60 2.04 -0.74 -2.21 117.51 121.14 1fln h ILE 23 Ca 0.25 -1.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1fln h ILE 23 Cb 0.25 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1fln h ILE 23 CO -0.02 0.36 0.24 0.40 0.00 0.00 0.00 178.15 179.13 1fln h ILE 24 N 0.44 1.17 0.00 -0.67 2.04 -0.72 -1.73 117.51 118.04 1fln h ILE 24 Ca 0.09 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1fln h ILE 24 Cb 0.55 0.64 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 1fln h ILE 24 CO 0.03 0.19 -0.03 -0.33 0.00 0.00 0.00 178.15 178.01 1fln h GLU 25 N 0.61 0.00 0.00 2.37 5.08 -0.58 0.36 114.58 122.41 1fln h GLU 25 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1fln h GLU 25 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1fln h GLU 25 CO -0.02 0.03 0.00 0.43 -1.00 0.00 0.00 179.01 178.44 1fln n SER 26 N -4.03 0.00 0.00 1.42 7.64 -0.69 -4.88 113.62 113.08 1fln n SER 26 Ca -0.03 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.54 1fln n SER 26 Cb 0.11 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1fln n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fln n GLY 27 N 0.74 0.82 3.71 0.23 0.00 0.13 -5.09 105.19 105.74 1fln n GLY 27 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 1fln n GLY 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fln s LYS 28 N -0.83 2.56 0.29 1.61 1.02 -0.96 -5.01 119.74 118.42 1fln s LYS 28 Ca 0.00 -1.12 -0.11 0.00 0.02 0.00 0.00 55.97 54.75 1fln s LYS 28 Cb 0.00 -2.40 -0.08 0.00 -0.52 0.00 0.00 37.83 34.83 1fln s LYS 28 CO 0.00 0.43 0.64 0.34 -0.92 0.00 0.00 175.35 175.84 1fln s ASP 29 N -3.29 6.65 -0.13 2.83 2.15 -1.26 -3.41 116.67 120.21 1fln s ASP 29 Ca 0.30 1.06 -0.26 0.00 0.43 0.00 0.00 52.55 54.07 1fln s ASP 29 Cb -0.09 -2.28 0.06 0.00 -0.30 0.00 0.00 42.92 40.32 1fln s ASP 29 CO 0.21 -0.17 0.64 0.54 -0.17 0.00 0.00 175.17 176.22 1fln s VAL 30 N -1.97 0.00 -0.06 1.11 0.11 -1.26 -1.50 120.40 116.83 1fln s VAL 30 Ca 0.50 -0.04 0.05 0.00 -2.93 0.00 0.00 61.98 59.55 1fln s VAL 30 Cb -0.11 -0.94 -0.00 0.00 -1.53 0.00 0.00 36.38 33.80 1fln s VAL 30 CO 0.22 -0.02 -0.20 0.20 -3.33 0.00 0.00 175.10 171.96 1fln s ASN 31 N -0.58 2.54 -0.17 3.54 -0.87 -0.26 -4.91 114.94 114.22 1fln s ASN 31 Ca -0.07 -0.43 -0.12 0.00 -1.57 0.00 0.00 52.86 50.68 1fln s ASN 31 Cb -0.02 -0.84 -0.05 0.00 -0.02 0.00 0.00 41.25 40.32 1fln s ASN 31 CO 0.06 0.17 0.21 0.42 -2.57 0.00 0.00 177.10 175.38 1fln s THR 32 N 0.10 5.36 -0.08 1.60 -4.23 -1.26 -0.75 115.64 116.39 1fln s THR 32 Ca -0.08 0.36 0.01 0.00 -1.18 0.00 0.00 61.69 60.81 1fln s THR 32 Cb -0.14 -3.54 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1fln s THR 32 CO 0.04 0.43 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.82 1fln s ILE 33 N 0.28 1.04 0.38 2.99 1.01 0.17 -4.94 121.20 122.13 1fln s ILE 33 Ca 0.13 -0.39 -0.26 0.00 0.00 0.00 0.00 60.65 60.13 1fln s ILE 33 Cb -0.12 -0.99 -0.09 0.00 0.01 0.00 0.00 42.46 41.27 1fln s ILE 33 CO 0.01 0.34 1.16 0.21 0.00 0.00 0.00 174.94 176.66 1fln s ASN 34 N 0.97 6.68 0.49 3.58 3.84 -1.26 -1.82 114.94 127.43 1fln s ASN 34 Ca -0.09 2.33 0.25 0.00 0.21 0.00 0.00 52.86 55.56 1fln s ASN 34 Cb -0.15 -2.62 1.31 0.00 -0.55 0.00 0.00 41.25 39.25 1fln s ASN 34 CO 0.00 -0.57 1.91 1.62 -2.79 0.00 0.00 177.10 177.27 1fln h VAL 35 N 2.48 0.65 0.00 -5.21 3.04 -0.92 0.31 116.25 116.60 1fln h VAL 35 Ca -0.48 -0.05 -0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1fln h VAL 35 Cb 1.23 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.99 1fln h VAL 35 CO 0.63 0.03 -0.01 0.77 -1.01 0.00 0.00 177.57 177.98 1fln h SER 36 N 0.15 0.00 -0.47 3.17 4.64 -1.90 -2.97 113.55 116.17 1fln h SER 36 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 1fln h SER 36 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 1fln h SER 36 CO -0.06 0.01 0.00 0.47 -0.87 0.00 0.00 176.83 176.38 1fln n ASP 37 N -3.12 3.27 -4.83 4.97 8.00 0.09 -5.03 116.55 119.90 1fln n ASP 37 Ca -0.00 -2.01 -0.33 0.00 0.71 0.00 0.00 54.79 53.16 1fln n ASP 37 Cb 0.25 -0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 1fln n ASP 37 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1fln s VAL 38 N -1.02 4.30 -0.31 2.53 -7.23 -1.13 -4.93 120.40 112.61 1fln s VAL 38 Ca 0.32 1.21 0.01 0.00 -1.81 0.00 0.00 61.98 61.71 1fln s VAL 38 Cb 0.17 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.57 1fln s VAL 38 CO 0.21 -0.52 0.00 0.21 -0.31 0.00 0.00 175.10 174.70 1fln s ASN 39 N -2.69 4.78 0.26 4.85 3.84 -1.26 -5.01 114.94 119.72 1fln s ASN 39 Ca 0.61 -1.57 -0.02 0.00 0.21 0.00 0.00 52.86 52.09 1fln s ASN 39 Cb -0.11 -1.66 0.53 0.00 -0.55 0.00 0.00 41.25 39.45 1fln s ASN 39 CO 0.26 -0.30 1.72 0.40 -2.79 0.00 0.00 177.10 176.39 1fln h ILE 40 N 6.57 0.59 -0.29 -5.21 1.08 -1.98 -1.42 117.51 116.85 1fln h ILE 40 Ca -0.16 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.17 1fln h ILE 40 Cb 1.05 0.14 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1fln h ILE 40 CO 0.53 0.08 0.18 0.44 -0.69 0.00 0.00 178.15 178.69 1fln h ASP 41 N 0.42 0.34 -0.06 1.72 3.32 -1.99 -0.11 116.42 120.05 1fln h ASP 41 Ca 0.45 -0.02 -0.12 0.00 0.02 0.00 0.00 57.03 57.36 1fln h ASP 41 Cb 0.75 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1fln h ASP 41 CO -0.45 0.26 -0.34 -0.33 -1.72 0.00 0.00 179.24 176.66 1fln h GLU 42 N 0.38 0.55 -0.56 3.56 5.08 -1.89 -3.02 114.58 118.68 1fln h GLU 42 Ca 0.10 -0.25 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1fln h GLU 42 Cb -0.02 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1fln h GLU 42 CO -0.02 0.81 0.00 1.25 -1.00 0.00 0.00 179.01 180.05 1fln h LEU 43 N 0.47 0.93 0.00 1.33 5.85 -0.84 -2.72 115.31 120.32 1fln h LEU 43 Ca 0.05 -0.25 0.00 0.00 0.84 0.00 0.00 57.88 58.52 1fln h LEU 43 Cb 0.81 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1fln h LEU 43 CO 0.07 0.98 0.00 0.18 -0.34 0.00 0.00 178.44 179.33 1fln n LEU 44 N -4.19 0.00 0.05 2.25 4.77 -0.09 -1.94 117.00 117.84 1fln n LEU 44 Ca 0.03 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.59 1fln n LEU 44 Cb 0.33 -0.45 0.44 0.00 -2.33 0.00 0.00 43.42 41.41 1fln n LEU 44 CO 0.43 -0.23 0.80 0.59 -1.33 0.00 0.00 177.39 177.65 1fln n ASN 45 N -1.45 0.47 -4.77 -1.43 3.02 -1.02 -4.87 115.26 105.21 1fln n ASN 45 Ca 0.04 0.40 -0.38 0.00 -0.03 0.00 0.00 54.58 54.61 1fln n ASN 45 Cb 0.15 -0.45 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 1fln n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1fln s GLU 46 N -3.06 4.37 0.15 3.52 0.41 -0.82 -4.96 118.70 118.30 1fln s GLU 46 Ca 0.11 1.67 -0.01 0.00 -0.41 0.00 0.00 54.97 56.33 1fln s GLU 46 Cb 0.15 -2.85 -0.05 0.00 -1.78 0.00 0.00 34.13 29.60 1fln s GLU 46 CO 0.60 0.00 1.34 0.22 -0.49 0.00 0.00 175.26 176.93 1fln h ASP 47 N 3.11 0.41 -3.30 -0.19 3.58 -1.89 -3.44 116.42 114.70 1fln h ASP 47 Ca -0.48 -0.33 -0.57 0.00 0.42 0.00 0.00 57.03 56.08 1fln h ASP 47 Cb 1.22 -0.12 -0.34 0.00 1.72 0.00 0.00 39.33 41.80 1fln h ASP 47 CO 0.64 1.13 -0.83 -0.63 -2.88 0.00 0.00 179.24 176.67 1fln s ILE 48 N -3.24 1.41 -0.23 2.25 1.01 -1.26 -3.33 121.20 117.81 1fln s ILE 48 Ca -0.04 -0.60 -0.14 0.00 0.00 0.00 0.00 60.65 59.87 1fln s ILE 48 Cb 0.09 -1.29 -0.04 0.00 0.01 0.00 0.00 42.46 41.23 1fln s ILE 48 CO 0.85 0.42 0.33 -0.76 0.00 0.00 0.00 174.94 175.78 1fln s LEU 49 N 0.94 4.11 -0.32 2.97 1.43 -0.22 -4.69 118.68 122.90 1fln s LEU 49 Ca -0.08 0.34 -0.06 0.00 -1.03 0.00 0.00 54.13 53.29 1fln s LEU 49 Cb -0.15 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.72 1fln s LEU 49 CO -0.00 -0.07 0.09 -0.63 0.23 0.00 0.00 176.35 175.97 1fln s ILE 50 N 1.47 3.82 -0.06 -0.59 1.01 -1.24 -0.86 121.20 124.74 1fln s ILE 50 Ca 0.15 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.85 1fln s ILE 50 Cb -0.15 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 1fln s ILE 50 CO 0.08 -0.10 -0.24 -0.76 0.00 0.00 0.00 174.94 173.92 1fln s LEU 51 N 1.43 2.05 0.02 2.97 1.43 -0.25 -1.25 118.68 125.08 1fln s LEU 51 Ca -0.00 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1fln s LEU 51 Cb -0.19 -1.34 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 1fln s LEU 51 CO 0.03 0.22 -0.07 -0.83 0.23 0.00 0.00 176.35 175.92 1fln s GLY 52 N -0.04 0.40 -0.28 -3.19 0.00 -0.51 -1.67 107.32 102.03 1fln s GLY 52 Ca -0.07 -0.50 -0.21 0.00 0.00 0.00 0.00 44.72 43.94 1fln s GLY 52 CO 0.05 -0.51 0.84 0.00 0.00 0.00 0.00 173.10 173.48 1fln s SER 54 N 0.88 3.92 -0.14 0.00 1.04 -1.25 -4.36 113.70 113.78 1fln s SER 54 Ca -0.04 1.49 -0.29 0.00 0.48 0.00 0.00 55.95 57.59 1fln s SER 54 Cb -0.05 -2.19 -0.02 0.00 0.10 0.00 0.00 66.02 63.86 1fln s SER 54 CO -0.10 -2.35 1.21 0.00 0.98 0.00 0.00 173.24 172.98 1fln s ALA 55 N -2.99 3.61 0.39 5.32 0.00 -0.68 -4.37 121.76 123.04 1fln s ALA 55 Ca 0.62 0.47 0.04 0.00 0.00 0.00 0.00 51.96 53.10 1fln s ALA 55 Cb -0.17 -3.58 -0.06 0.00 0.00 0.00 0.00 23.12 19.32 1fln s ALA 55 CO 0.56 -1.03 0.04 -1.64 0.00 0.00 0.00 175.76 173.69 1fln s MET 56 N 3.07 1.87 0.59 0.00 -1.94 -0.18 -4.84 119.30 117.88 1fln s MET 56 Ca 0.54 -2.09 0.00 0.00 -1.71 0.00 0.00 55.69 52.43 1fln s MET 56 Cb -0.22 -1.19 0.00 0.00 2.01 0.00 0.00 34.83 35.43 1fln s MET 56 CO 0.16 -0.21 0.00 0.41 -0.01 0.00 0.00 175.02 175.37 1fln n GLY 57 N -0.90 1.45 2.85 -0.03 0.00 -1.26 -0.75 105.19 106.55 1fln n GLY 57 Ca -0.06 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 1fln n GLY 57 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fln n PRO 58 N 14.00 3.36 -3.52 1.61 -0.04 -1.26 -4.59 135.00 144.57 1fln n PRO 58 Ca 0.00 -3.24 -0.21 0.00 -0.04 0.00 0.00 63.50 60.01 1fln n PRO 58 Cb 0.00 -3.06 0.05 0.00 -0.04 0.00 0.00 33.50 30.46 1fln n PRO 58 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1fln n GLU 59 N 4.71 -3.29 -4.30 0.54 -0.58 -0.94 -5.02 120.64 111.77 1fln n GLU 59 Ca 0.44 0.69 -0.18 0.00 -0.42 0.00 0.00 57.16 57.69 1fln n GLU 59 Cb 0.37 -5.20 -0.09 0.00 -0.57 0.00 0.00 31.44 25.95 1fln n GLU 59 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 1fln s VAL 60 N -3.49 0.18 0.57 2.62 -7.23 0.07 -4.17 120.40 108.95 1fln s VAL 60 Ca 0.27 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 1fln s VAL 60 Cb -0.06 -2.50 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1fln s VAL 60 CO 0.79 0.00 1.05 -0.76 -0.31 0.00 0.00 175.10 175.87 1fln s LEU 61 N -3.34 3.57 0.11 1.32 1.43 -1.26 -1.01 118.68 119.50 1fln s LEU 61 Ca 0.37 1.83 -0.34 0.00 -1.03 0.00 0.00 54.13 54.96 1fln s LEU 61 Cb 0.05 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 41.59 1fln s LEU 61 CO 0.19 -1.07 1.61 1.21 0.23 0.00 0.00 176.35 178.51 1fln n GLU 62 N -1.81 2.06 0.08 1.70 0.00 -1.26 -4.74 120.64 116.67 1fln n GLU 62 Ca 0.09 0.75 -0.12 0.00 0.00 0.00 0.00 57.16 57.87 1fln n GLU 62 Cb 0.53 -2.52 -0.05 0.00 0.00 0.00 0.00 31.44 29.40 1fln n GLU 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1fln h GLU 63 N 6.34 0.33 0.00 5.31 5.08 -1.96 -0.10 114.58 129.57 1fln h GLU 63 Ca -0.46 -0.37 -0.17 0.00 -1.00 0.00 0.00 59.36 57.36 1fln h GLU 63 Cb 1.26 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.60 1fln h GLU 63 CO 0.89 1.07 -0.87 0.66 -1.00 0.00 0.00 179.01 179.77 1fln h SER 64 N 0.17 0.00 0.00 1.42 4.64 -2.01 -3.40 113.55 114.37 1fln h SER 64 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 1fln h SER 64 Cb 1.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.70 1fln h SER 64 CO 0.16 0.79 -0.73 -0.62 -0.87 0.00 0.00 176.83 175.56 1fln n GLU 65 N -3.26 0.00 -0.03 4.77 1.02 -1.26 -4.79 120.64 117.09 1fln n GLU 65 Ca -0.01 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.00 1fln n GLU 65 Cb 0.86 -0.39 -0.09 0.00 -0.02 0.00 0.00 31.44 31.81 1fln n GLU 65 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 1fln h PHE 66 N 0.00 0.16 -0.21 -0.32 3.57 -1.83 -3.07 116.94 115.23 1fln h PHE 66 Ca 0.00 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.50 1fln h PHE 66 Cb 0.73 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 39.39 1fln h PHE 66 CO 0.00 0.56 -0.07 1.49 -2.23 0.00 0.00 178.31 178.06 1fln h GLU 67 N -0.29 -0.03 -0.54 1.11 4.57 -1.24 -1.45 114.58 116.72 1fln h GLU 67 Ca 0.01 0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1fln h GLU 67 Cb 0.53 0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 1fln h GLU 67 CO 0.01 -0.02 0.36 -1.35 -1.18 0.00 0.00 179.01 176.83 1fln h PRO 68 N -0.03 0.63 -0.35 0.92 0.11 -1.78 -0.62 132.00 130.88 1fln h PRO 68 Ca 0.11 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.15 1fln h PRO 68 Cb 0.20 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 1fln h PRO 68 CO -0.24 0.42 0.11 0.35 -0.21 0.00 0.00 178.00 178.43 1fln h PHE 69 N 0.65 0.57 -0.60 0.65 3.57 -1.31 0.71 116.94 121.19 1fln h PHE 69 Ca 0.21 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 1fln h PHE 69 Cb 0.04 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 1fln h PHE 69 CO -0.00 0.55 0.23 0.82 -2.23 0.00 0.00 178.31 177.68 1fln h ILE 70 N 0.42 1.23 -0.59 1.41 1.08 -0.31 -1.85 117.51 118.90 1fln h ILE 70 Ca 0.11 -0.74 -0.07 0.00 -0.39 0.00 0.00 64.86 63.78 1fln h ILE 70 Cb 0.25 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1fln h ILE 70 CO -0.00 0.29 0.10 -0.08 -0.69 0.00 0.00 178.15 177.76 1fln h GLU 71 N 0.83 0.96 -0.54 2.37 4.57 -0.97 -1.20 114.58 120.59 1fln h GLU 71 Ca 0.20 -0.24 -0.05 0.00 -1.18 0.00 0.00 59.36 58.10 1fln h GLU 71 Cb 0.22 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 1fln h GLU 71 CO -0.01 0.88 0.15 1.49 -1.18 0.00 0.00 179.01 180.34 1fln h GLU 72 N 0.90 0.85 0.00 1.92 4.81 -0.27 -2.96 114.58 119.84 1fln h GLU 72 Ca 0.18 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1fln h GLU 72 Cb 0.40 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.66 1fln h GLU 72 CO 0.01 0.79 -0.23 0.44 -0.73 0.00 0.00 179.01 179.28 1fln n ILE 73 N -4.44 0.10 -0.32 2.32 -5.35 -0.75 -4.41 119.36 106.51 1fln n ILE 73 Ca 0.02 -0.06 0.15 0.00 -0.27 0.00 0.00 62.75 62.59 1fln n ILE 73 Cb 0.21 -0.22 0.33 0.00 -1.74 0.00 0.00 39.64 38.23 1fln n ILE 73 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1fln h SER 74 N 0.00 0.46 1.06 7.28 4.64 -1.04 -1.17 113.55 124.78 1fln h SER 74 Ca 0.00 0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1fln h SER 74 Cb 0.55 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 1fln h SER 74 CO 0.00 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 176.35 1fln n THR 75 N -4.98 0.20 -1.67 2.95 -2.24 -1.26 -3.99 114.28 103.29 1fln n THR 75 Ca 0.24 -0.04 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 1fln n THR 75 Cb 0.68 -0.56 0.20 0.00 -2.10 0.00 0.00 70.33 68.54 1fln n THR 75 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1fln n LYS 76 N -1.66 1.49 0.00 -0.78 2.85 -0.45 -4.69 118.16 114.92 1fln n LYS 76 Ca 0.06 -3.22 0.00 0.00 -1.05 0.00 0.00 58.31 54.10 1fln n LYS 76 Cb 0.34 -1.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.21 1fln n LYS 76 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1fln n ILE 77 N -1.00 0.67 -1.71 0.58 -5.35 -1.20 -5.02 119.36 106.32 1fln n ILE 77 Ca 0.18 -0.68 -0.43 0.00 -0.27 0.00 0.00 62.75 61.56 1fln n ILE 77 Cb 0.72 0.68 -0.02 0.00 -1.74 0.00 0.00 39.64 39.28 1fln n ILE 77 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1fln n SER 78 N -0.33 3.49 0.00 7.28 2.88 -1.25 -1.36 113.62 124.33 1fln n SER 78 Ca 0.00 1.12 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 1fln n SER 78 Cb 0.32 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1fln n SER 78 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1fln n GLY 79 N 2.60 2.03 3.84 0.46 0.00 0.99 -4.93 105.19 110.18 1fln n GLY 79 Ca 0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.81 1fln n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fln s LYS 80 N -0.19 4.09 0.10 1.61 1.02 -0.47 -4.75 119.74 121.15 1fln s LYS 80 Ca 0.00 0.88 -0.19 0.00 0.02 0.00 0.00 55.97 56.68 1fln s LYS 80 Cb 0.00 -2.29 -0.07 0.00 -0.52 0.00 0.00 37.83 34.95 1fln s LYS 80 CO 0.00 0.03 0.59 0.15 -0.92 0.00 0.00 175.35 175.20 1fln s LYS 81 N -3.19 4.19 0.02 1.68 1.02 -1.21 -0.57 119.74 121.67 1fln s LYS 81 Ca 0.58 0.74 0.00 0.00 0.02 0.00 0.00 55.97 57.31 1fln s LYS 81 Cb -0.10 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 1fln s LYS 81 CO 0.17 0.60 -0.03 0.14 -0.92 0.00 0.00 175.35 175.32 1fln s VAL 82 N -1.18 0.11 -0.07 3.17 -7.23 -0.29 -1.05 120.40 113.87 1fln s VAL 82 Ca 0.31 -0.67 0.03 0.00 -1.81 0.00 0.00 61.98 59.84 1fln s VAL 82 Cb -0.19 -0.22 0.01 0.00 0.56 0.00 0.00 36.38 36.54 1fln s VAL 82 CO 0.20 -0.35 -0.15 0.00 -0.31 0.00 0.00 175.10 174.49 1fln s ALA 83 N -1.05 1.45 0.06 1.32 0.00 -0.04 -1.91 121.76 121.60 1fln s ALA 83 Ca -0.11 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.38 1fln s ALA 83 Cb -0.07 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1fln s ALA 83 CO -0.01 0.17 -0.22 -0.51 0.00 0.00 0.00 175.76 175.19 1fln s LEU 84 N 0.49 2.43 0.23 0.00 1.43 -1.26 -1.09 118.68 120.91 1fln s LEU 84 Ca -0.13 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 1fln s LEU 84 Cb -0.15 -1.40 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1fln s LEU 84 CO 0.04 0.24 0.49 0.72 0.23 0.00 0.00 176.35 178.07 1fln s PHE 85 N -0.93 0.25 0.00 0.29 -0.71 -0.67 -1.54 117.98 114.67 1fln s PHE 85 Ca 0.14 -0.62 0.00 0.00 -1.04 0.00 0.00 56.93 55.41 1fln s PHE 85 Cb -0.10 0.24 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 1fln s PHE 85 CO 0.05 -0.98 0.00 0.41 -1.34 0.00 0.00 175.22 173.36 1fln n GLY 86 N -0.37 2.61 3.94 1.99 0.00 -0.59 -2.07 105.19 110.70 1fln n GLY 86 Ca -0.04 -0.78 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 1fln n GLY 86 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1fln s SER 87 N 0.00 6.36 0.23 1.61 0.15 -1.26 -2.10 113.70 118.69 1fln s SER 87 Ca 0.00 0.26 -0.06 0.00 0.70 0.00 0.00 55.95 56.85 1fln s SER 87 Cb 0.00 -1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 62.34 1fln s SER 87 CO 0.00 0.02 0.29 -0.72 1.20 0.00 0.00 173.24 174.03 1fln s TYR 88 N -1.79 0.84 0.00 3.44 1.13 -0.67 -1.69 117.35 118.62 1fln s TYR 88 Ca 0.36 -1.12 0.00 0.00 -1.41 0.00 0.00 57.07 54.90 1fln s TYR 88 Cb -0.11 -0.23 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 1fln s TYR 88 CO 0.29 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.92 1fln n GLY 89 N -0.34 0.13 0.03 5.49 0.00 -1.26 -0.60 105.19 108.64 1fln n GLY 89 Ca 0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.14 1fln n GLY 89 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1fln n TRP 90 N -0.57 0.21 -0.95 1.61 2.14 -1.26 -4.80 117.44 113.82 1fln n TRP 90 Ca 0.00 0.06 0.00 0.00 2.07 0.00 0.00 57.50 59.63 1fln n TRP 90 Cb 0.00 -0.40 0.00 0.00 -0.81 0.00 0.00 31.31 30.10 1fln n TRP 90 CO 0.00 0.00 0.00 0.41 2.07 0.00 0.00 177.69 180.17 1fln n GLY 91 N 1.37 -0.75 0.94 -1.67 0.00 -1.26 -5.03 105.19 98.79 1fln n GLY 91 Ca 0.01 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.37 1fln n GLY 91 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1fln n ASP 92 N -2.28 1.72 0.00 1.61 5.68 -1.26 -4.96 116.55 117.05 1fln n ASP 92 Ca 0.00 -3.40 0.00 0.00 -0.50 0.00 0.00 54.79 50.89 1fln n ASP 92 Cb 0.00 -0.46 0.00 0.00 -1.14 0.00 0.00 41.12 39.52 1fln n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fln n GLY 93 N -0.69 0.83 0.23 6.12 0.00 -1.26 -4.99 105.19 105.42 1fln n GLY 93 Ca 0.17 -0.09 -0.02 0.00 0.00 0.00 0.00 46.02 46.08 1fln n GLY 93 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1fln h LYS 94 N 2.28 0.45 -0.35 1.61 1.63 -1.94 -1.35 116.57 118.90 1fln h LYS 94 Ca 0.00 -0.03 0.03 0.00 -0.85 0.00 0.00 60.65 59.80 1fln h LYS 94 Cb 0.00 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 1fln h LYS 94 CO 0.00 0.30 0.23 0.11 -3.45 0.00 0.00 179.45 176.64 1fln h TRP 95 N 0.46 0.35 0.06 1.91 0.09 -1.95 -1.47 115.95 115.40 1fln h TRP 95 Ca 0.27 0.01 -0.24 0.00 0.09 0.00 0.00 58.89 59.02 1fln h TRP 95 Cb 0.27 -0.12 0.00 0.00 0.08 0.00 0.00 29.16 29.39 1fln h TRP 95 CO -0.14 0.21 -1.06 1.98 0.09 0.00 0.00 178.44 179.52 1fln h MET 96 N 0.37 0.32 -0.76 0.12 4.05 -1.64 -0.47 114.93 116.91 1fln h MET 96 Ca 0.14 -0.42 -0.04 0.00 -0.28 0.00 0.00 59.70 59.10 1fln h MET 96 Cb 0.11 0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 1fln h MET 96 CO -0.03 1.13 0.32 0.00 0.23 0.00 0.00 176.91 178.56 1fln h ARG 97 N 0.15 1.13 -0.34 0.39 3.08 -0.71 -0.06 114.38 118.01 1fln h ARG 97 Ca -0.10 -0.19 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 1fln h ARG 97 Cb 1.73 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.59 1fln h ARG 97 CO 0.18 0.91 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.37 1fln h ASP 98 N 1.09 0.74 -0.35 7.04 3.32 -1.22 -1.82 116.42 125.23 1fln h ASP 98 Ca 0.26 -0.41 0.02 0.00 0.02 0.00 0.00 57.03 56.91 1fln h ASP 98 Cb 0.19 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 1fln h ASP 98 CO -0.02 0.99 0.19 0.15 -1.72 0.00 0.00 179.24 178.83 1fln h PHE 99 N 0.49 0.35 -0.30 4.55 3.57 -0.78 0.44 116.94 125.27 1fln h PHE 99 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1fln h PHE 99 Cb 0.72 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 1fln h PHE 99 CO 0.06 0.20 0.17 1.49 -2.23 0.00 0.00 178.31 177.99 1fln h GLU 100 N 0.39 0.41 -0.84 1.11 4.81 -0.98 -0.67 114.58 118.82 1fln h GLU 100 Ca 0.14 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1fln h GLU 100 Cb 0.03 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 1fln h GLU 100 CO -0.08 0.35 0.55 1.49 -0.73 0.00 0.00 179.01 180.59 1fln h GLU 101 N 0.37 1.08 0.01 1.92 4.81 -1.10 -1.42 114.58 120.25 1fln h GLU 101 Ca 0.11 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1fln h GLU 101 Cb 0.05 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.19 1fln h GLU 101 CO -0.02 0.71 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.88 1fln h ARG 102 N 1.11 -0.02 -0.94 1.92 2.43 -0.42 0.19 114.38 118.65 1fln h ARG 102 Ca 0.32 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.49 1fln h ARG 102 Cb -0.08 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 1fln h ARG 102 CO -0.09 0.07 0.58 0.52 -1.51 0.00 0.00 179.97 179.54 1fln h MET 103 N -0.10 1.26 -0.75 0.20 2.86 -0.91 -0.78 114.93 116.72 1fln h MET 103 Ca -0.00 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1fln h MET 103 Cb 0.09 -0.27 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1fln h MET 103 CO 0.00 0.87 0.24 -0.91 1.06 0.00 0.00 176.91 178.17 1fln h ASN 104 N 1.29 1.08 0.22 1.22 2.35 -1.06 -1.94 115.58 118.73 1fln h ASN 104 Ca 0.34 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1fln h ASN 104 Cb -0.08 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.00 1fln h ASN 104 CO -0.07 0.99 -0.11 1.23 -1.65 0.00 0.00 177.43 177.82 1fln h GLY 105 N 1.10 0.00 0.38 2.83 0.00 0.42 -1.32 103.07 106.48 1fln h GLY 105 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1fln h GLY 105 CO -0.01 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.81 1fln n TYR 106 N -3.95 0.01 -0.18 5.60 4.01 -0.58 -4.90 117.16 117.17 1fln n TYR 106 Ca -0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 1fln n TYR 106 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 1fln n TYR 106 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1fln n GLY 107 N 1.04 0.85 3.87 2.72 0.00 -0.50 -3.83 105.19 109.34 1fln n GLY 107 Ca 0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1fln n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fln s VAL 109 N -2.89 3.88 -0.63 0.00 1.01 0.26 -4.40 120.40 117.62 1fln s VAL 109 Ca 0.55 -1.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.25 1fln s VAL 109 Cb -0.11 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.16 1fln s VAL 109 CO 0.44 -0.13 1.16 -0.69 0.00 0.00 0.00 175.10 175.88 1fln s VAL 110 N 1.43 4.01 0.36 2.92 1.01 -1.26 -1.13 120.40 127.75 1fln s VAL 110 Ca -0.00 0.54 0.20 0.00 0.00 0.00 0.00 61.98 62.71 1fln s VAL 110 Cb -0.19 -4.75 0.20 0.00 0.00 0.00 0.00 36.38 31.63 1fln s VAL 110 CO 0.03 -1.47 1.93 -0.37 0.00 0.00 0.00 175.10 175.22 1fln h VAL 111 N 6.08 0.89 -4.13 2.92 -1.51 -1.77 -3.46 116.25 115.28 1fln h VAL 111 Ca -0.26 -0.92 -0.13 0.00 -1.23 0.00 0.00 66.70 64.16 1fln h VAL 111 Cb 1.06 1.54 -0.14 0.00 -2.13 0.00 0.00 31.29 31.61 1fln h VAL 111 CO 1.20 0.23 -0.52 -1.61 -1.23 0.00 0.00 177.57 175.65 1fln s GLU 112 N -4.16 0.90 0.27 5.19 0.41 -1.26 -5.11 118.70 114.94 1fln s GLU 112 Ca -0.02 -1.23 -0.30 0.00 -0.41 0.00 0.00 54.97 53.00 1fln s GLU 112 Cb 0.13 0.29 -0.11 0.00 -1.78 0.00 0.00 34.13 32.67 1fln s GLU 112 CO 0.66 -0.27 1.54 0.99 -0.49 0.00 0.00 175.26 177.68 1fln s THR 113 N -3.97 2.32 0.48 3.63 2.01 -1.26 -4.77 115.64 114.08 1fln s THR 113 Ca 0.15 0.27 -0.24 0.00 0.31 0.00 0.00 61.69 62.18 1fln s THR 113 Cb 0.06 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.32 1fln s THR 113 CO -0.04 0.04 1.28 -2.65 -0.69 0.00 0.00 174.62 172.56 1fln n PRO 114 N 2.42 1.79 -3.48 4.92 -0.02 -1.26 -4.87 135.00 134.49 1fln n PRO 114 Ca 0.08 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.80 1fln n PRO 114 Cb 0.38 -2.44 -0.10 0.00 -0.02 0.00 0.00 33.50 31.32 1fln n PRO 114 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1fln s LEU 115 N -2.31 4.60 -0.03 2.45 2.96 -0.59 -4.99 118.68 120.77 1fln s LEU 115 Ca 0.66 -0.45 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 1fln s LEU 115 Cb -0.47 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.01 1fln s LEU 115 CO 0.54 -0.31 -0.24 0.27 -1.32 0.00 0.00 176.35 175.30 1fln s ILE 116 N 1.81 1.90 -0.01 6.68 -4.36 -1.26 -1.54 121.20 124.41 1fln s ILE 116 Ca 0.08 -1.01 0.04 0.00 -0.26 0.00 0.00 60.65 59.49 1fln s ILE 116 Cb -0.17 -1.59 -0.01 0.00 1.25 0.00 0.00 42.46 41.94 1fln s ILE 116 CO 0.11 0.53 -0.12 -0.69 0.24 0.00 0.00 174.94 175.01 1fln s VAL 117 N -0.39 0.96 -0.11 8.37 1.01 -0.89 -4.99 120.40 124.35 1fln s VAL 117 Ca 0.04 -0.51 -0.28 0.00 0.00 0.00 0.00 61.98 61.24 1fln s VAL 117 Cb -0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 1fln s VAL 117 CO 0.01 0.28 0.92 -1.58 0.00 0.00 0.00 175.10 174.72 1fln s GLN 118 N -0.18 4.39 4.17 2.72 0.74 -1.26 -1.67 119.66 128.57 1fln s GLN 118 Ca 0.03 1.22 0.00 0.00 0.05 0.00 0.00 55.36 56.66 1fln s GLN 118 Cb -0.06 -3.54 0.00 0.00 1.10 0.00 0.00 33.01 30.51 1fln s GLN 118 CO -0.00 -0.26 0.00 0.09 -0.55 0.00 0.00 175.29 174.57 1fln n ASN 119 N 4.87 0.00 -4.76 6.67 3.02 0.23 -4.67 115.26 120.62 1fln n ASN 119 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 1fln n ASN 119 Cb 0.49 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.63 1fln n ASN 119 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1fln s GLU 120 N 0.00 4.46 0.07 3.52 2.12 -1.26 -4.69 118.70 122.92 1fln s GLU 120 Ca 0.00 2.02 -0.17 0.00 0.36 0.00 0.00 54.97 57.18 1fln s GLU 120 Cb 0.00 -3.10 -0.05 0.00 0.26 0.00 0.00 34.13 31.24 1fln s GLU 120 CO 0.00 -0.02 1.28 -1.35 -0.54 0.00 0.00 175.26 174.63 1fln h PRO 121 N 3.52 -0.15 0.00 4.30 0.11 -1.83 -3.43 132.00 134.53 1fln h PRO 121 Ca -0.48 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1fln h PRO 121 Cb 1.22 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1fln h PRO 121 CO 0.66 -0.10 0.00 -0.25 -0.21 0.00 0.00 178.00 178.10 1fln n ASP 122 N -4.08 0.00 0.23 -2.05 8.00 -1.26 -0.48 116.55 116.90 1fln n ASP 122 Ca -0.01 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.58 1fln n ASP 122 Cb 0.16 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.79 1fln n ASP 122 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1fln h GLU 123 N 0.00 0.00 -0.57 -1.24 5.08 -1.99 -2.87 114.58 112.98 1fln h GLU 123 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1fln h GLU 123 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1fln h GLU 123 CO 0.00 0.24 0.00 0.00 -1.00 0.00 0.00 179.01 178.25 1fln n ALA 124 N -2.30 2.81 -0.12 3.43 0.00 0.37 -4.52 120.51 120.17 1fln n ALA 124 Ca -0.01 -0.94 -0.05 0.00 0.00 0.00 0.00 53.44 52.44 1fln n ALA 124 Cb 0.36 -1.01 0.03 0.00 0.00 0.00 0.00 19.45 18.83 1fln n ALA 124 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1fln h GLU 125 N 2.54 0.23 -0.32 0.00 5.08 -1.68 -1.70 114.58 118.74 1fln h GLU 125 Ca 0.00 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1fln h GLU 125 Cb 0.93 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1fln h GLU 125 CO 0.12 0.15 -0.05 0.37 -1.00 0.00 0.00 179.01 178.60 1fln h GLN 126 N 0.24 0.51 -0.99 2.33 5.75 -1.86 -2.02 115.11 119.06 1fln h GLN 126 Ca 0.19 -0.12 0.02 0.00 -0.15 0.00 0.00 58.65 58.59 1fln h GLN 126 Cb 0.21 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.64 1fln h GLN 126 CO -0.23 0.58 0.65 -0.44 -2.65 0.00 0.00 178.83 176.74 1fln h ASP 127 N 0.48 1.11 -0.24 -0.69 3.32 -1.64 0.19 116.42 118.95 1fln h ASP 127 Ca 0.10 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1fln h ASP 127 Cb 0.40 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 1fln h ASP 127 CO 0.02 0.78 0.02 0.00 -1.72 0.00 0.00 179.24 178.34 1fln h ILE 129 N 0.21 1.20 -0.40 0.00 2.04 -0.77 -2.39 117.51 117.39 1fln h ILE 129 Ca 0.07 -0.43 -0.05 0.00 1.00 0.00 0.00 64.86 65.45 1fln h ILE 129 Cb 0.36 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1fln h ILE 129 CO 0.01 0.20 0.04 -0.33 0.00 0.00 0.00 178.15 178.07 1fln h GLU 130 N 0.92 0.62 -0.41 2.37 4.39 -0.50 -1.44 114.58 120.53 1fln h GLU 130 Ca 0.24 -0.13 -0.02 0.00 0.34 0.00 0.00 59.36 59.79 1fln h GLU 130 Cb -0.03 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.51 1fln h GLU 130 CO -0.05 0.62 0.17 0.35 -1.16 0.00 0.00 179.01 178.94 1fln h PHE 131 N 0.60 0.63 -0.94 4.33 3.57 -0.91 -1.31 116.94 122.90 1fln h PHE 131 Ca 0.13 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1fln h PHE 131 Cb 0.32 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1fln h PHE 131 CO 0.01 0.55 0.58 0.78 -2.23 0.00 0.00 178.31 178.00 1fln h GLY 132 N 0.53 1.36 1.19 2.40 0.00 -0.90 -1.43 103.07 106.22 1fln h GLY 132 Ca 0.14 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.87 1fln h GLY 132 CO -0.01 0.54 0.23 0.50 0.00 0.00 0.00 176.54 177.80 1fln h LYS 133 N 1.29 1.03 -0.33 4.80 1.57 -0.80 -0.50 116.57 123.63 1fln h LYS 133 Ca 0.34 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.88 1fln h LYS 133 Cb -0.07 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 1fln h LYS 133 CO -0.07 0.86 0.04 0.87 -0.57 0.00 0.00 179.45 180.58 1fln h LYS 134 N 1.00 0.55 -0.99 3.15 1.57 -0.74 -2.56 116.57 118.55 1fln h LYS 134 Ca 0.22 -0.16 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1fln h LYS 134 Cb 0.25 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1fln h LYS 134 CO -0.01 0.65 0.64 0.82 -0.57 0.00 0.00 179.45 180.98 1fln h ILE 135 N 0.38 1.26 0.00 1.86 1.08 -0.90 -1.84 117.51 119.34 1fln h ILE 135 Ca 0.10 -0.48 -0.00 0.00 -0.39 0.00 0.00 64.86 64.08 1fln h ILE 135 Cb 0.38 -0.19 -0.00 0.00 -3.07 0.00 0.00 36.82 33.94 1fln h ILE 135 CO 0.01 0.25 -0.02 0.00 -0.69 0.00 0.00 178.15 177.70 1fln h ALA 136 N 1.37 1.04 -0.01 1.87 0.00 -0.78 -2.51 119.26 120.23 1fln h ALA 136 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1fln h ALA 136 Cb -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1fln h ALA 136 CO -0.08 0.03 -0.10 0.09 0.00 0.00 0.00 179.25 179.19 1fln n ASN 137 N -3.17 1.43 0.00 0.00 3.02 -0.70 -5.08 115.26 110.76 1fln n ASN 137 Ca -0.01 -1.32 0.10 0.00 -0.03 0.00 0.00 54.58 53.32 1fln n ASN 137 Cb 0.22 0.06 0.59 0.00 -0.61 0.00 0.00 39.78 40.04 1fln n ASN 137 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26