#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bz1 s VAL 2 N 0.00 0.03 -0.12 3.17 -7.23 -1.26 -5.09 120.40 109.90 1bz1 s VAL 2 Ca 0.00 -0.22 -0.20 0.00 -1.81 0.00 0.00 61.98 59.75 1bz1 s VAL 2 Cb 0.00 -0.81 -0.04 0.00 0.56 0.00 0.00 36.38 36.09 1bz1 s VAL 2 CO 0.00 -0.12 0.54 -0.76 -0.31 0.00 0.00 175.10 174.45 1bz1 s LEU 3 N -1.17 4.26 0.93 1.32 1.43 -1.26 -5.07 118.68 119.11 1bz1 s LEU 3 Ca -0.12 0.88 -0.14 0.00 -1.03 0.00 0.00 54.13 53.73 1bz1 s LEU 3 Cb -0.03 -2.80 0.15 0.00 0.03 0.00 0.00 46.19 43.55 1bz1 s LEU 3 CO 0.07 -0.07 1.19 -0.94 0.23 0.00 0.00 176.35 176.83 1bz1 s SER 4 N 0.77 3.41 0.33 2.29 1.04 -1.26 -4.85 113.70 115.42 1bz1 s SER 4 Ca 0.29 0.72 0.07 0.00 0.48 0.00 0.00 55.95 57.51 1bz1 s SER 4 Cb -0.16 -1.12 0.58 0.00 0.10 0.00 0.00 66.02 65.42 1bz1 s SER 4 CO 0.12 -2.59 1.79 -0.65 0.98 0.00 0.00 173.24 172.89 1bz1 h PRO 5 N -1.53 0.28 -0.57 4.02 0.11 -1.99 -1.42 132.00 130.90 1bz1 h PRO 5 Ca -0.47 -0.10 -0.11 0.00 0.11 0.00 0.00 66.00 65.43 1bz1 h PRO 5 Cb 1.31 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 1bz1 h PRO 5 CO 0.55 0.53 -0.06 0.00 -0.21 0.00 0.00 178.00 178.81 1bz1 h ALA 6 N 1.47 0.82 -0.12 -0.75 0.00 -1.99 -0.41 119.26 118.27 1bz1 h ALA 6 Ca 0.04 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1bz1 h ALA 6 Cb 0.61 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1bz1 h ALA 6 CO 0.04 0.67 0.00 -0.44 0.00 0.00 0.00 179.25 179.52 1bz1 h ASP 7 N 0.93 -0.04 -0.29 0.00 3.32 -1.66 -1.33 116.42 117.35 1bz1 h ASP 7 Ca 0.15 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 1bz1 h ASP 7 Cb 0.62 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1bz1 h ASP 7 CO 0.04 -0.00 0.18 0.11 -1.72 0.00 0.00 179.24 177.84 1bz1 h LYS 8 N 0.04 0.40 -0.31 3.56 1.57 -0.79 -1.30 116.57 119.75 1bz1 h LYS 8 Ca 0.06 -0.03 -0.13 0.00 -1.87 0.00 0.00 60.65 58.68 1bz1 h LYS 8 Cb 0.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1bz1 h LYS 8 CO -0.09 0.29 -0.33 1.15 -0.57 0.00 0.00 179.45 179.90 1bz1 h THR 9 N 0.41 1.28 -0.34 -0.16 2.02 -0.59 -1.50 112.91 114.03 1bz1 h THR 9 Ca 0.11 -1.47 -0.13 0.00 0.77 0.00 0.00 66.41 65.70 1bz1 h THR 9 Cb -0.01 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1bz1 h THR 9 CO -0.02 0.48 -0.28 0.78 0.37 0.00 0.00 175.52 176.84 1bz1 h ASN 10 N 0.58 0.83 -0.01 4.18 2.35 -0.46 -2.44 115.58 120.61 1bz1 h ASN 10 Ca 0.06 -0.45 -0.00 0.00 -0.55 0.00 0.00 56.30 55.36 1bz1 h ASN 10 Cb 0.84 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 1bz1 h ASN 10 CO 0.07 1.11 0.00 0.58 -1.65 0.00 0.00 177.43 177.55 1bz1 h VAL 11 N 0.56 1.12 -0.85 2.81 2.07 -1.18 -0.75 116.25 120.02 1bz1 h VAL 11 Ca 0.06 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1bz1 h VAL 11 Cb 0.86 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 1bz1 h VAL 11 CO 0.07 0.09 0.54 0.11 0.02 0.00 0.00 177.57 178.40 1bz1 h LYS 12 N -0.13 1.00 0.10 1.57 1.57 -1.30 0.27 116.57 119.66 1bz1 h LYS 12 Ca 0.00 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bz1 h LYS 12 Cb 0.14 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1bz1 h LYS 12 CO -0.00 0.66 -0.05 0.00 -0.57 0.00 0.00 179.45 179.49 1bz1 h ALA 13 N 1.37 -0.13 -0.29 3.86 0.00 -1.35 -1.21 119.26 121.51 1bz1 h ALA 13 Ca 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1bz1 h ALA 13 Cb 0.07 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bz1 h ALA 13 CO -0.14 -0.44 0.06 0.00 0.00 0.00 0.00 179.25 178.73 1bz1 h ALA 14 N 0.46 0.38 -0.42 0.00 0.00 -0.72 -2.77 119.26 116.19 1bz1 h ALA 14 Ca -0.01 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 1bz1 h ALA 14 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1bz1 h ALA 14 CO 0.02 0.05 0.04 2.35 0.00 0.00 0.00 179.25 181.71 1bz1 h TRP 15 N 0.30 0.68 -0.73 0.00 2.91 -0.50 -2.33 115.95 116.28 1bz1 h TRP 15 Ca 0.09 -0.07 0.04 0.00 1.13 0.00 0.00 58.89 60.08 1bz1 h TRP 15 Cb 0.31 -0.19 -0.05 0.00 -0.51 0.00 0.00 29.16 28.72 1bz1 h TRP 15 CO 0.02 0.62 0.45 0.78 -1.03 0.00 0.00 178.44 179.28 1bz1 h GLY 16 N 0.90 1.06 1.58 2.65 0.00 -1.13 -1.77 103.07 106.36 1bz1 h GLY 16 Ca 0.13 -0.33 -0.07 0.00 0.00 0.00 0.00 47.33 47.06 1bz1 h GLY 16 CO 0.01 0.25 -0.12 1.70 0.00 0.00 0.00 176.54 178.38 1bz1 h LYS 17 N 0.85 0.51 0.13 4.80 3.11 -1.14 -2.62 116.57 122.21 1bz1 h LYS 17 Ca 0.30 -0.15 0.02 0.00 -2.81 0.00 0.00 60.65 58.01 1bz1 h LYS 17 Cb 0.08 -0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 1bz1 h LYS 17 CO -0.14 0.63 -0.24 0.28 -2.81 0.00 0.00 179.45 177.17 1bz1 h VAL 18 N 0.47 0.46 0.00 2.00 2.07 -0.96 -3.44 116.25 116.85 1bz1 h VAL 18 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1bz1 h VAL 18 Cb 0.50 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1bz1 h VAL 18 CO 0.03 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.23 1bz1 n GLY 19 N -1.36 3.90 0.00 2.17 0.00 -0.77 -1.74 105.19 107.38 1bz1 n GLY 19 Ca -0.07 0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1bz1 n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bz1 n ALA 20 N 12.42 2.12 1.33 4.61 0.00 -1.26 -2.96 120.51 136.76 1bz1 n ALA 20 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 53.44 53.48 1bz1 n ALA 20 Cb 0.00 -1.39 0.43 0.00 0.00 0.00 0.00 19.45 18.49 1bz1 n ALA 20 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1bz1 n HIS 21 N -1.46 0.09 -0.19 0.00 -0.00 -0.71 -4.47 115.22 108.48 1bz1 n HIS 21 Ca 0.07 -0.05 -0.04 0.00 -0.00 0.00 0.00 57.72 57.70 1bz1 n HIS 21 Cb 0.26 0.00 0.02 0.00 -0.00 0.00 0.00 29.99 30.28 1bz1 n HIS 21 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1bz1 h ALA 22 N 4.29 0.10 -0.49 -1.41 0.00 -1.70 0.15 119.26 120.20 1bz1 h ALA 22 Ca 0.00 0.18 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1bz1 h ALA 22 Cb 0.55 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 1bz1 h ALA 22 CO 0.00 -0.59 0.12 0.78 0.00 0.00 0.00 179.25 179.56 1bz1 h GLY 23 N -0.12 0.78 1.14 0.00 0.00 -1.83 0.13 103.07 103.17 1bz1 h GLY 23 Ca 0.25 -0.43 -0.17 0.00 0.00 0.00 0.00 47.33 46.97 1bz1 h GLY 23 CO -0.64 0.41 -0.43 -2.09 0.00 0.00 0.00 176.54 173.79 1bz1 h GLU 24 N 0.71 0.93 -0.48 4.80 4.81 -1.65 -1.80 114.58 121.89 1bz1 h GLU 24 Ca 0.16 -0.52 -0.10 0.00 -0.13 0.00 0.00 59.36 58.78 1bz1 h GLU 24 Cb 0.26 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1bz1 h GLU 24 CO -0.00 1.17 -0.08 1.88 -0.73 0.00 0.00 179.01 181.24 1bz1 h TYR 25 N 0.75 0.95 -0.51 0.92 0.05 -0.38 -1.95 116.97 116.80 1bz1 h TYR 25 Ca 0.05 -0.17 0.04 0.00 0.05 0.00 0.00 58.73 58.69 1bz1 h TYR 25 Cb 1.03 -0.24 -0.04 0.00 1.01 0.00 0.00 36.73 38.49 1bz1 h TYR 25 CO 0.07 0.91 0.28 0.78 -1.05 0.00 0.00 178.16 179.14 1bz1 h GLY 26 N 0.97 0.72 1.06 3.88 0.00 -0.60 -0.43 103.07 108.68 1bz1 h GLY 26 Ca 0.13 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.17 1bz1 h GLY 26 CO 0.04 0.14 -0.01 0.00 0.00 0.00 0.00 176.54 176.71 1bz1 h ALA 27 N 1.26 0.77 -0.60 3.60 0.00 -1.14 -2.45 119.26 120.69 1bz1 h ALA 27 Ca 0.22 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1bz1 h ALA 27 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1bz1 h ALA 27 CO -0.13 0.61 0.11 1.49 0.00 0.00 0.00 179.25 181.33 1bz1 h GLU 28 N 0.90 0.98 -0.69 0.00 4.81 -1.04 -1.82 114.58 117.72 1bz1 h GLU 28 Ca 0.16 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1bz1 h GLU 28 Cb 0.56 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.78 1bz1 h GLU 28 CO 0.03 0.92 0.44 0.00 -0.73 0.00 0.00 179.01 179.67 1bz1 h ALA 29 N 1.02 0.90 -0.36 2.92 0.00 -0.98 0.14 119.26 122.90 1bz1 h ALA 29 Ca 0.18 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1bz1 h ALA 29 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1bz1 h ALA 29 CO 0.01 0.22 0.14 -0.07 0.00 0.00 0.00 179.25 179.55 1bz1 h LEU 30 N 0.86 0.50 -0.94 0.00 3.38 -1.22 -1.21 115.31 116.69 1bz1 h LEU 30 Ca 0.27 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1bz1 h LEU 30 Cb -0.01 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 1bz1 h LEU 30 CO -0.10 0.54 0.62 -0.08 0.09 0.00 0.00 178.44 179.52 1bz1 h GLU 31 N 0.43 1.23 -0.70 1.13 4.81 -0.92 -0.44 114.58 120.12 1bz1 h GLU 31 Ca 0.12 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1bz1 h GLU 31 Cb 0.20 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 1bz1 h GLU 31 CO -0.01 0.81 0.35 0.00 -0.73 0.00 0.00 179.01 179.43 1bz1 h ARG 32 N 1.26 1.00 -0.23 1.92 3.08 -0.49 -2.25 114.38 118.67 1bz1 h ARG 32 Ca 0.35 -0.14 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 1bz1 h ARG 32 Cb -0.13 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.73 1bz1 h ARG 32 CO -0.08 0.77 0.08 1.98 -1.07 0.00 0.00 179.97 181.66 1bz1 h MET 33 N 0.97 0.35 -0.42 0.04 4.05 -0.55 0.83 114.93 120.19 1bz1 h MET 33 Ca 0.24 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.59 1bz1 h MET 33 Cb 0.09 -0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.82 1bz1 h MET 33 CO -0.03 0.41 0.26 0.74 0.23 0.00 0.00 176.91 178.52 1bz1 h PHE 34 N 0.21 0.54 0.09 1.39 0.04 -0.99 0.48 116.94 118.69 1bz1 h PHE 34 Ca 0.08 0.01 -0.13 0.00 2.80 0.00 0.00 57.97 60.72 1bz1 h PHE 34 Cb 0.20 -0.18 0.02 0.00 2.20 0.00 0.00 35.95 38.19 1bz1 h PHE 34 CO -0.00 0.36 -0.58 -0.07 -0.60 0.00 0.00 178.31 177.41 1bz1 h LEU 35 N 0.57 0.36 -0.02 1.54 3.38 -1.26 -3.29 115.31 116.58 1bz1 h LEU 35 Ca 0.15 -0.94 -0.26 0.00 0.09 0.00 0.00 57.88 56.92 1bz1 h LEU 35 Cb -0.03 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 40.62 1bz1 h LEU 35 CO -0.03 1.26 -1.09 0.28 0.09 0.00 0.00 178.44 178.95 1bz1 h SER 36 N -0.50 0.66 -2.69 -0.43 0.02 -0.68 -3.40 113.55 106.54 1bz1 h SER 36 Ca -0.10 -0.58 -0.61 0.00 -0.84 0.00 0.00 61.79 59.67 1bz1 h SER 36 Cb 1.43 -0.21 -0.41 0.00 0.14 0.00 0.00 62.40 63.36 1bz1 h SER 36 CO 0.11 1.40 -0.72 0.49 -1.14 0.00 0.00 176.83 176.97 1bz1 n PHE 37 N -3.74 2.01 0.29 3.45 3.72 0.15 -4.97 117.46 118.37 1bz1 n PHE 37 Ca -0.09 -3.98 0.18 0.00 -0.05 0.00 0.00 57.45 53.50 1bz1 n PHE 37 Cb 0.92 -0.37 0.99 0.00 -0.94 0.00 0.00 39.48 40.08 1bz1 n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1bz1 h PRO 38 N 5.16 0.00 0.00 -1.08 0.13 -1.71 -1.19 132.00 133.31 1bz1 h PRO 38 Ca 0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1bz1 h PRO 38 Cb 0.79 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.92 1bz1 h PRO 38 CO 0.63 0.00 -0.00 1.79 -0.23 0.00 0.00 178.00 180.19 1bz1 h THR 39 N 0.00 0.01 0.00 1.56 1.35 -1.90 -1.45 112.91 112.48 1bz1 h THR 39 Ca 0.02 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1bz1 h THR 39 Cb 0.17 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1bz1 h THR 39 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1bz1 h THR 40 N 0.00 0.00 0.00 6.82 1.35 -1.53 -2.61 112.91 116.93 1bz1 h THR 40 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1bz1 h THR 40 Cb 0.19 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.02 1bz1 h THR 40 CO 0.00 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.38 1bz1 h LYS 41 N 0.00 0.00 0.00 4.72 1.57 -1.45 -2.70 116.57 118.71 1bz1 h LYS 41 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bz1 h LYS 41 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 1bz1 h LYS 41 CO 0.00 0.00 -0.01 1.79 -0.57 0.00 0.00 179.45 180.66 1bz1 h THR 42 N 0.00 0.18 -0.01 -0.16 1.35 -1.64 -0.94 112.91 111.69 1bz1 h THR 42 Ca 0.00 -0.12 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 1bz1 h THR 42 Cb 0.25 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 1bz1 h THR 42 CO 0.00 0.01 -0.19 -1.22 -0.25 0.00 0.00 175.52 173.87 1bz1 n TYR 43 N -3.31 0.00 -2.44 4.73 4.01 -1.02 -4.39 117.16 114.74 1bz1 n TYR 43 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1bz1 n TYR 43 Cb 0.12 -0.09 0.02 0.00 -0.31 0.00 0.00 39.34 39.08 1bz1 n TYR 43 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1bz1 n PHE 44 N -0.42 2.33 0.42 -0.72 3.01 -0.36 -4.86 117.46 116.86 1bz1 n PHE 44 Ca 0.14 -2.55 0.12 0.00 1.01 0.00 0.00 57.45 56.17 1bz1 n PHE 44 Cb 0.35 -0.25 0.49 0.00 -0.01 0.00 0.00 39.48 40.06 1bz1 n PHE 44 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1bz1 h PRO 45 N 2.53 0.00 -0.19 -1.08 0.13 -1.76 -2.79 132.00 128.83 1bz1 h PRO 45 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1bz1 h PRO 45 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1bz1 h PRO 45 CO 0.61 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.99 1bz1 n HIS 46 N -2.30 0.24 -4.18 1.56 1.44 -1.26 -4.93 115.22 105.79 1bz1 n HIS 46 Ca 0.02 -0.12 -0.30 0.00 -2.01 0.00 0.00 57.72 55.32 1bz1 n HIS 46 Cb 0.26 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.28 1bz1 n HIS 46 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1bz1 s PHE 47 N -1.76 2.85 -0.40 -1.40 0.40 -1.06 -5.06 117.98 111.55 1bz1 s PHE 47 Ca 0.34 -0.10 -0.25 0.00 -0.60 0.00 0.00 56.93 56.32 1bz1 s PHE 47 Cb 0.20 -1.47 0.02 0.00 0.51 0.00 0.00 43.02 42.28 1bz1 s PHE 47 CO 0.29 0.46 0.91 0.34 0.70 0.00 0.00 175.22 177.91 1bz1 s ASP 48 N -2.32 6.59 -0.09 1.36 2.15 -1.26 -4.90 116.67 118.21 1bz1 s ASP 48 Ca 0.24 0.37 0.16 0.00 0.43 0.00 0.00 52.55 53.74 1bz1 s ASP 48 Cb -0.11 -2.45 0.61 0.00 -0.30 0.00 0.00 42.92 40.67 1bz1 s ASP 48 CO 0.16 -0.92 1.50 0.18 -0.17 0.00 0.00 175.17 175.92 1bz1 n LEU 49 N 6.89 4.06 -4.76 -1.34 4.77 -1.26 -4.49 117.00 120.87 1bz1 n LEU 49 Ca 0.06 -2.05 -0.38 0.00 -0.03 0.00 0.00 56.01 53.61 1bz1 n LEU 49 Cb 0.48 -0.52 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1bz1 n LEU 49 CO 0.60 0.72 0.95 -0.94 -1.33 0.00 0.00 177.39 177.39 1bz1 s SER 50 N -0.85 5.57 0.09 -1.43 1.04 -1.26 -4.89 113.70 111.97 1bz1 s SER 50 Ca 0.44 2.65 -0.35 0.00 0.48 0.00 0.00 55.95 59.17 1bz1 s SER 50 Cb 0.28 -2.63 -0.14 0.00 0.10 0.00 0.00 66.02 63.63 1bz1 s SER 50 CO 0.22 -1.36 1.60 1.57 0.98 0.00 0.00 173.24 176.26 1bz1 n HIS 51 N -0.80 2.16 -0.99 5.02 -0.00 -1.26 -1.56 115.22 117.79 1bz1 n HIS 51 Ca 0.09 0.28 0.00 0.00 0.46 0.00 0.00 57.72 58.55 1bz1 n HIS 51 Cb 0.46 -2.53 0.00 0.00 -0.12 0.00 0.00 29.99 27.80 1bz1 n HIS 51 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1bz1 n GLY 52 N 3.48 0.48 3.68 1.57 0.00 -1.26 -5.02 105.19 108.12 1bz1 n GLY 52 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1bz1 n GLY 52 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bz1 n SER 53 N -0.12 2.13 0.22 1.61 3.41 -0.60 -4.80 113.62 115.48 1bz1 n SER 53 Ca 0.00 1.05 0.06 0.00 -0.26 0.00 0.00 58.87 59.72 1bz1 n SER 53 Cb 0.06 -1.47 0.51 0.00 -0.26 0.00 0.00 64.21 63.06 1bz1 n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1bz1 h ALA 54 N 1.75 1.48 -0.31 7.33 0.00 -1.90 -0.67 119.26 126.93 1bz1 h ALA 54 Ca -0.48 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 1bz1 h ALA 54 Cb 1.31 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1bz1 h ALA 54 CO 0.58 0.28 0.11 1.96 0.00 0.00 0.00 179.25 182.18 1bz1 h GLN 55 N 0.00 0.48 -0.21 0.00 4.20 -1.90 0.39 115.11 118.07 1bz1 h GLN 55 Ca -0.00 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.54 1bz1 h GLN 55 Cb 0.44 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1bz1 h GLN 55 CO 0.03 0.51 -0.13 0.28 -0.67 0.00 0.00 178.83 178.85 1bz1 h VAL 56 N 0.35 1.31 -0.36 -0.54 2.07 -1.68 0.08 116.25 117.48 1bz1 h VAL 56 Ca 0.10 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.43 1bz1 h VAL 56 Cb 0.23 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1bz1 h VAL 56 CO -0.00 0.37 0.15 0.11 0.02 0.00 0.00 177.57 178.22 1bz1 h LYS 57 N 0.15 0.31 -0.46 1.57 1.57 -1.03 0.23 116.57 118.91 1bz1 h LYS 57 Ca 0.04 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1bz1 h LYS 57 Cb 0.64 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1bz1 h LYS 57 CO 0.04 0.21 0.21 0.78 -0.57 0.00 0.00 179.45 180.12 1bz1 h GLY 58 N 0.32 0.71 1.01 3.86 0.00 -0.14 -2.16 103.07 106.66 1bz1 h GLY 58 Ca 0.16 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 1bz1 h GLY 58 CO -0.14 0.34 0.25 0.84 0.00 0.00 0.00 176.54 177.83 1bz1 h HIS 59 N 0.59 0.98 -0.97 5.60 -0.00 -0.64 -1.95 115.15 118.76 1bz1 h HIS 59 Ca 0.16 -0.08 0.10 0.00 -0.00 0.00 0.00 60.37 60.55 1bz1 h HIS 59 Cb 0.13 -0.29 -0.08 0.00 -0.00 0.00 0.00 27.41 27.17 1bz1 h HIS 59 CO -0.01 0.77 0.61 0.78 -0.00 0.00 0.00 177.93 180.08 1bz1 h GLY 60 N 0.90 1.55 0.92 5.26 0.00 -0.38 0.91 103.07 112.23 1bz1 h GLY 60 Ca 0.21 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1bz1 h GLY 60 CO -0.02 0.20 0.05 1.70 0.00 0.00 0.00 176.54 178.47 1bz1 h LYS 61 N 1.01 0.61 -0.58 4.80 1.63 -0.99 -0.85 116.57 122.20 1bz1 h LYS 61 Ca 0.46 -0.17 -0.09 0.00 -0.85 0.00 0.00 60.65 60.00 1bz1 h LYS 61 Cb 0.38 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1bz1 h LYS 61 CO -0.24 0.69 0.00 0.87 -3.45 0.00 0.00 179.45 177.32 1bz1 h LYS 62 N 0.44 1.00 -0.22 1.90 1.57 -0.58 -1.00 116.57 119.68 1bz1 h LYS 62 Ca 0.11 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.56 1bz1 h LYS 62 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1bz1 h LYS 62 CO 0.01 0.99 0.06 0.28 -0.57 0.00 0.00 179.45 180.22 1bz1 h VAL 63 N 0.92 1.20 -0.49 0.50 2.07 -0.69 -2.57 116.25 117.19 1bz1 h VAL 63 Ca 0.17 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.09 1bz1 h VAL 63 Cb 0.53 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.46 1bz1 h VAL 63 CO 0.03 0.20 0.26 0.00 0.02 0.00 0.00 177.57 178.08 1bz1 h ALA 64 N 0.88 0.62 -0.89 1.67 0.00 -0.88 -2.01 119.26 118.65 1bz1 h ALA 64 Ca 0.07 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1bz1 h ALA 64 Cb 0.25 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1bz1 h ALA 64 CO -0.00 -0.08 0.49 -0.44 0.00 0.00 0.00 179.25 179.22 1bz1 h ASP 65 N 0.50 1.11 -0.71 0.00 3.32 -1.15 0.98 116.42 120.48 1bz1 h ASP 65 Ca 0.21 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1bz1 h ASP 65 Cb 0.10 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1bz1 h ASP 65 CO -0.14 0.88 0.34 0.00 -1.72 0.00 0.00 179.24 178.60 1bz1 h ALA 66 N 1.27 0.91 -0.59 3.45 0.00 -1.03 -0.33 119.26 122.94 1bz1 h ALA 66 Ca 0.31 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1bz1 h ALA 66 Cb 0.02 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1bz1 h ALA 66 CO -0.05 0.48 0.01 -0.07 0.00 0.00 0.00 179.25 179.62 1bz1 h LEU 67 N 0.99 1.01 -0.51 0.00 4.07 -0.81 -0.61 115.31 119.46 1bz1 h LEU 67 Ca 0.24 -0.30 0.03 0.00 0.08 0.00 0.00 57.88 57.93 1bz1 h LEU 67 Cb 0.13 -0.27 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 1bz1 h LEU 67 CO -0.03 1.06 0.29 0.74 -1.08 0.00 0.00 178.44 179.43 1bz1 h THR 68 N 0.93 1.03 -0.65 0.22 2.02 -0.33 0.23 112.91 116.37 1bz1 h THR 68 Ca 0.17 -0.20 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1bz1 h THR 68 Cb 0.54 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.30 1bz1 h THR 68 CO 0.03 0.11 0.37 -1.13 0.37 0.00 0.00 175.52 175.26 1bz1 h ASN 69 N 0.58 0.56 -0.17 4.18 -1.24 -0.74 0.29 115.58 119.04 1bz1 h ASN 69 Ca 0.21 0.02 -0.14 0.00 0.71 0.00 0.00 56.30 57.10 1bz1 h ASN 69 Cb 0.05 -0.09 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1bz1 h ASN 69 CO -0.11 0.37 -0.38 0.00 -1.29 0.00 0.00 177.43 176.02 1bz1 h ALA 70 N 1.32 0.77 -0.48 1.57 0.00 -0.46 -1.83 119.26 120.15 1bz1 h ALA 70 Ca 0.28 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1bz1 h ALA 70 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1bz1 h ALA 70 CO -0.16 0.65 0.16 0.28 0.00 0.00 0.00 179.25 180.18 1bz1 h VAL 71 N 0.58 1.22 -0.50 0.00 2.07 -0.52 0.55 116.25 119.65 1bz1 h VAL 71 Ca 0.05 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.86 1bz1 h VAL 71 Cb 0.91 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 1bz1 h VAL 71 CO 0.08 0.27 0.33 0.00 0.02 0.00 0.00 177.57 178.27 1bz1 h ALA 72 N 1.01 1.72 -0.86 1.67 0.00 -0.75 -2.96 119.26 119.09 1bz1 h ALA 72 Ca 0.16 -0.03 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 1bz1 h ALA 72 Cb 0.25 -0.17 -0.43 0.00 0.00 0.00 0.00 17.79 17.45 1bz1 h ALA 72 CO -0.01 0.24 -0.83 0.72 0.00 0.00 0.00 179.25 179.36 1bz1 n HIS 73 N -4.47 2.73 0.23 0.00 -0.00 -0.71 -4.84 115.22 108.17 1bz1 n HIS 73 Ca 0.05 -2.38 0.17 0.00 -0.00 0.00 0.00 57.72 55.56 1bz1 n HIS 73 Cb 0.11 -0.29 0.86 0.00 -0.00 0.00 0.00 29.99 30.67 1bz1 n HIS 73 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1bz1 h VAL 74 N 2.52 0.44 0.00 1.59 3.04 -0.72 -0.43 116.25 122.69 1bz1 h VAL 74 Ca 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.00 1bz1 h VAL 74 Cb 1.41 0.87 0.00 0.00 -2.01 0.00 0.00 31.29 31.55 1bz1 h VAL 74 CO 0.73 0.00 -0.49 0.47 -1.01 0.00 0.00 177.57 177.26 1bz1 n ASP 75 N -3.75 0.61 -3.07 3.17 8.00 -1.26 -4.43 116.55 115.82 1bz1 n ASP 75 Ca 0.00 0.10 -0.16 0.00 0.71 0.00 0.00 54.79 55.45 1bz1 n ASP 75 Cb 0.27 0.05 -0.00 0.00 -0.02 0.00 0.00 41.12 41.41 1bz1 n ASP 75 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1bz1 n ASP 76 N -1.93 -0.09 -0.14 -2.24 2.03 -0.21 -4.99 116.55 108.98 1bz1 n ASP 76 Ca 0.04 -3.16 -0.10 0.00 0.52 0.00 0.00 54.79 52.10 1bz1 n ASP 76 Cb 0.41 0.06 -0.01 0.00 -0.72 0.00 0.00 41.12 40.86 1bz1 n ASP 76 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1bz1 h MET 77 N 3.11 0.67 -0.74 -0.67 2.86 -1.68 -1.78 114.93 116.70 1bz1 h MET 77 Ca 0.04 -0.17 0.15 0.00 -2.06 0.00 0.00 59.70 57.66 1bz1 h MET 77 Cb 1.00 -0.08 -0.10 0.00 0.06 0.00 0.00 31.60 32.47 1bz1 h MET 77 CO 0.40 0.71 0.22 -1.35 1.06 0.00 0.00 176.91 177.95 1bz1 h PRO 78 N 0.52 0.32 -0.12 -0.22 0.11 -1.94 0.66 132.00 131.33 1bz1 h PRO 78 Ca 0.12 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 66.08 1bz1 h PRO 78 Cb 0.36 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 31.40 1bz1 h PRO 78 CO 0.01 0.21 -0.47 -0.91 -0.21 0.00 0.00 178.00 176.63 1bz1 h ASN 79 N 0.32 0.62 -0.94 -2.05 4.21 -1.92 -2.66 115.58 113.16 1bz1 h ASN 79 Ca 0.41 -0.62 0.01 0.00 1.21 0.00 0.00 56.30 57.31 1bz1 h ASN 79 Cb 0.68 -0.18 -0.05 0.00 -1.12 0.00 0.00 38.32 37.65 1bz1 h ASN 79 CO -0.47 1.14 0.61 0.00 -1.29 0.00 0.00 177.43 177.42 1bz1 h ALA 80 N 0.50 1.31 -0.63 -0.83 0.00 -0.39 -2.94 119.26 116.28 1bz1 h ALA 80 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bz1 h ALA 80 Cb 1.10 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1bz1 h ALA 80 CO 0.10 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.26 1bz1 n LEU 81 N -4.38 4.28 -0.30 0.00 4.77 0.13 -4.71 117.00 116.78 1bz1 n LEU 81 Ca 0.11 -2.28 -0.05 0.00 -0.03 0.00 0.00 56.01 53.75 1bz1 n LEU 81 Cb 0.03 -0.51 -0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1bz1 n LEU 81 CO 0.37 0.86 0.57 -1.28 -1.33 0.00 0.00 177.39 176.58 1bz1 h SER 82 N 3.82 -1.52 -0.70 -1.43 0.87 -1.28 0.20 113.55 113.51 1bz1 h SER 82 Ca 0.00 0.28 0.02 0.00 -1.23 0.00 0.00 61.79 60.86 1bz1 h SER 82 Cb 1.23 0.73 -0.04 0.00 -0.44 0.00 0.00 62.40 63.88 1bz1 h SER 82 CO 0.13 -0.30 0.44 0.00 -0.53 0.00 0.00 176.83 176.58 1bz1 h ALA 83 N 0.94 0.90 -0.37 6.23 0.00 -1.84 -1.13 119.26 124.00 1bz1 h ALA 83 Ca 0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1bz1 h ALA 83 Cb 0.55 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1bz1 h ALA 83 CO -0.84 0.24 -0.19 1.25 0.00 0.00 0.00 179.25 179.71 1bz1 h LEU 84 N 0.88 0.70 -0.55 0.00 5.85 -1.57 -1.64 115.31 118.98 1bz1 h LEU 84 Ca 0.27 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1bz1 h LEU 84 Cb -0.01 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1bz1 h LEU 84 CO -0.09 0.89 0.29 -1.28 -0.34 0.00 0.00 178.44 177.91 1bz1 h SER 85 N 0.62 0.70 -0.35 1.25 0.87 -0.07 -0.94 113.55 115.63 1bz1 h SER 85 Ca 0.09 -0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.45 1bz1 h SER 85 Cb 0.67 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1bz1 h SER 85 CO 0.05 0.60 -0.17 0.44 -0.53 0.00 0.00 176.83 177.22 1bz1 h ASP 86 N 0.74 0.75 -0.43 6.23 3.32 -0.84 -2.07 116.42 124.12 1bz1 h ASP 86 Ca 0.19 -0.41 0.04 0.00 0.02 0.00 0.00 57.03 56.87 1bz1 h ASP 86 Cb 0.07 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.37 1bz1 h ASP 86 CO -0.03 0.99 0.20 0.25 -1.72 0.00 0.00 179.24 178.93 1bz1 h LEU 87 N 0.51 0.28 -0.22 1.55 5.85 -1.13 0.43 115.31 122.58 1bz1 h LEU 87 Ca 0.08 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.68 1bz1 h LEU 87 Cb 0.71 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1bz1 h LEU 87 CO 0.05 0.20 -0.42 0.45 -0.34 0.00 0.00 178.44 178.39 1bz1 h HIS 88 N 0.41 0.85 -0.28 1.25 3.86 -1.18 -0.52 115.15 119.53 1bz1 h HIS 88 Ca 0.19 -0.30 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1bz1 h HIS 88 Cb 0.11 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 1bz1 h HIS 88 CO -0.11 1.07 0.05 0.00 0.86 0.00 0.00 177.93 179.80 1bz1 h ALA 89 N 0.62 0.37 0.00 2.45 0.00 -1.11 0.25 119.26 121.84 1bz1 h ALA 89 Ca 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1bz1 h ALA 89 Cb 1.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1bz1 h ALA 89 CO 0.09 0.06 -2.06 0.72 0.00 0.00 0.00 179.25 178.06 1bz1 n HIS 90 N -4.66 0.05 -0.01 0.00 8.25 0.15 -4.56 115.22 114.44 1bz1 n HIS 90 Ca -0.03 0.01 -0.03 0.00 -0.26 0.00 0.00 57.72 57.42 1bz1 n HIS 90 Cb 0.20 -0.65 -0.01 0.00 1.12 0.00 0.00 29.99 30.66 1bz1 n HIS 90 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1bz1 n LYS 91 N -2.41 0.17 -0.06 -0.41 4.76 -0.35 -4.84 118.16 115.03 1bz1 n LYS 91 Ca -0.11 0.07 -0.11 0.00 -2.87 0.00 0.00 58.31 55.29 1bz1 n LYS 91 Cb 0.72 -0.73 -0.04 0.00 -1.84 0.00 0.00 35.03 33.14 1bz1 n LYS 91 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1bz1 h LEU 92 N -0.32 0.31 -1.61 -0.35 3.38 -1.26 -3.48 115.31 111.97 1bz1 h LEU 92 Ca 0.00 -0.19 -0.44 0.00 0.09 0.00 0.00 57.88 57.34 1bz1 h LEU 92 Cb 0.32 -0.08 0.02 0.00 0.09 0.00 0.00 40.66 41.01 1bz1 h LEU 92 CO 0.00 0.41 -0.82 0.54 0.09 0.00 0.00 178.44 178.66 1bz1 n ARG 93 N -4.79 -4.82 -2.41 1.13 1.74 0.87 -4.93 116.66 103.44 1bz1 n ARG 93 Ca -0.04 0.58 -0.42 0.00 -0.77 0.00 0.00 57.85 57.21 1bz1 n ARG 93 Cb 0.14 -5.16 -0.03 0.00 -1.02 0.00 0.00 32.46 26.39 1bz1 n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1bz1 s VAL 94 N -3.62 4.06 0.26 1.55 1.01 -1.26 -4.97 120.40 117.44 1bz1 s VAL 94 Ca 0.16 1.45 -0.31 0.00 0.00 0.00 0.00 61.98 63.28 1bz1 s VAL 94 Cb -0.08 -3.93 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 1bz1 s VAL 94 CO 0.83 0.06 1.45 -0.67 0.00 0.00 0.00 175.10 176.77 1bz1 n ASP 95 N 4.57 3.06 0.08 3.32 -0.08 -1.26 -4.83 116.55 121.40 1bz1 n ASP 95 Ca 0.10 1.15 0.21 0.00 -1.51 0.00 0.00 54.79 54.74 1bz1 n ASP 95 Cb 0.46 -1.48 0.74 0.00 2.34 0.00 0.00 41.12 43.18 1bz1 n ASP 95 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1bz1 h PRO 96 N 4.25 0.00 -0.39 -0.67 0.11 -2.00 -2.16 132.00 131.15 1bz1 h PRO 96 Ca -0.46 0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.68 1bz1 h PRO 96 Cb 1.26 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1bz1 h PRO 96 CO 0.76 0.00 0.26 0.28 -0.21 0.00 0.00 178.00 179.09 1bz1 h VAL 97 N 0.00 1.03 0.00 3.15 2.07 -2.04 -2.53 116.25 117.94 1bz1 h VAL 97 Ca 0.21 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1bz1 h VAL 97 Cb 1.13 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.47 1bz1 h VAL 97 CO -0.00 0.08 -0.15 0.78 0.02 0.00 0.00 177.57 178.29 1bz1 h ASN 98 N 0.42 0.00 -0.54 0.57 4.21 -1.75 -2.79 115.58 115.71 1bz1 h ASN 98 Ca 0.16 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.64 1bz1 h ASN 98 Cb 0.10 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.28 1bz1 h ASN 98 CO -0.04 0.15 0.26 -0.26 -1.29 0.00 0.00 177.43 176.25 1bz1 h PHE 99 N 0.00 0.80 -0.11 1.19 -1.00 -1.63 -1.96 116.94 114.24 1bz1 h PHE 99 Ca -0.00 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.66 1bz1 h PHE 99 Cb 0.41 -0.25 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1bz1 h PHE 99 CO 0.00 0.60 -0.32 1.57 -1.61 0.00 0.00 178.31 178.56 1bz1 h LYS 100 N 0.81 0.20 -0.10 1.51 5.09 -1.65 -0.36 116.57 122.07 1bz1 h LYS 100 Ca 0.20 -0.08 -0.10 0.00 0.09 0.00 0.00 60.65 60.76 1bz1 h LYS 100 Cb 0.11 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.43 1bz1 h LYS 100 CO -0.02 0.50 -0.32 -0.07 -2.09 0.00 0.00 179.45 177.45 1bz1 h LEU 101 N 0.18 0.46 -0.38 7.07 3.38 -1.45 -2.06 115.31 122.52 1bz1 h LEU 101 Ca 0.02 -0.61 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 1bz1 h LEU 101 Cb 0.65 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1bz1 h LEU 101 CO 0.05 0.99 0.20 0.25 0.09 0.00 0.00 178.44 180.01 1bz1 h LEU 102 N -0.04 0.48 -0.65 1.67 6.46 -1.31 -1.92 115.31 119.99 1bz1 h LEU 102 Ca -0.01 -0.10 0.10 0.00 -0.12 0.00 0.00 57.88 57.75 1bz1 h LEU 102 Cb 0.94 -0.12 -0.08 0.00 -0.73 0.00 0.00 40.66 40.68 1bz1 h LEU 102 CO 0.07 0.44 0.26 0.28 -0.62 0.00 0.00 178.44 178.87 1bz1 h SER 103 N 0.48 0.28 -0.26 1.25 0.02 -1.01 0.78 113.55 115.09 1bz1 h SER 103 Ca 0.13 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1bz1 h SER 103 Cb 0.07 0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1bz1 h SER 103 CO -0.02 0.16 0.12 -0.74 -1.14 0.00 0.00 176.83 175.20 1bz1 h HIS 104 N 0.45 0.21 -0.02 3.45 -0.00 -1.18 -0.70 115.15 117.37 1bz1 h HIS 104 Ca 0.33 0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.63 1bz1 h HIS 104 Cb 0.41 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.75 1bz1 h HIS 104 CO -0.16 0.11 -0.39 0.00 -0.00 0.00 0.00 177.93 177.50 1bz1 h LEU 106 N 0.03 0.82 -0.63 0.00 5.85 -0.52 -1.99 115.31 118.87 1bz1 h LEU 106 Ca -0.00 -0.39 -0.03 0.00 0.84 0.00 0.00 57.88 58.30 1bz1 h LEU 106 Cb 0.70 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.47 1bz1 h LEU 106 CO 0.05 1.03 0.28 0.25 -0.34 0.00 0.00 178.44 179.72 1bz1 h LEU 107 N 0.61 0.85 -0.74 2.25 5.85 -0.60 -1.43 115.31 122.09 1bz1 h LEU 107 Ca 0.09 -0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1bz1 h LEU 107 Cb 0.71 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1bz1 h LEU 107 CO 0.05 0.76 0.40 0.58 -0.34 0.00 0.00 178.44 179.89 1bz1 h VAL 108 N 0.87 1.23 -0.08 1.05 2.07 -1.15 -0.17 116.25 120.07 1bz1 h VAL 108 Ca 0.21 -0.57 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 1bz1 h VAL 108 Cb 0.16 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1bz1 h VAL 108 CO -0.02 0.25 0.03 0.74 0.02 0.00 0.00 177.57 178.59 1bz1 h THR 109 N 1.02 1.15 -0.55 2.57 2.02 -1.03 -1.11 112.91 116.98 1bz1 h THR 109 Ca 0.26 -0.46 0.03 0.00 0.77 0.00 0.00 66.41 67.01 1bz1 h THR 109 Cb 0.05 1.32 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 1bz1 h THR 109 CO -0.04 0.13 0.33 -0.07 0.37 0.00 0.00 175.52 176.24 1bz1 h LEU 110 N -0.05 0.52 -0.43 2.58 4.07 -1.15 -2.00 115.31 118.86 1bz1 h LEU 110 Ca 0.03 0.01 0.06 0.00 0.08 0.00 0.00 57.88 58.05 1bz1 h LEU 110 Cb 0.18 -0.10 -0.05 0.00 1.08 0.00 0.00 40.66 41.77 1bz1 h LEU 110 CO -0.00 0.36 0.13 0.00 -1.08 0.00 0.00 178.44 177.85 1bz1 h ALA 111 N 1.25 0.50 0.00 1.53 0.00 -0.77 0.18 119.26 121.96 1bz1 h ALA 111 Ca 0.23 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1bz1 h ALA 111 Cb 0.05 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bz1 h ALA 111 CO -0.11 -0.26 -0.15 0.00 0.00 0.00 0.00 179.25 178.73 1bz1 h ALA 112 N 1.29 1.29 0.00 0.00 0.00 -0.73 -3.26 119.26 117.85 1bz1 h ALA 112 Ca 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bz1 h ALA 112 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1bz1 h ALA 112 CO -0.22 0.19 -1.57 0.72 0.00 0.00 0.00 179.25 178.37 1bz1 n HIS 113 N -3.69 0.00 -3.36 0.00 -0.00 -0.80 -4.76 115.22 102.62 1bz1 n HIS 113 Ca -0.02 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.40 1bz1 n HIS 113 Cb 0.27 -0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 29.90 1bz1 n HIS 113 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1bz1 n LEU 114 N -1.94 4.33 -0.12 2.41 4.77 0.59 -4.92 117.00 122.12 1bz1 n LEU 114 Ca -0.02 -5.38 -0.06 0.00 -0.03 0.00 0.00 56.01 50.52 1bz1 n LEU 114 Cb 0.35 -0.82 0.03 0.00 -2.33 0.00 0.00 43.42 40.65 1bz1 n LEU 114 CO 0.29 1.96 0.95 1.55 -1.33 0.00 0.00 177.39 180.80 1bz1 h PRO 115 N 4.54 0.29 -0.20 3.23 0.13 -1.84 -2.39 132.00 135.76 1bz1 h PRO 115 Ca 0.20 -0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1bz1 h PRO 115 Cb 0.66 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 1bz1 h PRO 115 CO 0.94 0.19 -0.52 0.00 -0.23 0.00 0.00 178.00 178.39 1bz1 h ALA 116 N 1.25 0.72 0.00 -0.56 0.00 -1.95 -3.34 119.26 115.38 1bz1 h ALA 116 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1bz1 h ALA 116 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bz1 h ALA 116 CO -0.18 0.68 -0.90 0.93 0.00 0.00 0.00 179.25 179.78 1bz1 h GLU 117 N 0.44 0.00 -3.00 0.00 3.07 -1.94 -3.42 114.58 109.74 1bz1 h GLU 117 Ca 0.02 0.00 -0.69 0.00 -0.50 0.00 0.00 59.36 58.18 1bz1 h GLU 117 Cb 1.05 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.95 1bz1 h GLU 117 CO 0.10 0.00 3.45 0.34 -1.40 0.00 0.00 179.01 181.50 1bz1 n PHE 118 N -2.47 2.56 -1.94 4.33 7.35 -0.91 -4.76 117.46 121.61 1bz1 n PHE 118 Ca 0.01 -3.02 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1bz1 n PHE 118 Cb 0.51 -2.34 0.08 0.00 0.35 0.00 0.00 39.48 38.08 1bz1 n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1bz1 s THR 119 N 1.47 2.19 0.21 -2.13 -4.23 -1.26 -4.77 115.64 107.11 1bz1 s THR 119 Ca 0.64 0.01 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1bz1 s THR 119 Cb 0.18 -3.05 0.15 0.00 1.34 0.00 0.00 72.50 71.11 1bz1 s THR 119 CO -0.07 -0.06 1.79 -0.65 -0.54 0.00 0.00 174.62 175.09 1bz1 h PRO 120 N -0.96 0.60 -0.58 3.99 0.11 -1.99 0.15 132.00 133.32 1bz1 h PRO 120 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1bz1 h PRO 120 Cb 1.32 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1bz1 h PRO 120 CO 0.65 0.40 0.15 0.00 -0.21 0.00 0.00 178.00 178.99 1bz1 h ALA 121 N 1.37 0.77 -0.28 -0.75 0.00 -1.96 0.02 119.26 118.42 1bz1 h ALA 121 Ca 0.31 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1bz1 h ALA 121 Cb 0.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1bz1 h ALA 121 CO -0.21 0.47 -0.17 0.28 0.00 0.00 0.00 179.25 179.61 1bz1 h VAL 122 N 0.84 1.30 -0.42 0.00 2.07 -1.72 -1.35 116.25 116.97 1bz1 h VAL 122 Ca 0.18 -1.28 0.08 0.00 0.82 0.00 0.00 66.70 66.50 1bz1 h VAL 122 Cb 0.34 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.55 1bz1 h VAL 122 CO 0.00 0.41 -0.10 -0.74 0.02 0.00 0.00 177.57 177.16 1bz1 h HIS 123 N 0.35 -0.21 -0.65 1.57 6.17 -0.53 0.33 115.15 122.18 1bz1 h HIS 123 Ca 0.06 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.18 1bz1 h HIS 123 Cb 0.70 0.16 -0.03 0.00 2.52 0.00 0.00 27.41 30.76 1bz1 h HIS 123 CO 0.06 -0.18 0.41 0.00 0.71 0.00 0.00 177.93 178.93 1bz1 h ALA 124 N 1.41 0.82 -0.52 5.26 0.00 -0.76 -1.48 119.26 124.00 1bz1 h ALA 124 Ca 0.20 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1bz1 h ALA 124 Cb 0.30 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1bz1 h ALA 124 CO -0.43 0.28 0.11 0.77 0.00 0.00 0.00 179.25 179.98 1bz1 h SER 125 N 0.88 0.80 -0.72 0.00 0.02 -0.20 -2.22 113.55 112.11 1bz1 h SER 125 Ca 0.23 -0.25 -0.06 0.00 -0.84 0.00 0.00 61.79 60.88 1bz1 h SER 125 Cb -0.05 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 1bz1 h SER 125 CO -0.05 0.84 0.22 -0.07 -1.14 0.00 0.00 176.83 176.64 1bz1 h LEU 126 N 0.73 1.07 -0.36 5.07 3.38 -0.21 0.71 115.31 125.70 1bz1 h LEU 126 Ca 0.16 -0.20 0.01 0.00 0.09 0.00 0.00 57.88 57.94 1bz1 h LEU 126 Cb 0.37 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1bz1 h LEU 126 CO 0.01 0.99 0.22 -0.78 0.09 0.00 0.00 178.44 178.97 1bz1 h ASP 127 N 1.09 0.37 -0.58 -0.43 3.58 -1.09 0.74 116.42 120.10 1bz1 h ASP 127 Ca 0.24 -0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.64 1bz1 h ASP 127 Cb 0.31 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1bz1 h ASP 127 CO -0.01 0.27 0.18 0.11 -2.88 0.00 0.00 179.24 176.90 1bz1 h LYS 128 N 0.45 0.91 -0.18 0.28 1.57 -1.22 -1.27 116.57 117.11 1bz1 h LYS 128 Ca 0.14 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bz1 h LYS 128 Cb -0.02 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1bz1 h LYS 128 CO -0.05 0.82 0.11 0.35 -0.57 0.00 0.00 179.45 180.10 1bz1 h PHE 129 N 0.82 0.24 -0.82 -1.35 3.57 -0.22 -1.33 116.94 117.86 1bz1 h PHE 129 Ca 0.19 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.69 1bz1 h PHE 129 Cb 0.29 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.92 1bz1 h PHE 129 CO 0.02 0.20 0.54 -0.07 -2.23 0.00 0.00 178.31 176.77 1bz1 h LEU 130 N 0.21 0.95 -0.80 0.59 3.38 -0.71 -0.42 115.31 118.50 1bz1 h LEU 130 Ca 0.06 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 1bz1 h LEU 130 Cb 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1bz1 h LEU 130 CO -0.01 0.69 0.08 0.00 0.09 0.00 0.00 178.44 179.29 1bz1 h ALA 131 N 1.48 1.01 -0.29 1.53 0.00 -0.87 -1.01 119.26 121.11 1bz1 h ALA 131 Ca 0.30 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1bz1 h ALA 131 Cb -0.12 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1bz1 h ALA 131 CO -0.06 0.63 -0.09 0.77 0.00 0.00 0.00 179.25 180.49 1bz1 h SER 132 N 0.92 0.58 -0.27 0.00 0.02 -0.27 -0.20 113.55 114.34 1bz1 h SER 132 Ca 0.18 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 1bz1 h SER 132 Cb 0.42 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1bz1 h SER 132 CO 0.01 0.83 0.16 0.58 -1.14 0.00 0.00 176.83 177.27 1bz1 h VAL 133 N 0.33 1.10 -0.59 2.27 2.07 -0.98 -0.39 116.25 120.07 1bz1 h VAL 133 Ca 0.07 -0.24 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1bz1 h VAL 133 Cb 0.58 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1bz1 h VAL 133 CO 0.03 0.10 0.28 0.28 0.02 0.00 0.00 177.57 178.28 1bz1 h SER 134 N 0.34 0.36 -0.65 0.57 0.02 -1.01 0.11 113.55 113.29 1bz1 h SER 134 Ca 0.10 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1bz1 h SER 134 Cb 0.02 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 1bz1 h SER 134 CO -0.02 0.23 0.29 0.74 -1.14 0.00 0.00 176.83 176.93 1bz1 h THR 135 N 0.51 1.23 -0.36 -2.27 2.02 -0.60 -2.15 112.91 111.29 1bz1 h THR 135 Ca 0.28 -0.68 -0.04 0.00 0.77 0.00 0.00 66.41 66.74 1bz1 h THR 135 Cb 0.26 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1bz1 h THR 135 CO -0.23 0.27 0.05 0.58 0.37 0.00 0.00 175.52 176.57 1bz1 h VAL 136 N 0.90 1.24 0.00 3.16 2.07 -0.43 -1.90 116.25 121.30 1bz1 h VAL 136 Ca 0.22 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1bz1 h VAL 136 Cb 0.16 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1bz1 h VAL 136 CO -0.02 0.29 -0.08 -0.07 0.02 0.00 0.00 177.57 177.70 1bz1 h LEU 137 N 0.44 0.00 -2.40 2.57 3.38 -0.48 -2.63 115.31 116.19 1bz1 h LEU 137 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1bz1 h LEU 137 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1bz1 h LEU 137 CO 0.01 0.08 0.00 0.35 0.09 0.00 0.00 178.44 178.97 1bz1 n THR 138 N -3.73 0.65 0.28 0.22 -2.24 -0.84 -4.47 114.28 104.15 1bz1 n THR 138 Ca -0.02 -0.82 0.17 0.00 -2.27 0.00 0.00 64.05 61.11 1bz1 n THR 138 Cb 0.18 0.80 0.71 0.00 -2.10 0.00 0.00 70.33 69.92 1bz1 n THR 138 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1bz1 h SER 139 N 3.05 0.00 -0.51 3.42 4.64 -0.95 -2.97 113.55 120.23 1bz1 h SER 139 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bz1 h SER 139 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1bz1 h SER 139 CO 0.00 0.01 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1bz1 n LYS 140 N -3.10 3.21 -0.29 4.77 5.02 -1.26 -4.64 118.16 121.86 1bz1 n LYS 140 Ca 0.00 -2.60 0.04 0.00 -2.02 0.00 0.00 58.31 53.73 1bz1 n LYS 140 Cb 0.30 -1.65 0.24 0.00 -0.02 0.00 0.00 35.03 33.90 1bz1 n LYS 140 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1bz1 h TYR 141 N 3.14 1.03 0.00 2.13 -1.99 -1.84 -3.47 116.97 115.97 1bz1 h TYR 141 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1bz1 h TYR 141 Cb 1.17 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 39.56 1bz1 h TYR 141 CO 0.52 0.56 0.00 2.89 -0.00 0.00 0.00 178.16 182.13