#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxt s LEU 2 N 0.00 4.33 0.64 7.52 1.43 -1.26 -5.04 118.68 126.30 1xxt s LEU 2 Ca 0.00 1.75 -0.07 0.00 -1.03 0.00 0.00 54.13 54.79 1xxt s LEU 2 Cb 0.00 -3.57 0.02 0.00 0.03 0.00 0.00 46.19 42.68 1xxt s LEU 2 CO 0.00 -0.41 0.96 -0.94 0.23 0.00 0.00 176.35 176.19 1xxt s SER 3 N 1.13 5.36 0.28 2.29 1.04 -1.26 -4.87 113.70 117.67 1xxt s SER 3 Ca 0.54 0.71 -0.02 0.00 0.48 0.00 0.00 55.95 57.66 1xxt s SER 3 Cb -0.23 -1.58 0.43 0.00 0.10 0.00 0.00 66.02 64.73 1xxt s SER 3 CO 0.25 -1.25 1.91 -0.65 0.98 0.00 0.00 173.24 174.49 1xxt h PRO 4 N -0.36 1.12 -0.68 4.02 0.11 -2.00 -0.54 132.00 133.67 1xxt h PRO 4 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1xxt h PRO 4 Cb 1.27 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1xxt h PRO 4 CO 0.61 0.74 0.36 0.00 -0.21 0.00 0.00 178.00 179.51 1xxt h ALA 5 N 1.46 0.88 0.13 -0.75 0.00 -1.99 -2.04 119.26 116.95 1xxt h ALA 5 Ca 0.39 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xxt h ALA 5 Cb 0.07 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xxt h ALA 5 CO -0.13 0.40 -0.12 -0.44 0.00 0.00 0.00 179.25 178.97 1xxt h ASP 6 N 0.94 -0.31 -0.99 0.00 3.32 -1.69 0.20 116.42 117.90 1xxt h ASP 6 Ca 0.24 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.37 1xxt h ASP 6 Cb 0.06 0.11 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1xxt h ASP 6 CO -0.04 -0.18 0.64 0.11 -1.72 0.00 0.00 179.24 178.06 1xxt h LYS 7 N -0.27 1.16 0.15 3.56 1.57 -0.93 0.16 116.57 121.98 1xxt h LYS 7 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1xxt h LYS 7 Cb 0.25 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1xxt h LYS 7 CO -0.03 0.77 -0.07 1.15 -0.57 0.00 0.00 179.45 180.70 1xxt h THR 8 N 1.19 0.93 -0.46 -0.16 2.02 -1.02 -0.68 112.91 114.74 1xxt h THR 8 Ca 0.41 -0.36 0.08 0.00 0.77 0.00 0.00 66.41 67.32 1xxt h THR 8 Cb 0.11 1.15 -0.07 0.00 -1.74 0.00 0.00 68.15 67.60 1xxt h THR 8 CO -0.15 0.09 0.03 0.78 0.37 0.00 0.00 175.52 176.64 1xxt h ASN 9 N -0.38 -0.13 -0.25 4.18 2.35 0.03 0.70 115.58 122.09 1xxt h ASN 9 Ca -0.02 0.10 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1xxt h ASN 9 Cb 0.30 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1xxt h ASN 9 CO 0.03 -0.03 0.10 0.58 -1.65 0.00 0.00 177.43 176.47 1xxt h VAL 10 N 0.15 1.17 -0.37 2.81 2.07 -0.57 -1.45 116.25 120.06 1xxt h VAL 10 Ca 0.23 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.20 1xxt h VAL 10 Cb 0.33 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.12 1xxt h VAL 10 CO -0.36 0.17 0.01 0.11 0.02 0.00 0.00 177.57 177.52 1xxt h LYS 11 N 0.25 0.58 0.73 1.57 1.57 -0.74 -0.54 116.57 120.00 1xxt h LYS 11 Ca 0.08 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1xxt h LYS 11 Cb 0.17 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1xxt h LYS 11 CO -0.01 0.60 -0.35 0.00 -0.57 0.00 0.00 179.45 179.13 1xxt h ALA 12 N 1.46 -1.03 -0.43 3.86 0.00 -0.57 -0.90 119.26 121.65 1xxt h ALA 12 Ca 0.12 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.90 1xxt h ALA 12 Cb 0.35 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.43 1xxt h ALA 12 CO 0.01 -0.96 -0.11 0.00 0.00 0.00 0.00 179.25 178.20 1xxt h ALA 13 N -1.33 0.29 -0.02 0.00 0.00 -1.23 0.00 119.26 116.97 1xxt h ALA 13 Ca -0.10 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1xxt h ALA 13 Cb 0.75 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1xxt h ALA 13 CO 0.16 -0.45 -0.36 2.35 0.00 0.00 0.00 179.25 180.95 1xxt h TRP 14 N -0.00 0.04 -0.64 0.00 2.91 -1.17 -2.63 115.95 114.46 1xxt h TRP 14 Ca 0.21 -0.01 0.08 0.00 1.13 0.00 0.00 58.89 60.30 1xxt h TRP 14 Cb 0.32 -0.01 -0.06 0.00 -0.51 0.00 0.00 29.16 28.89 1xxt h TRP 14 CO -0.38 0.40 0.31 0.78 -1.03 0.00 0.00 178.44 178.52 1xxt h GLY 15 N 1.11 0.94 1.86 2.65 0.00 0.47 -1.30 103.07 108.79 1xxt h GLY 15 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.04 1xxt h GLY 15 CO 0.05 0.07 -0.40 0.50 0.00 0.00 0.00 176.54 176.76 1xxt h LYS 16 N 0.56 0.16 -0.12 4.80 1.79 -1.06 -3.21 116.57 119.48 1xxt h LYS 16 Ca 0.31 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.74 1xxt h LYS 16 Cb 0.29 -0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 30.89 1xxt h LYS 16 CO -0.24 0.54 -0.15 0.28 -1.08 0.00 0.00 179.45 178.81 1xxt h VAL 17 N 0.14 0.61 0.00 0.50 2.07 -1.03 -3.45 116.25 115.09 1xxt h VAL 17 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1xxt h VAL 17 Cb 0.77 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1xxt h VAL 17 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1xxt n GLY 18 N -1.29 3.03 0.02 2.17 0.00 -1.17 -1.93 105.19 106.01 1xxt n GLY 18 Ca -0.03 -0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1xxt n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xxt n ALA 19 N 9.38 1.05 1.09 4.61 0.00 -1.26 -2.16 120.51 133.22 1xxt n ALA 19 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1xxt n ALA 19 Cb 0.00 -1.05 0.15 0.00 0.00 0.00 0.00 19.45 18.55 1xxt n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xxt n HIS 20 N -1.59 0.00 -0.30 0.00 8.25 -0.81 -4.53 115.22 116.23 1xxt n HIS 20 Ca 0.00 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.60 1xxt n HIS 20 Cb 0.02 -0.07 0.30 0.00 1.12 0.00 0.00 29.99 31.36 1xxt n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xxt h ALA 21 N 3.61 1.36 -0.58 -1.41 0.00 -1.55 0.54 119.26 121.23 1xxt h ALA 21 Ca 0.00 0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.12 1xxt h ALA 21 Cb 0.60 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 1xxt h ALA 21 CO 0.00 -0.44 0.38 0.78 0.00 0.00 0.00 179.25 179.97 1xxt h GLY 22 N 0.27 0.81 1.11 0.00 0.00 -1.84 0.49 103.07 103.91 1xxt h GLY 22 Ca 0.56 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 47.50 1xxt h GLY 22 CO -0.61 0.30 0.02 0.83 0.00 0.00 0.00 176.54 177.08 1xxt h GLU 23 N 0.78 1.06 -0.33 4.80 5.08 -1.27 -0.14 114.58 124.56 1xxt h GLU 23 Ca 0.21 -0.32 -0.16 0.00 -1.00 0.00 0.00 59.36 58.09 1xxt h GLU 23 Cb -0.09 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1xxt h GLU 23 CO -0.05 1.02 -0.43 1.88 -1.00 0.00 0.00 179.01 180.44 1xxt h TYR 24 N 0.98 1.02 0.50 4.33 0.05 -0.71 -0.35 116.97 122.78 1xxt h TYR 24 Ca 0.18 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 1xxt h TYR 24 Cb 0.53 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1xxt h TYR 24 CO 0.04 1.12 -0.46 0.78 -1.05 0.00 0.00 178.16 178.59 1xxt h GLY 25 N 0.83 -1.13 0.18 3.88 0.00 0.35 0.41 103.07 107.59 1xxt h GLY 25 Ca 0.05 0.53 0.11 0.00 0.00 0.00 0.00 47.33 48.02 1xxt h GLY 25 CO 0.10 -0.36 0.14 0.00 0.00 0.00 0.00 176.54 176.42 1xxt h ALA 26 N -0.72 0.73 -0.38 3.60 0.00 -0.95 -2.08 119.26 119.47 1xxt h ALA 26 Ca -0.06 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 1xxt h ALA 26 Cb 0.82 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xxt h ALA 26 CO -0.04 -0.30 -0.12 1.49 0.00 0.00 0.00 179.25 180.28 1xxt h GLU 27 N 0.27 0.67 -0.55 0.00 4.81 -0.69 -1.69 114.58 117.41 1xxt h GLU 27 Ca 0.32 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 1xxt h GLU 27 Cb 0.48 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1xxt h GLU 27 CO -0.40 0.77 0.02 0.00 -0.73 0.00 0.00 179.01 178.67 1xxt h ALA 28 N 1.26 1.01 -0.14 2.92 0.00 -0.26 -1.10 119.26 122.95 1xxt h ALA 28 Ca 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1xxt h ALA 28 Cb 0.56 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1xxt h ALA 28 CO 0.04 0.61 0.04 -0.07 0.00 0.00 0.00 179.25 179.87 1xxt h LEU 29 N 0.85 0.20 -0.96 0.00 3.38 -1.07 0.27 115.31 118.00 1xxt h LEU 29 Ca 0.16 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1xxt h LEU 29 Cb 0.47 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 1xxt h LEU 29 CO 0.02 0.37 0.61 -0.08 0.09 0.00 0.00 178.44 179.45 1xxt h GLU 30 N 0.03 1.08 -0.47 1.13 4.81 -1.16 0.13 114.58 120.12 1xxt h GLU 30 Ca 0.04 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1xxt h GLU 30 Cb 0.25 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1xxt h GLU 30 CO -0.00 0.71 -0.08 0.00 -0.73 0.00 0.00 179.01 178.91 1xxt h ARG 31 N 1.11 0.84 -0.31 1.92 3.08 -0.91 -2.42 114.38 117.69 1xxt h ARG 31 Ca 0.42 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 60.14 1xxt h ARG 31 Cb 0.18 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 1xxt h ARG 31 CO -0.18 0.89 -0.01 1.98 -1.07 0.00 0.00 179.97 181.59 1xxt h MET 32 N 0.76 0.54 -0.96 0.04 4.05 0.84 -1.18 114.93 119.03 1xxt h MET 32 Ca 0.13 -0.18 0.02 0.00 -0.28 0.00 0.00 59.70 59.39 1xxt h MET 32 Cb 0.58 -0.05 -0.05 0.00 -0.80 0.00 0.00 31.60 31.28 1xxt h MET 32 CO 0.04 0.69 0.64 0.74 0.23 0.00 0.00 176.91 179.24 1xxt h PHE 33 N 0.34 1.20 0.04 1.39 0.04 -0.69 0.25 116.94 119.52 1xxt h PHE 33 Ca 0.09 0.03 -0.19 0.00 2.80 0.00 0.00 57.97 60.70 1xxt h PHE 33 Cb 0.45 -0.41 0.02 0.00 2.20 0.00 0.00 35.95 38.21 1xxt h PHE 33 CO 0.04 0.75 -0.75 -0.07 -0.60 0.00 0.00 178.31 177.67 1xxt h LEU 34 N 1.29 0.59 -0.01 1.54 3.38 -1.41 -3.19 115.31 117.49 1xxt h LEU 34 Ca 0.36 -0.81 -0.25 0.00 0.09 0.00 0.00 57.88 57.27 1xxt h LEU 34 Cb -0.12 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.45 1xxt h LEU 34 CO -0.09 1.33 -1.10 0.28 0.09 0.00 0.00 178.44 178.95 1xxt h SER 35 N -0.08 0.42 -2.60 -0.43 0.02 -1.07 -3.39 113.55 106.43 1xxt h SER 35 Ca -0.11 -0.40 -0.60 0.00 -0.84 0.00 0.00 61.79 59.84 1xxt h SER 35 Cb 1.48 -0.13 -0.40 0.00 0.14 0.00 0.00 62.40 63.49 1xxt h SER 35 CO 0.15 1.27 -0.81 0.49 -1.14 0.00 0.00 176.83 176.78 1xxt n PHE 36 N -3.61 0.95 0.31 3.45 3.01 0.88 -4.98 117.46 117.46 1xxt n PHE 36 Ca -0.07 -3.75 0.19 0.00 1.01 0.00 0.00 57.45 54.82 1xxt n PHE 36 Cb 0.94 -0.16 0.99 0.00 -0.01 0.00 0.00 39.48 41.24 1xxt n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xxt h PRO 37 N 5.35 0.00 0.00 -1.08 0.13 -1.71 -1.17 132.00 133.52 1xxt h PRO 37 Ca 0.21 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1xxt h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1xxt h PRO 37 CO 0.53 0.00 -0.07 1.79 -0.23 0.00 0.00 178.00 180.02 1xxt h THR 38 N 0.00 0.36 0.00 1.56 1.35 -1.91 -2.02 112.91 112.24 1xxt h THR 38 Ca 0.02 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1xxt h THR 38 Cb 0.36 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1xxt h THR 38 CO -0.00 0.07 0.00 0.71 -0.25 0.00 0.00 175.52 176.05 1xxt h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.53 -2.50 112.91 117.05 1xxt h THR 39 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 1xxt h THR 39 Cb 0.30 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1xxt h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1xxt h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.55 -2.92 116.57 118.39 1xxt h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xxt h LYS 40 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1xxt h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1xxt h THR 41 N 0.00 0.00 -0.02 -0.16 1.35 -1.64 -1.49 112.91 110.96 1xxt h THR 41 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1xxt h THR 41 Cb 0.31 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1xxt h THR 41 CO 0.00 0.00 -0.13 -1.22 -0.25 0.00 0.00 175.52 173.92 1xxt n TYR 42 N -2.95 0.00 -2.50 4.73 4.01 -1.10 -4.36 117.16 114.98 1xxt n TYR 42 Ca -0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.57 1xxt n TYR 42 Cb 0.11 -0.03 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1xxt n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xxt n PHE 43 N 0.23 2.16 0.27 -0.72 3.01 -0.56 -4.87 117.46 116.98 1xxt n PHE 43 Ca 0.15 -2.58 0.13 0.00 1.01 0.00 0.00 57.45 56.15 1xxt n PHE 43 Cb 0.43 -0.26 0.75 0.00 -0.01 0.00 0.00 39.48 40.40 1xxt n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xxt h PRO 44 N 2.60 0.00 -0.17 -1.08 0.13 -1.76 -2.09 132.00 129.63 1xxt h PRO 44 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1xxt h PRO 44 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1xxt h PRO 44 CO 0.58 0.10 0.00 -2.39 -0.23 0.00 0.00 178.00 176.06 1xxt n HIS 45 N -3.72 0.22 -4.11 1.56 1.44 -1.26 -4.89 115.22 104.46 1xxt n HIS 45 Ca -0.02 -0.11 -0.22 0.00 -2.01 0.00 0.00 57.72 55.35 1xxt n HIS 45 Cb 0.20 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.26 1xxt n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xxt s PHE 46 N -1.78 2.91 -0.40 -1.40 2.99 -0.79 -5.08 117.98 114.45 1xxt s PHE 46 Ca 0.29 -0.21 -0.18 0.00 0.00 0.00 0.00 56.93 56.83 1xxt s PHE 46 Cb 0.15 -1.44 0.01 0.00 0.00 0.00 0.00 43.02 41.75 1xxt s PHE 46 CO 0.23 0.47 0.51 0.34 -0.00 0.00 0.00 175.22 176.77 1xxt s ASP 47 N -3.82 6.26 -0.02 1.36 2.15 -1.26 -4.94 116.67 116.40 1xxt s ASP 47 Ca 0.34 -0.38 0.16 0.00 0.43 0.00 0.00 52.55 53.10 1xxt s ASP 47 Cb -0.06 -2.26 0.50 0.00 -0.30 0.00 0.00 42.92 40.79 1xxt s ASP 47 CO 0.24 -0.59 1.41 0.18 -0.17 0.00 0.00 175.17 176.23 1xxt n LEU 48 N 5.80 3.11 -4.75 -1.34 4.77 -1.26 -4.45 117.00 118.88 1xxt n LEU 48 Ca -0.05 -1.56 -0.35 0.00 -0.03 0.00 0.00 56.01 54.02 1xxt n LEU 48 Cb 0.48 -0.40 0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1xxt n LEU 48 CO 0.47 0.71 0.81 -0.94 -1.33 0.00 0.00 177.39 177.12 1xxt s SER 49 N -0.95 4.97 0.18 -1.43 1.04 -1.26 -4.91 113.70 111.33 1xxt s SER 49 Ca 0.37 2.31 -0.33 0.00 0.48 0.00 0.00 55.95 58.78 1xxt s SER 49 Cb 0.20 -2.59 -0.12 0.00 0.10 0.00 0.00 66.02 63.61 1xxt s SER 49 CO 0.24 -1.74 1.70 1.57 0.98 0.00 0.00 173.24 175.99 1xxt n HIS 50 N -1.98 2.58 -1.40 5.02 -0.00 -1.26 -1.67 115.22 116.52 1xxt n HIS 50 Ca 0.13 0.09 -0.07 0.00 0.46 0.00 0.00 57.72 58.32 1xxt n HIS 50 Cb 0.50 -2.64 -0.03 0.00 -0.12 0.00 0.00 29.99 27.71 1xxt n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xxt n GLY 51 N 3.84 0.76 3.76 1.57 0.00 -1.26 -5.00 105.19 108.86 1xxt n GLY 51 Ca 0.17 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 1xxt n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xxt s SER 52 N -2.87 6.90 0.50 1.61 1.04 -0.67 -4.89 113.70 115.32 1xxt s SER 52 Ca 0.00 2.54 0.23 0.00 0.48 0.00 0.00 55.95 59.20 1xxt s SER 52 Cb 0.00 -2.64 1.30 0.00 0.10 0.00 0.00 66.02 64.78 1xxt s SER 52 CO 0.00 -0.45 2.04 0.00 0.98 0.00 0.00 173.24 175.81 1xxt h ALA 53 N 3.94 1.42 -0.31 5.32 0.00 -1.90 0.49 119.26 128.21 1xxt h ALA 53 Ca -0.47 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.18 1xxt h ALA 53 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1xxt h ALA 53 CO 0.69 0.18 -0.26 1.96 0.00 0.00 0.00 179.25 181.81 1xxt h GLN 54 N 0.00 0.73 -0.30 0.00 4.20 -1.90 0.11 115.11 117.94 1xxt h GLN 54 Ca -0.00 -0.37 -0.09 0.00 0.06 0.00 0.00 58.65 58.25 1xxt h GLN 54 Cb 0.33 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 1xxt h GLN 54 CO 0.02 0.99 -0.16 0.28 -0.67 0.00 0.00 178.83 179.28 1xxt h VAL 55 N 0.49 1.29 0.24 -0.54 2.07 -1.58 -1.19 116.25 117.04 1xxt h VAL 55 Ca 0.06 -1.28 0.01 0.00 0.82 0.00 0.00 66.70 66.31 1xxt h VAL 55 Cb 0.83 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1xxt h VAL 55 CO 0.07 0.41 -0.30 0.11 0.02 0.00 0.00 177.57 177.88 1xxt h LYS 56 N 0.40 -0.57 -0.90 1.57 1.57 -0.82 0.23 116.57 118.05 1xxt h LYS 56 Ca 0.07 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.98 1xxt h LYS 56 Cb 0.70 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 33.06 1xxt h LYS 56 CO 0.05 -0.38 0.55 0.78 -0.57 0.00 0.00 179.45 179.88 1xxt h GLY 57 N -0.59 1.43 1.50 3.86 0.00 -0.76 -1.16 103.07 107.34 1xxt h GLY 57 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 47.33 46.82 1xxt h GLY 57 CO -0.10 0.18 -0.44 0.84 0.00 0.00 0.00 176.54 177.02 1xxt h HIS 58 N 0.92 0.66 -0.75 5.60 -0.00 -0.71 -2.48 115.15 118.39 1xxt h HIS 58 Ca 0.43 -0.20 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1xxt h HIS 58 Cb 0.36 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.60 1xxt h HIS 58 CO -0.03 0.89 0.47 0.78 -0.00 0.00 0.00 177.93 180.04 1xxt h GLY 59 N 1.07 1.07 0.79 5.26 0.00 0.61 -0.74 103.07 111.12 1xxt h GLY 59 Ca 0.03 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.95 1xxt h GLY 59 CO 0.08 0.41 -0.12 1.70 0.00 0.00 0.00 176.54 178.61 1xxt h LYS 60 N 1.01 -0.24 -0.59 4.80 3.64 -1.07 0.61 116.57 124.74 1xxt h LYS 60 Ca 0.27 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.77 1xxt h LYS 60 Cb -0.07 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 31.72 1xxt h LYS 60 CO -0.05 -0.16 0.16 0.87 -2.27 0.00 0.00 179.45 178.00 1xxt h LYS 61 N -0.25 0.30 -0.20 1.90 1.57 -0.97 0.64 116.57 119.56 1xxt h LYS 61 Ca 0.02 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1xxt h LYS 61 Cb 0.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xxt h LYS 61 CO -0.07 0.20 0.00 0.28 -0.57 0.00 0.00 179.45 179.30 1xxt h VAL 62 N 0.31 1.25 -0.03 0.50 2.07 -0.85 -2.63 116.25 116.88 1xxt h VAL 62 Ca 0.30 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.98 1xxt h VAL 62 Cb 0.42 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1xxt h VAL 62 CO -0.35 0.26 -0.12 0.00 0.02 0.00 0.00 177.57 177.38 1xxt h ALA 63 N 0.79 -0.11 -0.89 1.67 0.00 -0.20 -1.56 119.26 118.97 1xxt h ALA 63 Ca 0.06 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.14 1xxt h ALA 63 Cb 0.39 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.30 1xxt h ALA 63 CO 0.01 -0.60 0.48 -0.44 0.00 0.00 0.00 179.25 178.70 1xxt h ASP 64 N -0.18 0.61 -0.01 0.00 5.19 -0.87 0.59 116.42 121.74 1xxt h ASP 64 Ca 0.05 0.09 -0.11 0.00 -0.62 0.00 0.00 57.03 56.44 1xxt h ASP 64 Cb 0.25 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 1xxt h ASP 64 CO -0.14 0.26 -0.32 0.00 -3.12 0.00 0.00 179.24 175.92 1xxt h ALA 65 N 1.57 1.02 -0.52 3.45 0.00 -1.07 -1.00 119.26 122.71 1xxt h ALA 65 Ca 0.48 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1xxt h ALA 65 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xxt h ALA 65 CO -0.35 0.59 -0.13 -0.07 0.00 0.00 0.00 179.25 179.28 1xxt h LEU 66 N 0.41 1.01 0.04 0.00 3.38 0.03 -1.67 115.31 118.51 1xxt h LEU 66 Ca 0.05 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1xxt h LEU 66 Cb 0.76 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1xxt h LEU 66 CO 0.06 1.14 -0.11 0.74 0.09 0.00 0.00 178.44 180.36 1xxt h THR 67 N 0.89 0.73 -0.59 0.22 2.02 -0.77 -0.81 112.91 114.60 1xxt h THR 67 Ca 0.13 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.35 1xxt h THR 67 Cb 0.70 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1xxt h THR 67 CO 0.05 0.00 0.39 -1.13 0.37 0.00 0.00 175.52 175.21 1xxt h ASN 68 N -0.21 0.59 0.27 4.18 -1.24 -1.05 -1.10 115.58 117.02 1xxt h ASN 68 Ca 0.03 -0.01 -0.17 0.00 0.71 0.00 0.00 56.30 56.86 1xxt h ASN 68 Cb 0.24 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.15 1xxt h ASN 68 CO -0.08 0.41 -0.68 0.00 -1.29 0.00 0.00 177.43 175.79 1xxt h ALA 69 N 1.66 0.67 -0.38 1.57 0.00 -0.69 -1.70 119.26 120.40 1xxt h ALA 69 Ca 0.24 -0.58 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1xxt h ALA 69 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xxt h ALA 69 CO -0.07 0.75 -0.23 0.28 0.00 0.00 0.00 179.25 179.98 1xxt h VAL 70 N 0.26 1.28 -0.81 0.00 2.07 -0.52 0.03 116.25 118.57 1xxt h VAL 70 Ca -0.02 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.12 1xxt h VAL 70 Cb 1.23 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.31 1xxt h VAL 70 CO 0.11 0.46 0.48 0.00 0.02 0.00 0.00 177.57 178.64 1xxt h ALA 71 N 0.79 1.32 -0.89 1.67 0.00 -1.19 -2.88 119.26 118.08 1xxt h ALA 71 Ca 0.08 -0.10 -0.60 0.00 0.00 0.00 0.00 54.91 54.29 1xxt h ALA 71 Cb 0.79 -0.33 -0.38 0.00 0.00 0.00 0.00 17.79 17.87 1xxt h ALA 71 CO 0.06 0.58 -0.24 0.72 0.00 0.00 0.00 179.25 180.37 1xxt n HIS 72 N -4.37 2.95 0.01 0.00 8.25 -0.64 -4.78 115.22 116.64 1xxt n HIS 72 Ca 0.09 -2.53 0.21 0.00 -0.26 0.00 0.00 57.72 55.22 1xxt n HIS 72 Cb 0.07 -0.68 0.72 0.00 1.12 0.00 0.00 29.99 31.22 1xxt n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xxt h VAL 73 N 1.86 0.60 0.00 1.59 3.04 -0.76 0.66 116.25 123.24 1xxt h VAL 73 Ca 0.44 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 66.01 1xxt h VAL 73 Cb 1.22 0.69 -0.02 0.00 -2.01 0.00 0.00 31.29 31.18 1xxt h VAL 73 CO 1.04 0.00 -0.62 0.44 -1.01 0.00 0.00 177.57 177.42 1xxt h ASP 74 N 0.00 0.00 -0.64 3.17 3.32 -1.86 -3.37 116.42 117.04 1xxt h ASP 74 Ca 0.25 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.92 1xxt h ASP 74 Cb 1.09 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.23 1xxt h ASP 74 CO -0.00 0.57 -0.99 -0.67 -1.72 0.00 0.00 179.24 176.43 1xxt n ASP 75 N -3.22 2.97 -0.06 6.45 2.03 0.13 -4.96 116.55 119.88 1xxt n ASP 75 Ca 0.01 -2.79 -0.07 0.00 0.52 0.00 0.00 54.79 52.45 1xxt n ASP 75 Cb 0.77 -0.43 -0.01 0.00 -0.72 0.00 0.00 41.12 40.73 1xxt n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xxt h MET 76 N 2.47 -0.18 -1.01 -0.67 2.86 -1.49 0.19 114.93 117.11 1xxt h MET 76 Ca 0.07 0.01 0.24 0.00 -2.06 0.00 0.00 59.70 57.97 1xxt h MET 76 Cb 1.35 0.04 -0.11 0.00 0.06 0.00 0.00 31.60 32.94 1xxt h MET 76 CO 0.45 -0.12 0.63 -1.35 1.06 0.00 0.00 176.91 177.58 1xxt h PRO 77 N -0.18 0.53 0.16 -0.22 0.11 -1.93 0.20 132.00 130.67 1xxt h PRO 77 Ca 0.15 -0.03 -0.28 0.00 0.11 0.00 0.00 66.00 65.95 1xxt h PRO 77 Cb 0.41 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 31.42 1xxt h PRO 77 CO -0.39 0.35 -1.32 -0.91 -0.21 0.00 0.00 178.00 175.53 1xxt h ASN 78 N 0.55 0.54 0.27 -2.05 4.21 -1.72 -2.81 115.58 114.57 1xxt h ASN 78 Ca 0.61 -0.91 -0.04 0.00 1.21 0.00 0.00 56.30 57.16 1xxt h ASN 78 Cb 1.26 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.28 1xxt h ASN 78 CO -0.38 1.60 -0.20 0.00 -1.29 0.00 0.00 177.43 177.16 1xxt h ALA 79 N 0.06 1.53 -0.29 -0.83 0.00 0.66 -3.00 119.26 117.38 1xxt h ALA 79 Ca -0.26 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1xxt h ALA 79 Cb 1.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1xxt h ALA 79 CO 0.15 0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.93 1xxt n LEU 80 N -4.10 4.01 -0.12 0.00 4.77 0.57 -4.74 117.00 117.40 1xxt n LEU 80 Ca -0.02 -2.99 -0.05 0.00 -0.03 0.00 0.00 56.01 52.92 1xxt n LEU 80 Cb 0.27 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1xxt n LEU 80 CO 0.35 0.67 0.78 0.77 -1.33 0.00 0.00 177.39 178.64 1xxt h SER 81 N 1.99 -0.39 -0.69 -1.43 4.64 -1.35 -0.32 113.55 116.00 1xxt h SER 81 Ca 0.00 0.12 0.05 0.00 -0.47 0.00 0.00 61.79 61.50 1xxt h SER 81 Cb 1.47 0.25 -0.05 0.00 -0.31 0.00 0.00 62.40 63.76 1xxt h SER 81 CO 0.24 -0.14 0.39 0.00 -0.87 0.00 0.00 176.83 176.45 1xxt h ALA 82 N 1.37 0.92 -0.37 5.18 0.00 -1.86 -1.57 119.26 122.94 1xxt h ALA 82 Ca 0.19 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1xxt h ALA 82 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xxt h ALA 82 CO -0.41 0.09 -0.23 -0.07 0.00 0.00 0.00 179.25 178.63 1xxt h LEU 83 N 0.73 0.74 -0.98 0.00 4.07 -1.74 -0.71 115.31 117.41 1xxt h LEU 83 Ca 0.30 -0.27 -0.05 0.00 0.08 0.00 0.00 57.88 57.94 1xxt h LEU 83 Cb 0.16 -0.20 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 1xxt h LEU 83 CO -0.17 0.95 0.15 0.28 -1.08 0.00 0.00 178.44 178.57 1xxt h SER 84 N 0.64 0.83 0.65 -0.43 0.02 -0.46 -1.77 113.55 113.02 1xxt h SER 84 Ca 0.09 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.86 1xxt h SER 84 Cb 0.73 -0.22 0.01 0.00 0.14 0.00 0.00 62.40 63.06 1xxt h SER 84 CO 0.06 0.80 -0.31 0.44 -1.14 0.00 0.00 176.83 176.68 1xxt h ASP 85 N 0.86 -0.74 -0.40 3.07 3.32 -1.11 -1.36 116.42 120.07 1xxt h ASP 85 Ca 0.19 -0.02 0.08 0.00 0.02 0.00 0.00 57.03 57.31 1xxt h ASP 85 Cb 0.30 0.19 -0.09 0.00 0.22 0.00 0.00 39.33 39.95 1xxt h ASP 85 CO -0.00 -0.40 -0.27 0.25 -1.72 0.00 0.00 179.24 177.10 1xxt h LEU 86 N -1.08 -0.89 -0.54 1.55 5.85 -1.00 0.17 115.31 119.37 1xxt h LEU 86 Ca -0.09 0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1xxt h LEU 86 Cb 0.71 0.44 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1xxt h LEU 86 CO 0.15 -0.28 0.11 0.45 -0.34 0.00 0.00 178.44 178.52 1xxt h HIS 87 N -0.20 0.93 -0.30 1.25 3.86 -1.39 0.14 115.15 119.45 1xxt h HIS 87 Ca 0.19 -0.12 -0.15 0.00 -1.16 0.00 0.00 60.37 59.12 1xxt h HIS 87 Cb 0.49 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.71 1xxt h HIS 87 CO -0.49 0.82 -0.42 0.00 0.86 0.00 0.00 177.93 178.70 1xxt h ALA 88 N 1.00 0.45 0.00 2.45 0.00 -0.70 0.44 119.26 122.89 1xxt h ALA 88 Ca 0.17 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1xxt h ALA 88 Cb 0.38 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1xxt h ALA 88 CO 0.01 0.57 -1.84 0.72 0.00 0.00 0.00 179.25 178.71 1xxt n HIS 89 N -4.13 0.00 -0.01 0.00 8.25 0.57 -4.57 115.22 115.33 1xxt n HIS 89 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1xxt n HIS 89 Cb 0.55 -0.46 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 1xxt n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xxt n LYS 90 N -2.18 0.11 -0.02 -0.41 4.81 0.39 -4.86 118.16 116.00 1xxt n LYS 90 Ca -0.07 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.29 1xxt n LYS 90 Cb 0.55 -0.55 -0.07 0.00 0.02 0.00 0.00 35.03 34.98 1xxt n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xxt h LEU 91 N -0.21 0.13 -1.17 3.14 3.38 -1.34 -3.48 115.31 115.75 1xxt h LEU 91 Ca 0.00 -0.25 -0.45 0.00 0.09 0.00 0.00 57.88 57.27 1xxt h LEU 91 Cb 0.21 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.94 1xxt h LEU 91 CO 0.00 0.34 -0.77 0.54 0.09 0.00 0.00 178.44 178.65 1xxt n ARG 92 N -4.88 -5.74 -2.13 1.13 1.74 0.15 -4.94 116.66 102.00 1xxt n ARG 92 Ca -0.06 0.64 -0.41 0.00 -0.77 0.00 0.00 57.85 57.25 1xxt n ARG 92 Cb 0.16 -5.48 -0.03 0.00 -1.02 0.00 0.00 32.46 26.10 1xxt n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xxt s VAL 93 N -3.39 2.90 0.26 1.55 1.01 -1.26 -4.94 120.40 116.53 1xxt s VAL 93 Ca 0.48 0.79 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 1xxt s VAL 93 Cb -0.23 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 32.54 1xxt s VAL 93 CO 0.81 0.14 1.48 -0.62 0.00 0.00 0.00 175.10 176.91 1xxt s ASP 94 N 0.11 6.58 0.56 3.32 2.15 -1.26 -4.86 116.67 123.27 1xxt s ASP 94 Ca 0.55 2.74 0.31 0.00 0.43 0.00 0.00 52.55 56.59 1xxt s ASP 94 Cb -0.39 -2.63 1.47 0.00 -0.30 0.00 0.00 42.92 41.07 1xxt s ASP 94 CO 0.44 -0.76 1.85 -0.65 -0.17 0.00 0.00 175.17 175.88 1xxt h PRO 95 N 4.99 0.00 -0.02 4.34 0.11 -2.00 -1.76 132.00 137.66 1xxt h PRO 95 Ca -0.46 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1xxt h PRO 95 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1xxt h PRO 95 CO 0.78 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 178.83 1xxt h VAL 96 N 0.00 1.03 0.00 3.15 2.07 -2.03 -2.30 116.25 118.17 1xxt h VAL 96 Ca 0.39 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.76 1xxt h VAL 96 Cb 1.70 1.04 -0.00 0.00 -1.52 0.00 0.00 31.29 32.51 1xxt h VAL 96 CO -0.00 0.04 -0.14 0.78 0.02 0.00 0.00 177.57 178.26 1xxt h ASN 97 N 0.02 0.00 -0.27 0.57 4.21 -1.68 -2.92 115.58 115.51 1xxt h ASN 97 Ca 0.01 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.45 1xxt h ASN 97 Cb 0.06 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.24 1xxt h ASN 97 CO 0.00 0.14 -0.03 -0.26 -1.29 0.00 0.00 177.43 175.99 1xxt h PHE 98 N 0.00 0.66 -0.13 1.19 0.04 -1.59 -2.42 116.94 114.68 1xxt h PHE 98 Ca -0.00 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.62 1xxt h PHE 98 Cb 0.47 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1xxt h PHE 98 CO 0.00 0.65 -0.22 0.87 -0.60 0.00 0.00 178.31 179.01 1xxt h LYS 99 N 0.59 0.23 -0.09 1.51 1.57 -1.68 -1.30 116.57 117.40 1xxt h LYS 99 Ca 0.12 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1xxt h LYS 99 Cb 0.42 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1xxt h LYS 99 CO 0.02 0.44 -0.21 -0.07 -0.57 0.00 0.00 179.45 179.06 1xxt h LEU 100 N 0.21 0.34 -0.52 2.94 3.38 -1.54 -1.89 115.31 118.22 1xxt h LEU 100 Ca 0.04 -0.58 -0.06 0.00 0.09 0.00 0.00 57.88 57.37 1xxt h LEU 100 Cb 0.51 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xxt h LEU 100 CO 0.03 0.86 0.10 0.25 0.09 0.00 0.00 178.44 179.77 1xxt h LEU 101 N -0.17 0.82 0.08 1.67 6.46 -1.43 -2.40 115.31 120.35 1xxt h LEU 101 Ca -0.00 -0.25 0.02 0.00 -0.12 0.00 0.00 57.88 57.52 1xxt h LEU 101 Cb 0.81 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.50 1xxt h LEU 101 CO 0.05 0.87 -0.18 0.28 -0.62 0.00 0.00 178.44 178.83 1xxt h SER 102 N 0.75 -0.51 -0.50 1.25 0.02 -1.23 -0.68 113.55 112.64 1xxt h SER 102 Ca 0.16 0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.26 1xxt h SER 102 Cb 0.39 0.20 -0.07 0.00 0.14 0.00 0.00 62.40 63.06 1xxt h SER 102 CO 0.01 -0.26 0.11 -0.74 -1.14 0.00 0.00 176.83 174.81 1xxt h HIS 103 N -0.34 0.18 0.00 3.45 -0.00 -1.30 -1.30 115.15 115.84 1xxt h HIS 103 Ca 0.03 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1xxt h HIS 103 Cb 0.37 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1xxt h HIS 103 CO -0.19 0.00 -0.20 0.00 -0.00 0.00 0.00 177.93 177.55 1xxt h LEU 105 N 0.00 0.86 0.14 0.00 5.85 -0.26 -1.79 115.31 120.11 1xxt h LEU 105 Ca -0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 1xxt h LEU 105 Cb 0.36 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1xxt h LEU 105 CO 0.03 1.40 -0.07 -0.07 -0.34 0.00 0.00 178.44 179.39 1xxt h LEU 106 N 0.46 -0.16 -0.59 2.25 3.38 -0.63 -0.83 115.31 119.19 1xxt h LEU 106 Ca -0.07 -0.09 0.11 0.00 0.09 0.00 0.00 57.88 57.92 1xxt h LEU 106 Cb 1.48 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 42.19 1xxt h LEU 106 CO 0.17 -0.01 0.12 0.58 0.09 0.00 0.00 178.44 179.39 1xxt h VAL 107 N -0.29 0.64 -0.94 1.22 2.07 -1.17 0.27 116.25 118.04 1xxt h VAL 107 Ca -0.02 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1xxt h VAL 107 Cb 0.23 0.37 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1xxt h VAL 107 CO 0.03 0.05 0.62 0.74 0.02 0.00 0.00 177.57 179.03 1xxt h THR 108 N 0.25 1.24 -0.25 2.57 2.02 -1.14 -1.71 112.91 115.88 1xxt h THR 108 Ca 0.31 -0.44 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1xxt h THR 108 Cb 0.45 -0.14 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1xxt h THR 108 CO -0.40 0.23 -0.29 -0.07 0.37 0.00 0.00 175.52 175.37 1xxt h LEU 109 N 1.27 0.69 -0.28 2.58 3.38 0.46 -2.79 115.31 120.62 1xxt h LEU 109 Ca 0.35 -0.49 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1xxt h LEU 109 Cb -0.14 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.36 1xxt h LEU 109 CO -0.08 1.04 -0.07 0.00 0.09 0.00 0.00 178.44 179.42 1xxt h ALA 110 N 0.67 0.19 0.00 1.53 0.00 -0.22 0.25 119.26 121.68 1xxt h ALA 110 Ca 0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1xxt h ALA 110 Cb 0.86 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xxt h ALA 110 CO 0.07 -0.47 -0.06 0.00 0.00 0.00 0.00 179.25 178.79 1xxt h ALA 111 N 1.28 1.42 0.00 0.00 0.00 -1.32 -3.25 119.26 117.39 1xxt h ALA 111 Ca 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xxt h ALA 111 Cb 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1xxt h ALA 111 CO -0.29 0.07 -1.27 0.72 0.00 0.00 0.00 179.25 178.49 1xxt n HIS 112 N -3.76 0.00 -3.07 0.00 8.25 -0.73 -4.75 115.22 111.16 1xxt n HIS 112 Ca -0.02 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.19 1xxt n HIS 112 Cb 0.16 -0.17 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 1xxt n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1xxt n LEU 113 N -1.72 3.34 0.08 2.41 4.77 0.80 -4.96 117.00 121.72 1xxt n LEU 113 Ca -0.01 -5.45 -0.13 0.00 -0.03 0.00 0.00 56.01 50.39 1xxt n LEU 113 Cb 0.20 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 1xxt n LEU 113 CO 0.17 2.29 0.64 1.55 -1.33 0.00 0.00 177.39 180.71 1xxt h PRO 114 N 3.17 -0.50 -0.65 3.23 0.13 -1.79 -0.27 132.00 135.32 1xxt h PRO 114 Ca 0.13 0.03 0.03 0.00 -0.87 0.00 0.00 66.00 65.32 1xxt h PRO 114 Cb 0.65 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.85 1xxt h PRO 114 CO 0.73 -0.33 0.43 0.00 -0.23 0.00 0.00 178.00 178.60 1xxt h ALA 115 N 0.16 1.64 0.00 -0.56 0.00 -1.92 -2.96 119.26 115.60 1xxt h ALA 115 Ca 0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1xxt h ALA 115 Cb 0.58 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1xxt h ALA 115 CO -0.25 0.30 -0.52 0.93 0.00 0.00 0.00 179.25 179.71 1xxt h GLU 116 N 0.78 0.00 -2.55 0.00 3.07 -1.85 -3.40 114.58 110.63 1xxt h GLU 116 Ca 0.26 0.00 -0.70 0.00 -0.50 0.00 0.00 59.36 58.42 1xxt h GLU 116 Cb 0.07 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.86 1xxt h GLU 116 CO -0.07 0.00 2.22 0.34 -1.40 0.00 0.00 179.01 180.10 1xxt n PHE 117 N -2.21 2.43 -1.61 4.33 7.35 -0.16 -4.78 117.46 122.80 1xxt n PHE 117 Ca 0.03 -2.71 -0.30 0.00 -0.76 0.00 0.00 57.45 53.71 1xxt n PHE 117 Cb 0.45 -1.81 0.07 0.00 0.35 0.00 0.00 39.48 38.54 1xxt n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xxt s THR 118 N -1.07 3.43 0.25 -2.13 -4.23 -1.26 -4.76 115.64 105.87 1xxt s THR 118 Ca 0.56 0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 61.50 1xxt s THR 118 Cb 0.21 -3.25 0.22 0.00 1.34 0.00 0.00 72.50 71.03 1xxt s THR 118 CO -0.11 -0.61 1.76 -0.65 -0.54 0.00 0.00 174.62 174.48 1xxt h PRO 119 N -0.91 0.57 -0.25 3.99 0.11 -1.99 0.22 132.00 133.75 1xxt h PRO 119 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 1xxt h PRO 119 Cb 1.25 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1xxt h PRO 119 CO 0.59 0.38 -0.40 0.00 -0.21 0.00 0.00 178.00 178.36 1xxt h ALA 120 N 1.53 0.84 -0.17 -0.75 0.00 -1.97 -1.92 119.26 116.82 1xxt h ALA 120 Ca 0.43 -0.44 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1xxt h ALA 120 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1xxt h ALA 120 CO -0.35 0.65 -0.68 0.28 0.00 0.00 0.00 179.25 179.14 1xxt h VAL 121 N 0.48 1.31 -0.27 0.00 2.07 -1.63 -2.33 116.25 115.87 1xxt h VAL 121 Ca 0.04 -1.93 0.03 0.00 0.82 0.00 0.00 66.70 65.66 1xxt h VAL 121 Cb 0.91 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.55 1xxt h VAL 121 CO 0.08 0.61 0.10 -0.74 0.02 0.00 0.00 177.57 177.63 1xxt h HIS 122 N 0.48 0.18 -0.23 1.57 6.17 -0.49 -0.33 115.15 122.50 1xxt h HIS 122 Ca -0.02 0.01 0.03 0.00 0.71 0.00 0.00 60.37 61.10 1xxt h HIS 122 Cb 1.28 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 31.14 1xxt h HIS 122 CO 0.07 0.08 0.04 0.00 0.71 0.00 0.00 177.93 178.83 1xxt h ALA 123 N 1.17 0.23 0.01 5.26 0.00 -1.28 -1.47 119.26 123.18 1xxt h ALA 123 Ca 0.12 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xxt h ALA 123 Cb 0.08 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1xxt h ALA 123 CO -0.12 -0.38 -0.01 0.77 0.00 0.00 0.00 179.25 179.52 1xxt h SER 124 N 0.13 -0.02 -0.88 0.00 0.02 -1.08 -2.02 113.55 109.70 1xxt h SER 124 Ca 0.10 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1xxt h SER 124 Cb 0.10 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1xxt h SER 124 CO -0.14 0.05 0.58 -0.07 -1.14 0.00 0.00 176.83 176.11 1xxt h LEU 125 N -0.08 1.00 0.10 5.07 3.38 -0.98 -0.46 115.31 123.34 1xxt h LEU 125 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1xxt h LEU 125 Cb 0.07 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1xxt h LEU 125 CO 0.00 0.72 -0.05 -0.78 0.09 0.00 0.00 178.44 178.42 1xxt h ASP 126 N 1.18 -0.11 -0.83 -0.43 3.58 -1.12 0.31 116.42 118.99 1xxt h ASP 126 Ca 0.33 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.79 1xxt h ASP 126 Cb -0.10 0.03 -0.04 0.00 1.72 0.00 0.00 39.33 40.93 1xxt h ASP 126 CO -0.08 -0.07 0.55 0.11 -2.88 0.00 0.00 179.24 176.87 1xxt h LYS 127 N -0.15 1.06 -0.03 0.28 1.57 -1.07 -0.61 116.57 117.62 1xxt h LYS 127 Ca -0.01 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xxt h LYS 127 Cb 0.12 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1xxt h LYS 127 CO 0.02 0.70 0.01 0.35 -0.57 0.00 0.00 179.45 179.96 1xxt h PHE 128 N 1.09 0.04 -0.26 -1.35 3.57 -0.74 0.12 116.94 119.40 1xxt h PHE 128 Ca 0.32 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.72 1xxt h PHE 128 Cb -0.06 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.65 1xxt h PHE 128 CO -0.00 0.18 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.94 1xxt h LEU 129 N -0.11 0.50 -0.40 0.59 3.38 -0.67 -0.74 115.31 117.85 1xxt h LEU 129 Ca 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1xxt h LEU 129 Cb 0.16 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1xxt h LEU 129 CO -0.00 0.74 0.16 0.00 0.09 0.00 0.00 178.44 179.43 1xxt h ALA 130 N 1.30 0.52 -0.69 1.53 0.00 -0.91 -0.39 119.26 120.63 1xxt h ALA 130 Ca 0.07 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1xxt h ALA 130 Cb 0.67 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1xxt h ALA 130 CO 0.05 0.12 0.25 0.77 0.00 0.00 0.00 179.25 180.45 1xxt h SER 131 N 0.50 0.98 -0.83 0.00 0.02 -0.60 -0.02 113.55 113.60 1xxt h SER 131 Ca 0.13 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.87 1xxt h SER 131 Cb 0.19 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.43 1xxt h SER 131 CO -0.01 0.90 0.43 0.58 -1.14 0.00 0.00 176.83 177.59 1xxt h VAL 132 N 1.00 1.25 -0.27 2.27 2.07 -0.95 -1.57 116.25 120.05 1xxt h VAL 132 Ca 0.23 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 67.08 1xxt h VAL 132 Cb 0.25 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1xxt h VAL 132 CO -0.01 0.29 0.11 0.28 0.02 0.00 0.00 177.57 178.25 1xxt h SER 133 N 1.16 0.37 -0.30 0.57 0.02 -0.45 -1.31 113.55 113.60 1xxt h SER 133 Ca 0.29 -0.16 0.03 0.00 -0.84 0.00 0.00 61.79 61.10 1xxt h SER 133 Cb 0.07 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1xxt h SER 133 CO -0.04 0.43 0.13 0.74 -1.14 0.00 0.00 176.83 176.94 1xxt h THR 134 N 0.29 0.95 -0.26 -2.27 2.02 -0.82 -1.90 112.91 110.91 1xxt h THR 134 Ca 0.09 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1xxt h THR 134 Cb 0.17 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 1xxt h THR 134 CO -0.01 0.05 0.15 0.58 0.37 0.00 0.00 175.52 176.66 1xxt h VAL 135 N 0.27 1.11 0.00 3.16 2.07 -1.11 -1.37 116.25 120.39 1xxt h VAL 135 Ca 0.13 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 1xxt h VAL 135 Cb 0.07 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1xxt h VAL 135 CO -0.11 0.11 -0.02 -0.07 0.02 0.00 0.00 177.57 177.50 1xxt h LEU 136 N 0.32 0.00 -2.66 2.57 3.38 -0.87 -2.86 115.31 115.19 1xxt h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xxt h LEU 136 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xxt h LEU 136 CO -0.02 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.88 1xxt n THR 137 N -3.16 0.84 0.19 0.22 -2.24 -0.75 -4.47 114.28 104.91 1xxt n THR 137 Ca -0.01 -0.92 0.05 0.00 -2.27 0.00 0.00 64.05 60.90 1xxt n THR 137 Cb 0.21 0.61 0.35 0.00 -2.10 0.00 0.00 70.33 69.39 1xxt n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xxt h SER 138 N 1.69 0.00 -0.60 3.42 4.64 -1.01 -3.17 113.55 118.52 1xxt h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xxt h SER 138 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1xxt h SER 138 CO 0.00 0.38 0.00 0.29 -0.87 0.00 0.00 176.83 176.63 1xxt n LYS 139 N -3.61 4.48 0.07 4.77 5.02 -1.26 -4.57 118.16 123.05 1xxt n LYS 139 Ca -0.01 -3.07 0.02 0.00 -2.02 0.00 0.00 58.31 53.23 1xxt n LYS 139 Cb 0.49 -2.14 0.39 0.00 -0.02 0.00 0.00 35.03 33.75 1xxt n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xxt h TYR 140 N 4.01 0.37 0.00 2.13 0.99 -1.87 -3.46 116.97 119.15 1xxt h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1xxt h TYR 140 Cb 1.80 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 39.41 1xxt h TYR 140 CO 0.98 0.38 0.00 2.89 -0.00 0.00 0.00 178.16 182.41