#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xye s LEU 2 N 0.00 4.22 0.76 -0.89 1.43 -1.26 -5.07 118.68 117.87 1xye s LEU 2 Ca 0.00 1.41 -0.12 0.00 -1.03 0.00 0.00 54.13 54.40 1xye s LEU 2 Cb 0.00 -3.45 0.05 0.00 0.03 0.00 0.00 46.19 42.82 1xye s LEU 2 CO 0.00 -0.43 1.13 -0.94 0.23 0.00 0.00 176.35 176.34 1xye s SER 3 N 1.10 4.96 0.41 2.29 1.04 -1.26 -4.85 113.70 117.40 1xye s SER 3 Ca 0.45 0.99 0.10 0.00 0.48 0.00 0.00 55.95 57.96 1xye s SER 3 Cb -0.18 -1.65 0.90 0.00 0.10 0.00 0.00 66.02 65.20 1xye s SER 3 CO 0.16 -1.63 2.01 -0.65 0.98 0.00 0.00 173.24 174.10 1xye h PRO 4 N -0.86 0.52 -0.37 4.02 0.11 -1.99 -0.96 132.00 132.47 1xye h PRO 4 Ca -0.46 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1xye h PRO 4 Cb 1.29 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1xye h PRO 4 CO 0.64 0.34 -0.27 0.00 -0.21 0.00 0.00 178.00 178.51 1xye h ALA 5 N 1.70 0.84 0.08 -0.75 0.00 -1.98 -1.45 119.26 117.68 1xye h ALA 5 Ca 0.23 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xye h ALA 5 Cb 0.25 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1xye h ALA 5 CO -0.06 0.64 -0.09 -0.44 0.00 0.00 0.00 179.25 179.30 1xye h ASP 6 N 0.65 -0.23 -0.53 0.00 3.32 -1.57 0.24 116.42 118.31 1xye h ASP 6 Ca 0.08 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1xye h ASP 6 Cb 0.79 0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.40 1xye h ASP 6 CO 0.07 -0.13 0.34 0.11 -1.72 0.00 0.00 179.24 177.90 1xye h LYS 7 N -0.19 0.71 -0.24 3.56 1.57 -1.09 0.13 116.57 121.02 1xye h LYS 7 Ca 0.01 -0.05 -0.13 0.00 -1.87 0.00 0.00 60.65 58.61 1xye h LYS 7 Cb 0.19 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1xye h LYS 7 CO -0.03 0.48 -0.36 1.15 -0.57 0.00 0.00 179.45 180.12 1xye h THR 8 N 0.73 1.31 -0.32 -0.16 2.02 -0.91 -1.42 112.91 114.16 1xye h THR 8 Ca 0.19 -1.56 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1xye h THR 8 Cb -0.06 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 1xye h THR 8 CO -0.04 0.49 0.11 0.78 0.37 0.00 0.00 175.52 177.23 1xye h ASN 9 N 0.37 0.46 -0.54 4.18 2.35 0.38 -1.78 115.58 121.00 1xye h ASN 9 Ca 0.02 -0.19 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 1xye h ASN 9 Cb 0.95 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.18 1xye h ASN 9 CO 0.08 0.53 0.32 0.58 -1.65 0.00 0.00 177.43 177.29 1xye h VAL 10 N 0.37 1.17 -0.30 2.81 2.07 -0.75 -0.74 116.25 120.87 1xye h VAL 10 Ca 0.10 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.25 1xye h VAL 10 Cb 0.22 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1xye h VAL 10 CO -0.01 0.17 0.16 0.11 0.02 0.00 0.00 177.57 178.03 1xye h LYS 11 N 0.73 0.32 0.38 1.57 1.57 -1.20 -0.86 116.57 119.07 1xye h LYS 11 Ca 0.19 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1xye h LYS 11 Cb 0.00 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1xye h LYS 11 CO -0.04 0.21 -0.27 0.00 -0.57 0.00 0.00 179.45 178.79 1xye h ALA 12 N 1.14 -0.64 -0.36 3.86 0.00 -0.83 -1.14 119.26 121.29 1xye h ALA 12 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1xye h ALA 12 Cb 0.02 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 1xye h ALA 12 CO -0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 179.25 178.30 1xye h ALA 13 N -0.08 0.33 -0.43 0.00 0.00 -0.98 -2.24 119.26 115.86 1xye h ALA 13 Ca -0.03 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1xye h ALA 13 Cb 0.54 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 1xye h ALA 13 CO 0.01 -0.40 -0.14 2.35 0.00 0.00 0.00 179.25 181.07 1xye h TRP 14 N 0.10 0.89 -0.90 0.00 2.91 -1.04 -2.25 115.95 115.65 1xye h TRP 14 Ca 0.17 -0.18 0.16 0.00 1.13 0.00 0.00 58.89 60.18 1xye h TRP 14 Cb 0.24 -0.22 -0.10 0.00 -0.51 0.00 0.00 29.16 28.57 1xye h TRP 14 CO -0.25 0.89 0.50 0.78 -1.03 0.00 0.00 178.44 179.33 1xye h GLY 15 N 0.97 1.52 1.88 2.65 0.00 -0.59 0.17 103.07 109.66 1xye h GLY 15 Ca 0.11 -0.29 -0.10 0.00 0.00 0.00 0.00 47.33 47.05 1xye h GLY 15 CO 0.04 -0.04 -0.44 0.50 0.00 0.00 0.00 176.54 176.60 1xye h LYS 16 N 0.68 0.14 -0.87 4.80 1.79 -1.18 -2.49 116.57 119.44 1xye h LYS 16 Ca 0.50 -0.07 0.14 0.00 -2.18 0.00 0.00 60.65 59.05 1xye h LYS 16 Cb 0.72 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.28 1xye h LYS 16 CO -0.37 0.56 0.47 0.28 -1.08 0.00 0.00 179.45 179.31 1xye h VAL 17 N 0.11 0.75 0.00 0.50 2.07 -0.44 -3.44 116.25 115.80 1xye h VAL 17 Ca 0.01 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1xye h VAL 17 Cb 0.83 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1xye h VAL 17 CO 0.06 0.12 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1xye n GLY 18 N -1.33 2.98 0.04 2.17 0.00 -0.94 -1.12 105.19 107.00 1xye n GLY 18 Ca 0.17 0.06 0.16 0.00 0.00 0.00 0.00 46.02 46.41 1xye n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xye n ALA 19 N 9.63 2.68 1.60 4.61 0.00 -1.26 -3.11 120.51 134.66 1xye n ALA 19 Ca 0.00 -0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.36 1xye n ALA 19 Cb 0.00 -1.49 0.63 0.00 0.00 0.00 0.00 19.45 18.59 1xye n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xye n HIS 20 N -0.90 0.00 -0.26 0.00 8.25 -0.27 -4.52 115.22 117.51 1xye n HIS 20 Ca 0.24 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.63 1xye n HIS 20 Cb 0.13 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1xye n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xye h ALA 21 N 4.14 -0.20 -0.79 -1.41 0.00 -1.62 -1.19 119.26 118.19 1xye h ALA 21 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1xye h ALA 21 Cb 0.36 0.98 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 1xye h ALA 21 CO 0.00 -0.77 0.44 0.78 0.00 0.00 0.00 179.25 179.70 1xye h GLY 22 N -0.15 1.18 1.52 0.00 0.00 -1.85 -0.98 103.07 102.78 1xye h GLY 22 Ca 0.22 -0.53 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1xye h GLY 22 CO -0.77 0.51 0.09 0.83 0.00 0.00 0.00 176.54 177.20 1xye h GLU 23 N 1.10 0.61 0.03 4.80 5.08 -1.62 -1.47 114.58 123.11 1xye h GLU 23 Ca 0.28 -0.11 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 1xye h GLU 23 Cb 0.02 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1xye h GLU 23 CO -0.05 0.57 -1.00 1.88 -1.00 0.00 0.00 179.01 179.41 1xye h TYR 24 N 0.60 0.57 -0.48 4.33 0.05 -0.66 -2.23 116.97 119.15 1xye h TYR 24 Ca 0.14 -0.33 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 1xye h TYR 24 Cb 0.25 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.91 1xye h TYR 24 CO 0.01 1.17 0.21 0.78 -1.05 0.00 0.00 178.16 179.28 1xye h GLY 25 N 1.33 0.76 1.05 3.88 0.00 -0.84 0.58 103.07 109.82 1xye h GLY 25 Ca -0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.80 1xye h GLY 25 CO 0.17 0.38 0.33 0.00 0.00 0.00 0.00 176.54 177.42 1xye h ALA 26 N 1.05 1.05 -0.28 3.60 0.00 -1.35 -1.62 119.26 121.71 1xye h ALA 26 Ca 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xye h ALA 26 Cb 0.16 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xye h ALA 26 CO -0.02 0.67 0.11 1.49 0.00 0.00 0.00 179.25 181.51 1xye h GLU 27 N 1.18 0.42 -0.83 0.00 4.81 -0.97 -1.09 114.58 118.10 1xye h GLU 27 Ca 0.27 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1xye h GLU 27 Cb 0.20 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.47 1xye h GLU 27 CO -0.02 0.45 0.48 0.00 -0.73 0.00 0.00 179.01 179.18 1xye h ALA 28 N 0.96 1.29 -0.37 2.92 0.00 -0.79 -0.58 119.26 122.69 1xye h ALA 28 Ca 0.09 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xye h ALA 28 Cb 0.18 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xye h ALA 28 CO -0.01 0.60 0.07 -0.07 0.00 0.00 0.00 179.25 179.84 1xye h LEU 29 N 1.15 0.57 -0.93 0.00 3.38 -1.08 -1.42 115.31 116.97 1xye h LEU 29 Ca 0.30 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1xye h LEU 29 Cb -0.02 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1xye h LEU 29 CO -0.05 0.68 0.53 -0.08 0.09 0.00 0.00 178.44 179.61 1xye h GLU 30 N 0.45 1.28 -0.13 1.13 4.81 -0.76 -0.86 114.58 120.50 1xye h GLU 30 Ca 0.11 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 1xye h GLU 30 Cb 0.34 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1xye h GLU 30 CO 0.00 0.91 -0.39 0.00 -0.73 0.00 0.00 179.01 178.81 1xye h ARG 31 N 1.29 0.28 -0.08 1.92 3.08 -0.88 -2.99 114.38 116.99 1xye h ARG 31 Ca 0.33 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1xye h ARG 31 Cb -0.02 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 1xye h ARG 31 CO -0.06 0.63 -0.05 1.98 -1.07 0.00 0.00 179.97 181.40 1xye h MET 32 N 0.23 0.18 -0.91 0.04 4.05 -0.43 0.27 114.93 118.37 1xye h MET 32 Ca 0.02 -0.08 0.09 0.00 -0.28 0.00 0.00 59.70 59.45 1xye h MET 32 Cb 0.79 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 31.53 1xye h MET 32 CO 0.06 0.56 0.58 0.74 0.23 0.00 0.00 176.91 179.09 1xye h PHE 33 N -0.20 1.00 0.23 1.39 0.04 -1.20 0.28 116.94 118.47 1xye h PHE 33 Ca 0.02 0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.49 1xye h PHE 33 Cb 0.51 -0.32 0.03 0.00 2.20 0.00 0.00 35.95 38.37 1xye h PHE 33 CO 0.07 0.48 -1.44 -0.07 -0.60 0.00 0.00 178.31 176.75 1xye h LEU 34 N 0.94 0.76 -0.08 1.54 3.38 -1.48 -3.21 115.31 117.16 1xye h LEU 34 Ca 0.41 -0.93 -0.24 0.00 0.09 0.00 0.00 57.88 57.21 1xye h LEU 34 Cb 0.35 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xye h LEU 34 CO -0.17 1.68 -1.03 0.28 0.09 0.00 0.00 178.44 179.29 1xye h SER 35 N 0.06 0.56 -2.36 -0.43 0.02 -0.80 -3.39 113.55 107.21 1xye h SER 35 Ca -0.26 -0.48 -0.59 0.00 -0.84 0.00 0.00 61.79 59.62 1xye h SER 35 Cb 2.08 -0.17 -0.41 0.00 0.14 0.00 0.00 62.40 64.04 1xye h SER 35 CO 0.24 1.30 -0.78 0.49 -1.14 0.00 0.00 176.83 176.94 1xye n PHE 36 N -3.71 1.88 0.15 3.45 3.72 0.99 -4.99 117.46 118.95 1xye n PHE 36 Ca -0.08 -3.92 0.18 0.00 -0.05 0.00 0.00 57.45 53.59 1xye n PHE 36 Cb 0.89 -0.40 0.79 0.00 -0.94 0.00 0.00 39.48 39.81 1xye n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1xye h PRO 37 N 4.59 0.00 -0.01 -1.08 0.11 -1.72 0.31 132.00 134.20 1xye h PRO 37 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1xye h PRO 37 Cb 0.77 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.88 1xye h PRO 37 CO 0.65 0.00 0.09 1.79 -0.21 0.00 0.00 178.00 180.32 1xye h THR 38 N 0.00 0.06 0.00 -1.15 1.35 -1.92 -1.04 112.91 110.22 1xye h THR 38 Ca 0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.99 1xye h THR 38 Cb 0.69 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1xye h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1xye h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.25 -2.74 112.91 117.09 1xye h THR 39 Ca 0.01 -0.38 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 1xye h THR 39 Cb 0.18 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1xye h THR 39 CO -0.00 0.00 -0.15 0.11 -0.25 0.00 0.00 175.52 175.23 1xye h LYS 40 N 0.00 0.00 -0.03 4.72 1.57 -1.37 -2.83 116.57 118.63 1xye h LYS 40 Ca 0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1xye h LYS 40 Cb 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xye h LYS 40 CO 0.00 0.15 0.14 1.79 -0.57 0.00 0.00 179.45 180.96 1xye h THR 41 N 0.00 0.08 -0.00 -0.16 1.35 -1.68 0.09 112.91 112.59 1xye h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1xye h THR 41 Cb 0.44 0.86 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1xye h THR 41 CO 0.02 0.00 -0.11 0.00 -0.25 0.00 0.00 175.52 175.18 1xye n ALA 42 N -2.06 2.72 -2.67 6.62 0.00 -1.07 -4.14 120.51 119.91 1xye n ALA 42 Ca -0.02 -0.23 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1xye n ALA 42 Cb 0.21 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.32 1xye n ALA 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1xye n PHE 43 N -1.15 1.57 0.30 0.00 3.01 0.02 -4.89 117.46 116.32 1xye n PHE 43 Ca 0.12 -2.95 0.18 0.00 1.01 0.00 0.00 57.45 55.81 1xye n PHE 43 Cb 0.29 -0.33 0.90 0.00 -0.01 0.00 0.00 39.48 40.32 1xye n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xye h PRO 44 N 2.92 0.00 0.00 -1.08 0.13 -1.72 -2.38 132.00 129.88 1xye h PRO 44 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1xye h PRO 44 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xye h PRO 44 CO 0.57 0.04 -0.16 -2.39 -0.23 0.00 0.00 178.00 175.83 1xye n HIS 45 N -3.26 0.30 -3.17 1.56 1.44 -1.26 -4.90 115.22 105.93 1xye n HIS 45 Ca -0.01 0.09 -0.30 0.00 -2.01 0.00 0.00 57.72 55.49 1xye n HIS 45 Cb 0.20 -0.59 -0.04 0.00 0.12 0.00 0.00 29.99 29.69 1xye n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xye s PHE 46 N -3.05 3.46 -0.14 -1.40 0.40 -0.90 -5.04 117.98 111.32 1xye s PHE 46 Ca 0.12 0.84 -0.25 0.00 -0.60 0.00 0.00 56.93 57.04 1xye s PHE 46 Cb 0.16 -2.27 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1xye s PHE 46 CO 0.60 0.08 0.82 0.34 0.70 0.00 0.00 175.22 177.76 1xye s ASP 47 N -3.01 6.99 0.00 1.36 -1.08 -1.26 -4.93 116.67 114.73 1xye s ASP 47 Ca 0.47 1.21 0.16 0.00 -0.52 0.00 0.00 52.55 53.87 1xye s ASP 47 Cb -0.11 -2.45 0.29 0.00 -1.46 0.00 0.00 42.92 39.19 1xye s ASP 47 CO 0.29 -0.35 1.20 0.18 0.52 0.00 0.00 175.17 177.01 1xye n LEU 48 N 4.92 2.86 -4.63 -1.34 4.77 -1.26 -4.51 117.00 117.80 1xye n LEU 48 Ca 0.04 -1.52 -0.30 0.00 -0.03 0.00 0.00 56.01 54.19 1xye n LEU 48 Cb 0.49 -0.17 0.18 0.00 -2.33 0.00 0.00 43.42 41.59 1xye n LEU 48 CO 0.48 0.63 0.63 -0.94 -1.33 0.00 0.00 177.39 176.86 1xye s SER 49 N -1.16 2.54 0.30 -1.43 1.04 -1.26 -4.89 113.70 108.83 1xye s SER 49 Ca 0.26 1.80 -0.30 0.00 0.48 0.00 0.00 55.95 58.19 1xye s SER 49 Cb 0.15 -2.39 -0.12 0.00 0.10 0.00 0.00 66.02 63.76 1xye s SER 49 CO 0.21 -3.28 1.52 1.57 0.98 0.00 0.00 173.24 174.25 1xye n HIS 50 N -4.32 2.70 -0.85 5.02 -0.00 -1.26 -2.52 115.22 113.98 1xye n HIS 50 Ca 0.08 0.34 0.00 0.00 0.46 0.00 0.00 57.72 58.59 1xye n HIS 50 Cb 0.53 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.86 1xye n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xye n GLY 51 N 1.84 0.28 3.62 1.57 0.00 -1.26 -4.97 105.19 106.27 1xye n GLY 51 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 1xye n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xye n SER 52 N -0.32 0.23 0.20 1.61 3.41 -1.05 -4.88 113.62 112.82 1xye n SER 52 Ca 0.00 0.53 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 1xye n SER 52 Cb 0.16 -1.43 0.23 0.00 -0.26 0.00 0.00 64.21 62.91 1xye n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xye h ALA 53 N -1.08 0.89 -0.14 7.33 0.00 -1.92 -3.01 119.26 121.33 1xye h ALA 53 Ca -0.45 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.07 1xye h ALA 53 Cb 1.30 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.06 1xye h ALA 53 CO 0.43 0.29 -0.63 1.96 0.00 0.00 0.00 179.25 181.30 1xye h GLN 54 N 0.00 0.68 -0.14 0.00 4.20 -1.91 -2.21 115.11 115.72 1xye h GLN 54 Ca -0.00 -0.54 -0.01 0.00 0.06 0.00 0.00 58.65 58.16 1xye h GLN 54 Cb 1.04 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.92 1xye h GLN 54 CO 0.03 1.16 0.05 0.28 -0.67 0.00 0.00 178.83 179.68 1xye h VAL 55 N 0.36 1.16 -0.27 -0.54 2.07 -1.79 -0.19 116.25 117.05 1xye h VAL 55 Ca -0.04 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.06 1xye h VAL 55 Cb 1.26 1.22 -0.08 0.00 -1.52 0.00 0.00 31.29 32.17 1xye h VAL 55 CO 0.13 0.15 -0.35 0.11 0.02 0.00 0.00 177.57 177.63 1xye h LYS 56 N 0.07 -0.33 -0.84 1.57 1.57 -1.55 0.19 116.57 117.25 1xye h LYS 56 Ca 0.05 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1xye h LYS 56 Cb 0.18 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.53 1xye h LYS 56 CO -0.00 -0.22 0.43 0.78 -0.57 0.00 0.00 179.45 179.87 1xye h GLY 57 N -0.34 1.28 1.27 3.86 0.00 -1.16 -1.93 103.07 106.06 1xye h GLY 57 Ca 0.13 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.73 1xye h GLY 57 CO -0.46 0.58 -0.24 0.84 0.00 0.00 0.00 176.54 177.26 1xye h HIS 58 N 1.19 0.95 -0.71 5.60 -0.00 -0.24 -2.63 115.15 119.30 1xye h HIS 58 Ca 0.29 -0.23 0.08 0.00 -0.00 0.00 0.00 60.37 60.52 1xye h HIS 58 Cb 0.07 -0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 27.20 1xye h HIS 58 CO 0.01 0.98 0.37 0.78 -0.00 0.00 0.00 177.93 180.08 1xye h GLY 59 N 0.94 1.07 1.04 5.26 0.00 0.12 -0.72 103.07 110.78 1xye h GLY 59 Ca 0.09 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 1xye h GLY 59 CO 0.06 0.09 0.39 1.70 0.00 0.00 0.00 176.54 178.79 1xye h LYS 60 N 0.65 1.21 0.14 4.80 3.64 -1.24 0.89 116.57 126.66 1xye h LYS 60 Ca 0.34 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1xye h LYS 60 Cb 0.32 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1xye h LYS 60 CO -0.24 0.93 -0.07 0.87 -2.27 0.00 0.00 179.45 178.67 1xye h LYS 61 N 1.19 -0.18 -0.42 1.90 1.57 -0.82 -0.05 116.57 119.76 1xye h LYS 61 Ca 0.29 0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 1xye h LYS 61 Cb 0.13 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1xye h LYS 61 CO -0.03 0.02 0.16 0.28 -0.57 0.00 0.00 179.45 179.31 1xye h VAL 62 N -0.36 0.89 -0.85 0.50 2.07 -1.06 -1.39 116.25 116.05 1xye h VAL 62 Ca -0.02 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.39 1xye h VAL 62 Cb 0.29 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 1xye h VAL 62 CO 0.03 0.06 0.56 0.00 0.02 0.00 0.00 177.57 178.25 1xye h ALA 63 N 1.26 1.08 -0.62 1.67 0.00 -0.61 -1.16 119.26 120.88 1xye h ALA 63 Ca 0.19 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1xye h ALA 63 Cb 0.16 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1xye h ALA 63 CO -0.18 0.49 0.04 -0.44 0.00 0.00 0.00 179.25 179.15 1xye h ASP 64 N 1.15 1.03 -0.30 0.00 3.32 -0.55 -1.41 116.42 119.66 1xye h ASP 64 Ca 0.31 -0.27 -0.04 0.00 0.02 0.00 0.00 57.03 57.05 1xye h ASP 64 Cb -0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.12 1xye h ASP 64 CO -0.07 1.06 0.07 0.00 -1.72 0.00 0.00 179.24 178.59 1xye h ALA 65 N 1.05 1.42 -0.39 3.45 0.00 -0.76 -0.59 119.26 123.45 1xye h ALA 65 Ca 0.18 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1xye h ALA 65 Cb 0.51 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xye h ALA 65 CO 0.02 0.42 0.02 -0.07 0.00 0.00 0.00 179.25 179.65 1xye h LEU 66 N 0.55 0.65 -0.84 0.00 3.38 -0.83 -1.57 115.31 116.65 1xye h LEU 66 Ca 0.13 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.86 1xye h LEU 66 Cb 0.24 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1xye h LEU 66 CO -0.00 0.78 0.53 0.74 0.09 0.00 0.00 178.44 180.58 1xye h THR 67 N 0.50 1.07 -0.92 0.22 2.02 -1.01 -1.33 112.91 113.46 1xye h THR 67 Ca 0.11 -0.34 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1xye h THR 67 Cb 0.43 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.80 1xye h THR 67 CO 0.02 0.18 0.55 -1.13 0.37 0.00 0.00 175.52 175.51 1xye h ASN 68 N 0.98 1.10 0.23 4.18 -1.24 -0.83 -1.88 115.58 118.13 1xye h ASN 68 Ca 0.36 -0.07 -0.15 0.00 0.71 0.00 0.00 56.30 57.15 1xye h ASN 68 Cb 0.11 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 1xye h ASN 68 CO -0.15 0.85 -0.57 0.00 -1.29 0.00 0.00 177.43 176.27 1xye h ALA 69 N 1.34 0.81 -0.43 1.57 0.00 -0.35 -1.67 119.26 120.53 1xye h ALA 69 Ca 0.33 -0.52 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 1xye h ALA 69 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xye h ALA 69 CO -0.06 0.70 -0.22 0.28 0.00 0.00 0.00 179.25 179.95 1xye h VAL 70 N 0.27 1.27 0.00 0.00 2.07 -1.00 -0.69 116.25 118.17 1xye h VAL 70 Ca 0.00 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.12 1xye h VAL 70 Cb 1.08 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1xye h VAL 70 CO 0.10 0.46 -0.19 0.00 0.02 0.00 0.00 177.57 177.96 1xye h ALA 71 N 0.98 1.05 -0.44 1.67 0.00 -1.17 -3.15 119.26 118.20 1xye h ALA 71 Ca 0.10 -0.17 -0.30 0.00 0.00 0.00 0.00 54.91 54.54 1xye h ALA 71 Cb 0.77 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.31 1xye h ALA 71 CO 0.06 0.23 -0.50 0.72 0.00 0.00 0.00 179.25 179.77 1xye n HIS 72 N -3.39 1.54 0.29 0.00 8.25 -0.64 -4.84 115.22 116.43 1xye n HIS 72 Ca -0.00 -1.91 0.15 0.00 -0.26 0.00 0.00 57.72 55.70 1xye n HIS 72 Cb 0.39 -0.39 0.89 0.00 1.12 0.00 0.00 29.99 31.99 1xye n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xye h VAL 73 N 1.51 0.49 -0.00 1.59 3.04 -1.08 0.93 116.25 122.72 1xye h VAL 73 Ca 0.23 -0.16 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1xye h VAL 73 Cb 1.33 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1xye h VAL 73 CO 0.48 0.04 -0.12 0.47 -1.01 0.00 0.00 177.57 177.43 1xye n ASP 74 N -3.71 0.43 -2.54 3.17 8.00 -1.26 -4.23 116.55 116.41 1xye n ASP 74 Ca -0.03 -0.49 -0.00 0.00 0.71 0.00 0.00 54.79 54.99 1xye n ASP 74 Cb 0.13 -0.09 0.06 0.00 -0.02 0.00 0.00 41.12 41.20 1xye n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xye n ASP 75 N -1.02 0.83 -0.06 -2.24 2.03 0.28 -4.98 116.55 111.38 1xye n ASP 75 Ca 0.14 -2.05 -0.07 0.00 0.52 0.00 0.00 54.79 53.32 1xye n ASP 75 Cb 0.28 -0.21 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 1xye n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xye h MET 76 N 1.97 0.07 -0.84 -0.67 2.86 -1.62 -1.99 114.93 114.70 1xye h MET 76 Ca -0.23 -0.00 0.16 0.00 -2.06 0.00 0.00 59.70 57.57 1xye h MET 76 Cb 1.37 -0.01 -0.10 0.00 0.06 0.00 0.00 31.60 32.92 1xye h MET 76 CO 0.08 0.04 0.41 -1.35 1.06 0.00 0.00 176.91 177.16 1xye h PRO 77 N 0.07 0.55 -0.08 -0.22 0.11 -1.94 0.55 132.00 131.03 1xye h PRO 77 Ca 0.12 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 66.06 1xye h PRO 77 Cb 0.16 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.16 1xye h PRO 77 CO -0.21 0.36 -0.48 -0.91 -0.21 0.00 0.00 178.00 176.55 1xye h ASN 78 N 0.56 0.56 0.36 -2.05 4.21 -1.83 -2.36 115.58 115.04 1xye h ASN 78 Ca 0.47 -0.66 -0.04 0.00 1.21 0.00 0.00 56.30 57.28 1xye h ASN 78 Cb 0.71 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 1xye h ASN 78 CO -0.39 1.13 -0.21 0.00 -1.29 0.00 0.00 177.43 176.67 1xye h ALA 79 N 0.44 1.39 -0.49 -0.83 0.00 -0.61 -2.58 119.26 116.58 1xye h ALA 79 Ca -0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xye h ALA 79 Cb 1.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xye h ALA 79 CO 0.10 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.89 1xye n LEU 80 N -3.90 3.74 -0.06 0.00 4.77 0.10 -4.73 117.00 116.91 1xye n LEU 80 Ca -0.02 -2.26 -0.07 0.00 -0.03 0.00 0.00 56.01 53.63 1xye n LEU 80 Cb 0.30 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1xye n LEU 80 CO 0.34 0.80 0.73 0.77 -1.33 0.00 0.00 177.39 178.70 1xye h SER 81 N 2.96 -0.63 -0.91 -1.43 4.64 -1.00 0.89 113.55 118.08 1xye h SER 81 Ca 0.00 0.13 0.08 0.00 -0.47 0.00 0.00 61.79 61.53 1xye h SER 81 Cb 1.07 0.31 -0.06 0.00 -0.31 0.00 0.00 62.40 63.41 1xye h SER 81 CO 0.09 -0.23 0.59 0.00 -0.87 0.00 0.00 176.83 176.41 1xye h ALA 82 N 0.96 1.57 -0.03 5.18 0.00 -1.85 0.12 119.26 125.21 1xye h ALA 82 Ca 0.14 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 1xye h ALA 82 Cb 0.40 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xye h ALA 82 CO -0.37 0.26 -0.72 -0.07 0.00 0.00 0.00 179.25 178.35 1xye h LEU 83 N 0.96 0.23 -0.50 0.00 3.38 -1.69 -0.11 115.31 117.58 1xye h LEU 83 Ca 0.41 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 1xye h LEU 83 Cb 0.32 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1xye h LEU 83 CO -0.17 0.87 0.06 -1.28 0.09 0.00 0.00 178.44 178.01 1xye h SER 84 N 0.13 0.82 -0.25 -0.43 0.87 -0.06 -1.33 113.55 113.29 1xye h SER 84 Ca -0.02 -0.28 -0.05 0.00 -1.23 0.00 0.00 61.79 60.22 1xye h SER 84 Cb 1.28 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1xye h SER 84 CO 0.11 0.89 -0.02 0.44 -0.53 0.00 0.00 176.83 177.72 1xye h ASP 85 N 0.72 0.46 -0.35 6.23 3.32 -0.70 -2.52 116.42 123.58 1xye h ASP 85 Ca 0.15 -0.33 0.04 0.00 0.02 0.00 0.00 57.03 56.92 1xye h ASP 85 Cb 0.44 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 1xye h ASP 85 CO 0.01 0.67 0.11 0.25 -1.72 0.00 0.00 179.24 178.56 1xye h LEU 86 N 0.23 0.09 -0.38 1.55 5.85 -0.86 -1.52 115.31 120.27 1xye h LEU 86 Ca 0.07 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1xye h LEU 86 Cb 0.45 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1xye h LEU 86 CO 0.02 0.09 0.05 0.45 -0.34 0.00 0.00 178.44 178.70 1xye h HIS 87 N 0.24 0.69 -0.18 1.25 3.86 -1.24 -2.13 115.15 117.65 1xye h HIS 87 Ca 0.16 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 59.10 1xye h HIS 87 Cb 0.15 -0.19 -0.00 0.00 1.06 0.00 0.00 27.41 28.43 1xye h HIS 87 CO -0.16 0.70 -0.60 0.00 0.86 0.00 0.00 177.93 178.72 1xye h ALA 88 N 0.91 0.60 0.00 2.45 0.00 -1.32 0.39 119.26 122.29 1xye h ALA 88 Ca 0.11 -0.54 -0.17 0.00 0.00 0.00 0.00 54.91 54.31 1xye h ALA 88 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1xye h ALA 88 CO 0.01 0.70 -2.08 0.72 0.00 0.00 0.00 179.25 178.60 1xye n HIS 89 N -3.94 0.00 -0.02 0.00 8.25 -0.58 -4.58 115.22 114.35 1xye n HIS 89 Ca -0.04 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.38 1xye n HIS 89 Cb 0.64 -0.68 -0.01 0.00 1.12 0.00 0.00 29.99 31.06 1xye n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xye n LYS 90 N -2.44 0.23 -0.04 -0.41 4.81 -0.84 -4.85 118.16 114.63 1xye n LYS 90 Ca -0.17 0.09 -0.15 0.00 -0.87 0.00 0.00 58.31 57.21 1xye n LYS 90 Cb 0.81 -0.89 -0.09 0.00 0.02 0.00 0.00 35.03 34.89 1xye n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xye h LEU 91 N -0.44 0.43 -1.63 3.14 3.38 -1.50 -3.48 115.31 115.22 1xye h LEU 91 Ca 0.00 -0.61 -0.38 0.00 0.09 0.00 0.00 57.88 56.98 1xye h LEU 91 Cb 0.44 -0.13 0.10 0.00 0.09 0.00 0.00 40.66 41.17 1xye h LEU 91 CO 0.00 0.97 -0.79 0.54 0.09 0.00 0.00 178.44 179.25 1xye n ARG 92 N -4.42 -5.86 -2.44 1.13 1.74 0.14 -4.94 116.66 102.01 1xye n ARG 92 Ca -0.08 0.73 -0.40 0.00 -0.77 0.00 0.00 57.85 57.33 1xye n ARG 92 Cb 0.49 -5.53 -0.04 0.00 -1.02 0.00 0.00 32.46 26.36 1xye n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xye s VAL 93 N -3.50 3.44 0.11 1.55 1.01 -1.26 -4.96 120.40 116.80 1xye s VAL 93 Ca 0.07 1.43 -0.31 0.00 0.00 0.00 0.00 61.98 63.17 1xye s VAL 93 Cb -0.03 -3.91 -0.09 0.00 0.00 0.00 0.00 36.38 32.35 1xye s VAL 93 CO 0.77 0.33 1.60 -0.62 0.00 0.00 0.00 175.10 177.18 1xye s ASP 94 N -0.74 6.61 0.55 3.32 -1.08 -1.26 -4.86 116.67 119.20 1xye s ASP 94 Ca 0.46 2.53 0.43 0.00 -0.52 0.00 0.00 52.55 55.45 1xye s ASP 94 Cb -0.33 -2.58 1.64 0.00 -1.46 0.00 0.00 42.92 40.20 1xye s ASP 94 CO 0.41 -0.84 1.68 -0.65 0.52 0.00 0.00 175.17 176.29 1xye h PRO 95 N 7.56 0.01 0.00 4.34 0.11 -2.00 0.11 132.00 142.12 1xye h PRO 95 Ca -0.43 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1xye h PRO 95 Cb 1.20 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xye h PRO 95 CO 0.92 0.01 0.00 0.28 -0.21 0.00 0.00 178.00 178.99 1xye h VAL 96 N 0.01 0.00 0.00 3.15 2.07 -2.04 -2.53 116.25 116.91 1xye h VAL 96 Ca 0.77 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 68.05 1xye h VAL 96 Cb 3.04 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 33.95 1xye h VAL 96 CO -0.03 0.00 -0.09 0.59 0.02 0.00 0.00 177.57 178.06 1xye n ASN 97 N -2.88 0.77 -0.01 0.57 5.03 0.37 -3.52 115.26 115.60 1xye n ASN 97 Ca -0.01 0.50 -0.08 0.00 0.87 0.00 0.00 54.58 55.87 1xye n ASN 97 Cb 0.18 -0.64 0.09 0.00 -1.02 0.00 0.00 39.78 38.39 1xye n ASN 97 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1xye h PHE 98 N 0.00 0.68 -0.69 3.10 -1.00 -1.63 -2.05 116.94 115.35 1xye h PHE 98 Ca 0.00 -0.21 -0.04 0.00 2.81 0.00 0.00 57.97 60.53 1xye h PHE 98 Cb 0.73 -0.14 -0.03 0.00 3.61 0.00 0.00 35.95 40.12 1xye h PHE 98 CO 0.00 0.91 0.28 0.87 -1.61 0.00 0.00 178.31 178.76 1xye h LYS 99 N 0.46 1.01 -0.16 1.51 1.57 -1.74 -0.22 116.57 119.00 1xye h LYS 99 Ca 0.03 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1xye h LYS 99 Cb 0.96 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1xye h LYS 99 CO 0.09 0.81 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.39 1xye h LEU 100 N 0.99 0.55 -0.84 2.94 3.38 -1.57 -2.10 115.31 118.65 1xye h LEU 100 Ca 0.23 -0.56 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1xye h LEU 100 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1xye h LEU 100 CO -0.02 1.01 -0.25 0.25 0.09 0.00 0.00 178.44 179.51 1xye h LEU 101 N 0.12 0.58 0.18 1.67 5.85 -1.26 -2.45 115.31 120.01 1xye h LEU 101 Ca 0.00 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1xye h LEU 101 Cb 0.92 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1xye h LEU 101 CO 0.07 0.82 -0.10 0.28 -0.34 0.00 0.00 178.44 179.18 1xye h SER 102 N 0.51 -0.24 -0.61 1.25 0.02 -0.91 -1.17 113.55 112.39 1xye h SER 102 Ca 0.07 0.01 0.12 0.00 -0.84 0.00 0.00 61.79 61.15 1xye h SER 102 Cb 0.71 0.07 -0.09 0.00 0.14 0.00 0.00 62.40 63.22 1xye h SER 102 CO 0.05 -0.16 0.09 -0.74 -1.14 0.00 0.00 176.83 174.93 1xye h HIS 103 N -0.26 0.13 0.00 3.45 -0.00 -1.26 -1.45 115.15 115.76 1xye h HIS 103 Ca -0.02 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 1xye h HIS 103 Cb 0.21 0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 1xye h HIS 103 CO -0.07 -0.08 -0.03 0.00 -0.00 0.00 0.00 177.93 177.75 1xye h LEU 105 N 0.00 0.08 -0.29 0.00 -0.00 -0.21 -2.20 115.31 112.70 1xye h LEU 105 Ca -0.00 -0.09 -0.20 0.00 -0.00 0.00 0.00 57.88 57.59 1xye h LEU 105 Cb 0.37 -0.03 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1xye h LEU 105 CO 0.00 1.06 -0.77 -0.07 -0.00 0.00 0.00 178.44 178.67 1xye h LEU 106 N 0.02 0.68 -0.79 1.67 3.38 -0.36 -1.17 115.31 118.74 1xye h LEU 106 Ca -0.03 -0.45 -0.10 0.00 0.09 0.00 0.00 57.88 57.38 1xye h LEU 106 Cb 1.80 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.33 1xye h LEU 106 CO 0.14 1.22 -0.14 0.58 0.09 0.00 0.00 178.44 180.33 1xye h VAL 107 N 0.38 1.26 -0.33 1.22 2.07 -1.26 0.37 116.25 119.97 1xye h VAL 107 Ca -0.04 -1.21 -0.12 0.00 0.82 0.00 0.00 66.70 66.14 1xye h VAL 107 Cb 1.37 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1xye h VAL 107 CO 0.14 0.41 -0.29 0.74 0.02 0.00 0.00 177.57 178.59 1xye h THR 108 N 0.68 1.28 -0.01 2.57 2.02 -1.26 -1.72 112.91 116.47 1xye h THR 108 Ca 0.11 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.86 1xye h THR 108 Cb 0.63 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.38 1xye h THR 108 CO 0.04 0.46 -0.03 -0.07 0.37 0.00 0.00 175.52 176.30 1xye h LEU 109 N 0.59 0.05 -1.47 2.58 3.38 -0.93 -2.84 115.31 116.68 1xye h LEU 109 Ca 0.07 -0.57 0.25 0.00 0.09 0.00 0.00 57.88 57.72 1xye h LEU 109 Cb 0.80 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.45 1xye h LEU 109 CO 0.07 0.61 0.66 0.00 0.09 0.00 0.00 178.44 179.86 1xye h ALA 110 N 0.44 2.29 0.00 1.53 0.00 -0.80 -0.20 119.26 122.53 1xye h ALA 110 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1xye h ALA 110 Cb 0.60 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1xye h ALA 110 CO 0.01 -0.64 -0.50 0.00 0.00 0.00 0.00 179.25 178.11 1xye h ALA 111 N 1.60 0.82 0.00 0.00 0.00 -1.22 -3.26 119.26 117.20 1xye h ALA 111 Ca 0.54 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xye h ALA 111 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xye h ALA 111 CO -0.23 0.63 -1.06 0.72 0.00 0.00 0.00 179.25 179.31 1xye n HIS 112 N -3.43 0.00 -3.13 0.00 -0.00 -0.30 -4.73 115.22 103.63 1xye n HIS 112 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.51 1xye n HIS 112 Cb 0.63 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.99 30.46 1xye n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xye n LEU 113 N -1.60 1.98 0.01 2.41 4.77 -0.24 -4.96 117.00 119.37 1xye n LEU 113 Ca 0.01 -5.20 -0.11 0.00 -0.03 0.00 0.00 56.01 50.68 1xye n LEU 113 Cb 0.28 0.28 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 1xye n LEU 113 CO 0.30 2.28 0.86 1.55 -1.33 0.00 0.00 177.39 181.05 1xye h PRO 114 N 3.14 0.01 0.00 3.23 0.13 -1.81 -0.72 132.00 135.98 1xye h PRO 114 Ca 0.11 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1xye h PRO 114 Cb 0.81 -0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xye h PRO 114 CO 0.61 0.01 -0.15 0.00 -0.23 0.00 0.00 178.00 178.23 1xye h ALA 115 N 1.06 1.39 0.00 -0.56 0.00 -1.93 -2.92 119.26 116.30 1xye h ALA 115 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xye h ALA 115 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1xye h ALA 115 CO -0.06 0.19 -0.63 0.39 0.00 0.00 0.00 179.25 179.14 1xye n GLU 116 N -3.84 0.09 -2.53 0.00 4.71 -0.35 -4.54 120.64 114.17 1xye n GLU 116 Ca -0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.16 56.72 1xye n GLU 116 Cb 0.25 -1.54 0.01 0.00 -1.01 0.00 0.00 31.44 29.15 1xye n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xye n PHE 117 N -1.66 2.60 -1.75 -0.32 7.35 -0.73 -4.82 117.46 118.13 1xye n PHE 117 Ca 0.05 -2.68 -0.30 0.00 -0.76 0.00 0.00 57.45 53.76 1xye n PHE 117 Cb 0.36 -1.57 0.08 0.00 0.35 0.00 0.00 39.48 38.71 1xye n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xye s THR 118 N -1.79 2.83 0.39 -2.13 -4.23 -1.26 -4.79 115.64 104.66 1xye s THR 118 Ca 0.40 0.27 0.07 0.00 -1.18 0.00 0.00 61.69 61.24 1xye s THR 118 Cb 0.12 -3.16 0.28 0.00 1.34 0.00 0.00 72.50 71.07 1xye s THR 118 CO -0.01 -0.35 2.02 -0.65 -0.54 0.00 0.00 174.62 175.09 1xye h PRO 119 N -0.98 0.62 -0.12 3.99 0.11 -1.99 0.61 132.00 134.25 1xye h PRO 119 Ca -0.47 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 65.44 1xye h PRO 119 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1xye h PRO 119 CO 0.63 0.41 -0.64 0.00 -0.21 0.00 0.00 178.00 178.19 1xye h ALA 120 N 1.68 0.67 -0.04 -0.75 0.00 -1.97 -2.12 119.26 116.73 1xye h ALA 120 Ca 0.22 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.38 1xye h ALA 120 Cb 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xye h ALA 120 CO -0.06 0.72 -0.77 0.28 0.00 0.00 0.00 179.25 179.43 1xye h VAL 121 N 0.32 1.41 -0.27 0.00 2.07 -1.73 -2.04 116.25 116.01 1xye h VAL 121 Ca -0.01 -2.28 -0.01 0.00 0.82 0.00 0.00 66.70 65.22 1xye h VAL 121 Cb 1.19 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1xye h VAL 121 CO 0.11 0.68 0.12 -0.74 0.02 0.00 0.00 177.57 177.76 1xye h HIS 122 N 0.21 0.39 -0.24 1.57 6.17 -0.85 -1.72 115.15 120.68 1xye h HIS 122 Ca -0.04 -0.02 0.03 0.00 0.71 0.00 0.00 60.37 61.05 1xye h HIS 122 Cb 1.36 -0.12 -0.03 0.00 2.52 0.00 0.00 27.41 31.13 1xye h HIS 122 CO 0.04 0.38 0.04 0.00 0.71 0.00 0.00 177.93 179.10 1xye h ALA 123 N 0.98 0.24 -0.47 5.26 0.00 -1.27 -0.79 119.26 123.21 1xye h ALA 123 Ca 0.09 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1xye h ALA 123 Cb 0.14 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1xye h ALA 123 CO -0.01 -0.38 0.11 0.77 0.00 0.00 0.00 179.25 179.74 1xye h SER 124 N 0.14 0.72 -0.62 0.00 0.02 -1.18 -1.40 113.55 111.22 1xye h SER 124 Ca 0.11 -0.23 -0.07 0.00 -0.84 0.00 0.00 61.79 60.76 1xye h SER 124 Cb 0.11 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1xye h SER 124 CO -0.15 0.76 0.13 -0.07 -1.14 0.00 0.00 176.83 176.37 1xye h LEU 125 N 0.63 0.96 -0.74 5.07 3.38 -1.21 -0.04 115.31 123.38 1xye h LEU 125 Ca 0.15 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1xye h LEU 125 Cb 0.33 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xye h LEU 125 CO 0.00 0.96 0.49 -0.78 0.09 0.00 0.00 178.44 179.20 1xye h ASP 126 N 0.92 0.84 -0.70 -0.43 3.58 -0.86 -0.42 116.42 119.36 1xye h ASP 126 Ca 0.19 -0.02 -0.07 0.00 0.42 0.00 0.00 57.03 57.56 1xye h ASP 126 Cb 0.38 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 1xye h ASP 126 CO 0.01 0.61 0.19 0.11 -2.88 0.00 0.00 179.24 177.27 1xye h LYS 127 N 0.99 1.12 -0.12 0.28 1.57 -0.91 -1.39 116.57 118.10 1xye h LYS 127 Ca 0.27 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1xye h LYS 127 Cb -0.11 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.05 1xye h LYS 127 CO -0.06 0.97 -0.02 0.35 -0.57 0.00 0.00 179.45 180.13 1xye h PHE 128 N 1.07 0.26 -0.73 -1.35 3.57 -0.66 -1.85 116.94 117.24 1xye h PHE 128 Ca 0.22 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1xye h PHE 128 Cb 0.35 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1xye h PHE 128 CO 0.03 0.50 0.39 -0.07 -2.23 0.00 0.00 178.31 176.93 1xye h LEU 129 N -0.06 0.90 -1.26 0.59 3.38 -0.96 0.72 115.31 118.62 1xye h LEU 129 Ca 0.03 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1xye h LEU 129 Cb 0.41 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1xye h LEU 129 CO 0.01 0.73 0.12 0.00 0.09 0.00 0.00 178.44 179.38 1xye h ALA 130 N 1.42 1.41 0.01 1.53 0.00 -1.11 -0.53 119.26 121.99 1xye h ALA 130 Ca 0.26 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1xye h ALA 130 Cb 0.03 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.65 1xye h ALA 130 CO -0.04 0.43 -1.01 0.77 0.00 0.00 0.00 179.25 179.40 1xye h SER 131 N 0.61 0.74 -0.35 0.00 0.02 -0.08 -1.37 113.55 113.12 1xye h SER 131 Ca 0.14 -0.60 0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1xye h SER 131 Cb 0.21 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.49 1xye h SER 131 CO -0.01 1.40 0.11 0.58 -1.14 0.00 0.00 176.83 177.78 1xye h VAL 132 N 0.31 0.89 -0.63 2.27 2.07 -0.75 -1.16 116.25 119.25 1xye h VAL 132 Ca -0.11 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1xye h VAL 132 Cb 1.66 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1xye h VAL 132 CO 0.19 0.05 0.36 0.28 0.02 0.00 0.00 177.57 178.47 1xye h SER 133 N 0.25 0.57 -0.61 0.57 0.02 -0.93 -0.23 113.55 113.18 1xye h SER 133 Ca 0.16 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 1xye h SER 133 Cb 0.14 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1xye h SER 133 CO -0.17 0.38 0.41 0.74 -1.14 0.00 0.00 176.83 177.05 1xye h THR 134 N 0.70 1.15 -0.43 -2.27 2.02 -0.80 -1.40 112.91 111.88 1xye h THR 134 Ca 0.27 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1xye h THR 134 Cb 0.11 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.75 1xye h THR 134 CO -0.14 0.15 0.21 0.58 0.37 0.00 0.00 175.52 176.69 1xye h VAL 135 N 0.83 1.18 0.00 3.16 2.07 -0.46 -1.80 116.25 121.22 1xye h VAL 135 Ca 0.23 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1xye h VAL 135 Cb -0.09 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1xye h VAL 135 CO -0.05 0.19 0.00 0.18 0.02 0.00 0.00 177.57 177.91 1xye n LEU 136 N -4.67 0.38 -0.51 2.57 4.77 -0.17 -2.51 117.00 116.86 1xye n LEU 136 Ca 0.01 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.63 1xye n LEU 136 Cb 0.11 -0.54 0.12 0.00 -2.33 0.00 0.00 43.42 40.78 1xye n LEU 136 CO 0.36 -0.43 0.60 0.35 -1.33 0.00 0.00 177.39 176.95 1xye n THR 137 N -1.92 0.97 0.33 -5.08 -2.24 -0.60 -4.55 114.28 101.20 1xye n THR 137 Ca 0.03 -0.99 0.14 0.00 -2.27 0.00 0.00 64.05 60.96 1xye n THR 137 Cb 0.21 0.52 0.48 0.00 -2.10 0.00 0.00 70.33 69.44 1xye n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xye h SER 138 N 1.63 0.00 -0.32 3.42 4.64 -1.04 -3.10 113.55 118.78 1xye h SER 138 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1xye h SER 138 Cb 0.68 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.75 1xye h SER 138 CO 0.00 0.00 0.01 0.29 -0.87 0.00 0.00 176.83 176.26 1xye n LYS 139 N -2.81 2.99 0.25 4.77 5.02 -1.26 -4.67 118.16 122.44 1xye n LYS 139 Ca 0.02 -2.92 0.11 0.00 -2.02 0.00 0.00 58.31 53.50 1xye n LYS 139 Cb 0.36 -1.90 0.62 0.00 -0.02 0.00 0.00 35.03 34.10 1xye n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xye h TYR 140 N 1.91 0.00 0.00 2.13 -1.99 -1.87 -3.46 116.97 113.69 1xye h TYR 140 Ca 0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.77 1xye h TYR 140 Cb 1.57 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.30 1xye h TYR 140 CO 0.65 0.17 0.00 2.89 -0.00 0.00 0.00 178.16 181.87