#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 2.40 -0.16 -5.12 0.00 -1.26 -4.79 121.76 112.82 1xfl s ALA 2 Ca 0.00 -2.05 -0.31 0.00 0.00 0.00 0.00 51.96 49.60 1xfl s ALA 2 Cb 0.00 -4.55 0.14 0.00 0.00 0.00 0.00 23.12 18.71 1xfl s ALA 2 CO 0.00 -4.00 1.08 0.45 0.00 0.00 0.00 175.76 173.28 1xfl s SER 3 N 5.91 -0.27 0.03 0.00 0.15 -1.26 -5.06 113.70 113.21 1xfl s SER 3 Ca 0.54 0.20 -0.17 0.00 0.70 0.00 0.00 55.95 57.21 1xfl s SER 3 Cb -0.02 0.24 -0.25 0.00 -1.71 0.00 0.00 66.02 64.28 1xfl s SER 3 CO -0.06 -0.32 1.10 1.05 1.20 0.00 0.00 173.24 176.22 1xfl h GLU 4 N 2.27 0.52 0.00 5.44 4.11 -1.99 -3.50 114.58 121.44 1xfl h GLU 4 Ca -0.15 -0.61 0.13 0.00 0.07 0.00 0.00 59.36 58.80 1xfl h GLU 4 Cb 1.18 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 1xfl h GLU 4 CO 0.28 1.23 -0.17 0.39 0.07 0.00 0.00 179.01 180.81 1xfl n GLU 5 N -4.03 -0.97 -0.34 1.06 -0.58 -1.26 -4.94 120.64 109.58 1xfl n GLU 5 Ca -0.12 0.64 0.00 0.00 -0.42 0.00 0.00 57.16 57.27 1xfl n GLU 5 Cb 0.80 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 1xfl n GLU 5 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xfl n GLY 6 N -1.47 0.83 3.71 0.62 0.00 -1.13 -4.78 105.19 102.98 1xfl n GLY 6 Ca 0.00 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.66 4.22 -0.04 1.61 1.03 -1.26 -4.70 119.66 119.85 1xfl s GLN 7 Ca 0.00 0.03 0.06 0.00 0.04 0.00 0.00 55.36 55.49 1xfl s GLN 7 Cb 0.00 -3.46 -0.02 0.00 0.03 0.00 0.00 33.01 29.57 1xfl s GLN 7 CO 0.00 0.18 -0.22 0.08 -2.54 0.00 0.00 175.29 172.79 1xfl s VAL 8 N 0.66 2.35 -0.41 3.63 1.01 -1.26 -4.56 120.40 121.82 1xfl s VAL 8 Ca 0.15 -0.98 -0.25 0.00 0.00 0.00 0.00 61.98 60.90 1xfl s VAL 8 Cb -0.13 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.41 1xfl s VAL 8 CO 0.04 0.58 0.90 -0.63 0.00 0.00 0.00 175.10 175.98 1xfl s ILE 9 N -0.46 4.56 -0.39 2.22 -1.09 0.40 -4.85 121.20 121.59 1xfl s ILE 9 Ca 0.05 0.91 -0.21 0.00 -2.23 0.00 0.00 60.65 59.17 1xfl s ILE 9 Cb -0.12 -4.36 0.01 0.00 -1.58 0.00 0.00 42.46 36.41 1xfl s ILE 9 CO 0.01 -0.67 0.65 0.00 -1.23 0.00 0.00 174.94 173.71 1xfl s ALA 10 N 3.54 3.41 -0.39 9.38 0.00 -1.26 -0.19 121.76 136.25 1xfl s ALA 10 Ca 0.36 -0.95 -0.19 0.00 0.00 0.00 0.00 51.96 51.18 1xfl s ALA 10 Cb -0.11 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 19.78 1xfl s ALA 10 CO 0.22 -1.51 0.55 0.00 0.00 0.00 0.00 175.76 175.02 1xfl n HIS 12 N 5.90 0.00 -3.85 0.00 8.25 -1.26 -4.43 115.22 119.83 1xfl n HIS 12 Ca -0.04 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.33 1xfl n HIS 12 Cb 0.48 -0.01 -0.07 0.00 1.12 0.00 0.00 29.99 31.51 1xfl n HIS 12 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1xfl s THR 13 N -2.10 0.11 0.07 1.59 2.01 -1.26 -4.92 115.64 111.13 1xfl s THR 13 Ca 0.30 -1.14 0.25 0.00 0.31 0.00 0.00 61.69 61.41 1xfl s THR 13 Cb 0.20 -1.45 0.27 0.00 0.01 0.00 0.00 72.50 71.52 1xfl s THR 13 CO 0.36 -0.50 1.82 1.62 -0.69 0.00 0.00 174.62 177.23 1xfl h VAL 14 N 2.63 0.41 0.25 3.82 3.04 -1.99 -2.80 116.25 121.61 1xfl h VAL 14 Ca -0.33 -1.04 -0.01 0.00 -1.01 0.00 0.00 66.70 64.30 1xfl h VAL 14 Cb 1.22 1.77 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1xfl h VAL 14 CO 0.52 0.17 -0.12 -0.08 -1.01 0.00 0.00 177.57 177.05 1xfl h GLU 15 N 0.00 -0.33 -0.52 4.17 4.22 -1.99 0.15 114.58 120.28 1xfl h GLU 15 Ca -0.00 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.39 1xfl h GLU 15 Cb 0.75 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 1xfl h GLU 15 CO 0.02 -0.14 0.03 1.15 -2.18 0.00 0.00 179.01 177.90 1xfl h THR 16 N -0.45 1.24 0.53 0.32 2.02 -1.95 -1.94 112.91 112.68 1xfl h THR 16 Ca -0.03 -0.99 -0.03 0.00 0.77 0.00 0.00 66.41 66.13 1xfl h THR 16 Cb 0.34 0.81 0.01 0.00 -1.74 0.00 0.00 68.15 67.57 1xfl h THR 16 CO 0.06 0.36 -0.26 -0.25 0.37 0.00 0.00 175.52 175.80 1xfl h TRP 17 N 0.80 -0.66 -0.21 3.16 -0.00 -1.22 -2.94 115.95 114.88 1xfl h TRP 17 Ca 0.16 -0.02 -0.18 0.00 -0.00 0.00 0.00 58.89 58.85 1xfl h TRP 17 Cb 0.43 0.22 0.00 0.00 -0.00 0.00 0.00 29.16 29.82 1xfl h TRP 17 CO 0.02 -0.39 -0.57 -0.97 -0.00 0.00 0.00 178.44 176.54 1xfl h ASN 18 N -0.78 0.86 -0.28 2.65 -1.24 -0.64 -2.86 115.58 113.30 1xfl h ASN 18 Ca -0.07 -0.58 0.03 0.00 0.71 0.00 0.00 56.30 56.39 1xfl h ASN 18 Cb 0.58 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 39.35 1xfl h ASN 18 CO 0.12 1.28 0.12 -0.08 -1.29 0.00 0.00 177.43 177.58 1xfl h GLU 19 N 0.48 0.25 -0.15 6.67 4.57 -1.43 -0.76 114.58 124.21 1xfl h GLU 19 Ca -0.01 -0.01 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 1xfl h GLU 19 Cb 1.19 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 1xfl h GLU 19 CO 0.12 0.16 -0.30 1.96 -1.18 0.00 0.00 179.01 179.78 1xfl h GLN 20 N 0.26 0.28 -0.15 1.92 7.50 -1.56 -1.21 115.11 122.15 1xfl h GLN 20 Ca 0.12 -0.11 -0.03 0.00 0.50 0.00 0.00 58.65 59.14 1xfl h GLN 20 Cb 0.07 -0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.58 1xfl h GLN 20 CO -0.11 0.56 -0.03 -0.07 -1.50 0.00 0.00 178.83 177.68 1xfl h LEU 21 N 0.25 0.29 -0.89 1.46 3.38 -1.16 0.19 115.31 118.83 1xfl h LEU 21 Ca 0.04 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 57.68 1xfl h LEU 21 Cb 0.65 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.27 1xfl h LEU 21 CO 0.05 0.58 0.58 1.56 0.09 0.00 0.00 178.44 181.29 1xfl h GLN 22 N -0.01 1.10 -0.41 1.13 4.20 -1.02 0.13 115.11 120.23 1xfl h GLN 22 Ca 0.04 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1xfl h GLN 22 Cb 0.44 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1xfl h GLN 22 CO 0.01 0.73 0.16 -0.22 -0.67 0.00 0.00 178.83 178.85 1xfl h LYS 23 N 1.13 0.61 -0.28 1.46 3.11 -1.03 0.86 116.57 122.43 1xfl h LYS 23 Ca 0.35 -0.11 -0.10 0.00 -2.81 0.00 0.00 60.65 57.97 1xfl h LYS 23 Cb -0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.09 1xfl h LYS 23 CO -0.11 0.57 -0.26 0.00 -2.81 0.00 0.00 179.45 176.85 1xfl h ALA 24 N 1.01 1.02 0.19 5.00 0.00 0.13 0.57 119.26 127.19 1xfl h ALA 24 Ca 0.14 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xfl h ALA 24 Cb 0.19 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xfl h ALA 24 CO -0.01 0.59 -0.09 -0.97 0.00 0.00 0.00 179.25 178.76 1xfl h ASN 25 N 0.49 -0.21 -0.51 0.00 -0.73 -0.59 0.26 115.58 114.29 1xfl h ASN 25 Ca 0.07 -0.31 -0.04 0.00 1.87 0.00 0.00 56.30 57.88 1xfl h ASN 25 Cb 0.71 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.33 1xfl h ASN 25 CO 0.05 0.27 0.16 -0.08 -0.37 0.00 0.00 177.43 177.47 1xfl h GLU 26 N -0.79 0.78 -0.19 6.67 4.81 -0.80 -2.14 114.58 122.92 1xfl h GLU 26 Ca -0.03 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1xfl h GLU 26 Cb 0.52 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1xfl h GLU 26 CO 0.04 0.72 0.00 0.43 -0.73 0.00 0.00 179.01 179.48 1xfl n SER 27 N -4.50 1.23 -3.77 1.04 7.64 0.19 -4.91 113.62 110.54 1xfl n SER 27 Ca 0.02 -1.85 -0.24 0.00 1.01 0.00 0.00 58.87 57.80 1xfl n SER 27 Cb 0.19 -0.13 0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.12 -3.59 -4.03 1.43 5.02 -0.81 -4.97 118.16 111.34 1xfl n LYS 28 Ca 0.11 0.52 -0.34 0.00 -2.02 0.00 0.00 58.31 56.58 1xfl n LYS 28 Cb 0.22 -4.78 -0.06 0.00 -0.02 0.00 0.00 35.03 30.39 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 -3.73 5.05 -0.14 -0.18 2.01 0.87 -4.70 115.64 114.82 1xfl s THR 29 Ca 0.10 -0.17 -0.27 0.00 0.31 0.00 0.00 61.69 61.66 1xfl s THR 29 Cb -0.03 -3.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 1xfl s THR 29 CO 0.85 0.44 0.90 -0.22 -0.69 0.00 0.00 174.62 175.90 1xfl s LEU 30 N -1.50 4.21 0.00 4.42 0.20 -1.26 -1.65 118.68 123.10 1xfl s LEU 30 Ca 0.21 1.32 0.05 0.00 0.69 0.00 0.00 54.13 56.40 1xfl s LEU 30 Cb -0.12 -3.36 -0.02 0.00 -0.43 0.00 0.00 46.19 42.26 1xfl s LEU 30 CO 0.11 -0.41 -0.17 0.54 -0.29 0.00 0.00 176.35 176.14 1xfl s VAL 31 N 2.04 1.31 -0.10 1.68 0.11 -0.77 -0.15 120.40 124.52 1xfl s VAL 31 Ca 0.42 -0.81 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1xfl s VAL 31 Cb -0.17 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.57 1xfl s VAL 31 CO 0.15 0.29 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.34 1xfl s VAL 32 N -0.50 1.66 -0.12 2.04 1.01 0.88 -1.44 120.40 123.93 1xfl s VAL 32 Ca 0.06 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 1xfl s VAL 32 Cb -0.07 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1xfl s VAL 32 CO -0.00 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.77 1xfl s VAL 33 N 0.72 3.21 -0.41 2.92 1.01 0.17 -1.17 120.40 126.84 1xfl s VAL 33 Ca -0.12 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.12 1xfl s VAL 33 Cb -0.16 -2.34 0.04 0.00 0.00 0.00 0.00 36.38 33.92 1xfl s VAL 33 CO 0.02 0.53 0.28 -0.62 0.00 0.00 0.00 175.10 175.32 1xfl s ASP 34 N 0.14 5.91 -0.31 3.32 2.15 0.88 -0.39 116.67 128.38 1xfl s ASP 34 Ca -0.06 -1.12 -0.18 0.00 0.43 0.00 0.00 52.55 51.62 1xfl s ASP 34 Cb -0.15 -2.09 -0.01 0.00 -0.30 0.00 0.00 42.92 40.37 1xfl s ASP 34 CO 0.04 -0.48 0.53 -0.36 -0.17 0.00 0.00 175.17 174.73 1xfl s PHE 35 N 1.59 3.22 0.30 -5.34 0.08 0.60 -0.37 117.98 118.05 1xfl s PHE 35 Ca 0.03 0.43 0.04 0.00 0.12 0.00 0.00 56.93 57.56 1xfl s PHE 35 Cb -0.21 -2.86 -0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1xfl s PHE 35 CO 0.07 -0.42 0.27 -0.08 -0.10 0.00 0.00 175.22 174.95 1xfl s THR 36 N 2.40 0.00 -0.04 0.64 -1.32 0.29 -0.04 115.64 117.57 1xfl s THR 36 Ca 0.21 -1.96 0.01 0.00 -1.21 0.00 0.00 61.69 58.74 1xfl s THR 36 Cb -0.15 -2.51 0.02 0.00 -1.51 0.00 0.00 72.50 68.35 1xfl s THR 36 CO 0.11 0.00 -0.06 0.00 -2.21 0.00 0.00 174.62 172.47 1xfl s ALA 37 N -3.57 0.74 0.62 11.08 0.00 -1.26 -0.01 121.76 129.36 1xfl s ALA 37 Ca 0.39 -0.11 0.33 0.00 0.00 0.00 0.00 51.96 52.58 1xfl s ALA 37 Cb 0.03 -0.42 1.87 0.00 0.00 0.00 0.00 23.12 24.60 1xfl s ALA 37 CO 0.24 0.02 2.16 0.77 0.00 0.00 0.00 175.76 178.95 1xfl h SER 38 N 7.07 0.00 0.03 0.00 0.02 -1.96 -2.07 113.55 116.65 1xfl h SER 38 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 1xfl h SER 38 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1xfl h SER 38 CO 0.48 0.00 -0.25 -2.67 -1.14 0.00 0.00 176.83 173.25 1xfl n TRP 39 N -3.50 0.00 -3.38 3.45 4.27 -1.26 -4.92 117.44 112.09 1xfl n TRP 39 Ca -0.01 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 1xfl n TRP 39 Cb 0.23 -0.02 -0.07 0.00 -1.36 0.00 0.00 31.31 30.09 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 7.07 -1.20 0.72 0.00 0.00 -1.91 -1.32 103.07 106.42 1xfl h GLY 41 Ca -0.39 0.53 0.18 0.00 0.00 0.00 0.00 47.33 47.65 1xfl h GLY 41 CO 0.74 -0.38 0.46 -0.56 0.00 0.00 0.00 176.54 176.81 1xfl h PRO 42 N -0.95 0.07 -0.24 4.80 0.13 -1.95 0.11 132.00 133.97 1xfl h PRO 42 Ca -0.07 -0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.87 1xfl h PRO 42 Cb 0.79 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1xfl h PRO 42 CO 0.01 0.04 -0.60 0.00 -0.23 0.00 0.00 178.00 177.22 1xfl h ARG 44 N 0.59 0.58 -0.07 0.00 2.43 0.16 -2.45 114.38 115.62 1xfl h ARG 44 Ca -0.00 -0.46 -0.12 0.00 -0.81 0.00 0.00 59.98 58.59 1xfl h ARG 44 Cb 1.20 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1xfl h ARG 44 CO 0.13 1.08 -0.48 0.35 -1.51 0.00 0.00 179.97 179.54 1xfl h PHE 45 N 0.40 0.22 0.00 2.20 3.57 -0.80 -2.91 116.94 119.62 1xfl h PHE 45 Ca -0.03 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.40 1xfl h PHE 45 Cb 1.32 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 40.02 1xfl h PHE 45 CO 0.06 0.63 -0.43 1.51 -2.23 0.00 0.00 178.31 177.86 1xfl n ILE 46 N -3.96 0.09 0.03 1.41 0.13 -0.48 -4.24 119.36 112.33 1xfl n ILE 46 Ca -0.02 -0.07 -0.11 0.00 -1.10 0.00 0.00 62.75 61.46 1xfl n ILE 46 Cb 0.52 0.01 -0.05 0.00 -0.84 0.00 0.00 39.64 39.29 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 2.88 -0.02 0.00 1.51 0.00 -1.23 0.38 119.26 122.79 1xfl h ALA 47 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xfl h ALA 47 Cb 0.56 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1xfl h ALA 47 CO 0.00 -0.54 -0.02 -1.35 0.00 0.00 0.00 179.25 177.34 1xfl h PRO 48 N -0.09 0.00 0.12 0.00 0.11 -1.75 -0.96 132.00 129.42 1xfl h PRO 48 Ca 0.04 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 66.00 1xfl h PRO 48 Cb 0.15 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.27 1xfl h PRO 48 CO -0.10 0.02 -0.68 0.35 -0.21 0.00 0.00 178.00 177.38 1xfl h PHE 49 N 0.00 0.46 -0.30 0.65 3.57 -1.59 -2.67 116.94 117.05 1xfl h PHE 49 Ca -0.00 -0.33 -0.05 0.00 3.53 0.00 0.00 57.97 61.12 1xfl h PHE 49 Cb 0.25 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1xfl h PHE 49 CO 0.00 1.26 -0.03 0.35 -2.23 0.00 0.00 178.31 177.66 1xfl h PHE 50 N -0.47 0.48 -0.09 0.41 3.57 -0.43 -0.80 116.94 119.61 1xfl h PHE 50 Ca -0.12 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 1xfl h PHE 50 Cb 1.53 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 40.12 1xfl h PHE 50 CO 0.21 0.50 -0.31 0.00 -2.23 0.00 0.00 178.31 176.48 1xfl h ALA 51 N 1.53 1.32 -0.17 2.41 0.00 -1.25 -0.80 119.26 122.29 1xfl h ALA 51 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1xfl h ALA 51 Cb 0.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1xfl h ALA 51 CO 0.01 0.47 -0.01 0.22 0.00 0.00 0.00 179.25 179.95 1xfl h ASP 52 N 0.15 0.31 -0.56 0.00 3.58 -0.82 -1.01 116.42 118.07 1xfl h ASP 52 Ca 0.02 -0.33 0.09 0.00 0.42 0.00 0.00 57.03 57.23 1xfl h ASP 52 Cb 0.63 -0.08 -0.07 0.00 1.72 0.00 0.00 39.33 41.52 1xfl h ASP 52 CO 0.05 0.56 0.18 -0.07 -2.88 0.00 0.00 179.24 177.08 1xfl h LEU 53 N 0.05 0.15 -1.41 2.28 4.07 -1.06 0.11 115.31 119.50 1xfl h LEU 53 Ca 0.05 0.08 -0.04 0.00 0.08 0.00 0.00 57.88 58.05 1xfl h LEU 53 Cb 0.41 0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.21 1xfl h LEU 53 CO 0.01 0.10 -0.03 0.00 -1.08 0.00 0.00 178.44 177.44 1xfl h ALA 54 N 1.39 1.52 0.09 1.53 0.00 -0.79 0.23 119.26 123.24 1xfl h ALA 54 Ca 0.28 -0.17 -0.26 0.00 0.00 0.00 0.00 54.91 54.76 1xfl h ALA 54 Cb 0.34 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1xfl h ALA 54 CO -0.30 0.34 -1.18 -0.22 0.00 0.00 0.00 179.25 177.89 1xfl h LYS 55 N 0.33 0.20 0.16 0.00 3.64 -0.43 -2.98 116.57 117.49 1xfl h LYS 55 Ca 0.07 -0.33 -0.32 0.00 -1.27 0.00 0.00 60.65 58.80 1xfl h LYS 55 Cb 0.28 0.12 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1xfl h LYS 55 CO 0.01 1.16 -1.51 -0.22 -2.27 0.00 0.00 179.45 176.62 1xfl h LYS 56 N 0.05 0.35 -4.10 1.90 3.11 -0.44 -3.42 116.57 114.02 1xfl h LYS 56 Ca -0.10 -0.59 -0.76 0.00 -2.81 0.00 0.00 60.65 56.39 1xfl h LYS 56 Cb 1.92 0.22 -0.25 0.00 -1.00 0.00 0.00 32.23 33.11 1xfl h LYS 56 CO 0.18 1.25 -0.23 -0.51 -2.81 0.00 0.00 179.45 177.33 1xfl s LEU 57 N -7.20 6.13 0.17 5.20 1.02 0.78 -4.87 118.68 119.91 1xfl s LEU 57 Ca -0.09 -1.91 0.24 0.00 0.02 0.00 0.00 54.13 52.39 1xfl s LEU 57 Cb 0.06 -2.17 0.24 0.00 0.02 0.00 0.00 46.19 44.34 1xfl s LEU 57 CO 0.88 -0.80 1.26 1.55 0.02 0.00 0.00 176.35 179.26 1xfl h PRO 58 N 8.69 0.00 0.00 1.29 0.13 -1.80 -3.30 132.00 137.00 1xfl h PRO 58 Ca -0.24 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.83 1xfl h PRO 58 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1xfl h PRO 58 CO 0.98 0.00 -0.27 -0.97 -0.23 0.00 0.00 178.00 177.50 1xfl h ASN 59 N 0.00 0.00 -2.98 1.44 -1.24 -1.94 -3.44 115.58 107.42 1xfl h ASN 59 Ca 0.00 0.00 -0.64 0.00 0.71 0.00 0.00 56.30 56.37 1xfl h ASN 59 Cb 0.85 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 39.80 1xfl h ASN 59 CO 0.00 0.27 -0.49 -0.69 -1.29 0.00 0.00 177.43 175.22 1xfl s VAL 60 N -3.08 5.38 -0.10 2.57 1.01 -1.24 -4.23 120.40 120.72 1xfl s VAL 60 Ca 0.05 0.17 -0.12 0.00 0.00 0.00 0.00 61.98 62.09 1xfl s VAL 60 Cb 0.06 -3.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1xfl s VAL 60 CO 0.71 0.53 0.28 -0.22 0.00 0.00 0.00 175.10 176.40 1xfl s LEU 61 N -0.32 4.36 0.03 3.92 0.20 0.78 -4.94 118.68 122.72 1xfl s LEU 61 Ca 0.11 0.64 0.08 0.00 0.69 0.00 0.00 54.13 55.65 1xfl s LEU 61 Cb -0.12 -2.35 -0.02 0.00 -0.43 0.00 0.00 46.19 43.27 1xfl s LEU 61 CO 0.01 0.27 -0.23 -0.36 -0.29 0.00 0.00 176.35 175.75 1xfl s PHE 62 N -0.50 2.06 0.12 5.38 0.40 -1.26 -0.08 117.98 124.10 1xfl s PHE 62 Ca 0.18 -0.39 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1xfl s PHE 62 Cb -0.14 -1.26 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 1xfl s PHE 62 CO 0.07 0.07 -0.17 -0.51 0.70 0.00 0.00 175.22 175.38 1xfl s LEU 63 N -1.02 2.37 -0.08 -0.37 1.02 -0.32 -0.45 118.68 119.83 1xfl s LEU 63 Ca 0.09 -0.77 -0.00 0.00 0.02 0.00 0.00 54.13 53.48 1xfl s LEU 63 Cb -0.09 -0.72 0.02 0.00 0.02 0.00 0.00 46.19 45.42 1xfl s LEU 63 CO 0.01 -0.05 -0.05 -0.75 0.02 0.00 0.00 176.35 175.53 1xfl s LYS 64 N -2.37 1.15 -0.12 1.70 2.20 0.73 -0.08 119.74 122.95 1xfl s LYS 64 Ca 0.09 -0.14 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 1xfl s LYS 64 Cb -0.07 -1.24 0.03 0.00 -1.51 0.00 0.00 37.83 35.04 1xfl s LYS 64 CO 0.04 -0.20 -0.05 0.08 -0.36 0.00 0.00 175.35 174.86 1xfl s VAL 65 N 1.47 0.90 -0.49 4.02 1.01 0.50 -1.41 120.40 126.40 1xfl s VAL 65 Ca -0.01 -0.27 -0.29 0.00 0.00 0.00 0.00 61.98 61.41 1xfl s VAL 65 Cb -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.28 1xfl s VAL 65 CO -0.04 0.29 1.31 -0.62 0.00 0.00 0.00 175.10 176.04 1xfl s ASP 66 N 1.75 6.38 0.29 3.32 2.15 -1.25 -0.55 116.67 128.75 1xfl s ASP 66 Ca 0.04 0.48 0.25 0.00 0.43 0.00 0.00 52.55 53.76 1xfl s ASP 66 Cb -0.13 -2.55 0.97 0.00 -0.30 0.00 0.00 42.92 40.92 1xfl s ASP 66 CO -0.08 -1.47 1.76 0.71 -0.17 0.00 0.00 175.17 175.92 1xfl h THR 67 N 6.34 0.00 -0.09 1.71 1.35 -0.66 0.68 112.91 122.24 1xfl h THR 67 Ca -0.26 -0.34 -0.16 0.00 -0.55 0.00 0.00 66.41 65.10 1xfl h THR 67 Cb 1.08 1.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 1xfl h THR 67 CO 1.14 0.00 -0.64 -0.78 -0.25 0.00 0.00 175.52 174.99 1xfl h ASP 68 N 0.00 0.37 0.02 5.36 3.58 -1.90 -2.92 116.42 120.93 1xfl h ASP 68 Ca 0.00 -0.22 -0.00 0.00 0.42 0.00 0.00 57.03 57.23 1xfl h ASP 68 Cb 0.48 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1xfl h ASP 68 CO 0.00 0.91 -0.01 -0.08 -2.88 0.00 0.00 179.24 177.18 1xfl h GLU 69 N 0.23 -0.03 -4.48 0.28 4.57 -1.73 -3.39 114.58 110.03 1xfl h GLU 69 Ca -0.01 0.00 -0.71 0.00 -1.18 0.00 0.00 59.36 57.46 1xfl h GLU 69 Cb 1.17 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.69 1xfl h GLU 69 CO 0.10 -0.02 2.61 1.28 -1.18 0.00 0.00 179.01 181.81 1xfl n LEU 70 N -2.82 6.21 0.04 1.64 7.99 0.16 -4.72 117.00 125.51 1xfl n LEU 70 Ca -0.00 -4.17 -0.05 0.00 -0.01 0.00 0.00 56.01 51.77 1xfl n LEU 70 Cb 0.01 -1.66 0.15 0.00 -0.11 0.00 0.00 43.42 41.81 1xfl n LEU 70 CO 0.01 0.87 0.59 0.11 -1.51 0.00 0.00 177.39 177.45 1xfl h LYS 71 N 6.46 0.41 -0.44 3.23 1.57 -1.72 -1.77 116.57 124.31 1xfl h LYS 71 Ca 0.50 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.99 1xfl h LYS 71 Cb 0.72 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.02 1xfl h LYS 71 CO 1.69 0.77 -0.02 1.03 -0.57 0.00 0.00 179.45 182.36 1xfl h SER 72 N 0.33 0.77 -0.72 0.86 0.87 -1.87 -1.61 113.55 112.19 1xfl h SER 72 Ca 0.02 -0.32 -0.04 0.00 -1.23 0.00 0.00 61.79 60.23 1xfl h SER 72 Cb 0.91 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 1xfl h SER 72 CO 0.08 0.91 0.30 0.58 -0.53 0.00 0.00 176.83 178.16 1xfl h VAL 73 N 0.62 1.25 -0.62 2.23 2.07 -1.92 0.13 116.25 120.02 1xfl h VAL 73 Ca 0.12 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.89 1xfl h VAL 73 Cb 0.52 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1xfl h VAL 73 CO 0.03 0.31 0.39 0.00 0.02 0.00 0.00 177.57 178.32 1xfl h ALA 74 N 1.26 0.80 -0.01 1.67 0.00 -0.91 -0.17 119.26 121.90 1xfl h ALA 74 Ca 0.25 -0.03 -0.23 0.00 0.00 0.00 0.00 54.91 54.90 1xfl h ALA 74 Cb 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.78 1xfl h ALA 74 CO -0.02 0.16 -0.95 1.03 0.00 0.00 0.00 179.25 179.47 1xfl h SER 75 N 0.79 0.64 -0.46 0.00 0.87 -0.94 0.51 113.55 114.97 1xfl h SER 75 Ca 0.24 -0.50 -0.04 0.00 -1.23 0.00 0.00 61.79 60.26 1xfl h SER 75 Cb -0.02 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.72 1xfl h SER 75 CO -0.08 1.30 0.16 -0.78 -0.53 0.00 0.00 176.83 176.89 1xfl h ASP 76 N 0.29 0.70 -0.02 6.23 3.58 -0.27 -2.33 116.42 124.60 1xfl h ASP 76 Ca -0.09 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.26 1xfl h ASP 76 Cb 1.59 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1xfl h ASP 76 CO 0.17 0.67 -0.14 0.79 -2.88 0.00 0.00 179.24 177.85 1xfl n TRP 77 N -4.31 0.00 -2.69 0.28 7.02 -0.12 -5.01 117.44 112.61 1xfl n TRP 77 Ca 0.04 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.51 1xfl n TRP 77 Cb 0.19 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.09 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 0.89 -2.39 -3.93 6.99 0.00 -0.74 -5.03 120.51 116.30 1xfl n ALA 78 Ca 0.12 0.15 -0.30 0.00 0.00 0.00 0.00 53.44 53.40 1xfl n ALA 78 Cb 0.54 -1.45 -0.14 0.00 0.00 0.00 0.00 19.45 18.40 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 -2.88 2.12 -0.13 0.00 -1.09 0.17 -4.92 121.20 114.46 1xfl s ILE 79 Ca 0.03 -2.57 0.15 0.00 -2.23 0.00 0.00 60.65 56.03 1xfl s ILE 79 Cb -0.01 -2.53 -0.24 0.00 -1.58 0.00 0.00 42.46 38.10 1xfl s ILE 79 CO 0.58 -0.70 0.32 0.00 -1.23 0.00 0.00 174.94 173.91 1xfl n GLN 80 N 3.89 0.67 -4.11 2.79 3.00 -1.26 -4.67 117.38 117.68 1xfl n GLN 80 Ca 0.04 0.13 -0.33 0.00 -0.01 0.00 0.00 57.00 56.83 1xfl n GLN 80 Cb 0.38 -1.64 -0.16 0.00 0.00 0.00 0.00 30.24 28.82 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 -2.54 2.35 0.10 -1.58 0.00 -1.26 -5.11 121.76 113.73 1xfl s ALA 81 Ca -0.09 -1.25 -0.09 0.00 0.00 0.00 0.00 51.96 50.54 1xfl s ALA 81 Cb 0.07 -1.21 -0.06 0.00 0.00 0.00 0.00 23.12 21.92 1xfl s ALA 81 CO 0.82 -0.39 0.41 -1.64 0.00 0.00 0.00 175.76 174.95 1xfl s MET 82 N 1.28 3.73 0.30 0.00 -1.94 -1.26 -4.02 119.30 117.39 1xfl s MET 82 Ca 0.04 0.12 -0.04 0.00 -1.71 0.00 0.00 55.69 54.11 1xfl s MET 82 Cb -0.13 -2.94 -0.05 0.00 2.01 0.00 0.00 34.83 33.72 1xfl s MET 82 CO -0.12 0.52 0.55 -1.25 -0.01 0.00 0.00 175.02 174.71 1xfl s PRO 83 N -2.15 3.61 -0.12 2.03 0.04 -1.26 -4.73 135.00 132.42 1xfl s PRO 83 Ca 0.36 -0.05 0.02 0.00 0.04 0.00 0.00 61.00 61.38 1xfl s PRO 83 Cb -0.13 -2.65 0.01 0.00 0.04 0.00 0.00 34.50 31.77 1xfl s PRO 83 CO 0.20 0.20 -0.19 0.99 0.04 0.00 0.00 177.00 178.24 1xfl s THR 84 N -2.12 1.78 -0.25 1.26 2.01 0.95 0.15 115.64 119.41 1xfl s THR 84 Ca 0.43 -0.82 -0.08 0.00 0.31 0.00 0.00 61.69 61.54 1xfl s THR 84 Cb -0.11 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1xfl s THR 84 CO 0.31 0.50 0.09 -0.36 -0.69 0.00 0.00 174.62 174.47 1xfl s PHE 85 N 0.84 3.12 -0.20 4.92 0.08 0.59 -0.29 117.98 127.03 1xfl s PHE 85 Ca -0.08 -0.29 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 1xfl s PHE 85 Cb -0.15 -2.25 -0.01 0.00 -0.57 0.00 0.00 43.02 40.04 1xfl s PHE 85 CO -0.00 -0.28 -0.07 1.41 -0.10 0.00 0.00 175.22 176.17 1xfl s MET 86 N 1.52 3.35 -0.29 0.44 -2.45 0.47 0.11 119.30 122.45 1xfl s MET 86 Ca 0.06 -0.65 -0.09 0.00 -1.25 0.00 0.00 55.69 53.76 1xfl s MET 86 Cb -0.15 -2.90 -0.02 0.00 1.25 0.00 0.00 34.83 33.02 1xfl s MET 86 CO 0.05 -0.11 0.14 -0.06 1.05 0.00 0.00 175.02 176.08 1xfl s PHE 87 N 1.22 3.16 0.15 4.11 0.40 0.12 -0.66 117.98 126.48 1xfl s PHE 87 Ca 0.03 -0.48 0.04 0.00 -0.60 0.00 0.00 56.93 55.91 1xfl s PHE 87 Cb -0.14 -2.33 -0.04 0.00 0.51 0.00 0.00 43.02 41.01 1xfl s PHE 87 CO -0.03 -0.41 -0.10 -0.48 0.70 0.00 0.00 175.22 174.91 1xfl s LEU 88 N 1.62 2.51 -0.13 -0.37 2.34 -0.52 -1.28 118.68 122.86 1xfl s LEU 88 Ca 0.05 -1.02 -0.01 0.00 0.06 0.00 0.00 54.13 53.21 1xfl s LEU 88 Cb -0.16 -0.33 0.04 0.00 -0.56 0.00 0.00 46.19 45.17 1xfl s LEU 88 CO 0.06 -0.35 -0.02 -0.75 -1.06 0.00 0.00 176.35 174.23 1xfl s LYS 89 N -3.76 1.06 -1.53 1.48 2.20 0.21 -1.85 119.74 117.56 1xfl s LYS 89 Ca 0.17 -0.26 -0.05 0.00 -0.36 0.00 0.00 55.97 55.47 1xfl s LYS 89 Cb 0.03 -1.64 0.01 0.00 -1.51 0.00 0.00 37.83 34.72 1xfl s LYS 89 CO 0.01 -0.40 0.59 0.39 -0.36 0.00 0.00 175.35 175.57 1xfl n GLU 90 N 5.00 -4.70 -0.02 4.03 1.02 -0.66 -1.12 120.64 124.18 1xfl n GLU 90 Ca -0.10 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1xfl n GLU 90 Cb 0.49 -5.71 0.00 0.00 -0.02 0.00 0.00 31.44 26.20 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 -1.48 1.04 3.58 0.62 0.00 -1.25 -4.66 105.19 103.04 1xfl n GLY 91 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 3.79 0.10 1.61 2.47 -0.28 -4.99 119.74 121.80 1xfl s LYS 92 Ca 0.00 -0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 53.69 1xfl s LYS 92 Cb 0.00 -3.06 -0.06 0.00 -1.46 0.00 0.00 37.83 33.24 1xfl s LYS 92 CO 0.00 0.29 1.19 0.42 0.16 0.00 0.00 175.35 177.42 1xfl s ILE 93 N 0.27 3.89 -0.18 5.43 1.01 -1.26 0.67 121.20 131.03 1xfl s ILE 93 Ca 0.01 1.43 -0.17 0.00 0.00 0.00 0.00 60.65 61.92 1xfl s ILE 93 Cb -0.13 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.36 1xfl s ILE 93 CO 0.01 0.15 -0.34 0.18 0.00 0.00 0.00 174.94 174.95 1xfl n LEU 94 N 3.44 1.91 -3.58 2.97 4.77 -0.40 -4.87 117.00 121.25 1xfl n LEU 94 Ca 0.07 0.32 -0.12 0.00 -0.03 0.00 0.00 56.01 56.26 1xfl n LEU 94 Cb 0.46 -0.73 -0.04 0.00 -2.33 0.00 0.00 43.42 40.77 1xfl n LEU 94 CO 0.55 -0.20 0.23 1.51 -1.33 0.00 0.00 177.39 178.15 1xfl s ASP 95 N -6.06 -0.35 -0.01 -1.43 -4.77 -0.50 -5.04 116.67 98.52 1xfl s ASP 95 Ca -0.29 -0.13 -0.01 0.00 -3.30 0.00 0.00 52.55 48.82 1xfl s ASP 95 Cb 0.05 0.50 0.00 0.00 -1.09 0.00 0.00 42.92 42.38 1xfl s ASP 95 CO 0.42 -0.84 0.02 -1.59 0.70 0.00 0.00 175.17 173.88 1xfl s LYS 96 N -3.42 0.04 -0.19 2.11 0.00 -1.26 0.11 119.74 117.13 1xfl s LYS 96 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 55.97 55.95 1xfl s LYS 96 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 37.83 37.86 1xfl s LYS 96 CO -0.09 -0.01 -0.12 0.08 0.00 0.00 0.00 175.35 175.21 1xfl s VAL 97 N -0.08 2.73 -0.28 1.79 1.01 0.12 -4.97 120.40 120.72 1xfl s VAL 97 Ca -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.13 1xfl s VAL 97 Cb -0.01 -2.20 -0.05 0.00 0.00 0.00 0.00 36.38 34.13 1xfl s VAL 97 CO -0.00 0.49 0.23 0.54 0.00 0.00 0.00 175.10 176.36 1xfl s VAL 98 N 1.28 5.28 0.00 2.92 0.11 -1.26 -0.30 120.40 128.43 1xfl s VAL 98 Ca 0.03 0.26 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1xfl s VAL 98 Cb -0.14 -3.57 0.00 0.00 -1.53 0.00 0.00 36.38 31.14 1xfl s VAL 98 CO -0.07 0.23 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 1xfl n GLY 99 N 4.97 2.40 3.52 6.54 0.00 0.12 -4.92 105.19 117.82 1xfl n GLY 99 Ca -0.13 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.77 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 -1.70 3.27 -0.23 4.61 0.00 -1.26 -4.82 121.76 121.63 1xfl s ALA 100 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1xfl s ALA 100 Cb 0.00 -3.51 0.06 0.00 0.00 0.00 0.00 23.12 19.66 1xfl s ALA 100 CO 0.00 -2.06 -0.06 0.15 0.00 0.00 0.00 175.76 173.79 1xfl s LYS 101 N 3.33 1.65 0.03 0.00 1.02 -1.26 -5.02 119.74 119.49 1xfl s LYS 101 Ca 0.27 -0.96 -0.25 0.00 0.02 0.00 0.00 55.97 55.06 1xfl s LYS 101 Cb -0.14 -2.55 -0.18 0.00 -0.52 0.00 0.00 37.83 34.45 1xfl s LYS 101 CO 0.20 -0.58 1.48 -0.22 -0.92 0.00 0.00 175.35 175.31 1xfl h LYS 102 N 7.96 -0.01 -0.44 1.68 3.64 -1.98 0.86 116.57 128.29 1xfl h LYS 102 Ca -0.19 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.13 1xfl h LYS 102 Cb 1.08 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 1xfl h LYS 102 CO 0.42 0.26 0.03 0.22 -2.27 0.00 0.00 179.45 178.11 1xfl h ASP 103 N -0.27 0.72 0.20 4.20 3.58 -1.99 -0.26 116.42 122.60 1xfl h ASP 103 Ca -0.00 -0.29 -0.10 0.00 0.42 0.00 0.00 57.03 57.06 1xfl h ASP 103 Cb 0.27 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 1xfl h ASP 103 CO 0.00 0.83 -0.38 -0.08 -2.88 0.00 0.00 179.24 176.74 1xfl h GLU 104 N 0.59 0.25 -0.02 0.28 4.57 -1.98 -0.63 114.58 117.64 1xfl h GLU 104 Ca 0.13 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 1xfl h GLU 104 Cb 0.44 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1xfl h GLU 104 CO 0.02 0.60 0.00 1.25 -1.18 0.00 0.00 179.01 179.70 1xfl h LEU 105 N 0.22 0.03 -1.10 1.64 5.85 -0.48 -0.06 115.31 121.42 1xfl h LEU 105 Ca 0.02 -0.27 0.13 0.00 0.84 0.00 0.00 57.88 58.60 1xfl h LEU 105 Cb 0.77 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.71 1xfl h LEU 105 CO 0.06 0.29 0.61 1.56 -0.34 0.00 0.00 178.44 180.62 1xfl h GLN 106 N -0.23 0.87 -0.37 1.25 1.08 -0.76 0.29 115.11 117.24 1xfl h GLN 106 Ca 0.01 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.12 1xfl h GLN 106 Cb 0.27 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 1xfl h GLN 106 CO 0.00 0.57 0.09 1.03 -0.95 0.00 0.00 178.83 179.58 1xfl h SER 107 N 0.89 0.56 -0.53 1.46 0.87 -0.77 -0.57 113.55 115.47 1xfl h SER 107 Ca 0.48 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.76 1xfl h SER 107 Cb 0.56 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.35 1xfl h SER 107 CO -0.25 0.64 0.14 0.74 -0.53 0.00 0.00 176.83 177.57 1xfl h THR 108 N 0.45 1.23 -0.56 2.23 2.02 0.44 0.26 112.91 118.98 1xfl h THR 108 Ca 0.12 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 1xfl h THR 108 Cb 0.30 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 1xfl h THR 108 CO 0.00 0.32 0.16 0.40 0.37 0.00 0.00 175.52 176.77 1xfl h ILE 109 N 0.86 1.24 -0.12 3.11 2.04 -0.13 -1.20 117.51 123.31 1xfl h ILE 109 Ca 0.19 -0.84 -0.09 0.00 1.00 0.00 0.00 64.86 65.12 1xfl h ILE 109 Cb 0.31 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1xfl h ILE 109 CO -0.00 0.31 -0.33 0.00 0.00 0.00 0.00 178.15 178.13 1xfl h ALA 110 N 1.03 1.22 -0.11 1.87 0.00 -0.54 0.33 119.26 123.06 1xfl h ALA 110 Ca 0.18 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1xfl h ALA 110 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xfl h ALA 110 CO -0.00 0.53 -0.30 0.87 0.00 0.00 0.00 179.25 180.35 1xfl h LYS 111 N 0.21 0.20 0.06 0.00 1.57 -0.52 -2.86 116.57 115.23 1xfl h LYS 111 Ca 0.03 -0.07 -0.28 0.00 -1.87 0.00 0.00 60.65 58.46 1xfl h LYS 111 Cb 0.69 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.97 1xfl h LYS 111 CO 0.05 0.48 -1.43 0.45 -0.57 0.00 0.00 179.45 178.43 1xfl h HIS 112 N 0.18 0.23 -2.18 -1.35 3.86 -0.51 -3.47 115.15 111.92 1xfl h HIS 112 Ca 0.03 -0.17 -0.59 0.00 -1.16 0.00 0.00 60.37 58.48 1xfl h HIS 112 Cb 0.62 -0.01 0.03 0.00 1.06 0.00 0.00 27.41 29.11 1xfl h HIS 112 CO 0.01 1.20 1.07 -0.11 0.86 0.00 0.00 177.93 180.96 1xfl n LEU 113 N -3.34 3.56 0.00 2.43 -0.00 0.11 -5.10 117.00 114.67 1xfl n LEU 113 Ca -0.12 0.98 0.00 0.00 -0.00 0.00 0.00 56.01 56.87 1xfl n LEU 113 Cb 1.02 -1.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.01 1xfl n LEU 113 CO 0.48 -0.03 0.00 0.00 -0.00 0.00 0.00 177.39 177.84