#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xfl n ALA 2 N 0.00 -2.63 -1.51 3.17 0.00 -1.26 -4.66 120.51 113.61 1xfl n ALA 2 Ca 0.00 -0.19 -0.41 0.00 0.00 0.00 0.00 53.44 52.83 1xfl n ALA 2 Cb 0.00 -2.13 -0.07 0.00 0.00 0.00 0.00 19.45 17.25 1xfl n ALA 2 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1xfl n SER 3 N -2.38 1.81 -4.47 0.00 7.64 -1.26 -4.86 113.62 110.10 1xfl n SER 3 Ca -0.15 -0.07 -0.44 0.00 1.01 0.00 0.00 58.87 59.23 1xfl n SER 3 Cb 0.60 -1.33 -0.00 0.00 -1.01 0.00 0.00 64.21 62.46 1xfl n SER 3 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xfl s GLU 4 N 7.85 4.06 0.09 1.43 2.56 -1.26 -4.89 118.70 128.54 1xfl s GLU 4 Ca 1.11 -2.52 -0.12 0.00 0.00 0.00 0.00 54.97 53.44 1xfl s GLU 4 Cb -0.63 -5.07 0.01 0.00 2.00 0.00 0.00 34.13 30.44 1xfl s GLU 4 CO 0.38 -1.78 0.27 -1.83 -0.56 0.00 0.00 175.26 171.74 1xfl s GLU 5 N 1.73 0.90 -0.01 4.30 -1.05 -1.26 -4.71 118.70 118.60 1xfl s GLU 5 Ca 0.43 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.45 1xfl s GLU 5 Cb -0.03 0.38 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 1xfl s GLU 5 CO -0.00 -0.31 0.00 0.41 0.95 0.00 0.00 175.26 176.31 1xfl n GLY 6 N 0.03 0.48 3.75 -3.83 0.00 -0.65 -4.84 105.19 100.13 1xfl n GLY 6 Ca -0.16 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.26 4.23 -0.09 1.61 1.03 -1.26 -4.66 119.66 120.27 1xfl s GLN 7 Ca 0.00 0.40 0.03 0.00 0.04 0.00 0.00 55.36 55.83 1xfl s GLN 7 Cb 0.00 -3.38 -0.01 0.00 0.03 0.00 0.00 33.01 29.65 1xfl s GLN 7 CO 0.00 0.30 -0.20 0.54 -2.54 0.00 0.00 175.29 173.40 1xfl s VAL 8 N 0.17 2.49 -0.38 3.63 0.11 -1.26 -4.29 120.40 120.87 1xfl s VAL 8 Ca 0.24 -0.89 -0.19 0.00 -2.93 0.00 0.00 61.98 58.22 1xfl s VAL 8 Cb -0.15 -1.97 0.01 0.00 -1.53 0.00 0.00 36.38 32.73 1xfl s VAL 8 CO 0.10 0.56 0.53 -0.63 -3.33 0.00 0.00 175.10 172.33 1xfl s ILE 9 N 0.03 4.98 -0.45 7.04 1.01 0.15 -4.77 121.20 129.20 1xfl s ILE 9 Ca -0.07 0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.58 1xfl s ILE 9 Cb -0.15 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1xfl s ILE 9 CO 0.05 -0.33 0.54 0.00 0.00 0.00 0.00 174.94 175.19 1xfl s ALA 10 N 2.45 3.40 -0.11 9.38 0.00 -1.25 -0.40 121.76 135.22 1xfl s ALA 10 Ca 0.19 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.47 1xfl s ALA 10 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1xfl s ALA 10 CO 0.15 -1.74 0.52 0.00 0.00 0.00 0.00 175.76 174.68 1xfl n HIS 12 N 3.71 0.00 -3.82 0.00 8.25 -1.26 -4.43 115.22 117.67 1xfl n HIS 12 Ca -0.06 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.28 1xfl n HIS 12 Cb 0.52 0.00 -0.09 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 -1.18 0.07 0.16 1.59 -4.23 -1.26 -4.53 115.64 106.27 1xfl s THR 13 Ca 0.14 -0.62 0.27 0.00 -1.18 0.00 0.00 61.69 60.30 1xfl s THR 13 Cb 0.10 -0.58 0.29 0.00 1.34 0.00 0.00 72.50 73.65 1xfl s THR 13 CO 0.19 -0.34 1.90 1.62 -0.54 0.00 0.00 174.62 177.46 1xfl h VAL 14 N 3.96 0.40 -0.22 2.29 3.04 -1.98 -2.06 116.25 121.68 1xfl h VAL 14 Ca -0.30 -0.87 0.04 0.00 -1.01 0.00 0.00 66.70 64.55 1xfl h VAL 14 Cb 1.19 1.64 -0.04 0.00 -2.01 0.00 0.00 31.29 32.07 1xfl h VAL 14 CO 0.41 0.15 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.75 1xfl h GLU 15 N 0.00 0.02 -0.27 4.17 3.07 -2.00 0.17 114.58 119.73 1xfl h GLU 15 Ca -0.00 -0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 58.74 1xfl h GLU 15 Cb 0.63 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1xfl h GLU 15 CO 0.02 0.01 -0.29 1.15 -1.40 0.00 0.00 179.01 178.50 1xfl h THR 16 N 0.02 1.31 -0.10 1.13 2.02 -1.91 -2.98 112.91 112.39 1xfl h THR 16 Ca 0.10 -1.47 0.04 0.00 0.77 0.00 0.00 66.41 65.86 1xfl h THR 16 Cb 0.15 1.62 -0.06 0.00 -1.74 0.00 0.00 68.15 68.13 1xfl h THR 16 CO -0.21 0.47 -0.26 -0.25 0.37 0.00 0.00 175.52 175.64 1xfl h TRP 17 N 0.41 -0.70 -0.75 3.16 2.91 -0.89 0.20 115.95 120.29 1xfl h TRP 17 Ca 0.04 0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.07 1xfl h TRP 17 Cb 0.86 0.33 -0.04 0.00 -0.51 0.00 0.00 29.16 29.80 1xfl h TRP 17 CO 0.07 -0.34 0.39 -0.97 -1.03 0.00 0.00 178.44 176.56 1xfl h ASN 18 N -0.34 0.95 -0.60 2.65 -1.24 -0.76 -2.25 115.58 114.00 1xfl h ASN 18 Ca 0.09 -0.11 -0.07 0.00 0.71 0.00 0.00 56.30 56.92 1xfl h ASN 18 Cb 0.48 -0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 1xfl h ASN 18 CO -0.30 0.79 0.11 -0.08 -1.29 0.00 0.00 177.43 176.66 1xfl h GLU 19 N 1.04 0.98 -0.72 6.67 4.81 -1.26 0.79 114.58 126.88 1xfl h GLU 19 Ca 0.26 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1xfl h GLU 19 Cb 0.06 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.30 1xfl h GLU 19 CO -0.04 0.92 0.25 1.96 -0.73 0.00 0.00 179.01 181.36 1xfl h GLN 20 N 0.88 1.11 -0.45 1.92 1.08 -0.69 0.10 115.11 119.08 1xfl h GLN 20 Ca 0.18 -0.23 -0.10 0.00 -1.45 0.00 0.00 58.65 57.06 1xfl h GLN 20 Cb 0.41 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.65 1xfl h GLN 20 CO 0.01 0.94 -0.10 -0.07 -0.95 0.00 0.00 178.83 178.66 1xfl h LEU 21 N 1.06 0.86 -0.64 1.46 3.38 -1.16 0.58 115.31 120.86 1xfl h LEU 21 Ca 0.24 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1xfl h LEU 21 Cb 0.28 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 1xfl h LEU 21 CO -0.01 1.02 0.35 -0.61 0.09 0.00 0.00 178.44 179.28 1xfl h GLN 22 N 0.69 0.64 -0.38 1.13 5.75 -0.40 0.21 115.11 122.75 1xfl h GLN 22 Ca 0.11 -0.04 -0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1xfl h GLN 22 Cb 0.64 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1xfl h GLN 22 CO 0.04 0.42 0.14 -0.22 -2.65 0.00 0.00 178.83 176.57 1xfl h LYS 23 N 0.66 0.57 -0.61 1.69 3.64 -0.51 -0.15 116.57 121.86 1xfl h LYS 23 Ca 0.28 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 1xfl h LYS 23 Cb 0.17 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 1xfl h LYS 23 CO -0.17 0.56 0.22 0.00 -2.27 0.00 0.00 179.45 177.78 1xfl h ALA 24 N 0.99 0.79 0.31 5.00 0.00 -0.35 -0.02 119.26 125.97 1xfl h ALA 24 Ca 0.12 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xfl h ALA 24 Cb 0.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xfl h ALA 24 CO -0.01 0.43 -0.15 -0.97 0.00 0.00 0.00 179.25 178.56 1xfl h ASN 25 N 0.86 -0.35 -0.79 0.00 -1.24 -0.48 0.19 115.58 113.76 1xfl h ASN 25 Ca 0.20 -0.00 0.02 0.00 0.71 0.00 0.00 56.30 57.22 1xfl h ASN 25 Cb 0.24 0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 1xfl h ASN 25 CO -0.01 -0.23 0.52 -0.08 -1.29 0.00 0.00 177.43 176.33 1xfl h GLU 26 N -0.44 1.02 -0.00 6.67 4.81 -0.87 -2.32 114.58 123.44 1xfl h GLU 26 Ca -0.04 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1xfl h GLU 26 Cb 0.33 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1xfl h GLU 26 CO 0.07 0.67 -0.29 0.43 -0.73 0.00 0.00 179.01 179.16 1xfl n SER 27 N -4.55 0.50 -2.42 1.04 7.64 -0.04 -4.91 113.62 110.89 1xfl n SER 27 Ca 0.08 -0.30 -0.19 0.00 1.01 0.00 0.00 58.87 59.48 1xfl n SER 27 Cb 0.04 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.29 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 -1.24 -3.17 -3.42 1.43 5.02 0.07 -4.98 118.16 111.88 1xfl n LYS 28 Ca 0.09 0.83 -0.35 0.00 -2.02 0.00 0.00 58.31 56.85 1xfl n LYS 28 Cb 0.33 -5.40 -0.06 0.00 -0.02 0.00 0.00 35.03 29.88 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 -3.02 4.92 0.18 -0.18 2.01 0.46 -4.52 115.64 115.48 1xfl s THR 29 Ca 0.16 0.74 -0.27 0.00 0.31 0.00 0.00 61.69 62.63 1xfl s THR 29 Cb -0.07 -3.71 -0.08 0.00 0.01 0.00 0.00 72.50 68.65 1xfl s THR 29 CO 0.20 0.28 0.84 -0.22 -0.69 0.00 0.00 174.62 175.03 1xfl s LEU 30 N -1.88 4.59 -0.04 4.42 0.20 -1.26 -1.84 118.68 122.87 1xfl s LEU 30 Ca 0.36 1.74 0.04 0.00 0.69 0.00 0.00 54.13 56.95 1xfl s LEU 30 Cb -0.15 -3.41 -0.00 0.00 -0.43 0.00 0.00 46.19 42.20 1xfl s LEU 30 CO 0.19 0.16 -0.16 0.54 -0.29 0.00 0.00 176.35 176.79 1xfl s VAL 31 N -0.98 1.33 -0.18 1.68 0.11 -0.78 -2.99 120.40 118.60 1xfl s VAL 31 Ca 0.39 -0.65 0.01 0.00 -2.93 0.00 0.00 61.98 58.80 1xfl s VAL 31 Cb -0.24 -1.15 0.02 0.00 -1.53 0.00 0.00 36.38 33.48 1xfl s VAL 31 CO 0.28 0.39 -0.20 -0.69 -3.33 0.00 0.00 175.10 171.55 1xfl s VAL 32 N 0.14 2.04 -0.14 2.04 1.01 -0.00 -0.70 120.40 124.79 1xfl s VAL 32 Ca -0.05 -0.93 -0.01 0.00 0.00 0.00 0.00 61.98 60.98 1xfl s VAL 32 Cb -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.40 1xfl s VAL 32 CO 0.02 0.53 -0.10 -0.69 0.00 0.00 0.00 175.10 174.86 1xfl s VAL 33 N 1.30 3.29 -0.32 2.92 1.01 0.64 -0.01 120.40 129.22 1xfl s VAL 33 Ca 0.05 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1xfl s VAL 33 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.88 1xfl s VAL 33 CO -0.13 0.52 0.10 -0.62 0.00 0.00 0.00 175.10 174.96 1xfl s ASP 34 N 0.35 5.25 -0.30 3.32 2.15 0.52 0.45 116.67 128.40 1xfl s ASP 34 Ca -0.09 -0.98 -0.16 0.00 0.43 0.00 0.00 52.55 51.75 1xfl s ASP 34 Cb -0.15 -1.87 -0.02 0.00 -0.30 0.00 0.00 42.92 40.57 1xfl s ASP 34 CO 0.05 -0.28 0.43 -0.36 -0.17 0.00 0.00 175.17 174.84 1xfl s PHE 35 N 1.44 3.23 0.34 -5.34 0.40 0.64 -0.16 117.98 118.53 1xfl s PHE 35 Ca -0.00 0.35 -0.08 0.00 -0.60 0.00 0.00 56.93 56.60 1xfl s PHE 35 Cb -0.19 -2.69 0.02 0.00 0.51 0.00 0.00 43.02 40.67 1xfl s PHE 35 CO 0.03 -0.34 0.56 -0.08 0.70 0.00 0.00 175.22 176.09 1xfl s THR 36 N 2.18 0.00 -0.03 0.64 -1.32 0.60 -0.63 115.64 117.08 1xfl s THR 36 Ca 0.17 -1.40 0.02 0.00 -1.21 0.00 0.00 61.69 59.27 1xfl s THR 36 Cb -0.16 -2.62 0.01 0.00 -1.51 0.00 0.00 72.50 68.21 1xfl s THR 36 CO 0.11 0.00 -0.10 0.00 -2.21 0.00 0.00 174.62 172.42 1xfl s ALA 37 N -3.02 0.95 -0.15 11.08 0.00 -1.26 -0.54 121.76 128.81 1xfl s ALA 37 Ca 0.25 -0.34 0.29 0.00 0.00 0.00 0.00 51.96 52.16 1xfl s ALA 37 Cb -0.02 -0.38 1.26 0.00 0.00 0.00 0.00 23.12 23.99 1xfl s ALA 37 CO 0.16 0.13 1.86 0.77 0.00 0.00 0.00 175.76 178.68 1xfl h SER 38 N 6.54 0.00 0.02 0.00 0.02 -1.98 -2.49 113.55 115.66 1xfl h SER 38 Ca -0.33 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1xfl h SER 38 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1xfl h SER 38 CO 0.48 0.00 -0.01 -2.67 -1.14 0.00 0.00 176.83 173.49 1xfl n TRP 39 N -2.60 0.00 -3.90 3.45 4.27 -1.26 -4.82 117.44 112.57 1xfl n TRP 39 Ca 0.01 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.26 1xfl n TRP 39 Cb 0.22 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 30.05 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 7.36 -1.17 1.40 0.00 0.00 -1.88 -1.36 103.07 107.42 1xfl h GLY 41 Ca -0.37 0.60 0.08 0.00 0.00 0.00 0.00 47.33 47.65 1xfl h GLY 41 CO 0.64 -0.32 0.22 -0.56 0.00 0.00 0.00 176.54 176.53 1xfl h PRO 42 N -0.64 0.03 -0.27 4.80 0.13 -1.96 0.82 132.00 134.92 1xfl h PRO 42 Ca -0.02 -0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.99 1xfl h PRO 42 Cb 0.62 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.74 1xfl h PRO 42 CO -0.19 0.02 -0.32 0.00 -0.23 0.00 0.00 178.00 177.29 1xfl h ARG 44 N 0.41 0.00 -0.06 0.00 9.65 0.00 -2.40 114.38 121.99 1xfl h ARG 44 Ca 0.04 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 58.79 1xfl h ARG 44 Cb 0.90 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.46 1xfl h ARG 44 CO 0.08 0.67 -0.53 0.35 2.80 0.00 0.00 179.97 183.34 1xfl h PHE 45 N 0.00 0.21 0.00 2.20 3.57 -0.74 -3.12 116.94 119.06 1xfl h PHE 45 Ca -0.01 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1xfl h PHE 45 Cb 1.21 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.91 1xfl h PHE 45 CO 0.00 0.66 -0.67 0.97 -2.23 0.00 0.00 178.31 177.04 1xfl h ILE 46 N 0.13 0.00 -0.44 1.41 6.09 -0.98 -3.37 117.51 120.35 1xfl h ILE 46 Ca 0.00 -0.85 0.08 0.00 -1.37 0.00 0.00 64.86 62.72 1xfl h ILE 46 Cb 0.97 1.49 -0.07 0.00 0.47 0.00 0.00 36.82 39.69 1xfl h ILE 46 CO 0.08 0.00 0.02 0.00 -3.07 0.00 0.00 178.15 175.18 1xfl h ALA 47 N 2.15 0.43 -0.40 0.18 0.00 -1.37 -1.57 119.26 118.68 1xfl h ALA 47 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.08 1xfl h ALA 47 Cb 0.93 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1xfl h ALA 47 CO 0.00 -0.37 0.27 -1.35 0.00 0.00 0.00 179.25 177.80 1xfl h PRO 48 N 0.14 0.31 -0.11 0.00 0.11 -1.74 0.21 132.00 130.92 1xfl h PRO 48 Ca 0.22 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 66.12 1xfl h PRO 48 Cb 0.31 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.36 1xfl h PRO 48 CO -0.34 0.21 -0.66 0.35 -0.21 0.00 0.00 178.00 177.34 1xfl h PHE 49 N 0.32 0.88 -0.22 0.65 3.57 -1.62 -2.04 116.94 118.48 1xfl h PHE 49 Ca 0.18 -0.40 -0.08 0.00 3.53 0.00 0.00 57.97 61.19 1xfl h PHE 49 Cb 0.29 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1xfl h PHE 49 CO -0.00 1.21 -0.22 0.35 -2.23 0.00 0.00 178.31 177.42 1xfl h PHE 50 N 0.31 0.43 0.00 0.41 3.57 -0.51 -1.30 116.94 119.85 1xfl h PHE 50 Ca -0.05 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 61.31 1xfl h PHE 50 Cb 1.30 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.92 1xfl h PHE 50 CO 0.10 0.59 -0.27 0.00 -2.23 0.00 0.00 178.31 176.51 1xfl h ALA 51 N 1.42 1.47 -0.06 2.41 0.00 -0.46 0.69 119.26 124.71 1xfl h ALA 51 Ca 0.06 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 1xfl h ALA 51 Cb 0.59 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1xfl h ALA 51 CO 0.04 0.34 -0.46 0.22 0.00 0.00 0.00 179.25 179.39 1xfl h ASP 52 N 0.00 0.52 -0.42 0.00 3.58 -0.57 -2.03 116.42 117.50 1xfl h ASP 52 Ca -0.00 -0.68 0.06 0.00 0.42 0.00 0.00 57.03 56.82 1xfl h ASP 52 Cb 0.50 -0.15 -0.05 0.00 1.72 0.00 0.00 39.33 41.35 1xfl h ASP 52 CO 0.04 1.12 0.13 -0.07 -2.88 0.00 0.00 179.24 177.57 1xfl h LEU 53 N -0.04 0.12 -1.75 2.28 3.38 -0.94 0.09 115.31 118.45 1xfl h LEU 53 Ca -0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1xfl h LEU 53 Cb 1.13 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 1xfl h LEU 53 CO 0.09 0.10 0.06 0.00 0.09 0.00 0.00 178.44 178.79 1xfl h ALA 54 N 1.28 1.81 0.05 1.53 0.00 -0.84 -2.26 119.26 120.83 1xfl h ALA 54 Ca 0.20 -0.05 -0.24 0.00 0.00 0.00 0.00 54.91 54.82 1xfl h ALA 54 Cb 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1xfl h ALA 54 CO -0.22 0.16 -1.05 -0.22 0.00 0.00 0.00 179.25 177.93 1xfl h LYS 55 N 0.23 0.34 0.00 0.00 3.64 -0.37 -1.71 116.57 118.69 1xfl h LYS 55 Ca 0.06 -0.43 -0.15 0.00 -1.27 0.00 0.00 60.65 58.86 1xfl h LYS 55 Cb 0.05 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 1xfl h LYS 55 CO -0.01 1.13 -0.73 -0.22 -2.27 0.00 0.00 179.45 177.36 1xfl h LYS 56 N 0.16 0.00 -3.57 1.90 3.64 -0.60 -3.37 116.57 114.72 1xfl h LYS 56 Ca -0.10 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.59 1xfl h LYS 56 Cb 1.72 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 33.18 1xfl h LYS 56 CO 0.18 0.73 -0.36 -0.51 -2.27 0.00 0.00 179.45 177.21 1xfl s LEU 57 N -7.20 5.24 0.27 5.20 1.43 -0.89 -4.93 118.68 117.80 1xfl s LEU 57 Ca -0.00 -2.88 0.11 0.00 -1.03 0.00 0.00 54.13 50.33 1xfl s LEU 57 Cb 0.11 -1.86 0.33 0.00 0.03 0.00 0.00 46.19 44.81 1xfl s LEU 57 CO 0.78 -0.36 1.59 1.55 0.23 0.00 0.00 176.35 180.13 1xfl h PRO 58 N 7.00 0.00 -0.00 1.29 0.13 -1.74 -3.11 132.00 135.57 1xfl h PRO 58 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1xfl h PRO 58 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 1xfl h PRO 58 CO 0.71 0.62 -0.23 0.27 -0.23 0.00 0.00 178.00 179.15 1xfl n ASN 59 N -3.69 0.62 -4.79 1.44 6.94 -1.26 -4.79 115.26 109.72 1xfl n ASN 59 Ca -0.01 -0.52 -0.36 0.00 -0.02 0.00 0.00 54.58 53.67 1xfl n ASN 59 Cb 0.64 0.02 -0.07 0.00 -2.36 0.00 0.00 39.78 38.01 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 -2.63 5.43 -0.34 3.53 1.01 -1.18 -4.81 120.40 121.42 1xfl s VAL 60 Ca 0.23 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1xfl s VAL 60 Cb 0.19 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 33.11 1xfl s VAL 60 CO 0.54 0.51 0.67 -0.76 0.00 0.00 0.00 175.10 176.06 1xfl s LEU 61 N -0.23 4.19 -0.10 3.92 1.02 -1.16 -4.97 118.68 121.35 1xfl s LEU 61 Ca 0.12 0.31 -0.03 0.00 0.02 0.00 0.00 54.13 54.55 1xfl s LEU 61 Cb -0.12 -2.86 -0.03 0.00 0.02 0.00 0.00 46.19 43.19 1xfl s LEU 61 CO 0.01 -0.59 0.03 -0.36 0.02 0.00 0.00 176.35 175.46 1xfl s PHE 62 N 2.77 3.24 -0.06 0.29 0.40 -1.26 -0.82 117.98 122.55 1xfl s PHE 62 Ca 0.27 0.24 0.06 0.00 -0.60 0.00 0.00 56.93 56.89 1xfl s PHE 62 Cb -0.14 -1.83 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 1xfl s PHE 62 CO 0.14 0.50 -0.23 -0.51 0.70 0.00 0.00 175.22 175.81 1xfl s LEU 63 N -0.83 2.04 -0.32 -0.37 1.02 0.98 0.33 118.68 121.53 1xfl s LEU 63 Ca 0.13 -0.48 -0.09 0.00 0.02 0.00 0.00 54.13 53.71 1xfl s LEU 63 Cb -0.12 -1.29 0.01 0.00 0.02 0.00 0.00 46.19 44.81 1xfl s LEU 63 CO 0.03 0.22 0.13 -0.75 0.02 0.00 0.00 176.35 176.00 1xfl s LYS 64 N -0.10 3.09 -0.24 1.70 2.36 0.46 -0.35 119.74 126.66 1xfl s LYS 64 Ca -0.04 -0.87 -0.02 0.00 -2.55 0.00 0.00 55.97 52.49 1xfl s LYS 64 Cb -0.13 -3.52 0.02 0.00 -1.05 0.00 0.00 37.83 33.15 1xfl s LYS 64 CO 0.04 -0.50 -0.07 0.08 1.55 0.00 0.00 175.35 176.45 1xfl s VAL 65 N 1.54 2.90 -0.14 4.02 1.01 0.78 -3.43 120.40 127.08 1xfl s VAL 65 Ca 0.03 -0.91 -0.15 0.00 0.00 0.00 0.00 61.98 60.95 1xfl s VAL 65 Cb -0.18 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.74 1xfl s VAL 65 CO 0.05 0.28 0.35 -0.62 0.00 0.00 0.00 175.10 175.15 1xfl s ASP 66 N 1.35 6.53 0.32 3.32 -1.08 -1.25 -0.29 116.67 125.57 1xfl s ASP 66 Ca 0.02 0.62 0.26 0.00 -0.52 0.00 0.00 52.55 52.93 1xfl s ASP 66 Cb -0.16 -2.21 1.00 0.00 -1.46 0.00 0.00 42.92 40.09 1xfl s ASP 66 CO -0.05 0.09 1.77 0.71 0.52 0.00 0.00 175.17 178.22 1xfl h THR 67 N 4.61 0.00 0.18 1.71 1.35 -1.08 0.30 112.91 119.99 1xfl h THR 67 Ca -0.42 -0.36 -0.26 0.00 -0.55 0.00 0.00 66.41 64.82 1xfl h THR 67 Cb 1.17 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 68.82 1xfl h THR 67 CO 0.74 0.00 -1.18 -0.78 -0.25 0.00 0.00 175.52 174.05 1xfl h ASP 68 N 0.00 0.59 0.63 5.36 3.58 -1.93 -3.12 116.42 121.54 1xfl h ASP 68 Ca 0.00 -0.93 -0.03 0.00 0.42 0.00 0.00 57.03 56.49 1xfl h ASP 68 Cb 0.48 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.35 1xfl h ASP 68 CO 0.00 1.56 -0.30 -0.33 -2.88 0.00 0.00 179.24 177.28 1xfl h GLU 69 N -0.16 -0.82 -2.48 0.28 4.39 -1.84 -3.31 114.58 110.65 1xfl h GLU 69 Ca -0.22 0.06 -0.72 0.00 0.34 0.00 0.00 59.36 58.82 1xfl h GLU 69 Cb 1.86 0.19 -0.34 0.00 -0.10 0.00 0.00 28.75 30.36 1xfl h GLU 69 CO 0.18 -0.51 0.24 -0.11 -1.16 0.00 0.00 179.01 177.65 1xfl n LEU 70 N -5.36 5.60 -0.11 1.33 7.94 0.10 -4.79 117.00 121.71 1xfl n LEU 70 Ca -0.12 -5.39 -0.13 0.00 -1.11 0.00 0.00 56.01 49.26 1xfl n LEU 70 Cb 0.36 -0.97 -0.03 0.00 0.53 0.00 0.00 43.42 43.31 1xfl n LEU 70 CO 0.30 1.98 0.61 0.50 -1.11 0.00 0.00 177.39 179.66 1xfl h LYS 71 N 4.43 0.78 -0.43 1.96 3.64 -1.63 -2.75 116.57 122.57 1xfl h LYS 71 Ca 0.26 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 1xfl h LYS 71 Cb 0.55 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.34 1xfl h LYS 71 CO 1.09 1.01 0.14 0.77 -2.27 0.00 0.00 179.45 180.18 1xfl h SER 72 N 0.56 0.63 -0.23 4.20 0.02 -1.87 -0.68 113.55 116.18 1xfl h SER 72 Ca 0.07 -0.20 -0.14 0.00 -0.84 0.00 0.00 61.79 60.67 1xfl h SER 72 Cb 0.82 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1xfl h SER 72 CO 0.07 0.66 -0.35 0.58 -1.14 0.00 0.00 176.83 176.65 1xfl h VAL 73 N 0.56 1.28 -0.42 2.27 2.07 -1.97 0.19 116.25 120.23 1xfl h VAL 73 Ca 0.14 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 66.11 1xfl h VAL 73 Cb 0.26 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1xfl h VAL 73 CO -0.01 0.50 0.12 0.00 0.02 0.00 0.00 177.57 178.20 1xfl h ALA 74 N 0.97 1.42 -0.01 1.67 0.00 -1.28 -0.24 119.26 121.80 1xfl h ALA 74 Ca 0.06 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.58 1xfl h ALA 74 Cb 0.89 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xfl h ALA 74 CO 0.08 0.43 -0.97 1.03 0.00 0.00 0.00 179.25 179.82 1xfl h SER 75 N 0.61 0.70 -0.38 0.00 0.87 -0.68 -0.68 113.55 113.98 1xfl h SER 75 Ca 0.14 -0.55 -0.08 0.00 -1.23 0.00 0.00 61.79 60.07 1xfl h SER 75 Cb 0.20 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 61.93 1xfl h SER 75 CO -0.01 1.35 -0.05 -0.78 -0.53 0.00 0.00 176.83 176.81 1xfl h ASP 76 N 0.31 0.78 -0.01 6.23 3.58 0.15 -2.23 116.42 125.23 1xfl h ASP 76 Ca -0.10 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.15 1xfl h ASP 76 Cb 1.60 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.45 1xfl h ASP 76 CO 0.18 0.87 -0.01 0.79 -2.88 0.00 0.00 179.24 178.19 1xfl n TRP 77 N -4.19 0.00 -3.21 0.28 7.02 -0.17 -4.98 117.44 112.18 1xfl n TRP 77 Ca 0.02 0.00 -0.13 0.00 -1.02 0.00 0.00 57.50 56.37 1xfl n TRP 77 Cb 0.33 -0.00 0.01 0.00 -2.42 0.00 0.00 31.31 29.23 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 0.23 -2.68 -3.00 6.99 0.00 -0.84 -4.93 120.51 116.28 1xfl n ALA 78 Ca 0.18 0.34 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 1xfl n ALA 78 Cb 0.37 -2.13 -0.05 0.00 0.00 0.00 0.00 19.45 17.65 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 -2.65 4.70 -0.07 0.00 -1.09 -0.30 -4.87 121.20 116.93 1xfl s ILE 79 Ca 0.13 -0.76 0.14 0.00 -2.23 0.00 0.00 60.65 57.93 1xfl s ILE 79 Cb -0.03 -4.51 -0.20 0.00 -1.58 0.00 0.00 42.46 36.14 1xfl s ILE 79 CO 0.80 -1.17 0.73 0.06 -1.23 0.00 0.00 174.94 174.14 1xfl h GLN 80 N 9.26 0.00 -4.53 2.79 -0.00 -1.92 -3.46 115.11 117.24 1xfl h GLN 80 Ca -0.29 0.00 -0.52 0.00 -0.00 0.00 0.00 58.65 57.84 1xfl h GLN 80 Cb 1.08 0.00 -0.34 0.00 -0.00 0.00 0.00 27.48 28.23 1xfl h GLN 80 CO 1.10 0.44 -0.81 0.00 -0.00 0.00 0.00 178.83 179.56 1xfl s ALA 81 N -2.71 1.28 -0.00 0.06 0.00 -1.26 -5.12 121.76 114.01 1xfl s ALA 81 Ca -0.04 -0.44 0.05 0.00 0.00 0.00 0.00 51.96 51.54 1xfl s ALA 81 Cb 0.08 -0.60 -0.03 0.00 0.00 0.00 0.00 23.12 22.57 1xfl s ALA 81 CO 0.82 0.07 -0.15 -1.64 0.00 0.00 0.00 175.76 174.86 1xfl s MET 82 N 0.75 2.32 0.41 0.00 -1.94 -1.26 -3.86 119.30 115.73 1xfl s MET 82 Ca -0.13 -0.83 -0.10 0.00 -1.71 0.00 0.00 55.69 52.92 1xfl s MET 82 Cb -0.16 -2.31 -0.06 0.00 2.01 0.00 0.00 34.83 34.31 1xfl s MET 82 CO 0.03 0.58 0.78 -1.25 -0.01 0.00 0.00 175.02 175.15 1xfl s PRO 83 N -1.14 3.76 -0.07 2.03 0.04 -1.26 -4.69 135.00 133.68 1xfl s PRO 83 Ca 0.14 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.64 1xfl s PRO 83 Cb -0.11 -2.38 0.02 0.00 0.04 0.00 0.00 34.50 32.07 1xfl s PRO 83 CO 0.04 -0.06 -0.07 -0.08 0.04 0.00 0.00 177.00 176.87 1xfl s THR 84 N -2.41 0.78 -0.25 1.26 -1.32 0.19 -0.37 115.64 113.52 1xfl s THR 84 Ca 0.51 -0.22 -0.08 0.00 -1.21 0.00 0.00 61.69 60.69 1xfl s THR 84 Cb -0.10 -0.78 -0.03 0.00 -1.51 0.00 0.00 72.50 70.07 1xfl s THR 84 CO 0.33 0.29 0.09 -0.36 -2.21 0.00 0.00 174.62 172.76 1xfl s PHE 85 N 1.14 3.12 -0.22 9.09 0.40 0.73 -0.26 117.98 131.98 1xfl s PHE 85 Ca -0.07 -0.28 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1xfl s PHE 85 Cb -0.14 -2.25 -0.02 0.00 0.51 0.00 0.00 43.02 41.12 1xfl s PHE 85 CO -0.01 -0.29 -0.01 1.41 0.70 0.00 0.00 175.22 177.03 1xfl s MET 86 N 1.55 3.51 -0.29 0.44 1.75 0.17 0.36 119.30 126.80 1xfl s MET 86 Ca 0.06 -0.56 -0.09 0.00 -1.25 0.00 0.00 55.69 53.85 1xfl s MET 86 Cb -0.15 -3.10 -0.02 0.00 2.84 0.00 0.00 34.83 34.40 1xfl s MET 86 CO 0.05 -0.13 0.13 -0.06 -0.65 0.00 0.00 175.02 174.36 1xfl s PHE 87 N 1.36 3.16 0.23 4.11 0.40 0.74 -0.26 117.98 127.72 1xfl s PHE 87 Ca 0.04 -0.46 0.11 0.00 -0.60 0.00 0.00 56.93 56.02 1xfl s PHE 87 Cb -0.15 -2.33 -0.05 0.00 0.51 0.00 0.00 43.02 41.01 1xfl s PHE 87 CO 0.00 -0.40 -0.21 -0.51 0.70 0.00 0.00 175.22 174.81 1xfl s LEU 88 N 1.63 2.51 -0.09 -0.37 1.43 0.12 -1.86 118.68 122.05 1xfl s LEU 88 Ca 0.05 -0.95 -0.01 0.00 -1.03 0.00 0.00 54.13 52.20 1xfl s LEU 88 Cb -0.16 -1.04 0.03 0.00 0.03 0.00 0.00 46.19 45.04 1xfl s LEU 88 CO 0.06 0.03 -0.04 -0.75 0.23 0.00 0.00 176.35 175.88 1xfl s LYS 89 N -3.14 1.09 -1.71 1.70 2.20 0.12 -1.86 119.74 118.13 1xfl s LYS 89 Ca 0.24 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 1xfl s LYS 89 Cb -0.06 -1.26 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 1xfl s LYS 89 CO 0.11 -0.26 0.00 0.39 -0.36 0.00 0.00 175.35 175.23 1xfl n GLU 90 N 4.92 -1.17 -0.35 4.03 1.02 -0.76 -0.58 120.64 127.75 1xfl n GLU 90 Ca -0.11 1.06 0.00 0.00 -0.02 0.00 0.00 57.16 58.09 1xfl n GLU 90 Cb 0.50 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 1xfl n GLU 90 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xfl n GLY 91 N -0.89 0.74 3.85 0.62 0.00 -1.25 -4.16 105.19 104.09 1xfl n GLY 91 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.61 3.71 -0.08 1.61 3.01 0.26 -5.04 119.74 122.60 1xfl s LYS 92 Ca 0.00 0.08 -0.30 0.00 -1.01 0.00 0.00 55.97 54.74 1xfl s LYS 92 Cb 0.00 -3.23 -0.04 0.00 -1.01 0.00 0.00 37.83 33.55 1xfl s LYS 92 CO 0.00 0.68 1.45 0.42 0.51 0.00 0.00 175.35 178.42 1xfl s ILE 93 N -0.86 3.85 -0.15 2.17 1.01 -1.26 0.14 121.20 126.10 1xfl s ILE 93 Ca 0.18 1.09 -0.15 0.00 0.00 0.00 0.00 60.65 61.77 1xfl s ILE 93 Cb -0.14 -3.70 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 1xfl s ILE 93 CO 0.07 -0.07 -0.30 0.18 0.00 0.00 0.00 174.94 174.82 1xfl n LEU 94 N 6.48 1.81 -3.47 2.97 4.77 -0.89 -4.90 117.00 123.78 1xfl n LEU 94 Ca 0.15 0.30 -0.13 0.00 -0.03 0.00 0.00 56.01 56.30 1xfl n LEU 94 Cb 0.44 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1xfl n LEU 94 CO 0.59 -0.29 0.38 1.51 -1.33 0.00 0.00 177.39 178.25 1xfl s ASP 95 N -6.01 -0.55 -0.06 -1.43 1.47 -0.78 -5.05 116.67 104.27 1xfl s ASP 95 Ca -0.25 0.12 -0.07 0.00 1.18 0.00 0.00 52.55 53.53 1xfl s ASP 95 Cb 0.04 0.57 0.02 0.00 -0.34 0.00 0.00 42.92 43.21 1xfl s ASP 95 CO 0.37 -0.87 0.18 -0.75 0.68 0.00 0.00 175.17 174.78 1xfl s LYS 96 N -3.17 0.27 -0.20 2.11 2.20 -1.26 -0.18 119.74 119.51 1xfl s LYS 96 Ca -0.02 0.14 -0.02 0.00 -0.36 0.00 0.00 55.97 55.72 1xfl s LYS 96 Cb -0.01 0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1xfl s LYS 96 CO -0.08 -0.04 -0.12 0.08 -0.36 0.00 0.00 175.35 174.83 1xfl s VAL 97 N -0.17 2.77 -0.29 4.02 1.01 0.16 -4.98 120.40 122.91 1xfl s VAL 97 Ca -0.03 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1xfl s VAL 97 Cb -0.02 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1xfl s VAL 97 CO 0.01 0.48 0.15 -0.69 0.00 0.00 0.00 175.10 175.04 1xfl s VAL 98 N 1.37 4.74 0.00 2.92 1.01 -1.26 -0.19 120.40 128.98 1xfl s VAL 98 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1xfl s VAL 98 Cb -0.14 -3.33 0.00 0.00 0.00 0.00 0.00 36.38 32.91 1xfl s VAL 98 CO -0.08 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1xfl n GLY 99 N 4.99 1.87 3.59 4.51 0.00 0.50 -4.87 105.19 115.79 1xfl n GLY 99 Ca -0.14 -1.65 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.73 3.00 -0.22 4.61 0.00 -1.25 -4.83 121.76 121.34 1xfl s ALA 100 Ca 0.00 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.47 1xfl s ALA 100 Cb 0.00 -3.99 0.05 0.00 0.00 0.00 0.00 23.12 19.18 1xfl s ALA 100 CO 0.00 -2.56 -0.07 0.15 0.00 0.00 0.00 175.76 173.29 1xfl s LYS 101 N 4.97 1.73 0.08 0.00 1.02 -1.26 -5.02 119.74 121.26 1xfl s LYS 101 Ca 0.52 -0.94 -0.18 0.00 0.02 0.00 0.00 55.97 55.40 1xfl s LYS 101 Cb -0.10 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 34.60 1xfl s LYS 101 CO 0.29 -0.54 1.46 -0.22 -0.92 0.00 0.00 175.35 175.41 1xfl h LYS 102 N 7.96 0.49 -0.04 1.68 3.64 -1.99 -0.87 116.57 127.45 1xfl h LYS 102 Ca -0.21 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 58.93 1xfl h LYS 102 Cb 1.08 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1xfl h LYS 102 CO 0.43 0.74 -0.13 0.22 -2.27 0.00 0.00 179.45 178.44 1xfl h ASP 103 N 0.23 0.18 0.26 4.20 3.58 -1.99 -2.77 116.42 120.10 1xfl h ASP 103 Ca 0.06 -0.62 -0.06 0.00 0.42 0.00 0.00 57.03 56.83 1xfl h ASP 103 Cb 0.57 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.56 1xfl h ASP 103 CO 0.03 0.77 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.82 1xfl h GLU 104 N -0.40 0.00 0.12 0.28 4.81 -1.99 0.17 114.58 117.56 1xfl h GLU 104 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1xfl h GLU 104 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1xfl h GLU 104 CO 0.03 0.26 -0.06 1.25 -0.73 0.00 0.00 179.01 179.76 1xfl h LEU 105 N 0.00 -0.13 -1.41 1.64 5.85 -1.15 -0.10 115.31 120.01 1xfl h LEU 105 Ca -0.00 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.59 1xfl h LEU 105 Cb 0.47 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 1xfl h LEU 105 CO 0.03 0.08 0.43 1.56 -0.34 0.00 0.00 178.44 180.20 1xfl h GLN 106 N -0.34 0.76 -0.50 1.25 4.20 -1.14 0.16 115.11 119.50 1xfl h GLN 106 Ca -0.02 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.57 1xfl h GLN 106 Cb 0.28 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1xfl h GLN 106 CO 0.03 0.50 0.01 0.77 -0.67 0.00 0.00 178.83 179.47 1xfl h SER 107 N 0.78 0.79 0.42 1.46 0.02 -0.66 0.82 113.55 117.19 1xfl h SER 107 Ca 0.25 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1xfl h SER 107 Cb 0.05 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.36 1xfl h SER 107 CO -0.07 0.85 -0.59 0.74 -1.14 0.00 0.00 176.83 176.63 1xfl h THR 108 N 0.77 1.39 -0.11 -2.27 2.02 0.56 0.16 112.91 115.43 1xfl h THR 108 Ca 0.15 -1.97 -0.01 0.00 0.77 0.00 0.00 66.41 65.35 1xfl h THR 108 Cb 0.45 2.01 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 1xfl h THR 108 CO 0.02 0.58 0.02 0.40 0.37 0.00 0.00 175.52 176.90 1xfl h ILE 109 N 0.13 1.22 -0.37 3.11 2.04 -0.07 -2.10 117.51 121.46 1xfl h ILE 109 Ca -0.00 -0.68 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1xfl h ILE 109 Cb 1.07 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.59 1xfl h ILE 109 CO 0.09 0.20 0.23 0.00 0.00 0.00 0.00 178.15 178.66 1xfl h ALA 110 N 0.79 1.71 -0.59 1.87 0.00 -0.63 0.66 119.26 123.08 1xfl h ALA 110 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1xfl h ALA 110 Cb 0.29 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1xfl h ALA 110 CO 0.00 0.26 0.35 -0.22 0.00 0.00 0.00 179.25 179.65 1xfl h LYS 111 N 0.50 0.68 0.00 0.00 3.64 -0.69 -2.18 116.57 118.52 1xfl h LYS 111 Ca 0.13 -0.04 -0.08 0.00 -1.27 0.00 0.00 60.65 59.40 1xfl h LYS 111 Cb -0.03 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.63 1xfl h LYS 111 CO -0.03 0.45 -0.36 0.45 -2.27 0.00 0.00 179.45 177.69 1xfl h HIS 112 N 0.70 0.00 -0.08 1.91 3.86 -0.52 -3.21 115.15 117.81 1xfl h HIS 112 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1xfl h HIS 112 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1xfl h HIS 112 CO -0.06 0.36 0.00 1.28 0.86 0.00 0.00 177.93 180.37 1xfl n LEU 113 N -3.32 1.42 0.00 2.43 4.77 0.10 -5.10 117.00 117.31 1xfl n LEU 113 Ca 0.01 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.28 1xfl n LEU 113 Cb 0.59 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.24 1xfl n LEU 113 CO 0.37 0.27 0.17 0.00 -1.33 0.00 0.00 177.39 176.87