#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bzz s HIS 2 N 0.00 3.12 -0.08 6.34 2.46 -1.26 -4.64 115.29 121.22 1bzz s HIS 2 Ca 0.00 -0.92 0.02 0.00 0.47 0.00 0.00 55.06 54.63 1bzz s HIS 2 Cb 0.00 -3.68 -0.02 0.00 -0.13 0.00 0.00 32.58 28.75 1bzz s HIS 2 CO 0.00 -1.07 -0.13 -0.51 -2.47 0.00 0.00 174.74 170.56 1bzz s LEU 3 N 2.22 2.76 0.83 8.88 1.43 -1.26 -5.10 118.68 128.44 1bzz s LEU 3 Ca 0.09 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1bzz s LEU 3 Cb -0.24 -1.59 0.09 0.00 0.03 0.00 0.00 46.19 44.48 1bzz s LEU 3 CO 0.07 0.28 1.10 0.42 0.23 0.00 0.00 176.35 178.45 1bzz s THR 4 N -0.31 2.90 0.57 5.49 -4.23 -1.26 -4.69 115.64 114.10 1bzz s THR 4 Ca 0.03 0.29 0.28 0.00 -1.18 0.00 0.00 61.69 61.11 1bzz s THR 4 Cb -0.13 -2.65 0.40 0.00 1.34 0.00 0.00 72.50 71.46 1bzz s THR 4 CO 0.03 -0.38 1.94 -0.65 -0.54 0.00 0.00 174.62 175.02 1bzz h PRO 5 N -1.41 0.00 0.10 3.99 0.11 -2.00 -0.20 132.00 132.60 1bzz h PRO 5 Ca -0.45 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 65.40 1bzz h PRO 5 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1bzz h PRO 5 CO 0.49 0.00 -1.18 0.93 -0.21 0.00 0.00 178.00 178.03 1bzz h GLU 6 N 0.00 0.30 -0.39 1.05 4.39 -1.99 -1.67 114.58 116.26 1bzz h GLU 6 Ca 0.24 -0.46 -0.09 0.00 0.34 0.00 0.00 59.36 59.39 1bzz h GLU 6 Cb 1.14 0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1bzz h GLU 6 CO -0.00 1.20 -0.10 0.93 -1.16 0.00 0.00 179.01 179.87 1bzz h GLU 7 N 0.10 0.76 -0.58 2.33 5.08 -1.57 -0.70 114.58 120.00 1bzz h GLU 7 Ca -0.12 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 57.91 1bzz h GLU 7 Cb 1.89 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.07 1bzz h GLU 7 CO 0.20 0.90 0.23 -0.22 -1.00 0.00 0.00 179.01 179.12 1bzz h LYS 8 N 0.57 0.86 -0.13 2.33 1.63 -1.05 -1.63 116.57 119.15 1bzz h LYS 8 Ca 0.10 -0.16 -0.12 0.00 -0.85 0.00 0.00 60.65 59.62 1bzz h LYS 8 Cb 0.62 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 1bzz h LYS 8 CO 0.04 0.74 -0.45 0.66 -3.45 0.00 0.00 179.45 176.99 1bzz h SER 9 N 0.80 0.32 -0.63 4.20 4.64 -1.19 -1.68 113.55 120.01 1bzz h SER 9 Ca 0.19 -0.15 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1bzz h SER 9 Cb 0.20 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.17 1bzz h SER 9 CO -0.02 0.73 0.29 0.00 -0.87 0.00 0.00 176.83 176.97 1bzz h ALA 10 N 1.28 0.81 0.66 5.18 0.00 -0.58 -0.23 119.26 126.38 1bzz h ALA 10 Ca 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1bzz h ALA 10 Cb 0.89 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.44 1bzz h ALA 10 CO 0.07 0.38 -0.32 0.28 0.00 0.00 0.00 179.25 179.67 1bzz h VAL 11 N 0.87 0.30 -0.25 0.00 2.07 -1.12 -2.39 116.25 115.72 1bzz h VAL 11 Ca 0.21 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1bzz h VAL 11 Cb 0.13 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 1bzz h VAL 11 CO -0.03 0.02 0.16 0.74 0.02 0.00 0.00 177.57 178.49 1bzz h THR 12 N -1.00 1.06 -0.57 2.57 2.02 -1.29 -1.86 112.91 113.84 1bzz h THR 12 Ca -0.09 -0.11 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1bzz h THR 12 Cb 0.71 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1bzz h THR 12 CO 0.15 0.06 0.36 0.00 0.37 0.00 0.00 175.52 176.46 1bzz h ALA 13 N 1.10 0.73 -0.40 6.16 0.00 -1.05 -2.56 119.26 123.25 1bzz h ALA 13 Ca 0.09 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1bzz h ALA 13 Cb -0.03 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1bzz h ALA 13 CO -0.03 0.11 -0.35 1.25 0.00 0.00 0.00 179.25 180.24 1bzz h LEU 14 N 0.73 0.98 -1.81 0.00 6.46 -1.27 -3.18 115.31 117.22 1bzz h LEU 14 Ca 0.22 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.53 1bzz h LEU 14 Cb -0.03 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.63 1bzz h LEU 14 CO -0.07 1.22 -0.11 -0.25 -0.62 0.00 0.00 178.44 178.61 1bzz h TRP 15 N 0.76 0.00 0.00 1.25 2.91 -1.01 -2.21 115.95 117.65 1bzz h TRP 15 Ca 0.07 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.09 1bzz h TRP 15 Cb 0.93 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1bzz h TRP 15 CO 0.06 0.11 -0.02 0.78 -1.03 0.00 0.00 178.44 178.34 1bzz h GLY 16 N 0.35 0.00 -0.06 2.65 0.00 -1.44 -1.10 103.07 103.46 1bzz h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1bzz h GLY 16 CO 0.01 0.00 -0.58 0.28 0.00 0.00 0.00 176.54 176.26 1bzz n LYS 17 N -3.23 0.56 -2.65 4.80 5.02 -0.84 -4.94 118.16 116.89 1bzz n LYS 17 Ca -0.02 -0.42 -0.42 0.00 -2.02 0.00 0.00 58.31 55.43 1bzz n LYS 17 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 1bzz n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1bzz s VAL 18 N -2.73 4.55 -0.65 -0.18 1.01 -0.42 -4.99 120.40 117.00 1bzz s VAL 18 Ca 0.16 1.92 -0.22 0.00 0.00 0.00 0.00 61.98 63.83 1bzz s VAL 18 Cb 0.18 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.40 1bzz s VAL 18 CO 0.67 0.20 0.95 0.21 0.00 0.00 0.00 175.10 177.13 1bzz s ASN 19 N 0.70 6.18 0.36 3.32 3.84 -1.26 -4.92 114.94 123.15 1bzz s ASN 19 Ca 0.52 -0.98 0.05 0.00 0.21 0.00 0.00 52.86 52.66 1bzz s ASN 19 Cb -0.24 -2.41 0.72 0.00 -0.55 0.00 0.00 41.25 38.77 1bzz s ASN 19 CO 0.29 -1.42 1.96 0.58 -2.79 0.00 0.00 177.10 175.72 1bzz h VAL 20 N 5.97 1.03 0.34 -5.21 2.07 -1.95 -0.76 116.25 117.75 1bzz h VAL 20 Ca -0.29 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 66.96 1bzz h VAL 20 Cb 1.07 0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.99 1bzz h VAL 20 CO 1.17 0.14 -0.46 0.44 0.02 0.00 0.00 177.57 178.89 1bzz h ASP 21 N 0.78 -1.30 -0.09 0.57 3.32 -1.91 0.24 116.42 118.03 1bzz h ASP 21 Ca 0.31 0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.48 1bzz h ASP 21 Cb 0.23 0.45 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 1bzz h ASP 21 CO -0.10 -0.58 0.03 -0.33 -1.72 0.00 0.00 179.24 176.54 1bzz h GLU 22 N -0.84 0.14 -0.36 3.56 5.08 -1.87 -2.43 114.58 117.86 1bzz h GLU 22 Ca -0.03 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1bzz h GLU 22 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 1bzz h GLU 22 CO -0.13 0.27 -0.27 0.28 -1.00 0.00 0.00 179.01 178.16 1bzz h VAL 23 N -0.03 1.28 -0.31 3.13 2.07 -1.17 -2.40 116.25 118.81 1bzz h VAL 23 Ca 0.03 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.19 1bzz h VAL 23 Cb 0.19 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.22 1bzz h VAL 23 CO -0.00 0.46 0.12 1.23 0.02 0.00 0.00 177.57 179.40 1bzz h GLY 24 N 0.97 0.39 1.00 2.17 0.00 -0.89 0.44 103.07 107.15 1bzz h GLY 24 Ca 0.08 -0.08 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1bzz h GLY 24 CO 0.06 0.05 0.08 -1.33 0.00 0.00 0.00 176.54 175.40 1bzz h GLY 25 N 0.26 0.95 0.86 4.60 0.00 -1.41 -1.59 103.07 106.74 1bzz h GLY 25 Ca 0.13 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1bzz h GLY 25 CO -0.13 0.59 0.05 0.83 0.00 0.00 0.00 176.54 177.89 1bzz h GLU 26 N 0.77 0.30 0.08 4.80 4.39 -1.13 -1.45 114.58 122.34 1bzz h GLU 26 Ca 0.16 -0.07 -0.00 0.00 0.34 0.00 0.00 59.36 59.79 1bzz h GLU 26 Cb 0.41 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1bzz h GLU 26 CO 0.01 0.42 -0.04 0.00 -1.16 0.00 0.00 179.01 178.24 1bzz h ALA 27 N 0.87 -0.11 -0.49 3.43 0.00 -0.81 0.04 119.26 122.18 1bzz h ALA 27 Ca 0.06 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1bzz h ALA 27 Cb 0.25 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1bzz h ALA 27 CO -0.00 -0.53 0.12 1.25 0.00 0.00 0.00 179.25 180.09 1bzz h LEU 28 N -0.18 0.75 -0.52 0.00 5.85 -1.33 -1.44 115.31 118.44 1bzz h LEU 28 Ca -0.01 -0.23 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 1bzz h LEU 28 Cb 0.15 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1bzz h LEU 28 CO 0.02 0.78 0.32 1.23 -0.34 0.00 0.00 178.44 180.45 1bzz h GLY 29 N 0.68 0.74 1.61 3.75 0.00 -1.12 -2.42 103.07 106.31 1bzz h GLY 29 Ca 0.16 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1bzz h GLY 29 CO 0.00 0.29 -0.10 3.21 0.00 0.00 0.00 176.54 179.94 1bzz h ARG 30 N 0.70 0.47 -0.33 4.80 3.08 -0.85 -1.41 114.38 120.83 1bzz h ARG 30 Ca 0.19 -0.13 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1bzz h ARG 30 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1bzz h ARG 30 CO -0.04 0.58 0.22 1.25 -1.07 0.00 0.00 179.97 180.91 1bzz h LEU 31 N 0.44 0.39 -1.49 3.04 5.85 -0.80 0.30 115.31 123.03 1bzz h LEU 31 Ca 0.08 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.73 1bzz h LEU 31 Cb 0.45 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1bzz h LEU 31 CO 0.03 0.30 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.12 1bzz h LEU 32 N 0.45 0.00 0.00 2.25 4.07 -0.99 -0.78 115.31 120.30 1bzz h LEU 32 Ca 0.12 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.02 1bzz h LEU 32 Cb -0.03 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 1bzz h LEU 32 CO -0.03 0.23 -0.34 0.58 -1.08 0.00 0.00 178.44 177.80 1bzz h VAL 33 N 0.00 1.34 -0.18 1.22 2.07 -0.76 -3.29 116.25 116.64 1bzz h VAL 33 Ca -0.00 -2.13 -0.16 0.00 0.82 0.00 0.00 66.70 65.23 1bzz h VAL 33 Cb 0.55 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 1bzz h VAL 33 CO 0.03 0.45 -0.55 0.58 0.02 0.00 0.00 177.57 178.10 1bzz h VAL 34 N -1.00 1.32 -2.65 2.57 2.07 -0.97 -3.36 116.25 114.24 1bzz h VAL 34 Ca -0.09 -1.81 -0.60 0.00 0.82 0.00 0.00 66.70 65.02 1bzz h VAL 34 Cb 0.96 1.78 -0.40 0.00 -1.52 0.00 0.00 31.29 32.12 1bzz h VAL 34 CO -0.05 0.56 -0.80 -1.22 0.02 0.00 0.00 177.57 176.08 1bzz n TYR 35 N -3.95 1.00 0.30 1.57 4.01 -0.30 -4.98 117.16 114.81 1bzz n TYR 35 Ca -0.03 -3.77 0.19 0.00 -0.16 0.00 0.00 57.90 54.13 1bzz n TYR 35 Cb 0.61 -0.16 0.96 0.00 -0.31 0.00 0.00 39.34 40.44 1bzz n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1bzz h PRO 36 N 5.42 0.00 -0.05 -0.72 0.13 -1.72 -1.49 132.00 133.58 1bzz h PRO 36 Ca 0.21 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.35 1bzz h PRO 36 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1bzz h PRO 36 CO 0.54 0.03 0.06 0.11 -0.23 0.00 0.00 178.00 178.50 1bzz h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -0.66 115.95 115.03 1bzz h TRP 37 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1bzz h TRP 37 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.44 1bzz h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1bzz h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.59 -2.61 112.91 110.18 1bzz h THR 38 Ca 0.02 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1bzz h THR 38 Cb 0.14 0.69 0.00 0.00 -1.73 0.00 0.00 68.15 67.25 1bzz h THR 38 CO -0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1bzz h GLN 39 N 0.00 0.00 -0.19 4.72 4.20 -1.32 -3.09 115.11 119.43 1bzz h GLN 39 Ca 0.00 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1bzz h GLN 39 Cb 0.14 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 1bzz h GLN 39 CO 0.00 0.00 0.29 0.07 -0.67 0.00 0.00 178.83 178.52 1bzz h ARG 40 N 0.00 0.00 -0.01 1.46 0.11 -1.68 -0.48 114.38 113.78 1bzz h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bzz h ARG 40 Cb 0.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.36 1bzz h ARG 40 CO 0.00 0.00 -0.13 1.19 0.10 0.00 0.00 179.97 181.13 1bzz n PHE 41 N -3.51 0.00 -2.23 4.08 3.72 -1.17 -4.44 117.46 113.92 1bzz n PHE 41 Ca 0.02 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.37 1bzz n PHE 41 Cb 0.41 -0.06 0.07 0.00 -0.94 0.00 0.00 39.48 38.96 1bzz n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1bzz n PHE 42 N -0.16 1.12 -0.04 1.38 3.72 -0.19 -4.84 117.46 118.45 1bzz n PHE 42 Ca 0.15 -1.66 0.15 0.00 -0.05 0.00 0.00 57.45 56.05 1bzz n PHE 42 Cb 0.36 -0.25 0.58 0.00 -0.94 0.00 0.00 39.48 39.23 1bzz n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1bzz h GLU 43 N 1.75 0.23 -0.25 -1.08 4.39 -1.78 -1.39 114.58 116.46 1bzz h GLU 43 Ca 0.02 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.71 1bzz h GLU 43 Cb 1.42 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.01 1bzz h GLU 43 CO 0.29 0.15 0.00 -1.13 -1.16 0.00 0.00 179.01 177.16 1bzz n SER 44 N -4.45 1.36 -0.12 1.42 3.41 -1.26 -4.19 113.62 109.79 1bzz n SER 44 Ca 0.10 -1.98 0.14 0.00 -0.26 0.00 0.00 58.87 56.87 1bzz n SER 44 Cb 0.45 -0.16 0.62 0.00 -0.26 0.00 0.00 64.21 64.86 1bzz n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1bzz n PHE 45 N 0.23 0.00 0.00 7.33 3.01 -0.52 -5.04 117.46 122.47 1bzz n PHE 45 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1bzz n PHE 45 Cb 0.22 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1bzz n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1bzz n GLY 46 N 1.26 0.13 3.64 1.37 0.00 -1.26 -4.68 105.19 105.66 1bzz n GLY 46 Ca 0.15 -1.85 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1bzz n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bzz s ASP 47 N -4.00 6.90 -0.03 1.61 2.15 -1.26 -4.87 116.67 117.17 1bzz s ASP 47 Ca 0.00 1.27 0.05 0.00 0.43 0.00 0.00 52.55 54.30 1bzz s ASP 47 Cb 0.00 -2.54 0.07 0.00 -0.30 0.00 0.00 42.92 40.15 1bzz s ASP 47 CO 0.00 -0.87 0.91 0.18 -0.17 0.00 0.00 175.17 175.22 1bzz n LEU 48 N 6.91 1.15 -0.13 -1.34 4.77 -1.26 -4.06 117.00 123.04 1bzz n LEU 48 Ca 0.13 -1.55 -0.05 0.00 -0.03 0.00 0.00 56.01 54.51 1bzz n LEU 48 Cb 0.46 -0.11 0.13 0.00 -2.33 0.00 0.00 43.42 41.58 1bzz n LEU 48 CO 0.58 0.37 0.87 0.77 -1.33 0.00 0.00 177.39 178.66 1bzz h SER 49 N 0.00 0.82 -3.30 -1.43 4.64 -1.93 -3.43 113.55 108.93 1bzz h SER 49 Ca 0.00 -0.20 -0.44 0.00 -0.47 0.00 0.00 61.79 60.68 1bzz h SER 49 Cb 0.94 -0.22 -0.14 0.00 -0.31 0.00 0.00 62.40 62.67 1bzz h SER 49 CO 0.00 0.88 -0.71 0.42 -0.87 0.00 0.00 176.83 176.55 1bzz s THR 50 N -5.01 1.58 0.28 2.95 -4.23 -1.26 -5.03 115.64 104.92 1bzz s THR 50 Ca -0.10 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.25 1bzz s THR 50 Cb 0.14 -2.14 0.28 0.00 1.34 0.00 0.00 72.50 72.12 1bzz s THR 50 CO 0.82 -0.52 1.88 -0.65 -0.54 0.00 0.00 174.62 175.61 1bzz h PRO 51 N 2.51 1.06 -0.38 3.99 0.11 -1.98 0.25 132.00 137.57 1bzz h PRO 51 Ca -0.38 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.53 1bzz h PRO 51 Cb 1.22 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1bzz h PRO 51 CO 0.64 0.70 -0.27 -0.44 -0.21 0.00 0.00 178.00 178.42 1bzz h ASP 52 N 1.10 0.89 0.46 -2.05 3.32 -1.98 0.12 116.42 118.27 1bzz h ASP 52 Ca 0.44 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 57.04 1bzz h ASP 52 Cb 0.26 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1bzz h ASP 52 CO -0.19 1.14 -0.24 0.00 -1.72 0.00 0.00 179.24 178.23 1bzz h ALA 53 N 0.78 -0.65 0.04 3.45 0.00 -1.65 -1.51 119.26 119.72 1bzz h ALA 53 Ca 0.07 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1bzz h ALA 53 Cb 0.84 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1bzz h ALA 53 CO 0.07 -0.87 -0.24 0.28 0.00 0.00 0.00 179.25 178.49 1bzz h VAL 54 N -0.65 0.46 -0.26 0.00 2.07 -0.39 -2.72 116.25 114.75 1bzz h VAL 54 Ca -0.06 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 1bzz h VAL 54 Cb 0.51 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1bzz h VAL 54 CO 0.08 0.00 -0.12 0.24 0.02 0.00 0.00 177.57 177.79 1bzz h MET 55 N -0.40 0.43 -0.40 1.57 2.07 -0.96 -2.85 114.93 114.41 1bzz h MET 55 Ca 0.05 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 1bzz h MET 55 Cb 0.46 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1bzz h MET 55 CO -0.19 0.56 0.00 0.41 1.07 0.00 0.00 176.91 178.76 1bzz n GLY 56 N -0.70 1.22 3.67 8.32 0.00 -0.57 -4.89 105.19 112.24 1bzz n GLY 56 Ca 0.00 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.02 1bzz n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1bzz s ASN 57 N -1.28 6.86 0.32 1.61 3.84 -1.03 -4.89 114.94 120.37 1bzz s ASN 57 Ca 0.35 1.97 0.06 0.00 0.21 0.00 0.00 52.86 55.45 1bzz s ASN 57 Cb 0.19 -2.55 0.56 0.00 -0.55 0.00 0.00 41.25 38.91 1bzz s ASN 57 CO 0.27 -0.77 1.80 1.55 -2.79 0.00 0.00 177.10 177.15 1bzz h PRO 58 N 8.33 0.35 -0.26 0.43 0.13 -1.91 -2.01 132.00 137.06 1bzz h PRO 58 Ca -0.34 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1bzz h PRO 58 Cb 1.15 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1bzz h PRO 58 CO 0.94 0.56 -0.24 0.87 -0.23 0.00 0.00 178.00 179.89 1bzz h LYS 59 N 0.32 0.50 -0.15 0.86 6.56 -1.90 -0.29 116.57 122.47 1bzz h LYS 59 Ca 0.05 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.45 1bzz h LYS 59 Cb 0.57 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.19 1bzz h LYS 59 CO 0.04 0.71 0.06 0.28 -2.06 0.00 0.00 179.45 178.48 1bzz h VAL 60 N 0.45 1.15 -0.56 0.50 2.07 -1.80 -1.36 116.25 116.71 1bzz h VAL 60 Ca 0.07 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 67.14 1bzz h VAL 60 Cb 0.66 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1bzz h VAL 60 CO 0.05 0.14 0.37 0.11 0.02 0.00 0.00 177.57 178.26 1bzz h LYS 61 N 0.09 0.74 -0.21 1.57 1.57 -1.10 0.52 116.57 119.75 1bzz h LYS 61 Ca 0.05 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bzz h LYS 61 Cb 0.17 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1bzz h LYS 61 CO -0.00 0.49 0.12 0.00 -0.57 0.00 0.00 179.45 179.49 1bzz h ALA 62 N 1.20 0.27 -0.44 3.86 0.00 -1.01 -1.07 119.26 122.08 1bzz h ALA 62 Ca 0.20 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1bzz h ALA 62 Cb -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1bzz h ALA 62 CO -0.04 -0.21 0.12 1.25 0.00 0.00 0.00 179.25 180.36 1bzz h HIS 63 N 0.25 0.72 -0.63 0.00 -0.00 -1.03 -1.92 115.15 112.55 1bzz h HIS 63 Ca 0.08 -0.08 0.11 0.00 -0.00 0.00 0.00 60.37 60.48 1bzz h HIS 63 Cb 0.04 -0.21 -0.08 0.00 -0.00 0.00 0.00 27.41 27.16 1bzz h HIS 63 CO -0.04 0.67 0.19 0.78 -0.00 0.00 0.00 177.93 179.52 1bzz h GLY 64 N 0.57 0.86 1.02 5.26 0.00 -0.74 0.16 103.07 110.19 1bzz h GLY 64 Ca 0.14 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 1bzz h GLY 64 CO -0.00 -0.08 0.39 1.70 0.00 0.00 0.00 176.54 178.54 1bzz h LYS 65 N 0.33 1.12 -0.01 4.80 3.64 -0.81 -1.68 116.57 123.95 1bzz h LYS 65 Ca 0.33 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1bzz h LYS 65 Cb 0.47 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1bzz h LYS 65 CO -0.37 0.86 0.00 0.87 -2.27 0.00 0.00 179.45 178.54 1bzz h LYS 66 N 1.10 0.02 -0.11 1.90 1.57 -0.49 -1.74 116.57 118.82 1bzz h LYS 66 Ca 0.27 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.05 1bzz h LYS 66 Cb 0.10 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1bzz h LYS 66 CO -0.04 0.23 0.06 0.28 -0.57 0.00 0.00 179.45 179.41 1bzz h VAL 67 N -0.18 1.00 -0.04 0.50 2.07 -0.61 -2.13 116.25 116.85 1bzz h VAL 67 Ca 0.00 -0.04 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1bzz h VAL 67 Cb 0.21 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1bzz h VAL 67 CO -0.00 0.02 -0.35 -0.07 0.02 0.00 0.00 177.57 177.20 1bzz h LEU 68 N 0.13 0.08 -0.48 2.57 3.38 -1.31 -0.61 115.31 119.07 1bzz h LEU 68 Ca 0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1bzz h LEU 68 Cb 0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1bzz h LEU 68 CO -0.03 0.43 0.29 1.23 0.09 0.00 0.00 178.44 180.45 1bzz h GLY 69 N 1.09 0.70 1.35 0.83 0.00 -1.22 0.62 103.07 106.43 1bzz h GLY 69 Ca 0.01 -0.29 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1bzz h GLY 69 CO 0.05 0.28 -0.38 0.00 0.00 0.00 0.00 176.54 176.49 1bzz h ALA 70 N 1.14 0.76 -0.63 3.60 0.00 -0.85 -2.38 119.26 120.89 1bzz h ALA 70 Ca 0.17 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1bzz h ALA 70 Cb -0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 1bzz h ALA 70 CO -0.03 0.66 0.35 0.35 0.00 0.00 0.00 179.25 180.58 1bzz h PHE 71 N 0.59 0.86 -0.83 0.00 3.04 -0.70 -2.52 116.94 117.37 1bzz h PHE 71 Ca 0.05 -0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.06 1bzz h PHE 71 Cb 0.92 -0.28 -0.06 0.00 2.56 0.00 0.00 35.95 39.09 1bzz h PHE 71 CO 0.05 0.61 0.50 0.77 -2.02 0.00 0.00 178.31 178.22 1bzz h SER 72 N 0.86 0.77 -0.90 0.41 0.02 0.74 -2.12 113.55 113.32 1bzz h SER 72 Ca 0.22 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.31 1bzz h SER 72 Cb 0.03 -0.13 -0.08 0.00 0.14 0.00 0.00 62.40 62.36 1bzz h SER 72 CO -0.04 0.48 0.53 0.44 -1.14 0.00 0.00 176.83 177.10 1bzz h ASP 73 N 0.90 0.76 0.81 3.07 3.32 -1.13 -1.44 116.42 122.71 1bzz h ASP 73 Ca 0.38 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.47 1bzz h ASP 73 Cb 0.23 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 1bzz h ASP 73 CO -0.19 0.40 -0.04 1.23 -1.72 0.00 0.00 179.24 178.92 1bzz h GLY 74 N 0.85 0.00 2.00 2.75 0.00 -1.20 -2.22 103.07 105.25 1bzz h GLY 74 Ca 0.45 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.73 1bzz h GLY 74 CO -0.27 0.00 -0.22 1.41 0.00 0.00 0.00 176.54 177.46 1bzz h LEU 75 N 0.00 0.00 0.00 3.11 4.07 -1.17 -2.29 115.31 119.02 1bzz h LEU 75 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1bzz h LEU 75 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1bzz h LEU 75 CO 0.00 0.22 -0.22 0.00 -1.08 0.00 0.00 178.44 177.37 1bzz h ALA 76 N 1.78 0.87 -1.22 1.53 0.00 -1.43 -3.36 119.26 117.43 1bzz h ALA 76 Ca -0.00 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.46 1bzz h ALA 76 Cb 0.63 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 18.01 1bzz h ALA 76 CO 0.03 0.00 -1.01 0.72 0.00 0.00 0.00 179.25 178.98 1bzz n HIS 77 N -2.46 2.03 0.32 0.00 8.25 -0.89 -4.89 115.22 117.59 1bzz n HIS 77 Ca 0.04 -2.94 0.20 0.00 -0.26 0.00 0.00 57.72 54.76 1bzz n HIS 77 Cb 0.47 -0.27 1.09 0.00 1.12 0.00 0.00 29.99 32.40 1bzz n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1bzz h LEU 78 N 2.84 0.00 0.00 2.41 5.85 -1.65 0.20 115.31 124.96 1bzz h LEU 78 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1bzz h LEU 78 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1bzz h LEU 78 CO 0.64 0.01 -0.44 -0.90 -0.34 0.00 0.00 178.44 177.40 1bzz n ASP 79 N -3.34 0.61 -3.07 1.25 5.75 -1.26 -0.42 116.55 116.06 1bzz n ASP 79 Ca -0.03 0.16 -0.17 0.00 -0.01 0.00 0.00 54.79 54.74 1bzz n ASP 79 Cb 0.09 -0.04 -0.01 0.00 -1.03 0.00 0.00 41.12 40.13 1bzz n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1bzz n ASN 80 N -1.96 -0.13 -0.01 -1.12 5.15 0.04 -4.71 115.26 112.53 1bzz n ASN 80 Ca 0.04 -3.11 -0.12 0.00 -0.60 0.00 0.00 54.58 50.79 1bzz n ASN 80 Cb 0.41 0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.61 1bzz n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1bzz h LEU 81 N 3.23 0.09 -0.61 1.20 3.38 -1.74 0.53 115.31 121.39 1bzz h LEU 81 Ca 0.04 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.86 1bzz h LEU 81 Cb 0.98 -0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.65 1bzz h LEU 81 CO 0.41 0.29 0.29 0.11 0.09 0.00 0.00 178.44 179.63 1bzz h LYS 82 N -0.11 0.52 -0.51 1.13 6.56 -1.90 0.78 116.57 123.04 1bzz h LYS 82 Ca 0.02 -0.03 -0.13 0.00 -1.06 0.00 0.00 60.65 59.45 1bzz h LYS 82 Cb 0.23 -0.12 -0.01 0.00 -0.57 0.00 0.00 32.23 31.76 1bzz h LYS 82 CO -0.00 0.34 -0.18 0.78 -2.06 0.00 0.00 179.45 178.34 1bzz h GLY 83 N 0.54 1.10 0.97 3.86 0.00 -1.92 -1.64 103.07 105.97 1bzz h GLY 83 Ca 0.29 -0.94 -0.02 0.00 0.00 0.00 0.00 47.33 46.66 1bzz h GLY 83 CO -0.22 0.86 0.24 -0.84 0.00 0.00 0.00 176.54 176.57 1bzz h THR 84 N 0.88 1.19 -0.50 4.70 2.02 -0.14 -3.25 112.91 117.82 1bzz h THR 84 Ca 0.12 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1bzz h THR 84 Cb 0.75 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.80 1bzz h THR 84 CO 0.06 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.65 1bzz n PHE 85 N -4.62 0.66 -0.09 3.16 3.72 0.20 -4.66 117.46 115.83 1bzz n PHE 85 Ca 0.02 -0.33 -0.06 0.00 -0.05 0.00 0.00 57.45 57.03 1bzz n PHE 85 Cb 0.12 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 1bzz n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1bzz h ALA 86 N 4.26 0.20 -0.11 4.37 0.00 -1.33 0.61 119.26 127.26 1bzz h ALA 86 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1bzz h ALA 86 Cb 0.84 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1bzz h ALA 86 CO 0.00 -0.48 0.04 1.15 0.00 0.00 0.00 179.25 179.96 1bzz h THR 87 N -0.02 1.16 -0.38 0.00 2.02 -1.85 -1.99 112.91 111.85 1bzz h THR 87 Ca 0.17 -0.50 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1bzz h THR 87 Cb 0.27 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1bzz h THR 87 CO -0.36 0.15 0.16 -0.07 0.37 0.00 0.00 175.52 175.76 1bzz h LEU 88 N -0.00 0.48 -0.31 2.58 3.38 -1.80 -1.18 115.31 118.45 1bzz h LEU 88 Ca 0.04 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1bzz h LEU 88 Cb 0.20 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1bzz h LEU 88 CO -0.00 0.43 0.20 -1.28 0.09 0.00 0.00 178.44 177.88 1bzz h SER 89 N 0.53 0.37 -0.45 -0.43 0.87 0.70 -1.43 113.55 113.70 1bzz h SER 89 Ca 0.13 -0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.57 1bzz h SER 89 Cb 0.10 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 1bzz h SER 89 CO -0.01 0.30 -0.03 -0.33 -0.53 0.00 0.00 176.83 176.22 1bzz h GLU 90 N 0.41 0.89 -0.17 2.24 5.08 -1.13 -2.09 114.58 119.81 1bzz h GLU 90 Ca 0.11 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1bzz h GLU 90 Cb -0.01 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1bzz h GLU 90 CO -0.02 0.91 0.10 1.25 -1.00 0.00 0.00 179.01 180.24 1bzz h LEU 91 N 0.81 0.21 -1.40 1.33 5.85 -0.95 0.14 115.31 121.30 1bzz h LEU 91 Ca 0.15 -0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1bzz h LEU 91 Cb 0.53 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1bzz h LEU 91 CO 0.03 0.22 -0.17 0.45 -0.34 0.00 0.00 178.44 178.63 1bzz h HIS 92 N 0.18 0.19 0.03 1.25 3.86 -1.14 0.07 115.15 119.60 1bzz h HIS 92 Ca 0.06 -0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1bzz h HIS 92 Cb 0.06 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1bzz h HIS 92 CO -0.04 0.35 -0.01 0.00 0.86 0.00 0.00 177.93 179.08 1bzz h ASP 94 N -1.01 0.90 0.01 0.00 3.32 -0.76 -3.01 116.42 115.88 1bzz h ASP 94 Ca -0.00 -0.62 -0.39 0.00 0.02 0.00 0.00 57.03 56.04 1bzz h ASP 94 Cb 0.03 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 39.25 1bzz h ASP 94 CO 0.01 1.37 -2.43 0.29 -1.72 0.00 0.00 179.24 176.76 1bzz n LYS 95 N -4.00 0.66 0.05 3.56 4.76 -0.35 -4.68 118.16 118.16 1bzz n LYS 95 Ca -0.07 0.17 0.01 0.00 -2.87 0.00 0.00 58.31 55.55 1bzz n LYS 95 Cb 0.70 -1.54 -0.06 0.00 -1.84 0.00 0.00 35.03 32.30 1bzz n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bzz h LEU 96 N -0.06 0.00 -0.13 -0.35 3.38 -1.07 -3.49 115.31 113.60 1bzz h LEU 96 Ca -0.57 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.00 1bzz h LEU 96 Cb 1.89 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.75 1bzz h LEU 96 CO -0.09 0.52 -0.65 1.41 0.09 0.00 0.00 178.44 179.72 1bzz n HIS 97 N -2.93 -2.52 -3.05 1.13 8.25 -0.03 -4.96 115.22 111.11 1bzz n HIS 97 Ca -0.07 0.82 -0.41 0.00 -0.26 0.00 0.00 57.72 57.80 1bzz n HIS 97 Cb 0.80 -4.82 -0.05 0.00 1.12 0.00 0.00 29.99 27.04 1bzz n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1bzz s VAL 98 N -3.27 4.96 0.16 1.59 1.01 -0.59 -5.02 120.40 119.25 1bzz s VAL 98 Ca 0.47 1.29 -0.32 0.00 0.00 0.00 0.00 61.98 63.43 1bzz s VAL 98 Cb -0.21 -4.00 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1bzz s VAL 98 CO 0.59 0.04 1.75 -0.67 0.00 0.00 0.00 175.10 176.81 1bzz n ASP 99 N 5.45 3.88 0.14 3.32 -0.08 -1.26 -4.78 116.55 123.21 1bzz n ASP 99 Ca 0.01 1.03 0.10 0.00 -1.51 0.00 0.00 54.79 54.42 1bzz n ASP 99 Cb 0.49 -1.54 0.51 0.00 2.34 0.00 0.00 41.12 42.92 1bzz n ASP 99 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1bzz n PRO 100 N 4.62 0.14 0.28 -0.67 -0.02 -1.26 -1.19 135.00 136.91 1bzz n PRO 100 Ca 0.17 0.56 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 1bzz n PRO 100 Cb 0.35 -1.89 0.82 0.00 -0.02 0.00 0.00 33.50 32.76 1bzz n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1bzz h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -1.99 -0.23 114.58 116.41 1bzz h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1bzz h GLU 101 Cb 0.11 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1bzz h GLU 101 CO 0.00 0.01 -0.12 -0.91 -1.18 0.00 0.00 179.01 176.81 1bzz h ASN 102 N 0.00 0.00 -0.33 1.04 4.21 -1.52 -1.59 115.58 117.39 1bzz h ASN 102 Ca -0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 1bzz h ASN 102 Cb 0.02 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1bzz h ASN 102 CO 0.00 0.12 -0.21 -0.26 -1.29 0.00 0.00 177.43 175.80 1bzz h PHE 103 N 0.00 0.92 -0.40 1.19 0.04 -1.21 -1.58 116.94 115.90 1bzz h PHE 103 Ca -0.00 -0.21 -0.08 0.00 2.80 0.00 0.00 57.97 60.49 1bzz h PHE 103 Cb 0.22 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1bzz h PHE 103 CO 0.00 0.95 -0.05 0.00 -0.60 0.00 0.00 178.31 178.61 1bzz h ARG 104 N 0.71 0.74 -0.35 1.51 -0.00 -1.36 -1.81 114.38 113.82 1bzz h ARG 104 Ca 0.10 -0.26 -0.02 0.00 -0.50 0.00 0.00 59.98 59.30 1bzz h ARG 104 Cb 0.73 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.63 1bzz h ARG 104 CO 0.06 0.85 0.13 -0.07 0.00 0.00 0.00 179.97 180.93 1bzz h LEU 105 N 0.55 0.49 -0.80 3.04 3.38 -1.15 -2.35 115.31 118.46 1bzz h LEU 105 Ca 0.11 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1bzz h LEU 105 Cb 0.54 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1bzz h LEU 105 CO 0.03 0.53 0.52 0.25 0.09 0.00 0.00 178.44 179.86 1bzz h LEU 106 N 0.41 0.88 -0.63 1.67 5.85 -1.25 -0.73 115.31 121.51 1bzz h LEU 106 Ca 0.11 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.91 1bzz h LEU 106 Cb 0.20 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1bzz h LEU 106 CO -0.01 0.62 0.29 1.23 -0.34 0.00 0.00 178.44 180.23 1bzz h GLY 107 N 1.04 0.92 1.01 3.75 0.00 -1.09 0.15 103.07 108.84 1bzz h GLY 107 Ca 0.31 -0.17 -0.14 0.00 0.00 0.00 0.00 47.33 47.33 1bzz h GLY 107 CO -0.09 0.04 -0.40 3.43 0.00 0.00 0.00 176.54 179.52 1bzz h ASN 108 N 0.51 0.80 -0.79 0.19 2.35 -0.96 -2.40 115.58 115.28 1bzz h ASN 108 Ca 0.31 -0.52 -0.04 0.00 -0.55 0.00 0.00 56.30 55.50 1bzz h ASN 108 Cb 0.33 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.44 1bzz h ASN 108 CO -0.26 1.16 0.32 0.58 -1.65 0.00 0.00 177.43 177.58 1bzz h VAL 109 N 0.46 1.26 -0.73 2.81 2.07 -0.77 -2.28 116.25 119.06 1bzz h VAL 109 Ca 0.02 -0.81 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1bzz h VAL 109 Cb 0.99 0.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1bzz h VAL 109 CO 0.09 0.33 0.44 0.25 0.02 0.00 0.00 177.57 178.71 1bzz h LEU 110 N 1.15 0.70 -0.20 2.57 5.85 -0.51 -1.06 115.31 123.82 1bzz h LEU 110 Ca 0.27 0.01 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1bzz h LEU 110 Cb 0.21 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1bzz h LEU 110 CO -0.02 0.47 0.02 0.58 -0.34 0.00 0.00 178.44 179.15 1bzz h VAL 111 N 0.84 0.89 -0.83 1.05 2.07 -1.11 -0.29 116.25 118.87 1bzz h VAL 111 Ca 0.31 -0.03 0.10 0.00 0.82 0.00 0.00 66.70 67.89 1bzz h VAL 111 Cb 0.09 0.79 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 1bzz h VAL 111 CO -0.14 0.02 0.47 0.00 0.02 0.00 0.00 177.57 177.94 1bzz h VAL 113 N 0.78 1.28 -0.46 0.00 2.07 -0.60 -0.72 116.25 118.60 1bzz h VAL 113 Ca 0.40 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.57 1bzz h VAL 113 Cb 0.39 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1bzz h VAL 113 CO -0.26 0.43 0.08 -0.07 0.02 0.00 0.00 177.57 177.78 1bzz h LEU 114 N 0.60 0.73 -0.73 2.57 3.38 -0.76 0.70 115.31 121.80 1bzz h LEU 114 Ca 0.09 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1bzz h LEU 114 Cb 0.73 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1bzz h LEU 114 CO 0.05 0.80 0.48 0.00 0.09 0.00 0.00 178.44 179.86 1bzz h ALA 115 N 0.96 0.93 -0.52 1.53 0.00 -1.03 0.96 119.26 122.09 1bzz h ALA 115 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bzz h ALA 115 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1bzz h ALA 115 CO 0.01 0.36 0.15 1.25 0.00 0.00 0.00 179.25 181.02 1bzz h HIS 116 N 0.99 0.84 -0.04 0.00 -0.00 -0.82 0.50 115.15 116.62 1bzz h HIS 116 Ca 0.27 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.53 1bzz h HIS 116 Cb -0.10 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.07 1bzz h HIS 116 CO -0.02 0.73 -0.06 1.25 -0.00 0.00 0.00 177.93 179.83 1bzz h HIS 117 N 0.71 0.13 0.00 5.26 6.17 -0.61 -3.36 115.15 123.46 1bzz h HIS 117 Ca 0.17 -0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.20 1bzz h HIS 117 Cb 0.29 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1bzz h HIS 117 CO 0.02 0.61 -0.68 0.74 0.71 0.00 0.00 177.93 179.32 1bzz h PHE 118 N -0.38 0.00 0.00 5.26 0.04 -0.82 -3.50 116.94 117.54 1bzz h PHE 118 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bzz h PHE 118 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 1bzz h PHE 118 CO 0.11 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.23 1bzz n GLY 119 N 1.30 3.08 0.37 -1.45 0.00 0.17 -2.83 105.19 105.82 1bzz n GLY 119 Ca 0.03 -0.20 0.19 0.00 0.00 0.00 0.00 46.02 46.04 1bzz n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1bzz h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 0.76 116.57 120.61 1bzz h LYS 120 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1bzz h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bzz h LYS 120 CO 0.00 0.00 -0.15 0.93 -2.27 0.00 0.00 179.45 177.96 1bzz h GLU 121 N 0.00 0.00 -4.20 1.90 5.08 -1.92 -3.31 114.58 112.13 1bzz h GLU 121 Ca 0.14 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.77 1bzz h GLU 121 Cb 0.88 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.01 1bzz h GLU 121 CO -0.00 0.15 2.18 0.34 -1.00 0.00 0.00 179.01 180.68 1bzz n PHE 122 N -3.32 3.74 -1.39 4.33 7.35 0.26 -4.93 117.46 123.50 1bzz n PHE 122 Ca 0.00 -2.96 -0.30 0.00 -0.76 0.00 0.00 57.45 53.43 1bzz n PHE 122 Cb 0.38 -2.24 0.11 0.00 0.35 0.00 0.00 39.48 38.08 1bzz n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bzz s THR 123 N 1.82 2.88 0.21 -2.13 -4.23 -1.25 -4.72 115.64 108.22 1bzz s THR 123 Ca 0.44 0.29 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 1bzz s THR 123 Cb 0.07 -2.90 0.21 0.00 1.34 0.00 0.00 72.50 71.22 1bzz s THR 123 CO -0.01 -0.37 1.64 -0.65 -0.54 0.00 0.00 174.62 174.69 1bzz h PRO 124 N -1.30 0.05 -0.50 3.99 0.11 -1.93 0.62 132.00 133.04 1bzz h PRO 124 Ca -0.48 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1bzz h PRO 124 Cb 1.27 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1bzz h PRO 124 CO 0.57 0.03 0.19 -1.35 -0.21 0.00 0.00 178.00 177.24 1bzz h PRO 125 N 0.05 0.73 -0.30 1.05 0.11 -1.99 -1.26 132.00 130.39 1bzz h PRO 125 Ca 0.31 -0.11 -0.06 0.00 0.11 0.00 0.00 66.00 66.25 1bzz h PRO 125 Cb 0.49 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 1bzz h PRO 125 CO -0.58 0.61 -0.04 0.28 -0.21 0.00 0.00 178.00 178.05 1bzz h VAL 126 N 0.72 1.27 -0.40 3.15 2.07 -1.62 -2.10 116.25 119.34 1bzz h VAL 126 Ca 0.17 -1.04 0.03 0.00 0.82 0.00 0.00 66.70 66.69 1bzz h VAL 126 Cb 0.16 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1bzz h VAL 126 CO -0.02 0.33 0.20 -0.61 0.02 0.00 0.00 177.57 177.50 1bzz h GLN 127 N 0.33 0.39 -0.97 1.57 4.15 -0.61 -0.77 115.11 119.21 1bzz h GLN 127 Ca 0.08 -0.02 0.09 0.00 0.77 0.00 0.00 58.65 59.56 1bzz h GLN 127 Cb 0.50 -0.09 -0.07 0.00 0.21 0.00 0.00 27.48 28.04 1bzz h GLN 127 CO 0.02 0.26 0.62 0.00 -1.93 0.00 0.00 178.83 177.80 1bzz h ALA 128 N 1.21 1.50 -0.23 3.38 0.00 -1.12 0.38 119.26 124.38 1bzz h ALA 128 Ca 0.17 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1bzz h ALA 128 Cb 0.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1bzz h ALA 128 CO -0.12 0.32 -0.02 0.00 0.00 0.00 0.00 179.25 179.42 1bzz h ALA 129 N 1.51 0.32 -0.83 0.00 0.00 -0.80 -2.33 119.26 117.12 1bzz h ALA 129 Ca 0.44 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1bzz h ALA 129 Cb 0.31 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 1bzz h ALA 129 CO -0.19 0.07 0.46 1.88 0.00 0.00 0.00 179.25 181.46 1bzz h TYR 130 N 0.18 1.13 -0.74 0.00 0.05 -0.34 -2.20 116.97 115.06 1bzz h TYR 130 Ca 0.06 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 1bzz h TYR 130 Cb 0.45 -0.36 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1bzz h TYR 130 CO 0.04 0.78 0.36 1.96 -1.05 0.00 0.00 178.16 180.26 1bzz h GLN 131 N 1.16 1.04 -0.37 4.88 1.08 0.03 0.36 115.11 123.29 1bzz h GLN 131 Ca 0.29 -0.14 -0.10 0.00 -1.45 0.00 0.00 58.65 57.25 1bzz h GLN 131 Cb 0.02 -0.20 -0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1bzz h GLN 131 CO -0.05 0.79 -0.20 0.87 -0.95 0.00 0.00 178.83 179.30 1bzz h LYS 132 N 1.04 0.70 0.04 1.46 1.57 -0.88 -2.40 116.57 118.11 1bzz h LYS 132 Ca 0.26 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1bzz h LYS 132 Cb 0.09 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1bzz h LYS 132 CO -0.03 0.85 -0.02 0.28 -0.57 0.00 0.00 179.45 179.96 1bzz h VAL 133 N 0.62 1.19 -0.26 0.50 2.07 -0.89 -1.91 116.25 117.57 1bzz h VAL 133 Ca 0.09 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1bzz h VAL 133 Cb 0.68 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.12 1bzz h VAL 133 CO 0.05 0.19 -0.12 -0.37 0.02 0.00 0.00 177.57 177.34 1bzz h VAL 134 N -0.39 1.21 -0.65 2.57 -1.51 -0.92 -1.15 116.25 115.42 1bzz h VAL 134 Ca -0.01 -0.94 -0.08 0.00 -1.23 0.00 0.00 66.70 64.45 1bzz h VAL 134 Cb 0.35 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 30.64 1bzz h VAL 134 CO 0.01 0.30 0.11 0.00 -1.23 0.00 0.00 177.57 176.76 1bzz h ALA 135 N 1.49 0.97 -0.17 5.19 0.00 -1.42 -1.06 119.26 124.25 1bzz h ALA 135 Ca 0.08 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1bzz h ALA 135 Cb 0.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1bzz h ALA 135 CO 0.03 0.65 0.10 0.78 0.00 0.00 0.00 179.25 180.81 1bzz h GLY 136 N 1.04 0.24 0.91 0.00 0.00 -0.69 0.39 103.07 104.96 1bzz h GLY 136 Ca 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1bzz h GLY 136 CO 0.01 0.09 0.10 -2.08 0.00 0.00 0.00 176.54 174.66 1bzz h VAL 137 N 0.21 1.16 -0.63 4.60 2.07 -1.15 0.21 116.25 122.72 1bzz h VAL 137 Ca 0.06 -0.48 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1bzz h VAL 137 Cb 0.01 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1bzz h VAL 137 CO -0.01 0.16 0.39 0.00 0.02 0.00 0.00 177.57 178.12 1bzz h ALA 138 N 0.95 0.82 -0.43 1.67 0.00 -1.00 -0.11 119.26 121.14 1bzz h ALA 138 Ca 0.08 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1bzz h ALA 138 Cb 0.16 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1bzz h ALA 138 CO -0.01 0.13 0.02 -0.91 0.00 0.00 0.00 179.25 178.48 1bzz h ASN 139 N 0.76 0.73 -0.67 0.00 2.35 -0.64 -1.98 115.58 116.13 1bzz h ASN 139 Ca 0.25 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.74 1bzz h ASN 139 Cb 0.03 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 1bzz h ASN 139 CO -0.11 0.85 0.41 0.00 -1.65 0.00 0.00 177.43 176.93 1bzz h ALA 140 N 0.91 0.87 0.00 -0.83 0.00 -0.02 -2.19 119.26 118.01 1bzz h ALA 140 Ca 0.13 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1bzz h ALA 140 Cb 0.46 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1bzz h ALA 140 CO 0.02 0.17 -0.32 -0.07 0.00 0.00 0.00 179.25 179.05 1bzz h LEU 141 N 0.80 0.00 -0.05 0.00 3.38 -0.83 -3.15 115.31 115.47 1bzz h LEU 141 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1bzz h LEU 141 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1bzz h LEU 141 CO -0.11 0.32 -0.46 0.00 0.09 0.00 0.00 178.44 178.27 1bzz n ALA 142 N -2.30 3.48 -0.34 1.53 0.00 -0.76 -4.47 120.51 117.64 1bzz n ALA 142 Ca -0.01 -0.35 0.09 0.00 0.00 0.00 0.00 53.44 53.17 1bzz n ALA 142 Cb 0.45 -1.13 0.26 0.00 0.00 0.00 0.00 19.45 19.02 1bzz n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1bzz h HIS 143 N 0.11 1.04 -0.46 0.00 6.17 -1.36 -2.50 115.15 118.16 1bzz h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1bzz h HIS 143 Cb 0.50 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.11 1bzz h HIS 143 CO 0.00 0.33 0.00 1.63 0.71 0.00 0.00 177.93 180.60 1bzz n LYS 144 N -4.72 2.19 -2.33 5.26 4.76 -1.26 -4.93 118.16 117.14 1bzz n LYS 144 Ca 0.20 -1.70 -0.38 0.00 -2.87 0.00 0.00 58.31 53.55 1bzz n LYS 144 Cb 0.43 -1.41 -0.02 0.00 -1.84 0.00 0.00 35.03 32.18 1bzz n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1bzz s TYR 145 N -1.44 3.11 0.00 2.13 1.51 -0.94 -4.77 117.35 116.95 1bzz s TYR 145 Ca 0.31 1.57 0.00 0.00 -1.01 0.00 0.00 57.07 57.94 1bzz s TYR 145 Cb 0.17 -3.36 0.00 0.00 -0.11 0.00 0.00 41.96 38.66 1bzz s TYR 145 CO 0.20 -1.21 0.00 -2.39 -1.11 0.00 0.00 175.55 171.04