#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzz s LEU 2 N 0.00 4.15 0.89 4.03 1.43 -1.26 -5.04 118.68 122.88 1bzz s LEU 2 Ca 0.00 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1bzz s LEU 2 Cb 0.00 -3.00 0.12 0.00 0.03 0.00 0.00 46.19 43.35 1bzz s LEU 2 CO 0.00 -1.03 1.10 -0.94 0.23 0.00 0.00 176.35 175.71 1bzz s SER 3 N 2.35 3.60 0.32 2.29 1.04 -1.26 -4.74 113.70 117.30 1bzz s SER 3 Ca 0.32 1.34 0.03 0.00 0.48 0.00 0.00 55.95 58.12 1bzz s SER 3 Cb -0.12 -2.03 0.61 0.00 0.10 0.00 0.00 66.02 64.59 1bzz s SER 3 CO 0.23 -2.54 1.91 -0.65 0.98 0.00 0.00 173.24 173.17 1bzz h PRO 4 N -1.48 0.90 -0.15 4.02 0.11 -1.99 0.17 132.00 133.58 1bzz h PRO 4 Ca -0.50 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.44 1bzz h PRO 4 Cb 1.29 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1bzz h PRO 4 CO 0.57 0.60 -0.43 0.00 -0.21 0.00 0.00 178.00 178.53 1bzz h ALA 5 N 1.54 1.00 -0.39 -0.75 0.00 -1.99 -0.80 119.26 117.87 1bzz h ALA 5 Ca 0.39 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1bzz h ALA 5 Cb 0.30 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1bzz h ALA 5 CO -0.16 0.62 0.09 -0.44 0.00 0.00 0.00 179.25 179.37 1bzz h ASP 6 N 0.29 0.59 -0.67 0.00 3.32 -1.35 -0.92 116.42 117.69 1bzz h ASP 6 Ca 0.02 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1bzz h ASP 6 Cb 0.87 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.23 1bzz h ASP 6 CO 0.07 0.67 0.39 0.11 -1.72 0.00 0.00 179.24 178.77 1bzz h LYS 7 N 0.49 0.92 -0.30 3.56 6.56 -0.56 -0.28 116.57 126.95 1bzz h LYS 7 Ca 0.12 -0.09 0.03 0.00 -1.06 0.00 0.00 60.65 59.65 1bzz h LYS 7 Cb 0.31 -0.19 -0.03 0.00 -0.57 0.00 0.00 32.23 31.75 1bzz h LYS 7 CO 0.00 0.67 0.11 1.15 -2.06 0.00 0.00 179.45 179.32 1bzz h THR 8 N 0.91 0.93 -0.30 -0.16 2.02 -0.96 -1.28 112.91 114.08 1bzz h THR 8 Ca 0.24 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.35 1bzz h THR 8 Cb -0.00 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1bzz h THR 8 CO -0.04 0.05 0.16 0.78 0.37 0.00 0.00 175.52 176.83 1bzz h ASN 9 N 0.25 0.25 -0.06 4.18 2.35 -0.75 -0.38 115.58 121.41 1bzz h ASN 9 Ca 0.13 0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1bzz h ASN 9 Cb 0.10 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 38.42 1bzz h ASN 9 CO -0.13 0.18 0.02 0.58 -1.65 0.00 0.00 177.43 176.44 1bzz h VAL 10 N 0.33 1.15 -0.85 2.81 2.07 -0.94 -0.05 116.25 120.76 1bzz h VAL 10 Ca 0.12 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.20 1bzz h VAL 10 Cb 0.02 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.09 1bzz h VAL 10 CO -0.07 0.13 0.56 0.11 0.02 0.00 0.00 177.57 178.32 1bzz h LYS 11 N -0.07 1.08 0.11 1.57 1.57 -1.11 0.38 116.57 120.10 1bzz h LYS 11 Ca 0.02 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1bzz h LYS 11 Cb 0.19 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1bzz h LYS 11 CO -0.00 0.71 -0.05 0.00 -0.57 0.00 0.00 179.45 179.54 1bzz h ALA 12 N 1.34 -0.15 -0.19 3.86 0.00 -0.90 -0.78 119.26 122.43 1bzz h ALA 12 Ca 0.33 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1bzz h ALA 12 Cb -0.06 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1bzz h ALA 12 CO -0.09 -0.54 0.10 0.00 0.00 0.00 0.00 179.25 178.72 1bzz h ALA 13 N 0.63 0.25 -0.21 0.00 0.00 -0.64 -2.50 119.26 116.79 1bzz h ALA 13 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1bzz h ALA 13 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bzz h ALA 13 CO 0.03 -0.19 0.06 2.35 0.00 0.00 0.00 179.25 181.49 1bzz h TRP 14 N 0.19 0.28 0.08 0.00 2.91 -0.94 -2.36 115.95 116.11 1bzz h TRP 14 Ca 0.07 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.10 1bzz h TRP 14 Cb 0.11 -0.09 -0.03 0.00 -0.51 0.00 0.00 29.16 28.64 1bzz h TRP 14 CO -0.03 0.25 -0.23 0.78 -1.03 0.00 0.00 178.44 178.18 1bzz h GLY 15 N 0.46 -0.40 2.00 2.65 0.00 -0.71 -1.46 103.07 105.60 1bzz h GLY 15 Ca 0.07 0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1bzz h GLY 15 CO -0.00 -0.20 -0.14 0.50 0.00 0.00 0.00 176.54 176.69 1bzz h LYS 16 N -0.41 0.00 0.29 4.80 1.79 -1.08 -2.66 116.57 119.30 1bzz h LYS 16 Ca 0.04 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1bzz h LYS 16 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1bzz h LYS 16 CO -0.15 0.14 -0.14 0.28 -1.08 0.00 0.00 179.45 178.50 1bzz h VAL 17 N 0.00 0.74 0.00 0.50 2.07 -0.78 -3.45 116.25 115.32 1bzz h VAL 17 Ca -0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1bzz h VAL 17 Cb 0.32 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1bzz h VAL 17 CO 0.02 0.03 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1bzz n GLY 18 N -1.09 3.51 0.30 2.17 0.00 -0.84 -2.06 105.19 107.20 1bzz n GLY 18 Ca -0.10 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 45.98 1bzz n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bzz h ALA 19 N -0.97 1.10 0.00 4.61 0.00 -1.88 -2.71 119.26 119.41 1bzz h ALA 19 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bzz h ALA 19 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1bzz h ALA 19 CO 0.00 0.03 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1bzz n HIS 20 N -3.25 0.00 -0.27 0.00 8.25 -0.87 -4.23 115.22 114.85 1bzz n HIS 20 Ca -0.02 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 1bzz n HIS 20 Cb 0.17 -0.13 0.16 0.00 1.12 0.00 0.00 29.99 31.31 1bzz n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1bzz h ALA 21 N 3.71 0.80 -0.55 -1.41 0.00 -1.63 -0.33 119.26 119.85 1bzz h ALA 21 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1bzz h ALA 21 Cb 0.13 0.44 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1bzz h ALA 21 CO 0.00 -0.43 0.29 0.78 0.00 0.00 0.00 179.25 179.89 1bzz h GLY 22 N 0.09 0.82 1.45 0.00 0.00 -1.85 -0.37 103.07 103.21 1bzz h GLY 22 Ca 0.43 -0.38 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1bzz h GLY 22 CO -0.70 0.37 -0.01 -2.09 0.00 0.00 0.00 176.54 174.12 1bzz h GLU 23 N 0.74 0.68 -0.21 4.80 4.81 -1.40 -2.13 114.58 121.86 1bzz h GLU 23 Ca 0.19 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.11 1bzz h GLU 23 Cb 0.06 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1bzz h GLU 23 CO -0.03 0.70 -0.46 1.88 -0.73 0.00 0.00 179.01 180.37 1bzz h TYR 24 N 0.64 0.67 -0.49 0.92 0.05 -0.89 -1.41 116.97 116.46 1bzz h TYR 24 Ca 0.13 -0.21 -0.05 0.00 0.05 0.00 0.00 58.73 58.65 1bzz h TYR 24 Cb 0.41 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1bzz h TYR 24 CO 0.02 0.91 0.11 0.78 -1.05 0.00 0.00 178.16 178.93 1bzz h GLY 25 N 1.07 0.85 0.99 3.88 0.00 -0.69 -1.11 103.07 108.06 1bzz h GLY 25 Ca 0.03 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.74 1bzz h GLY 25 CO 0.09 0.50 -0.04 0.00 0.00 0.00 0.00 176.54 177.08 1bzz h ALA 26 N 0.98 0.60 -0.69 3.60 0.00 -1.31 -2.00 119.26 120.45 1bzz h ALA 26 Ca 0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1bzz h ALA 26 Cb 0.34 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1bzz h ALA 26 CO 0.00 0.44 0.29 1.49 0.00 0.00 0.00 179.25 181.47 1bzz h GLU 27 N 0.65 1.02 -0.58 0.00 4.81 -1.13 -1.65 114.58 117.69 1bzz h GLU 27 Ca 0.12 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 1bzz h GLU 27 Cb 0.56 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1bzz h GLU 27 CO 0.03 0.83 0.33 0.00 -0.73 0.00 0.00 179.01 179.48 1bzz h ALA 28 N 1.13 0.75 -0.16 2.92 0.00 -1.01 0.10 119.26 122.99 1bzz h ALA 28 Ca 0.23 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 1bzz h ALA 28 Cb 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bzz h ALA 28 CO -0.02 0.04 0.10 -0.07 0.00 0.00 0.00 179.25 179.29 1bzz h LEU 29 N 0.65 0.20 -0.80 0.00 3.38 -1.10 -1.36 115.31 116.27 1bzz h LEU 29 Ca 0.24 -0.06 0.06 0.00 0.09 0.00 0.00 57.88 58.21 1bzz h LEU 29 Cb 0.08 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 1bzz h LEU 29 CO -0.13 0.20 0.49 -0.08 0.09 0.00 0.00 178.44 179.02 1bzz h GLU 30 N 0.18 0.88 -0.82 1.13 4.81 -0.72 0.22 114.58 120.26 1bzz h GLU 30 Ca 0.06 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1bzz h GLU 30 Cb 0.04 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.19 1bzz h GLU 30 CO -0.01 0.58 0.39 0.00 -0.73 0.00 0.00 179.01 179.24 1bzz h ARG 31 N 0.91 1.18 -0.03 1.92 3.08 -0.49 -2.08 114.38 118.86 1bzz h ARG 31 Ca 0.35 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1bzz h ARG 31 Cb 0.14 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.98 1bzz h ARG 31 CO -0.16 0.91 0.01 1.98 -1.07 0.00 0.00 179.97 181.64 1bzz h MET 32 N 1.17 0.05 -0.80 0.04 4.05 -0.33 0.47 114.93 119.58 1bzz h MET 32 Ca 0.28 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.67 1bzz h MET 32 Cb 0.12 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.88 1bzz h MET 32 CO -0.03 0.25 0.42 0.74 0.23 0.00 0.00 176.91 178.52 1bzz h PHE 33 N -0.17 1.10 -0.10 1.39 0.04 -0.84 0.30 116.94 118.67 1bzz h PHE 33 Ca 0.01 -0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.55 1bzz h PHE 33 Cb 0.23 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.04 1bzz h PHE 33 CO 0.00 0.78 -0.73 -0.07 -0.60 0.00 0.00 178.31 177.69 1bzz h LEU 34 N 1.12 0.82 0.05 1.54 3.38 -1.27 -3.28 115.31 117.68 1bzz h LEU 34 Ca 0.28 -0.66 -0.25 0.00 0.09 0.00 0.00 57.88 57.34 1bzz h LEU 34 Cb 0.05 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1bzz h LEU 34 CO -0.04 1.35 -1.20 0.28 0.09 0.00 0.00 178.44 178.93 1bzz h SER 35 N 0.35 0.18 -2.68 -0.43 0.02 -0.74 -3.40 113.55 106.85 1bzz h SER 35 Ca -0.06 -0.21 -0.60 0.00 -0.84 0.00 0.00 61.79 60.08 1bzz h SER 35 Cb 1.38 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 63.46 1bzz h SER 35 CO 0.15 1.17 -0.78 0.49 -1.14 0.00 0.00 176.83 176.71 1bzz n PHE 36 N -3.40 1.18 0.25 3.45 3.72 0.10 -4.99 117.46 117.77 1bzz n PHE 36 Ca -0.06 -3.81 0.18 0.00 -0.05 0.00 0.00 57.45 53.71 1bzz n PHE 36 Cb 0.99 -0.19 0.89 0.00 -0.94 0.00 0.00 39.48 40.22 1bzz n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bzz h PRO 37 N 5.42 0.00 0.00 -1.08 0.13 -1.74 -1.11 132.00 133.61 1bzz h PRO 37 Ca 0.21 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.33 1bzz h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1bzz h PRO 37 CO 0.55 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.06 1bzz h THR 38 N 0.00 0.27 0.00 1.56 1.35 -1.91 -1.43 112.91 112.75 1bzz h THR 38 Ca 0.06 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 1bzz h THR 38 Cb 0.46 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1bzz h THR 38 CO -0.00 0.05 0.00 0.71 -0.25 0.00 0.00 175.52 176.02 1bzz h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.52 -2.48 112.91 117.08 1bzz h THR 39 Ca -0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1bzz h THR 39 Cb 0.23 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1bzz h THR 39 CO 0.01 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.39 1bzz h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.45 -2.97 116.57 118.45 1bzz h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bzz h LYS 40 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1bzz h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1bzz h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.62 -1.62 112.91 110.84 1bzz h THR 41 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 1bzz h THR 41 Cb 0.44 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.74 1bzz h THR 41 CO 0.00 0.00 -0.18 -1.22 -0.25 0.00 0.00 175.52 173.87 1bzz n TYR 42 N -2.70 0.00 -2.95 4.73 4.01 -1.12 -4.36 117.16 114.77 1bzz n TYR 42 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1bzz n TYR 42 Cb 0.11 -0.06 -0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1bzz n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1bzz n PHE 43 N -0.15 1.66 0.30 -0.72 3.01 -0.61 -4.87 117.46 116.08 1bzz n PHE 43 Ca 0.14 -3.59 0.17 0.00 1.01 0.00 0.00 57.45 55.18 1bzz n PHE 43 Cb 0.38 -0.39 0.68 0.00 -0.01 0.00 0.00 39.48 40.14 1bzz n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bzz h PRO 44 N 2.95 0.00 -0.13 -1.08 0.13 -1.76 -2.21 132.00 129.90 1bzz h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1bzz h PRO 44 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1bzz h PRO 44 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1bzz n HIS 45 N -2.96 0.16 -4.13 1.56 1.44 -1.26 -4.92 115.22 105.11 1bzz n HIS 45 Ca 0.01 -0.08 -0.27 0.00 -2.01 0.00 0.00 57.72 55.37 1bzz n HIS 45 Cb 0.28 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.33 1bzz n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1bzz s PHE 46 N -1.84 3.03 -0.42 -1.40 0.40 -0.83 -5.07 117.98 111.83 1bzz s PHE 46 Ca 0.34 -0.06 -0.23 0.00 -0.60 0.00 0.00 56.93 56.39 1bzz s PHE 46 Cb 0.19 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 42.27 1bzz s PHE 46 CO 0.30 0.52 0.79 0.34 0.70 0.00 0.00 175.22 177.86 1bzz s ASP 47 N -2.93 6.46 -0.04 1.36 -1.08 -1.26 -4.91 116.67 114.28 1bzz s ASP 47 Ca 0.29 0.06 0.13 0.00 -0.52 0.00 0.00 52.55 52.51 1bzz s ASP 47 Cb -0.10 -2.39 0.43 0.00 -1.46 0.00 0.00 42.92 39.40 1bzz s ASP 47 CO 0.21 -0.86 1.33 0.18 0.52 0.00 0.00 175.17 176.55 1bzz n LEU 48 N 6.64 2.83 -4.76 -1.34 4.77 -1.26 -4.53 117.00 119.35 1bzz n LEU 48 Ca 0.03 -1.42 -0.33 0.00 -0.03 0.00 0.00 56.01 54.26 1bzz n LEU 48 Cb 0.48 -0.38 0.06 0.00 -2.33 0.00 0.00 43.42 41.25 1bzz n LEU 48 CO 0.57 0.59 0.74 -0.94 -1.33 0.00 0.00 177.39 177.02 1bzz s SER 49 N -0.88 4.89 0.21 -1.43 1.04 -1.26 -4.89 113.70 111.37 1bzz s SER 49 Ca 0.32 2.02 -0.32 0.00 0.48 0.00 0.00 55.95 58.44 1bzz s SER 49 Cb 0.18 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.63 1bzz s SER 49 CO 0.18 -1.78 1.69 1.57 0.98 0.00 0.00 173.24 175.88 1bzz n HIS 50 N -2.63 2.68 -0.14 5.02 -0.00 -1.26 -0.55 115.22 118.34 1bzz n HIS 50 Ca 0.11 0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1bzz n HIS 50 Cb 0.52 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 1bzz n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bzz n GLY 51 N 3.75 1.14 3.62 1.57 0.00 -1.26 -5.01 105.19 109.00 1bzz n GLY 51 Ca 0.16 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.68 1bzz n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1bzz n SER 52 N 0.00 2.20 0.20 1.61 2.88 0.28 -4.85 113.62 115.93 1bzz n SER 52 Ca 0.00 1.11 0.04 0.00 -1.33 0.00 0.00 58.87 58.69 1bzz n SER 52 Cb 0.00 -1.29 0.41 0.00 -0.75 0.00 0.00 64.21 62.58 1bzz n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1bzz h ALA 53 N 4.92 1.36 -0.69 -1.46 0.00 -1.89 -1.67 119.26 119.82 1bzz h ALA 53 Ca -0.46 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 1bzz h ALA 53 Cb 1.30 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1bzz h ALA 53 CO 0.81 0.42 0.13 1.96 0.00 0.00 0.00 179.25 182.56 1bzz h GLN 54 N 0.00 1.13 -0.26 0.00 4.20 -1.89 0.31 115.11 118.60 1bzz h GLN 54 Ca -0.00 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.30 1bzz h GLN 54 Cb 0.62 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 1bzz h GLN 54 CO 0.04 1.02 -0.28 0.28 -0.67 0.00 0.00 178.83 179.22 1bzz h VAL 55 N 1.06 1.31 -0.51 -0.54 2.07 -1.73 -0.72 116.25 117.19 1bzz h VAL 55 Ca 0.21 -1.46 0.01 0.00 0.82 0.00 0.00 66.70 66.29 1bzz h VAL 55 Cb 0.42 1.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1bzz h VAL 55 CO 0.01 0.46 0.32 0.11 0.02 0.00 0.00 177.57 178.49 1bzz h LYS 56 N 0.37 0.64 -0.46 1.57 1.57 -1.16 0.27 116.57 119.37 1bzz h LYS 56 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1bzz h LYS 56 Cb 0.85 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.00 1bzz h LYS 56 CO 0.07 0.42 0.22 0.78 -0.57 0.00 0.00 179.45 180.36 1bzz h GLY 57 N 0.65 0.71 1.07 3.86 0.00 -0.22 -2.29 103.07 106.86 1bzz h GLY 57 Ca 0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.06 1bzz h GLY 57 CO -0.06 0.34 -0.06 0.84 0.00 0.00 0.00 176.54 177.59 1bzz h HIS 58 N 0.60 1.11 -1.00 5.60 -0.00 -0.86 -2.29 115.15 118.31 1bzz h HIS 58 Ca 0.16 -0.22 0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1bzz h HIS 58 Cb 0.13 -0.28 -0.08 0.00 -0.00 0.00 0.00 27.41 27.19 1bzz h HIS 58 CO -0.01 1.02 0.63 0.78 -0.00 0.00 0.00 177.93 180.36 1bzz h GLY 59 N 0.88 1.57 1.18 5.26 0.00 -0.29 -0.28 103.07 111.38 1bzz h GLY 59 Ca 0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1bzz h GLY 59 CO 0.04 0.25 -0.14 1.70 0.00 0.00 0.00 176.54 178.39 1bzz h LYS 60 N 1.08 0.95 -0.61 4.80 3.11 -1.12 -0.54 116.57 124.24 1bzz h LYS 60 Ca 0.46 -0.36 -0.02 0.00 -2.81 0.00 0.00 60.65 57.92 1bzz h LYS 60 Cb 0.32 -0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 1bzz h LYS 60 CO -0.22 1.03 0.31 0.87 -2.81 0.00 0.00 179.45 178.63 1bzz h LYS 61 N 0.84 0.86 -0.31 1.90 1.57 -0.75 -0.11 116.57 120.58 1bzz h LYS 61 Ca 0.13 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1bzz h LYS 61 Cb 0.69 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1bzz h LYS 61 CO 0.05 0.68 0.08 0.28 -0.57 0.00 0.00 179.45 179.97 1bzz h VAL 62 N 0.83 1.22 -0.67 0.50 2.07 -0.91 -2.17 116.25 117.11 1bzz h VAL 62 Ca 0.21 -0.72 -0.05 0.00 0.82 0.00 0.00 66.70 66.96 1bzz h VAL 62 Cb 0.08 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1bzz h VAL 62 CO -0.03 0.24 0.23 0.00 0.02 0.00 0.00 177.57 178.03 1bzz h ALA 63 N 0.91 0.88 -0.91 1.67 0.00 -0.94 -1.67 119.26 119.19 1bzz h ALA 63 Ca 0.10 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1bzz h ALA 63 Cb 0.29 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1bzz h ALA 63 CO 0.00 0.53 0.52 -0.44 0.00 0.00 0.00 179.25 179.86 1bzz h ASP 64 N 0.97 1.13 -0.80 0.00 3.32 -0.95 0.14 116.42 120.22 1bzz h ASP 64 Ca 0.22 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1bzz h ASP 64 Cb 0.27 -0.29 -0.04 0.00 0.22 0.00 0.00 39.33 39.49 1bzz h ASP 64 CO -0.01 0.89 0.43 0.00 -1.72 0.00 0.00 179.24 178.83 1bzz h ALA 65 N 1.28 1.03 -0.47 3.45 0.00 -0.93 -1.47 119.26 122.16 1bzz h ALA 65 Ca 0.32 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 1bzz h ALA 65 Cb 0.00 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1bzz h ALA 65 CO -0.05 0.54 -0.17 -0.07 0.00 0.00 0.00 179.25 179.50 1bzz h LEU 66 N 1.12 0.93 -0.81 0.00 -0.00 -0.71 -0.62 115.31 115.23 1bzz h LEU 66 Ca 0.28 -0.33 0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1bzz h LEU 66 Cb 0.04 -0.25 -0.04 0.00 -0.00 0.00 0.00 40.66 40.41 1bzz h LEU 66 CO -0.04 1.08 0.53 0.74 -0.00 0.00 0.00 178.44 180.75 1bzz h THR 67 N 0.81 1.21 -0.62 0.22 2.02 -0.21 0.04 112.91 116.37 1bzz h THR 67 Ca 0.12 -0.37 -0.07 0.00 0.77 0.00 0.00 66.41 66.86 1bzz h THR 67 Cb 0.72 0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1bzz h THR 67 CO 0.06 0.20 0.12 -1.13 0.37 0.00 0.00 175.52 175.14 1bzz h ASN 68 N 1.09 0.94 -0.52 4.18 -1.24 -1.03 -2.00 115.58 117.00 1bzz h ASN 68 Ca 0.30 -0.20 -0.07 0.00 0.71 0.00 0.00 56.30 57.03 1bzz h ASN 68 Cb -0.13 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 38.66 1bzz h ASN 68 CO -0.06 0.92 0.04 0.00 -1.29 0.00 0.00 177.43 177.04 1bzz h ALA 69 N 1.19 0.69 -0.42 1.57 0.00 -0.28 -2.21 119.26 119.81 1bzz h ALA 69 Ca 0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1bzz h ALA 69 Cb 0.38 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1bzz h ALA 69 CO 0.01 0.47 0.17 0.28 0.00 0.00 0.00 179.25 180.18 1bzz h VAL 70 N 0.76 1.20 -0.10 0.00 2.07 -0.73 -1.12 116.25 118.34 1bzz h VAL 70 Ca 0.15 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 67.07 1bzz h VAL 70 Cb 0.47 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1bzz h VAL 70 CO 0.02 0.22 0.06 0.00 0.02 0.00 0.00 177.57 177.90 1bzz h ALA 71 N 1.02 1.94 -0.57 1.67 0.00 -1.22 -2.73 119.26 119.36 1bzz h ALA 71 Ca 0.14 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.63 1bzz h ALA 71 Cb 0.19 -0.04 -0.30 0.00 0.00 0.00 0.00 17.79 17.64 1bzz h ALA 71 CO -0.01 0.05 -0.56 0.72 0.00 0.00 0.00 179.25 179.45 1bzz n HIS 72 N -4.52 2.06 0.33 0.00 8.25 -0.84 -4.84 115.22 115.65 1bzz n HIS 72 Ca -0.02 -2.07 0.21 0.00 -0.26 0.00 0.00 57.72 55.58 1bzz n HIS 72 Cb 0.09 -0.42 1.12 0.00 1.12 0.00 0.00 29.99 31.91 1bzz n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1bzz h VAL 73 N 1.74 0.00 0.00 1.59 3.04 -0.88 0.28 116.25 122.02 1bzz h VAL 73 Ca 0.30 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1bzz h VAL 73 Cb 1.38 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1bzz h VAL 73 CO 0.63 0.00 -0.68 0.47 -1.01 0.00 0.00 177.57 176.97 1bzz n ASP 74 N -3.00 0.62 -2.83 3.17 8.00 -1.26 -4.41 116.55 116.83 1bzz n ASP 74 Ca -0.03 -0.08 -0.12 0.00 0.71 0.00 0.00 54.79 55.28 1bzz n ASP 74 Cb 0.13 0.34 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1bzz n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bzz n ASP 75 N -1.88 1.21 -0.18 -2.24 2.03 0.03 -4.97 116.55 110.54 1bzz n ASP 75 Ca 0.04 -2.81 -0.09 0.00 0.52 0.00 0.00 54.79 52.45 1bzz n ASP 75 Cb 0.41 -0.54 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 1bzz n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1bzz h MET 76 N 2.99 0.88 -0.98 -0.67 2.86 -1.63 -1.86 114.93 116.53 1bzz h MET 76 Ca -0.04 -0.25 0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1bzz h MET 76 Cb 1.11 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 32.61 1bzz h MET 76 CO 0.49 0.88 0.63 -1.35 1.06 0.00 0.00 176.91 178.62 1bzz h PRO 77 N 0.76 1.04 0.05 -0.22 0.11 -1.93 0.88 132.00 132.69 1bzz h PRO 77 Ca 0.16 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 66.00 1bzz h PRO 77 Cb 0.44 -0.24 0.02 0.00 0.11 0.00 0.00 31.00 31.34 1bzz h PRO 77 CO 0.02 0.69 -0.82 -0.97 -0.21 0.00 0.00 178.00 176.71 1bzz h ASN 78 N 1.07 0.63 -0.72 -2.05 -1.24 -1.94 -2.37 115.58 108.96 1bzz h ASN 78 Ca 0.44 -0.81 0.01 0.00 0.71 0.00 0.00 56.30 56.66 1bzz h ASN 78 Cb 0.29 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 1bzz h ASN 78 CO -0.19 1.37 0.48 0.00 -1.29 0.00 0.00 177.43 177.79 1bzz h ALA 79 N 0.28 1.50 -0.54 1.57 0.00 -0.78 -2.77 119.26 118.51 1bzz h ALA 79 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1bzz h ALA 79 Cb 1.54 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1bzz h ALA 79 CO 0.16 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.15 1bzz n LEU 80 N -4.43 5.14 -0.18 0.00 4.77 0.25 -4.65 117.00 117.91 1bzz n LEU 80 Ca 0.08 -2.80 -0.01 0.00 -0.03 0.00 0.00 56.01 53.25 1bzz n LEU 80 Cb 0.04 -0.63 0.08 0.00 -2.33 0.00 0.00 43.42 40.59 1bzz n LEU 80 CO 0.36 0.69 0.92 -1.28 -1.33 0.00 0.00 177.39 176.75 1bzz h SER 81 N 3.63 0.02 -0.19 -1.43 0.87 -1.12 0.10 113.55 115.44 1bzz h SER 81 Ca 0.00 0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1bzz h SER 81 Cb 1.73 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.81 1bzz h SER 81 CO 0.37 0.03 -0.26 0.00 -0.53 0.00 0.00 176.83 176.44 1bzz h ALA 82 N 1.42 0.93 -0.09 6.23 0.00 -1.83 -1.66 119.26 124.27 1bzz h ALA 82 Ca 0.28 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1bzz h ALA 82 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1bzz h ALA 82 CO -0.35 0.61 -0.54 -0.07 0.00 0.00 0.00 179.25 178.90 1bzz h LEU 83 N 0.57 0.27 -0.46 0.00 3.38 -1.63 -1.28 115.31 116.17 1bzz h LEU 83 Ca 0.08 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 1bzz h LEU 83 Cb 0.74 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1bzz h LEU 83 CO 0.06 0.76 0.02 0.28 0.09 0.00 0.00 178.44 179.65 1bzz h SER 84 N 0.19 0.78 -0.52 -0.43 0.02 -0.51 -1.35 113.55 111.72 1bzz h SER 84 Ca 0.00 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1bzz h SER 84 Cb 1.01 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.31 1bzz h SER 84 CO 0.08 0.88 0.33 0.44 -1.14 0.00 0.00 176.83 177.42 1bzz h ASP 85 N 0.65 0.54 -0.19 3.07 3.32 -1.15 -0.44 116.42 122.23 1bzz h ASP 85 Ca 0.13 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.19 1bzz h ASP 85 Cb 0.47 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1bzz h ASP 85 CO 0.02 0.39 0.11 0.25 -1.72 0.00 0.00 179.24 178.29 1bzz h LEU 86 N 0.66 0.18 -0.17 1.55 5.85 -1.08 -0.21 115.31 122.08 1bzz h LEU 86 Ca 0.20 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.73 1bzz h LEU 86 Cb -0.02 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 40.98 1bzz h LEU 86 CO -0.07 0.13 -0.67 0.45 -0.34 0.00 0.00 178.44 177.94 1bzz h HIS 87 N 0.23 1.01 -0.49 1.25 3.86 -1.16 -1.36 115.15 118.48 1bzz h HIS 87 Ca 0.08 -0.42 -0.11 0.00 -1.16 0.00 0.00 60.37 58.75 1bzz h HIS 87 Cb -0.00 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1bzz h HIS 87 CO -0.08 1.24 -0.12 0.00 0.86 0.00 0.00 177.93 179.83 1bzz h ALA 88 N 0.56 0.68 0.00 2.45 0.00 -0.98 0.57 119.26 122.53 1bzz h ALA 88 Ca -0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1bzz h ALA 88 Cb 1.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bzz h ALA 88 CO 0.14 0.59 -1.59 0.72 0.00 0.00 0.00 179.25 179.11 1bzz n HIS 89 N -4.20 0.00 0.03 0.00 8.25 -0.10 -4.54 115.22 114.66 1bzz n HIS 89 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 1bzz n HIS 89 Cb 0.40 -0.32 -0.00 0.00 1.12 0.00 0.00 29.99 31.19 1bzz n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1bzz n LYS 90 N -1.96 0.03 -0.06 -0.41 4.81 -0.61 -4.86 118.16 115.10 1bzz n LYS 90 Ca -0.02 0.01 -0.12 0.00 -0.87 0.00 0.00 58.31 57.31 1bzz n LYS 90 Cb 0.43 -0.55 -0.06 0.00 0.02 0.00 0.00 35.03 34.86 1bzz n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1bzz h LEU 91 N -0.06 0.40 -1.66 3.14 3.38 -1.40 -3.48 115.31 115.64 1bzz h LEU 91 Ca -0.01 -0.41 -0.41 0.00 0.09 0.00 0.00 57.88 57.14 1bzz h LEU 91 Cb 0.25 -0.11 0.07 0.00 0.09 0.00 0.00 40.66 40.95 1bzz h LEU 91 CO -0.00 0.72 -0.81 0.54 0.09 0.00 0.00 178.44 178.98 1bzz n ARG 92 N -4.59 -5.32 -2.35 1.13 1.74 0.20 -4.94 116.66 102.54 1bzz n ARG 92 Ca -0.05 0.66 -0.42 0.00 -0.77 0.00 0.00 57.85 57.27 1bzz n ARG 92 Cb 0.32 -5.33 -0.03 0.00 -1.02 0.00 0.00 32.46 26.40 1bzz n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bzz s VAL 93 N -3.58 3.94 0.27 1.55 1.01 -1.25 -4.96 120.40 117.37 1bzz s VAL 93 Ca 0.08 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 1bzz s VAL 93 Cb -0.04 -3.85 -0.13 0.00 0.00 0.00 0.00 36.38 32.36 1bzz s VAL 93 CO 0.80 0.03 1.48 -0.67 0.00 0.00 0.00 175.10 176.74 1bzz n ASP 94 N 4.84 3.22 -0.26 3.32 -0.08 -1.26 -4.82 116.55 121.51 1bzz n ASP 94 Ca 0.11 1.15 0.26 0.00 -1.51 0.00 0.00 54.79 54.80 1bzz n ASP 94 Cb 0.45 -1.50 0.62 0.00 2.34 0.00 0.00 41.12 43.02 1bzz n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bzz h PRO 95 N 4.30 0.21 -0.80 -0.67 0.11 -2.00 -1.76 132.00 131.39 1bzz h PRO 95 Ca -0.46 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.80 1bzz h PRO 95 Cb 1.25 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1bzz h PRO 95 CO 0.76 0.14 0.53 0.28 -0.21 0.00 0.00 178.00 179.50 1bzz h VAL 96 N 0.21 0.77 0.00 3.15 2.07 -2.03 -2.62 116.25 117.80 1bzz h VAL 96 Ca 0.51 -0.15 -0.05 0.00 0.82 0.00 0.00 66.70 67.83 1bzz h VAL 96 Cb 1.63 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1bzz h VAL 96 CO -0.13 0.08 -0.23 0.78 0.02 0.00 0.00 177.57 178.08 1bzz h ASN 97 N 0.44 0.00 -0.48 0.57 4.21 -1.67 -2.88 115.58 115.77 1bzz h ASN 97 Ca 0.40 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.91 1bzz h ASN 97 Cb 0.91 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.09 1bzz h ASN 97 CO -0.14 0.23 0.32 -0.26 -1.29 0.00 0.00 177.43 176.29 1bzz h PHE 98 N 0.00 0.60 -0.19 1.19 -1.00 -1.65 -2.01 116.94 113.88 1bzz h PHE 98 Ca -0.00 0.01 -0.11 0.00 2.81 0.00 0.00 57.97 60.68 1bzz h PHE 98 Cb 0.47 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1bzz h PHE 98 CO 0.00 0.38 -0.35 1.57 -1.61 0.00 0.00 178.31 178.30 1bzz h LYS 99 N 0.65 0.40 -0.24 1.51 2.10 -1.68 -1.39 116.57 117.92 1bzz h LYS 99 Ca 0.18 -0.18 -0.10 0.00 -2.00 0.00 0.00 60.65 58.55 1bzz h LYS 99 Cb -0.08 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.24 1bzz h LYS 99 CO -0.04 0.70 -0.23 -0.07 -2.00 0.00 0.00 179.45 177.82 1bzz h LEU 100 N 0.34 0.62 -0.58 7.07 3.38 -1.48 -1.37 115.31 123.29 1bzz h LEU 100 Ca 0.04 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 1bzz h LEU 100 Cb 0.78 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1bzz h LEU 100 CO 0.06 0.96 0.12 0.25 0.09 0.00 0.00 178.44 179.92 1bzz h LEU 101 N 0.29 0.91 -0.32 1.67 6.46 -1.34 -2.33 115.31 120.65 1bzz h LEU 101 Ca 0.04 -0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.59 1bzz h LEU 101 Cb 0.78 -0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 40.44 1bzz h LEU 101 CO 0.06 0.92 0.13 0.28 -0.62 0.00 0.00 178.44 179.21 1bzz h SER 102 N 0.85 0.17 -0.39 1.25 0.02 -1.19 0.36 113.55 114.62 1bzz h SER 102 Ca 0.18 0.03 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1bzz h SER 102 Cb 0.38 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.87 1bzz h SER 102 CO 0.01 0.13 0.11 -0.74 -1.14 0.00 0.00 176.83 175.20 1bzz h HIS 103 N 0.28 0.19 -0.20 3.45 -0.00 -1.10 -1.06 115.15 116.72 1bzz h HIS 103 Ca 0.14 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.49 1bzz h HIS 103 Cb 0.09 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.46 1bzz h HIS 103 CO -0.12 0.06 -0.08 0.00 -0.00 0.00 0.00 177.93 177.79 1bzz h LEU 105 N 0.29 0.76 -0.17 0.00 -0.00 -0.46 -1.69 115.31 114.05 1bzz h LEU 105 Ca 0.06 -0.42 0.00 0.00 -0.00 0.00 0.00 57.88 57.53 1bzz h LEU 105 Cb 0.33 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.77 1bzz h LEU 105 CO 0.02 1.01 0.11 -0.07 -0.00 0.00 0.00 178.44 179.51 1bzz h LEU 106 N 0.51 0.18 -1.06 1.67 3.38 -0.65 -0.43 115.31 118.92 1bzz h LEU 106 Ca 0.07 -0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1bzz h LEU 106 Cb 0.74 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 1bzz h LEU 106 CO 0.06 0.13 0.63 0.58 0.09 0.00 0.00 178.44 179.93 1bzz h VAL 107 N 0.22 1.14 -0.34 1.22 2.07 -1.04 0.61 116.25 120.13 1bzz h VAL 107 Ca 0.06 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.16 1bzz h VAL 107 Cb -0.02 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.59 1bzz h VAL 107 CO -0.02 0.22 0.15 0.74 0.02 0.00 0.00 177.57 178.68 1bzz h THR 108 N 1.18 1.17 -0.27 2.57 2.02 -0.92 -1.70 112.91 116.96 1bzz h THR 108 Ca 0.39 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 67.05 1bzz h THR 108 Cb 0.07 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1bzz h THR 108 CO -0.13 0.18 0.10 -0.07 0.37 0.00 0.00 175.52 175.97 1bzz h LEU 109 N 0.40 0.38 -0.66 2.58 4.07 -0.56 -2.69 115.31 118.83 1bzz h LEU 109 Ca 0.11 -0.18 0.11 0.00 0.08 0.00 0.00 57.88 58.00 1bzz h LEU 109 Cb 0.15 -0.10 -0.08 0.00 1.08 0.00 0.00 40.66 41.71 1bzz h LEU 109 CO -0.01 0.46 0.25 0.00 -1.08 0.00 0.00 178.44 178.06 1bzz h ALA 110 N 0.93 0.88 0.00 1.53 0.00 -0.59 0.30 119.26 122.31 1bzz h ALA 110 Ca 0.09 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1bzz h ALA 110 Cb 0.21 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1bzz h ALA 110 CO -0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 179.25 179.02 1bzz h ALA 111 N 1.46 1.01 0.00 0.00 0.00 -1.12 -3.30 119.26 117.32 1bzz h ALA 111 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1bzz h ALA 111 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1bzz h ALA 111 CO -0.34 0.03 -1.36 0.72 0.00 0.00 0.00 179.25 178.30 1bzz n HIS 112 N -3.14 0.00 -3.21 0.00 -0.00 -0.86 -4.80 115.22 103.21 1bzz n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 1bzz n HIS 112 Cb 0.31 -0.19 -0.06 0.00 -0.00 0.00 0.00 29.99 30.05 1bzz n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1bzz n LEU 113 N -1.78 3.62 0.00 2.41 4.77 0.04 -4.96 117.00 121.10 1bzz n LEU 113 Ca -0.01 -5.46 -0.12 0.00 -0.03 0.00 0.00 56.01 50.38 1bzz n LEU 113 Cb 0.22 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.77 1bzz n LEU 113 CO 0.18 2.18 0.51 1.55 -1.33 0.00 0.00 177.39 180.48 1bzz h PRO 114 N 3.66 -0.47 -0.71 3.23 0.13 -1.83 -0.70 132.00 135.30 1bzz h PRO 114 Ca 0.16 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.39 1bzz h PRO 114 Cb 0.63 0.11 -0.06 0.00 0.13 0.00 0.00 31.00 31.81 1bzz h PRO 114 CO 0.79 -0.31 0.39 0.00 -0.23 0.00 0.00 178.00 178.63 1bzz h ALA 115 N -0.55 0.97 0.00 -0.56 0.00 -1.94 -3.03 119.26 114.15 1bzz h ALA 115 Ca 0.02 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1bzz h ALA 115 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1bzz h ALA 115 CO -0.34 0.04 -0.56 0.93 0.00 0.00 0.00 179.25 179.32 1bzz h GLU 116 N 0.69 0.00 -2.97 0.00 4.39 -1.90 -3.39 114.58 111.40 1bzz h GLU 116 Ca 0.33 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.41 1bzz h GLU 116 Cb 0.26 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1bzz h GLU 116 CO -0.22 0.46 3.56 0.34 -1.16 0.00 0.00 179.01 181.99 1bzz n PHE 117 N -3.19 2.22 -1.57 4.33 7.35 -0.30 -4.76 117.46 121.54 1bzz n PHE 117 Ca 0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.47 1bzz n PHE 117 Cb 0.73 -2.40 0.10 0.00 0.35 0.00 0.00 39.48 38.27 1bzz n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bzz s THR 118 N 2.18 2.77 0.26 -2.13 -4.23 -1.26 -4.75 115.64 108.49 1bzz s THR 118 Ca 0.68 0.25 -0.02 0.00 -1.18 0.00 0.00 61.69 61.42 1bzz s THR 118 Cb 0.18 -3.01 0.26 0.00 1.34 0.00 0.00 72.50 71.27 1bzz s THR 118 CO -0.06 -0.33 1.85 -0.65 -0.54 0.00 0.00 174.62 174.90 1bzz h PRO 119 N -1.18 0.98 -0.69 3.99 0.11 -1.99 0.94 132.00 134.17 1bzz h PRO 119 Ca -0.48 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 1bzz h PRO 119 Cb 1.29 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1bzz h PRO 119 CO 0.60 0.65 0.12 0.00 -0.21 0.00 0.00 178.00 179.17 1bzz h ALA 120 N 1.48 0.92 -0.36 -0.75 0.00 -1.96 -1.33 119.26 117.25 1bzz h ALA 120 Ca 0.44 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1bzz h ALA 120 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1bzz h ALA 120 CO -0.22 0.67 -0.35 0.28 0.00 0.00 0.00 179.25 179.63 1bzz h VAL 121 N 1.06 1.28 -0.43 0.00 2.07 -1.75 -1.99 116.25 116.49 1bzz h VAL 121 Ca 0.21 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.23 1bzz h VAL 121 Cb 0.43 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1bzz h VAL 121 CO 0.01 0.50 0.24 -0.74 0.02 0.00 0.00 177.57 177.60 1bzz h HIS 122 N 0.66 0.45 -0.43 1.57 6.17 -0.66 -0.19 115.15 122.72 1bzz h HIS 122 Ca 0.06 0.02 -0.02 0.00 0.71 0.00 0.00 60.37 61.13 1bzz h HIS 122 Cb 0.94 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 30.71 1bzz h HIS 122 CO 0.07 0.25 0.19 0.00 0.71 0.00 0.00 177.93 179.15 1bzz h ALA 123 N 1.20 0.56 -0.77 5.26 0.00 -1.10 -1.41 119.26 123.01 1bzz h ALA 123 Ca 0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1bzz h ALA 123 Cb 0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1bzz h ALA 123 CO -0.09 0.14 0.43 0.77 0.00 0.00 0.00 179.25 180.50 1bzz h SER 124 N 0.56 0.95 -0.63 0.00 0.02 -0.83 -1.87 113.55 111.75 1bzz h SER 124 Ca 0.15 -0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.92 1bzz h SER 124 Cb 0.15 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.43 1bzz h SER 124 CO -0.02 0.77 0.08 -0.07 -1.14 0.00 0.00 176.83 176.45 1bzz h LEU 125 N 1.06 1.03 -0.33 5.07 3.38 -0.86 -0.57 115.31 124.09 1bzz h LEU 125 Ca 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1bzz h LEU 125 Cb 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1bzz h LEU 125 CO -0.04 1.04 0.12 -0.78 0.09 0.00 0.00 178.44 178.87 1bzz h ASP 126 N 1.00 0.47 -0.56 -0.43 3.58 -1.01 0.89 116.42 120.36 1bzz h ASP 126 Ca 0.19 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1bzz h ASP 126 Cb 0.47 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 1bzz h ASP 126 CO 0.02 0.52 0.29 0.11 -2.88 0.00 0.00 179.24 177.31 1bzz h LYS 127 N 0.39 0.78 0.08 0.28 1.57 -1.09 -1.25 116.57 117.33 1bzz h LYS 127 Ca 0.11 -0.10 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1bzz h LYS 127 Cb 0.21 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1bzz h LYS 127 CO -0.01 0.61 -0.04 0.35 -0.57 0.00 0.00 179.45 179.80 1bzz h PHE 128 N 0.75 -0.10 -0.69 -1.35 3.57 -0.70 -1.42 116.94 116.99 1bzz h PHE 128 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.70 1bzz h PHE 128 Cb 0.07 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 1bzz h PHE 128 CO -0.01 -0.02 0.45 -0.07 -2.23 0.00 0.00 178.31 176.43 1bzz h LEU 129 N -0.16 0.81 -1.21 0.59 3.38 -0.73 0.11 115.31 118.10 1bzz h LEU 129 Ca -0.01 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1bzz h LEU 129 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1bzz h LEU 129 CO 0.02 0.59 0.02 0.00 0.09 0.00 0.00 178.44 179.16 1bzz h ALA 130 N 1.55 1.35 -0.32 1.53 0.00 -0.96 -0.08 119.26 122.33 1bzz h ALA 130 Ca 0.25 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1bzz h ALA 130 Cb -0.09 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1bzz h ALA 130 CO -0.05 0.45 -0.35 0.77 0.00 0.00 0.00 179.25 180.07 1bzz h SER 131 N 0.54 0.87 -0.29 0.00 0.02 -0.11 -0.86 113.55 113.72 1bzz h SER 131 Ca 0.12 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1bzz h SER 131 Cb 0.32 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1bzz h SER 131 CO 0.01 1.17 0.18 0.58 -1.14 0.00 0.00 176.83 177.63 1bzz h VAL 132 N 0.59 1.09 -0.75 2.27 2.07 -0.78 -1.76 116.25 118.98 1bzz h VAL 132 Ca 0.05 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1bzz h VAL 132 Cb 0.94 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1bzz h VAL 132 CO 0.09 0.09 0.47 0.28 0.02 0.00 0.00 177.57 178.51 1bzz h SER 133 N 0.38 0.77 -0.40 0.57 0.02 -0.88 0.81 113.55 114.82 1bzz h SER 133 Ca 0.10 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1bzz h SER 133 Cb -0.02 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1bzz h SER 133 CO -0.02 0.53 0.26 0.74 -1.14 0.00 0.00 176.83 177.20 1bzz h THR 134 N 0.91 1.09 -0.12 -2.27 2.02 -0.97 -1.77 112.91 111.80 1bzz h THR 134 Ca 0.30 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.30 1bzz h THR 134 Cb 0.03 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1bzz h THR 134 CO -0.12 0.10 0.08 0.58 0.37 0.00 0.00 175.52 176.53 1bzz h VAL 135 N 0.53 1.05 -0.02 3.16 2.07 -0.79 -1.05 116.25 121.20 1bzz h VAL 135 Ca 0.15 -0.11 0.01 0.00 0.82 0.00 0.00 66.70 67.57 1bzz h VAL 135 Cb -0.05 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1bzz h VAL 135 CO -0.04 0.04 0.03 -0.07 0.02 0.00 0.00 177.57 177.55 1bzz h LEU 136 N 0.15 0.00 -1.61 2.57 3.38 -0.55 -2.33 115.31 116.91 1bzz h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1bzz h LEU 136 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1bzz h LEU 136 CO -0.01 0.00 -0.00 0.35 0.09 0.00 0.00 178.44 178.87 1bzz n THR 137 N -3.92 0.00 0.27 0.22 -2.24 -0.69 -4.52 114.28 103.40 1bzz n THR 137 Ca -0.02 -0.50 0.16 0.00 -2.27 0.00 0.00 64.05 61.42 1bzz n THR 137 Cb 0.11 1.33 0.91 0.00 -2.10 0.00 0.00 70.33 70.58 1bzz n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bzz h SER 138 N 3.12 0.00 -0.40 3.42 4.64 -0.61 -2.75 113.55 120.96 1bzz h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bzz h SER 138 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 1bzz h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1bzz n LYS 139 N -3.77 3.44 -0.20 4.77 5.02 -1.26 -4.61 118.16 121.54 1bzz n LYS 139 Ca -0.02 -2.78 -0.02 0.00 -2.02 0.00 0.00 58.31 53.47 1bzz n LYS 139 Cb 0.16 -1.84 0.19 0.00 -0.02 0.00 0.00 35.03 33.52 1bzz n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1bzz h TYR 140 N 2.67 0.97 0.00 2.13 -1.99 -1.80 -3.46 116.97 115.48 1bzz h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1bzz h TYR 140 Cb 1.43 -0.31 0.00 0.00 2.00 0.00 0.00 36.73 39.85 1bzz h TYR 140 CO 0.61 0.69 0.00 2.89 -0.00 0.00 0.00 178.16 182.36