#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 3.23 0.00 -5.12 0.00 -1.26 -5.00 121.76 113.60 1xfl s ALA 2 Ca 0.00 -2.72 0.00 0.00 0.00 0.00 0.00 51.96 49.24 1xfl s ALA 2 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 1xfl s ALA 2 CO 0.00 -1.86 0.00 0.43 0.00 0.00 0.00 175.76 174.33 1xfl n SER 3 N 4.28 -2.41 -4.56 0.00 7.64 -1.26 -4.58 113.62 112.73 1xfl n SER 3 Ca 0.01 0.01 -0.40 0.00 1.01 0.00 0.00 58.87 59.49 1xfl n SER 3 Cb 0.40 -0.03 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 1xfl n SER 3 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1xfl s GLU 4 N -0.02 3.03 0.15 1.43 1.03 -1.26 -4.93 118.70 118.13 1xfl s GLU 4 Ca 0.00 0.47 0.02 0.00 0.03 0.00 0.00 54.97 55.49 1xfl s GLU 4 Cb 0.00 -4.24 -0.05 0.00 -0.80 0.00 0.00 34.13 29.05 1xfl s GLU 4 CO 0.00 -2.27 -0.03 -1.83 -1.33 0.00 0.00 175.26 169.80 1xfl s GLU 5 N 6.14 1.04 -0.24 -4.83 -1.05 -1.26 -4.73 118.70 113.77 1xfl s GLU 5 Ca 0.57 -1.48 0.00 0.00 -0.15 0.00 0.00 54.97 53.91 1xfl s GLU 5 Cb -0.12 -0.31 0.00 0.00 -0.44 0.00 0.00 34.13 33.27 1xfl s GLU 5 CO 0.22 -0.08 0.00 0.41 0.95 0.00 0.00 175.26 176.76 1xfl n GLY 6 N -0.19 0.56 3.69 -3.83 0.00 0.11 -4.85 105.19 100.68 1xfl n GLY 6 Ca -0.08 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.43 4.22 -0.16 1.61 -2.07 -1.26 -4.70 119.66 115.87 1xfl s GLN 7 Ca 0.00 0.26 0.01 0.00 -1.82 0.00 0.00 55.36 53.81 1xfl s GLN 7 Cb 0.00 -3.50 0.01 0.00 -1.09 0.00 0.00 33.01 28.43 1xfl s GLN 7 CO 0.00 0.03 -0.19 0.08 -1.32 0.00 0.00 175.29 173.90 1xfl s VAL 8 N 1.07 2.26 -0.40 3.63 1.01 -1.26 -4.02 120.40 122.70 1xfl s VAL 8 Ca 0.21 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1xfl s VAL 8 Cb -0.15 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.31 1xfl s VAL 8 CO 0.08 0.53 0.73 -0.63 0.00 0.00 0.00 175.10 175.81 1xfl s ILE 9 N 1.03 4.75 -0.46 2.22 1.09 0.42 -4.86 121.20 125.39 1xfl s ILE 9 Ca -0.02 0.56 -0.18 0.00 -1.10 0.00 0.00 60.65 59.91 1xfl s ILE 9 Cb -0.14 -4.22 0.04 0.00 -1.06 0.00 0.00 42.46 37.08 1xfl s ILE 9 CO -0.06 -0.52 0.50 0.00 -0.10 0.00 0.00 174.94 174.76 1xfl s ALA 10 N 3.04 3.43 -0.36 9.38 0.00 -1.26 -0.30 121.76 135.68 1xfl s ALA 10 Ca 0.28 -1.66 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 1xfl s ALA 10 Cb -0.13 -3.16 0.01 0.00 0.00 0.00 0.00 23.12 19.83 1xfl s ALA 10 CO 0.19 -1.75 0.78 0.00 0.00 0.00 0.00 175.76 174.98 1xfl n HIS 12 N 6.40 0.57 -3.89 0.00 8.25 -1.26 -3.64 115.22 121.65 1xfl n HIS 12 Ca 0.03 -0.38 -0.11 0.00 -0.26 0.00 0.00 57.72 57.01 1xfl n HIS 12 Cb 0.48 -0.01 -0.10 0.00 1.12 0.00 0.00 29.99 31.48 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 -1.13 0.08 -0.01 1.59 -4.23 -1.26 -4.79 115.64 105.90 1xfl s THR 13 Ca 0.34 -0.67 0.25 0.00 -1.18 0.00 0.00 61.69 60.42 1xfl s THR 13 Cb 0.19 -0.37 0.26 0.00 1.34 0.00 0.00 72.50 73.92 1xfl s THR 13 CO 0.25 -0.37 1.77 1.62 -0.54 0.00 0.00 174.62 177.35 1xfl h VAL 14 N 4.42 0.39 -0.11 2.29 3.04 -1.96 -2.64 116.25 121.68 1xfl h VAL 14 Ca -0.30 -1.13 0.03 0.00 -1.01 0.00 0.00 66.70 64.28 1xfl h VAL 14 Cb 1.20 1.85 -0.03 0.00 -2.01 0.00 0.00 31.29 32.29 1xfl h VAL 14 CO 0.41 0.18 -0.09 -0.33 -1.01 0.00 0.00 177.57 176.72 1xfl h GLU 15 N 0.00 -0.11 -0.52 4.17 3.07 -1.99 0.25 114.58 119.45 1xfl h GLU 15 Ca -0.00 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.76 1xfl h GLU 15 Cb 0.83 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.75 1xfl h GLU 15 CO 0.02 -0.07 -0.09 1.15 -1.40 0.00 0.00 179.01 178.62 1xfl h THR 16 N -0.11 1.27 -0.11 1.13 2.02 -1.95 -1.86 112.91 113.30 1xfl h THR 16 Ca 0.07 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1xfl h THR 16 Cb 0.22 1.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 1xfl h THR 16 CO -0.17 0.43 -0.11 -0.25 0.37 0.00 0.00 175.52 175.79 1xfl h TRP 17 N 0.85 -0.28 -0.48 3.16 2.91 -1.11 -0.28 115.95 120.73 1xfl h TRP 17 Ca 0.14 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.16 1xfl h TRP 17 Cb 0.65 0.14 -0.02 0.00 -0.51 0.00 0.00 29.16 29.42 1xfl h TRP 17 CO 0.05 -0.17 0.26 -0.97 -1.03 0.00 0.00 178.44 176.58 1xfl h ASN 18 N -0.14 0.59 -0.65 2.65 -0.73 -0.45 -1.23 115.58 115.63 1xfl h ASN 18 Ca 0.08 -0.09 0.03 0.00 1.87 0.00 0.00 56.30 58.19 1xfl h ASN 18 Cb 0.25 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 38.65 1xfl h ASN 18 CO -0.19 0.51 0.40 -0.08 -0.37 0.00 0.00 177.43 177.71 1xfl h GLU 19 N 0.63 0.77 -0.20 6.67 4.57 -0.95 -1.14 114.58 124.93 1xfl h GLU 19 Ca 0.17 -0.05 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 1xfl h GLU 19 Cb 0.05 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 1xfl h GLU 19 CO -0.03 0.51 -0.60 1.96 -1.18 0.00 0.00 179.01 179.67 1xfl h GLN 20 N 0.80 0.68 -0.37 1.92 1.08 -0.83 -2.36 115.11 116.02 1xfl h GLN 20 Ca 0.26 -0.46 -0.02 0.00 -1.45 0.00 0.00 58.65 56.98 1xfl h GLN 20 Cb 0.01 0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1xfl h GLN 20 CO -0.10 1.08 0.13 -0.07 -0.95 0.00 0.00 178.83 178.92 1xfl h LEU 21 N 0.51 0.52 -1.18 1.46 3.38 -0.83 0.32 115.31 119.49 1xfl h LEU 21 Ca -0.00 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1xfl h LEU 21 Cb 1.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1xfl h LEU 21 CO 0.12 0.56 0.20 -0.61 0.09 0.00 0.00 178.44 178.80 1xfl h GLN 22 N 0.45 0.78 -0.42 1.13 5.75 -1.23 0.62 115.11 122.18 1xfl h GLN 22 Ca 0.12 -0.12 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 1xfl h GLN 22 Cb 0.22 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 1xfl h GLN 22 CO -0.01 0.65 0.14 -0.22 -2.65 0.00 0.00 178.83 176.75 1xfl h LYS 23 N 0.77 0.65 -0.07 1.69 3.64 -0.83 0.32 116.57 122.73 1xfl h LYS 23 Ca 0.18 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.31 1xfl h LYS 23 Cb 0.17 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1xfl h LYS 23 CO -0.02 0.63 -0.50 0.00 -2.27 0.00 0.00 179.45 177.30 1xfl h ALA 24 N 0.99 1.03 0.13 5.00 0.00 -0.42 -2.04 119.26 123.95 1xfl h ALA 24 Ca 0.14 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1xfl h ALA 24 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1xfl h ALA 24 CO -0.01 0.65 -0.06 -0.97 0.00 0.00 0.00 179.25 178.86 1xfl h ASN 25 N 0.15 -0.15 -0.61 0.00 -1.24 -0.59 -0.18 115.58 112.96 1xfl h ASN 25 Ca 0.01 -0.37 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1xfl h ASN 25 Cb 0.94 0.04 -0.03 0.00 0.73 0.00 0.00 38.32 39.99 1xfl h ASN 25 CO 0.07 0.45 0.39 -0.08 -1.29 0.00 0.00 177.43 176.98 1xfl h GLU 26 N -0.91 0.82 -0.02 6.67 4.81 -0.42 -2.20 114.58 123.33 1xfl h GLU 26 Ca -0.02 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1xfl h GLU 26 Cb 0.51 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1xfl h GLU 26 CO 0.03 0.56 -0.07 0.43 -0.73 0.00 0.00 179.01 179.23 1xfl n SER 27 N -4.64 1.84 -3.72 1.04 7.64 -0.77 -4.96 113.62 110.06 1xfl n SER 27 Ca 0.04 -1.54 -0.24 0.00 1.01 0.00 0.00 58.87 58.15 1xfl n SER 27 Cb 0.03 0.05 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 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 0.33 -3.61 -3.87 1.43 5.02 -0.59 -4.97 118.16 111.90 1xfl n LYS 28 Ca 0.16 0.55 -0.34 0.00 -2.02 0.00 0.00 58.31 56.67 1xfl n LYS 28 Cb 0.42 -4.85 -0.05 0.00 -0.02 0.00 0.00 35.03 30.53 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 -3.67 5.41 -0.06 -0.18 2.01 -0.18 -4.38 115.64 114.58 1xfl s THR 29 Ca 0.13 -0.05 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1xfl s THR 29 Cb -0.04 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1xfl s THR 29 CO 0.83 0.35 1.04 -0.22 -0.69 0.00 0.00 174.62 175.94 1xfl s LEU 30 N -1.84 4.29 0.01 4.42 0.20 -1.26 -2.17 118.68 122.33 1xfl s LEU 30 Ca 0.27 1.63 0.05 0.00 0.69 0.00 0.00 54.13 56.77 1xfl s LEU 30 Cb -0.13 -3.56 -0.02 0.00 -0.43 0.00 0.00 46.19 42.06 1xfl s LEU 30 CO 0.17 -0.43 -0.16 0.54 -0.29 0.00 0.00 176.35 176.18 1xfl s VAL 31 N 1.77 1.31 -0.15 1.68 0.11 -0.93 -2.62 120.40 121.56 1xfl s VAL 31 Ca 0.51 -0.84 0.01 0.00 -2.93 0.00 0.00 61.98 58.73 1xfl s VAL 31 Cb -0.20 -1.12 0.02 0.00 -1.53 0.00 0.00 36.38 33.55 1xfl s VAL 31 CO 0.21 0.26 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.38 1xfl s VAL 32 N -0.55 1.82 -0.10 2.04 1.01 0.40 -0.50 120.40 124.52 1xfl s VAL 32 Ca 0.05 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.26 1xfl s VAL 32 Cb -0.07 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1xfl s VAL 32 CO 0.00 0.50 -0.18 -0.69 0.00 0.00 0.00 175.10 174.73 1xfl s VAL 33 N 1.25 2.58 -0.25 2.92 1.01 0.32 -0.75 120.40 127.49 1xfl s VAL 33 Ca 0.02 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1xfl s VAL 33 Cb -0.14 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1xfl s VAL 33 CO -0.09 0.55 0.09 -0.62 0.00 0.00 0.00 175.10 175.02 1xfl s ASP 34 N 0.18 5.30 -0.30 3.32 2.15 0.55 0.04 116.67 127.90 1xfl s ASP 34 Ca -0.11 -0.16 -0.08 0.00 0.43 0.00 0.00 52.55 52.64 1xfl s ASP 34 Cb -0.16 -1.96 0.00 0.00 -0.30 0.00 0.00 42.92 40.51 1xfl s ASP 34 CO 0.06 -0.02 0.10 -0.36 -0.17 0.00 0.00 175.17 174.78 1xfl s PHE 35 N 1.54 3.15 0.36 -5.34 0.08 0.11 0.05 117.98 117.94 1xfl s PHE 35 Ca 0.06 -0.81 -0.16 0.00 0.12 0.00 0.00 56.93 56.14 1xfl s PHE 35 Cb -0.15 -2.28 0.05 0.00 -0.57 0.00 0.00 43.02 40.06 1xfl s PHE 35 CO 0.05 -0.52 0.76 -0.08 -0.10 0.00 0.00 175.22 175.32 1xfl s THR 36 N 1.54 0.00 0.14 0.64 -1.32 -0.76 -1.60 115.64 114.28 1xfl s THR 36 Ca 0.04 -1.04 0.10 0.00 -1.21 0.00 0.00 61.69 59.58 1xfl s THR 36 Cb -0.17 -2.71 -0.04 0.00 -1.51 0.00 0.00 72.50 68.07 1xfl s THR 36 CO 0.04 0.00 -0.20 0.00 -2.21 0.00 0.00 174.62 172.25 1xfl s ALA 37 N -2.65 2.62 0.12 11.08 0.00 -1.26 -1.34 121.76 130.33 1xfl s ALA 37 Ca 0.16 -1.45 0.26 0.00 0.00 0.00 0.00 51.96 50.93 1xfl s ALA 37 Cb -0.05 -0.54 1.02 0.00 0.00 0.00 0.00 23.12 23.55 1xfl s ALA 37 CO 0.11 0.54 1.86 0.77 0.00 0.00 0.00 175.76 179.04 1xfl h SER 38 N 3.57 0.00 -0.07 0.00 0.02 -1.99 -2.71 113.55 112.37 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 0.46 0.16 0.00 -2.67 -1.14 0.00 0.00 176.83 173.64 1xfl n TRP 39 N -3.32 0.09 -3.18 3.45 4.27 -1.26 -4.78 117.44 112.71 1xfl n TRP 39 Ca 0.00 -0.05 -0.40 0.00 -3.89 0.00 0.00 57.50 53.17 1xfl n TRP 39 Cb 0.40 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.29 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 -0.31 1.47 0.00 0.00 -1.89 -0.23 103.07 110.19 1xfl h GLY 41 Ca -0.32 0.13 0.07 0.00 0.00 0.00 0.00 47.33 47.21 1xfl h GLY 41 CO 0.76 -0.11 0.19 -0.56 0.00 0.00 0.00 176.54 176.82 1xfl h PRO 42 N -0.07 0.02 -0.31 4.80 0.13 -1.96 -1.49 132.00 133.12 1xfl h PRO 42 Ca -0.01 -0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.05 1xfl h PRO 42 Cb 0.05 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.17 1xfl h PRO 42 CO 0.01 0.01 -0.08 0.00 -0.23 0.00 0.00 178.00 177.71 1xfl h ARG 44 N 0.37 0.00 -0.15 0.00 2.43 -0.06 -2.21 114.38 114.76 1xfl h ARG 44 Ca 0.08 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.10 1xfl h ARG 44 Cb 0.58 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.12 1xfl h ARG 44 CO 0.03 0.45 -0.53 0.35 -1.51 0.00 0.00 179.97 178.76 1xfl h PHE 45 N 0.00 0.55 0.00 2.20 3.57 -1.04 -3.20 116.94 119.02 1xfl h PHE 45 Ca -0.00 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1xfl h PHE 45 Cb 0.85 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1xfl h PHE 45 CO 0.00 0.88 -0.49 1.51 -2.23 0.00 0.00 178.31 177.98 1xfl n ILE 46 N -3.95 0.30 -0.04 1.41 0.13 -0.20 -4.22 119.36 112.78 1xfl n ILE 46 Ca -0.03 -0.21 -0.08 0.00 -1.10 0.00 0.00 62.75 61.34 1xfl n ILE 46 Cb 0.58 -0.14 -0.02 0.00 -0.84 0.00 0.00 39.64 39.23 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 2.63 0.03 0.00 1.51 0.00 -1.40 -0.59 119.26 121.44 1xfl h ALA 47 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1xfl h ALA 47 Cb 0.69 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xfl h ALA 47 CO 0.00 -0.56 -0.16 -1.35 0.00 0.00 0.00 179.25 177.18 1xfl h PRO 48 N -0.13 0.00 -0.23 0.00 0.11 -1.77 -1.79 132.00 128.19 1xfl h PRO 48 Ca 0.13 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.11 1xfl h PRO 48 Cb 0.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.43 1xfl h PRO 48 CO -0.31 0.16 -0.36 0.35 -0.21 0.00 0.00 178.00 177.63 1xfl h PHE 49 N 0.00 0.81 -0.28 0.65 3.04 -1.57 -1.99 116.94 117.60 1xfl h PHE 49 Ca -0.00 -0.28 -0.06 0.00 3.98 0.00 0.00 57.97 61.61 1xfl h PHE 49 Cb 0.30 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.64 1xfl h PHE 49 CO 0.00 1.03 -0.09 0.35 -2.02 0.00 0.00 178.31 177.58 1xfl h PHE 50 N 0.36 0.49 -0.56 0.41 3.57 -0.70 -1.16 116.94 119.35 1xfl h PHE 50 Ca 0.02 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 1xfl h PHE 50 Cb 0.95 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 1xfl h PHE 50 CO 0.08 0.55 -0.07 0.00 -2.23 0.00 0.00 178.31 176.64 1xfl h ALA 51 N 1.47 0.83 -0.49 2.41 0.00 -1.19 -1.88 119.26 120.41 1xfl h ALA 51 Ca 0.09 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.59 1xfl h ALA 51 Cb 0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1xfl h ALA 51 CO 0.02 0.66 0.00 0.22 0.00 0.00 0.00 179.25 180.16 1xfl h ASP 52 N 0.91 0.77 -0.03 0.00 3.58 -0.69 -0.20 116.42 120.76 1xfl h ASP 52 Ca 0.15 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.42 1xfl h ASP 52 Cb 0.62 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.46 1xfl h ASP 52 CO 0.04 0.84 0.00 -0.07 -2.88 0.00 0.00 179.24 177.17 1xfl h LEU 53 N 0.75 -0.00 -1.58 2.28 3.38 -0.99 -1.46 115.31 117.68 1xfl h LEU 53 Ca 0.15 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 1xfl h LEU 53 Cb 0.45 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1xfl h LEU 53 CO 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 178.44 178.51 1xfl h ALA 54 N 1.03 1.66 -0.41 1.53 0.00 -0.90 -0.08 119.26 122.09 1xfl h ALA 54 Ca 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1xfl h ALA 54 Cb 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1xfl h ALA 54 CO -0.02 0.25 -0.07 -0.22 0.00 0.00 0.00 179.25 179.19 1xfl h LYS 55 N 0.21 0.69 0.00 0.00 3.64 -0.48 0.36 116.57 120.99 1xfl h LYS 55 Ca 0.05 -0.20 -0.22 0.00 -1.27 0.00 0.00 60.65 59.00 1xfl h LYS 55 Cb 0.22 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 1xfl h LYS 55 CO 0.01 0.76 -1.69 1.63 -2.27 0.00 0.00 179.45 177.89 1xfl n LYS 56 N -4.20 0.64 -3.59 1.90 5.02 -0.60 -4.26 118.16 113.06 1xfl n LYS 56 Ca 0.02 0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 56.08 1xfl n LYS 56 Cb 0.33 -1.74 -0.07 0.00 -0.02 0.00 0.00 35.03 33.53 1xfl n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xfl s LEU 57 N -5.72 5.73 0.00 -0.35 1.02 -0.10 -4.89 118.68 114.37 1xfl s LEU 57 Ca -0.05 -2.81 0.26 0.00 0.02 0.00 0.00 54.13 51.55 1xfl s LEU 57 Cb 0.08 -1.97 0.64 0.00 0.02 0.00 0.00 46.19 44.96 1xfl s LEU 57 CO 0.82 -0.43 1.50 -0.81 0.02 0.00 0.00 176.35 177.45 1xfl n PRO 58 N 3.64 0.15 -0.04 1.29 -0.04 -1.25 -3.57 135.00 135.18 1xfl n PRO 58 Ca 0.10 -0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.60 1xfl n PRO 58 Cb 0.41 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.59 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 -1.35 2.70 -4.24 3.54 5.15 -1.26 -4.77 115.26 115.03 1xfl n ASN 59 Ca 0.07 -1.88 -0.32 0.00 -0.60 0.00 0.00 54.58 51.85 1xfl n ASN 59 Cb 0.33 -0.06 -0.16 0.00 -0.53 0.00 0.00 39.78 39.36 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 -1.88 2.26 -0.11 3.44 1.01 -1.23 -4.63 120.40 119.26 1xfl s VAL 60 Ca 0.32 -0.93 -0.17 0.00 0.00 0.00 0.00 61.98 61.20 1xfl s VAL 60 Cb 0.21 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1xfl s VAL 60 CO 0.31 0.55 0.43 -0.76 0.00 0.00 0.00 175.10 175.63 1xfl s LEU 61 N 0.49 4.30 -0.08 3.92 2.01 -1.08 -4.92 118.68 123.32 1xfl s LEU 61 Ca -0.14 0.77 0.01 0.00 0.01 0.00 0.00 54.13 54.78 1xfl s LEU 61 Cb -0.17 -2.62 -0.03 0.00 0.01 0.00 0.00 46.19 43.39 1xfl s LEU 61 CO 0.05 0.07 -0.08 -0.36 1.01 0.00 0.00 176.35 177.04 1xfl s PHE 62 N 0.35 2.90 0.02 0.29 0.40 -1.26 -0.46 117.98 120.23 1xfl s PHE 62 Ca 0.24 -0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.54 1xfl s PHE 62 Cb -0.15 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.62 1xfl s PHE 62 CO 0.09 0.22 -0.23 -0.51 0.70 0.00 0.00 175.22 175.50 1xfl s LEU 63 N -0.55 2.11 -0.23 -0.37 1.02 0.07 -0.44 118.68 120.29 1xfl s LEU 63 Ca 0.08 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.77 1xfl s LEU 63 Cb -0.12 -1.12 0.04 0.00 0.02 0.00 0.00 46.19 45.02 1xfl s LEU 63 CO 0.02 0.23 -0.13 -0.75 0.02 0.00 0.00 176.35 175.73 1xfl s LYS 64 N -0.91 2.55 -0.24 1.70 2.36 0.58 -0.33 119.74 125.45 1xfl s LYS 64 Ca 0.09 -1.14 -0.07 0.00 -2.55 0.00 0.00 55.97 52.29 1xfl s LYS 64 Cb -0.09 -2.79 -0.03 0.00 -1.05 0.00 0.00 37.83 33.86 1xfl s LYS 64 CO 0.01 -0.43 0.08 0.08 1.55 0.00 0.00 175.35 176.63 1xfl s VAL 65 N 1.19 4.43 -0.40 4.02 1.01 0.11 -1.35 120.40 129.41 1xfl s VAL 65 Ca -0.03 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 1xfl s VAL 65 Cb -0.17 -3.06 0.01 0.00 0.00 0.00 0.00 36.38 33.16 1xfl s VAL 65 CO -0.08 0.35 0.73 -0.62 0.00 0.00 0.00 175.10 175.48 1xfl s ASP 66 N 1.44 6.45 0.19 3.32 -1.08 -1.24 -1.84 116.67 123.91 1xfl s ASP 66 Ca 0.06 0.07 0.23 0.00 -0.52 0.00 0.00 52.55 52.39 1xfl s ASP 66 Cb -0.15 -2.37 0.91 0.00 -1.46 0.00 0.00 42.92 39.85 1xfl s ASP 66 CO 0.04 -0.76 1.71 0.35 0.52 0.00 0.00 175.17 177.03 1xfl n THR 67 N 5.86 0.73 0.08 1.71 -2.24 -0.45 -0.42 114.28 119.56 1xfl n THR 67 Ca 0.01 0.08 -0.13 0.00 -2.27 0.00 0.00 64.05 61.74 1xfl n THR 67 Cb 0.48 -0.94 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 1xfl n THR 67 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1xfl h ASP 68 N 0.00 0.45 0.00 3.42 3.32 -1.91 -2.75 116.42 118.94 1xfl h ASP 68 Ca 0.00 -0.40 -0.04 0.00 0.02 0.00 0.00 57.03 56.61 1xfl h ASP 68 Cb 0.46 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1xfl h ASP 68 CO 0.00 1.23 -0.44 -0.33 -1.72 0.00 0.00 179.24 177.98 1xfl h GLU 69 N 0.16 0.00 -2.37 3.56 5.08 -1.89 -3.38 114.58 115.75 1xfl h GLU 69 Ca -0.09 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.66 1xfl h GLU 69 Cb 1.70 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.82 1xfl h GLU 69 CO 0.17 0.27 1.55 1.28 -1.00 0.00 0.00 179.01 181.28 1xfl n LEU 70 N -4.63 7.30 -0.03 1.33 4.32 0.44 -4.61 117.00 121.12 1xfl n LEU 70 Ca -0.10 -4.42 -0.07 0.00 -0.02 0.00 0.00 56.01 51.41 1xfl n LEU 70 Cb 0.28 -1.33 0.12 0.00 -1.62 0.00 0.00 43.42 40.87 1xfl n LEU 70 CO 0.11 1.91 0.66 0.50 -1.22 0.00 0.00 177.39 179.36 1xfl h LYS 71 N 3.90 0.62 -0.14 3.23 3.64 -1.67 -1.06 116.57 125.10 1xfl h LYS 71 Ca 0.56 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 1xfl h LYS 71 Cb 0.55 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1xfl h LYS 71 CO 1.18 0.85 -0.48 0.77 -2.27 0.00 0.00 179.45 179.50 1xfl h SER 72 N 0.53 0.39 -0.50 4.20 0.02 -1.85 -2.57 113.55 113.76 1xfl h SER 72 Ca 0.06 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 1xfl h SER 72 Cb 0.80 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.21 1xfl h SER 72 CO 0.07 0.81 -0.13 0.58 -1.14 0.00 0.00 176.83 177.01 1xfl h VAL 73 N 0.29 1.27 -0.80 2.27 2.07 -1.77 -1.66 116.25 117.92 1xfl h VAL 73 Ca 0.02 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1xfl h VAL 73 Cb 0.95 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1xfl h VAL 73 CO 0.08 0.45 0.51 0.00 0.02 0.00 0.00 177.57 178.63 1xfl h ALA 74 N 0.96 1.06 -0.51 1.67 0.00 -0.99 -0.49 119.26 120.95 1xfl h ALA 74 Ca 0.13 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1xfl h ALA 74 Cb 0.69 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1xfl h ALA 74 CO 0.05 0.32 0.02 0.77 0.00 0.00 0.00 179.25 180.40 1xfl h SER 75 N 0.98 0.88 -0.18 0.00 0.02 -1.15 0.31 113.55 114.42 1xfl h SER 75 Ca 0.32 -0.30 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 1xfl h SER 75 Cb 0.03 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 1xfl h SER 75 CO -0.12 0.96 -0.29 -0.78 -1.14 0.00 0.00 176.83 175.46 1xfl h ASP 76 N 0.77 0.68 -0.24 3.07 1.82 -0.66 -2.55 116.42 119.32 1xfl h ASP 76 Ca 0.15 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1xfl h ASP 76 Cb 0.50 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1xfl h ASP 76 CO 0.02 0.93 0.00 0.79 -1.61 0.00 0.00 179.24 179.37 1xfl n TRP 77 N -4.09 0.31 -3.37 0.28 7.02 -0.25 -4.93 117.44 112.42 1xfl n TRP 77 Ca -0.01 -0.16 -0.18 0.00 -1.02 0.00 0.00 57.50 56.14 1xfl n TRP 77 Cb 0.46 0.00 0.08 0.00 -2.42 0.00 0.00 31.31 29.42 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 0.52 -1.47 -3.67 6.99 0.00 -0.83 -4.98 120.51 117.06 1xfl n ALA 78 Ca 0.16 0.15 -0.38 0.00 0.00 0.00 0.00 53.44 53.37 1xfl n ALA 78 Cb 0.36 -3.58 -0.09 0.00 0.00 0.00 0.00 19.45 16.14 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 -3.30 3.93 -0.18 0.00 -1.09 0.10 -4.77 121.20 115.90 1xfl s ILE 79 Ca 0.26 -2.79 0.01 0.00 -2.23 0.00 0.00 60.65 55.90 1xfl s ILE 79 Cb -0.12 -3.55 -0.11 0.00 -1.58 0.00 0.00 42.46 37.10 1xfl s ILE 79 CO 0.65 -0.88 -0.16 0.00 -1.23 0.00 0.00 174.94 173.32 1xfl n GLN 80 N 3.69 0.44 -2.87 2.79 3.00 -1.26 -4.57 117.38 118.59 1xfl n GLN 80 Ca 0.07 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.75 1xfl n GLN 80 Cb 0.39 -1.34 -0.04 0.00 0.00 0.00 0.00 30.24 29.25 1xfl n GLN 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1xfl s ALA 81 N -2.35 3.64 0.14 -1.58 0.00 -1.26 -5.04 121.76 115.31 1xfl s ALA 81 Ca -0.24 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.68 1xfl s ALA 81 Cb 0.06 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1xfl s ALA 81 CO 0.40 -0.98 -0.17 -1.64 0.00 0.00 0.00 175.76 173.37 1xfl s MET 82 N 2.91 1.82 0.32 0.00 -1.94 -1.26 -4.22 119.30 116.93 1xfl s MET 82 Ca 0.36 -1.23 -0.06 0.00 -1.71 0.00 0.00 55.69 53.05 1xfl s MET 82 Cb -0.15 -2.10 -0.05 0.00 2.01 0.00 0.00 34.83 34.54 1xfl s MET 82 CO 0.08 0.46 0.60 -1.25 -0.01 0.00 0.00 175.02 174.90 1xfl s PRO 83 N -2.34 3.65 -0.13 2.03 0.04 -1.26 -4.59 135.00 132.39 1xfl s PRO 83 Ca 0.20 0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.35 1xfl s PRO 83 Cb -0.10 -2.59 0.01 0.00 0.04 0.00 0.00 34.50 31.86 1xfl s PRO 83 CO 0.11 0.15 -0.21 0.99 0.04 0.00 0.00 177.00 178.09 1xfl s THR 84 N -2.16 1.94 -0.25 1.26 2.01 -0.63 -0.34 115.64 117.47 1xfl s THR 84 Ca 0.45 -0.91 -0.08 0.00 0.31 0.00 0.00 61.69 61.46 1xfl s THR 84 Cb -0.11 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.65 1xfl s THR 84 CO 0.31 0.53 0.09 -0.36 -0.69 0.00 0.00 174.62 174.49 1xfl s PHE 85 N 0.80 3.12 -0.19 4.92 0.08 0.13 -0.71 117.98 126.12 1xfl s PHE 85 Ca -0.08 -0.30 -0.02 0.00 0.12 0.00 0.00 56.93 56.64 1xfl s PHE 85 Cb -0.16 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 1xfl s PHE 85 CO -0.01 -0.29 -0.09 1.41 -0.10 0.00 0.00 175.22 176.15 1xfl s MET 86 N 1.53 3.32 -0.29 0.44 -2.45 0.11 -0.16 119.30 121.79 1xfl s MET 86 Ca 0.06 -0.67 -0.10 0.00 -1.25 0.00 0.00 55.69 53.73 1xfl s MET 86 Cb -0.15 -2.86 -0.03 0.00 1.25 0.00 0.00 34.83 33.04 1xfl s MET 86 CO 0.05 -0.11 0.17 -0.06 1.05 0.00 0.00 175.02 176.12 1xfl s PHE 87 N 1.20 3.19 0.27 4.11 0.40 0.16 -0.52 117.98 126.79 1xfl s PHE 87 Ca 0.02 -0.21 0.11 0.00 -0.60 0.00 0.00 56.93 56.25 1xfl s PHE 87 Cb -0.14 -2.37 -0.05 0.00 0.51 0.00 0.00 43.02 40.97 1xfl s PHE 87 CO -0.03 -0.31 -0.19 -0.51 0.70 0.00 0.00 175.22 174.88 1xfl s LEU 88 N 1.69 2.59 -0.11 -0.37 1.02 0.34 -1.14 118.68 122.70 1xfl s LEU 88 Ca 0.06 -1.03 -0.01 0.00 0.02 0.00 0.00 54.13 53.17 1xfl s LEU 88 Cb -0.16 -1.04 0.03 0.00 0.02 0.00 0.00 46.19 45.04 1xfl s LEU 88 CO 0.08 0.00 -0.02 -0.75 0.02 0.00 0.00 176.35 175.69 1xfl s LYS 89 N -3.53 0.93 -1.27 1.70 2.20 0.16 -2.19 119.74 117.74 1xfl s LYS 89 Ca 0.29 -0.12 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 1xfl s LYS 89 Cb -0.04 -1.39 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 1xfl s LYS 89 CO 0.14 -0.36 0.00 0.39 -0.36 0.00 0.00 175.35 175.16 1xfl n GLU 90 N 5.06 -0.93 -0.23 4.03 1.02 -0.92 -1.48 120.64 127.17 1xfl n GLU 90 Ca -0.09 0.84 0.00 0.00 -0.02 0.00 0.00 57.16 57.88 1xfl n GLU 90 Cb 0.49 -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 -1.27 0.93 3.73 0.62 0.00 -1.18 -4.42 105.19 103.59 1xfl n GLY 91 Ca -0.14 0.00 -0.35 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 -0.59 4.07 -0.01 1.61 1.02 -0.55 -4.94 119.74 120.36 1xfl s LYS 92 Ca 0.00 -0.23 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 1xfl s LYS 92 Cb 0.00 -3.35 -0.06 0.00 -0.52 0.00 0.00 37.83 33.90 1xfl s LYS 92 CO 0.00 0.35 1.45 0.42 -0.92 0.00 0.00 175.35 176.64 1xfl s ILE 93 N 0.21 3.65 -0.18 2.17 1.01 -1.26 0.38 121.20 127.18 1xfl s ILE 93 Ca 0.08 1.01 -0.17 0.00 0.00 0.00 0.00 60.65 61.57 1xfl s ILE 93 Cb -0.11 -3.65 -0.06 0.00 0.01 0.00 0.00 42.46 38.65 1xfl s ILE 93 CO -0.01 -0.02 -0.34 0.18 0.00 0.00 0.00 174.94 174.76 1xfl n LEU 94 N 5.63 1.93 -3.66 2.97 4.77 -0.29 -4.88 117.00 123.47 1xfl n LEU 94 Ca 0.14 0.35 -0.12 0.00 -0.03 0.00 0.00 56.01 56.36 1xfl n LEU 94 Cb 0.43 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 1xfl n LEU 94 CO 0.59 -0.26 0.14 1.51 -1.33 0.00 0.00 177.39 178.05 1xfl s ASP 95 N -5.95 -0.24 -0.01 -1.43 1.47 -0.62 -5.03 116.67 104.86 1xfl s ASP 95 Ca -0.28 -0.16 0.00 0.00 1.18 0.00 0.00 52.55 53.29 1xfl s ASP 95 Cb 0.04 0.44 0.01 0.00 -0.34 0.00 0.00 42.92 43.07 1xfl s ASP 95 CO 0.42 -0.74 0.01 -1.59 0.68 0.00 0.00 175.17 173.94 1xfl s LYS 96 N -3.07 0.03 -0.16 2.11 -2.85 -1.26 0.40 119.74 114.94 1xfl s LYS 96 Ca -0.02 0.05 -0.00 0.00 -1.00 0.00 0.00 55.97 55.00 1xfl s LYS 96 Cb 0.00 -0.12 -0.00 0.00 -2.06 0.00 0.00 37.83 35.65 1xfl s LYS 96 CO -0.07 -0.05 -0.14 0.08 0.10 0.00 0.00 175.35 175.27 1xfl s VAL 97 N 0.36 2.73 -0.14 1.79 1.01 0.77 -4.96 120.40 121.95 1xfl s VAL 97 Ca -0.03 -0.75 -0.06 0.00 0.00 0.00 0.00 61.98 61.14 1xfl s VAL 97 Cb -0.05 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.14 1xfl s VAL 97 CO -0.01 0.51 0.07 0.54 0.00 0.00 0.00 175.10 176.21 1xfl s VAL 98 N 0.85 4.88 0.00 2.92 0.11 -1.26 -0.70 120.40 127.20 1xfl s VAL 98 Ca -0.04 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 1xfl s VAL 98 Cb -0.15 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.56 1xfl s VAL 98 CO -0.00 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1xfl n GLY 99 N 2.77 -0.78 3.55 6.54 0.00 0.53 -4.90 105.19 112.90 1xfl n GLY 99 Ca -0.18 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.53 3.19 -0.20 4.61 0.00 -1.26 -4.87 121.76 122.70 1xfl s ALA 100 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1xfl s ALA 100 Cb 0.00 -3.70 0.05 0.00 0.00 0.00 0.00 23.12 19.47 1xfl s ALA 100 CO 0.00 -2.21 -0.06 0.21 0.00 0.00 0.00 175.76 173.70 1xfl s LYS 101 N 3.90 1.56 0.17 0.00 2.20 -1.26 -5.03 119.74 121.28 1xfl s LYS 101 Ca 0.35 -0.75 -0.17 0.00 -0.36 0.00 0.00 55.97 55.04 1xfl s LYS 101 Cb -0.11 -2.32 0.12 0.00 -1.51 0.00 0.00 37.83 34.01 1xfl s LYS 101 CO 0.24 -0.51 1.66 -0.22 -0.36 0.00 0.00 175.35 176.15 1xfl h LYS 102 N 8.04 -0.01 -0.53 4.03 3.64 -1.99 0.92 116.57 130.67 1xfl h LYS 102 Ca -0.22 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 1xfl h LYS 102 Cb 1.09 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 1xfl h LYS 102 CO 0.42 -0.01 0.30 0.22 -2.27 0.00 0.00 179.45 178.11 1xfl h ASP 103 N -0.01 0.65 -0.61 4.20 3.58 -1.98 0.47 116.42 122.72 1xfl h ASP 103 Ca 0.21 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.51 1xfl h ASP 103 Cb 0.34 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1xfl h ASP 103 CO -0.46 0.54 0.06 -0.08 -2.88 0.00 0.00 179.24 176.42 1xfl h GLU 104 N 0.71 1.03 -0.10 0.28 4.57 -1.83 0.99 114.58 120.23 1xfl h GLU 104 Ca 0.19 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1xfl h GLU 104 Cb 0.02 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 1xfl h GLU 104 CO -0.03 0.98 0.05 1.25 -1.18 0.00 0.00 179.01 180.08 1xfl h LEU 105 N 0.93 0.13 -1.49 1.64 5.85 -0.47 0.26 115.31 122.16 1xfl h LEU 105 Ca 0.18 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1xfl h LEU 105 Cb 0.48 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1xfl h LEU 105 CO 0.02 0.19 0.38 1.56 -0.34 0.00 0.00 178.44 180.26 1xfl h GLN 106 N 0.05 0.64 -0.14 1.25 1.08 -0.62 0.14 115.11 117.51 1xfl h GLN 106 Ca 0.04 -0.04 -0.13 0.00 -1.45 0.00 0.00 58.65 57.06 1xfl h GLN 106 Cb 0.10 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 1xfl h GLN 106 CO -0.01 0.42 -0.49 0.77 -0.95 0.00 0.00 178.83 178.57 1xfl h SER 107 N 0.66 0.41 -0.06 1.46 0.02 -0.05 0.04 113.55 116.03 1xfl h SER 107 Ca 0.24 -0.20 -0.18 0.00 -0.84 0.00 0.00 61.79 60.80 1xfl h SER 107 Cb 0.12 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.54 1xfl h SER 107 CO -0.06 0.84 -0.61 0.74 -1.14 0.00 0.00 176.83 176.59 1xfl h THR 108 N 0.30 1.31 0.08 -2.27 2.02 0.07 0.14 112.91 114.56 1xfl h THR 108 Ca 0.01 -1.86 -0.00 0.00 0.77 0.00 0.00 66.41 65.33 1xfl h THR 108 Cb 0.98 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 1xfl h THR 108 CO 0.08 0.58 -0.04 0.40 0.37 0.00 0.00 175.52 176.92 1xfl h ILE 109 N 0.49 0.93 -0.08 3.11 1.08 -0.37 -2.16 117.51 120.51 1xfl h ILE 109 Ca -0.01 -0.04 -0.05 0.00 -0.39 0.00 0.00 64.86 64.38 1xfl h ILE 109 Cb 1.19 0.96 -0.01 0.00 -3.07 0.00 0.00 36.82 35.89 1xfl h ILE 109 CO 0.12 0.01 -0.16 0.00 -0.69 0.00 0.00 178.15 177.43 1xfl h ALA 110 N 0.79 1.58 -0.56 1.87 0.00 -0.91 0.22 119.26 122.26 1xfl h ALA 110 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1xfl h ALA 110 Cb 0.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1xfl h ALA 110 CO 0.02 0.31 0.32 -0.22 0.00 0.00 0.00 179.25 179.67 1xfl h LYS 111 N 0.12 0.60 0.17 0.00 3.64 -0.55 -2.99 116.57 117.55 1xfl h LYS 111 Ca 0.02 -0.04 -0.31 0.00 -1.27 0.00 0.00 60.65 59.06 1xfl h LYS 111 Cb 0.36 -0.13 0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1xfl h LYS 111 CO 0.02 0.39 -1.32 0.45 -2.27 0.00 0.00 179.45 176.72 1xfl h HIS 112 N 0.61 0.95 -2.35 1.91 3.86 -0.71 -3.41 115.15 116.01 1xfl h HIS 112 Ca 0.24 -0.64 -0.62 0.00 -1.16 0.00 0.00 60.37 58.19 1xfl h HIS 112 Cb 0.08 -0.06 -0.13 0.00 1.06 0.00 0.00 27.41 28.36 1xfl h HIS 112 CO -0.08 1.48 0.83 -0.51 0.86 0.00 0.00 177.93 180.51 1xfl s LEU 113 N -7.70 4.15 0.00 2.43 2.01 0.71 -5.11 118.68 115.16 1xfl s LEU 113 Ca -0.09 -1.14 0.25 0.00 0.01 0.00 0.00 54.13 53.16 1xfl s LEU 113 Cb 0.05 -2.46 0.37 0.00 0.01 0.00 0.00 46.19 44.15 1xfl s LEU 113 CO 0.93 -1.46 1.36 0.00 1.01 0.00 0.00 176.35 178.19