#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 3.41 0.31 -5.12 0.00 -1.26 -5.00 121.76 114.11 1xfl s ALA 2 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.11 1xfl s ALA 2 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.37 1xfl s ALA 2 CO 0.00 -1.67 0.00 0.43 0.00 0.00 0.00 175.76 174.52 1xfl n SER 3 N 7.44 0.00 0.00 0.00 7.64 -1.26 -5.11 113.62 122.33 1xfl n SER 3 Ca 0.14 -0.15 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1xfl n SER 3 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1xfl n SER 3 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1xfl n GLU 4 N -0.15 0.00 -1.39 1.43 4.07 -1.26 -5.16 120.64 118.18 1xfl n GLU 4 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xfl n GLU 4 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1xfl n GLU 4 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1xfl n GLU 5 N -1.85 -3.97 -0.88 5.31 4.71 -1.26 -4.87 120.64 117.83 1xfl n GLU 5 Ca 0.00 2.97 0.00 0.00 -0.01 0.00 0.00 57.16 60.12 1xfl n GLU 5 Cb 0.00 -3.38 0.00 0.00 -1.01 0.00 0.00 31.44 27.05 1xfl n GLU 5 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xfl n GLY 6 N -1.05 0.50 3.69 0.62 0.00 -0.41 -4.79 105.19 103.75 1xfl n GLY 6 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.12 4.25 -0.20 1.61 -2.07 -1.26 -4.70 119.66 116.18 1xfl s GLN 7 Ca 0.00 0.37 0.01 0.00 -1.82 0.00 0.00 55.36 53.92 1xfl s GLN 7 Cb 0.00 -3.50 0.03 0.00 -1.09 0.00 0.00 33.01 28.45 1xfl s GLN 7 CO 0.00 0.02 -0.17 0.08 -1.32 0.00 0.00 175.29 173.89 1xfl s VAL 8 N 1.10 2.17 -0.39 3.63 1.01 -1.26 -3.36 120.40 123.30 1xfl s VAL 8 Ca 0.24 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 60.97 1xfl s VAL 8 Cb -0.15 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1xfl s VAL 8 CO 0.09 0.43 0.64 -0.63 0.00 0.00 0.00 175.10 175.63 1xfl s ILE 9 N 1.27 4.86 -0.34 2.22 -1.09 0.49 -4.88 121.20 123.73 1xfl s ILE 9 Ca 0.03 0.36 -0.21 0.00 -2.23 0.00 0.00 60.65 58.60 1xfl s ILE 9 Cb -0.14 -4.13 -0.00 0.00 -1.58 0.00 0.00 42.46 36.60 1xfl s ILE 9 CO -0.11 -0.45 0.64 0.00 -1.23 0.00 0.00 174.94 173.80 1xfl s ALA 10 N 2.76 3.48 -0.20 9.38 0.00 -1.26 0.04 121.76 135.95 1xfl s ALA 10 Ca 0.23 -0.77 -0.16 0.00 0.00 0.00 0.00 51.96 51.26 1xfl s ALA 10 Cb -0.14 -3.16 -0.04 0.00 0.00 0.00 0.00 23.12 19.78 1xfl s ALA 10 CO 0.17 -1.27 0.42 0.00 0.00 0.00 0.00 175.76 175.08 1xfl n HIS 12 N 4.55 0.13 -3.86 0.00 8.25 -1.26 -3.78 115.22 119.25 1xfl n HIS 12 Ca -0.08 -0.15 -0.10 0.00 -0.26 0.00 0.00 57.72 57.14 1xfl n HIS 12 Cb 0.51 -0.01 -0.08 0.00 1.12 0.00 0.00 29.99 31.53 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 -0.92 0.13 0.23 1.59 -4.23 -1.26 -4.79 115.64 106.39 1xfl s THR 13 Ca 0.15 -1.04 0.29 0.00 -1.18 0.00 0.00 61.69 59.91 1xfl s THR 13 Cb 0.10 -1.10 0.31 0.00 1.34 0.00 0.00 72.50 73.15 1xfl s THR 13 CO 0.14 -0.57 1.97 1.62 -0.54 0.00 0.00 174.62 177.23 1xfl h VAL 14 N 3.18 0.36 0.12 2.29 3.04 -1.98 -2.96 116.25 120.30 1xfl h VAL 14 Ca -0.33 -0.73 -0.01 0.00 -1.01 0.00 0.00 66.70 64.63 1xfl h VAL 14 Cb 1.19 1.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.01 1xfl h VAL 14 CO 0.52 0.12 -0.06 -0.08 -1.01 0.00 0.00 177.57 177.06 1xfl h GLU 15 N 0.00 -0.15 -0.93 4.17 4.81 -1.98 0.31 114.58 120.81 1xfl h GLU 15 Ca -0.00 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1xfl h GLU 15 Cb 0.53 0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 1xfl h GLU 15 CO 0.02 0.02 0.58 1.15 -0.73 0.00 0.00 179.01 180.05 1xfl h THR 16 N -0.30 1.25 0.24 0.32 2.02 -1.94 0.81 112.91 115.30 1xfl h THR 16 Ca -0.02 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1xfl h THR 16 Cb 0.24 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.57 1xfl h THR 16 CO 0.03 0.25 -0.11 -0.25 0.37 0.00 0.00 175.52 175.80 1xfl h TRP 17 N 1.27 -0.30 -0.29 3.16 2.91 -1.34 -2.99 115.95 118.37 1xfl h TRP 17 Ca 0.34 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.35 1xfl h TRP 17 Cb -0.10 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 28.64 1xfl h TRP 17 CO -0.00 -0.14 0.18 -0.97 -1.03 0.00 0.00 178.44 176.49 1xfl h ASN 18 N -0.39 0.34 -0.37 2.65 -0.73 0.06 -1.93 115.58 115.21 1xfl h ASN 18 Ca -0.03 -0.03 0.06 0.00 1.87 0.00 0.00 56.30 58.17 1xfl h ASN 18 Cb 0.30 -0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.75 1xfl h ASN 18 CO 0.05 0.27 0.06 -0.08 -0.37 0.00 0.00 177.43 177.36 1xfl h GLU 19 N 0.38 0.17 -0.10 6.67 4.81 -0.87 -1.20 114.58 124.44 1xfl h GLU 19 Ca 0.10 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1xfl h GLU 19 Cb -0.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 1xfl h GLU 19 CO -0.02 0.11 -0.55 1.96 -0.73 0.00 0.00 179.01 179.78 1xfl h GLN 20 N 0.17 0.29 -0.50 1.92 7.50 -1.45 -2.98 115.11 120.07 1xfl h GLN 20 Ca 0.18 -0.18 -0.09 0.00 0.50 0.00 0.00 58.65 59.06 1xfl h GLN 20 Cb 0.22 0.02 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 1xfl h GLN 20 CO -0.25 0.77 -0.04 -0.07 -1.50 0.00 0.00 178.83 177.73 1xfl h LEU 21 N 0.22 0.90 -0.29 1.46 3.38 -0.64 0.14 115.31 120.48 1xfl h LEU 21 Ca 0.00 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1xfl h LEU 21 Cb 1.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1xfl h LEU 21 CO 0.09 1.01 0.19 1.56 0.09 0.00 0.00 178.44 181.38 1xfl h GLN 22 N 0.76 0.38 -0.31 1.13 4.20 -1.24 0.83 115.11 120.87 1xfl h GLN 22 Ca 0.14 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.81 1xfl h GLN 22 Cb 0.57 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1xfl h GLN 22 CO 0.03 0.25 0.13 -0.22 -0.67 0.00 0.00 178.83 178.36 1xfl h LYS 23 N 0.39 0.45 0.00 1.46 3.11 -1.35 -0.37 116.57 120.26 1xfl h LYS 23 Ca 0.11 -0.07 -0.08 0.00 -2.81 0.00 0.00 60.65 57.80 1xfl h LYS 23 Cb -0.04 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.10 1xfl h LYS 23 CO -0.02 0.44 -0.36 0.00 -2.81 0.00 0.00 179.45 176.70 1xfl h ALA 24 N 0.98 1.35 0.12 5.00 0.00 -0.49 -0.31 119.26 125.92 1xfl h ALA 24 Ca 0.10 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xfl h ALA 24 Cb 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1xfl h ALA 24 CO -0.01 0.45 -0.06 -0.97 0.00 0.00 0.00 179.25 178.66 1xfl h ASN 25 N 0.00 -0.14 -0.73 0.00 -1.24 -0.40 -0.94 115.58 112.12 1xfl h ASN 25 Ca -0.00 -0.41 -0.04 0.00 0.71 0.00 0.00 56.30 56.56 1xfl h ASN 25 Cb 0.66 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.71 1xfl h ASN 25 CO 0.05 0.46 0.31 -0.33 -1.29 0.00 0.00 177.43 176.63 1xfl h GLU 26 N -0.87 1.10 0.00 6.67 3.07 -1.01 -1.93 114.58 121.61 1xfl h GLU 26 Ca -0.02 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 1xfl h GLU 26 Cb 0.54 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 1xfl h GLU 26 CO 0.03 0.88 -0.01 0.43 -1.40 0.00 0.00 179.01 178.94 1xfl n SER 27 N -4.30 0.13 -2.76 1.42 7.64 -0.13 -4.90 113.62 110.72 1xfl n SER 27 Ca 0.07 0.50 -0.21 0.00 1.01 0.00 0.00 58.87 60.24 1xfl n SER 27 Cb 0.17 -0.54 0.01 0.00 -1.01 0.00 0.00 64.21 62.85 1xfl n SER 27 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1xfl n LYS 28 N -1.62 -3.41 -2.64 1.43 5.02 -0.47 -4.96 118.16 111.51 1xfl n LYS 28 Ca 0.07 0.91 -0.37 0.00 -2.02 0.00 0.00 58.31 56.90 1xfl n LYS 28 Cb 0.35 -5.68 -0.05 0.00 -0.02 0.00 0.00 35.03 29.63 1xfl n LYS 28 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1xfl s THR 29 N -3.08 3.92 0.06 -0.18 2.01 -0.53 -4.07 115.64 113.78 1xfl s THR 29 Ca 0.17 1.55 -0.30 0.00 0.31 0.00 0.00 61.69 63.42 1xfl s THR 29 Cb -0.08 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1xfl s THR 29 CO 0.21 0.08 1.05 -0.22 -0.69 0.00 0.00 174.62 175.06 1xfl s LEU 30 N -2.31 4.41 0.01 4.42 0.20 -1.26 -2.83 118.68 121.32 1xfl s LEU 30 Ca 0.54 1.84 0.06 0.00 0.69 0.00 0.00 54.13 57.26 1xfl s LEU 30 Cb -0.21 -3.58 -0.02 0.00 -0.43 0.00 0.00 46.19 41.95 1xfl s LEU 30 CO 0.27 -0.28 -0.17 0.54 -0.29 0.00 0.00 176.35 176.42 1xfl s VAL 31 N 0.66 1.36 -0.09 1.68 0.11 -0.99 -3.17 120.40 119.96 1xfl s VAL 31 Ca 0.53 -0.89 0.03 0.00 -2.93 0.00 0.00 61.98 58.71 1xfl s VAL 31 Cb -0.25 -1.17 0.01 0.00 -1.53 0.00 0.00 36.38 33.44 1xfl s VAL 31 CO 0.30 0.26 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.45 1xfl s VAL 32 N -0.59 1.62 -0.07 2.04 1.01 -1.12 -2.09 120.40 121.21 1xfl s VAL 32 Ca 0.06 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1xfl s VAL 32 Cb -0.07 -1.44 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1xfl s VAL 32 CO 0.00 0.46 -0.17 -0.69 0.00 0.00 0.00 175.10 174.71 1xfl s VAL 33 N 0.60 1.49 -0.30 2.92 1.01 -0.05 -1.08 120.40 124.99 1xfl s VAL 33 Ca -0.15 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 1xfl s VAL 33 Cb -0.17 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1xfl s VAL 33 CO 0.05 0.43 0.34 -0.62 0.00 0.00 0.00 175.10 175.30 1xfl s ASP 34 N 0.40 6.18 -0.31 3.32 2.15 -0.28 -0.30 116.67 127.84 1xfl s ASP 34 Ca -0.13 0.02 -0.06 0.00 0.43 0.00 0.00 52.55 52.81 1xfl s ASP 34 Cb -0.15 -2.19 0.02 0.00 -0.30 0.00 0.00 42.92 40.30 1xfl s ASP 34 CO 0.05 -0.23 0.07 -0.36 -0.17 0.00 0.00 175.17 174.53 1xfl s PHE 35 N 2.00 3.19 0.34 -5.34 0.40 0.24 -0.48 117.98 118.33 1xfl s PHE 35 Ca 0.12 -1.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.03 1xfl s PHE 35 Cb -0.16 -2.24 0.06 0.00 0.51 0.00 0.00 43.02 41.19 1xfl s PHE 35 CO 0.11 -0.66 0.83 -0.08 0.70 0.00 0.00 175.22 176.12 1xfl s THR 36 N 1.43 0.00 -0.07 0.64 -1.32 -0.98 -1.18 115.64 114.16 1xfl s THR 36 Ca 0.00 -0.93 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 1xfl s THR 36 Cb -0.18 -2.80 -0.03 0.00 -1.51 0.00 0.00 72.50 67.98 1xfl s THR 36 CO 0.02 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.37 1xfl s ALA 37 N -2.42 3.03 0.62 11.08 0.00 -1.26 -0.43 121.76 132.37 1xfl s ALA 37 Ca 0.16 -0.88 0.33 0.00 0.00 0.00 0.00 51.96 51.57 1xfl s ALA 37 Cb -0.05 -1.27 1.85 0.00 0.00 0.00 0.00 23.12 23.65 1xfl s ALA 37 CO 0.10 0.57 2.14 0.77 0.00 0.00 0.00 175.76 179.34 1xfl h SER 38 N 5.24 0.00 -0.04 0.00 0.02 -1.96 -1.13 113.55 115.69 1xfl h SER 38 Ca -0.49 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1xfl h SER 38 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1xfl h SER 38 CO 0.53 0.00 0.00 -2.67 -1.14 0.00 0.00 176.83 173.55 1xfl n TRP 39 N -3.45 0.05 -3.19 3.45 4.27 -1.26 -4.79 117.44 112.52 1xfl n TRP 39 Ca -0.00 -0.03 -0.40 0.00 -3.89 0.00 0.00 57.50 53.18 1xfl n TRP 39 Cb 0.27 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.15 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 8.29 -1.00 1.35 0.00 0.00 -1.89 -1.02 103.07 108.79 1xfl h GLY 41 Ca -0.31 0.37 0.07 0.00 0.00 0.00 0.00 47.33 47.45 1xfl h GLY 41 CO 0.75 -0.36 0.28 -2.55 0.00 0.00 0.00 176.54 174.66 1xfl h PRO 42 N -1.06 0.26 -0.33 4.80 0.11 -1.98 -0.45 132.00 133.35 1xfl h PRO 42 Ca -0.10 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.85 1xfl h PRO 42 Cb 0.73 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.77 1xfl h PRO 42 CO 0.16 0.17 -0.39 0.00 -0.21 0.00 0.00 178.00 177.74 1xfl h ARG 44 N 0.65 0.00 -0.23 0.00 2.43 0.24 -0.47 114.38 117.00 1xfl h ARG 44 Ca 0.06 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.08 1xfl h ARG 44 Cb 0.95 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.49 1xfl h ARG 44 CO 0.09 0.53 -0.45 0.35 -1.51 0.00 0.00 179.97 178.98 1xfl h PHE 45 N 0.00 0.70 0.00 2.20 3.57 -0.75 -3.20 116.94 119.46 1xfl h PHE 45 Ca -0.01 -0.22 -0.06 0.00 3.53 0.00 0.00 57.97 61.22 1xfl h PHE 45 Cb 1.00 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 1xfl h PHE 45 CO 0.00 0.92 -0.97 0.97 -2.23 0.00 0.00 178.31 177.01 1xfl h ILE 46 N 0.47 0.24 -0.53 1.41 6.09 -1.06 -3.39 117.51 120.74 1xfl h ILE 46 Ca 0.03 -1.43 0.11 0.00 -1.37 0.00 0.00 64.86 62.19 1xfl h ILE 46 Cb 0.96 1.82 -0.10 0.00 0.47 0.00 0.00 36.82 39.97 1xfl h ILE 46 CO 0.09 0.14 -0.13 0.00 -3.07 0.00 0.00 178.15 175.18 1xfl h ALA 47 N 1.77 0.35 -0.92 0.18 0.00 -1.08 -2.16 119.26 117.40 1xfl h ALA 47 Ca -0.05 0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.18 1xfl h ALA 47 Cb 1.22 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 19.34 1xfl h ALA 47 CO 0.02 -0.44 0.59 -1.00 0.00 0.00 0.00 179.25 178.43 1xfl h PRO 48 N 0.00 0.84 -0.05 0.00 0.13 -1.76 -1.00 132.00 130.16 1xfl h PRO 48 Ca 0.25 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 65.20 1xfl h PRO 48 Cb 0.39 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1xfl h PRO 48 CO -0.54 0.55 -0.58 0.35 -0.23 0.00 0.00 178.00 177.55 1xfl h PHE 49 N 0.86 0.20 -0.57 1.56 3.57 -1.67 -1.20 116.94 119.69 1xfl h PHE 49 Ca 0.44 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.81 1xfl h PHE 49 Cb 0.51 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 1xfl h PHE 49 CO -0.00 0.70 0.12 0.35 -2.23 0.00 0.00 178.31 177.25 1xfl h PHE 50 N 0.12 0.92 -0.02 0.41 3.57 -0.90 0.13 116.94 121.16 1xfl h PHE 50 Ca -0.00 -0.10 -0.12 0.00 3.53 0.00 0.00 57.97 61.28 1xfl h PHE 50 Cb 1.06 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 1xfl h PHE 50 CO 0.01 0.78 -0.57 0.00 -2.23 0.00 0.00 178.31 176.30 1xfl h ALA 51 N 1.28 1.03 -0.22 2.41 0.00 -0.96 -1.49 119.26 121.31 1xfl h ALA 51 Ca 0.18 -0.52 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1xfl h ALA 51 Cb 0.33 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1xfl h ALA 51 CO 0.00 0.71 -0.31 0.22 0.00 0.00 0.00 179.25 179.87 1xfl h ASP 52 N 0.04 0.66 -0.79 0.00 3.58 -0.42 -2.78 116.42 116.71 1xfl h ASP 52 Ca -0.00 -0.51 0.04 0.00 0.42 0.00 0.00 57.03 56.97 1xfl h ASP 52 Cb 1.01 -0.19 -0.05 0.00 1.72 0.00 0.00 39.33 41.83 1xfl h ASP 52 CO 0.08 1.04 0.50 0.25 -2.88 0.00 0.00 179.24 178.23 1xfl h LEU 53 N 0.29 0.83 -1.79 2.28 5.85 -0.67 -0.79 115.31 121.31 1xfl h LEU 53 Ca 0.02 -0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1xfl h LEU 53 Cb 0.89 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 1xfl h LEU 53 CO 0.07 0.56 0.25 0.00 -0.34 0.00 0.00 178.44 178.99 1xfl h ALA 54 N 1.34 2.02 0.00 1.25 0.00 -1.11 -1.28 119.26 121.48 1xfl h ALA 54 Ca 0.32 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 1xfl h ALA 54 Cb 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xfl h ALA 54 CO -0.12 -0.09 -0.83 -0.22 0.00 0.00 0.00 179.25 177.99 1xfl h LYS 55 N 0.26 0.00 0.02 0.00 3.64 -0.89 -1.07 116.57 118.54 1xfl h LYS 55 Ca 0.16 0.00 -0.23 0.00 -1.27 0.00 0.00 60.65 59.31 1xfl h LYS 55 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1xfl h LYS 55 CO -0.03 0.83 -0.99 -0.22 -2.27 0.00 0.00 179.45 176.76 1xfl h LYS 56 N 0.00 0.37 -4.06 1.90 3.64 -0.66 -3.40 116.57 114.36 1xfl h LYS 56 Ca -0.01 -0.43 -0.75 0.00 -1.27 0.00 0.00 60.65 58.19 1xfl h LYS 56 Cb 1.50 0.13 -0.27 0.00 -0.41 0.00 0.00 32.23 33.19 1xfl h LYS 56 CO 0.11 1.12 -0.21 -0.51 -2.27 0.00 0.00 179.45 177.68 1xfl s LEU 57 N -7.61 6.10 0.22 5.20 1.02 -0.74 -4.93 118.68 117.95 1xfl s LEU 57 Ca -0.05 -2.10 0.04 0.00 0.02 0.00 0.00 54.13 52.04 1xfl s LEU 57 Cb 0.09 -2.12 0.20 0.00 0.02 0.00 0.00 46.19 44.37 1xfl s LEU 57 CO 0.87 -0.71 1.53 -0.65 0.02 0.00 0.00 176.35 177.40 1xfl h PRO 58 N 8.39 0.22 -0.04 1.29 0.11 -1.77 -3.18 132.00 137.01 1xfl h PRO 58 Ca -0.17 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1xfl h PRO 58 Cb 1.07 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xfl h PRO 58 CO 0.90 0.80 0.00 0.27 -0.21 0.00 0.00 178.00 179.76 1xfl n ASN 59 N -3.83 1.49 -4.52 -2.05 6.94 -1.26 -4.74 115.26 107.30 1xfl n ASN 59 Ca -0.03 -1.52 -0.34 0.00 -0.02 0.00 0.00 54.58 52.68 1xfl n ASN 59 Cb 0.65 -0.02 -0.12 0.00 -2.36 0.00 0.00 39.78 37.94 1xfl n ASN 59 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1xfl s VAL 60 N -1.97 3.88 -0.25 3.53 1.01 -1.20 -4.64 120.40 120.76 1xfl s VAL 60 Ca 0.37 -0.37 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 1xfl s VAL 60 Cb 0.20 -2.68 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 1xfl s VAL 60 CO 0.33 0.51 0.17 -0.22 0.00 0.00 0.00 175.10 175.89 1xfl s LEU 61 N 0.14 4.08 -0.06 3.92 0.20 -1.19 -4.92 118.68 120.85 1xfl s LEU 61 Ca -0.01 0.07 -0.02 0.00 0.69 0.00 0.00 54.13 54.86 1xfl s LEU 61 Cb -0.14 -2.11 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1xfl s LEU 61 CO 0.03 0.03 0.06 -0.36 -0.29 0.00 0.00 176.35 175.81 1xfl s PHE 62 N 1.28 3.29 0.17 5.38 0.40 -1.21 -2.78 117.98 124.51 1xfl s PHE 62 Ca 0.07 0.26 0.07 0.00 -0.60 0.00 0.00 56.93 56.73 1xfl s PHE 62 Cb -0.14 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.55 1xfl s PHE 62 CO 0.07 0.55 -0.15 -0.51 0.70 0.00 0.00 175.22 175.88 1xfl s LEU 63 N -1.25 2.49 -0.05 -0.37 1.02 -0.24 -0.38 118.68 119.90 1xfl s LEU 63 Ca 0.17 -0.93 -0.01 0.00 0.02 0.00 0.00 54.13 53.39 1xfl s LEU 63 Cb -0.12 -0.65 0.03 0.00 0.02 0.00 0.00 46.19 45.47 1xfl s LEU 63 CO 0.07 -0.15 0.00 -0.75 0.02 0.00 0.00 176.35 175.55 1xfl s LYS 64 N -3.22 0.44 -0.25 1.70 2.36 0.11 -1.12 119.74 119.76 1xfl s LYS 64 Ca 0.17 0.11 -0.05 0.00 -2.55 0.00 0.00 55.97 53.65 1xfl s LYS 64 Cb -0.03 -0.73 -0.00 0.00 -1.05 0.00 0.00 37.83 36.02 1xfl s LYS 64 CO 0.05 -0.22 -0.00 0.08 1.55 0.00 0.00 175.35 176.81 1xfl s VAL 65 N 1.55 3.53 -0.20 4.02 1.01 0.37 -0.69 120.40 129.99 1xfl s VAL 65 Ca -0.02 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 1xfl s VAL 65 Cb -0.13 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.55 1xfl s VAL 65 CO -0.03 0.29 0.96 -0.62 0.00 0.00 0.00 175.10 175.70 1xfl s ASP 66 N 1.47 7.05 0.34 3.32 -1.08 -1.25 -2.32 116.67 124.20 1xfl s ASP 66 Ca 0.04 1.31 0.27 0.00 -0.52 0.00 0.00 52.55 53.64 1xfl s ASP 66 Cb -0.15 -2.51 1.00 0.00 -1.46 0.00 0.00 42.92 39.79 1xfl s ASP 66 CO -0.01 -0.56 1.79 0.71 0.52 0.00 0.00 175.17 177.61 1xfl h THR 67 N 5.35 0.00 0.13 1.71 1.35 -0.99 0.29 112.91 120.75 1xfl h THR 67 Ca -0.23 -0.41 -0.28 0.00 -0.55 0.00 0.00 66.41 64.93 1xfl h THR 67 Cb 1.09 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.80 1xfl h THR 67 CO 0.92 0.00 -1.29 -0.78 -0.25 0.00 0.00 175.52 174.11 1xfl h ASP 68 N 0.00 0.44 0.17 5.36 3.58 -1.91 -3.23 116.42 120.83 1xfl h ASP 68 Ca 0.00 -0.48 -0.01 0.00 0.42 0.00 0.00 57.03 56.96 1xfl h ASP 68 Cb 0.52 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.43 1xfl h ASP 68 CO 0.00 1.38 -0.08 -0.33 -2.88 0.00 0.00 179.24 177.33 1xfl h GLU 69 N 0.08 -0.22 -3.53 0.28 4.39 -1.84 -3.40 114.58 110.34 1xfl h GLU 69 Ca -0.15 0.01 -0.80 0.00 0.34 0.00 0.00 59.36 58.76 1xfl h GLU 69 Cb 1.99 0.05 -0.27 0.00 -0.10 0.00 0.00 28.75 30.42 1xfl h GLU 69 CO 0.20 -0.15 0.63 1.28 -1.16 0.00 0.00 179.01 179.82 1xfl n LEU 70 N -3.61 5.71 -0.12 1.33 4.32 0.10 -4.81 117.00 119.92 1xfl n LEU 70 Ca -0.03 -5.02 -0.13 0.00 -0.02 0.00 0.00 56.01 50.82 1xfl n LEU 70 Cb 0.09 -1.45 -0.03 0.00 -1.62 0.00 0.00 43.42 40.41 1xfl n LEU 70 CO 0.07 1.37 0.59 0.11 -1.22 0.00 0.00 177.39 178.30 1xfl h LYS 71 N 6.42 0.86 -0.35 3.23 1.57 -1.78 -1.28 116.57 125.25 1xfl h LYS 71 Ca 0.20 -0.43 -0.17 0.00 -1.87 0.00 0.00 60.65 58.38 1xfl h LYS 71 Cb 0.81 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 1xfl h LYS 71 CO 1.11 1.07 -0.44 0.77 -0.57 0.00 0.00 179.45 181.39 1xfl h SER 72 N 0.66 0.97 -0.40 0.86 0.02 -1.89 -0.95 113.55 112.82 1xfl h SER 72 Ca 0.07 -0.47 -0.09 0.00 -0.84 0.00 0.00 61.79 60.46 1xfl h SER 72 Cb 0.88 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 1xfl h SER 72 CO 0.08 1.27 -0.10 0.58 -1.14 0.00 0.00 176.83 177.52 1xfl h VAL 73 N 0.72 1.28 -0.47 2.27 2.07 -1.95 -0.93 116.25 119.23 1xfl h VAL 73 Ca 0.04 -1.19 0.03 0.00 0.82 0.00 0.00 66.70 66.41 1xfl h VAL 73 Cb 1.04 1.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.00 1xfl h VAL 73 CO 0.10 0.40 0.25 0.00 0.02 0.00 0.00 177.57 178.34 1xfl h ALA 74 N 0.84 0.59 -0.05 1.67 0.00 -1.10 -1.73 119.26 119.49 1xfl h ALA 74 Ca 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 1xfl h ALA 74 Cb 0.62 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1xfl h ALA 74 CO 0.04 -0.09 -0.38 1.03 0.00 0.00 0.00 179.25 179.84 1xfl h SER 75 N 0.49 0.10 -0.18 0.00 0.87 -1.03 0.15 113.55 113.95 1xfl h SER 75 Ca 0.20 -0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1xfl h SER 75 Cb 0.08 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 1xfl h SER 75 CO -0.13 0.48 -0.35 -0.78 -0.53 0.00 0.00 176.83 175.52 1xfl h ASP 76 N 0.08 0.73 -0.35 6.23 1.82 -0.32 -2.18 116.42 122.42 1xfl h ASP 76 Ca 0.01 -0.31 0.00 0.00 -0.39 0.00 0.00 57.03 56.34 1xfl h ASP 76 Cb 0.72 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.53 1xfl h ASP 76 CO 0.05 1.01 0.00 0.79 -1.61 0.00 0.00 179.24 179.48 1xfl n TRP 77 N -4.06 0.47 -2.39 0.28 7.02 -0.77 -4.90 117.44 113.09 1xfl n TRP 77 Ca -0.01 -0.23 -0.17 0.00 -1.02 0.00 0.00 57.50 56.06 1xfl n TRP 77 Cb 0.50 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.38 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 0.53 -0.54 -2.62 6.99 0.00 -0.82 -4.93 120.51 119.12 1xfl n ALA 78 Ca 0.12 0.15 -0.41 0.00 0.00 0.00 0.00 53.44 53.29 1xfl n ALA 78 Cb 0.30 -2.06 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 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 -2.87 3.91 -0.18 0.00 -1.09 0.51 -4.70 121.20 116.77 1xfl s ILE 79 Ca 0.03 -0.07 0.03 0.00 -2.23 0.00 0.00 60.65 58.40 1xfl s ILE 79 Cb -0.01 -4.91 -0.13 0.00 -1.58 0.00 0.00 42.46 35.83 1xfl s ILE 79 CO 0.04 -1.80 -0.14 1.67 -1.23 0.00 0.00 174.94 173.48 1xfl n GLN 80 N 8.87 0.58 -3.39 2.79 7.27 -1.26 -4.54 117.38 127.70 1xfl n GLN 80 Ca 0.10 0.10 -0.38 0.00 0.07 0.00 0.00 57.00 56.88 1xfl n GLN 80 Cb 0.49 -1.37 -0.06 0.00 2.41 0.00 0.00 30.24 31.71 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 -2.37 3.63 -0.12 1.69 0.00 -1.26 -5.06 121.76 118.26 1xfl s ALA 81 Ca -0.23 -0.12 0.00 0.00 0.00 0.00 0.00 51.96 51.61 1xfl s ALA 81 Cb 0.06 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.65 1xfl s ALA 81 CO 0.45 0.39 -0.14 -1.64 0.00 0.00 0.00 175.76 174.81 1xfl s MET 82 N -0.86 3.30 0.25 0.00 -1.94 -1.26 -3.24 119.30 115.56 1xfl s MET 82 Ca 0.26 -0.70 -0.02 0.00 -1.71 0.00 0.00 55.69 53.52 1xfl s MET 82 Cb -0.18 -2.59 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 1xfl s MET 82 CO 0.15 0.24 0.47 -1.25 -0.01 0.00 0.00 175.02 174.63 1xfl s PRO 83 N 0.27 3.56 -0.14 2.03 0.04 -1.26 -4.62 135.00 134.87 1xfl s PRO 83 Ca -0.10 -0.21 0.02 0.00 0.04 0.00 0.00 61.00 60.75 1xfl s PRO 83 Cb -0.16 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1xfl s PRO 83 CO 0.06 0.30 -0.19 0.99 0.04 0.00 0.00 177.00 178.19 1xfl s THR 84 N -2.00 2.34 -0.22 1.26 2.01 -0.33 -0.41 115.64 118.28 1xfl s THR 84 Ca 0.41 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.44 1xfl s THR 84 Cb -0.11 -1.95 -0.04 0.00 0.01 0.00 0.00 72.50 70.41 1xfl s THR 84 CO 0.30 0.54 0.08 -0.36 -0.69 0.00 0.00 174.62 174.48 1xfl s PHE 85 N 0.75 3.16 -0.22 4.92 0.08 0.05 -0.59 117.98 126.13 1xfl s PHE 85 Ca -0.08 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 1xfl s PHE 85 Cb -0.16 -2.18 -0.02 0.00 -0.57 0.00 0.00 43.02 40.10 1xfl s PHE 85 CO 0.00 -0.11 -0.01 1.41 -0.10 0.00 0.00 175.22 176.41 1xfl s MET 86 N 1.08 3.50 -0.26 0.44 -2.45 0.59 -0.98 119.30 121.23 1xfl s MET 86 Ca 0.05 -0.57 -0.06 0.00 -1.25 0.00 0.00 55.69 53.86 1xfl s MET 86 Cb -0.14 -3.08 -0.01 0.00 1.25 0.00 0.00 34.83 32.86 1xfl s MET 86 CO 0.03 -0.12 0.04 -0.06 1.05 0.00 0.00 175.02 175.97 1xfl s PHE 87 N 1.33 3.08 0.15 4.11 0.40 -0.11 -0.87 117.98 126.08 1xfl s PHE 87 Ca 0.04 -0.81 0.02 0.00 -0.60 0.00 0.00 56.93 55.58 1xfl s PHE 87 Cb -0.15 -2.21 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1xfl s PHE 87 CO -0.00 -0.50 -0.02 -0.48 0.70 0.00 0.00 175.22 174.91 1xfl s LEU 88 N 1.53 2.25 -0.09 -0.37 2.34 -0.89 -1.45 118.68 122.00 1xfl s LEU 88 Ca 0.04 -1.11 -0.01 0.00 0.06 0.00 0.00 54.13 53.11 1xfl s LEU 88 Cb -0.16 -0.07 0.03 0.00 -0.56 0.00 0.00 46.19 45.43 1xfl s LEU 88 CO 0.01 -0.53 -0.04 -0.75 -1.06 0.00 0.00 176.35 173.99 1xfl s LYS 89 N -3.88 1.08 -1.39 1.48 2.20 0.22 -2.35 119.74 117.10 1xfl s LYS 89 Ca 0.20 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1xfl s LYS 89 Cb 0.06 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 35.11 1xfl s LYS 89 CO 0.01 -0.27 0.00 0.39 -0.36 0.00 0.00 175.35 175.12 1xfl n GLU 90 N 4.96 -1.05 -0.25 4.03 1.02 -1.13 -0.76 120.64 127.46 1xfl n GLU 90 Ca -0.11 0.94 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 1xfl n GLU 90 Cb 0.50 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.87 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 -1.08 0.82 3.75 0.62 0.00 -1.25 -4.75 105.19 103.29 1xfl n GLY 91 Ca -0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.63 3.40 0.27 1.61 1.02 0.06 -5.06 119.74 120.41 1xfl s LYS 92 Ca 0.00 -0.28 -0.30 0.00 0.02 0.00 0.00 55.97 55.41 1xfl s LYS 92 Cb 0.00 -3.05 -0.10 0.00 -0.52 0.00 0.00 37.83 34.16 1xfl s LYS 92 CO 0.00 0.63 1.46 0.42 -0.92 0.00 0.00 175.35 176.94 1xfl s ILE 93 N -0.64 2.52 -0.00 2.17 1.01 -1.26 0.69 121.20 125.69 1xfl s ILE 93 Ca 0.12 0.45 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 1xfl s ILE 93 Cb -0.12 -3.28 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 1xfl s ILE 93 CO 0.02 0.08 -0.06 0.18 0.00 0.00 0.00 174.94 175.16 1xfl n LEU 94 N 2.11 0.61 -3.75 2.97 4.77 -0.53 -4.78 117.00 118.39 1xfl n LEU 94 Ca 0.06 0.09 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 1xfl n LEU 94 Cb 0.40 -0.32 -0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1xfl n LEU 94 CO 0.61 -0.53 0.03 1.51 -1.33 0.00 0.00 177.39 177.67 1xfl s ASP 95 N -5.20 -0.08 0.07 -1.43 1.47 -0.54 -5.03 116.67 105.93 1xfl s ASP 95 Ca -0.05 -0.36 0.10 0.00 1.18 0.00 0.00 52.55 53.42 1xfl s ASP 95 Cb 0.01 0.38 -0.03 0.00 -0.34 0.00 0.00 42.92 42.94 1xfl s ASP 95 CO 0.07 -0.71 -0.26 -0.54 0.68 0.00 0.00 175.17 174.41 1xfl s LYS 96 N -3.25 1.62 -0.18 2.11 -0.14 -1.26 -0.93 119.74 117.71 1xfl s LYS 96 Ca -0.00 -1.16 0.01 0.00 -1.36 0.00 0.00 55.97 53.46 1xfl s LYS 96 Cb 0.02 -1.89 0.02 0.00 -1.68 0.00 0.00 37.83 34.30 1xfl s LYS 96 CO -0.08 0.48 -0.19 0.08 -0.76 0.00 0.00 175.35 174.88 1xfl s VAL 97 N -0.89 2.05 -0.24 3.17 1.01 -0.15 -4.99 120.40 120.35 1xfl s VAL 97 Ca 0.12 -0.98 -0.05 0.00 0.00 0.00 0.00 61.98 61.07 1xfl s VAL 97 Cb -0.10 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 1xfl s VAL 97 CO 0.03 0.50 0.01 0.54 0.00 0.00 0.00 175.10 176.18 1xfl s VAL 98 N 1.28 3.71 0.00 2.92 0.11 -1.26 -0.77 120.40 126.40 1xfl s VAL 98 Ca 0.04 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 1xfl s VAL 98 Cb -0.13 -2.75 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 1xfl s VAL 98 CO -0.12 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.58 1xfl n GLY 99 N 4.84 -0.26 3.59 6.54 0.00 0.45 -4.84 105.19 115.51 1xfl n GLY 99 Ca -0.17 -1.47 -0.43 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.35 3.06 -0.21 4.61 0.00 -1.26 -4.82 121.76 120.79 1xfl s ALA 100 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1xfl s ALA 100 Cb 0.00 -3.98 0.05 0.00 0.00 0.00 0.00 23.12 19.20 1xfl s ALA 100 CO 0.00 -2.49 -0.05 0.15 0.00 0.00 0.00 175.76 173.37 1xfl s LYS 101 N 4.76 1.53 0.18 0.00 1.02 -1.26 -5.01 119.74 120.96 1xfl s LYS 101 Ca 0.46 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.57 1xfl s LYS 101 Cb -0.07 -2.37 0.06 0.00 -0.52 0.00 0.00 37.83 34.93 1xfl s LYS 101 CO 0.29 -0.54 1.64 -0.22 -0.92 0.00 0.00 175.35 175.59 1xfl h LYS 102 N 8.03 1.07 -0.78 1.68 3.64 -1.99 -0.63 116.57 127.59 1xfl h LYS 102 Ca -0.21 -0.34 -0.02 0.00 -1.27 0.00 0.00 60.65 58.81 1xfl h LYS 102 Cb 1.09 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 1xfl h LYS 102 CO 0.41 1.04 0.39 0.38 -2.27 0.00 0.00 179.45 179.41 1xfl h ASP 103 N 0.97 1.01 0.20 4.20 2.03 -1.99 0.38 116.42 123.22 1xfl h ASP 103 Ca 0.17 -0.12 -0.19 0.00 -0.73 0.00 0.00 57.03 56.16 1xfl h ASP 103 Cb 0.56 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.80 1xfl h ASP 103 CO 0.03 0.85 -0.72 -0.08 -1.03 0.00 0.00 179.24 178.29 1xfl h GLU 104 N 1.10 0.46 -0.44 4.15 4.57 -1.94 -1.36 114.58 121.11 1xfl h GLU 104 Ca 0.27 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 58.07 1xfl h GLU 104 Cb 0.09 0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 1xfl h GLU 104 CO -0.04 1.00 0.23 1.25 -1.18 0.00 0.00 179.01 180.27 1xfl h LEU 105 N 0.31 0.57 -1.08 1.64 5.85 -0.65 0.26 115.31 122.21 1xfl h LEU 105 Ca -0.03 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.58 1xfl h LEU 105 Cb 1.30 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.14 1xfl h LEU 105 CO 0.13 0.52 0.57 1.56 -0.34 0.00 0.00 178.44 180.88 1xfl h GLN 106 N 0.58 1.19 -0.39 1.25 1.08 -0.62 0.19 115.11 118.38 1xfl h GLN 106 Ca 0.15 -0.09 -0.13 0.00 -1.45 0.00 0.00 58.65 57.14 1xfl h GLN 106 Cb 0.09 -0.26 -0.01 0.00 -0.05 0.00 0.00 27.48 27.25 1xfl h GLN 106 CO -0.02 0.81 -0.29 0.77 -0.95 0.00 0.00 178.83 179.15 1xfl h SER 107 N 1.22 0.88 -0.63 1.46 0.02 -0.64 -1.20 113.55 114.67 1xfl h SER 107 Ca 0.33 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1xfl h SER 107 Cb -0.11 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.16 1xfl h SER 107 CO -0.07 1.11 0.10 0.74 -1.14 0.00 0.00 176.83 177.57 1xfl h THR 108 N 0.72 1.26 -0.46 -2.27 2.02 0.50 0.22 112.91 114.90 1xfl h THR 108 Ca 0.08 -1.02 -0.02 0.00 0.77 0.00 0.00 66.41 66.23 1xfl h THR 108 Cb 0.84 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.88 1xfl h THR 108 CO 0.07 0.38 0.21 0.40 0.37 0.00 0.00 175.52 176.95 1xfl h ILE 109 N 0.99 1.19 -0.10 3.11 2.04 -0.35 -1.01 117.51 123.38 1xfl h ILE 109 Ca 0.20 -0.56 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 1xfl h ILE 109 Cb 0.43 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1xfl h ILE 109 CO 0.01 0.21 -0.31 0.00 0.00 0.00 0.00 178.15 178.07 1xfl h ALA 110 N 1.05 1.31 -0.73 1.87 0.00 -0.87 -0.34 119.26 121.55 1xfl h ALA 110 Ca 0.16 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xfl h ALA 110 Cb 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1xfl h ALA 110 CO -0.02 0.48 0.34 -0.22 0.00 0.00 0.00 179.25 179.83 1xfl h LYS 111 N 0.16 1.05 -0.16 0.00 3.64 -0.04 -2.67 116.57 118.56 1xfl h LYS 111 Ca 0.02 -0.16 -0.16 0.00 -1.27 0.00 0.00 60.65 59.08 1xfl h LYS 111 Cb 0.63 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 1xfl h LYS 111 CO 0.05 0.83 -0.57 0.45 -2.27 0.00 0.00 179.45 177.94 1xfl h HIS 112 N 1.02 0.62 -3.95 1.91 3.86 -0.62 -3.45 115.15 114.54 1xfl h HIS 112 Ca 0.25 -0.22 -0.44 0.00 -1.16 0.00 0.00 60.37 58.79 1xfl h HIS 112 Cb 0.13 -0.11 0.16 0.00 1.06 0.00 0.00 27.41 28.65 1xfl h HIS 112 CO 0.01 0.94 0.26 -0.51 0.86 0.00 0.00 177.93 179.49 1xfl s LEU 113 N -8.25 1.70 0.00 2.43 1.43 -0.19 -5.11 118.68 110.70 1xfl s LEU 113 Ca -0.07 0.78 0.00 0.00 -1.03 0.00 0.00 54.13 53.82 1xfl s LEU 113 Cb 0.11 -2.87 0.00 0.00 0.03 0.00 0.00 46.19 43.46 1xfl s LEU 113 CO 0.83 -3.10 0.00 0.00 0.23 0.00 0.00 176.35 174.31