#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 1.04 0.07 3.17 0.00 -1.26 -5.16 121.76 119.62 1xfl s ALA 2 Ca 0.00 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.63 1xfl s ALA 2 Cb 0.00 0.05 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1xfl s ALA 2 CO 0.00 -0.06 0.39 -1.12 0.00 0.00 0.00 175.76 174.97 1xfl s SER 3 N -2.42 -0.24 -0.83 0.00 0.01 -1.26 -5.09 113.70 103.87 1xfl s SER 3 Ca 0.04 -0.12 -0.21 0.00 1.31 0.00 0.00 55.95 56.98 1xfl s SER 3 Cb -0.03 0.43 0.10 0.00 0.21 0.00 0.00 66.02 66.73 1xfl s SER 3 CO -0.01 -0.71 1.10 -0.70 0.41 0.00 0.00 173.24 173.34 1xfl s GLU 4 N -2.85 3.40 0.11 12.44 2.56 -1.26 -4.99 118.70 128.12 1xfl s GLU 4 Ca -0.03 -1.32 -0.21 0.00 0.00 0.00 0.00 54.97 53.42 1xfl s GLU 4 Cb 0.00 -4.69 -0.07 0.00 2.00 0.00 0.00 34.13 31.37 1xfl s GLU 4 CO -0.05 -1.84 0.63 -1.21 -0.56 0.00 0.00 175.26 172.23 1xfl s GLU 5 N 3.49 4.29 0.00 4.30 2.02 -1.26 -4.11 118.70 127.42 1xfl s GLU 5 Ca 0.30 0.84 0.00 0.00 0.02 0.00 0.00 54.97 56.13 1xfl s GLU 5 Cb -0.09 -3.19 0.00 0.00 0.10 0.00 0.00 34.13 30.95 1xfl s GLU 5 CO -0.02 0.59 0.00 0.41 0.02 0.00 0.00 175.26 176.26 1xfl n GLY 6 N 1.54 0.69 3.70 -1.39 0.00 -1.08 -4.80 105.19 103.85 1xfl n GLY 6 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1xfl n GLY 6 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xfl s GLN 7 N -0.27 2.98 -0.04 1.61 -1.52 -1.26 -4.73 119.66 116.42 1xfl s GLN 7 Ca 0.00 -0.43 0.06 0.00 -1.95 0.00 0.00 55.36 53.03 1xfl s GLN 7 Cb 0.00 -2.80 -0.02 0.00 -0.22 0.00 0.00 33.01 29.97 1xfl s GLN 7 CO 0.00 0.69 -0.22 0.08 -0.25 0.00 0.00 175.29 175.59 1xfl s VAL 8 N -0.95 2.39 -0.38 1.09 1.01 -1.26 -4.74 120.40 117.56 1xfl s VAL 8 Ca 0.15 -0.97 -0.24 0.00 0.00 0.00 0.00 61.98 60.93 1xfl s VAL 8 Cb -0.11 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.40 1xfl s VAL 8 CO 0.05 0.58 0.83 -0.63 0.00 0.00 0.00 175.10 175.92 1xfl s ILE 9 N -0.51 4.68 -0.43 2.22 1.09 -0.31 -4.86 121.20 123.08 1xfl s ILE 9 Ca 0.07 0.92 -0.15 0.00 -1.10 0.00 0.00 60.65 60.38 1xfl s ILE 9 Cb -0.11 -4.26 0.03 0.00 -1.06 0.00 0.00 42.46 37.06 1xfl s ILE 9 CO 0.01 -0.50 0.35 0.00 -0.10 0.00 0.00 174.94 174.69 1xfl s ALA 10 N 3.24 3.49 -0.13 9.38 0.00 -1.26 -0.22 121.76 136.26 1xfl s ALA 10 Ca 0.33 -1.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.31 1xfl s ALA 10 Cb -0.13 -2.97 -0.04 0.00 0.00 0.00 0.00 23.12 19.99 1xfl s ALA 10 CO 0.18 -1.56 0.49 0.00 0.00 0.00 0.00 175.76 174.88 1xfl n HIS 12 N 3.86 0.06 -3.94 0.00 8.25 -1.26 -3.77 115.22 118.41 1xfl n HIS 12 Ca -0.06 -0.50 -0.11 0.00 -0.26 0.00 0.00 57.72 56.79 1xfl n HIS 12 Cb 0.51 -0.05 -0.12 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.00 0.09 0.32 1.59 -4.23 -1.26 -4.77 115.64 106.39 1xfl s THR 13 Ca 0.03 -0.53 0.24 0.00 -1.18 0.00 0.00 61.69 60.25 1xfl s THR 13 Cb 0.02 -0.18 0.24 0.00 1.34 0.00 0.00 72.50 73.92 1xfl s THR 13 CO 0.02 -0.27 1.95 1.62 -0.54 0.00 0.00 174.62 177.40 1xfl h VAL 14 N 4.86 0.69 -0.01 2.29 3.04 -1.98 -1.98 116.25 123.17 1xfl h VAL 14 Ca -0.29 -0.86 -0.00 0.00 -1.01 0.00 0.00 66.70 64.54 1xfl h VAL 14 Cb 1.21 1.54 -0.00 0.00 -2.01 0.00 0.00 31.29 32.03 1xfl h VAL 14 CO 0.45 0.20 0.00 -0.08 -1.01 0.00 0.00 177.57 177.13 1xfl h GLU 15 N 0.00 0.02 -0.85 4.17 4.81 -1.98 0.15 114.58 120.89 1xfl h GLU 15 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1xfl h GLU 15 Cb 0.52 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.86 1xfl h GLU 15 CO 0.03 0.31 0.54 1.15 -0.73 0.00 0.00 179.01 180.31 1xfl h THR 16 N -0.28 1.23 0.06 0.32 2.02 -1.92 0.24 112.91 114.57 1xfl h THR 16 Ca 0.00 -0.46 0.02 0.00 0.77 0.00 0.00 66.41 66.74 1xfl h THR 16 Cb 0.30 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 1xfl h THR 16 CO 0.00 0.23 -0.19 -0.25 0.37 0.00 0.00 175.52 175.69 1xfl h TRP 17 N 1.16 -0.49 -0.16 3.16 2.91 -1.19 -0.39 115.95 120.96 1xfl h TRP 17 Ca 0.31 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.34 1xfl h TRP 17 Cb -0.09 0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.77 1xfl h TRP 17 CO -0.01 -0.27 0.08 -0.97 -1.03 0.00 0.00 178.44 176.25 1xfl h ASN 18 N -0.33 0.21 -0.29 2.65 -0.73 -0.15 -2.43 115.58 114.51 1xfl h ASN 18 Ca 0.04 -0.10 0.04 0.00 1.87 0.00 0.00 56.30 58.15 1xfl h ASN 18 Cb 0.38 -0.05 -0.04 0.00 0.27 0.00 0.00 38.32 38.88 1xfl h ASN 18 CO -0.14 0.25 0.06 -0.08 -0.37 0.00 0.00 177.43 177.15 1xfl h GLU 19 N 0.15 0.16 -0.19 6.67 4.81 -0.36 -2.03 114.58 123.79 1xfl h GLU 19 Ca 0.06 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 1xfl h GLU 19 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1xfl h GLU 19 CO -0.01 0.10 -0.22 1.96 -0.73 0.00 0.00 179.01 180.12 1xfl h GLN 20 N 0.16 0.33 -0.18 1.92 1.08 -0.99 -0.55 115.11 116.89 1xfl h GLN 20 Ca 0.13 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1xfl h GLN 20 Cb 0.14 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 1xfl h GLN 20 CO -0.18 0.54 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.15 1xfl h LEU 21 N 0.30 0.33 -1.16 1.46 3.38 -0.97 0.47 115.31 119.12 1xfl h LEU 21 Ca 0.05 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1xfl h LEU 21 Cb 0.55 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1xfl h LEU 21 CO 0.04 0.59 0.21 1.56 0.09 0.00 0.00 178.44 180.93 1xfl h GLN 22 N 0.06 0.80 -0.28 1.13 1.08 -1.08 -0.12 115.11 116.69 1xfl h GLN 22 Ca 0.05 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.07 1xfl h GLN 22 Cb 0.44 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 1xfl h GLN 22 CO 0.01 0.66 -0.06 -0.22 -0.95 0.00 0.00 178.83 178.28 1xfl h LYS 23 N 0.79 0.53 -0.60 1.46 3.11 -0.91 -0.59 116.57 120.35 1xfl h LYS 23 Ca 0.19 -0.20 -0.08 0.00 -2.81 0.00 0.00 60.65 57.75 1xfl h LYS 23 Cb 0.17 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.34 1xfl h LYS 23 CO -0.02 0.73 0.06 0.00 -2.81 0.00 0.00 179.45 177.42 1xfl h ALA 24 N 0.78 0.97 0.11 5.00 0.00 0.53 0.13 119.26 126.78 1xfl h ALA 24 Ca 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1xfl h ALA 24 Cb 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1xfl h ALA 24 CO 0.03 0.64 -0.05 -0.97 0.00 0.00 0.00 179.25 178.89 1xfl h ASN 25 N 0.94 -0.13 -0.59 0.00 -0.73 -0.97 0.19 115.58 114.29 1xfl h ASN 25 Ca 0.18 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.18 1xfl h ASN 25 Cb 0.45 0.03 -0.03 0.00 0.27 0.00 0.00 38.32 39.05 1xfl h ASN 25 CO 0.02 0.10 0.38 -0.08 -0.37 0.00 0.00 177.43 177.48 1xfl h GLU 26 N -0.36 0.78 0.00 6.67 4.81 -0.92 -1.61 114.58 123.95 1xfl h GLU 26 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1xfl h GLU 26 Cb 0.30 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1xfl h GLU 26 CO 0.03 0.53 0.00 0.43 -0.73 0.00 0.00 179.01 179.26 1xfl n SER 27 N -4.66 0.00 -3.32 1.04 7.64 0.43 -4.88 113.62 109.86 1xfl n SER 27 Ca 0.04 0.39 -0.24 0.00 1.01 0.00 0.00 58.87 60.07 1xfl n SER 27 Cb 0.03 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 62.78 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 -1.46 -4.45 -3.28 1.43 5.02 -0.01 -4.94 118.16 110.47 1xfl n LYS 28 Ca 0.08 0.67 -0.36 0.00 -2.02 0.00 0.00 58.31 56.69 1xfl n LYS 28 Cb 0.32 -5.48 -0.06 0.00 -0.02 0.00 0.00 35.03 29.79 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 -3.09 4.77 0.01 -0.18 2.01 -0.83 -4.48 115.64 113.85 1xfl s THR 29 Ca 0.41 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.09 1xfl s THR 29 Cb -0.20 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1xfl s THR 29 CO 0.50 0.26 1.34 -0.22 -0.69 0.00 0.00 174.62 175.81 1xfl s LEU 30 N -1.90 4.32 -0.03 4.42 0.20 -1.18 -2.28 118.68 122.24 1xfl s LEU 30 Ca 0.38 2.08 0.07 0.00 0.69 0.00 0.00 54.13 57.36 1xfl s LEU 30 Cb -0.16 -3.57 -0.02 0.00 -0.43 0.00 0.00 46.19 42.02 1xfl s LEU 30 CO 0.20 -0.66 -0.25 0.54 -0.29 0.00 0.00 176.35 175.89 1xfl s VAL 31 N 2.05 1.95 -0.08 1.68 0.11 -1.05 0.30 120.40 125.36 1xfl s VAL 31 Ca 0.62 -1.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.67 1xfl s VAL 31 Cb -0.31 -1.63 -0.00 0.00 -1.53 0.00 0.00 36.38 32.91 1xfl s VAL 31 CO 0.27 0.55 -0.23 0.54 -3.33 0.00 0.00 175.10 172.90 1xfl s VAL 32 N -0.48 1.91 -0.26 2.04 0.11 -0.13 -0.79 120.40 122.80 1xfl s VAL 32 Ca 0.06 -0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 58.12 1xfl s VAL 32 Cb -0.10 -1.65 0.01 0.00 -1.53 0.00 0.00 36.38 33.11 1xfl s VAL 32 CO 0.00 0.53 -0.00 -0.69 -3.33 0.00 0.00 175.10 171.61 1xfl s VAL 33 N 0.19 3.37 -0.39 2.04 1.01 0.88 -1.38 120.40 126.12 1xfl s VAL 33 Ca -0.13 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 1xfl s VAL 33 Cb -0.16 -2.69 0.01 0.00 0.00 0.00 0.00 36.38 33.53 1xfl s VAL 33 CO 0.06 0.19 0.32 -0.62 0.00 0.00 0.00 175.10 175.05 1xfl s ASP 34 N 1.42 6.12 -0.31 3.32 -1.08 0.61 -0.26 116.67 126.49 1xfl s ASP 34 Ca 0.02 -0.69 -0.19 0.00 -0.52 0.00 0.00 52.55 51.17 1xfl s ASP 34 Cb -0.16 -2.17 -0.01 0.00 -1.46 0.00 0.00 42.92 39.11 1xfl s ASP 34 CO -0.02 -0.41 0.58 -0.36 0.52 0.00 0.00 175.17 175.48 1xfl s PHE 35 N 1.80 3.22 0.32 -5.34 0.08 0.05 -0.47 117.98 117.64 1xfl s PHE 35 Ca 0.07 0.51 -0.01 0.00 0.12 0.00 0.00 56.93 57.62 1xfl s PHE 35 Cb -0.18 -2.92 -0.01 0.00 -0.57 0.00 0.00 43.02 39.34 1xfl s PHE 35 CO 0.11 -0.45 0.40 -0.08 -0.10 0.00 0.00 175.22 175.10 1xfl s THR 36 N 2.50 0.00 0.02 0.64 -1.32 -0.63 -2.18 115.64 114.67 1xfl s THR 36 Ca 0.23 -1.71 0.01 0.00 -1.21 0.00 0.00 61.69 59.01 1xfl s THR 36 Cb -0.15 -2.56 -0.02 0.00 -1.51 0.00 0.00 72.50 68.26 1xfl s THR 36 CO 0.12 0.00 -0.04 0.00 -2.21 0.00 0.00 174.62 172.49 1xfl s ALA 37 N -3.31 0.25 -0.06 11.08 0.00 -1.26 0.29 121.76 128.75 1xfl s ALA 37 Ca 0.33 -0.47 0.31 0.00 0.00 0.00 0.00 51.96 52.12 1xfl s ALA 37 Cb 0.01 0.06 1.29 0.00 0.00 0.00 0.00 23.12 24.48 1xfl s ALA 37 CO 0.20 -0.06 1.91 1.03 0.00 0.00 0.00 175.76 178.85 1xfl h SER 38 N 5.07 0.00 -0.39 0.00 0.87 -1.98 -2.20 113.55 114.93 1xfl h SER 38 Ca -0.31 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 1xfl h SER 38 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1xfl h SER 38 CO 0.44 0.00 0.00 -2.67 -0.53 0.00 0.00 176.83 174.07 1xfl n TRP 39 N -2.81 0.50 -3.23 2.24 4.27 -1.26 -4.92 117.44 112.23 1xfl n TRP 39 Ca 0.01 -0.25 -0.39 0.00 -3.89 0.00 0.00 57.50 52.97 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 8.08 -0.63 1.79 0.00 0.00 -1.91 -0.41 103.07 109.99 1xfl h GLY 41 Ca -0.33 0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.26 1xfl h GLY 41 CO 0.74 -0.23 0.09 -0.56 0.00 0.00 0.00 176.54 176.58 1xfl h PRO 42 N -0.64 0.05 -0.37 4.80 0.13 -1.95 0.82 132.00 134.85 1xfl h PRO 42 Ca -0.06 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.94 1xfl h PRO 42 Cb 0.47 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 1xfl h PRO 42 CO 0.10 0.03 -0.29 0.00 -0.23 0.00 0.00 178.00 177.62 1xfl h ARG 44 N 0.67 0.23 0.00 0.00 2.43 0.57 -3.20 114.38 115.08 1xfl h ARG 44 Ca 0.08 -0.32 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1xfl h ARG 44 Cb 0.82 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.47 1xfl h ARG 44 CO 0.07 1.09 -0.23 0.35 -1.51 0.00 0.00 179.97 179.74 1xfl h PHE 45 N 0.09 0.00 -0.00 2.20 3.57 -0.73 -2.30 116.94 119.77 1xfl h PHE 45 Ca -0.08 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1xfl h PHE 45 Cb 1.75 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.49 1xfl h PHE 45 CO 0.04 0.23 -0.38 1.51 -2.23 0.00 0.00 178.31 177.49 1xfl n ILE 46 N -3.83 0.00 0.01 1.41 0.13 -0.58 -4.28 119.36 112.21 1xfl n ILE 46 Ca -0.02 -0.00 -0.10 0.00 -1.10 0.00 0.00 62.75 61.53 1xfl n ILE 46 Cb 0.33 0.08 -0.04 0.00 -0.84 0.00 0.00 39.64 39.16 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 3.02 0.01 -0.90 1.51 0.00 -1.42 -1.42 119.26 120.07 1xfl h ALA 47 Ca 0.00 0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.11 1xfl h ALA 47 Cb 0.50 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1xfl h ALA 47 CO 0.00 -0.53 0.49 -1.00 0.00 0.00 0.00 179.25 178.21 1xfl h PRO 48 N -0.08 0.65 0.07 0.00 0.13 -1.77 0.11 132.00 131.11 1xfl h PRO 48 Ca 0.06 -0.04 -0.26 0.00 -0.87 0.00 0.00 66.00 64.89 1xfl h PRO 48 Cb 0.17 -0.15 0.01 0.00 0.13 0.00 0.00 31.00 31.16 1xfl h PRO 48 CO -0.14 0.43 -1.11 0.35 -0.23 0.00 0.00 178.00 177.30 1xfl h PHE 49 N 0.67 0.72 -0.40 1.56 3.57 -1.79 -2.35 116.94 118.92 1xfl h PHE 49 Ca 0.49 -0.44 -0.07 0.00 3.53 0.00 0.00 57.97 61.49 1xfl h PHE 49 Cb 0.71 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1xfl h PHE 49 CO -0.07 1.29 -0.03 0.35 -2.23 0.00 0.00 178.31 177.62 1xfl h PHE 50 N 0.21 0.69 0.00 0.41 3.57 -0.47 0.28 116.94 121.64 1xfl h PHE 50 Ca -0.13 -0.09 -0.10 0.00 3.53 0.00 0.00 57.97 61.18 1xfl h PHE 50 Cb 1.78 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1xfl h PHE 50 CO 0.08 0.68 -0.47 0.00 -2.23 0.00 0.00 178.31 176.36 1xfl h ALA 51 N 1.35 1.09 -0.17 2.41 0.00 -0.80 -0.17 119.26 122.98 1xfl h ALA 51 Ca 0.12 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 1xfl h ALA 51 Cb 0.44 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xfl h ALA 51 CO 0.02 0.59 -0.28 0.22 0.00 0.00 0.00 179.25 179.81 1xfl h ASP 52 N 0.00 0.53 -0.68 0.00 3.58 -0.71 -1.63 116.42 117.51 1xfl h ASP 52 Ca -0.00 -0.53 0.01 0.00 0.42 0.00 0.00 57.03 56.92 1xfl h ASP 52 Cb 0.91 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.77 1xfl h ASP 52 CO 0.06 0.96 0.44 0.25 -2.88 0.00 0.00 179.24 178.08 1xfl h LEU 53 N 0.12 0.76 -1.65 2.28 5.85 -0.86 0.19 115.31 122.00 1xfl h LEU 53 Ca 0.01 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1xfl h LEU 53 Cb 0.86 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1xfl h LEU 53 CO 0.06 0.54 0.07 0.00 -0.34 0.00 0.00 178.44 178.78 1xfl h ALA 54 N 1.26 1.72 0.06 1.25 0.00 -0.87 -0.23 119.26 122.46 1xfl h ALA 54 Ca 0.25 -0.07 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1xfl h ALA 54 Cb -0.08 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xfl h ALA 54 CO -0.07 0.22 -1.08 -0.22 0.00 0.00 0.00 179.25 178.11 1xfl h LYS 55 N 0.30 0.32 -0.07 0.00 3.64 -0.28 -2.86 116.57 117.63 1xfl h LYS 55 Ca 0.08 -0.43 -0.24 0.00 -1.27 0.00 0.00 60.65 58.78 1xfl h LYS 55 Cb 0.09 0.14 0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1xfl h LYS 55 CO -0.01 1.15 -0.91 -0.22 -2.27 0.00 0.00 179.45 177.19 1xfl h LYS 56 N 0.14 0.74 -4.56 1.90 3.64 0.13 -3.42 116.57 115.14 1xfl h LYS 56 Ca -0.10 -0.70 -0.70 0.00 -1.27 0.00 0.00 60.65 57.87 1xfl h LYS 56 Cb 1.76 0.18 -0.30 0.00 -0.41 0.00 0.00 32.23 33.46 1xfl h LYS 56 CO 0.18 1.29 -0.55 -0.51 -2.27 0.00 0.00 179.45 177.59 1xfl s LEU 57 N -8.27 4.78 0.00 5.20 1.43 -0.17 -4.93 118.68 116.73 1xfl s LEU 57 Ca -0.10 -1.45 0.26 0.00 -1.03 0.00 0.00 54.13 51.81 1xfl s LEU 57 Cb 0.07 -1.90 1.31 0.00 0.03 0.00 0.00 46.19 45.70 1xfl s LEU 57 CO 0.91 -0.44 1.87 -0.81 0.23 0.00 0.00 176.35 178.11 1xfl n PRO 58 N 4.80 1.31 -0.06 1.29 -0.04 -1.26 -3.44 135.00 137.60 1xfl n PRO 58 Ca -0.10 -0.45 0.08 0.00 -0.04 0.00 0.00 63.50 62.99 1xfl n PRO 58 Cb 0.43 -1.43 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 1xfl n PRO 58 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1xfl n ASN 59 N -0.41 2.53 -4.31 3.54 5.15 -1.26 -4.93 115.26 115.58 1xfl n ASN 59 Ca 0.19 -1.73 -0.32 0.00 -0.60 0.00 0.00 54.58 52.12 1xfl n ASN 59 Cb 0.21 -0.08 -0.16 0.00 -0.53 0.00 0.00 39.78 39.22 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 -1.22 2.33 -0.33 3.44 1.01 -1.22 -3.11 120.40 121.29 1xfl s VAL 60 Ca 0.22 -0.96 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1xfl s VAL 60 Cb 0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.62 1xfl s VAL 60 CO 0.20 0.57 0.28 -0.22 0.00 0.00 0.00 175.10 175.93 1xfl s LEU 61 N -0.14 4.44 -0.16 3.92 2.96 0.15 -4.97 118.68 124.88 1xfl s LEU 61 Ca -0.04 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.49 1xfl s LEU 61 Cb -0.14 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1xfl s LEU 61 CO 0.04 -0.25 0.10 -0.36 -1.32 0.00 0.00 176.35 174.56 1xfl s PHE 62 N 1.83 3.39 0.00 5.38 0.40 -1.26 -0.96 117.98 126.76 1xfl s PHE 62 Ca 0.08 0.30 0.03 0.00 -0.60 0.00 0.00 56.93 56.74 1xfl s PHE 62 Cb -0.17 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.32 1xfl s PHE 62 CO 0.11 0.40 -0.09 -0.51 0.70 0.00 0.00 175.22 175.83 1xfl s LEU 63 N -0.19 2.05 -0.19 -0.37 1.02 -0.48 -1.16 118.68 119.37 1xfl s LEU 63 Ca 0.09 -0.22 -0.00 0.00 0.02 0.00 0.00 54.13 54.02 1xfl s LEU 63 Cb -0.12 -0.44 0.01 0.00 0.02 0.00 0.00 46.19 45.66 1xfl s LEU 63 CO 0.01 0.08 -0.16 -0.54 0.02 0.00 0.00 176.35 175.76 1xfl s LYS 64 N -0.40 3.11 -0.21 1.70 1.02 0.69 -0.28 119.74 125.36 1xfl s LYS 64 Ca 0.02 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.24 1xfl s LYS 64 Cb -0.04 -2.68 0.02 0.00 -0.52 0.00 0.00 37.83 34.61 1xfl s LYS 64 CO -0.00 -0.17 -0.14 0.08 -0.92 0.00 0.00 175.35 174.19 1xfl s VAL 65 N 1.26 2.40 -0.16 3.17 1.01 0.37 -1.18 120.40 127.28 1xfl s VAL 65 Ca 0.04 -0.99 -0.28 0.00 0.00 0.00 0.00 61.98 60.74 1xfl s VAL 65 Cb -0.14 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.12 1xfl s VAL 65 CO -0.09 0.38 0.94 1.51 0.00 0.00 0.00 175.10 177.85 1xfl s ASP 66 N 1.29 7.09 0.01 3.32 -4.77 -1.25 -1.61 116.67 120.77 1xfl s ASP 66 Ca 0.02 1.35 0.19 0.00 -3.30 0.00 0.00 52.55 50.81 1xfl s ASP 66 Cb -0.15 -2.51 0.79 0.00 -1.09 0.00 0.00 42.92 39.96 1xfl s ASP 66 CO -0.09 -0.48 1.59 0.35 0.70 0.00 0.00 175.17 177.25 1xfl n THR 67 N 4.80 0.74 -0.03 2.11 -2.24 0.14 -0.91 114.28 118.89 1xfl n THR 67 Ca 0.08 0.18 -0.15 0.00 -2.27 0.00 0.00 64.05 61.89 1xfl n THR 67 Cb 0.48 -0.88 -0.10 0.00 -2.10 0.00 0.00 70.33 67.73 1xfl n THR 67 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1xfl h ASP 68 N 0.00 0.26 0.19 3.42 1.82 -1.90 -3.26 116.42 116.95 1xfl h ASP 68 Ca 0.00 -0.68 -0.01 0.00 -0.39 0.00 0.00 57.03 55.95 1xfl h ASP 68 Cb 0.32 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.26 1xfl h ASP 68 CO 0.00 0.91 -0.09 -0.33 -1.61 0.00 0.00 179.24 178.12 1xfl h GLU 69 N -0.36 -0.24 -4.25 0.28 4.39 -1.90 -3.39 114.58 109.10 1xfl h GLU 69 Ca -0.02 0.02 -0.74 0.00 0.34 0.00 0.00 59.36 58.96 1xfl h GLU 69 Cb 0.91 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 29.47 1xfl h GLU 69 CO 0.05 0.10 1.85 1.28 -1.16 0.00 0.00 179.01 181.13 1xfl n LEU 70 N -4.93 5.93 -0.05 1.33 7.99 -0.09 -4.70 117.00 122.49 1xfl n LEU 70 Ca -0.07 -4.47 -0.08 0.00 -0.01 0.00 0.00 56.01 51.38 1xfl n LEU 70 Cb 0.23 -1.57 0.09 0.00 -0.11 0.00 0.00 43.42 42.05 1xfl n LEU 70 CO 0.20 0.99 0.63 0.11 -1.51 0.00 0.00 177.39 177.80 1xfl h LYS 71 N 6.49 0.68 -0.40 3.23 1.79 -1.76 -1.72 116.57 124.88 1xfl h LYS 71 Ca 0.38 -0.32 -0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1xfl h LYS 71 Cb 0.75 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 1xfl h LYS 71 CO 1.48 0.92 0.14 0.77 -1.08 0.00 0.00 179.45 181.67 1xfl h SER 72 N 0.57 0.51 -0.08 0.86 0.02 -1.91 0.17 113.55 113.69 1xfl h SER 72 Ca 0.06 -0.06 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 1xfl h SER 72 Cb 0.86 -0.13 0.01 0.00 0.14 0.00 0.00 62.40 63.27 1xfl h SER 72 CO 0.07 0.49 -0.58 0.58 -1.14 0.00 0.00 176.83 176.25 1xfl h VAL 73 N 0.56 1.37 -0.90 2.27 2.07 -1.90 0.08 116.25 119.79 1xfl h VAL 73 Ca 0.14 -1.92 0.03 0.00 0.82 0.00 0.00 66.70 65.76 1xfl h VAL 73 Cb 0.15 2.28 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1xfl h VAL 73 CO -0.01 0.58 0.60 0.00 0.02 0.00 0.00 177.57 178.75 1xfl h ALA 74 N 0.44 1.40 -0.01 1.67 0.00 -0.85 -1.38 119.26 120.53 1xfl h ALA 74 Ca -0.05 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.63 1xfl h ALA 74 Cb 1.24 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1xfl h ALA 74 CO 0.12 0.52 -0.81 1.03 0.00 0.00 0.00 179.25 180.11 1xfl h SER 75 N 1.16 0.21 0.63 0.00 0.87 -0.63 0.12 113.55 115.91 1xfl h SER 75 Ca 0.35 -0.16 -0.16 0.00 -1.23 0.00 0.00 61.79 60.59 1xfl h SER 75 Cb -0.04 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1xfl h SER 75 CO -0.10 0.93 -0.72 -0.78 -0.53 0.00 0.00 176.83 175.64 1xfl h ASP 76 N 0.10 0.09 -0.08 6.23 3.58 -0.10 -3.03 116.42 123.21 1xfl h ASP 76 Ca -0.03 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.36 1xfl h ASP 76 Cb 1.41 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.44 1xfl h ASP 76 CO 0.12 0.78 0.00 0.79 -2.88 0.00 0.00 179.24 178.05 1xfl n TRP 77 N -3.72 0.09 -3.14 0.28 7.02 -0.60 -5.01 117.44 112.36 1xfl n TRP 77 Ca -0.02 -0.06 -0.07 0.00 -1.02 0.00 0.00 57.50 56.33 1xfl n TRP 77 Cb 0.70 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.59 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 1.06 -2.65 -3.12 6.99 0.00 -0.66 -4.93 120.51 117.19 1xfl n ALA 78 Ca 0.12 0.26 -0.45 0.00 0.00 0.00 0.00 53.44 53.37 1xfl n ALA 78 Cb 0.47 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 17.90 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 -2.82 4.93 -0.16 0.00 -1.09 0.33 -4.83 121.20 117.56 1xfl s ILE 79 Ca 0.08 -1.31 -0.18 0.00 -2.23 0.00 0.00 60.65 57.01 1xfl s ILE 79 Cb -0.02 -4.53 -0.15 0.00 -1.58 0.00 0.00 42.46 36.18 1xfl s ILE 79 CO 0.78 -1.16 0.28 -0.61 -1.23 0.00 0.00 174.94 172.99 1xfl h GLN 80 N 8.93 0.00 -4.99 2.79 -0.00 -1.92 -3.46 115.11 116.46 1xfl h GLN 80 Ca -0.17 0.00 -0.66 0.00 -0.00 0.00 0.00 58.65 57.82 1xfl h GLN 80 Cb 1.07 0.00 -0.27 0.00 0.00 0.00 0.00 27.48 28.28 1xfl h GLN 80 CO 1.05 0.66 -0.72 0.00 0.00 0.00 0.00 178.83 179.83 1xfl s ALA 81 N -2.42 2.84 -0.04 3.38 0.00 -1.26 -5.09 121.76 119.17 1xfl s ALA 81 Ca -0.19 -1.17 -0.08 0.00 0.00 0.00 0.00 51.96 50.52 1xfl s ALA 81 Cb 0.02 -1.73 -0.05 0.00 0.00 0.00 0.00 23.12 21.36 1xfl s ALA 81 CO 0.46 -0.44 0.24 -1.64 0.00 0.00 0.00 175.76 174.38 1xfl s MET 82 N 1.49 3.58 0.41 0.00 -1.94 -1.26 -3.73 119.30 117.84 1xfl s MET 82 Ca 0.06 -0.02 -0.10 0.00 -1.71 0.00 0.00 55.69 53.91 1xfl s MET 82 Cb -0.14 -3.15 -0.06 0.00 2.01 0.00 0.00 34.83 33.49 1xfl s MET 82 CO -0.03 0.71 0.77 -1.25 -0.01 0.00 0.00 175.02 175.21 1xfl s PRO 83 N -1.37 3.77 -0.15 2.03 0.04 -1.26 -4.52 135.00 133.53 1xfl s PRO 83 Ca 0.22 0.46 -0.00 0.00 0.04 0.00 0.00 61.00 61.72 1xfl s PRO 83 Cb -0.13 -2.39 -0.01 0.00 0.04 0.00 0.00 34.50 32.01 1xfl s PRO 83 CO 0.11 -0.04 -0.14 0.99 0.04 0.00 0.00 177.00 177.97 1xfl s THR 84 N -2.38 2.87 -0.25 1.26 2.01 -0.93 -0.14 115.64 118.08 1xfl s THR 84 Ca 0.51 -0.71 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 1xfl s THR 84 Cb -0.10 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.16 1xfl s THR 84 CO 0.32 0.51 0.09 -0.36 -0.69 0.00 0.00 174.62 174.49 1xfl s PHE 85 N 0.69 3.12 -0.21 4.92 0.08 0.52 -0.77 117.98 126.34 1xfl s PHE 85 Ca -0.07 -0.28 -0.03 0.00 0.12 0.00 0.00 56.93 56.67 1xfl s PHE 85 Cb -0.15 -2.26 -0.01 0.00 -0.57 0.00 0.00 43.02 40.03 1xfl s PHE 85 CO 0.02 -0.29 -0.06 1.41 -0.10 0.00 0.00 175.22 176.19 1xfl s MET 86 N 1.58 3.36 -0.27 0.44 -2.45 0.65 0.03 119.30 122.64 1xfl s MET 86 Ca 0.06 -0.64 -0.08 0.00 -1.25 0.00 0.00 55.69 53.78 1xfl s MET 86 Cb -0.15 -2.94 -0.02 0.00 1.25 0.00 0.00 34.83 32.97 1xfl s MET 86 CO 0.05 -0.14 0.10 -0.06 1.05 0.00 0.00 175.02 176.03 1xfl s PHE 87 N 1.30 3.13 0.33 4.11 0.40 0.95 -0.08 117.98 128.11 1xfl s PHE 87 Ca 0.04 -0.49 0.09 0.00 -0.60 0.00 0.00 56.93 55.96 1xfl s PHE 87 Cb -0.14 -2.28 -0.06 0.00 0.51 0.00 0.00 43.02 41.04 1xfl s PHE 87 CO -0.03 -0.40 -0.09 -0.51 0.70 0.00 0.00 175.22 174.90 1xfl s LEU 88 N 1.61 2.69 -0.11 -0.37 1.02 0.03 -1.41 118.68 122.14 1xfl s LEU 88 Ca 0.06 -1.20 -0.01 0.00 0.02 0.00 0.00 54.13 52.99 1xfl s LEU 88 Cb -0.16 -0.93 0.03 0.00 0.02 0.00 0.00 46.19 45.15 1xfl s LEU 88 CO 0.05 -0.23 -0.02 -0.75 0.02 0.00 0.00 176.35 175.42 1xfl s LYS 89 N -3.63 0.90 -1.76 1.70 2.20 0.17 -2.53 119.74 116.78 1xfl s LYS 89 Ca 0.32 -0.10 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1xfl s LYS 89 Cb 0.03 -1.36 0.00 0.00 -1.51 0.00 0.00 37.83 34.99 1xfl s LYS 89 CO 0.16 -0.35 0.00 0.39 -0.36 0.00 0.00 175.35 175.19 1xfl n GLU 90 N 5.06 -1.62 -0.07 4.03 1.02 -0.97 -0.84 120.64 127.26 1xfl n GLU 90 Ca -0.09 1.00 0.00 0.00 -0.02 0.00 0.00 57.16 58.05 1xfl n GLU 90 Cb 0.49 -5.63 0.00 0.00 -0.02 0.00 0.00 31.44 26.29 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 -1.00 0.97 3.75 0.62 0.00 -1.25 -4.53 105.19 103.75 1xfl n GLY 91 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 1xfl n GLY 91 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xfl s LYS 92 N -0.65 4.11 0.12 1.61 2.20 -0.02 -4.98 119.74 122.13 1xfl s LYS 92 Ca 0.00 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.25 1xfl s LYS 92 Cb 0.00 -3.38 -0.09 0.00 -1.51 0.00 0.00 37.83 32.85 1xfl s LYS 92 CO 0.00 0.36 1.57 0.42 -0.36 0.00 0.00 175.35 177.33 1xfl s ILE 93 N 0.15 2.88 -0.04 5.43 1.01 -1.26 0.41 121.20 129.78 1xfl s ILE 93 Ca 0.13 0.54 -0.06 0.00 0.00 0.00 0.00 60.65 61.26 1xfl s ILE 93 Cb -0.12 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.98 1xfl s ILE 93 CO 0.02 0.03 -0.12 0.18 0.00 0.00 0.00 174.94 175.04 1xfl n LEU 94 N 4.55 0.93 -3.54 2.97 4.77 -0.51 -4.85 117.00 121.31 1xfl n LEU 94 Ca 0.14 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1xfl n LEU 94 Cb 0.40 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 1xfl n LEU 94 CO 0.61 -0.47 0.28 1.51 -1.33 0.00 0.00 177.39 177.99 1xfl s ASP 95 N -5.27 -0.41 0.07 -1.43 -4.77 -0.50 -5.04 116.67 99.33 1xfl s ASP 95 Ca -0.10 -0.06 0.06 0.00 -3.30 0.00 0.00 52.55 49.15 1xfl s ASP 95 Cb 0.01 0.52 -0.03 0.00 -1.09 0.00 0.00 42.92 42.34 1xfl s ASP 95 CO 0.15 -0.85 -0.17 -0.54 0.70 0.00 0.00 175.17 174.46 1xfl s LYS 96 N -3.37 1.00 -0.15 2.11 1.02 -1.26 -0.04 119.74 119.05 1xfl s LYS 96 Ca -0.00 -1.00 0.02 0.00 0.02 0.00 0.00 55.97 55.01 1xfl s LYS 96 Cb 0.00 -1.12 0.01 0.00 -0.52 0.00 0.00 37.83 36.20 1xfl s LYS 96 CO -0.09 0.26 -0.20 0.08 -0.92 0.00 0.00 175.35 174.48 1xfl s VAL 97 N -1.12 2.20 -0.22 3.17 1.01 0.10 -4.99 120.40 120.56 1xfl s VAL 97 Ca 0.03 -0.92 -0.08 0.00 0.00 0.00 0.00 61.98 61.01 1xfl s VAL 97 Cb -0.10 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1xfl s VAL 97 CO 0.03 0.54 0.08 0.54 0.00 0.00 0.00 175.10 176.29 1xfl s VAL 98 N 0.94 4.73 0.00 2.92 0.11 -1.26 -0.35 120.40 127.49 1xfl s VAL 98 Ca -0.04 -0.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.97 1xfl s VAL 98 Cb -0.15 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1xfl s VAL 98 CO -0.04 0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.73 1xfl n GLY 99 N 4.16 -0.52 3.60 6.54 0.00 0.80 -4.77 105.19 115.00 1xfl n GLY 99 Ca -0.16 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 -3.01 3.09 -0.26 4.61 0.00 -1.26 -4.71 121.76 120.23 1xfl s ALA 100 Ca 0.00 -0.44 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1xfl s ALA 100 Cb 0.00 -3.94 0.06 0.00 0.00 0.00 0.00 23.12 19.24 1xfl s ALA 100 CO 0.00 -2.38 -0.10 0.15 0.00 0.00 0.00 175.76 173.42 1xfl s LYS 101 N 4.71 2.17 -0.02 0.00 -0.14 -1.26 -5.00 119.74 120.19 1xfl s LYS 101 Ca 0.51 -1.31 -0.25 0.00 -1.36 0.00 0.00 55.97 53.57 1xfl s LYS 101 Cb -0.09 -2.85 -0.19 0.00 -1.68 0.00 0.00 37.83 33.02 1xfl s LYS 101 CO 0.31 -0.57 1.20 -0.22 -0.76 0.00 0.00 175.35 175.31 1xfl h LYS 102 N 7.79 -0.10 -0.17 1.68 3.64 -2.00 -2.21 116.57 125.21 1xfl h LYS 102 Ca -0.19 0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.05 1xfl h LYS 102 Cb 1.04 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1xfl h LYS 102 CO 0.45 0.35 -0.47 -0.44 -2.27 0.00 0.00 179.45 177.08 1xfl h ASP 103 N -0.59 0.71 0.41 4.20 5.19 -2.02 -3.14 116.42 121.18 1xfl h ASP 103 Ca -0.01 -0.59 -0.07 0.00 -0.62 0.00 0.00 57.03 55.74 1xfl h ASP 103 Cb 0.49 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1xfl h ASP 103 CO 0.02 1.17 -0.33 -0.08 -3.12 0.00 0.00 179.24 176.90 1xfl h GLU 104 N 0.28 0.00 0.29 3.56 4.81 -1.99 -2.95 114.58 118.57 1xfl h GLU 104 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1xfl h GLU 104 Cb 1.09 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 1xfl h GLU 104 CO 0.10 0.33 -0.20 1.25 -0.73 0.00 0.00 179.01 179.76 1xfl h LEU 105 N 0.00 -0.50 -1.44 1.64 5.85 -1.34 0.20 115.31 119.73 1xfl h LEU 105 Ca -0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1xfl h LEU 105 Cb 0.62 0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1xfl h LEU 105 CO 0.04 -0.31 0.43 1.56 -0.34 0.00 0.00 178.44 179.83 1xfl h GLN 106 N -0.48 0.68 -0.37 1.25 7.50 -1.61 0.10 115.11 122.19 1xfl h GLN 106 Ca -0.02 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.01 1xfl h GLN 106 Cb 0.41 -0.15 -0.02 0.00 0.05 0.00 0.00 27.48 27.76 1xfl h GLN 106 CO 0.01 0.45 -0.10 0.77 -1.50 0.00 0.00 178.83 178.47 1xfl h SER 107 N 0.70 0.62 0.63 1.46 0.02 -1.21 0.13 113.55 115.90 1xfl h SER 107 Ca 0.28 -0.17 -0.18 0.00 -0.84 0.00 0.00 61.79 60.88 1xfl h SER 107 Cb 0.20 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1xfl h SER 107 CO -0.08 0.75 -0.81 0.74 -1.14 0.00 0.00 176.83 176.29 1xfl h THR 108 N 0.59 1.50 -0.14 -2.27 2.02 0.48 -1.25 112.91 113.84 1xfl h THR 108 Ca 0.11 -2.55 -0.03 0.00 0.77 0.00 0.00 66.41 64.71 1xfl h THR 108 Cb 0.51 2.40 -0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1xfl h THR 108 CO 0.03 0.74 -0.02 0.40 0.37 0.00 0.00 175.52 177.04 1xfl h ILE 109 N 0.08 1.27 -0.07 3.11 2.04 -0.26 -2.82 117.51 120.86 1xfl h ILE 109 Ca -0.03 -0.90 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 1xfl h ILE 109 Cb 1.41 1.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1xfl h ILE 109 CO 0.12 0.26 -0.15 0.00 0.00 0.00 0.00 178.15 178.38 1xfl h ALA 110 N 0.73 1.61 -0.35 1.87 0.00 -0.71 0.18 119.26 122.59 1xfl h ALA 110 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1xfl h ALA 110 Cb 0.41 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1xfl h ALA 110 CO 0.01 0.28 0.24 -0.22 0.00 0.00 0.00 179.25 179.56 1xfl h LYS 111 N 0.11 0.32 0.06 0.00 3.64 -1.04 -3.06 116.57 116.60 1xfl h LYS 111 Ca 0.02 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.03 1xfl h LYS 111 Cb 0.34 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 1xfl h LYS 111 CO 0.02 0.21 -2.02 0.72 -2.27 0.00 0.00 179.45 176.11 1xfl n HIS 112 N -4.48 0.77 -2.83 1.91 8.25 -0.39 -4.99 115.22 113.46 1xfl n HIS 112 Ca 0.04 0.21 -0.36 0.00 -0.26 0.00 0.00 57.72 57.35 1xfl n HIS 112 Cb 0.18 -1.09 -0.07 0.00 1.12 0.00 0.00 29.99 30.13 1xfl n HIS 112 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xfl s LEU 113 N -7.15 4.22 0.00 2.41 2.01 0.50 -5.12 118.68 115.55 1xfl s LEU 113 Ca -0.29 1.74 0.00 0.00 0.01 0.00 0.00 54.13 55.60 1xfl s LEU 113 Cb 0.08 -4.13 0.00 0.00 0.01 0.00 0.00 46.19 42.15 1xfl s LEU 113 CO 0.66 -0.15 0.00 0.00 1.01 0.00 0.00 176.35 177.87