#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nln s SER 3 N 0.00 2.77 0.64 1.61 0.01 -1.26 -4.62 113.70 112.85 1nln s SER 3 Ca 0.00 -0.46 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 1nln s SER 3 Cb 0.00 -0.76 0.03 0.00 0.21 0.00 0.00 66.02 65.50 1nln s SER 3 CO 0.00 0.21 0.95 -0.94 0.41 0.00 0.00 173.24 173.88 1nln s SER 4 N -0.10 5.22 0.21 2.44 1.04 -1.26 -4.93 113.70 116.32 1nln s SER 4 Ca -0.04 0.57 -0.10 0.00 0.48 0.00 0.00 55.95 56.86 1nln s SER 4 Cb -0.13 -1.40 0.16 0.00 0.10 0.00 0.00 66.02 64.75 1nln s SER 4 CO 0.03 -1.32 1.88 -0.33 0.98 0.00 0.00 173.24 174.49 1nln h GLU 5 N -0.37 0.99 -0.87 4.02 5.08 -2.01 -1.84 114.58 119.59 1nln h GLU 5 Ca -0.45 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 57.89 1nln h GLU 5 Cb 1.29 -0.22 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1nln h GLU 5 CO 0.60 0.66 0.56 0.37 -1.00 0.00 0.00 179.01 180.19 1nln h GLN 6 N 1.02 1.03 -0.25 2.33 5.75 -1.99 0.17 115.11 123.16 1nln h GLN 6 Ca 0.28 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.70 1nln h GLN 6 Cb -0.11 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.20 1nln h GLN 6 CO -0.06 0.68 0.08 1.49 -2.65 0.00 0.00 178.83 178.37 1nln h GLU 7 N 1.06 0.39 -0.40 1.69 4.81 -1.79 -2.17 114.58 118.16 1nln h GLU 7 Ca 0.36 -0.08 -0.12 0.00 -0.13 0.00 0.00 59.36 59.39 1nln h GLU 7 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1nln h GLU 7 CO -0.13 0.45 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.30 1nln h LEU 8 N 0.24 0.83 -0.73 1.64 3.38 -0.85 -1.81 115.31 118.01 1nln h LEU 8 Ca 0.08 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.67 1nln h LEU 8 Cb 0.23 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1nln h LEU 8 CO -0.00 1.03 0.11 0.11 0.09 0.00 0.00 178.44 179.78 1nln h LYS 9 N 0.71 1.08 -0.65 1.13 1.57 -0.60 0.58 116.57 120.39 1nln h LYS 9 Ca 0.10 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.51 1nln h LYS 9 Cb 0.75 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1nln h LYS 9 CO 0.06 0.98 0.07 0.00 -0.57 0.00 0.00 179.45 180.00 1nln h ALA 10 N 1.10 0.87 -0.21 3.86 0.00 -1.15 -2.19 119.26 121.54 1nln h ALA 10 Ca 0.20 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1nln h ALA 10 Cb 0.43 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nln h ALA 10 CO 0.01 0.67 -0.59 0.82 0.00 0.00 0.00 179.25 180.16 1nln h ILE 11 N 1.02 1.30 -0.25 0.00 2.04 -0.94 -1.42 117.51 119.26 1nln h ILE 11 Ca 0.19 -1.82 -0.06 0.00 1.00 0.00 0.00 64.86 64.17 1nln h ILE 11 Cb 0.48 1.76 -0.01 0.00 -0.74 0.00 0.00 36.82 38.31 1nln h ILE 11 CO 0.02 0.57 -0.12 0.58 0.00 0.00 0.00 178.15 179.21 1nln h VAL 12 N 0.52 1.21 -0.44 1.67 2.07 -0.83 -1.10 116.25 119.35 1nln h VAL 12 Ca 0.00 -0.94 -0.13 0.00 0.82 0.00 0.00 66.70 66.46 1nln h VAL 12 Cb 1.17 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 1nln h VAL 12 CO 0.12 0.30 -0.22 0.50 0.02 0.00 0.00 177.57 178.29 1nln h LYS 13 N 0.39 0.93 -0.45 1.57 3.64 -1.25 -2.47 116.57 118.93 1nln h LYS 13 Ca 0.08 -0.41 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1nln h LYS 13 Cb 0.45 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1nln h LYS 13 CO 0.03 1.07 0.22 -0.44 -2.27 0.00 0.00 179.45 178.05 1nln h ASP 14 N 0.76 0.56 0.00 4.20 3.32 -0.44 -2.10 116.42 122.72 1nln h ASP 14 Ca 0.10 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1nln h ASP 14 Cb 0.79 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.20 1nln h ASP 14 CO 0.07 0.48 0.00 0.18 -1.72 0.00 0.00 179.24 178.25 1nln n LEU 15 N -4.39 0.00 0.00 1.55 4.77 -0.50 -4.83 117.00 113.60 1nln n LEU 15 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1nln n LEU 15 Cb 0.12 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1nln n LEU 15 CO 0.37 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 1nln n GLY 16 N 0.65 0.71 0.29 -0.72 0.00 -0.79 -4.87 105.19 100.47 1nln n GLY 16 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 1nln n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nln h GLY 18 N 4.91 1.41 2.00 0.00 0.00 -1.81 -0.90 103.07 108.68 1nln h GLY 18 Ca 0.00 -0.11 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 1nln h GLY 18 CO 0.00 -0.29 -0.00 -2.55 0.00 0.00 0.00 176.54 173.69 1nln h PRO 19 N 0.32 0.00 -0.00 4.80 0.11 -1.98 -2.80 132.00 132.45 1nln h PRO 19 Ca 0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.65 1nln h PRO 19 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nln h PRO 19 CO -0.57 0.00 -0.15 0.66 -0.21 0.00 0.00 178.00 177.73 1nln n TYR 20 N -3.15 0.00 -2.91 0.65 4.01 -0.45 -5.00 117.16 110.31 1nln n TYR 20 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1nln n TYR 20 Cb 0.09 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.07 1nln n TYR 20 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 1nln s PHE 21 N -1.20 3.27 -0.33 -0.72 5.36 -0.59 -1.17 117.98 122.59 1nln s PHE 21 Ca 0.02 1.02 0.20 0.00 -0.96 0.00 0.00 56.93 57.20 1nln s PHE 21 Cb 0.03 -3.11 0.23 0.00 -0.34 0.00 0.00 43.02 39.83 1nln s PHE 21 CO 0.14 -0.46 1.54 -0.07 -1.46 0.00 0.00 175.22 174.91 1nln h LEU 22 N 9.28 0.00 0.00 6.12 3.38 -1.37 -3.48 115.31 129.24 1nln h LEU 22 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1nln h LEU 22 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1nln h LEU 22 CO 0.87 0.20 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1nln n GLY 23 N 1.15 0.43 3.81 0.83 0.00 -1.26 -5.06 105.19 105.09 1nln n GLY 23 Ca 0.03 -2.23 -0.36 0.00 0.00 0.00 0.00 46.02 43.46 1nln n GLY 23 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nln s THR 24 N -0.44 5.09 0.13 2.61 -4.23 -1.26 -2.25 115.64 115.29 1nln s THR 24 Ca 0.00 0.05 0.01 0.00 -1.18 0.00 0.00 61.69 60.57 1nln s THR 24 Cb 0.00 -3.20 -0.04 0.00 1.34 0.00 0.00 72.50 70.60 1nln s THR 24 CO 0.00 0.61 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.38 1nln s TYR 25 N -0.96 0.95 0.14 3.99 1.51 -0.00 -4.98 117.35 118.00 1nln s TYR 25 Ca 0.14 -1.05 -0.01 0.00 -1.01 0.00 0.00 57.07 55.14 1nln s TYR 25 Cb -0.12 -0.56 0.03 0.00 -0.11 0.00 0.00 41.96 41.20 1nln s TYR 25 CO 0.03 -0.29 0.18 -0.40 -1.11 0.00 0.00 175.55 173.96 1nln n ASP 26 N -0.11 0.18 0.09 2.29 5.68 -1.26 -0.28 116.55 123.14 1nln n ASP 26 Ca -0.09 -1.17 0.06 0.00 -0.50 0.00 0.00 54.79 53.10 1nln n ASP 26 Cb 0.62 -0.13 0.33 0.00 -1.14 0.00 0.00 41.12 40.81 1nln n ASP 26 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1nln n LYS 27 N -1.36 0.08 -0.09 0.11 2.85 -0.66 -1.91 118.16 117.19 1nln n LYS 27 Ca 0.03 0.58 0.04 0.00 -1.05 0.00 0.00 58.31 57.91 1nln n LYS 27 Cb 0.10 -1.76 0.14 0.00 -0.65 0.00 0.00 35.03 32.86 1nln n LYS 27 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1nln n ARG 28 N -1.93 1.43 -1.69 -1.58 1.74 -1.26 -4.93 116.66 108.44 1nln n ARG 28 Ca -0.01 -0.66 -0.59 0.00 -0.77 0.00 0.00 57.85 55.82 1nln n ARG 28 Cb 0.02 -1.17 -0.08 0.00 -1.02 0.00 0.00 32.46 30.21 1nln n ARG 28 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nln n PHE 29 N 0.01 1.82 0.20 -1.55 7.35 -0.80 -4.79 117.46 119.70 1nln n PHE 29 Ca 0.08 0.71 0.04 0.00 -0.76 0.00 0.00 57.45 57.51 1nln n PHE 29 Cb 0.16 -2.37 0.42 0.00 0.35 0.00 0.00 39.48 38.04 1nln n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1nln h PRO 30 N 6.07 0.01 0.00 -7.13 0.11 -1.92 -3.43 132.00 125.71 1nln h PRO 30 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1nln h PRO 30 Cb 1.34 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1nln h PRO 30 CO 0.92 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 179.41 1nln n GLY 31 N -0.69 0.60 3.74 -0.55 0.00 -1.26 -4.41 105.19 102.62 1nln n GLY 31 Ca -0.02 -2.32 -0.36 0.00 0.00 0.00 0.00 46.02 43.33 1nln n GLY 31 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nln s PHE 32 N -0.59 3.45 -0.74 1.61 0.40 -1.26 -4.92 117.98 115.94 1nln s PHE 32 Ca 0.00 0.48 0.04 0.00 -0.60 0.00 0.00 56.93 56.85 1nln s PHE 32 Cb 0.00 -2.24 0.19 0.00 0.51 0.00 0.00 43.02 41.48 1nln s PHE 32 CO 0.00 0.30 0.58 0.28 0.70 0.00 0.00 175.22 177.08 1nln n VAL 33 N 3.42 1.98 -2.79 -0.44 0.31 -1.26 -4.21 118.33 115.34 1nln n VAL 33 Ca -0.14 -4.96 -0.10 0.00 -0.01 0.00 0.00 64.34 59.13 1nln n VAL 33 Cb 0.52 -2.22 0.05 0.00 -0.91 0.00 0.00 33.84 31.29 1nln n VAL 33 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1nln n SER 34 N 1.91 -2.38 0.30 4.52 2.88 -1.26 -4.98 113.62 114.61 1nln n SER 34 Ca 0.21 -3.38 0.17 0.00 -1.33 0.00 0.00 58.87 54.54 1nln n SER 34 Cb 0.36 1.60 0.94 0.00 -0.75 0.00 0.00 64.21 66.37 1nln n SER 34 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1nln h PRO 35 N 3.65 0.00 0.00 -1.46 0.13 -1.80 -3.22 132.00 129.30 1nln h PRO 35 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 1nln h PRO 35 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1nln h PRO 35 CO 0.28 0.03 -0.12 0.72 -0.23 0.00 0.00 178.00 178.69 1nln n HIS 36 N -3.47 0.00 -4.02 1.56 8.25 -1.26 -4.78 115.22 111.51 1nln n HIS 36 Ca -0.02 -0.41 -0.13 0.00 -0.26 0.00 0.00 57.72 56.90 1nln n HIS 36 Cb 0.14 -0.07 -0.13 0.00 1.12 0.00 0.00 29.99 31.06 1nln n HIS 36 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1nln s LYS 37 N -1.06 0.30 0.36 -0.41 1.02 -1.22 -4.99 119.74 113.75 1nln s LYS 37 Ca 0.09 -0.36 -0.27 0.00 0.02 0.00 0.00 55.97 55.45 1nln s LYS 37 Cb 0.08 -0.15 -0.09 0.00 -0.52 0.00 0.00 37.83 37.14 1nln s LYS 37 CO 0.01 0.03 1.24 -0.51 -0.92 0.00 0.00 175.35 175.20 1nln s LEU 38 N -0.72 4.33 0.06 3.17 1.43 -1.26 -4.38 118.68 121.30 1nln s LEU 38 Ca -0.05 2.54 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 1nln s LEU 38 Cb -0.05 -3.81 0.01 0.00 0.03 0.00 0.00 46.19 42.37 1nln s LEU 38 CO -0.00 -0.61 0.26 0.00 0.23 0.00 0.00 176.35 176.23 1nln s ALA 39 N -1.25 -0.52 0.20 4.21 0.00 -0.93 -4.63 121.76 118.84 1nln s ALA 39 Ca 0.53 -0.22 -0.17 0.00 0.00 0.00 0.00 51.96 52.09 1nln s ALA 39 Cb -0.36 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.18 1nln s ALA 39 CO 0.47 -0.45 0.51 0.00 0.00 0.00 0.00 175.76 176.29 1nln s ALA 41 N -3.88 -1.49 -0.19 0.00 0.00 0.04 -0.92 121.76 115.32 1nln s ALA 41 Ca 0.10 0.77 -0.07 0.00 0.00 0.00 0.00 51.96 52.76 1nln s ALA 41 Cb -0.01 0.37 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 1nln s ALA 41 CO -0.02 -0.51 0.05 0.42 0.00 0.00 0.00 175.76 175.69 1nln s ILE 42 N -2.32 4.56 -0.05 0.00 1.01 -0.95 -1.32 121.20 122.13 1nln s ILE 42 Ca -0.06 -0.11 0.04 0.00 0.00 0.00 0.00 60.65 60.52 1nln s ILE 42 Cb -0.01 -3.06 0.00 0.00 0.01 0.00 0.00 42.46 39.40 1nln s ILE 42 CO -0.00 0.44 -0.16 -0.69 0.00 0.00 0.00 174.94 174.53 1nln s VAL 43 N 0.59 1.32 0.28 2.92 1.01 0.22 -0.82 120.40 125.93 1nln s VAL 43 Ca 0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 1nln s VAL 43 Cb -0.13 -1.15 -0.07 0.00 0.00 0.00 0.00 36.38 35.03 1nln s VAL 43 CO 0.02 0.39 0.61 0.21 0.00 0.00 0.00 175.10 176.32 1nln s ASN 44 N 0.16 6.60 0.49 3.32 2.47 0.61 -1.31 114.94 127.28 1nln s ASN 44 Ca -0.06 0.97 0.28 0.00 0.42 0.00 0.00 52.86 54.47 1nln s ASN 44 Cb -0.12 -2.25 1.08 0.00 -1.45 0.00 0.00 41.25 38.52 1nln s ASN 44 CO 0.02 -0.16 1.89 0.71 -3.72 0.00 0.00 177.10 175.84 1nln h THR 45 N 1.75 0.32 -1.18 -5.21 1.35 -1.43 -2.39 112.91 106.11 1nln h THR 45 Ca -0.47 -0.87 -0.50 0.00 -0.55 0.00 0.00 66.41 64.02 1nln h THR 45 Cb 1.18 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 69.25 1nln h THR 45 CO 0.67 0.12 -0.30 0.00 -0.25 0.00 0.00 175.52 175.77 1nln s ALA 46 N -3.65 4.32 0.39 6.62 0.00 -1.26 -4.62 121.76 123.55 1nln s ALA 46 Ca 0.01 -1.77 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 1nln s ALA 46 Cb 0.10 -1.12 -0.07 0.00 0.00 0.00 0.00 23.12 22.03 1nln s ALA 46 CO 0.60 -0.39 0.75 0.20 0.00 0.00 0.00 175.76 176.92 1nln s GLY 47 N -4.29 1.97 0.46 0.00 0.00 -1.26 -1.65 107.32 102.55 1nln s GLY 47 Ca 0.49 -0.20 0.17 0.00 0.00 0.00 0.00 44.72 45.17 1nln s GLY 47 CO 0.29 -0.02 1.98 3.21 0.00 0.00 0.00 173.10 178.57 1nln h ARG 48 N 1.36 0.28 -0.47 2.90 3.08 -1.96 -2.49 114.38 117.07 1nln h ARG 48 Ca -0.47 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.61 1nln h ARG 48 Cb 1.19 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 31.13 1nln h ARG 48 CO 0.64 0.19 0.22 0.93 -1.07 0.00 0.00 179.97 180.87 1nln h GLU 49 N 0.29 0.41 -0.09 0.04 3.07 -2.05 -2.76 114.58 113.50 1nln h GLU 49 Ca 0.27 -0.02 -0.13 0.00 -0.50 0.00 0.00 59.36 58.98 1nln h GLU 49 Cb 0.67 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.48 1nln h GLU 49 CO -0.06 0.27 -0.52 1.15 -1.40 0.00 0.00 179.01 178.46 1nln h THR 50 N 0.43 1.35 0.00 1.13 2.02 -1.85 -3.50 112.91 112.49 1nln h THR 50 Ca 0.21 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.61 1nln h THR 50 Cb 0.15 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.42 1nln h THR 50 CO -0.17 0.53 0.00 0.61 0.37 0.00 0.00 175.52 176.86 1nln n GLY 51 N 0.06 2.44 3.72 2.16 0.00 -1.04 -5.00 105.19 107.53 1nln n GLY 51 Ca -0.02 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1nln n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1nln s GLY 52 N 0.00 2.62 0.07 -0.02 0.00 -1.26 -4.64 107.32 104.09 1nln s GLY 52 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.80 1nln s GLY 52 CO 0.00 1.50 0.00 -0.62 0.00 0.00 0.00 173.10 173.98 1nln n VAL 53 N -2.33 0.35 -3.69 1.40 0.31 -1.26 -5.03 118.33 108.08 1nln n VAL 53 Ca 0.15 0.12 -0.13 0.00 -0.01 0.00 0.00 64.34 64.47 1nln n VAL 53 Cb 0.49 -1.21 -0.09 0.00 -0.91 0.00 0.00 33.84 32.12 1nln n VAL 53 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 1nln s HIS 54 N -2.00 -0.60 -0.02 3.52 5.65 -1.26 -5.01 115.29 115.57 1nln s HIS 54 Ca 0.00 1.43 -0.04 0.00 0.25 0.00 0.00 55.06 56.69 1nln s HIS 54 Cb 0.00 0.22 -0.04 0.00 -1.18 0.00 0.00 32.58 31.58 1nln s HIS 54 CO 0.00 -0.29 0.20 -1.58 -0.65 0.00 0.00 174.74 172.41 1nln s TRP 55 N 0.45 3.57 0.16 3.88 0.52 -1.26 -1.02 118.94 125.23 1nln s TRP 55 Ca -0.01 0.45 0.03 0.00 0.02 0.00 0.00 56.10 56.58 1nln s TRP 55 Cb -0.04 -1.89 -0.05 0.00 -1.15 0.00 0.00 33.47 30.34 1nln s TRP 55 CO -0.02 0.65 -0.05 0.00 0.02 0.00 0.00 176.95 177.56 1nln s MET 56 N -1.73 1.07 -0.04 4.98 0.23 -0.43 -4.50 119.30 118.88 1nln s MET 56 Ca 0.25 -1.49 0.07 0.00 -1.03 0.00 0.00 55.69 53.49 1nln s MET 56 Cb -0.13 -0.42 -0.01 0.00 -1.53 0.00 0.00 34.83 32.74 1nln s MET 56 CO 0.15 -0.03 -0.25 0.00 -2.03 0.00 0.00 175.02 172.86 1nln s ALA 57 N -3.51 2.16 0.05 3.16 0.00 -0.13 -0.61 121.76 122.89 1nln s ALA 57 Ca 0.20 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1nln s ALA 57 Cb 0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 1nln s ALA 57 CO 0.02 0.45 -0.19 -0.06 0.00 0.00 0.00 175.76 175.98 1nln s PHE 58 N -0.31 2.54 0.05 0.00 0.40 -0.43 -0.79 117.98 119.43 1nln s PHE 58 Ca 0.01 -0.27 -0.04 0.00 -0.60 0.00 0.00 56.93 56.03 1nln s PHE 58 Cb -0.12 -1.44 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 1nln s PHE 58 CO 0.02 0.27 0.06 0.00 0.70 0.00 0.00 175.22 176.27 1nln s ALA 59 N -0.95 0.08 -0.04 5.36 0.00 -0.41 -0.78 121.76 125.03 1nln s ALA 59 Ca 0.15 -0.74 -0.00 0.00 0.00 0.00 0.00 51.96 51.36 1nln s ALA 59 Cb -0.10 0.28 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1nln s ALA 59 CO 0.06 -0.35 0.01 -0.46 0.00 0.00 0.00 175.76 175.02 1nln s TRP 60 N -3.06 0.32 -0.34 0.00 -0.11 0.80 -0.16 118.94 116.40 1nln s TRP 60 Ca -0.01 0.02 -0.08 0.00 1.22 0.00 0.00 56.10 57.25 1nln s TRP 60 Cb 0.02 -0.48 0.03 0.00 -1.50 0.00 0.00 33.47 31.53 1nln s TRP 60 CO -0.07 -0.17 0.13 1.21 -4.62 0.00 0.00 176.95 173.43 1nln s ASN 61 N 1.39 5.42 0.39 5.86 3.84 0.09 -2.19 114.94 129.75 1nln s ASN 61 Ca -0.05 -1.02 0.28 0.00 0.21 0.00 0.00 52.86 52.28 1nln s ASN 61 Cb -0.13 -1.92 1.05 0.00 -0.55 0.00 0.00 41.25 39.70 1nln s ASN 61 CO -0.03 -0.32 1.82 1.55 -2.79 0.00 0.00 177.10 177.33 1nln h PRO 62 N 8.29 0.00 0.11 0.43 0.13 -1.84 0.43 132.00 139.55 1nln h PRO 62 Ca -0.25 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.56 1nln h PRO 62 Cb 1.10 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 1nln h PRO 62 CO 0.62 0.00 -1.70 0.00 -0.23 0.00 0.00 178.00 176.69 1nln h ARG 63 N 0.00 0.22 -0.02 0.86 3.08 -1.93 -3.33 114.38 113.26 1nln h ARG 63 Ca 0.00 -0.38 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1nln h ARG 63 Cb 0.54 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.73 1nln h ARG 63 CO 0.00 1.05 -0.23 -1.13 -1.07 0.00 0.00 179.97 178.59 1nln n SER 64 N -3.40 1.91 -3.77 7.04 3.41 -1.20 -4.96 113.62 112.65 1nln n SER 64 Ca -0.21 -1.47 -0.24 0.00 -0.26 0.00 0.00 58.87 56.69 1nln n SER 64 Cb 1.05 0.20 0.03 0.00 -0.26 0.00 0.00 64.21 65.23 1nln n SER 64 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nln n LYS 65 N 0.17 -5.20 -4.35 4.33 4.76 0.10 -4.72 118.16 113.25 1nln n LYS 65 Ca 0.13 0.62 -0.34 0.00 -2.87 0.00 0.00 58.31 55.85 1nln n LYS 65 Cb 0.45 -5.30 -0.12 0.00 -1.84 0.00 0.00 35.03 28.23 1nln n LYS 65 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1nln s THR 66 N -3.55 4.02 -0.28 -0.18 2.01 -0.92 -0.91 115.64 115.83 1nln s THR 66 Ca 0.23 -0.31 -0.07 0.00 0.31 0.00 0.00 61.69 61.84 1nln s THR 66 Cb -0.11 -2.77 -0.00 0.00 0.01 0.00 0.00 72.50 69.63 1nln s THR 66 CO 0.82 0.49 0.08 0.00 -0.69 0.00 0.00 174.62 175.31 1nln s TYR 68 N 1.54 3.69 -0.18 0.00 1.51 0.78 -1.31 117.35 123.38 1nln s TYR 68 Ca 0.04 0.85 0.01 0.00 -1.01 0.00 0.00 57.07 56.96 1nln s TYR 68 Cb -0.16 -2.18 0.02 0.00 -0.11 0.00 0.00 41.96 39.53 1nln s TYR 68 CO 0.03 0.67 -0.18 -1.17 -1.11 0.00 0.00 175.55 173.79 1nln s LEU 69 N -1.05 2.13 -0.39 -1.29 2.96 -0.28 -1.29 118.68 119.47 1nln s LEU 69 Ca 0.21 -0.67 0.00 0.00 -0.22 0.00 0.00 54.13 53.45 1nln s LEU 69 Cb -0.15 -1.41 0.11 0.00 0.50 0.00 0.00 46.19 45.23 1nln s LEU 69 CO 0.10 -0.03 0.14 0.12 -1.32 0.00 0.00 176.35 175.37 1nln s PHE 70 N 1.32 3.66 -0.23 5.38 5.36 0.03 -1.34 117.98 132.16 1nln s PHE 70 Ca 0.04 -2.70 -0.06 0.00 -0.96 0.00 0.00 56.93 53.24 1nln s PHE 70 Cb -0.14 -3.09 -0.02 0.00 -0.34 0.00 0.00 43.02 39.43 1nln s PHE 70 CO -0.12 -0.96 0.03 -2.00 -1.46 0.00 0.00 175.22 170.72 1nln s GLU 71 N 0.98 3.59 0.64 10.12 -6.30 -1.26 -0.95 118.70 125.51 1nln s GLU 71 Ca 0.10 -0.52 0.34 0.00 -2.50 0.00 0.00 54.97 52.39 1nln s GLU 71 Cb -0.21 -3.21 1.85 0.00 0.00 0.00 0.00 34.13 32.56 1nln s GLU 71 CO -0.06 -0.16 2.09 -1.35 0.02 0.00 0.00 175.26 175.80 1nln h PRO 72 N 8.09 0.00 0.00 4.30 0.11 -1.91 0.17 132.00 142.77 1nln h PRO 72 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1nln h PRO 72 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nln h PRO 72 CO 0.59 0.00 -0.64 1.19 -0.21 0.00 0.00 178.00 178.93 1nln n PHE 73 N -3.22 0.12 -2.13 0.65 0.99 -1.26 -0.93 117.46 111.69 1nln n PHE 73 Ca -0.01 0.04 -0.12 0.00 -0.00 0.00 0.00 57.45 57.36 1nln n PHE 73 Cb 0.30 -0.32 -0.01 0.00 -1.00 0.00 0.00 39.48 38.45 1nln n PHE 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1nln n GLY 74 N 1.46 0.04 3.73 1.37 0.00 0.05 -3.06 105.19 108.78 1nln n GLY 74 Ca 0.04 -0.39 -0.35 0.00 0.00 0.00 0.00 46.02 45.32 1nln n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nln s PHE 75 N -2.58 2.18 0.97 1.61 2.99 -1.26 -4.30 117.98 117.58 1nln s PHE 75 Ca 0.00 1.56 -0.12 0.00 0.00 0.00 0.00 56.93 58.38 1nln s PHE 75 Cb 0.00 -3.47 0.17 0.00 0.00 0.00 0.00 43.02 39.72 1nln s PHE 75 CO 0.00 -2.48 1.09 -1.54 -0.00 0.00 0.00 175.22 172.29 1nln s SER 76 N -1.92 2.84 0.21 1.36 1.04 -1.26 -4.74 113.70 111.24 1nln s SER 76 Ca 0.75 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 58.46 1nln s SER 76 Cb -0.30 -2.05 0.18 0.00 0.10 0.00 0.00 66.02 63.95 1nln s SER 76 CO 0.42 -3.02 1.88 0.44 0.98 0.00 0.00 173.24 173.93 1nln h ASP 77 N -1.81 0.86 -0.69 7.02 3.45 -1.98 0.38 116.42 123.64 1nln h ASP 77 Ca -0.53 -0.02 -0.06 0.00 0.43 0.00 0.00 57.03 56.86 1nln h ASP 77 Cb 1.31 -0.21 -0.03 0.00 -0.56 0.00 0.00 39.33 39.84 1nln h ASP 77 CO 0.55 0.61 0.20 -0.61 -1.57 0.00 0.00 179.24 178.42 1nln h GLN 78 N 1.01 1.08 -0.10 3.56 4.15 -1.96 -2.26 115.11 120.59 1nln h GLN 78 Ca 0.29 -0.24 -0.08 0.00 0.77 0.00 0.00 58.65 59.39 1nln h GLN 78 Cb -0.08 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.45 1nln h GLN 78 CO -0.08 0.94 -0.31 0.00 -1.93 0.00 0.00 178.83 177.46 1nln h ARG 79 N 1.01 0.20 -0.57 1.69 2.47 -1.74 0.90 114.38 118.34 1nln h ARG 79 Ca 0.22 -0.07 -0.08 0.00 -1.26 0.00 0.00 59.98 58.79 1nln h ARG 79 Cb 0.32 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.61 1nln h ARG 79 CO -0.00 0.49 0.04 -0.07 0.56 0.00 0.00 179.97 180.99 1nln h LEU 80 N 0.17 0.92 -0.17 3.04 3.38 -0.61 0.19 115.31 122.23 1nln h LEU 80 Ca 0.02 -0.23 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1nln h LEU 80 Cb 0.64 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1nln h LEU 80 CO 0.05 0.95 -0.35 0.50 0.09 0.00 0.00 178.44 179.68 1nln h LYS 81 N 0.89 0.55 -0.06 1.13 3.64 -1.09 -0.62 116.57 121.00 1nln h LYS 81 Ca 0.17 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1nln h LYS 81 Cb 0.46 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1nln h LYS 81 CO 0.02 0.97 0.02 1.96 -2.27 0.00 0.00 179.45 180.14 1nln h GLN 82 N 0.20 0.10 -0.01 1.90 4.20 -0.55 -0.64 115.11 120.31 1nln h GLN 82 Ca 0.01 -0.02 -0.18 0.00 0.06 0.00 0.00 58.65 58.52 1nln h GLN 82 Cb 0.95 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.73 1nln h GLN 82 CO 0.08 0.29 -0.69 0.28 -0.67 0.00 0.00 178.83 178.12 1nln h VAL 83 N -0.11 1.39 0.00 -0.54 2.07 -0.71 -3.40 116.25 114.95 1nln h VAL 83 Ca 0.02 -2.10 0.00 0.00 0.82 0.00 0.00 66.70 65.44 1nln h VAL 83 Cb 0.23 2.53 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 1nln h VAL 83 CO -0.00 0.62 0.00 -1.22 0.02 0.00 0.00 177.57 176.99 1nln n TYR 84 N -4.14 0.00 -3.48 1.57 4.02 -0.27 -4.99 117.16 109.87 1nln n TYR 84 Ca -0.10 -0.22 -0.25 0.00 -0.01 0.00 0.00 57.90 57.32 1nln n TYR 84 Cb 0.71 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 40.03 1nln n TYR 84 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1nln n GLN 85 N -0.22 -4.54 -4.75 -0.72 3.00 -0.25 -4.78 117.38 105.12 1nln n GLN 85 Ca 0.00 0.62 -0.33 0.00 -0.01 0.00 0.00 57.00 57.28 1nln n GLN 85 Cb 0.16 -5.44 -0.14 0.00 0.00 0.00 0.00 30.24 24.82 1nln n GLN 85 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.06 177.18 1nln s PHE 86 N -3.12 2.82 0.07 1.08 5.36 -1.02 -4.94 117.98 118.23 1nln s PHE 86 Ca 0.47 -0.56 0.04 0.00 -0.96 0.00 0.00 56.93 55.92 1nln s PHE 86 Cb -0.24 -1.83 -0.03 0.00 -0.34 0.00 0.00 43.02 40.58 1nln s PHE 86 CO 0.58 -0.15 -0.10 -1.21 -1.46 0.00 0.00 175.22 172.88 1nln s GLU 87 N 0.23 0.74 -0.05 10.12 2.02 -1.26 -3.29 118.70 127.20 1nln s GLU 87 Ca -0.08 -0.97 0.12 0.00 0.02 0.00 0.00 54.97 54.06 1nln s GLU 87 Cb -0.15 -0.53 0.23 0.00 0.10 0.00 0.00 34.13 33.77 1nln s GLU 87 CO 0.05 0.10 1.10 2.48 0.02 0.00 0.00 175.26 179.01 1nln n TYR 88 N 1.05 0.00 -0.23 1.61 0.18 -1.26 -4.83 117.16 113.68 1nln n TYR 88 Ca -0.20 -0.52 -0.07 0.00 1.88 0.00 0.00 57.90 59.00 1nln n TYR 88 Cb 0.56 -0.12 0.04 0.00 -0.38 0.00 0.00 39.34 39.43 1nln n TYR 88 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1nln h GLU 89 N 0.42 0.96 -0.70 -3.48 4.57 -2.00 -2.33 114.58 112.02 1nln h GLU 89 Ca -0.07 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 1nln h GLU 89 Cb 1.42 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 29.82 1nln h GLU 89 CO 0.03 0.80 0.25 0.77 -1.18 0.00 0.00 179.01 179.68 1nln h SER 90 N 0.90 0.98 0.55 1.04 0.02 -1.97 -0.75 113.55 114.33 1nln h SER 90 Ca 0.22 -0.19 -0.11 0.00 -0.84 0.00 0.00 61.79 60.87 1nln h SER 90 Cb 0.19 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1nln h SER 90 CO -0.02 0.91 -0.51 0.17 -1.14 0.00 0.00 176.83 176.23 1nln h LEU 91 N 1.00 0.00 -0.35 5.07 8.10 -1.74 -0.90 115.31 126.50 1nln h LEU 91 Ca 0.23 0.00 -0.16 0.00 0.11 0.00 0.00 57.88 58.06 1nln h LEU 91 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.46 1nln h LEU 91 CO -0.01 0.51 -0.42 -0.07 -4.11 0.00 0.00 178.44 174.34 1nln h LEU 92 N 0.00 0.97 -0.25 0.17 3.38 -0.88 -1.29 115.31 117.40 1nln h LEU 92 Ca -0.01 -0.49 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1nln h LEU 92 Cb 0.93 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1nln h LEU 92 CO 0.07 1.26 0.08 -0.09 0.09 0.00 0.00 178.44 179.84 1nln h ARG 93 N 0.69 0.39 -0.94 1.13 2.43 -0.89 -1.33 114.38 115.87 1nln h ARG 93 Ca 0.05 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1nln h ARG 93 Cb 1.01 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1nln h ARG 93 CO 0.10 0.47 0.60 0.00 -1.51 0.00 0.00 179.97 179.63 1nln h ARG 94 N 0.24 1.26 -0.55 0.20 3.08 -1.13 -1.42 114.38 116.05 1nln h ARG 94 Ca 0.08 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 1nln h ARG 94 Cb 0.24 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1nln h ARG 94 CO -0.00 0.85 0.24 0.77 -1.07 0.00 0.00 179.97 180.76 1nln h SER 95 N 1.29 0.74 -0.32 7.04 0.02 -0.94 -1.57 113.55 119.81 1nln h SER 95 Ca 0.34 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 61.05 1nln h SER 95 Cb -0.11 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.23 1nln h SER 95 CO -0.07 0.69 -0.16 0.00 -1.14 0.00 0.00 176.83 176.14 1nln h ALA 96 N 1.08 0.45 -0.36 3.77 0.00 -0.87 -0.07 119.26 123.26 1nln h ALA 96 Ca 0.19 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1nln h ALA 96 Cb 0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1nln h ALA 96 CO -0.02 0.37 -0.23 0.82 0.00 0.00 0.00 179.25 180.19 1nln h ILE 97 N 0.44 1.27 0.10 0.00 2.04 -1.16 -1.77 117.51 118.44 1nln h ILE 97 Ca 0.07 -1.32 -0.27 0.00 1.00 0.00 0.00 64.86 64.35 1nln h ILE 97 Cb 0.70 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1nln h ILE 97 CO 0.05 0.44 -1.24 0.00 0.00 0.00 0.00 178.15 177.40 1nln h ALA 98 N 1.13 0.18 -0.01 1.87 0.00 -1.24 -3.40 119.26 117.79 1nln h ALA 98 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 54.07 1nln h ALA 98 Cb 0.72 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nln h ALA 98 CO 0.06 1.06 -0.11 0.43 0.00 0.00 0.00 179.25 180.68 1nln n SER 99 N -3.48 1.52 -3.73 0.00 7.64 -0.05 -4.54 113.62 110.99 1nln n SER 99 Ca -0.08 -1.26 -0.21 0.00 1.01 0.00 0.00 58.87 58.33 1nln n SER 99 Cb 1.01 0.25 -0.18 0.00 -1.01 0.00 0.00 64.21 64.29 1nln n SER 99 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1nln s SER 100 N -1.14 1.32 0.41 6.43 0.15 -0.67 -4.33 113.70 115.88 1nln s SER 100 Ca 0.10 -0.01 0.19 0.00 0.70 0.00 0.00 55.95 56.94 1nln s SER 100 Cb 0.08 -0.29 1.13 0.00 -1.71 0.00 0.00 66.02 65.23 1nln s SER 100 CO 0.20 -0.21 1.80 -0.65 1.20 0.00 0.00 173.24 175.57 1nln h PRO 101 N 8.32 0.36 -0.04 5.44 0.11 -1.90 0.19 132.00 144.48 1nln h PRO 101 Ca -0.18 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.91 1nln h PRO 101 Cb 1.12 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1nln h PRO 101 CO 0.22 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 177.85 1nln n ASP 102 N -4.56 0.49 -1.96 -2.05 3.85 -1.26 -4.90 116.55 106.16 1nln n ASP 102 Ca 0.24 -1.43 -0.19 0.00 -0.71 0.00 0.00 54.79 52.70 1nln n ASP 102 Cb 0.85 -0.02 -0.05 0.00 -1.35 0.00 0.00 41.12 40.55 1nln n ASP 102 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 1nln n ARG 103 N -0.50 -1.61 -4.37 0.11 1.74 0.67 -4.99 116.66 107.72 1nln n ARG 103 Ca 0.16 1.00 -0.28 0.00 -0.77 0.00 0.00 57.85 57.97 1nln n ARG 103 Cb 0.15 -5.49 -0.13 0.00 -1.02 0.00 0.00 32.46 25.97 1nln n ARG 103 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nln s ILE 105 N -1.09 0.08 -0.24 0.00 -4.36 -1.26 -4.81 121.20 109.51 1nln s ILE 105 Ca 0.12 -1.90 -0.09 0.00 -0.26 0.00 0.00 60.65 58.53 1nln s ILE 105 Cb -0.10 -2.14 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1nln s ILE 105 CO 0.06 -0.34 0.12 -0.89 0.24 0.00 0.00 174.94 174.12 1nln s THR 106 N -4.07 4.89 -0.17 8.37 2.01 -0.09 -5.00 115.64 121.58 1nln s THR 106 Ca 0.27 0.02 -0.19 0.00 0.31 0.00 0.00 61.69 62.10 1nln s THR 106 Cb 0.07 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 1nln s THR 106 CO 0.04 0.34 0.56 -0.22 -0.69 0.00 0.00 174.62 174.64 1nln s LEU 107 N 1.32 4.20 -0.21 4.42 2.96 -1.26 -0.68 118.68 129.42 1nln s LEU 107 Ca 0.06 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1nln s LEU 107 Cb -0.15 -2.79 0.04 0.00 0.50 0.00 0.00 46.19 43.80 1nln s LEU 107 CO 0.05 -0.15 -0.14 -0.70 -1.32 0.00 0.00 176.35 174.09 1nln s GLU 108 N 1.37 2.43 0.03 1.98 2.12 -0.43 -4.96 118.70 121.24 1nln s GLU 108 Ca 0.27 -1.02 0.08 0.00 0.36 0.00 0.00 54.97 54.66 1nln s GLU 108 Cb -0.16 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.58 1nln s GLU 108 CO 0.11 -0.40 -0.22 -1.59 -0.54 0.00 0.00 175.26 172.61 1nln s LYS 109 N 1.26 1.56 0.36 4.30 -2.85 -1.26 -1.12 119.74 121.98 1nln s LYS 109 Ca -0.02 -0.93 -0.28 0.00 -1.00 0.00 0.00 55.97 53.74 1nln s LYS 109 Cb -0.16 -1.64 -0.10 0.00 -2.06 0.00 0.00 37.83 33.86 1nln s LYS 109 CO -0.09 0.43 1.31 0.45 0.10 0.00 0.00 175.35 177.56 1nln s SER 110 N -1.02 6.61 -0.14 0.03 0.15 -0.45 -4.93 113.70 113.95 1nln s SER 110 Ca 0.08 2.70 0.18 0.00 0.70 0.00 0.00 55.95 59.61 1nln s SER 110 Cb -0.09 -2.65 0.35 0.00 -1.71 0.00 0.00 66.02 61.92 1nln s SER 110 CO 0.01 -0.65 1.22 0.35 1.20 0.00 0.00 173.24 175.38 1nln n THR 111 N 0.57 1.98 -4.23 6.45 -2.24 -1.26 -4.64 114.28 110.91 1nln n THR 111 Ca 0.01 -2.14 -0.13 0.00 -2.27 0.00 0.00 64.05 59.52 1nln n THR 111 Cb 0.42 -0.23 -0.10 0.00 -2.10 0.00 0.00 70.33 68.32 1nln n THR 111 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1nln s GLN 112 N -2.83 1.03 -0.04 -0.78 -0.21 -1.26 -4.20 119.66 111.37 1nln s GLN 112 Ca 0.34 -1.44 -0.16 0.00 0.02 0.00 0.00 55.36 54.11 1nln s GLN 112 Cb 0.29 -0.49 -0.05 0.00 1.00 0.00 0.00 33.01 33.76 1nln s GLN 112 CO 0.05 0.02 0.44 0.45 -2.12 0.00 0.00 175.29 174.13 1nln s SER 113 N -3.15 6.78 -0.01 5.90 0.15 0.43 -3.07 113.70 120.73 1nln s SER 113 Ca 0.17 0.93 0.13 0.00 0.70 0.00 0.00 55.95 57.88 1nln s SER 113 Cb 0.04 -2.27 -0.18 0.00 -1.71 0.00 0.00 66.02 61.90 1nln s SER 113 CO 0.00 0.20 0.41 1.33 1.20 0.00 0.00 173.24 176.39 1nln n VAL 114 N 2.49 0.00 -4.19 4.45 0.24 -0.10 -0.84 118.33 120.38 1nln n VAL 114 Ca -0.11 -0.26 -0.36 0.00 -2.04 0.00 0.00 64.34 61.58 1nln n VAL 114 Cb 0.52 0.55 -0.08 0.00 -1.47 0.00 0.00 33.84 33.36 1nln n VAL 114 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1nln s GLN 115 N -2.62 3.15 0.58 7.34 0.74 -1.19 -4.72 119.66 122.94 1nln s GLN 115 Ca -0.01 -0.30 -0.18 0.00 0.05 0.00 0.00 55.36 54.92 1nln s GLN 115 Cb 0.09 -2.94 -0.04 0.00 1.10 0.00 0.00 33.01 31.22 1nln s GLN 115 CO 0.55 0.73 1.14 0.20 -0.55 0.00 0.00 175.29 177.37 1nln s GLY 116 N -0.94 2.56 0.55 2.59 0.00 -1.26 -4.89 107.32 105.93 1nln s GLY 116 Ca 0.14 0.82 0.22 0.00 0.00 0.00 0.00 44.72 45.90 1nln s GLY 116 CO 0.03 1.18 2.16 -0.56 0.00 0.00 0.00 173.10 175.91 1nln h PRO 117 N 0.89 0.00 -0.55 2.90 0.13 -1.89 -1.04 132.00 132.44 1nln h PRO 117 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1nln h PRO 117 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1nln h PRO 117 CO 0.56 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.42 1nln n ASN 118 N -4.23 3.53 -4.85 1.44 3.02 -1.26 -4.98 115.26 107.92 1nln n ASN 118 Ca -0.01 -1.98 -0.31 0.00 -0.03 0.00 0.00 54.58 52.24 1nln n ASN 118 Cb 0.16 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 38.93 1nln n ASN 118 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1nln s SER 119 N -1.08 6.59 -0.26 6.41 0.15 -0.40 -1.07 113.70 124.05 1nln s SER 119 Ca 0.39 1.39 0.09 0.00 0.70 0.00 0.00 55.95 58.52 1nln s SER 119 Cb 0.21 -2.43 0.45 0.00 -1.71 0.00 0.00 66.02 62.53 1nln s SER 119 CO 0.28 -0.50 1.28 0.00 1.20 0.00 0.00 173.24 175.50 1nln n ALA 120 N -1.41 4.19 -0.81 5.45 0.00 -0.99 -4.73 120.51 122.21 1nln n ALA 120 Ca 0.05 -3.41 0.08 0.00 0.00 0.00 0.00 53.44 50.16 1nln n ALA 120 Cb 0.54 -0.45 0.39 0.00 0.00 0.00 0.00 19.45 19.94 1nln n ALA 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nln n ALA 121 N -1.02 3.61 -0.18 0.00 0.00 -1.11 -4.36 120.51 117.46 1nln n ALA 121 Ca 0.29 -1.82 -0.01 0.00 0.00 0.00 0.00 53.44 51.90 1nln n ALA 121 Cb 0.82 -1.09 0.08 0.00 0.00 0.00 0.00 19.45 19.26 1nln n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nln h GLY 123 N 0.14 1.17 0.95 0.00 0.00 -1.83 -1.61 103.07 101.87 1nln h GLY 123 Ca 0.28 -0.81 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1nln h GLY 123 CO -0.45 0.75 0.13 1.41 0.00 0.00 0.00 176.54 178.38 1nln h LEU 124 N 1.00 0.62 -1.06 3.11 3.38 -1.66 -1.54 115.31 119.17 1nln h LEU 124 Ca 0.19 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.01 1nln h LEU 124 Cb 0.50 -0.16 -0.07 0.00 0.09 0.00 0.00 40.66 41.02 1nln h LEU 124 CO 0.02 0.67 0.63 -0.26 0.09 0.00 0.00 178.44 179.59 1nln h PHE 125 N 0.55 1.15 -1.00 1.13 -1.00 -0.84 -1.39 116.94 115.54 1nln h PHE 125 Ca 0.14 0.03 0.01 0.00 2.81 0.00 0.00 57.97 60.95 1nln h PHE 125 Cb 0.27 -0.38 -0.05 0.00 3.61 0.00 0.00 35.95 39.41 1nln h PHE 125 CO 0.01 0.59 0.65 0.00 -1.61 0.00 0.00 178.31 177.96 1nln h MET 128 N 0.53 0.85 -0.43 0.00 -1.53 -0.76 -1.55 114.93 112.04 1nln h MET 128 Ca 0.15 -0.06 -0.05 0.00 -3.44 0.00 0.00 59.70 56.30 1nln h MET 128 Cb -0.04 -0.18 -0.02 0.00 -0.55 0.00 0.00 31.60 30.80 1nln h MET 128 CO -0.04 0.58 0.07 0.35 0.14 0.00 0.00 176.91 178.01 1nln h PHE 129 N 0.86 0.67 0.00 1.39 3.57 -0.96 -2.41 116.94 120.06 1nln h PHE 129 Ca 0.23 -0.06 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 1nln h PHE 129 Cb -0.07 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1nln h PHE 129 CO -0.02 0.60 -0.37 -0.07 -2.23 0.00 0.00 178.31 176.21 1nln h LEU 130 N 0.63 0.00 -0.61 0.59 3.38 -0.58 0.16 115.31 118.88 1nln h LEU 130 Ca 0.14 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1nln h LEU 130 Cb 0.29 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1nln h LEU 130 CO 0.00 0.37 0.07 -0.74 0.09 0.00 0.00 178.44 178.23 1nln h HIS 131 N 0.00 1.10 -0.54 1.13 2.76 -0.86 -0.24 115.15 118.51 1nln h HIS 131 Ca -0.00 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 58.01 1nln h HIS 131 Cb 0.89 -0.30 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 1nln h HIS 131 CO 0.00 0.95 0.35 0.00 -1.30 0.00 0.00 177.93 177.94 1nln h ALA 132 N 1.01 0.68 -0.41 5.26 0.00 -0.92 -2.34 119.26 122.56 1nln h ALA 132 Ca 0.18 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1nln h ALA 132 Cb 0.47 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1nln h ALA 132 CO 0.02 0.13 0.05 0.35 0.00 0.00 0.00 179.25 179.80 1nln h PHE 133 N 0.73 0.73 0.00 0.00 3.57 -0.78 0.45 116.94 121.64 1nln h PHE 133 Ca 0.20 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 1nln h PHE 133 Cb -0.08 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 1nln h PHE 133 CO -0.04 0.72 -0.17 0.00 -2.23 0.00 0.00 178.31 176.59 1nln h ALA 134 N 0.92 1.38 0.00 2.41 0.00 -0.86 -2.46 119.26 120.64 1nln h ALA 134 Ca 0.12 -0.16 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1nln h ALA 134 Cb 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1nln h ALA 134 CO 0.01 0.22 -2.19 0.09 0.00 0.00 0.00 179.25 177.37 1nln n ASN 135 N -3.84 0.09 -3.21 0.00 3.02 -0.90 -4.72 115.26 105.71 1nln n ASN 135 Ca -0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 54.58 54.30 1nln n ASN 135 Cb 0.27 1.43 -0.06 0.00 -0.61 0.00 0.00 39.78 40.81 1nln n ASN 135 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1nln n TRP 136 N -2.52 0.64 0.85 3.10 8.01 0.16 -4.98 117.44 122.69 1nln n TRP 136 Ca -0.20 -3.74 0.08 0.00 -1.31 0.00 0.00 57.50 52.33 1nln n TRP 136 Cb 0.89 -0.41 0.42 0.00 -2.01 0.00 0.00 31.31 30.20 1nln n TRP 136 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 1nln n PRO 137 N 0.93 0.35 -0.00 -0.99 -0.04 -0.93 -1.36 135.00 132.96 1nln n PRO 137 Ca 0.24 0.07 0.09 0.00 -0.04 0.00 0.00 63.50 63.86 1nln n PRO 137 Cb 0.54 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 1nln n PRO 137 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1nln n GLN 138 N -1.14 0.46 -2.80 0.54 6.02 -1.26 -4.66 117.38 114.54 1nln n GLN 138 Ca 0.09 -0.01 -0.11 0.00 -0.01 0.00 0.00 57.00 56.97 1nln n GLN 138 Cb 0.09 -1.44 0.05 0.00 1.02 0.00 0.00 30.24 29.96 1nln n GLN 138 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 1nln n THR 139 N -1.49 0.29 0.17 5.09 5.66 -0.47 -4.99 114.28 118.54 1nln n THR 139 Ca 0.03 -2.72 0.04 0.00 -3.05 0.00 0.00 64.05 58.35 1nln n THR 139 Cb 0.32 0.69 0.28 0.00 -1.55 0.00 0.00 70.33 70.07 1nln n THR 139 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1nln h PRO 140 N 2.74 0.00 -0.14 1.09 0.13 -1.68 -3.30 132.00 130.84 1nln h PRO 140 Ca -0.10 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.87 1nln h PRO 140 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 1nln h PRO 140 CO 0.28 0.44 -0.58 0.52 -0.23 0.00 0.00 178.00 178.44 1nln h MET 141 N 0.00 0.44 -3.07 0.86 2.86 -1.94 -3.44 114.93 110.65 1nln h MET 141 Ca -0.00 -0.29 0.01 0.00 -2.06 0.00 0.00 59.70 57.35 1nln h MET 141 Cb 0.97 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 32.64 1nln h MET 141 CO 0.06 0.90 0.22 0.34 1.06 0.00 0.00 176.91 179.49 1nln s ASP 142 N -6.92 -0.07 -1.30 1.22 2.15 -1.24 -4.90 116.67 105.61 1nln s ASP 142 Ca -0.06 -0.93 -0.00 0.00 0.43 0.00 0.00 52.55 51.99 1nln s ASP 142 Cb 0.11 0.78 0.00 0.00 -0.30 0.00 0.00 42.92 43.52 1nln s ASP 142 CO 0.83 -1.51 0.75 1.41 -0.17 0.00 0.00 175.17 176.47 1nln n HIS 143 N -0.50 -1.96 -3.72 -5.34 8.25 -1.26 -4.89 115.22 105.81 1nln n HIS 143 Ca -0.06 0.86 -0.13 0.00 -0.26 0.00 0.00 57.72 58.13 1nln n HIS 143 Cb 0.60 -4.49 -0.07 0.00 1.12 0.00 0.00 29.99 27.14 1nln n HIS 143 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1nln s ASN 144 N -4.34 -0.22 0.49 0.41 4.22 -1.26 -5.02 114.94 109.22 1nln s ASN 144 Ca 0.02 -0.01 0.22 0.00 -2.14 0.00 0.00 52.86 50.94 1nln s ASN 144 Cb -0.01 0.38 1.27 0.00 1.28 0.00 0.00 41.25 44.17 1nln s ASN 144 CO 0.80 -0.59 1.98 -0.65 -2.04 0.00 0.00 177.10 176.60 1nln h PRO 145 N 3.31 0.14 0.04 3.55 0.11 -1.97 0.08 132.00 137.26 1nln h PRO 145 Ca -0.31 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1nln h PRO 145 Cb 1.19 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1nln h PRO 145 CO 0.43 0.09 -0.02 1.15 -0.21 0.00 0.00 178.00 179.45 1nln h THR 146 N 0.14 0.96 0.00 -1.15 2.02 -1.96 -3.34 112.91 109.58 1nln h THR 146 Ca 0.28 -1.61 -0.00 0.00 0.77 0.00 0.00 66.41 65.85 1nln h THR 146 Cb 0.92 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1nln h THR 146 CO -0.04 0.31 -0.01 0.24 0.37 0.00 0.00 175.52 176.39 1nln h MET 147 N -0.97 0.00 0.00 6.66 2.86 -1.84 -2.09 114.93 119.56 1nln h MET 147 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1nln h MET 147 Cb 0.55 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1nln h MET 147 CO 0.01 0.01 0.00 -0.91 1.06 0.00 0.00 176.91 177.08 1nln h ASN 148 N 0.00 0.00 1.39 1.22 2.35 -1.09 -2.49 115.58 116.95 1nln h ASN 148 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1nln h ASN 148 Cb 0.44 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.81 1nln h ASN 148 CO 0.00 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.71 1nln h LEU 149 N 0.00 0.00 -9.08 1.61 3.38 -1.52 -3.45 115.31 106.24 1nln h LEU 149 Ca 0.00 0.00 -0.56 0.00 0.09 0.00 0.00 57.88 57.41 1nln h LEU 149 Cb 0.20 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 1nln h LEU 149 CO 0.00 0.00 -0.76 0.27 0.09 0.00 0.00 178.44 178.04 1nln s ILE 150 N -3.45 2.20 -0.09 1.22 -4.36 -0.94 -4.85 121.20 110.94 1nln s ILE 150 Ca 0.04 -2.30 -0.01 0.00 -0.26 0.00 0.00 60.65 58.12 1nln s ILE 150 Cb 0.08 -2.19 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1nln s ILE 150 CO 0.58 -0.44 -0.03 -0.89 0.24 0.00 0.00 174.94 174.40 1nln s THR 151 N -2.59 0.61 0.64 8.37 2.01 -1.26 -4.98 115.64 118.45 1nln s THR 151 Ca 0.26 -0.03 -0.13 0.00 0.31 0.00 0.00 61.69 62.10 1nln s THR 151 Cb -0.04 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 1nln s THR 151 CO 0.12 0.30 1.05 -0.83 -0.69 0.00 0.00 174.62 174.57 1nln s GLY 152 N 1.86 1.87 0.14 4.40 0.00 -1.26 -4.68 107.32 109.65 1nln s GLY 152 Ca 0.05 0.20 0.04 0.00 0.00 0.00 0.00 44.72 45.01 1nln s GLY 152 CO -0.06 0.51 -0.10 -1.34 0.00 0.00 0.00 173.10 172.12 1nln s VAL 153 N -2.79 1.08 0.20 1.40 -7.23 -0.02 -4.89 120.40 108.15 1nln s VAL 153 Ca 0.60 -2.03 -0.33 0.00 -1.81 0.00 0.00 61.98 58.42 1nln s VAL 153 Cb -0.14 -1.80 -0.14 0.00 0.56 0.00 0.00 36.38 34.86 1nln s VAL 153 CO 0.46 -0.76 1.49 -2.65 -0.31 0.00 0.00 175.10 173.33 1nln n PRO 154 N -0.14 2.07 0.25 4.82 -0.02 -1.26 -0.43 135.00 140.28 1nln n PRO 154 Ca -0.11 0.74 0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1nln n PRO 154 Cb 0.60 -2.45 0.63 0.00 -0.02 0.00 0.00 33.50 32.26 1nln n PRO 154 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1nln h ASN 155 N 5.05 0.00 0.46 2.55 -1.24 -1.83 -0.35 115.58 120.22 1nln h ASN 155 Ca -0.45 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.56 1nln h ASN 155 Cb 1.27 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.32 1nln h ASN 155 CO 0.82 0.09 0.00 -1.54 -1.29 0.00 0.00 177.43 175.51 1nln n SER 156 N -4.26 0.13 -0.86 1.15 3.41 -1.26 -1.98 113.62 109.94 1nln n SER 156 Ca -0.03 0.54 0.07 0.00 -0.26 0.00 0.00 58.87 59.19 1nln n SER 156 Cb 0.17 -0.56 0.21 0.00 -0.26 0.00 0.00 64.21 63.76 1nln n SER 156 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1nln n MET 157 N -1.65 2.88 -0.33 4.33 2.81 -0.14 -4.74 117.12 120.28 1nln n MET 157 Ca 0.03 -2.27 0.19 0.00 -1.81 0.00 0.00 57.70 53.84 1nln n MET 157 Cb 0.15 -1.39 0.41 0.00 -0.71 0.00 0.00 33.22 31.68 1nln n MET 157 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1nln h LEU 158 N 2.66 0.47 -1.89 4.03 5.85 -1.37 -0.72 115.31 124.34 1nln h LEU 158 Ca 0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1nln h LEU 158 Cb 0.85 0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.01 1nln h LEU 158 CO 0.02 -0.05 0.00 0.59 -0.34 0.00 0.00 178.44 178.66 1nln n ASN 159 N -5.02 2.86 -4.77 1.25 3.02 -1.26 -4.48 115.26 106.85 1nln n ASN 159 Ca 0.28 -1.90 -0.38 0.00 -0.03 0.00 0.00 54.58 52.54 1nln n ASN 159 Cb 0.84 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 39.81 1nln n ASN 159 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1nln s SER 160 N -1.66 7.18 0.29 6.41 1.04 -0.28 -4.93 113.70 121.76 1nln s SER 160 Ca 0.35 2.05 0.01 0.00 0.48 0.00 0.00 55.95 58.84 1nln s SER 160 Cb 0.21 -2.60 0.55 0.00 0.10 0.00 0.00 66.02 64.27 1nln s SER 160 CO 0.30 -0.19 1.87 -0.65 0.98 0.00 0.00 173.24 175.55 1nln h PRO 161 N 3.31 0.98 0.00 4.02 0.11 -1.93 -2.96 132.00 135.53 1nln h PRO 161 Ca -0.47 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1nln h PRO 161 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1nln h PRO 161 CO 0.65 0.65 0.00 -0.56 -0.21 0.00 0.00 178.00 178.53 1nln h GLN 162 N 1.01 0.00 -0.01 1.05 -0.00 -1.92 -1.71 115.11 113.53 1nln h GLN 162 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.10 1nln h GLN 162 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.85 1nln h GLN 162 CO -0.21 0.00 -0.64 1.33 -0.00 0.00 0.00 178.83 179.31 1nln n VAL 163 N -2.80 0.00 -0.26 1.86 0.24 -1.12 -4.55 118.33 111.71 1nln n VAL 163 Ca -0.01 -0.14 -0.02 0.00 -2.04 0.00 0.00 64.34 62.14 1nln n VAL 163 Cb 0.17 1.03 0.10 0.00 -1.47 0.00 0.00 33.84 33.67 1nln n VAL 163 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 1nln h GLN 164 N 1.32 0.81 -0.72 7.34 1.08 -1.39 -2.07 115.11 121.48 1nln h GLN 164 Ca 0.00 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1nln h GLN 164 Cb 0.63 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.84 1nln h GLN 164 CO 0.00 0.53 0.48 -1.35 -0.95 0.00 0.00 178.83 177.54 1nln h PRO 165 N 0.83 0.92 -0.22 1.46 0.11 -1.80 0.13 132.00 133.43 1nln h PRO 165 Ca 0.31 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.34 1nln h PRO 165 Cb 0.11 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1nln h PRO 165 CO -0.15 0.61 0.03 1.15 -0.21 0.00 0.00 178.00 179.43 1nln h THR 166 N 0.95 1.23 -0.44 -1.15 2.02 -1.73 0.40 112.91 114.20 1nln h THR 166 Ca 0.27 -0.79 -0.05 0.00 0.77 0.00 0.00 66.41 66.61 1nln h THR 166 Cb -0.07 1.33 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 1nln h THR 166 CO -0.06 0.24 0.05 -0.07 0.37 0.00 0.00 175.52 176.05 1nln h LEU 167 N 0.15 0.64 -0.30 2.58 3.38 -0.83 -0.04 115.31 120.88 1nln h LEU 167 Ca 0.06 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 57.73 1nln h LEU 167 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1nln h LEU 167 CO 0.01 0.67 -0.54 -0.09 0.09 0.00 0.00 178.44 178.58 1nln h ARG 168 N 0.65 0.89 -0.98 1.13 2.43 -0.64 -2.24 114.38 115.62 1nln h ARG 168 Ca 0.14 -0.56 0.01 0.00 -0.81 0.00 0.00 59.98 58.76 1nln h ARG 168 Cb 0.33 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 1nln h ARG 168 CO 0.01 1.20 0.64 -0.09 -1.51 0.00 0.00 179.97 180.21 1nln h ARG 169 N 0.68 1.29 -0.60 0.20 2.43 -0.58 -1.41 114.38 116.40 1nln h ARG 169 Ca 0.02 -0.09 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 1nln h ARG 169 Cb 1.15 -0.29 -0.04 0.00 -0.42 0.00 0.00 29.97 30.37 1nln h ARG 169 CO 0.12 0.86 0.36 -0.91 -1.51 0.00 0.00 179.97 178.90 1nln h ASN 170 N 1.33 0.59 -0.66 -3.80 2.35 -0.78 -0.13 115.58 114.48 1nln h ASN 170 Ca 0.36 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.07 1nln h ASN 170 Cb -0.14 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.08 1nln h ASN 170 CO -0.08 0.41 0.27 -0.61 -1.65 0.00 0.00 177.43 175.78 1nln h GLN 171 N 0.72 0.98 -0.61 0.81 4.15 -0.75 0.55 115.11 120.95 1nln h GLN 171 Ca 0.24 -0.17 -0.03 0.00 0.77 0.00 0.00 58.65 59.45 1nln h GLN 171 Cb 0.02 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1nln h GLN 171 CO -0.10 0.81 0.25 0.93 -1.93 0.00 0.00 178.83 178.80 1nln h GLU 172 N 0.93 0.91 -0.15 1.69 5.08 -0.91 -1.45 114.58 120.69 1nln h GLU 172 Ca 0.22 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1nln h GLU 172 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1nln h GLU 172 CO -0.02 0.77 -0.34 1.96 -1.00 0.00 0.00 179.01 180.38 1nln h GLN 173 N 0.86 0.30 0.10 2.33 1.08 -0.67 -1.34 115.11 117.77 1nln h GLN 173 Ca 0.21 -0.12 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1nln h GLN 173 Cb 0.19 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 1nln h GLN 173 CO -0.02 0.61 -0.05 1.25 -0.95 0.00 0.00 178.83 179.67 1nln h LEU 174 N 0.26 -0.11 -0.81 1.46 5.85 -0.56 0.42 115.31 121.82 1nln h LEU 174 Ca 0.03 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.58 1nln h LEU 174 Cb 0.73 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1nln h LEU 174 CO 0.06 0.05 0.28 1.88 -0.34 0.00 0.00 178.44 180.36 1nln h TYR 175 N -0.27 1.19 -0.44 1.25 0.99 -1.06 -1.63 116.97 117.01 1nln h TYR 175 Ca -0.01 -0.10 -0.09 0.00 2.00 0.00 0.00 58.73 60.52 1nln h TYR 175 Cb 0.22 -0.35 -0.02 0.00 1.00 0.00 0.00 36.73 37.58 1nln h TYR 175 CO -0.03 0.92 -0.10 1.03 -0.00 0.00 0.00 178.16 179.98 1nln h SER 176 N 1.13 0.77 -0.70 3.88 0.87 -1.07 -0.31 113.55 118.11 1nln h SER 176 Ca 0.25 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1nln h SER 176 Cb 0.25 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1nln h SER 176 CO -0.02 0.89 0.44 0.15 -0.53 0.00 0.00 176.83 177.77 1nln h PHE 177 N 0.71 0.91 -0.18 2.24 3.57 -0.57 -1.83 116.94 121.79 1nln h PHE 177 Ca 0.12 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 1nln h PHE 177 Cb 0.57 -0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1nln h PHE 177 CO 0.03 0.60 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.25 1nln h LEU 178 N 0.95 0.42 -1.06 0.59 3.38 -0.87 -2.01 115.31 116.71 1nln h LEU 178 Ca 0.25 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1nln h LEU 178 Cb -0.06 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1nln h LEU 178 CO -0.05 0.77 -0.07 -0.33 0.09 0.00 0.00 178.44 178.85 1nln h GLU 179 N 0.34 0.59 0.00 1.13 4.39 -0.58 0.18 114.58 120.63 1nln h GLU 179 Ca 0.03 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 59.57 1nln h GLU 179 Cb 0.83 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.41 1nln h GLU 179 CO 0.07 0.66 -0.13 0.07 -1.16 0.00 0.00 179.01 178.52 1nln h ARG 180 N 0.55 0.00 -0.00 2.33 0.11 -0.89 -3.37 114.38 113.11 1nln h ARG 180 Ca 0.11 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.19 1nln h ARG 180 Cb 0.45 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.53 1nln h ARG 180 CO 0.02 0.00 -0.02 0.72 0.10 0.00 0.00 179.97 180.79 1nln n HIS 181 N -2.48 0.00 -3.73 4.08 8.25 -0.80 -5.00 115.22 115.54 1nln n HIS 181 Ca 0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 1nln n HIS 181 Cb 0.46 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.41 1nln n HIS 181 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1nln s SER 182 N -0.60 2.88 0.37 0.41 0.15 0.03 -4.39 113.70 112.55 1nln s SER 182 Ca 0.01 -0.81 0.07 0.00 0.70 0.00 0.00 55.95 55.92 1nln s SER 182 Cb 0.01 -0.59 0.79 0.00 -1.71 0.00 0.00 66.02 64.52 1nln s SER 182 CO 0.03 -0.31 1.97 -0.65 1.20 0.00 0.00 173.24 175.48 1nln h PRO 183 N 8.25 0.67 -0.26 5.44 0.10 -1.89 -0.33 132.00 143.98 1nln h PRO 183 Ca -0.16 -0.04 -0.03 0.00 0.10 0.00 0.00 66.00 65.87 1nln h PRO 183 Cb 1.12 -0.15 -0.01 0.00 0.10 0.00 0.00 31.00 32.06 1nln h PRO 183 CO 0.33 0.45 0.06 -0.92 0.10 0.00 0.00 178.00 178.02 1nln h TYR 184 N 0.69 0.44 -0.43 0.65 3.20 -1.93 -1.29 116.97 118.29 1nln h TYR 184 Ca 0.30 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1nln h TYR 184 Cb 0.27 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1nln h TYR 184 CO -0.00 0.50 0.28 0.35 -1.64 0.00 0.00 178.16 177.65 1nln h PHE 185 N 0.24 0.55 -0.80 -3.82 3.57 -1.72 -2.42 116.94 112.54 1nln h PHE 185 Ca 0.08 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.71 1nln h PHE 185 Cb 0.29 -0.18 -0.08 0.00 2.79 0.00 0.00 35.95 38.76 1nln h PHE 185 CO 0.01 0.36 0.42 0.00 -2.23 0.00 0.00 178.31 176.88 1nln h ARG 186 N 0.58 0.65 0.00 1.11 3.08 -0.85 0.70 114.38 119.65 1nln h ARG 186 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1nln h ARG 186 Cb -0.05 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.86 1nln h ARG 186 CO -0.03 0.43 0.00 -1.13 -1.07 0.00 0.00 179.97 178.16 1nln n SER 187 N -4.83 0.08 -0.61 7.04 3.41 -0.51 -3.03 113.62 115.17 1nln n SER 187 Ca 0.14 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.32 1nln n SER 187 Cb 0.34 -0.53 0.15 0.00 -0.26 0.00 0.00 64.21 63.91 1nln n SER 187 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1nln n HIS 188 N -1.57 0.00 0.19 7.33 8.25 -0.61 -4.93 115.22 123.88 1nln n HIS 188 Ca 0.07 -1.12 -0.17 0.00 -0.26 0.00 0.00 57.72 56.23 1nln n HIS 188 Cb 0.33 -0.20 -0.10 0.00 1.12 0.00 0.00 29.99 31.15 1nln n HIS 188 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1nln h SER 189 N 0.69 -1.45 -0.59 0.41 0.87 -0.81 0.58 113.55 113.25 1nln h SER 189 Ca -0.04 0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.68 1nln h SER 189 Cb 1.17 0.51 -0.03 0.00 -0.44 0.00 0.00 62.40 63.61 1nln h SER 189 CO 0.02 -0.60 0.37 0.00 -0.53 0.00 0.00 176.83 176.09 1nln h ALA 190 N -0.62 0.75 -0.21 6.23 0.00 -1.87 -0.21 119.26 123.33 1nln h ALA 190 Ca -0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1nln h ALA 190 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1nln h ALA 190 CO -0.18 0.13 0.10 1.96 0.00 0.00 0.00 179.25 181.25 1nln h GLN 191 N 0.74 0.31 -0.42 0.00 7.50 -1.88 -1.23 115.11 120.13 1nln h GLN 191 Ca 0.23 -0.05 -0.13 0.00 0.50 0.00 0.00 58.65 59.20 1nln h GLN 191 Cb -0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1nln h GLN 191 CO -0.08 0.34 -0.24 0.82 -1.50 0.00 0.00 178.83 178.17 1nln h ILE 192 N 0.21 1.27 -0.59 2.54 2.04 -0.74 -1.49 117.51 120.75 1nln h ILE 192 Ca 0.07 -1.39 -0.03 0.00 1.00 0.00 0.00 64.86 64.52 1nln h ILE 192 Cb 0.13 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1nln h ILE 192 CO -0.01 0.47 0.24 0.03 0.00 0.00 0.00 178.15 178.87 1nln h ARG 193 N 0.75 0.85 -0.20 2.37 3.08 -0.88 -1.26 114.38 119.08 1nln h ARG 193 Ca 0.10 -0.13 -0.19 0.00 0.07 0.00 0.00 59.98 59.83 1nln h ARG 193 Cb 0.79 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.69 1nln h ARG 193 CO 0.07 0.70 -0.62 1.03 -1.07 0.00 0.00 179.97 180.07 1nln h SER 194 N 0.84 0.80 1.14 7.04 0.87 -0.96 -2.26 113.55 121.02 1nln h SER 194 Ca 0.20 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1nln h SER 194 Cb 0.16 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1nln h SER 194 CO -0.02 1.23 0.00 0.00 -0.53 0.00 0.00 176.83 177.51 1nln h ALA 195 N 0.78 1.00 0.00 6.23 0.00 -0.81 -3.29 119.26 123.17 1nln h ALA 195 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1nln h ALA 195 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1nln h ALA 195 CO 0.13 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.63 1nln n THR 196 N -2.36 0.90 -0.84 0.00 -2.24 -0.52 -0.42 114.28 108.81 1nln n THR 196 Ca 0.04 -0.95 -0.33 0.00 -2.27 0.00 0.00 64.05 60.54 1nln n THR 196 Cb 0.34 0.55 0.11 0.00 -2.10 0.00 0.00 70.33 69.23 1nln n THR 196 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1nln n SER 197 N -0.45 -2.19 -0.19 3.42 3.41 -0.86 -2.33 113.62 114.42 1nln n SER 197 Ca 0.00 0.34 0.06 0.00 -0.26 0.00 0.00 58.87 59.01 1nln n SER 197 Cb 0.23 -1.19 0.34 0.00 -0.26 0.00 0.00 64.21 63.33 1nln n SER 197 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1nln h PHE 198 N -1.45 0.80 -0.36 7.33 3.04 -1.87 -1.85 116.94 122.57 1nln h PHE 198 Ca -0.44 0.02 -0.25 0.00 3.98 0.00 0.00 57.97 61.28 1nln h PHE 198 Cb 1.29 -0.26 -0.19 0.00 2.56 0.00 0.00 35.95 39.35 1nln h PHE 198 CO 0.38 0.43 -0.53 0.00 -2.02 0.00 0.00 178.31 176.57 1nln h HIS 200 N 1.48 0.34 -0.34 0.00 2.76 -0.92 -2.23 115.15 116.25 1nln h HIS 200 Ca 0.19 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 1nln h HIS 200 Cb 1.28 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 30.13 1nln h HIS 200 CO 0.85 0.15 0.00 1.28 -1.30 0.00 0.00 177.93 178.91 1nln n LEU 201 N -4.46 3.82 -4.75 0.26 4.77 -0.24 -5.03 117.00 111.38 1nln n LEU 201 Ca 0.10 -2.69 -0.41 0.00 -0.03 0.00 0.00 56.01 52.98 1nln n LEU 201 Cb 0.44 -0.47 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1nln n LEU 201 CO 0.34 0.70 1.07 -0.75 -1.33 0.00 0.00 177.39 177.42 1nln s LYS 202 N -2.25 4.29 0.60 3.23 2.20 -0.84 -4.90 119.74 122.07 1nln s LYS 202 Ca 0.39 2.28 -0.19 0.00 -0.36 0.00 0.00 55.97 58.08 1nln s LYS 202 Cb 0.29 -3.10 -0.03 0.00 -1.51 0.00 0.00 37.83 33.47 1nln s LYS 202 CO 0.12 -0.36 1.26 0.09 -0.36 0.00 0.00 175.35 176.10 1nln n ASN 203 N 1.93 2.06 -0.26 1.43 5.03 -1.26 -5.16 115.26 119.03 1nln n ASN 203 Ca 0.05 0.88 0.03 0.00 0.87 0.00 0.00 54.58 56.41 1nln n ASN 203 Cb 0.41 -1.53 0.03 0.00 -1.02 0.00 0.00 39.78 37.66 1nln n ASN 203 CO 0.00 0.00 0.00 0.23 -1.83 0.00 0.00 177.26 175.66