#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 4.12 1.02 4.03 1.43 -1.26 -5.04 118.68 122.98 1bzz s LEU 2 Ca 0.00 1.42 -0.16 0.00 -1.03 0.00 0.00 54.13 54.36 1bzz s LEU 2 Cb 0.00 -3.54 0.21 0.00 0.03 0.00 0.00 46.19 42.89 1bzz s LEU 2 CO 0.00 -0.67 1.21 -0.94 0.23 0.00 0.00 176.35 176.18 1bzz s SER 3 N 1.27 2.52 0.27 2.29 1.04 -1.26 -4.83 113.70 115.01 1bzz s SER 3 Ca 0.45 0.56 0.03 0.00 0.48 0.00 0.00 55.95 57.48 1bzz s SER 3 Cb -0.16 -0.81 0.38 0.00 0.10 0.00 0.00 66.02 65.53 1bzz s SER 3 CO 0.08 -3.12 1.68 -0.65 0.98 0.00 0.00 173.24 172.20 1bzz h PRO 4 N -1.90 0.41 -0.39 4.02 0.11 -1.99 -0.39 132.00 131.86 1bzz h PRO 4 Ca -0.46 -0.18 -0.13 0.00 0.11 0.00 0.00 66.00 65.34 1bzz h PRO 4 Cb 1.28 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1bzz h PRO 4 CO 0.43 0.71 -0.27 0.00 -0.21 0.00 0.00 178.00 178.66 1bzz h ALA 5 N 1.28 0.78 -0.27 -0.75 0.00 -1.99 -0.73 119.26 117.58 1bzz h ALA 5 Ca 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1bzz h ALA 5 Cb 0.79 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1bzz h ALA 5 CO 0.06 0.65 0.07 -0.44 0.00 0.00 0.00 179.25 179.60 1bzz h ASP 6 N 0.71 0.06 -0.77 0.00 3.32 -1.73 -0.61 116.42 117.40 1bzz h ASP 6 Ca 0.09 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.20 1bzz h ASP 6 Cb 0.81 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.35 1bzz h ASP 6 CO 0.07 0.07 0.51 0.11 -1.72 0.00 0.00 179.24 178.28 1bzz h LYS 7 N 0.19 0.95 -0.69 3.56 1.57 -0.60 -1.38 116.57 120.18 1bzz h LYS 7 Ca 0.12 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1bzz h LYS 7 Cb 0.10 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 1bzz h LYS 7 CO -0.14 0.63 0.13 1.15 -0.57 0.00 0.00 179.45 180.65 1bzz h THR 8 N 0.98 1.26 -0.43 -0.16 2.02 -0.66 -1.51 112.91 114.42 1bzz h THR 8 Ca 0.30 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.42 1bzz h THR 8 Cb -0.01 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1bzz h THR 8 CO -0.08 0.39 0.15 0.78 0.37 0.00 0.00 175.52 177.13 1bzz h ASN 9 N 1.05 0.62 -0.16 4.18 2.35 -0.39 -1.67 115.58 121.56 1bzz h ASN 9 Ca 0.21 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 1bzz h ASN 9 Cb 0.42 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1bzz h ASN 9 CO 0.01 0.65 0.06 0.58 -1.65 0.00 0.00 177.43 177.08 1bzz h VAL 10 N 0.56 1.16 -0.81 2.81 2.07 -1.18 -0.06 116.25 120.80 1bzz h VAL 10 Ca 0.14 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.18 1bzz h VAL 10 Cb 0.24 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1bzz h VAL 10 CO -0.01 0.15 0.53 0.11 0.02 0.00 0.00 177.57 178.38 1bzz h LYS 11 N 0.10 1.05 -0.06 1.57 1.57 -1.22 0.34 116.57 119.91 1bzz h LYS 11 Ca 0.05 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1bzz h LYS 11 Cb 0.18 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 1bzz h LYS 11 CO -0.00 0.69 -0.09 0.00 -0.57 0.00 0.00 179.45 179.48 1bzz h ALA 12 N 1.50 0.09 -0.37 3.86 0.00 -1.13 -1.72 119.26 121.49 1bzz h ALA 12 Ca 0.30 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1bzz h ALA 12 Cb -0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1bzz h ALA 12 CO -0.07 -0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.17 1bzz h ALA 13 N 0.51 0.49 -0.63 0.00 0.00 -0.59 -2.77 119.26 116.26 1bzz h ALA 13 Ca 0.01 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1bzz h ALA 13 Cb 0.63 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1bzz h ALA 13 CO 0.02 0.20 0.26 2.35 0.00 0.00 0.00 179.25 182.07 1bzz h TRP 14 N 0.45 0.91 -0.26 0.00 2.91 -0.38 -2.50 115.95 117.08 1bzz h TRP 14 Ca 0.11 -0.05 0.04 0.00 1.13 0.00 0.00 58.89 60.12 1bzz h TRP 14 Cb 0.36 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 28.69 1bzz h TRP 14 CO 0.02 0.70 0.01 0.78 -1.03 0.00 0.00 178.44 178.92 1bzz h GLY 15 N 1.00 0.26 1.38 2.65 0.00 -1.20 -1.73 103.07 105.42 1bzz h GLY 15 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 1bzz h GLY 15 CO -0.02 -0.05 0.34 1.70 0.00 0.00 0.00 176.54 178.51 1bzz h LYS 16 N 0.09 0.82 0.11 4.80 3.11 -1.18 -2.15 116.57 122.17 1bzz h LYS 16 Ca 0.12 -0.08 0.02 0.00 -2.81 0.00 0.00 60.65 57.90 1bzz h LYS 16 Cb 0.16 -0.17 -0.04 0.00 -1.00 0.00 0.00 32.23 31.18 1bzz h LYS 16 CO -0.20 0.60 -0.29 0.28 -2.81 0.00 0.00 179.45 177.03 1bzz h VAL 17 N 0.84 0.38 0.00 2.00 2.07 -0.94 -3.44 116.25 117.15 1bzz h VAL 17 Ca 0.22 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.74 1bzz h VAL 17 Cb 0.01 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1bzz h VAL 17 CO -0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.16 1bzz n GLY 18 N -1.40 3.84 0.21 2.17 0.00 -0.73 -1.97 105.19 107.32 1bzz n GLY 18 Ca -0.06 0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.93 1.00 -0.21 4.61 0.00 -1.86 -2.97 119.26 118.90 1bzz h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1bzz n HIS 20 N -2.74 0.28 -0.13 0.00 -0.00 -0.83 -4.38 115.22 107.43 1bzz n HIS 20 Ca 0.02 -0.14 -0.05 0.00 -0.00 0.00 0.00 57.72 57.55 1bzz n HIS 20 Cb 0.32 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.32 1bzz n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bzz h ALA 21 N 3.81 0.12 -0.63 -1.41 0.00 -1.70 0.93 119.26 120.38 1bzz h ALA 21 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1bzz h ALA 21 Cb 0.42 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 1bzz h ALA 21 CO 0.00 -0.55 0.28 0.78 0.00 0.00 0.00 179.25 179.76 1bzz h GLY 22 N -0.11 0.97 1.14 0.00 0.00 -1.84 0.29 103.07 103.52 1bzz h GLY 22 Ca 0.20 -0.47 -0.16 0.00 0.00 0.00 0.00 47.33 46.90 1bzz h GLY 22 CO -0.49 0.45 -0.38 -2.09 0.00 0.00 0.00 176.54 174.03 1bzz h GLU 23 N 0.89 0.94 -0.56 4.80 4.81 -1.67 -2.15 114.58 121.65 1bzz h GLU 23 Ca 0.22 -0.49 -0.10 0.00 -0.13 0.00 0.00 59.36 58.85 1bzz h GLU 23 Cb 0.13 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 1bzz h GLU 23 CO -0.02 1.15 -0.06 1.88 -0.73 0.00 0.00 179.01 181.23 1bzz h TYR 24 N 0.77 1.11 -0.47 0.92 0.05 -0.55 -1.69 116.97 117.10 1bzz h TYR 24 Ca 0.06 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.66 1bzz h TYR 24 Cb 0.98 -0.28 -0.03 0.00 1.01 0.00 0.00 36.73 38.40 1bzz h TYR 24 CO 0.06 1.01 0.27 0.78 -1.05 0.00 0.00 178.16 179.23 1bzz h GLY 25 N 0.97 0.66 1.00 3.88 0.00 -0.79 -0.64 103.07 108.15 1bzz h GLY 25 Ca 0.15 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1bzz h GLY 25 CO 0.04 0.16 0.13 0.00 0.00 0.00 0.00 176.54 176.87 1bzz h ALA 26 N 1.22 0.73 -0.48 3.60 0.00 -1.18 -2.42 119.26 120.73 1bzz h ALA 26 Ca 0.19 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1bzz h ALA 26 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bzz h ALA 26 CO -0.10 0.44 -0.07 1.49 0.00 0.00 0.00 179.25 181.01 1bzz h GLU 27 N 0.79 0.85 -0.63 0.00 4.81 -1.07 -1.63 114.58 117.71 1bzz h GLU 27 Ca 0.17 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1bzz h GLU 27 Cb 0.35 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1bzz h GLU 27 CO 0.00 0.90 0.32 0.00 -0.73 0.00 0.00 179.01 179.51 1bzz h ALA 28 N 1.14 0.81 -0.44 2.92 0.00 -0.96 0.14 119.26 122.87 1bzz h ALA 28 Ca 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1bzz h ALA 28 Cb 0.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bzz h ALA 28 CO 0.03 0.35 0.24 -0.07 0.00 0.00 0.00 179.25 179.81 1bzz h LEU 29 N 0.86 0.54 -0.97 0.00 3.38 -1.22 -1.40 115.31 116.51 1bzz h LEU 29 Ca 0.22 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1bzz h LEU 29 Cb 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1bzz h LEU 29 CO -0.03 0.47 0.57 -0.08 0.09 0.00 0.00 178.44 179.46 1bzz h GLU 30 N 0.57 1.28 -0.77 1.13 4.81 -0.91 -0.66 114.58 120.02 1bzz h GLU 30 Ca 0.15 -0.11 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1bzz h GLU 30 Cb 0.05 -0.27 -0.04 0.00 0.63 0.00 0.00 28.75 29.13 1bzz h GLU 30 CO -0.03 0.89 0.37 0.00 -0.73 0.00 0.00 179.01 179.52 1bzz h ARG 31 N 1.30 1.10 -0.31 1.92 3.08 -0.48 -2.33 114.38 118.66 1bzz h ARG 31 Ca 0.34 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1bzz h ARG 31 Cb -0.06 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.78 1bzz h ARG 31 CO -0.06 0.86 0.10 1.98 -1.07 0.00 0.00 179.97 181.77 1bzz h MET 32 N 1.08 0.48 -0.42 0.04 4.05 -0.68 0.24 114.93 119.72 1bzz h MET 32 Ca 0.26 -0.10 -0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1bzz h MET 32 Cb 0.11 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1bzz h MET 32 CO -0.03 0.52 0.13 0.74 0.23 0.00 0.00 176.91 178.50 1bzz h PHE 33 N 0.35 0.61 0.07 1.39 0.04 -1.02 -0.08 116.94 118.29 1bzz h PHE 33 Ca 0.10 -0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.68 1bzz h PHE 33 Cb 0.24 -0.19 0.02 0.00 2.20 0.00 0.00 35.95 38.22 1bzz h PHE 33 CO 0.01 0.50 -0.67 -0.07 -0.60 0.00 0.00 178.31 177.48 1bzz h LEU 34 N 0.60 0.46 -0.08 1.54 3.38 -1.34 -3.27 115.31 116.60 1bzz h LEU 34 Ca 0.14 -0.87 -0.24 0.00 0.09 0.00 0.00 57.88 57.00 1bzz h LEU 34 Cb 0.18 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bzz h LEU 34 CO -0.01 1.29 -1.05 0.28 0.09 0.00 0.00 178.44 179.04 1bzz h SER 35 N -0.31 0.49 -2.47 -0.43 0.02 -0.79 -3.39 113.55 106.67 1bzz h SER 35 Ca -0.10 -0.43 -0.60 0.00 -0.84 0.00 0.00 61.79 59.82 1bzz h SER 35 Cb 1.45 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 63.43 1bzz h SER 35 CO 0.13 1.26 -0.76 0.49 -1.14 0.00 0.00 176.83 176.81 1bzz n PHE 36 N -3.67 1.89 0.18 3.45 3.72 -0.06 -4.99 117.46 117.99 1bzz n PHE 36 Ca -0.07 -3.93 0.18 0.00 -0.05 0.00 0.00 57.45 53.57 1bzz n PHE 36 Cb 0.90 -0.38 0.81 0.00 -0.94 0.00 0.00 39.48 39.87 1bzz n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1bzz h PRO 37 N 4.81 0.00 0.00 -1.08 0.11 -1.72 -1.08 132.00 133.04 1bzz h PRO 37 Ca 0.17 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1bzz h PRO 37 Cb 0.78 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 1bzz h PRO 37 CO 0.64 0.00 -0.01 1.79 -0.21 0.00 0.00 178.00 180.21 1bzz h THR 38 N 0.00 0.11 0.00 -1.15 1.35 -1.91 -1.10 112.91 110.21 1bzz h THR 38 Ca 0.11 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1bzz h THR 38 Cb 0.63 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1bzz h THR 38 CO -0.00 0.01 0.00 0.71 -0.25 0.00 0.00 175.52 175.99 1bzz h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.51 -2.47 112.91 117.10 1bzz h THR 39 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1bzz h THR 39 Cb 0.09 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.91 1bzz h THR 39 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1bzz h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.38 -2.72 116.57 118.75 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 0.49 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.80 1bzz h LYS 40 CO 0.00 0.00 -0.01 1.79 -0.57 0.00 0.00 179.45 180.66 1bzz h THR 41 N 0.00 0.27 -0.01 -0.16 1.35 -1.61 -0.47 112.91 112.28 1bzz h THR 41 Ca 0.00 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1bzz h THR 41 Cb 0.30 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 1bzz h THR 41 CO 0.00 0.01 -0.17 -1.22 -0.25 0.00 0.00 175.52 173.88 1bzz n TYR 42 N -3.45 0.00 -2.36 4.73 4.01 -1.03 -4.37 117.16 114.69 1bzz n TYR 42 Ca -0.03 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.53 1bzz n TYR 42 Cb 0.09 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.07 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 -0.29 2.43 0.33 -0.72 3.01 -0.18 -4.85 117.46 117.19 1bzz n PHE 43 Ca 0.14 -2.47 0.15 0.00 1.01 0.00 0.00 57.45 56.28 1bzz n PHE 43 Cb 0.36 -0.26 0.62 0.00 -0.01 0.00 0.00 39.48 40.19 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 2.45 0.00 -0.03 -1.08 0.13 -1.76 -2.60 132.00 129.11 1bzz h PRO 44 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1bzz h PRO 44 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1bzz h PRO 44 CO 0.64 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.02 1bzz n HIS 45 N -2.70 0.01 -4.08 1.56 1.44 -1.26 -4.92 115.22 105.28 1bzz n HIS 45 Ca 0.01 -0.01 -0.29 0.00 -2.01 0.00 0.00 57.72 55.42 1bzz n HIS 45 Cb 0.26 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.30 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 -1.99 3.12 -0.41 -1.40 0.40 -0.98 -5.06 117.98 111.66 1bzz s PHE 46 Ca 0.38 0.02 -0.24 0.00 -0.60 0.00 0.00 56.93 56.48 1bzz s PHE 46 Cb 0.21 -1.56 0.02 0.00 0.51 0.00 0.00 43.02 42.20 1bzz s PHE 46 CO 0.33 0.51 0.86 0.34 0.70 0.00 0.00 175.22 177.96 1bzz s ASP 47 N -2.60 6.53 -0.10 1.36 2.15 -1.26 -4.89 116.67 117.86 1bzz s ASP 47 Ca 0.29 0.24 0.15 0.00 0.43 0.00 0.00 52.55 53.65 1bzz s ASP 47 Cb -0.11 -2.43 0.60 0.00 -0.30 0.00 0.00 42.92 40.68 1bzz s ASP 47 CO 0.21 -0.89 1.48 0.18 -0.17 0.00 0.00 175.17 175.98 1bzz n LEU 48 N 6.79 4.04 -4.76 -1.34 4.77 -1.26 -4.48 117.00 120.76 1bzz n LEU 48 Ca 0.05 -2.04 -0.34 0.00 -0.03 0.00 0.00 56.01 53.64 1bzz n LEU 48 Cb 0.48 -0.53 0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1bzz n LEU 48 CO 0.59 0.68 0.78 -0.94 -1.33 0.00 0.00 177.39 177.16 1bzz s SER 49 N -0.81 5.18 0.11 -1.43 1.04 -1.26 -4.90 113.70 111.63 1bzz s SER 49 Ca 0.42 2.16 -0.34 0.00 0.48 0.00 0.00 55.95 58.67 1bzz s SER 49 Cb 0.27 -2.57 -0.13 0.00 0.10 0.00 0.00 66.02 63.69 1bzz s SER 49 CO 0.20 -1.59 1.65 1.57 0.98 0.00 0.00 173.24 176.05 1bzz n HIS 50 N -2.00 2.30 -1.05 5.02 -0.00 -1.26 -1.68 115.22 116.54 1bzz n HIS 50 Ca 0.12 0.20 -0.02 0.00 0.46 0.00 0.00 57.72 58.48 1bzz n HIS 50 Cb 0.51 -2.57 -0.01 0.00 -0.12 0.00 0.00 29.99 27.80 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 3.63 0.53 3.71 1.57 0.00 -1.26 -5.02 105.19 108.36 1bzz n GLY 51 Ca 0.18 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.39 1bzz n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bzz n SER 52 N 0.55 2.46 0.22 1.61 3.41 -0.68 -4.83 113.62 116.35 1bzz n SER 52 Ca -0.02 1.01 0.07 0.00 -0.26 0.00 0.00 58.87 59.68 1bzz n SER 52 Cb 0.11 -1.53 0.50 0.00 -0.26 0.00 0.00 64.21 63.03 1bzz n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bzz h ALA 53 N 1.62 1.30 -0.46 7.33 0.00 -1.91 -0.99 119.26 126.15 1bzz h ALA 53 Ca -0.49 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.14 1bzz h ALA 53 Cb 1.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1bzz h ALA 53 CO 0.58 0.32 0.11 1.96 0.00 0.00 0.00 179.25 182.22 1bzz h GLN 54 N 0.00 0.73 -0.25 0.00 4.20 -1.90 0.24 115.11 118.13 1bzz h GLN 54 Ca -0.00 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.43 1bzz h GLN 54 Cb 0.55 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1bzz h GLN 54 CO 0.03 0.72 -0.25 0.28 -0.67 0.00 0.00 178.83 178.94 1bzz h VAL 55 N 0.61 1.31 -0.26 -0.54 2.07 -1.72 -0.91 116.25 116.82 1bzz h VAL 55 Ca 0.14 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.26 1bzz h VAL 55 Cb 0.32 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1bzz h VAL 55 CO 0.00 0.45 0.13 0.11 0.02 0.00 0.00 177.57 178.28 1bzz h LYS 56 N 0.33 0.26 -0.57 1.57 1.57 -1.12 0.45 116.57 119.06 1bzz h LYS 56 Ca 0.04 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.75 1bzz h LYS 56 Cb 0.82 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 1bzz h LYS 56 CO 0.06 0.17 0.14 0.78 -0.57 0.00 0.00 179.45 180.03 1bzz h GLY 57 N 0.27 0.99 0.96 3.86 0.00 -0.49 -1.99 103.07 106.68 1bzz h GLY 57 Ca 0.10 -0.63 -0.02 0.00 0.00 0.00 0.00 47.33 46.79 1bzz h GLY 57 CO -0.07 0.58 0.20 0.84 0.00 0.00 0.00 176.54 178.09 1bzz h HIS 58 N 0.83 0.68 -0.81 5.60 -0.00 -0.88 -1.95 115.15 118.62 1bzz h HIS 58 Ca 0.18 -0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.65 1bzz h HIS 58 Cb 0.35 -0.21 -0.09 0.00 -0.00 0.00 0.00 27.41 27.46 1bzz h HIS 58 CO 0.02 0.57 0.39 0.78 -0.00 0.00 0.00 177.93 179.69 1bzz h GLY 59 N 0.60 1.28 0.97 5.26 0.00 0.08 0.83 103.07 112.10 1bzz h GLY 59 Ca 0.16 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.25 1bzz h GLY 59 CO -0.02 -0.05 0.22 1.70 0.00 0.00 0.00 176.54 178.39 1bzz h LYS 60 N 0.56 0.73 -0.66 4.80 1.63 -0.99 -0.86 116.57 121.78 1bzz h LYS 60 Ca 0.44 -0.12 -0.08 0.00 -0.85 0.00 0.00 60.65 60.04 1bzz h LYS 60 Cb 0.63 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1bzz h LYS 60 CO -0.37 0.63 0.10 0.87 -3.45 0.00 0.00 179.45 177.23 1bzz h LYS 61 N 0.66 1.09 -0.17 1.90 1.57 -0.56 -0.05 116.57 121.01 1bzz h LYS 61 Ca 0.17 -0.29 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1bzz h LYS 61 Cb 0.16 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 1bzz h LYS 61 CO -0.02 1.00 0.04 0.28 -0.57 0.00 0.00 179.45 180.19 1bzz h VAL 62 N 1.02 1.20 -0.71 0.50 2.07 -0.65 -2.33 116.25 117.35 1bzz h VAL 62 Ca 0.20 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1bzz h VAL 62 Cb 0.44 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1bzz h VAL 62 CO 0.01 0.19 0.45 0.00 0.02 0.00 0.00 177.57 178.25 1bzz h ALA 63 N 0.85 0.90 -0.52 1.67 0.00 -0.83 -1.97 119.26 119.35 1bzz h ALA 63 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1bzz h ALA 63 Cb 0.26 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1bzz h ALA 63 CO 0.00 0.34 0.31 -0.44 0.00 0.00 0.00 179.25 179.46 1bzz h ASP 64 N 0.96 0.51 -0.54 0.00 5.19 -0.92 0.13 116.42 121.75 1bzz h ASP 64 Ca 0.26 0.00 0.06 0.00 -0.62 0.00 0.00 57.03 56.73 1bzz h ASP 64 Cb -0.08 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 39.27 1bzz h ASP 64 CO -0.05 0.36 0.25 0.00 -3.12 0.00 0.00 179.24 176.68 1bzz h ALA 65 N 1.23 0.69 -0.68 3.45 0.00 -1.06 -0.51 119.26 122.37 1bzz h ALA 65 Ca 0.21 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1bzz h ALA 65 Cb 0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1bzz h ALA 65 CO -0.09 -0.11 0.15 -0.07 0.00 0.00 0.00 179.25 179.12 1bzz h LEU 66 N 0.49 1.06 -0.59 0.00 4.07 -0.90 -0.59 115.31 118.84 1bzz h LEU 66 Ca 0.25 -0.24 0.02 0.00 0.08 0.00 0.00 57.88 57.98 1bzz h LEU 66 Cb 0.19 -0.28 -0.04 0.00 1.08 0.00 0.00 40.66 41.62 1bzz h LEU 66 CO -0.19 1.03 0.37 0.74 -1.08 0.00 0.00 178.44 179.30 1bzz h THR 67 N 1.04 1.09 -0.49 0.22 2.02 -0.25 -0.21 112.91 116.33 1bzz h THR 67 Ca 0.21 -0.25 0.05 0.00 0.77 0.00 0.00 66.41 67.19 1bzz h THR 67 Cb 0.40 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 67.06 1bzz h THR 67 CO 0.01 0.13 0.23 -1.13 0.37 0.00 0.00 175.52 175.14 1bzz h ASN 68 N 0.74 0.32 -0.33 4.18 -1.24 -0.71 -1.09 115.58 117.46 1bzz h ASN 68 Ca 0.23 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.19 1bzz h ASN 68 Cb -0.01 -0.02 -0.02 0.00 0.73 0.00 0.00 38.32 38.99 1bzz h ASN 68 CO -0.08 0.22 -0.09 0.00 -1.29 0.00 0.00 177.43 176.19 1bzz h ALA 69 N 1.28 1.04 -0.54 1.57 0.00 -0.69 -1.48 119.26 120.44 1bzz h ALA 69 Ca 0.22 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1bzz h ALA 69 Cb 0.15 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1bzz h ALA 69 CO -0.17 0.58 -0.12 0.28 0.00 0.00 0.00 179.25 179.83 1bzz h VAL 70 N 0.68 1.27 -0.78 0.00 2.07 -0.71 -0.74 116.25 118.04 1bzz h VAL 70 Ca 0.12 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.40 1bzz h VAL 70 Cb 0.55 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 31.26 1bzz h VAL 70 CO 0.03 0.45 0.51 0.00 0.02 0.00 0.00 177.57 178.59 1bzz h ALA 71 N 0.92 1.56 -0.83 1.67 0.00 -0.95 -2.94 119.26 118.69 1bzz h ALA 71 Ca 0.14 -0.03 -0.55 0.00 0.00 0.00 0.00 54.91 54.47 1bzz h ALA 71 Cb 0.69 -0.26 -0.43 0.00 0.00 0.00 0.00 17.79 17.80 1bzz h ALA 71 CO 0.05 0.35 -0.82 0.72 0.00 0.00 0.00 179.25 179.55 1bzz n HIS 72 N -4.46 2.78 0.31 0.00 -0.00 -0.58 -4.83 115.22 108.44 1bzz n HIS 72 Ca 0.10 -2.32 0.19 0.00 -0.00 0.00 0.00 57.72 55.69 1bzz n HIS 72 Cb 0.14 -0.31 1.05 0.00 -0.00 0.00 0.00 29.99 30.88 1bzz n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1bzz h VAL 73 N 2.32 0.20 0.00 1.59 3.04 -0.95 -1.21 116.25 121.23 1bzz h VAL 73 Ca 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 1bzz h VAL 73 Cb 1.46 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1bzz h VAL 73 CO 0.75 0.00 -0.34 0.44 -1.01 0.00 0.00 177.57 177.41 1bzz h ASP 74 N 0.00 0.00 -1.77 3.17 3.32 -1.88 -3.38 116.42 115.88 1bzz h ASP 74 Ca 0.01 -0.11 -0.47 0.00 0.02 0.00 0.00 57.03 56.49 1bzz h ASP 74 Cb 0.14 0.00 -0.37 0.00 0.22 0.00 0.00 39.33 39.32 1bzz h ASP 74 CO -0.00 0.05 -1.10 -0.67 -1.72 0.00 0.00 179.24 175.81 1bzz n ASP 75 N -2.23 0.33 -0.20 6.45 2.03 -0.48 -4.98 116.55 117.48 1bzz n ASP 75 Ca 0.04 -3.02 -0.08 0.00 0.52 0.00 0.00 54.79 52.25 1bzz n ASP 75 Cb 0.44 -0.33 0.02 0.00 -0.72 0.00 0.00 41.12 40.53 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 3.20 0.87 -0.57 -0.67 2.86 -1.69 -2.09 114.93 116.84 1bzz h MET 76 Ca 0.07 -0.19 0.12 0.00 -2.06 0.00 0.00 59.70 57.64 1bzz h MET 76 Cb 0.97 -0.13 -0.10 0.00 0.06 0.00 0.00 31.60 32.40 1bzz h MET 76 CO 0.45 0.79 -0.07 -1.35 1.06 0.00 0.00 176.91 177.79 1bzz h PRO 77 N 0.78 0.05 -0.24 -0.22 0.11 -1.93 0.25 132.00 130.80 1bzz h PRO 77 Ca 0.18 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.15 1bzz h PRO 77 Cb 0.28 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.38 1bzz h PRO 77 CO -0.01 0.04 -0.39 -0.91 -0.21 0.00 0.00 178.00 176.52 1bzz h ASN 78 N 0.06 0.76 -1.01 -2.05 4.21 -1.91 -2.83 115.58 112.81 1bzz h ASN 78 Ca 0.28 -0.52 0.02 0.00 1.21 0.00 0.00 56.30 57.29 1bzz h ASN 78 Cb 0.44 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.37 1bzz h ASN 78 CO -0.53 1.14 0.66 0.00 -1.29 0.00 0.00 177.43 177.41 1bzz h ALA 79 N 0.65 1.29 -0.52 -0.83 0.00 -0.66 -2.84 119.26 116.35 1bzz h ALA 79 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bzz h ALA 79 Cb 0.98 -0.40 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1bzz h ALA 79 CO 0.09 0.64 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1bzz n LEU 80 N -4.40 5.14 -0.14 0.00 4.77 0.80 -4.69 117.00 118.49 1bzz n LEU 80 Ca 0.12 -2.85 -0.05 0.00 -0.03 0.00 0.00 56.01 53.21 1bzz n LEU 80 Cb 0.03 -0.63 0.02 0.00 -2.33 0.00 0.00 43.42 40.51 1bzz n LEU 80 CO 0.36 0.67 0.71 -1.28 -1.33 0.00 0.00 177.39 176.53 1bzz h SER 81 N 3.52 -0.70 -0.66 -1.43 0.87 -1.24 0.11 113.55 114.03 1bzz h SER 81 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 1bzz h SER 81 Cb 1.76 0.39 -0.03 0.00 -0.44 0.00 0.00 62.40 64.07 1bzz h SER 81 CO 0.38 -0.23 0.42 0.00 -0.53 0.00 0.00 176.83 176.87 1bzz h ALA 82 N 1.20 0.83 -0.35 6.23 0.00 -1.84 -1.58 119.26 123.75 1bzz h ALA 82 Ca 0.21 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 1bzz h ALA 82 Cb 0.44 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1bzz h ALA 82 CO -0.52 0.28 -0.25 1.25 0.00 0.00 0.00 179.25 180.01 1bzz h LEU 83 N 0.89 0.71 -0.94 0.00 5.85 -1.69 -1.82 115.31 118.30 1bzz h LEU 83 Ca 0.24 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1bzz h LEU 83 Cb -0.08 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.72 1bzz h LEU 83 CO -0.05 0.93 0.43 -1.28 -0.34 0.00 0.00 178.44 178.13 1bzz h SER 84 N 0.60 1.07 -0.20 1.25 0.87 -0.40 -1.44 113.55 115.30 1bzz h SER 84 Ca 0.08 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.42 1bzz h SER 84 Cb 0.74 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1bzz h SER 84 CO 0.06 0.88 -0.32 0.44 -0.53 0.00 0.00 176.83 177.35 1bzz h ASP 85 N 1.18 0.63 -0.82 6.23 3.32 -1.00 -2.03 116.42 123.93 1bzz h ASP 85 Ca 0.29 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.80 1bzz h ASP 85 Cb 0.07 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 1bzz h ASP 85 CO -0.04 1.03 0.47 0.25 -1.72 0.00 0.00 179.24 179.23 1bzz h LEU 86 N 0.25 1.01 -0.07 1.55 5.85 -1.13 0.16 115.31 122.93 1bzz h LEU 86 Ca 0.02 -0.09 -0.25 0.00 0.84 0.00 0.00 57.88 58.40 1bzz h LEU 86 Cb 0.90 -0.26 0.02 0.00 0.37 0.00 0.00 40.66 41.69 1bzz h LEU 86 CO 0.07 0.80 -0.98 0.45 -0.34 0.00 0.00 178.44 178.44 1bzz h HIS 87 N 1.13 0.95 -0.24 1.25 3.86 -1.28 0.47 115.15 121.29 1bzz h HIS 87 Ca 0.29 -0.50 -0.06 0.00 -1.16 0.00 0.00 60.37 58.94 1bzz h HIS 87 Cb 0.00 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.35 1bzz h HIS 87 CO 0.00 1.33 -0.07 0.00 0.86 0.00 0.00 177.93 180.06 1bzz h ALA 88 N 0.51 0.34 0.00 2.45 0.00 -1.19 0.21 119.26 121.57 1bzz h ALA 88 Ca -0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1bzz h ALA 88 Cb 1.62 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1bzz h ALA 88 CO 0.19 0.15 -2.00 0.72 0.00 0.00 0.00 179.25 178.30 1bzz n HIS 89 N -4.55 0.00 0.01 0.00 8.25 0.55 -4.53 115.22 114.95 1bzz n HIS 89 Ca -0.04 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.40 1bzz n HIS 89 Cb 0.30 -0.52 -0.01 0.00 1.12 0.00 0.00 29.99 30.89 1bzz n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1bzz n LYS 90 N -2.28 0.11 -0.05 -0.41 4.76 -0.60 -4.84 118.16 114.86 1bzz n LYS 90 Ca -0.06 0.04 -0.11 0.00 -2.87 0.00 0.00 58.31 55.31 1bzz n LYS 90 Cb 0.60 -0.59 -0.05 0.00 -1.84 0.00 0.00 35.03 33.15 1bzz n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bzz h LEU 91 N -0.21 0.25 -1.67 -0.35 3.38 -1.07 -3.48 115.31 112.17 1bzz h LEU 91 Ca 0.00 -0.22 -0.42 0.00 0.09 0.00 0.00 57.88 57.33 1bzz h LEU 91 Cb 0.21 -0.07 0.05 0.00 0.09 0.00 0.00 40.66 40.95 1bzz h LEU 91 CO 0.00 0.41 -0.82 0.54 0.09 0.00 0.00 178.44 178.66 1bzz n ARG 92 N -4.81 -5.13 -2.50 1.13 1.74 0.73 -4.95 116.66 102.88 1bzz n ARG 92 Ca -0.05 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 1bzz n ARG 92 Cb 0.16 -5.26 -0.03 0.00 -1.02 0.00 0.00 32.46 26.31 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 -3.61 4.22 0.32 1.55 1.01 -1.26 -4.97 120.40 117.67 1bzz s VAL 93 Ca 0.09 1.62 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 1bzz s VAL 93 Cb -0.04 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 1bzz s VAL 93 CO 0.81 0.14 1.56 -0.62 0.00 0.00 0.00 175.10 176.98 1bzz s ASP 94 N 0.94 6.37 0.59 3.32 -1.08 -1.26 -4.83 116.67 120.71 1bzz s ASP 94 Ca 0.56 2.98 0.29 0.00 -0.52 0.00 0.00 52.55 55.86 1bzz s ASP 94 Cb -0.27 -2.65 1.51 0.00 -1.46 0.00 0.00 42.92 40.05 1bzz s ASP 94 CO 0.29 -0.90 1.94 -0.65 0.52 0.00 0.00 175.17 176.37 1bzz h PRO 95 N 4.24 0.00 -0.07 4.34 0.11 -2.00 -1.87 132.00 136.75 1bzz h PRO 95 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1bzz h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1bzz h PRO 95 CO 0.74 0.00 0.05 0.28 -0.21 0.00 0.00 178.00 178.86 1bzz h VAL 96 N 0.00 1.01 0.00 3.15 2.07 -2.04 -2.50 116.25 117.94 1bzz h VAL 96 Ca 0.19 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1bzz h VAL 96 Cb 1.04 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1bzz h VAL 96 CO -0.00 0.02 -0.16 0.78 0.02 0.00 0.00 177.57 178.23 1bzz h ASN 97 N 0.09 0.00 -0.45 0.57 4.21 -1.70 -2.71 115.58 115.59 1bzz h ASN 97 Ca 0.03 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.49 1bzz h ASN 97 Cb 0.00 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.18 1bzz h ASN 97 CO -0.01 0.16 0.13 -0.26 -1.29 0.00 0.00 177.43 176.17 1bzz h PHE 98 N 0.00 0.79 -0.28 1.19 -1.00 -1.63 -2.17 116.94 113.84 1bzz h PHE 98 Ca -0.00 -0.06 -0.10 0.00 2.81 0.00 0.00 57.97 60.62 1bzz h PHE 98 Cb 0.43 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1bzz h PHE 98 CO 0.00 0.66 -0.24 1.57 -1.61 0.00 0.00 178.31 178.69 1bzz h LYS 99 N 0.75 0.53 -0.27 1.51 5.09 -1.64 -0.57 116.57 121.97 1bzz h LYS 99 Ca 0.17 -0.20 -0.15 0.00 0.09 0.00 0.00 60.65 60.56 1bzz h LYS 99 Cb 0.26 -0.03 -0.00 0.00 0.10 0.00 0.00 32.23 32.56 1bzz h LYS 99 CO -0.00 0.73 -0.42 -0.07 -2.09 0.00 0.00 179.45 177.60 1bzz h LEU 100 N 0.47 0.83 -0.59 7.07 3.38 -1.43 -1.78 115.31 123.26 1bzz h LEU 100 Ca 0.07 -0.52 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1bzz h LEU 100 Cb 0.66 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 1bzz h LEU 100 CO 0.05 1.19 -0.04 0.25 0.09 0.00 0.00 178.44 179.98 1bzz h LEU 101 N 0.50 1.05 -0.63 1.67 6.46 -1.33 -2.27 115.31 120.76 1bzz h LEU 101 Ca 0.02 -0.32 0.04 0.00 -0.12 0.00 0.00 57.88 57.51 1bzz h LEU 101 Cb 1.01 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 40.61 1bzz h LEU 101 CO 0.10 1.12 0.36 0.28 -0.62 0.00 0.00 178.44 179.68 1bzz h SER 102 N 0.95 0.56 -0.20 1.25 0.02 -1.00 0.20 113.55 115.32 1bzz h SER 102 Ca 0.16 0.02 0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1bzz h SER 102 Cb 0.61 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 1bzz h SER 102 CO 0.04 0.37 0.06 -0.74 -1.14 0.00 0.00 176.83 175.42 1bzz h HIS 103 N 0.69 0.11 -0.07 3.45 -0.00 -1.21 -0.57 115.15 117.55 1bzz h HIS 103 Ca 0.27 0.01 -0.10 0.00 -0.00 0.00 0.00 60.37 60.55 1bzz h HIS 103 Cb 0.11 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1bzz h HIS 103 CO -0.07 0.05 -0.41 0.00 -0.00 0.00 0.00 177.93 177.50 1bzz h LEU 105 N 0.12 0.79 -0.77 0.00 5.85 -0.36 -1.84 115.31 119.10 1bzz h LEU 105 Ca 0.01 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.38 1bzz h LEU 105 Cb 0.78 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 1bzz h LEU 105 CO 0.06 0.93 0.38 0.25 -0.34 0.00 0.00 178.44 179.72 1bzz h LEU 106 N 0.64 1.00 -0.90 2.25 5.85 -0.74 -1.23 115.31 122.18 1bzz h LEU 106 Ca 0.12 -0.13 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 1bzz h LEU 106 Cb 0.54 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1bzz h LEU 106 CO 0.03 0.85 0.25 0.58 -0.34 0.00 0.00 178.44 179.80 1bzz h VAL 107 N 1.08 1.25 -0.17 1.05 2.07 -1.13 -0.26 116.25 120.15 1bzz h VAL 107 Ca 0.27 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 1bzz h VAL 107 Cb 0.10 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 1bzz h VAL 107 CO -0.04 0.32 0.03 0.74 0.02 0.00 0.00 177.57 178.65 1bzz h THR 108 N 1.03 1.21 -0.33 2.57 2.02 -0.88 -1.56 112.91 116.96 1bzz h THR 108 Ca 0.23 -0.69 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 1bzz h THR 108 Cb 0.24 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 67.99 1bzz h THR 108 CO -0.01 0.21 0.20 -0.07 0.37 0.00 0.00 175.52 176.21 1bzz h LEU 109 N 0.07 0.40 -0.46 2.58 4.07 -1.07 -2.07 115.31 118.83 1bzz h LEU 109 Ca 0.05 -0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.04 1bzz h LEU 109 Cb 0.29 -0.10 -0.07 0.00 1.08 0.00 0.00 40.66 41.86 1bzz h LEU 109 CO 0.00 0.33 0.02 0.00 -1.08 0.00 0.00 178.44 177.72 1bzz h ALA 110 N 1.08 0.45 0.00 1.53 0.00 -0.87 0.86 119.26 122.31 1bzz h ALA 110 Ca 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1bzz h ALA 110 Cb 0.01 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1bzz h ALA 110 CO -0.02 -0.37 -0.10 0.00 0.00 0.00 0.00 179.25 178.75 1bzz h ALA 111 N 1.40 1.39 0.00 0.00 0.00 -0.89 -3.24 119.26 117.92 1bzz h ALA 111 Ca 0.23 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1bzz h ALA 111 Cb 0.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1bzz h ALA 111 CO -0.36 0.13 -1.23 0.72 0.00 0.00 0.00 179.25 178.51 1bzz n HIS 112 N -3.77 0.00 -3.31 0.00 -0.00 -0.81 -4.75 115.22 102.57 1bzz n HIS 112 Ca -0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.41 1bzz n HIS 112 Cb 0.21 -0.19 -0.07 0.00 -0.00 0.00 0.00 29.99 29.94 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 -1.71 4.14 -0.17 2.41 4.77 0.24 -4.92 117.00 121.76 1bzz n LEU 113 Ca -0.01 -5.46 -0.03 0.00 -0.03 0.00 0.00 56.01 50.48 1bzz n LEU 113 Cb 0.29 -0.71 0.06 0.00 -2.33 0.00 0.00 43.42 40.73 1bzz n LEU 113 CO 0.27 2.07 1.01 1.55 -1.33 0.00 0.00 177.39 180.95 1bzz h PRO 114 N 4.11 0.45 -0.35 3.23 0.13 -1.84 -2.12 132.00 135.61 1bzz h PRO 114 Ca 0.20 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.20 1bzz h PRO 114 Cb 0.63 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 1bzz h PRO 114 CO 0.88 0.30 -0.16 0.00 -0.23 0.00 0.00 178.00 178.79 1bzz h ALA 115 N 1.31 0.49 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.22 1bzz h ALA 115 Ca 0.24 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1bzz h ALA 115 Cb 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bzz h ALA 115 CO -0.19 0.41 -0.63 0.93 0.00 0.00 0.00 179.25 179.77 1bzz h GLU 116 N 0.51 0.00 -2.97 0.00 3.07 -1.94 -3.41 114.58 109.84 1bzz h GLU 116 Ca 0.08 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 58.29 1bzz h GLU 116 Cb 0.70 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 28.64 1bzz h GLU 116 CO 0.05 0.00 3.70 0.34 -1.40 0.00 0.00 179.01 181.70 1bzz n PHE 117 N -2.62 2.32 -1.88 4.33 7.35 -0.81 -4.75 117.46 121.39 1bzz n PHE 117 Ca 0.02 -3.03 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1bzz n PHE 117 Cb 0.51 -2.46 0.12 0.00 0.35 0.00 0.00 39.48 38.00 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 2.15 2.00 0.19 -2.13 -4.23 -1.26 -4.77 115.64 107.58 1bzz s THR 118 Ca 0.69 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.09 1bzz s THR 118 Cb 0.18 -2.98 0.10 0.00 1.34 0.00 0.00 72.50 71.14 1bzz s THR 118 CO -0.06 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.18 1bzz h PRO 119 N -1.23 0.60 -0.64 3.99 0.11 -1.99 0.94 132.00 133.79 1bzz h PRO 119 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1bzz h PRO 119 Cb 1.31 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1bzz h PRO 119 CO 0.59 0.40 0.10 0.00 -0.21 0.00 0.00 178.00 178.88 1bzz h ALA 120 N 1.28 0.97 -0.26 -0.75 0.00 -1.96 -0.66 119.26 117.88 1bzz h ALA 120 Ca 0.24 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1bzz h ALA 120 Cb 0.10 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1bzz h ALA 120 CO -0.14 0.65 -0.25 0.28 0.00 0.00 0.00 179.25 179.79 1bzz h VAL 121 N 0.98 1.31 -0.35 0.00 2.07 -1.70 -1.75 116.25 116.81 1bzz h VAL 121 Ca 0.20 -1.42 0.07 0.00 0.82 0.00 0.00 66.70 66.37 1bzz h VAL 121 Cb 0.43 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.77 1bzz h VAL 121 CO 0.01 0.45 -0.10 -0.74 0.02 0.00 0.00 177.57 177.21 1bzz h HIS 122 N 0.35 -0.21 -0.36 1.57 6.17 -0.66 0.29 115.15 122.30 1bzz h HIS 122 Ca 0.04 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.18 1bzz h HIS 122 Cb 0.81 0.15 -0.03 0.00 2.52 0.00 0.00 27.41 30.86 1bzz h HIS 122 CO 0.07 -0.16 0.18 0.00 0.71 0.00 0.00 177.93 178.73 1bzz h ALA 123 N 1.33 0.45 -0.70 5.26 0.00 -0.93 -0.84 119.26 123.82 1bzz h ALA 123 Ca 0.17 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1bzz h ALA 123 Cb 0.27 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1bzz h ALA 123 CO -0.37 -0.19 0.29 0.77 0.00 0.00 0.00 179.25 179.75 1bzz h SER 124 N 0.37 0.95 -0.55 0.00 0.02 -0.64 -1.50 113.55 112.19 1bzz h SER 124 Ca 0.15 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.84 1bzz h SER 124 Cb 0.07 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.34 1bzz h SER 124 CO -0.11 0.85 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.34 1bzz h LEU 125 N 0.99 1.00 -0.35 5.07 3.38 -0.19 0.36 115.31 125.57 1bzz h LEU 125 Ca 0.23 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.94 1bzz h LEU 125 Cb 0.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1bzz h LEU 125 CO -0.02 1.07 0.18 -0.78 0.09 0.00 0.00 178.44 178.97 1bzz h ASP 126 N 0.93 0.26 -0.61 -0.43 3.58 -0.87 -0.11 116.42 119.17 1bzz h ASP 126 Ca 0.16 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 1bzz h ASP 126 Cb 0.57 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.56 1bzz h ASP 126 CO 0.03 0.20 0.17 0.11 -2.88 0.00 0.00 179.24 176.87 1bzz h LYS 127 N 0.37 0.97 -0.34 0.28 1.57 -1.09 -1.12 116.57 117.21 1bzz h LYS 127 Ca 0.15 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1bzz h LYS 127 Cb 0.05 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.21 1bzz h LYS 127 CO -0.10 0.87 0.22 0.35 -0.57 0.00 0.00 179.45 180.23 1bzz h PHE 128 N 0.89 0.42 -0.72 -1.35 3.57 -0.34 -1.52 116.94 117.90 1bzz h PHE 128 Ca 0.19 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 1bzz h PHE 128 Cb 0.33 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1bzz h PHE 128 CO 0.02 0.27 0.33 -0.07 -2.23 0.00 0.00 178.31 176.64 1bzz h LEU 129 N 0.45 0.93 -0.83 0.59 3.38 -0.80 -0.05 115.31 118.98 1bzz h LEU 129 Ca 0.12 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1bzz h LEU 129 Cb -0.05 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1bzz h LEU 129 CO -0.03 0.79 0.22 0.00 0.09 0.00 0.00 178.44 179.52 1bzz h ALA 130 N 1.35 1.05 -0.30 1.53 0.00 -0.89 -0.86 119.26 121.13 1bzz h ALA 130 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1bzz h ALA 130 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1bzz h ALA 130 CO -0.03 0.64 -0.01 0.77 0.00 0.00 0.00 179.25 180.62 1bzz h SER 131 N 1.05 0.54 -0.30 0.00 0.02 -0.28 -0.83 113.55 113.74 1bzz h SER 131 Ca 0.23 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.89 1bzz h SER 131 Cb 0.30 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 1bzz h SER 131 CO -0.01 0.73 0.13 0.58 -1.14 0.00 0.00 176.83 177.12 1bzz h VAL 132 N 0.33 0.96 -0.67 2.27 2.07 -0.88 -0.96 116.25 119.36 1bzz h VAL 132 Ca 0.08 -0.10 0.05 0.00 0.82 0.00 0.00 66.70 67.55 1bzz h VAL 132 Cb 0.46 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1bzz h VAL 132 CO 0.02 0.05 0.40 0.28 0.02 0.00 0.00 177.57 178.34 1bzz h SER 133 N 0.28 0.62 -0.59 0.57 0.02 -0.89 0.87 113.55 114.43 1bzz h SER 133 Ca 0.13 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1bzz h SER 133 Cb 0.07 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1bzz h SER 133 CO -0.11 0.41 0.35 0.74 -1.14 0.00 0.00 176.83 177.08 1bzz h THR 134 N 0.75 1.18 -0.31 -2.27 2.02 -0.86 -1.96 112.91 111.46 1bzz h THR 134 Ca 0.29 -0.41 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 1bzz h THR 134 Cb 0.11 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1bzz h THR 134 CO -0.15 0.19 0.06 0.58 0.37 0.00 0.00 175.52 176.57 1bzz h VAL 135 N 0.80 1.23 0.00 3.16 2.07 -0.58 -1.80 116.25 121.13 1bzz h VAL 135 Ca 0.21 -0.79 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 1bzz h VAL 135 Cb -0.01 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1bzz h VAL 135 CO -0.04 0.26 -0.02 -0.07 0.02 0.00 0.00 177.57 177.72 1bzz h LEU 136 N 0.34 0.00 -2.01 2.57 3.38 -0.56 -2.47 115.31 116.56 1bzz h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1bzz h LEU 136 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1bzz h LEU 136 CO 0.00 0.02 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1bzz n THR 137 N -3.88 0.31 0.30 0.22 -2.24 -0.76 -4.49 114.28 103.74 1bzz n THR 137 Ca -0.03 -0.66 0.18 0.00 -2.27 0.00 0.00 64.05 61.28 1bzz n THR 137 Cb 0.11 1.08 0.82 0.00 -2.10 0.00 0.00 70.33 70.23 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 3.14 0.00 -0.42 3.42 4.64 -0.83 -2.89 113.55 120.60 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 0.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.82 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 -2.97 3.19 -0.23 4.77 5.02 -1.26 -4.62 118.16 122.07 1bzz n LYS 139 Ca -0.00 -2.59 0.02 0.00 -2.02 0.00 0.00 58.31 53.72 1bzz n LYS 139 Cb 0.22 -1.66 0.25 0.00 -0.02 0.00 0.00 35.03 33.82 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 2.64 0.94 0.00 2.13 -1.99 -1.83 -3.46 116.97 115.40 1bzz h TYR 140 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1bzz h TYR 140 Cb 1.20 -0.32 0.00 0.00 2.00 0.00 0.00 36.73 39.61 1bzz h TYR 140 CO 0.50 0.57 0.00 2.89 -0.00 0.00 0.00 178.16 182.12