#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xzv s LEU 2 N 0.00 4.29 0.68 4.03 1.43 -1.26 -5.04 118.68 122.82 1xzv s LEU 2 Ca 0.00 1.66 -0.08 0.00 -1.03 0.00 0.00 54.13 54.68 1xzv s LEU 2 Cb 0.00 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.69 1xzv s LEU 2 CO 0.00 -0.43 1.02 -0.94 0.23 0.00 0.00 176.35 176.23 1xzv s SER 3 N 1.15 5.17 0.28 2.29 1.04 -1.26 -4.85 113.70 117.52 1xzv s SER 3 Ca 0.52 0.75 -0.02 0.00 0.48 0.00 0.00 55.95 57.68 1xzv s SER 3 Cb -0.21 -1.52 0.44 0.00 0.10 0.00 0.00 66.02 64.83 1xzv s SER 3 CO 0.22 -1.41 1.92 -0.65 0.98 0.00 0.00 173.24 174.30 1xzv h PRO 4 N -0.54 1.11 -0.57 4.02 0.11 -1.99 0.23 132.00 134.37 1xzv h PRO 4 Ca -0.45 -0.07 -0.02 0.00 0.11 0.00 0.00 66.00 65.57 1xzv h PRO 4 Cb 1.28 -0.25 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 1xzv h PRO 4 CO 0.62 0.73 0.28 0.00 -0.21 0.00 0.00 178.00 179.43 1xzv h ALA 5 N 1.47 0.74 0.30 -0.75 0.00 -1.99 -1.36 119.26 117.67 1xzv h ALA 5 Ca 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1xzv h ALA 5 Cb 0.08 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1xzv h ALA 5 CO -0.13 0.29 -0.22 -0.44 0.00 0.00 0.00 179.25 178.76 1xzv h ASP 6 N 0.77 -0.56 -1.00 0.00 3.32 -1.75 0.51 116.42 117.71 1xzv h ASP 6 Ca 0.20 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.38 1xzv h ASP 6 Cb 0.11 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.76 1xzv h ASP 6 CO -0.03 -0.34 0.64 0.11 -1.72 0.00 0.00 179.24 177.91 1xzv h LYS 7 N -0.52 1.05 0.44 3.56 1.57 -0.80 0.85 116.57 122.72 1xzv h LYS 7 Ca -0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1xzv h LYS 7 Cb 0.45 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1xzv h LYS 7 CO 0.01 0.69 -0.21 1.15 -0.57 0.00 0.00 179.45 180.52 1xzv h THR 8 N 1.08 0.56 -0.49 -0.16 2.02 -0.81 -1.30 112.91 113.81 1xzv h THR 8 Ca 0.47 -0.18 0.10 0.00 0.77 0.00 0.00 66.41 67.57 1xzv h THR 8 Cb 0.34 0.65 -0.09 0.00 -1.74 0.00 0.00 68.15 67.31 1xzv h THR 8 CO -0.22 0.03 -0.13 0.78 0.37 0.00 0.00 175.52 176.35 1xzv h ASN 9 N -0.69 -0.47 -0.14 4.18 2.35 0.82 -0.77 115.58 120.85 1xzv h ASN 9 Ca -0.06 0.15 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1xzv h ASN 9 Cb 0.51 0.31 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 1xzv h ASN 9 CO 0.10 -0.17 0.08 0.58 -1.65 0.00 0.00 177.43 176.38 1xzv h VAL 10 N -0.01 1.07 -0.33 2.81 2.07 -0.77 -1.34 116.25 119.76 1xzv h VAL 10 Ca 0.23 -0.19 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 1xzv h VAL 10 Cb 0.36 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1xzv h VAL 10 CO -0.51 0.07 0.01 0.11 0.02 0.00 0.00 177.57 177.27 1xzv h LYS 11 N 0.15 0.50 0.64 1.57 1.57 -0.86 -0.88 116.57 119.26 1xzv h LYS 11 Ca 0.05 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1xzv h LYS 11 Cb 0.04 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xzv h LYS 11 CO -0.01 0.51 -0.31 0.00 -0.57 0.00 0.00 179.45 179.08 1xzv h ALA 12 N 1.54 -0.96 -0.59 3.86 0.00 -0.82 0.41 119.26 122.69 1xzv h ALA 12 Ca 0.11 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.95 1xzv h ALA 12 Cb 0.29 0.33 -0.10 0.00 0.00 0.00 0.00 17.79 18.32 1xzv h ALA 12 CO 0.01 -0.90 0.01 0.00 0.00 0.00 0.00 179.25 178.37 1xzv h ALA 13 N -1.37 0.59 -0.08 0.00 0.00 -1.21 0.02 119.26 117.20 1xzv h ALA 13 Ca -0.09 0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1xzv h ALA 13 Cb 0.66 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1xzv h ALA 13 CO 0.14 -0.39 -0.51 2.35 0.00 0.00 0.00 179.25 180.85 1xzv h TRP 14 N 0.13 0.27 -0.52 0.00 2.91 -1.22 -2.83 115.95 114.69 1xzv h TRP 14 Ca 0.31 -0.09 0.08 0.00 1.13 0.00 0.00 58.89 60.32 1xzv h TRP 14 Cb 0.49 -0.05 -0.07 0.00 -0.51 0.00 0.00 29.16 29.02 1xzv h TRP 14 CO -0.35 0.69 0.14 0.78 -1.03 0.00 0.00 178.44 178.67 1xzv h GLY 15 N 1.37 0.67 1.98 2.65 0.00 0.10 -0.60 103.07 109.24 1xzv h GLY 15 Ca 0.01 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.21 1xzv h GLY 15 CO 0.08 -0.04 -0.33 0.50 0.00 0.00 0.00 176.54 176.74 1xzv h LYS 16 N 0.29 0.02 -0.09 4.80 1.79 -1.13 -3.22 116.57 119.04 1xzv h LYS 16 Ca 0.26 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.75 1xzv h LYS 16 Cb 0.33 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.94 1xzv h LYS 16 CO -0.30 0.35 -0.11 0.28 -1.08 0.00 0.00 179.45 178.59 1xzv h VAL 17 N 0.02 0.69 0.00 0.50 2.07 -0.87 -3.46 116.25 115.20 1xzv h VAL 17 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1xzv h VAL 17 Cb 0.60 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1xzv h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1xzv n GLY 18 N -1.25 3.09 0.00 2.17 0.00 -1.17 -2.08 105.19 105.94 1xzv n GLY 18 Ca -0.04 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.98 1xzv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xzv n ALA 19 N 9.61 1.21 1.10 4.61 0.00 -1.26 -2.11 120.51 133.67 1xzv n ALA 19 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.55 1xzv n ALA 19 Cb 0.00 -1.05 0.15 0.00 0.00 0.00 0.00 19.45 18.56 1xzv n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xzv n HIS 20 N -1.42 0.00 -0.27 0.00 8.25 -0.88 -4.50 115.22 116.39 1xzv n HIS 20 Ca 0.01 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.55 1xzv n HIS 20 Cb 0.03 -0.05 0.22 0.00 1.12 0.00 0.00 29.99 31.31 1xzv n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xzv h ALA 21 N 3.79 1.13 -0.41 -1.41 0.00 -1.54 -0.18 119.26 120.64 1xzv h ALA 21 Ca 0.00 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1xzv h ALA 21 Cb 0.65 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1xzv h ALA 21 CO 0.00 -0.31 0.11 0.78 0.00 0.00 0.00 179.25 179.83 1xzv h GLY 22 N 0.34 0.51 1.04 0.00 0.00 -1.85 0.43 103.07 103.55 1xzv h GLY 22 Ca 0.46 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.71 1xzv h GLY 22 CO -0.50 -0.02 0.34 0.83 0.00 0.00 0.00 176.54 177.20 1xzv h GLU 23 N 0.25 1.18 -0.29 4.80 5.08 -1.42 -0.58 114.58 123.59 1xzv h GLU 23 Ca 0.20 -0.20 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1xzv h GLU 23 Cb 0.22 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 1xzv h GLU 23 CO -0.24 0.94 -0.53 1.88 -1.00 0.00 0.00 179.01 180.07 1xzv h TYR 24 N 1.16 1.08 0.07 4.33 0.05 -0.64 -0.33 116.97 122.69 1xzv h TYR 24 Ca 0.27 -0.38 0.01 0.00 0.05 0.00 0.00 58.73 58.68 1xzv h TYR 24 Cb 0.18 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 37.68 1xzv h TYR 24 CO 0.02 1.20 -0.36 0.78 -1.05 0.00 0.00 178.16 178.75 1xzv h GLY 25 N 0.73 -1.19 -0.05 3.88 0.00 0.28 0.44 103.07 107.15 1xzv h GLY 25 Ca 0.02 0.61 0.11 0.00 0.00 0.00 0.00 47.33 48.07 1xzv h GLY 25 CO 0.12 -0.33 -0.12 0.00 0.00 0.00 0.00 176.54 176.21 1xzv h ALA 26 N -0.86 0.37 -0.54 3.60 0.00 -1.08 -2.39 119.26 118.37 1xzv h ALA 26 Ca -0.00 0.20 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1xzv h ALA 26 Cb 0.51 0.39 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1xzv h ALA 26 CO -0.20 -0.43 0.12 1.49 0.00 0.00 0.00 179.25 180.23 1xzv h GLU 27 N 0.01 0.83 -0.70 0.00 4.81 -0.54 -1.46 114.58 117.53 1xzv h GLU 27 Ca 0.26 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.26 1xzv h GLU 27 Cb 0.40 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1xzv h GLU 27 CO -0.54 0.75 0.22 0.00 -0.73 0.00 0.00 179.01 178.70 1xzv h ALA 28 N 1.34 1.06 -0.13 2.92 0.00 -0.43 -1.03 119.26 122.98 1xzv h ALA 28 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xzv h ALA 28 Cb 0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1xzv h ALA 28 CO -0.00 0.64 0.03 -0.07 0.00 0.00 0.00 179.25 179.85 1xzv h LEU 29 N 1.04 0.19 -0.92 0.00 3.38 -1.14 0.11 115.31 117.97 1xzv h LEU 29 Ca 0.23 -0.22 0.08 0.00 0.09 0.00 0.00 57.88 58.05 1xzv h LEU 29 Cb 0.30 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1xzv h LEU 29 CO -0.01 0.36 0.57 -0.08 0.09 0.00 0.00 178.44 179.38 1xzv h GLU 30 N 0.01 0.97 -0.57 1.13 4.81 -1.08 0.14 114.58 119.99 1xzv h GLU 30 Ca 0.04 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1xzv h GLU 30 Cb 0.25 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1xzv h GLU 30 CO -0.00 0.64 0.01 0.00 -0.73 0.00 0.00 179.01 178.94 1xzv h ARG 31 N 1.00 1.00 -0.31 1.92 3.08 -0.80 -2.67 114.38 117.61 1xzv h ARG 31 Ca 0.42 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1xzv h ARG 31 Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 1xzv h ARG 31 CO -0.20 0.99 0.11 1.98 -1.07 0.00 0.00 179.97 181.78 1xzv h MET 32 N 0.89 0.47 -0.73 0.04 4.05 0.55 -0.22 114.93 119.98 1xzv h MET 32 Ca 0.16 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 1xzv h MET 32 Cb 0.53 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.22 1xzv h MET 32 CO 0.03 0.49 0.42 0.74 0.23 0.00 0.00 176.91 178.82 1xzv h PHE 33 N 0.34 0.97 0.09 1.39 0.04 -0.65 0.34 116.94 119.47 1xzv h PHE 33 Ca 0.10 -0.01 -0.20 0.00 2.80 0.00 0.00 57.97 60.66 1xzv h PHE 33 Cb 0.21 -0.32 0.02 0.00 2.20 0.00 0.00 35.95 38.06 1xzv h PHE 33 CO -0.00 0.66 -0.85 -0.07 -0.60 0.00 0.00 178.31 177.45 1xzv h LEU 34 N 1.01 0.59 0.01 1.54 3.38 -1.44 -3.19 115.31 117.21 1xzv h LEU 34 Ca 0.26 -0.85 -0.26 0.00 0.09 0.00 0.00 57.88 57.11 1xzv h LEU 34 Cb -0.01 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.56 1xzv h LEU 34 CO -0.05 1.39 -1.13 0.28 0.09 0.00 0.00 178.44 179.02 1xzv h SER 35 N -0.12 0.62 -2.65 -0.43 0.02 -0.84 -3.39 113.55 106.76 1xzv h SER 35 Ca -0.13 -0.56 -0.60 0.00 -0.84 0.00 0.00 61.79 59.65 1xzv h SER 35 Cb 1.60 -0.19 -0.40 0.00 0.14 0.00 0.00 62.40 63.54 1xzv h SER 35 CO 0.16 1.39 -0.76 0.49 -1.14 0.00 0.00 176.83 176.98 1xzv n PHE 36 N -3.70 1.59 0.33 3.45 3.01 0.12 -4.98 117.46 117.28 1xzv n PHE 36 Ca -0.10 -3.89 0.20 0.00 1.01 0.00 0.00 57.45 54.67 1xzv n PHE 36 Cb 0.94 -0.29 1.07 0.00 -0.01 0.00 0.00 39.48 41.18 1xzv n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xzv h PRO 37 N 5.21 0.00 0.00 -1.08 0.13 -1.71 -1.03 132.00 133.52 1xzv h PRO 37 Ca 0.19 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1xzv h PRO 37 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1xzv h PRO 37 CO 0.59 0.00 -0.12 1.79 -0.23 0.00 0.00 178.00 180.03 1xzv h THR 38 N 0.00 0.70 0.00 1.56 1.35 -1.91 -1.91 112.91 112.69 1xzv h THR 38 Ca 0.01 -0.51 -0.01 0.00 -0.55 0.00 0.00 66.41 65.35 1xzv h THR 38 Cb 0.23 1.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1xzv h THR 38 CO -0.00 0.12 -0.05 0.71 -0.25 0.00 0.00 175.52 176.05 1xzv h THR 39 N 0.00 0.18 0.00 6.82 1.35 -1.51 -2.44 112.91 117.31 1xzv h THR 39 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1xzv h THR 39 Cb 0.30 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 1xzv h THR 39 CO 0.02 0.05 0.00 0.11 -0.25 0.00 0.00 175.52 175.45 1xzv h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.51 -2.96 116.57 118.39 1xzv h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xzv h LYS 40 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.71 1xzv h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1xzv h THR 41 N 0.00 0.00 -0.03 -0.16 1.35 -1.63 -0.95 112.91 111.50 1xzv h THR 41 Ca 0.00 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 1xzv h THR 41 Cb 0.24 0.81 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1xzv h THR 41 CO 0.00 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.05 1xzv n TYR 42 N -2.65 0.00 -2.55 4.73 4.01 -1.12 -4.39 117.16 115.19 1xzv n TYR 42 Ca -0.02 -0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.58 1xzv n TYR 42 Cb 0.09 0.00 0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1xzv n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xzv n PHE 43 N 1.00 2.00 0.27 -0.72 3.01 -0.36 -4.88 117.46 117.78 1xzv n PHE 43 Ca 0.16 -2.63 0.13 0.00 1.01 0.00 0.00 57.45 56.12 1xzv n PHE 43 Cb 0.53 -0.26 0.77 0.00 -0.01 0.00 0.00 39.48 40.51 1xzv n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1xzv h PRO 44 N 2.67 0.00 -0.07 -1.08 0.13 -1.77 -2.04 132.00 129.84 1xzv h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1xzv h PRO 44 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1xzv h PRO 44 CO 0.56 0.09 0.00 -2.39 -0.23 0.00 0.00 178.00 176.03 1xzv n HIS 45 N -3.67 0.09 -4.04 1.56 1.44 -1.26 -4.89 115.22 104.45 1xzv n HIS 45 Ca -0.02 -0.04 -0.22 0.00 -2.01 0.00 0.00 57.72 55.43 1xzv n HIS 45 Cb 0.20 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.27 1xzv n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1xzv s PHE 46 N -1.91 3.05 -0.37 -1.40 2.99 -0.77 -5.08 117.98 114.49 1xzv s PHE 46 Ca 0.35 -0.16 -0.16 0.00 0.00 0.00 0.00 56.93 56.96 1xzv s PHE 46 Cb 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 43.02 41.71 1xzv s PHE 46 CO 0.29 0.44 0.41 0.34 -0.00 0.00 0.00 175.22 176.69 1xzv s ASP 47 N -3.88 6.20 0.00 1.36 2.15 -1.26 -4.94 116.67 116.30 1xzv s ASP 47 Ca 0.35 -0.36 0.18 0.00 0.43 0.00 0.00 52.55 53.15 1xzv s ASP 47 Cb -0.07 -2.21 0.52 0.00 -0.30 0.00 0.00 42.92 40.85 1xzv s ASP 47 CO 0.25 -0.44 1.43 0.18 -0.17 0.00 0.00 175.17 176.43 1xzv n LEU 48 N 5.50 3.12 -4.76 -1.34 4.77 -1.26 -4.43 117.00 118.59 1xzv n LEU 48 Ca -0.08 -1.55 -0.34 0.00 -0.03 0.00 0.00 56.01 54.01 1xzv n LEU 48 Cb 0.49 -0.38 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1xzv n LEU 48 CO 0.43 0.77 0.78 -0.94 -1.33 0.00 0.00 177.39 177.10 1xzv s SER 49 N -1.03 5.12 0.10 -1.43 1.04 -1.26 -4.92 113.70 111.32 1xzv s SER 49 Ca 0.39 2.17 -0.33 0.00 0.48 0.00 0.00 55.95 58.65 1xzv s SER 49 Cb 0.20 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.62 1xzv s SER 49 CO 0.27 -1.63 1.71 1.57 0.98 0.00 0.00 173.24 176.14 1xzv n HIS 50 N -2.06 2.38 -1.49 5.02 -0.00 -1.26 -1.56 115.22 116.24 1xzv n HIS 50 Ca 0.12 0.11 -0.09 0.00 0.46 0.00 0.00 57.72 58.32 1xzv n HIS 50 Cb 0.51 -2.61 -0.03 0.00 -0.12 0.00 0.00 29.99 27.74 1xzv n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1xzv n GLY 51 N 3.83 0.78 3.75 1.57 0.00 -1.26 -4.99 105.19 108.87 1xzv n GLY 51 Ca 0.18 -0.61 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 1xzv n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xzv s SER 52 N -2.83 6.67 0.53 1.61 1.04 -0.60 -4.88 113.70 115.24 1xzv s SER 52 Ca 0.00 2.68 0.28 0.00 0.48 0.00 0.00 55.95 59.40 1xzv s SER 52 Cb 0.00 -2.63 1.47 0.00 0.10 0.00 0.00 66.02 64.96 1xzv s SER 52 CO 0.00 -0.67 2.08 0.00 0.98 0.00 0.00 173.24 175.63 1xzv h ALA 53 N 4.59 1.27 -0.27 5.32 0.00 -1.90 0.21 119.26 128.47 1xzv h ALA 53 Ca -0.47 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.27 1xzv h ALA 53 Cb 1.22 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1xzv h ALA 53 CO 0.74 0.14 -0.11 1.96 0.00 0.00 0.00 179.25 181.98 1xzv h GLN 54 N 0.00 0.55 -0.27 0.00 4.20 -1.90 0.11 115.11 117.80 1xzv h GLN 54 Ca -0.00 -0.23 -0.05 0.00 0.06 0.00 0.00 58.65 58.42 1xzv h GLN 54 Cb 0.33 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 1xzv h GLN 54 CO 0.01 0.79 -0.03 0.28 -0.67 0.00 0.00 178.83 179.21 1xzv h VAL 55 N 0.29 1.27 0.11 -0.54 2.07 -1.60 -0.90 116.25 116.96 1xzv h VAL 55 Ca 0.06 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1xzv h VAL 55 Cb 0.62 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 1xzv h VAL 55 CO 0.04 0.32 -0.36 0.11 0.02 0.00 0.00 177.57 177.70 1xzv h LYS 56 N 0.26 -0.56 -1.00 1.57 1.57 -0.88 0.17 116.57 117.70 1xzv h LYS 56 Ca 0.07 0.04 0.09 0.00 -1.87 0.00 0.00 60.65 58.98 1xzv h LYS 56 Cb 0.48 0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.85 1xzv h LYS 56 CO 0.02 -0.37 0.64 0.78 -0.57 0.00 0.00 179.45 179.95 1xzv h GLY 57 N -0.58 1.57 1.37 3.86 0.00 -0.73 -1.37 103.07 107.19 1xzv h GLY 57 Ca 0.03 -0.45 -0.12 0.00 0.00 0.00 0.00 47.33 46.79 1xzv h GLY 57 CO -0.21 0.25 -0.30 0.84 0.00 0.00 0.00 176.54 177.11 1xzv h HIS 58 N 1.08 0.82 -0.65 5.60 -0.00 -0.38 -2.60 115.15 119.02 1xzv h HIS 58 Ca 0.46 -0.21 0.04 0.00 -0.00 0.00 0.00 60.37 60.66 1xzv h HIS 58 Cb 0.33 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.51 1xzv h HIS 58 CO -0.00 0.93 0.39 0.78 -0.00 0.00 0.00 177.93 180.03 1xzv h GLY 59 N 0.97 0.94 0.68 5.26 0.00 0.38 -0.69 103.07 110.61 1xzv h GLY 59 Ca 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.13 1xzv h GLY 59 CO 0.07 0.22 -0.19 1.70 0.00 0.00 0.00 176.54 178.34 1xzv h LYS 60 N 0.75 -0.35 -0.46 4.80 3.64 -1.07 0.61 116.57 124.49 1xzv h LYS 60 Ca 0.27 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.77 1xzv h LYS 60 Cb 0.07 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 1xzv h LYS 60 CO -0.13 -0.23 -0.03 0.87 -2.27 0.00 0.00 179.45 177.66 1xzv h LYS 61 N -0.36 0.07 -0.26 1.90 1.57 -1.04 0.12 116.57 118.57 1xzv h LYS 61 Ca 0.03 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.76 1xzv h LYS 61 Cb 0.38 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1xzv h LYS 61 CO -0.10 0.05 0.02 0.28 -0.57 0.00 0.00 179.45 179.12 1xzv h VAL 62 N 0.08 1.25 0.06 0.50 2.07 -0.85 -2.71 116.25 116.65 1xzv h VAL 62 Ca 0.23 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1xzv h VAL 62 Cb 0.34 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1xzv h VAL 62 CO -0.41 0.27 -0.16 0.00 0.02 0.00 0.00 177.57 177.29 1xzv h ALA 63 N 0.84 -0.25 -0.97 1.67 0.00 -0.22 -1.41 119.26 118.92 1xzv h ALA 63 Ca 0.08 -0.01 0.17 0.00 0.00 0.00 0.00 54.91 55.14 1xzv h ALA 63 Cb 0.38 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 1xzv h ALA 63 CO 0.01 -0.68 0.58 -0.44 0.00 0.00 0.00 179.25 178.72 1xzv h ASP 64 N -0.30 0.76 -0.38 0.00 5.19 -0.72 0.54 116.42 121.51 1xzv h ASP 64 Ca 0.03 0.09 -0.12 0.00 -0.62 0.00 0.00 57.03 56.42 1xzv h ASP 64 Cb 0.34 -0.05 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1xzv h ASP 64 CO -0.11 0.30 -0.19 0.00 -3.12 0.00 0.00 179.24 176.12 1xzv h ALA 65 N 1.61 0.83 -0.61 3.45 0.00 -1.12 0.16 119.26 123.58 1xzv h ALA 65 Ca 0.54 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1xzv h ALA 65 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1xzv h ALA 65 CO -0.36 0.65 0.11 -0.07 0.00 0.00 0.00 179.25 179.58 1xzv h LEU 66 N 0.76 0.95 0.08 0.00 3.38 0.13 -1.33 115.31 119.28 1xzv h LEU 66 Ca 0.11 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.83 1xzv h LEU 66 Cb 0.72 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1xzv h LEU 66 CO 0.06 0.96 -0.10 0.74 0.09 0.00 0.00 178.44 180.19 1xzv h THR 67 N 0.90 0.77 -0.78 0.22 2.02 -0.93 -1.34 112.91 113.78 1xzv h THR 67 Ca 0.19 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.43 1xzv h THR 67 Cb 0.40 0.77 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1xzv h THR 67 CO 0.01 0.00 0.51 -1.13 0.37 0.00 0.00 175.52 175.28 1xzv h ASN 68 N -0.21 0.73 0.14 4.18 -1.24 -0.75 -1.22 115.58 117.22 1xzv h ASN 68 Ca 0.01 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.89 1xzv h ASN 68 Cb 0.21 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1xzv h ASN 68 CO -0.04 0.47 -0.48 0.00 -1.29 0.00 0.00 177.43 176.09 1xzv h ALA 69 N 1.58 0.90 -0.33 1.57 0.00 -0.63 -1.98 119.26 120.37 1xzv h ALA 69 Ca 0.34 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 1xzv h ALA 69 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xzv h ALA 69 CO -0.12 0.66 -0.28 0.28 0.00 0.00 0.00 179.25 179.79 1xzv h VAL 70 N 0.32 1.29 -0.71 0.00 2.07 -0.62 -0.13 116.25 118.47 1xzv h VAL 70 Ca 0.02 -1.44 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1xzv h VAL 70 Cb 0.96 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1xzv h VAL 70 CO 0.08 0.47 0.42 0.00 0.02 0.00 0.00 177.57 178.56 1xzv h ALA 71 N 0.74 1.41 -0.77 1.67 0.00 -1.21 -2.73 119.26 118.37 1xzv h ALA 71 Ca 0.06 -0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.35 1xzv h ALA 71 Cb 0.85 -0.29 -0.34 0.00 0.00 0.00 0.00 17.79 18.01 1xzv h ALA 71 CO 0.07 0.51 -0.21 0.72 0.00 0.00 0.00 179.25 180.34 1xzv n HIS 72 N -4.39 2.66 -0.20 0.00 8.25 -0.75 -4.77 115.22 116.02 1xzv n HIS 72 Ca 0.07 -2.38 0.25 0.00 -0.26 0.00 0.00 57.72 55.40 1xzv n HIS 72 Cb 0.07 -0.70 0.65 0.00 1.12 0.00 0.00 29.99 31.14 1xzv n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1xzv h VAL 73 N 1.66 0.59 0.00 1.59 3.04 -0.69 0.29 116.25 122.73 1xzv h VAL 73 Ca 0.42 -0.05 -0.15 0.00 -1.01 0.00 0.00 66.70 65.92 1xzv h VAL 73 Cb 1.34 0.44 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 1xzv h VAL 73 CO 0.96 0.03 -0.71 0.44 -1.01 0.00 0.00 177.57 177.28 1xzv h ASP 74 N 0.14 0.00 -0.68 3.17 3.32 -1.86 -3.37 116.42 117.14 1xzv h ASP 74 Ca 0.44 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 57.09 1xzv h ASP 74 Cb 1.52 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.66 1xzv h ASP 74 CO -0.07 0.71 -0.98 -0.67 -1.72 0.00 0.00 179.24 176.51 1xzv n ASP 75 N -3.35 3.13 -0.11 6.45 2.03 0.01 -4.96 116.55 119.75 1xzv n ASP 75 Ca 0.01 -2.89 -0.05 0.00 0.52 0.00 0.00 54.79 52.38 1xzv n ASP 75 Cb 0.79 -0.43 0.01 0.00 -0.72 0.00 0.00 41.12 40.77 1xzv n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1xzv h MET 76 N 2.46 -0.08 -1.01 -0.67 2.86 -1.52 0.29 114.93 117.27 1xzv h MET 76 Ca 0.10 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 57.98 1xzv h MET 76 Cb 1.35 0.02 -0.11 0.00 0.06 0.00 0.00 31.60 32.91 1xzv h MET 76 CO 0.48 -0.05 0.61 -1.35 1.06 0.00 0.00 176.91 177.66 1xzv h PRO 77 N -0.08 0.58 0.12 -0.22 0.11 -1.93 0.17 132.00 130.75 1xzv h PRO 77 Ca 0.19 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.05 1xzv h PRO 77 Cb 0.38 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.36 1xzv h PRO 77 CO -0.45 0.38 -1.06 -0.91 -0.21 0.00 0.00 178.00 175.75 1xzv h ASN 78 N 0.60 0.39 0.05 -2.05 4.21 -1.69 -2.89 115.58 114.21 1xzv h ASN 78 Ca 0.62 -0.89 -0.02 0.00 1.21 0.00 0.00 56.30 57.22 1xzv h ASN 78 Cb 1.19 -0.13 -0.00 0.00 -1.12 0.00 0.00 38.32 38.26 1xzv h ASN 78 CO -0.42 1.48 -0.07 0.00 -1.29 0.00 0.00 177.43 177.13 1xzv h ALA 79 N -0.00 1.84 -0.32 -0.83 0.00 0.57 -3.01 119.26 117.51 1xzv h ALA 79 Ca -0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1xzv h ALA 79 Cb 1.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1xzv h ALA 79 CO 0.09 0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1xzv n LEU 80 N -4.44 4.14 -0.04 0.00 4.77 0.50 -4.77 117.00 117.16 1xzv n LEU 80 Ca -0.02 -2.95 -0.09 0.00 -0.03 0.00 0.00 56.01 52.92 1xzv n LEU 80 Cb 0.16 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1xzv n LEU 80 CO 0.35 0.67 0.70 0.77 -1.33 0.00 0.00 177.39 178.56 1xzv h SER 81 N 2.18 -0.75 -0.85 -1.43 4.64 -1.36 -0.69 113.55 115.29 1xzv h SER 81 Ca 0.00 0.13 0.10 0.00 -0.47 0.00 0.00 61.79 61.55 1xzv h SER 81 Cb 1.49 0.35 -0.07 0.00 -0.31 0.00 0.00 62.40 63.86 1xzv h SER 81 CO 0.25 -0.27 0.49 0.00 -0.87 0.00 0.00 176.83 176.43 1xzv h ALA 82 N 0.78 1.22 -0.45 5.18 0.00 -1.86 -1.27 119.26 122.86 1xzv h ALA 82 Ca 0.13 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1xzv h ALA 82 Cb 0.45 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1xzv h ALA 82 CO -0.36 0.12 -0.19 -0.07 0.00 0.00 0.00 179.25 178.74 1xzv h LEU 83 N 0.82 0.90 -1.11 0.00 4.07 -1.78 0.08 115.31 118.30 1xzv h LEU 83 Ca 0.41 -0.32 -0.06 0.00 0.08 0.00 0.00 57.88 57.99 1xzv h LEU 83 Cb 0.37 -0.25 -0.02 0.00 1.08 0.00 0.00 40.66 41.85 1xzv h LEU 83 CO -0.25 1.07 0.02 0.28 -1.08 0.00 0.00 178.44 178.48 1xzv h SER 84 N 0.77 0.61 0.65 -0.43 0.02 -0.28 -2.16 113.55 112.73 1xzv h SER 84 Ca 0.11 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1xzv h SER 84 Cb 0.73 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 63.12 1xzv h SER 84 CO 0.06 0.67 -0.31 0.44 -1.14 0.00 0.00 176.83 176.54 1xzv h ASP 85 N 0.62 -0.74 -0.42 3.07 3.32 -1.08 -1.74 116.42 119.44 1xzv h ASP 85 Ca 0.13 -0.01 0.09 0.00 0.02 0.00 0.00 57.03 57.26 1xzv h ASP 85 Cb 0.36 0.19 -0.09 0.00 0.22 0.00 0.00 39.33 40.01 1xzv h ASP 85 CO 0.01 -0.39 -0.22 0.25 -1.72 0.00 0.00 179.24 177.18 1xzv h LEU 86 N -1.12 -0.73 -0.41 1.55 5.85 -0.80 0.46 115.31 120.10 1xzv h LEU 86 Ca -0.09 0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1xzv h LEU 86 Cb 0.71 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 1xzv h LEU 86 CO 0.15 -0.24 0.06 0.45 -0.34 0.00 0.00 178.44 178.51 1xzv h HIS 87 N -0.13 0.73 -0.40 1.25 3.86 -1.47 0.61 115.15 119.60 1xzv h HIS 87 Ca 0.20 -0.11 -0.13 0.00 -1.16 0.00 0.00 60.37 59.18 1xzv h HIS 87 Cb 0.45 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 1xzv h HIS 87 CO -0.46 0.72 -0.25 0.00 0.86 0.00 0.00 177.93 178.80 1xzv h ALA 88 N 0.92 0.56 0.00 2.45 0.00 -0.85 1.01 119.26 123.37 1xzv h ALA 88 Ca 0.12 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1xzv h ALA 88 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xzv h ALA 88 CO 0.01 0.56 -1.77 0.72 0.00 0.00 0.00 179.25 178.77 1xzv n HIS 89 N -4.18 0.00 -0.01 0.00 8.25 0.11 -4.55 115.22 114.84 1xzv n HIS 89 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1xzv n HIS 89 Cb 0.46 -0.42 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 1xzv n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1xzv n LYS 90 N -2.13 0.08 0.09 -0.41 4.81 0.12 -4.86 118.16 115.86 1xzv n LYS 90 Ca -0.06 0.03 -0.13 0.00 -0.87 0.00 0.00 58.31 57.28 1xzv n LYS 90 Cb 0.50 -0.47 -0.08 0.00 0.02 0.00 0.00 35.03 35.01 1xzv n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1xzv h LEU 91 N -0.15 -0.16 -1.28 3.14 3.38 -1.40 -3.48 115.31 115.35 1xzv h LEU 91 Ca 0.00 -0.12 -0.43 0.00 0.09 0.00 0.00 57.88 57.42 1xzv h LEU 91 Cb 0.15 0.04 0.04 0.00 0.09 0.00 0.00 40.66 40.98 1xzv h LEU 91 CO 0.00 0.02 -0.77 0.54 0.09 0.00 0.00 178.44 178.32 1xzv n ARG 92 N -5.10 -5.79 -2.17 1.13 1.74 0.35 -4.94 116.66 101.88 1xzv n ARG 92 Ca -0.09 0.66 -0.41 0.00 -0.77 0.00 0.00 57.85 57.24 1xzv n ARG 92 Cb 0.16 -5.47 -0.03 0.00 -1.02 0.00 0.00 32.46 26.10 1xzv n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xzv s VAL 93 N -3.43 2.98 0.31 1.55 1.01 -1.25 -4.95 120.40 116.61 1xzv s VAL 93 Ca 0.38 0.88 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1xzv s VAL 93 Cb -0.18 -3.56 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 1xzv s VAL 93 CO 0.80 0.17 1.45 -0.62 0.00 0.00 0.00 175.10 176.90 1xzv s ASP 94 N -0.04 6.55 0.54 3.32 2.15 -1.26 -4.88 116.67 123.05 1xzv s ASP 94 Ca 0.53 2.82 0.29 0.00 0.43 0.00 0.00 52.55 56.62 1xzv s ASP 94 Cb -0.38 -2.64 1.44 0.00 -0.30 0.00 0.00 42.92 41.04 1xzv s ASP 94 CO 0.44 -0.75 1.94 0.00 -0.17 0.00 0.00 175.17 176.64 1xzv h ALA 95 N 4.13 2.68 -0.41 3.66 0.00 -2.00 -2.06 119.26 125.27 1xzv h ALA 95 Ca -0.48 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.48 1xzv h ALA 95 Cb 1.23 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1xzv h ALA 95 CO 0.72 -0.89 0.28 0.28 0.00 0.00 0.00 179.25 179.64 1xzv h VAL 96 N 0.00 0.92 0.00 0.00 2.07 -2.04 -2.05 116.25 115.15 1xzv h VAL 96 Ca 0.34 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1xzv h VAL 96 Cb 1.37 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1xzv h VAL 96 CO -0.00 0.04 -0.08 0.78 0.02 0.00 0.00 177.57 178.33 1xzv h ASN 97 N 0.24 0.00 -0.32 0.57 4.21 -1.74 -2.94 115.58 115.61 1xzv h ASN 97 Ca 0.18 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.61 1xzv h ASN 97 Cb 0.42 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.60 1xzv h ASN 97 CO -0.03 0.08 -0.08 -0.26 -1.29 0.00 0.00 177.43 175.85 1xzv h PHE 98 N 0.00 0.78 -0.33 1.19 0.04 -1.55 -2.42 116.94 114.65 1xzv h PHE 98 Ca -0.00 -0.13 -0.03 0.00 2.80 0.00 0.00 57.97 60.61 1xzv h PHE 98 Cb 0.45 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 1xzv h PHE 98 CO 0.00 0.77 0.06 0.87 -0.60 0.00 0.00 178.31 179.41 1xzv h LYS 99 N 0.66 0.49 -0.14 1.51 1.57 -1.69 -0.72 116.57 118.26 1xzv h LYS 99 Ca 0.12 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 1xzv h LYS 99 Cb 0.52 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1xzv h LYS 99 CO 0.03 0.47 -0.14 -0.07 -0.57 0.00 0.00 179.45 179.17 1xzv h LEU 100 N 0.48 0.36 -0.37 2.94 3.38 -1.55 -1.89 115.31 118.66 1xzv h LEU 100 Ca 0.11 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.56 1xzv h LEU 100 Cb 0.22 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xzv h LEU 100 CO -0.00 0.77 0.06 0.25 0.09 0.00 0.00 178.44 179.60 1xzv h LEU 101 N -0.05 0.59 -0.16 1.67 6.46 -1.36 -2.41 115.31 120.06 1xzv h LEU 101 Ca 0.02 -0.26 0.05 0.00 -0.12 0.00 0.00 57.88 57.56 1xzv h LEU 101 Cb 0.67 -0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 40.39 1xzv h LEU 101 CO 0.03 0.70 -0.15 0.28 -0.62 0.00 0.00 178.44 178.68 1xzv h SER 102 N 0.45 -0.47 -0.38 1.25 0.02 -1.08 -1.60 113.55 111.74 1xzv h SER 102 Ca 0.11 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.21 1xzv h SER 102 Cb 0.36 0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.08 1xzv h SER 102 CO 0.01 -0.19 0.05 -0.74 -1.14 0.00 0.00 176.83 174.81 1xzv h HIS 103 N -0.17 0.07 -0.02 3.45 -0.00 -1.33 -1.61 115.15 115.54 1xzv h HIS 103 Ca 0.10 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.48 1xzv h HIS 103 Cb 0.32 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 27.76 1xzv h HIS 103 CO -0.28 -0.02 -0.09 0.00 -0.00 0.00 0.00 177.93 177.54 1xzv h LEU 105 N 0.02 0.91 0.30 0.00 5.85 -0.62 -1.96 115.31 119.81 1xzv h LEU 105 Ca 0.00 -0.67 -0.01 0.00 0.84 0.00 0.00 57.88 58.04 1xzv h LEU 105 Cb 0.17 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1xzv h LEU 105 CO 0.01 1.47 -0.14 -0.07 -0.34 0.00 0.00 178.44 179.37 1xzv h LEU 106 N 0.45 -0.34 -0.71 2.25 3.38 -0.65 -1.31 115.31 118.38 1xzv h LEU 106 Ca -0.10 -0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.01 1xzv h LEU 106 Cb 1.57 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 42.31 1xzv h LEU 106 CO 0.18 -0.21 0.21 0.58 0.09 0.00 0.00 178.44 179.29 1xzv h VAL 107 N -0.44 0.59 -0.90 1.22 2.07 -1.16 0.24 116.25 117.87 1xzv h VAL 107 Ca -0.04 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1xzv h VAL 107 Cb 0.33 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 1xzv h VAL 107 CO 0.07 0.06 0.57 0.74 0.02 0.00 0.00 177.57 179.03 1xzv h THR 108 N 0.32 1.24 -0.18 2.57 2.02 -1.09 -2.15 112.91 115.63 1xzv h THR 108 Ca 0.39 -0.48 -0.19 0.00 0.77 0.00 0.00 66.41 66.90 1xzv h THR 108 Cb 0.63 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1xzv h THR 108 CO -0.45 0.24 -0.66 -0.07 0.37 0.00 0.00 175.52 174.95 1xzv h LEU 109 N 1.23 0.81 -0.05 2.58 3.38 0.18 -2.84 115.31 120.61 1xzv h LEU 109 Ca 0.33 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1xzv h LEU 109 Cb -0.10 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 1xzv h LEU 109 CO -0.07 1.26 -0.17 0.00 0.09 0.00 0.00 178.44 179.55 1xzv h ALA 110 N 0.74 -0.17 0.00 1.53 0.00 -0.23 0.53 119.26 121.66 1xzv h ALA 110 Ca -0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xzv h ALA 110 Cb 1.26 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.37 1xzv h ALA 110 CO 0.13 -0.65 -0.03 0.00 0.00 0.00 0.00 179.25 178.70 1xzv h ALA 111 N 0.70 1.33 0.00 0.00 0.00 -1.44 -3.21 119.26 116.64 1xzv h ALA 111 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xzv h ALA 111 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xzv h ALA 111 CO -0.20 0.04 -1.22 0.72 0.00 0.00 0.00 179.25 178.59 1xzv n HIS 112 N -3.60 0.00 -3.06 0.00 -0.00 -0.81 -4.78 115.22 102.97 1xzv n HIS 112 Ca -0.03 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.46 1xzv n HIS 112 Cb 0.13 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.99 29.95 1xzv n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1xzv n LEU 113 N -1.68 3.10 0.07 2.41 4.77 0.18 -4.96 117.00 120.89 1xzv n LEU 113 Ca -0.01 -5.42 -0.13 0.00 -0.03 0.00 0.00 56.01 50.42 1xzv n LEU 113 Cb 0.15 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.07 1xzv n LEU 113 CO 0.12 2.31 0.60 1.55 -1.33 0.00 0.00 177.39 180.65 1xzv h PRO 114 N 3.09 -0.54 -0.86 3.23 0.13 -1.78 0.12 132.00 135.39 1xzv h PRO 114 Ca 0.12 0.04 0.09 0.00 -0.87 0.00 0.00 66.00 65.38 1xzv h PRO 114 Cb 0.68 0.12 -0.06 0.00 0.13 0.00 0.00 31.00 31.87 1xzv h PRO 114 CO 0.70 -0.36 0.56 0.00 -0.23 0.00 0.00 178.00 178.67 1xzv h ALA 115 N 0.02 1.64 0.00 -0.56 0.00 -1.93 -2.67 119.26 115.76 1xzv h ALA 115 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xzv h ALA 115 Cb 0.63 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xzv h ALA 115 CO -0.29 0.20 -0.59 0.39 0.00 0.00 0.00 179.25 178.97 1xzv n GLU 116 N -4.51 0.25 -1.78 0.00 4.71 -0.88 -4.49 120.64 113.95 1xzv n GLU 116 Ca 0.14 0.08 -0.38 0.00 -0.01 0.00 0.00 57.16 56.99 1xzv n GLU 116 Cb 0.28 -1.66 -0.02 0.00 -1.01 0.00 0.00 31.44 29.03 1xzv n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1xzv n PHE 117 N -2.03 2.38 -1.47 -0.32 7.35 0.38 -4.79 117.46 118.96 1xzv n PHE 117 Ca 0.04 -2.75 -0.30 0.00 -0.76 0.00 0.00 57.45 53.68 1xzv n PHE 117 Cb 0.43 -1.91 0.09 0.00 0.35 0.00 0.00 39.48 38.43 1xzv n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1xzv s THR 118 N -0.56 3.31 0.25 -2.13 -4.23 -1.26 -4.72 115.64 106.30 1xzv s THR 118 Ca 0.58 0.43 -0.03 0.00 -1.18 0.00 0.00 61.69 61.49 1xzv s THR 118 Cb 0.21 -3.10 0.23 0.00 1.34 0.00 0.00 72.50 71.17 1xzv s THR 118 CO -0.10 -0.56 1.74 -0.65 -0.54 0.00 0.00 174.62 174.52 1xzv h PRO 119 N -1.06 0.50 -0.24 3.99 0.11 -1.98 0.72 132.00 134.04 1xzv h PRO 119 Ca -0.46 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.49 1xzv h PRO 119 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1xzv h PRO 119 CO 0.57 0.33 -0.40 0.00 -0.21 0.00 0.00 178.00 178.29 1xzv h ALA 120 N 1.55 0.86 -0.18 -0.75 0.00 -1.97 -1.76 119.26 117.01 1xzv h ALA 120 Ca 0.43 -0.44 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1xzv h ALA 120 Cb 0.64 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.33 1xzv h ALA 120 CO -0.39 0.64 -0.71 0.28 0.00 0.00 0.00 179.25 179.07 1xzv h VAL 121 N 0.47 1.29 -0.38 0.00 2.07 -1.42 -2.62 116.25 115.65 1xzv h VAL 121 Ca 0.04 -1.93 0.04 0.00 0.82 0.00 0.00 66.70 65.68 1xzv h VAL 121 Cb 0.90 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 1xzv h VAL 121 CO 0.08 0.61 0.14 -0.74 0.02 0.00 0.00 177.57 177.68 1xzv h HIS 122 N 0.54 0.25 -0.20 1.57 6.17 0.57 -1.15 115.15 122.89 1xzv h HIS 122 Ca -0.03 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.07 1xzv h HIS 122 Cb 1.33 -0.06 -0.01 0.00 2.52 0.00 0.00 27.41 31.19 1xzv h HIS 122 CO 0.08 0.10 0.12 0.00 0.71 0.00 0.00 177.93 178.94 1xzv h ALA 123 N 1.24 0.25 0.12 5.26 0.00 -1.29 -1.82 119.26 123.02 1xzv h ALA 123 Ca 0.17 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1xzv h ALA 123 Cb 0.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1xzv h ALA 123 CO -0.17 -0.28 -0.09 0.77 0.00 0.00 0.00 179.25 179.47 1xzv h SER 124 N 0.25 -0.24 -0.58 0.00 0.02 -1.18 -2.02 113.55 109.81 1xzv h SER 124 Ca 0.08 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 1xzv h SER 124 Cb -0.01 0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.57 1xzv h SER 124 CO -0.03 -0.15 0.36 -0.07 -1.14 0.00 0.00 176.83 175.80 1xzv h LEU 125 N -0.22 0.60 -0.01 5.07 3.38 -1.18 -1.37 115.31 121.57 1xzv h LEU 125 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1xzv h LEU 125 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xzv h LEU 125 CO -0.01 0.42 -0.08 -0.78 0.09 0.00 0.00 178.44 178.09 1xzv h ASP 126 N 0.72 -0.22 -0.58 -0.43 3.58 -1.19 -0.41 116.42 117.89 1xzv h ASP 126 Ca 0.23 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.73 1xzv h ASP 126 Cb -0.01 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1xzv h ASP 126 CO -0.08 -0.11 0.38 0.11 -2.88 0.00 0.00 179.24 176.66 1xzv h LYS 127 N -0.13 0.70 0.13 0.28 1.57 -1.13 -0.78 116.57 117.21 1xzv h LYS 127 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1xzv h LYS 127 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1xzv h LYS 127 CO -0.09 0.46 -0.06 0.35 -0.57 0.00 0.00 179.45 179.54 1xzv h PHE 128 N 0.72 -0.17 -0.44 -1.35 3.57 -0.78 0.16 116.94 118.65 1xzv h PHE 128 Ca 0.22 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 1xzv h PHE 128 Cb 0.02 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 1xzv h PHE 128 CO -0.00 0.09 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.10 1xzv h LEU 129 N -0.42 0.68 -0.34 0.59 3.38 -0.89 0.53 115.31 118.85 1xzv h LEU 129 Ca -0.02 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1xzv h LEU 129 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xzv h LEU 129 CO 0.03 0.75 0.08 0.00 0.09 0.00 0.00 178.44 179.39 1xzv h ALA 130 N 1.33 0.44 -0.81 1.53 0.00 -0.90 0.14 119.26 120.99 1xzv h ALA 130 Ca 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1xzv h ALA 130 Cb 0.42 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1xzv h ALA 130 CO 0.02 0.11 0.46 0.77 0.00 0.00 0.00 179.25 180.60 1xzv h SER 131 N 0.39 1.01 -0.81 0.00 0.02 -0.12 -0.67 113.55 113.36 1xzv h SER 131 Ca 0.11 -0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 1xzv h SER 131 Cb 0.29 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1xzv h SER 131 CO 0.00 0.80 0.40 0.58 -1.14 0.00 0.00 176.83 177.48 1xzv h VAL 132 N 1.13 1.25 -0.28 2.27 2.07 -0.65 -2.00 116.25 120.03 1xzv h VAL 132 Ca 0.29 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 67.12 1xzv h VAL 132 Cb 0.01 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1xzv h VAL 132 CO -0.05 0.29 0.13 0.28 0.02 0.00 0.00 177.57 178.25 1xzv h SER 133 N 1.14 0.37 -0.25 0.57 0.02 -0.38 -1.55 113.55 113.48 1xzv h SER 133 Ca 0.28 -0.13 0.03 0.00 -0.84 0.00 0.00 61.79 61.13 1xzv h SER 133 Cb 0.09 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1xzv h SER 133 CO -0.04 0.40 0.05 0.74 -1.14 0.00 0.00 176.83 176.85 1xzv h THR 134 N 0.32 0.89 0.11 -2.27 2.02 -0.97 -1.97 112.91 111.04 1xzv h THR 134 Ca 0.10 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1xzv h THR 134 Cb 0.13 0.72 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1xzv h THR 134 CO -0.01 0.03 -0.05 0.58 0.37 0.00 0.00 175.52 176.43 1xzv h VAL 135 N 0.15 0.90 0.00 3.16 2.07 -1.23 -0.63 116.25 120.67 1xzv h VAL 135 Ca 0.11 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1xzv h VAL 135 Cb 0.11 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1xzv h VAL 135 CO -0.15 0.01 -0.01 -0.07 0.02 0.00 0.00 177.57 177.37 1xzv h LEU 136 N -0.16 0.00 -2.41 2.57 3.38 -1.06 -2.73 115.31 114.91 1xzv h LEU 136 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1xzv h LEU 136 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1xzv h LEU 136 CO 0.02 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1xzv n THR 137 N -3.23 0.68 0.21 0.22 -2.24 -0.76 -4.50 114.28 104.67 1xzv n THR 137 Ca -0.02 -0.84 0.08 0.00 -2.27 0.00 0.00 64.05 61.00 1xzv n THR 137 Cb 0.12 0.71 0.44 0.00 -2.10 0.00 0.00 70.33 69.50 1xzv n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1xzv h SER 138 N 1.45 0.00 -0.65 3.42 4.64 -0.79 -3.16 113.55 118.46 1xzv h SER 138 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1xzv h SER 138 Cb 0.55 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.58 1xzv h SER 138 CO 0.00 0.28 0.12 0.29 -0.87 0.00 0.00 176.83 176.65 1xzv n LYS 139 N -3.51 4.36 0.18 4.77 5.02 -1.26 -4.54 118.16 123.17 1xzv n LYS 139 Ca -0.00 -3.14 0.03 0.00 -2.02 0.00 0.00 58.31 53.18 1xzv n LYS 139 Cb 0.43 -2.25 0.38 0.00 -0.02 0.00 0.00 35.03 33.58 1xzv n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1xzv h TYR 140 N 3.37 0.04 0.00 2.13 0.99 -1.87 -3.46 116.97 118.17 1xzv h TYR 140 Ca 0.12 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1xzv h TYR 140 Cb 2.15 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 39.87 1xzv h TYR 140 CO 1.19 0.35 0.00 2.89 -0.00 0.00 0.00 178.16 182.58