#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfl s ALA 2 N 0.00 1.29 0.04 3.04 0.00 -1.26 -5.12 121.76 119.75 1xfl s ALA 2 Ca 0.00 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.52 1xfl s ALA 2 Cb 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 1xfl s ALA 2 CO 0.00 0.18 -0.16 -1.54 0.00 0.00 0.00 175.76 174.23 1xfl s SER 3 N 0.37 1.95 0.21 0.00 1.04 -1.26 -5.12 113.70 110.89 1xfl s SER 3 Ca -0.09 -0.48 -0.30 0.00 0.48 0.00 0.00 55.95 55.57 1xfl s SER 3 Cb -0.13 -0.14 -0.08 0.00 0.10 0.00 0.00 66.02 65.76 1xfl s SER 3 CO 0.03 0.08 1.16 -1.61 0.98 0.00 0.00 173.24 173.88 1xfl s GLU 4 N -1.13 4.54 -0.03 4.02 8.01 -1.26 -5.03 118.70 127.82 1xfl s GLU 4 Ca 0.04 1.84 -0.02 0.00 0.01 0.00 0.00 54.97 56.84 1xfl s GLU 4 Cb -0.08 -3.23 -0.04 0.00 -4.31 0.00 0.00 34.13 26.47 1xfl s GLU 4 CO 0.01 0.02 0.12 -1.83 0.01 0.00 0.00 175.26 173.59 1xfl s GLU 5 N -0.64 3.25 0.00 1.61 -1.05 -1.26 -4.41 118.70 116.20 1xfl s GLU 5 Ca 0.50 -0.37 0.00 0.00 -0.15 0.00 0.00 54.97 54.94 1xfl s GLU 5 Cb -0.32 -2.99 0.00 0.00 -0.44 0.00 0.00 34.13 30.38 1xfl s GLU 5 CO 0.38 0.68 0.00 0.41 0.95 0.00 0.00 175.26 177.68 1xfl n GLY 6 N 1.24 0.57 3.76 -3.83 0.00 -0.34 -4.85 105.19 101.74 1xfl n GLY 6 Ca -0.13 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 1xfl n GLY 6 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xfl s GLN 7 N -0.89 4.10 -0.21 1.61 -2.07 -1.26 -4.67 119.66 116.28 1xfl s GLN 7 Ca 0.00 0.08 0.00 0.00 -1.82 0.00 0.00 55.36 53.62 1xfl s GLN 7 Cb 0.00 -3.37 0.02 0.00 -1.09 0.00 0.00 33.01 28.57 1xfl s GLN 7 CO 0.00 0.37 -0.15 0.08 -1.32 0.00 0.00 175.29 174.27 1xfl s VAL 8 N 0.07 2.37 -0.40 3.63 1.01 -1.26 -4.34 120.40 121.48 1xfl s VAL 8 Ca 0.17 -0.99 -0.23 0.00 0.00 0.00 0.00 61.98 60.93 1xfl s VAL 8 Cb -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1xfl s VAL 8 CO 0.05 0.40 0.78 -0.63 0.00 0.00 0.00 175.10 175.70 1xfl s ILE 9 N 1.29 4.70 -0.46 2.22 -1.09 0.23 -4.78 121.20 123.31 1xfl s ILE 9 Ca 0.03 0.70 -0.21 0.00 -2.23 0.00 0.00 60.65 58.94 1xfl s ILE 9 Cb -0.15 -4.25 0.03 0.00 -1.58 0.00 0.00 42.46 36.52 1xfl s ILE 9 CO -0.09 -0.54 0.66 0.00 -1.23 0.00 0.00 174.94 173.74 1xfl s ALA 10 N 3.17 3.34 -0.35 9.38 0.00 -1.25 -0.19 121.76 135.85 1xfl s ALA 10 Ca 0.31 -1.32 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1xfl s ALA 10 Cb -0.13 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 1xfl s ALA 10 CO 0.19 -1.88 0.33 0.00 0.00 0.00 0.00 175.76 174.40 1xfl n HIS 12 N 5.31 0.32 -4.06 0.00 8.25 -1.26 -3.45 115.22 120.34 1xfl n HIS 12 Ca -0.10 -0.28 -0.13 0.00 -0.26 0.00 0.00 57.72 56.95 1xfl n HIS 12 Cb 0.49 -0.01 -0.12 0.00 1.12 0.00 0.00 29.99 31.47 1xfl n HIS 12 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1xfl s THR 13 N -1.06 0.41 0.22 1.59 -4.23 -1.26 -4.75 115.64 106.55 1xfl s THR 13 Ca 0.23 -0.82 0.29 0.00 -1.18 0.00 0.00 61.69 60.21 1xfl s THR 13 Cb 0.13 -0.46 0.31 0.00 1.34 0.00 0.00 72.50 73.82 1xfl s THR 13 CO 0.18 -0.28 1.96 1.62 -0.54 0.00 0.00 174.62 177.56 1xfl h VAL 14 N 4.66 0.37 0.15 2.29 3.04 -1.99 -2.68 116.25 122.09 1xfl h VAL 14 Ca -0.33 -0.75 -0.01 0.00 -1.01 0.00 0.00 66.70 64.61 1xfl h VAL 14 Cb 1.20 1.55 0.00 0.00 -2.01 0.00 0.00 31.29 32.04 1xfl h VAL 14 CO 0.43 0.12 -0.07 -0.08 -1.01 0.00 0.00 177.57 176.96 1xfl h GLU 15 N 0.00 -0.19 -0.44 4.17 4.81 -1.99 0.33 114.58 121.28 1xfl h GLU 15 Ca -0.00 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1xfl h GLU 15 Cb 0.54 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1xfl h GLU 15 CO 0.02 -0.09 -0.00 1.15 -0.73 0.00 0.00 179.01 179.35 1xfl h THR 16 N -0.24 1.26 -0.40 0.32 2.02 -1.96 -2.19 112.91 111.72 1xfl h THR 16 Ca -0.02 -1.04 0.04 0.00 0.77 0.00 0.00 66.41 66.16 1xfl h THR 16 Cb 0.19 1.07 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1xfl h THR 16 CO 0.03 0.36 0.17 -0.25 0.37 0.00 0.00 175.52 176.20 1xfl h TRP 17 N 0.61 0.31 -0.77 3.16 2.91 -1.31 -0.68 115.95 120.18 1xfl h TRP 17 Ca 0.12 0.02 0.01 0.00 1.13 0.00 0.00 58.89 60.17 1xfl h TRP 17 Cb 0.50 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 29.03 1xfl h TRP 17 CO 0.04 0.14 0.51 -0.97 -1.03 0.00 0.00 178.44 177.13 1xfl h ASN 18 N 0.35 0.87 -0.20 2.65 -0.73 -0.19 -1.95 115.58 116.38 1xfl h ASN 18 Ca 0.18 -0.02 -0.02 0.00 1.87 0.00 0.00 56.30 58.31 1xfl h ASN 18 Cb 0.13 -0.21 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 1xfl h ASN 18 CO -0.16 0.63 0.05 -0.08 -0.37 0.00 0.00 177.43 177.50 1xfl h GLU 19 N 1.03 0.32 -0.86 6.67 4.81 -0.85 -2.64 114.58 123.08 1xfl h GLU 19 Ca 0.29 -0.08 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1xfl h GLU 19 Cb -0.10 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.19 1xfl h GLU 19 CO -0.07 0.44 0.56 1.96 -0.73 0.00 0.00 179.01 181.17 1xfl h GLN 20 N 0.15 1.06 -0.12 1.92 1.08 -0.78 0.38 115.11 118.79 1xfl h GLN 20 Ca 0.06 -0.06 -0.04 0.00 -1.45 0.00 0.00 58.65 57.16 1xfl h GLN 20 Cb 0.26 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.45 1xfl h GLN 20 CO -0.00 0.70 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.44 1xfl h LEU 21 N 1.09 0.27 -0.71 1.46 3.38 -1.29 0.60 115.31 120.12 1xfl h LEU 21 Ca 0.33 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1xfl h LEU 21 Cb -0.02 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1xfl h LEU 21 CO -0.09 0.64 0.41 -0.61 0.09 0.00 0.00 178.44 178.88 1xfl h GLN 22 N -0.09 0.97 -0.71 1.13 5.75 -1.08 0.27 115.11 121.35 1xfl h GLN 22 Ca 0.03 -0.10 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 1xfl h GLN 22 Cb 0.54 -0.20 -0.05 0.00 1.07 0.00 0.00 27.48 28.84 1xfl h GLN 22 CO 0.02 0.70 0.41 -0.22 -2.65 0.00 0.00 178.83 177.10 1xfl h LYS 23 N 0.97 0.74 -0.06 1.69 3.64 -0.10 0.30 116.57 123.75 1xfl h LYS 23 Ca 0.25 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 1xfl h LYS 23 Cb -0.01 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1xfl h LYS 23 CO -0.05 0.49 -0.05 0.00 -2.27 0.00 0.00 179.45 177.58 1xfl h ALA 24 N 1.35 0.09 0.44 5.00 0.00 -0.35 -2.19 119.26 123.60 1xfl h ALA 24 Ca 0.31 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xfl h ALA 24 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xfl h ALA 24 CO -0.17 -0.13 -0.21 -0.97 0.00 0.00 0.00 179.25 177.77 1xfl h ASN 25 N -0.28 -0.50 -0.65 0.00 -0.73 -0.65 0.22 115.58 113.00 1xfl h ASN 25 Ca 0.01 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.19 1xfl h ASN 25 Cb 0.53 0.13 -0.03 0.00 0.27 0.00 0.00 38.32 39.22 1xfl h ASN 25 CO 0.01 -0.35 0.39 -0.08 -0.37 0.00 0.00 177.43 177.03 1xfl h GLU 26 N -0.59 0.88 -0.01 6.67 4.81 -0.49 -1.90 114.58 123.96 1xfl h GLU 26 Ca -0.06 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1xfl h GLU 26 Cb 0.45 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1xfl h GLU 26 CO 0.10 0.63 -0.09 0.43 -0.73 0.00 0.00 179.01 179.34 1xfl n SER 27 N -4.58 0.74 -1.52 1.04 7.64 -0.82 -4.89 113.62 111.22 1xfl n SER 27 Ca 0.05 -0.90 -0.16 0.00 1.01 0.00 0.00 58.87 58.87 1xfl n SER 27 Cb 0.05 -0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 1xfl n SER 27 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1xfl n LYS 28 N -0.65 -1.20 -3.12 1.43 4.81 -0.21 -4.97 118.16 114.25 1xfl n LYS 28 Ca 0.16 0.94 -0.36 0.00 -0.87 0.00 0.00 58.31 58.18 1xfl n LYS 28 Cb 0.28 -5.23 -0.06 0.00 0.02 0.00 0.00 35.03 30.05 1xfl n LYS 28 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1xfl s THR 29 N -2.70 4.59 0.17 3.15 2.01 0.62 -4.57 115.64 118.92 1xfl s THR 29 Ca 0.00 1.25 -0.26 0.00 0.31 0.00 0.00 61.69 62.99 1xfl s THR 29 Cb 0.00 -3.85 -0.08 0.00 0.01 0.00 0.00 72.50 68.58 1xfl s THR 29 CO 0.00 0.22 0.82 -0.22 -0.69 0.00 0.00 174.62 174.75 1xfl s LEU 30 N -1.94 4.59 -0.02 4.42 0.20 -1.26 -2.62 118.68 122.05 1xfl s LEU 30 Ca 0.42 1.71 0.05 0.00 0.69 0.00 0.00 54.13 57.00 1xfl s LEU 30 Cb -0.17 -3.37 -0.01 0.00 -0.43 0.00 0.00 46.19 42.21 1xfl s LEU 30 CO 0.21 0.18 -0.17 0.54 -0.29 0.00 0.00 176.35 176.82 1xfl s VAL 31 N -1.04 1.34 -0.17 1.68 0.11 -0.77 -1.38 120.40 120.17 1xfl s VAL 31 Ca 0.37 -0.71 0.01 0.00 -2.93 0.00 0.00 61.98 58.72 1xfl s VAL 31 Cb -0.24 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.52 1xfl s VAL 31 CO 0.27 0.38 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.57 1xfl s VAL 32 N -0.28 1.81 -0.09 2.04 1.01 0.82 -1.94 120.40 123.76 1xfl s VAL 32 Ca 0.04 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1xfl s VAL 32 Cb -0.08 -1.67 0.00 0.00 0.00 0.00 0.00 36.38 34.63 1xfl s VAL 32 CO -0.00 0.48 -0.22 -0.69 0.00 0.00 0.00 175.10 174.67 1xfl s VAL 33 N 1.39 1.89 -0.19 2.92 1.01 -0.36 -0.75 120.40 126.31 1xfl s VAL 33 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.06 1xfl s VAL 33 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 1xfl s VAL 33 CO -0.12 0.52 -0.05 -0.62 0.00 0.00 0.00 175.10 174.84 1xfl s ASP 34 N 0.31 4.38 -0.32 3.32 2.15 -0.79 0.09 116.67 125.81 1xfl s ASP 34 Ca -0.16 -0.32 -0.12 0.00 0.43 0.00 0.00 52.55 52.38 1xfl s ASP 34 Cb -0.17 -1.73 -0.02 0.00 -0.30 0.00 0.00 42.92 40.70 1xfl s ASP 34 CO 0.07 0.05 0.21 -0.36 -0.17 0.00 0.00 175.17 174.97 1xfl s PHE 35 N 1.08 3.21 0.38 -5.34 0.40 0.37 -1.74 117.98 116.35 1xfl s PHE 35 Ca 0.01 -0.23 -0.13 0.00 -0.60 0.00 0.00 56.93 55.98 1xfl s PHE 35 Cb -0.15 -2.43 0.05 0.00 0.51 0.00 0.00 43.02 41.00 1xfl s PHE 35 CO -0.00 -0.34 0.73 -0.08 0.70 0.00 0.00 175.22 176.23 1xfl s THR 36 N 1.70 0.00 0.04 0.64 -1.32 -0.46 -1.77 115.64 114.47 1xfl s THR 36 Ca 0.06 -1.11 0.08 0.00 -1.21 0.00 0.00 61.69 59.50 1xfl s THR 36 Cb -0.17 -2.85 -0.03 0.00 -1.51 0.00 0.00 72.50 67.94 1xfl s THR 36 CO 0.10 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.30 1xfl s ALA 37 N -2.42 2.51 0.64 11.08 0.00 -1.26 -0.71 121.76 131.60 1xfl s ALA 37 Ca 0.18 -1.21 0.33 0.00 0.00 0.00 0.00 51.96 51.26 1xfl s ALA 37 Cb -0.04 -0.67 1.84 0.00 0.00 0.00 0.00 23.12 24.24 1xfl s ALA 37 CO 0.13 0.56 2.09 0.66 0.00 0.00 0.00 175.76 179.20 1xfl h SER 38 N 4.61 0.00 -0.26 0.00 4.64 -1.97 -1.46 113.55 119.11 1xfl h SER 38 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1xfl h SER 38 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 1xfl h SER 38 CO 0.46 0.00 0.00 -2.67 -0.87 0.00 0.00 176.83 173.75 1xfl n TRP 39 N -3.26 0.34 -3.18 4.77 4.27 -1.26 -4.83 117.44 114.30 1xfl n TRP 39 Ca -0.01 -0.17 -0.40 0.00 -3.89 0.00 0.00 57.50 53.03 1xfl n TRP 39 Cb 0.30 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.19 1xfl n TRP 39 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1xfl h GLY 41 N 8.18 -0.57 1.32 0.00 0.00 -1.89 -1.45 103.07 108.64 1xfl h GLY 41 Ca -0.32 0.21 0.10 0.00 0.00 0.00 0.00 47.33 47.32 1xfl h GLY 41 CO 0.75 -0.21 0.25 -0.56 0.00 0.00 0.00 176.54 176.78 1xfl h PRO 42 N -0.65 0.03 -0.35 4.80 0.13 -1.98 0.08 132.00 134.06 1xfl h PRO 42 Ca -0.06 -0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.93 1xfl h PRO 42 Cb 0.42 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1xfl h PRO 42 CO 0.09 0.02 -0.34 0.00 -0.23 0.00 0.00 178.00 177.55 1xfl h ARG 44 N 0.66 0.00 -0.19 0.00 2.43 0.09 -2.05 114.38 115.31 1xfl h ARG 44 Ca 0.07 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 1xfl h ARG 44 Cb 0.88 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 1xfl h ARG 44 CO 0.08 0.60 -0.49 0.35 -1.51 0.00 0.00 179.97 179.00 1xfl h PHE 45 N 0.00 0.63 -0.01 2.20 3.57 -0.76 -2.92 116.94 119.64 1xfl h PHE 45 Ca -0.01 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.29 1xfl h PHE 45 Cb 1.07 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.68 1xfl h PHE 45 CO 0.00 0.90 -0.21 1.51 -2.23 0.00 0.00 178.31 178.28 1xfl n ILE 46 N -3.98 0.00 0.14 1.41 0.13 -0.24 -4.37 119.36 112.46 1xfl n ILE 46 Ca -0.02 -0.15 -0.14 0.00 -1.10 0.00 0.00 62.75 61.34 1xfl n ILE 46 Cb 0.56 0.41 -0.08 0.00 -0.84 0.00 0.00 39.64 39.70 1xfl n ILE 46 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1xfl h ALA 47 N 3.80 -0.29 0.00 1.51 0.00 -1.17 -0.66 119.26 122.45 1xfl h ALA 47 Ca 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1xfl h ALA 47 Cb 0.50 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1xfl h ALA 47 CO 0.00 -0.65 -0.15 -1.35 0.00 0.00 0.00 179.25 177.09 1xfl h PRO 48 N -0.31 0.00 -0.19 0.00 0.11 -1.76 0.52 132.00 130.38 1xfl h PRO 48 Ca -0.03 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.95 1xfl h PRO 48 Cb 0.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1xfl h PRO 48 CO 0.05 0.15 -0.39 0.35 -0.21 0.00 0.00 178.00 177.96 1xfl h PHE 49 N 0.00 0.76 -0.14 0.65 3.04 -1.74 0.43 116.94 119.93 1xfl h PHE 49 Ca -0.00 -0.28 -0.12 0.00 3.98 0.00 0.00 57.97 61.55 1xfl h PHE 49 Cb 0.42 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1xfl h PHE 49 CO 0.00 1.03 -0.45 0.35 -2.02 0.00 0.00 178.31 177.22 1xfl h PHE 50 N 0.27 0.42 0.00 0.41 3.57 -0.48 -1.01 116.94 120.11 1xfl h PHE 50 Ca 0.01 -0.12 -0.08 0.00 3.53 0.00 0.00 57.97 61.30 1xfl h PHE 50 Cb 0.99 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 1xfl h PHE 50 CO 0.09 0.74 -0.37 0.00 -2.23 0.00 0.00 178.31 176.54 1xfl h ALA 51 N 1.24 1.23 -0.24 2.41 0.00 -0.78 -0.29 119.26 122.84 1xfl h ALA 51 Ca 0.02 -0.34 -0.19 0.00 0.00 0.00 0.00 54.91 54.40 1xfl h ALA 51 Cb 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xfl h ALA 51 CO 0.07 0.46 -0.60 0.22 0.00 0.00 0.00 179.25 179.41 1xfl h ASP 52 N 0.00 0.90 -0.49 0.00 3.58 -0.15 0.99 116.42 121.25 1xfl h ASP 52 Ca -0.00 -0.50 0.01 0.00 0.42 0.00 0.00 57.03 56.95 1xfl h ASP 52 Cb 0.72 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.49 1xfl h ASP 52 CO 0.05 1.29 0.32 -0.07 -2.88 0.00 0.00 179.24 177.95 1xfl h LEU 53 N 0.59 0.55 -1.43 2.28 3.38 -0.85 -0.33 115.31 119.50 1xfl h LEU 53 Ca -0.00 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1xfl h LEU 53 Cb 1.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.81 1xfl h LEU 53 CO 0.13 0.39 -0.16 0.00 0.09 0.00 0.00 178.44 178.89 1xfl h ALA 54 N 1.19 1.53 -0.52 1.53 0.00 -0.74 -2.07 119.26 120.18 1xfl h ALA 54 Ca 0.18 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1xfl h ALA 54 Cb -0.06 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1xfl h ALA 54 CO -0.05 0.34 -0.12 -0.22 0.00 0.00 0.00 179.25 179.20 1xfl h LYS 55 N 0.16 1.00 -0.01 0.00 3.64 0.05 -0.88 116.57 120.53 1xfl h LYS 55 Ca 0.03 -0.38 0.00 0.00 -1.27 0.00 0.00 60.65 59.03 1xfl h LYS 55 Cb 0.39 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1xfl h LYS 55 CO 0.02 1.06 -0.15 1.17 -2.27 0.00 0.00 179.45 179.29 1xfl n LYS 56 N -4.17 1.09 -1.52 1.90 4.81 -0.22 -4.27 118.16 115.78 1xfl n LYS 56 Ca 0.01 -0.59 -0.56 0.00 -0.87 0.00 0.00 58.31 56.30 1xfl n LYS 56 Cb 0.41 -1.49 -0.07 0.00 0.02 0.00 0.00 35.03 33.90 1xfl n LYS 56 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 1xfl n LEU 57 N -0.44 0.41 0.16 3.14 -0.00 -0.81 -4.91 117.00 114.54 1xfl n LEU 57 Ca 0.15 1.15 -0.11 0.00 -0.00 0.00 0.00 56.01 57.19 1xfl n LEU 57 Cb 0.33 -1.01 -0.07 0.00 -0.00 0.00 0.00 43.42 42.68 1xfl n LEU 57 CO 0.22 -1.73 0.39 -0.65 -0.00 0.00 0.00 177.39 175.62 1xfl h PRO 58 N 3.27 -0.43 -0.15 1.47 0.11 -1.93 -3.45 132.00 130.89 1xfl h PRO 58 Ca -0.48 0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1xfl h PRO 58 Cb 1.40 0.10 -0.14 0.00 0.11 0.00 0.00 31.00 32.47 1xfl h PRO 58 CO 0.68 -0.12 -0.22 -1.71 -0.21 0.00 0.00 178.00 176.41 1xfl n ASN 59 N -5.10 -1.99 -4.01 -2.05 5.15 -1.26 -5.15 115.26 100.85 1xfl n ASN 59 Ca -0.08 -2.14 -0.21 0.00 -0.60 0.00 0.00 54.58 51.54 1xfl n ASN 59 Cb 0.26 1.12 -0.16 0.00 -0.53 0.00 0.00 39.78 40.48 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1xfl s VAL 60 N 0.52 0.89 -0.32 3.44 1.01 -1.26 -4.19 120.40 120.48 1xfl s VAL 60 Ca 0.28 -0.40 -0.21 0.00 0.00 0.00 0.00 61.98 61.64 1xfl s VAL 60 Cb 0.17 -0.79 -0.00 0.00 0.00 0.00 0.00 36.38 35.76 1xfl s VAL 60 CO -0.13 0.28 0.68 -0.76 0.00 0.00 0.00 175.10 175.17 1xfl s LEU 61 N 0.27 4.15 -0.14 3.92 1.43 -0.48 -4.95 118.68 122.89 1xfl s LEU 61 Ca -0.05 0.41 -0.07 0.00 -1.03 0.00 0.00 54.13 53.39 1xfl s LEU 61 Cb -0.10 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1xfl s LEU 61 CO 0.01 -0.56 0.10 -0.36 0.23 0.00 0.00 176.35 175.76 1xfl s PHE 62 N 2.77 3.41 0.10 0.29 0.40 -1.26 -0.13 117.98 123.56 1xfl s PHE 62 Ca 0.27 0.33 0.07 0.00 -0.60 0.00 0.00 56.93 57.01 1xfl s PHE 62 Cb -0.14 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.36 1xfl s PHE 62 CO 0.13 0.48 -0.19 -0.51 0.70 0.00 0.00 175.22 175.83 1xfl s LEU 63 N -0.42 2.30 -0.22 -0.37 1.02 0.07 -0.60 118.68 120.46 1xfl s LEU 63 Ca 0.11 -0.68 0.02 0.00 0.02 0.00 0.00 54.13 53.60 1xfl s LEU 63 Cb -0.12 -0.78 0.04 0.00 0.02 0.00 0.00 46.19 45.35 1xfl s LEU 63 CO 0.02 0.02 -0.16 -0.75 0.02 0.00 0.00 176.35 175.50 1xfl s LYS 64 N -1.90 2.66 -0.14 1.70 2.47 0.73 -1.89 119.74 123.37 1xfl s LYS 64 Ca 0.05 -1.06 0.02 0.00 -1.56 0.00 0.00 55.97 53.42 1xfl s LYS 64 Cb -0.10 -2.72 0.01 0.00 -1.46 0.00 0.00 37.83 33.56 1xfl s LYS 64 CO 0.04 -0.37 -0.21 0.08 0.16 0.00 0.00 175.35 175.05 1xfl s VAL 65 N 1.21 2.19 -0.46 4.02 1.01 -0.71 -0.45 120.40 127.21 1xfl s VAL 65 Ca -0.01 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 60.77 1xfl s VAL 65 Cb -0.16 -1.88 0.03 0.00 0.00 0.00 0.00 36.38 34.36 1xfl s VAL 65 CO -0.09 0.54 0.97 -0.62 0.00 0.00 0.00 175.10 175.90 1xfl s ASP 66 N 0.80 6.53 0.50 3.32 2.15 -1.22 -1.36 116.67 127.40 1xfl s ASP 66 Ca -0.07 0.21 0.31 0.00 0.43 0.00 0.00 52.55 53.43 1xfl s ASP 66 Cb -0.16 -2.47 1.16 0.00 -0.30 0.00 0.00 42.92 41.15 1xfl s ASP 66 CO -0.01 -1.09 1.90 0.00 -0.17 0.00 0.00 175.17 175.80 1xfl h THR 67 N 6.10 0.00 -0.18 1.71 1.03 -1.18 0.44 112.91 120.83 1xfl h THR 67 Ca -0.24 -0.57 -0.16 0.00 -0.01 0.00 0.00 66.41 65.43 1xfl h THR 67 Cb 1.07 1.55 0.00 0.00 -1.07 0.00 0.00 68.15 69.71 1xfl h THR 67 CO 1.05 0.00 -0.50 -0.78 -0.01 0.00 0.00 175.52 175.28 1xfl h ASP 68 N 0.00 0.76 0.23 0.00 1.82 -1.90 -3.19 116.42 114.14 1xfl h ASP 68 Ca 0.00 -0.58 -0.01 0.00 -0.39 0.00 0.00 57.03 56.05 1xfl h ASP 68 Cb 0.59 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.38 1xfl h ASP 68 CO 0.00 1.20 -0.11 -0.33 -1.61 0.00 0.00 179.24 178.39 1xfl h GLU 69 N 0.35 -0.30 -3.67 0.28 5.08 -1.91 -3.39 114.58 111.03 1xfl h GLU 69 Ca -0.01 0.02 -0.74 0.00 -1.00 0.00 0.00 59.36 57.63 1xfl h GLU 69 Cb 1.12 0.07 -0.12 0.00 0.50 0.00 0.00 28.75 30.32 1xfl h GLU 69 CO 0.11 -0.20 2.34 1.28 -1.00 0.00 0.00 179.01 181.54 1xfl n LEU 70 N -4.47 6.70 -0.06 1.33 4.77 0.13 -4.67 117.00 120.72 1xfl n LEU 70 Ca -0.04 -4.50 -0.08 0.00 -0.03 0.00 0.00 56.01 51.37 1xfl n LEU 70 Cb 0.12 -1.53 0.09 0.00 -2.33 0.00 0.00 43.42 39.77 1xfl n LEU 70 CO 0.09 1.29 0.66 0.11 -1.33 0.00 0.00 177.39 178.21 1xfl h LYS 71 N 5.84 0.70 -0.43 3.23 1.57 -1.76 -1.29 116.57 124.43 1xfl h LYS 71 Ca 0.44 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.83 1xfl h LYS 71 Cb 0.63 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 1xfl h LYS 71 CO 1.70 0.91 -0.06 0.77 -0.57 0.00 0.00 179.45 182.20 1xfl h SER 72 N 0.60 0.72 -0.21 0.86 0.02 -1.90 0.15 113.55 113.79 1xfl h SER 72 Ca 0.07 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1xfl h SER 72 Cb 0.80 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.15 1xfl h SER 72 CO 0.07 0.83 -0.23 0.58 -1.14 0.00 0.00 176.83 176.94 1xfl h VAL 73 N 0.68 1.33 -0.31 2.27 2.07 -1.90 -1.63 116.25 118.76 1xfl h VAL 73 Ca 0.12 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 66.28 1xfl h VAL 73 Cb 0.51 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 32.01 1xfl h VAL 73 CO 0.03 0.43 0.08 0.00 0.02 0.00 0.00 177.57 178.13 1xfl h ALA 74 N 0.64 0.34 -0.92 1.67 0.00 -0.91 -2.04 119.26 118.04 1xfl h ALA 74 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xfl h ALA 74 Cb 0.78 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1xfl h ALA 74 CO 0.06 -0.32 0.60 0.77 0.00 0.00 0.00 179.25 180.35 1xfl h SER 75 N 0.21 1.08 -0.37 0.00 0.02 -0.64 0.44 113.55 114.29 1xfl h SER 75 Ca 0.14 -0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 1xfl h SER 75 Cb 0.13 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.38 1xfl h SER 75 CO -0.17 0.79 0.02 -0.78 -1.14 0.00 0.00 176.83 175.56 1xfl h ASP 76 N 1.26 0.69 -0.58 3.07 1.82 -0.77 -1.37 116.42 120.54 1xfl h ASP 76 Ca 0.34 -0.15 0.00 0.00 -0.39 0.00 0.00 57.03 56.83 1xfl h ASP 76 Cb -0.12 -0.18 0.00 0.00 0.68 0.00 0.00 39.33 39.71 1xfl h ASP 76 CO -0.07 0.74 0.00 0.79 -1.61 0.00 0.00 179.24 179.09 1xfl n TRP 77 N -4.24 0.78 -2.00 0.28 7.02 -0.82 -4.93 117.44 113.53 1xfl n TRP 77 Ca 0.03 -0.39 -0.20 0.00 -1.02 0.00 0.00 57.50 55.91 1xfl n TRP 77 Cb 0.27 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.12 1xfl n TRP 77 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xfl n ALA 78 N 1.28 -0.46 -2.65 6.99 0.00 -0.09 -4.94 120.51 120.65 1xfl n ALA 78 Ca 0.20 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.46 1xfl n ALA 78 Cb 0.52 -2.09 -0.02 0.00 0.00 0.00 0.00 19.45 17.86 1xfl n ALA 78 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xfl s ILE 79 N -2.89 4.68 0.00 0.00 -1.09 0.13 -4.78 121.20 117.26 1xfl s ILE 79 Ca 0.00 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 1xfl s ILE 79 Cb 0.00 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1xfl s ILE 79 CO 0.00 -0.02 0.00 1.67 -1.23 0.00 0.00 174.94 175.36 1xfl n GLN 80 N 5.21 0.00 -2.99 2.79 7.27 -1.26 -4.40 117.38 123.99 1xfl n GLN 80 Ca 0.10 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.80 1xfl n GLN 80 Cb 0.48 -0.49 -0.06 0.00 2.41 0.00 0.00 30.24 32.57 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xfl s ALA 81 N -1.22 3.34 -0.06 1.69 0.00 -1.26 -5.06 121.76 119.19 1xfl s ALA 81 Ca 0.00 0.29 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1xfl s ALA 81 Cb 0.00 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.17 1xfl s ALA 81 CO 0.00 0.27 -0.21 -1.64 0.00 0.00 0.00 175.76 174.19 1xfl s MET 82 N -2.02 2.28 0.27 0.00 -1.94 -1.26 -3.58 119.30 113.05 1xfl s MET 82 Ca 0.46 -0.75 -0.03 0.00 -1.71 0.00 0.00 55.69 53.66 1xfl s MET 82 Cb -0.17 -1.90 -0.05 0.00 2.01 0.00 0.00 34.83 34.73 1xfl s MET 82 CO 0.22 0.27 0.51 -1.25 -0.01 0.00 0.00 175.02 174.75 1xfl s PRO 83 N 0.06 3.58 -0.15 2.03 0.04 -1.26 -4.66 135.00 134.64 1xfl s PRO 83 Ca -0.07 -0.14 0.01 0.00 0.04 0.00 0.00 61.00 60.84 1xfl s PRO 83 Cb -0.14 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.70 1xfl s PRO 83 CO 0.04 0.25 -0.17 0.99 0.04 0.00 0.00 177.00 178.16 1xfl s THR 84 N -2.06 2.54 -0.25 1.26 2.01 -0.73 0.20 115.64 118.61 1xfl s THR 84 Ca 0.42 -0.82 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 1xfl s THR 84 Cb -0.11 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.31 1xfl s THR 84 CO 0.31 0.52 0.11 -0.36 -0.69 0.00 0.00 174.62 174.51 1xfl s PHE 85 N 0.80 3.15 -0.18 4.92 0.40 0.41 -0.48 117.98 127.00 1xfl s PHE 85 Ca -0.06 -0.18 -0.01 0.00 -0.60 0.00 0.00 56.93 56.07 1xfl s PHE 85 Cb -0.15 -2.27 -0.00 0.00 0.51 0.00 0.00 43.02 41.10 1xfl s PHE 85 CO -0.00 -0.24 -0.12 1.41 0.70 0.00 0.00 175.22 176.97 1xfl s MET 86 N 1.56 3.27 -0.31 0.44 1.75 0.11 -0.03 119.30 126.08 1xfl s MET 86 Ca 0.06 -0.71 -0.11 0.00 -1.25 0.00 0.00 55.69 53.69 1xfl s MET 86 Cb -0.15 -2.76 -0.02 0.00 2.84 0.00 0.00 34.83 34.73 1xfl s MET 86 CO 0.06 -0.07 0.18 -0.06 -0.65 0.00 0.00 175.02 174.48 1xfl s PHE 87 N 1.07 3.19 0.11 4.11 0.40 0.11 -1.23 117.98 125.75 1xfl s PHE 87 Ca -0.00 -0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.07 1xfl s PHE 87 Cb -0.15 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 40.96 1xfl s PHE 87 CO -0.03 -0.35 -0.08 -0.48 0.70 0.00 0.00 175.22 174.99 1xfl s LEU 88 N 1.68 2.51 -0.06 -0.37 2.34 -0.82 -1.47 118.68 122.48 1xfl s LEU 88 Ca 0.06 -0.99 0.01 0.00 0.06 0.00 0.00 54.13 53.27 1xfl s LEU 88 Cb -0.17 -0.16 0.02 0.00 -0.56 0.00 0.00 46.19 45.32 1xfl s LEU 88 CO 0.08 -0.41 -0.07 -0.75 -1.06 0.00 0.00 176.35 174.15 1xfl s LYS 89 N -3.71 1.15 -1.06 1.48 2.20 0.13 -1.85 119.74 118.07 1xfl s LYS 89 Ca 0.12 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1xfl s LYS 89 Cb 0.04 -1.13 0.00 0.00 -1.51 0.00 0.00 37.83 35.23 1xfl s LYS 89 CO -0.03 -0.11 0.00 0.39 -0.36 0.00 0.00 175.35 175.24 1xfl n GLU 90 N 4.26 -1.22 -0.30 4.03 1.02 -1.08 -0.78 120.64 126.57 1xfl n GLU 90 Ca -0.20 0.81 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 1xfl n GLU 90 Cb 0.51 -4.94 0.00 0.00 -0.02 0.00 0.00 31.44 26.98 1xfl n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfl n GLY 91 N -0.72 0.79 3.74 0.62 0.00 -1.26 -4.07 105.19 104.30 1xfl n GLY 91 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1xfl n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xfl s LYS 92 N -0.62 4.15 0.12 1.61 1.02 0.04 -5.06 119.74 121.00 1xfl s LYS 92 Ca 0.00 -0.17 -0.31 0.00 0.02 0.00 0.00 55.97 55.51 1xfl s LYS 92 Cb 0.00 -3.41 -0.08 0.00 -0.52 0.00 0.00 37.83 33.82 1xfl s LYS 92 CO 0.00 0.32 1.39 0.42 -0.92 0.00 0.00 175.35 176.56 1xfl s ILE 93 N 0.28 3.29 -0.04 2.17 1.01 -1.26 0.20 121.20 126.85 1xfl s ILE 93 Ca 0.10 0.93 -0.06 0.00 0.00 0.00 0.00 60.65 61.62 1xfl s ILE 93 Cb -0.11 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 1xfl s ILE 93 CO -0.01 0.08 -0.11 0.18 0.00 0.00 0.00 174.94 175.07 1xfl n LEU 94 N 3.85 0.81 -3.63 2.97 4.77 -0.72 -4.87 117.00 120.18 1xfl n LEU 94 Ca 0.11 0.13 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1xfl n LEU 94 Cb 0.42 -0.47 -0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1xfl n LEU 94 CO 0.59 -0.46 0.17 1.51 -1.33 0.00 0.00 177.39 177.86 1xfl s ASP 95 N -5.10 -0.27 -0.01 -1.43 1.47 -0.55 -5.04 116.67 105.75 1xfl s ASP 95 Ca -0.10 -0.20 -0.03 0.00 1.18 0.00 0.00 52.55 53.41 1xfl s ASP 95 Cb 0.01 0.46 -0.00 0.00 -0.34 0.00 0.00 42.92 43.06 1xfl s ASP 95 CO 0.14 -0.80 0.06 -1.59 0.68 0.00 0.00 175.17 173.66 1xfl s LYS 96 N -3.38 0.20 -0.19 2.11 -2.85 -1.26 0.07 119.74 114.44 1xfl s LYS 96 Ca 0.00 -0.16 -0.01 0.00 -1.00 0.00 0.00 55.97 54.80 1xfl s LYS 96 Cb 0.01 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 1xfl s LYS 96 CO -0.09 -0.04 -0.12 0.08 0.10 0.00 0.00 175.35 175.28 1xfl s VAL 97 N -0.56 2.72 -0.21 1.79 1.01 0.95 -4.98 120.40 121.13 1xfl s VAL 97 Ca -0.06 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 1xfl s VAL 97 Cb -0.04 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 34.10 1xfl s VAL 97 CO 0.00 0.49 0.09 0.54 0.00 0.00 0.00 175.10 176.22 1xfl s VAL 98 N 1.30 4.93 0.00 2.92 0.11 -1.26 -0.45 120.40 127.95 1xfl s VAL 98 Ca 0.04 0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 1xfl s VAL 98 Cb -0.14 -3.25 0.00 0.00 -1.53 0.00 0.00 36.38 31.46 1xfl s VAL 98 CO -0.07 0.42 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1xfl n GLY 99 N 3.87 2.02 3.59 6.54 0.00 0.13 -4.88 105.19 116.46 1xfl n GLY 99 Ca -0.16 -1.70 -0.42 0.00 0.00 0.00 0.00 46.02 43.74 1xfl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xfl s ALA 100 N -1.88 3.00 -0.22 4.61 0.00 -1.26 -4.80 121.76 121.21 1xfl s ALA 100 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 51.46 1xfl s ALA 100 Cb 0.00 -3.99 0.05 0.00 0.00 0.00 0.00 23.12 19.18 1xfl s ALA 100 CO 0.00 -2.55 -0.05 0.15 0.00 0.00 0.00 175.76 173.30 1xfl s LYS 101 N 4.97 1.60 -0.01 0.00 1.02 -1.26 -5.02 119.74 121.03 1xfl s LYS 101 Ca 0.52 -0.86 -0.25 0.00 0.02 0.00 0.00 55.97 55.39 1xfl s LYS 101 Cb -0.10 -2.45 -0.19 0.00 -0.52 0.00 0.00 37.83 34.57 1xfl s LYS 101 CO 0.29 -0.55 1.29 0.87 -0.92 0.00 0.00 175.35 176.33 1xfl h LYS 102 N 8.00 -0.04 -0.06 1.68 1.57 -1.99 -2.73 116.57 122.99 1xfl h LYS 102 Ca -0.20 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1xfl h LYS 102 Cb 1.08 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 1xfl h LYS 102 CO 0.42 0.39 -0.03 0.22 -0.57 0.00 0.00 179.45 179.88 1xfl h ASP 103 N -0.48 0.14 0.33 0.86 3.58 -2.00 -2.18 116.42 116.66 1xfl h ASP 103 Ca -0.00 -0.41 -0.07 0.00 0.42 0.00 0.00 57.03 56.97 1xfl h ASP 103 Cb 0.45 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1xfl h ASP 103 CO 0.01 0.51 -0.33 -0.08 -2.88 0.00 0.00 179.24 176.47 1xfl h GLU 104 N -0.24 0.00 0.03 0.28 4.81 -1.99 -1.65 114.58 115.82 1xfl h GLU 104 Ca 0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xfl h GLU 104 Cb 0.46 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1xfl h GLU 104 CO 0.01 0.33 -0.01 1.25 -0.73 0.00 0.00 179.01 179.86 1xfl h LEU 105 N 0.00 -0.03 -1.13 1.64 5.85 -1.29 0.21 115.31 120.56 1xfl h LEU 105 Ca -0.00 -0.08 0.05 0.00 0.84 0.00 0.00 57.88 58.69 1xfl h LEU 105 Cb 0.58 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.57 1xfl h LEU 105 CO 0.04 0.06 0.60 1.56 -0.34 0.00 0.00 178.44 180.36 1xfl h GLN 106 N -0.12 1.06 -0.15 1.25 1.08 -1.05 0.20 115.11 117.38 1xfl h GLN 106 Ca -0.00 -0.06 -0.12 0.00 -1.45 0.00 0.00 58.65 57.01 1xfl h GLN 106 Cb 0.11 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.29 1xfl h GLN 106 CO 0.01 0.70 -0.43 0.77 -0.95 0.00 0.00 178.83 178.93 1xfl h SER 107 N 1.09 0.39 -0.26 1.46 0.02 -0.77 -0.58 113.55 114.90 1xfl h SER 107 Ca 0.38 -0.17 -0.18 0.00 -0.84 0.00 0.00 61.79 60.98 1xfl h SER 107 Cb 0.11 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xfl h SER 107 CO -0.13 0.77 -0.53 0.74 -1.14 0.00 0.00 176.83 176.55 1xfl h THR 108 N 0.30 1.28 -0.07 -2.27 2.02 0.44 0.54 112.91 115.15 1xfl h THR 108 Ca 0.02 -1.72 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1xfl h THR 108 Cb 0.89 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.90 1xfl h THR 108 CO 0.07 0.56 0.04 0.40 0.37 0.00 0.00 175.52 176.96 1xfl h ILE 109 N 0.65 1.01 -0.03 3.11 1.08 -0.25 -0.78 117.51 122.30 1xfl h ILE 109 Ca 0.02 -0.03 -0.07 0.00 -0.39 0.00 0.00 64.86 64.40 1xfl h ILE 109 Cb 1.13 0.92 -0.01 0.00 -3.07 0.00 0.00 36.82 35.79 1xfl h ILE 109 CO 0.12 0.01 -0.29 0.00 -0.69 0.00 0.00 178.15 177.30 1xfl h ALA 110 N 1.03 1.46 -0.67 1.87 0.00 -1.05 0.27 119.26 122.16 1xfl h ALA 110 Ca 0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1xfl h ALA 110 Cb -0.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xfl h ALA 110 CO -0.01 0.40 0.16 -0.22 0.00 0.00 0.00 179.25 179.58 1xfl h LYS 111 N 0.05 1.06 -0.03 0.00 3.64 -0.31 -3.01 116.57 117.98 1xfl h LYS 111 Ca 0.01 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1xfl h LYS 111 Cb 0.54 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 1xfl h LYS 111 CO 0.04 0.93 -0.18 0.45 -2.27 0.00 0.00 179.45 178.42 1xfl h HIS 112 N 1.01 0.24 -1.93 1.91 3.86 -0.43 -3.41 115.15 116.40 1xfl h HIS 112 Ca 0.21 -0.11 -0.63 0.00 -1.16 0.00 0.00 60.37 58.68 1xfl h HIS 112 Cb 0.35 -0.04 -0.13 0.00 1.06 0.00 0.00 27.41 28.65 1xfl h HIS 112 CO 0.03 0.83 1.08 -0.51 0.86 0.00 0.00 177.93 180.21 1xfl s LEU 113 N -8.73 4.18 0.00 2.43 2.01 0.87 -5.11 118.68 114.33 1xfl s LEU 113 Ca -0.16 -1.52 0.28 0.00 0.01 0.00 0.00 54.13 52.74 1xfl s LEU 113 Cb 0.02 -2.48 1.04 0.00 0.01 0.00 0.00 46.19 44.77 1xfl s LEU 113 CO 0.73 -1.36 1.74 0.00 1.01 0.00 0.00 176.35 178.47