#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cbl s HIS 2 N 0.00 3.42 -0.11 3.52 5.65 -1.26 -4.94 115.29 121.58 1cbl s HIS 2 Ca 0.00 -1.88 0.02 0.00 0.25 0.00 0.00 55.06 53.45 1cbl s HIS 2 Cb 0.00 -3.11 -0.01 0.00 -1.18 0.00 0.00 32.58 28.28 1cbl s HIS 2 CO 0.00 -0.92 -0.19 -1.17 -0.65 0.00 0.00 174.74 171.82 1cbl s LEU 3 N 1.32 2.41 0.51 8.88 2.96 -1.26 -5.09 118.68 128.41 1cbl s LEU 3 Ca 0.04 -0.43 -0.18 0.00 -0.22 0.00 0.00 54.13 53.35 1cbl s LEU 3 Cb -0.24 -1.51 -0.08 0.00 0.50 0.00 0.00 46.19 44.87 1cbl s LEU 3 CO -0.01 0.18 1.00 0.42 -1.32 0.00 0.00 176.35 176.63 1cbl s THR 4 N 0.22 4.25 0.49 3.68 -4.23 -1.26 -4.73 115.64 114.07 1cbl s THR 4 Ca -0.12 1.19 0.19 0.00 -1.18 0.00 0.00 61.69 61.77 1cbl s THR 4 Cb -0.16 -3.59 0.34 0.00 1.34 0.00 0.00 72.50 70.43 1cbl s THR 4 CO 0.06 -0.51 2.03 -0.65 -0.54 0.00 0.00 174.62 175.01 1cbl h PRO 5 N 1.12 0.14 -0.65 3.99 0.11 -1.99 1.48 132.00 136.19 1cbl h PRO 5 Ca -0.48 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1cbl h PRO 5 Cb 1.20 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1cbl h PRO 5 CO 0.60 0.09 0.07 1.49 -0.21 0.00 0.00 178.00 180.04 1cbl h GLU 6 N 0.14 1.10 -0.04 1.05 4.22 -1.99 -0.45 114.58 118.62 1cbl h GLU 6 Ca 0.20 -0.32 -0.09 0.00 0.08 0.00 0.00 59.36 59.23 1cbl h GLU 6 Cb 0.61 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.75 1cbl h GLU 6 CO -0.03 1.03 -0.34 0.93 -2.18 0.00 0.00 179.01 178.42 1cbl h GLU 7 N 1.02 0.30 -0.70 1.92 5.08 0.21 -2.47 114.58 119.95 1cbl h GLU 7 Ca 0.19 -0.27 0.10 0.00 -1.00 0.00 0.00 59.36 58.39 1cbl h GLU 7 Cb 0.49 0.07 -0.08 0.00 0.50 0.00 0.00 28.75 29.73 1cbl h GLU 7 CO 0.02 0.94 0.32 -0.22 -1.00 0.00 0.00 179.01 179.07 1cbl h LYS 8 N -0.25 0.51 -0.58 2.33 3.64 0.18 -2.25 116.57 120.15 1cbl h LYS 8 Ca -0.03 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.25 1cbl h LYS 8 Cb 1.03 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.72 1cbl h LYS 8 CO 0.07 0.34 0.12 0.66 -2.27 0.00 0.00 179.45 178.36 1cbl h SER 9 N 0.53 0.90 0.42 4.20 4.64 -1.10 -1.53 113.55 121.60 1cbl h SER 9 Ca 0.36 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.32 1cbl h SER 9 Cb 0.43 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.27 1cbl h SER 9 CO -0.31 0.92 -0.47 0.00 -0.87 0.00 0.00 176.83 176.10 1cbl h ALA 10 N 1.02 1.16 0.05 5.18 0.00 -0.94 0.25 119.26 125.98 1cbl h ALA 10 Ca 0.18 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1cbl h ALA 10 Cb 0.38 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1cbl h ALA 10 CO 0.01 0.61 -0.03 0.28 0.00 0.00 0.00 179.25 180.12 1cbl h VAL 11 N 0.06 1.29 0.52 0.00 2.07 -1.34 -2.83 116.25 116.03 1cbl h VAL 11 Ca 0.00 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.03 1cbl h VAL 11 Cb 0.86 2.21 -0.00 0.00 -1.52 0.00 0.00 31.29 32.84 1cbl h VAL 11 CO 0.06 0.35 -0.29 0.74 0.02 0.00 0.00 177.57 178.45 1cbl h THR 12 N -0.76 0.40 -0.33 2.57 2.02 -1.20 0.35 112.91 115.95 1cbl h THR 12 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.24 1cbl h THR 12 Cb 0.63 0.40 -0.08 0.00 -1.74 0.00 0.00 68.15 67.35 1cbl h THR 12 CO 0.01 0.00 -0.37 0.00 0.37 0.00 0.00 175.52 175.53 1cbl h ALA 13 N -0.31 -0.35 -0.63 6.16 0.00 -0.62 -1.75 119.26 121.77 1cbl h ALA 13 Ca -0.06 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1cbl h ALA 13 Cb 0.61 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1cbl h ALA 13 CO 0.08 -0.81 0.05 1.25 0.00 0.00 0.00 179.25 179.83 1cbl h LEU 14 N -0.33 1.02 -2.21 0.00 5.85 -1.31 -1.92 115.31 116.41 1cbl h LEU 14 Ca 0.14 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1cbl h LEU 14 Cb 0.57 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 1cbl h LEU 14 CO -0.51 1.04 -0.05 -0.25 -0.34 0.00 0.00 178.44 178.33 1cbl h TRP 15 N 0.98 0.00 0.00 1.25 2.91 -0.52 0.31 115.95 120.88 1cbl h TRP 15 Ca 0.19 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1cbl h TRP 15 Cb 0.49 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.14 1cbl h TRP 15 CO 0.03 0.05 -0.03 0.78 -1.03 0.00 0.00 178.44 178.24 1cbl h GLY 16 N 0.27 0.00 -2.46 2.65 0.00 -0.49 -1.65 103.07 101.39 1cbl h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1cbl h GLY 16 CO 0.01 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.83 1cbl n LYS 17 N -4.03 2.62 -2.69 4.80 5.02 0.11 -4.93 118.16 119.05 1cbl n LYS 17 Ca -0.03 -2.47 -0.36 0.00 -2.02 0.00 0.00 58.31 53.43 1cbl n LYS 17 Cb 0.11 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 1cbl n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1cbl s VAL 18 N -1.21 4.04 -1.13 -0.18 1.01 -0.62 -4.97 120.40 117.34 1cbl s VAL 18 Ca 0.43 1.56 -0.09 0.00 0.00 0.00 0.00 61.98 63.89 1cbl s VAL 18 Cb 0.24 -3.81 0.27 0.00 0.00 0.00 0.00 36.38 33.08 1cbl s VAL 18 CO 0.32 0.01 1.17 -3.20 0.00 0.00 0.00 175.10 173.39 1cbl n ASN 19 N 0.11 5.55 -0.35 3.32 5.15 -1.26 -4.94 115.26 122.84 1cbl n ASN 19 Ca 0.04 -3.05 -0.05 0.00 -0.60 0.00 0.00 54.58 50.91 1cbl n ASN 19 Cb 0.51 -1.39 -0.01 0.00 -0.53 0.00 0.00 39.78 38.35 1cbl n ASN 19 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1cbl h VAL 20 N 3.70 0.03 -0.01 3.44 -1.51 -1.93 0.70 116.25 120.67 1cbl h VAL 20 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.66 1cbl h VAL 20 Cb 0.86 0.03 -0.00 0.00 -2.13 0.00 0.00 31.29 30.04 1cbl h VAL 20 CO 1.06 0.00 -0.01 0.47 -1.23 0.00 0.00 177.57 177.86 1cbl n ASP 21 N -5.40 -0.01 0.11 4.19 8.00 -1.26 0.39 116.55 122.56 1cbl n ASP 21 Ca 0.06 0.88 -0.13 0.00 0.71 0.00 0.00 54.79 56.31 1cbl n ASP 21 Cb 0.35 -0.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.96 1cbl n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1cbl h GLU 22 N 0.00 -0.28 -0.65 -1.24 4.81 -1.72 -2.45 114.58 113.04 1cbl h GLU 22 Ca 0.00 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1cbl h GLU 22 Cb 0.01 0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 1cbl h GLU 22 CO -0.01 -0.19 0.43 0.28 -0.73 0.00 0.00 179.01 178.79 1cbl h VAL 23 N -0.29 1.10 -0.20 0.32 2.07 -0.48 -1.42 116.25 117.35 1cbl h VAL 23 Ca 0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.28 1cbl h VAL 23 Cb 0.29 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1cbl h VAL 23 CO -0.05 0.14 0.07 1.23 0.02 0.00 0.00 177.57 178.99 1cbl h GLY 24 N 0.79 0.24 1.62 2.17 0.00 0.39 -0.12 103.07 108.17 1cbl h GLY 24 Ca 0.26 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 1cbl h GLY 24 CO -0.07 0.03 -0.32 -1.33 0.00 0.00 0.00 176.54 174.85 1cbl h GLY 25 N 0.16 0.47 0.57 4.60 0.00 -1.14 -2.13 103.07 105.62 1cbl h GLY 25 Ca 0.08 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1cbl h GLY 25 CO -0.09 0.38 -0.09 -2.09 0.00 0.00 0.00 176.54 174.65 1cbl h GLU 26 N 0.38 -0.25 -0.06 4.80 4.57 -0.96 -1.99 114.58 121.07 1cbl h GLU 26 Ca 0.05 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1cbl h GLU 26 Cb 0.74 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 1cbl h GLU 26 CO 0.06 0.13 0.03 0.00 -1.18 0.00 0.00 179.01 178.04 1cbl h ALA 27 N -0.01 0.07 -0.44 2.92 0.00 -1.01 -1.80 119.26 118.99 1cbl h ALA 27 Ca -0.03 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1cbl h ALA 27 Cb 0.49 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1cbl h ALA 27 CO 0.04 -0.44 0.23 1.25 0.00 0.00 0.00 179.25 180.33 1cbl h LEU 28 N 0.07 0.56 -0.53 0.00 5.85 -1.46 -1.99 115.31 117.82 1cbl h LEU 28 Ca 0.02 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.65 1cbl h LEU 28 Cb -0.00 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 1cbl h LEU 28 CO -0.01 0.51 0.33 1.23 -0.34 0.00 0.00 178.44 180.16 1cbl h GLY 29 N 0.57 0.75 1.52 3.75 0.00 -1.25 -2.72 103.07 105.70 1cbl h GLY 29 Ca 0.15 -0.25 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 1cbl h GLY 29 CO -0.02 0.22 -0.02 3.21 0.00 0.00 0.00 176.54 179.93 1cbl h ARG 30 N 0.65 0.59 -0.09 4.80 3.08 -1.22 -2.25 114.38 119.94 1cbl h ARG 30 Ca 0.21 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 1cbl h ARG 30 Cb -0.01 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 1cbl h ARG 30 CO -0.08 0.63 0.06 1.25 -1.07 0.00 0.00 179.97 180.76 1cbl h LEU 31 N 0.56 0.11 -1.22 3.04 5.85 -1.06 0.23 115.31 122.82 1cbl h LEU 31 Ca 0.11 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1cbl h LEU 31 Cb 0.39 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1cbl h LEU 31 CO 0.02 0.11 -0.21 -0.07 -0.34 0.00 0.00 178.44 177.94 1cbl h LEU 32 N 0.10 0.27 0.07 2.25 3.38 -1.26 0.19 115.31 120.31 1cbl h LEU 32 Ca 0.03 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1cbl h LEU 32 Cb 0.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1cbl h LEU 32 CO -0.01 0.50 -0.03 0.58 0.09 0.00 0.00 178.44 179.57 1cbl h VAL 33 N 0.25 1.21 -0.17 1.22 2.07 -1.22 -3.29 116.25 116.33 1cbl h VAL 33 Ca 0.04 -1.45 -0.20 0.00 0.82 0.00 0.00 66.70 65.91 1cbl h VAL 33 Cb 0.52 2.08 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1cbl h VAL 33 CO 0.03 0.33 -0.71 0.58 0.02 0.00 0.00 177.57 177.83 1cbl h VAL 34 N -0.80 1.30 -2.66 2.57 2.07 -0.87 -3.37 116.25 114.47 1cbl h VAL 34 Ca -0.01 -1.95 -0.61 0.00 0.82 0.00 0.00 66.70 64.96 1cbl h VAL 34 Cb 0.62 1.93 -0.41 0.00 -1.52 0.00 0.00 31.29 31.90 1cbl h VAL 34 CO 0.02 0.61 -0.69 -1.22 0.02 0.00 0.00 177.57 176.31 1cbl n TYR 35 N -3.93 2.29 0.27 1.57 4.01 0.66 -4.99 117.16 117.05 1cbl n TYR 35 Ca -0.06 -4.03 0.18 0.00 -0.16 0.00 0.00 57.90 53.82 1cbl n TYR 35 Cb 0.71 -0.43 0.93 0.00 -0.31 0.00 0.00 39.34 40.24 1cbl n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1cbl h PRO 36 N 5.04 0.00 0.00 -0.72 0.13 -1.74 -0.53 132.00 134.18 1cbl h PRO 36 Ca 0.18 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.30 1cbl h PRO 36 Cb 0.77 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.90 1cbl h PRO 36 CO 0.66 0.00 -0.03 0.11 -0.23 0.00 0.00 178.00 178.51 1cbl h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -1.88 115.95 113.80 1cbl h TRP 37 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.02 1cbl h TRP 37 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.52 1cbl h TRP 37 CO 0.00 0.03 0.00 0.25 0.09 0.00 0.00 178.44 178.81 1cbl n THR 38 N -3.17 0.91 0.25 0.12 -2.24 -0.21 -2.27 114.28 107.67 1cbl n THR 38 Ca -0.01 0.26 0.10 0.00 -2.27 0.00 0.00 64.05 62.14 1cbl n THR 38 Cb 0.24 -1.15 0.64 0.00 -2.10 0.00 0.00 70.33 67.96 1cbl n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1cbl h GLN 39 N 0.00 0.00 -0.70 -0.78 4.20 -1.53 -2.62 115.11 113.69 1cbl h GLN 39 Ca 0.00 0.00 0.15 0.00 0.06 0.00 0.00 58.65 58.86 1cbl h GLN 39 Cb 0.31 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 1cbl h GLN 39 CO 0.00 0.15 0.47 -0.09 -0.67 0.00 0.00 178.83 178.69 1cbl h ARG 40 N 0.00 0.30 0.00 1.46 2.43 -1.66 0.13 114.38 117.03 1cbl h ARG 40 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1cbl h ARG 40 Cb 0.33 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1cbl h ARG 40 CO 0.02 0.20 0.00 0.74 -1.51 0.00 0.00 179.97 179.42 1cbl h PHE 41 N 0.31 0.00 -0.12 2.20 0.04 -1.70 -3.34 116.94 114.33 1cbl h PHE 41 Ca 0.34 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.97 1cbl h PHE 41 Cb 0.89 0.00 -0.21 0.00 2.20 0.00 0.00 35.95 38.82 1cbl h PHE 41 CO -0.00 0.00 -0.77 1.19 -0.60 0.00 0.00 178.31 178.13 1cbl n PHE 42 N -2.46 0.40 0.26 -0.55 3.72 0.01 -4.86 117.46 113.98 1cbl n PHE 42 Ca 0.03 -1.29 0.09 0.00 -0.05 0.00 0.00 57.45 56.24 1cbl n PHE 42 Cb 0.32 -0.22 0.67 0.00 -0.94 0.00 0.00 39.48 39.31 1cbl n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1cbl h GLU 43 N 1.25 0.00 0.00 -1.08 5.08 -1.64 -2.24 114.58 115.96 1cbl h GLU 43 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1cbl h GLU 43 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 1cbl h GLU 43 CO 0.13 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 177.09 1cbl n SER 44 N -4.17 0.00 0.02 1.42 3.41 -1.26 -3.77 113.62 109.27 1cbl n SER 44 Ca -0.03 -0.69 0.12 0.00 -0.26 0.00 0.00 58.87 58.02 1cbl n SER 44 Cb 0.16 -0.10 0.30 0.00 -0.26 0.00 0.00 64.21 64.32 1cbl n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1cbl n PHE 45 N -1.10 0.19 0.00 7.33 3.01 -0.84 -5.05 117.46 121.00 1cbl n PHE 45 Ca 0.20 0.06 0.00 0.00 1.01 0.00 0.00 57.45 58.72 1cbl n PHE 45 Cb 0.15 -0.43 0.00 0.00 -0.01 0.00 0.00 39.48 39.19 1cbl n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1cbl n GLY 46 N 1.45 0.04 3.68 1.37 0.00 -1.25 -4.75 105.19 105.73 1cbl n GLY 46 Ca 0.05 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 1cbl n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1cbl s ASP 47 N -4.00 6.87 0.00 1.61 2.15 -1.26 -4.86 116.67 117.17 1cbl s ASP 47 Ca 0.00 1.06 0.00 0.00 0.43 0.00 0.00 52.55 54.04 1cbl s ASP 47 Cb 0.00 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 1cbl s ASP 47 CO 0.00 -0.29 0.47 0.18 -0.17 0.00 0.00 175.17 175.36 1cbl n LEU 48 N 4.85 0.37 0.26 -1.34 4.77 -1.26 -3.92 117.00 120.72 1cbl n LEU 48 Ca 0.01 -0.37 0.17 0.00 -0.03 0.00 0.00 56.01 55.80 1cbl n LEU 48 Cb 0.50 0.00 0.79 0.00 -2.33 0.00 0.00 43.42 42.38 1cbl n LEU 48 CO 0.46 0.09 1.01 0.77 -1.33 0.00 0.00 177.39 178.39 1cbl h SER 49 N 0.00 0.00 -4.75 -1.43 4.64 -1.94 -3.42 113.55 106.65 1cbl h SER 49 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1cbl h SER 49 Cb 0.76 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.65 1cbl h SER 49 CO 0.00 0.00 -0.73 0.42 -0.87 0.00 0.00 176.83 175.65 1cbl s THR 50 N -3.73 0.55 0.56 2.95 -4.23 -1.26 -5.01 115.64 105.47 1cbl s THR 50 Ca -0.00 -1.22 0.25 0.00 -1.18 0.00 0.00 61.69 59.54 1cbl s THR 50 Cb 0.10 -0.78 0.34 0.00 1.34 0.00 0.00 72.50 73.50 1cbl s THR 50 CO 0.45 -0.47 2.12 -0.65 -0.54 0.00 0.00 174.62 175.52 1cbl h PRO 51 N 4.24 0.00 0.08 3.99 0.11 -1.99 0.18 132.00 138.61 1cbl h PRO 51 Ca -0.36 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.47 1cbl h PRO 51 Cb 1.20 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.33 1cbl h PRO 51 CO 0.45 0.00 -1.16 -0.44 -0.21 0.00 0.00 178.00 176.64 1cbl h ASP 52 N 0.00 0.81 0.07 -2.05 3.32 -1.95 -1.56 116.42 115.06 1cbl h ASP 52 Ca 0.08 -0.72 0.02 0.00 0.02 0.00 0.00 57.03 56.43 1cbl h ASP 52 Cb 0.38 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1cbl h ASP 52 CO -0.00 1.52 -0.17 0.00 -1.72 0.00 0.00 179.24 178.87 1cbl h ALA 53 N 0.40 -0.26 0.31 3.45 0.00 -1.17 -1.50 119.26 120.48 1cbl h ALA 53 Ca -0.16 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1cbl h ALA 53 Cb 1.83 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.89 1cbl h ALA 53 CO 0.22 -0.69 -0.19 0.28 0.00 0.00 0.00 179.25 178.87 1cbl h VAL 54 N -0.32 0.60 0.00 0.00 2.07 -0.78 -1.78 116.25 116.04 1cbl h VAL 54 Ca 0.03 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.51 1cbl h VAL 54 Cb 0.35 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1cbl h VAL 54 CO -0.12 0.00 -0.21 0.24 0.02 0.00 0.00 177.57 177.51 1cbl h MET 55 N -0.48 0.00 0.05 1.57 2.07 -1.22 -2.84 114.93 114.09 1cbl h MET 55 Ca -0.03 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.37 1cbl h MET 55 Cb 0.40 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.12 1cbl h MET 55 CO 0.03 0.21 -1.06 0.78 1.07 0.00 0.00 176.91 177.93 1cbl h GLY 56 N 0.79 0.19 -6.52 8.32 0.00 -1.13 -3.47 103.07 101.25 1cbl h GLY 56 Ca -0.00 -0.44 -0.71 0.00 0.00 0.00 0.00 47.33 46.18 1cbl h GLY 56 CO 0.03 0.38 1.09 -2.01 0.00 0.00 0.00 176.54 176.03 1cbl n ASN 57 N -3.51 2.30 0.26 0.19 2.85 -0.68 -4.85 115.26 111.81 1cbl n ASN 57 Ca -0.04 0.85 0.15 0.00 -0.11 0.00 0.00 54.58 55.43 1cbl n ASN 57 Cb 0.94 -1.18 0.53 0.00 1.24 0.00 0.00 39.78 41.31 1cbl n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1cbl h PRO 58 N 8.96 0.00 -0.17 1.20 0.11 -1.90 -1.99 132.00 138.22 1cbl h PRO 58 Ca -0.39 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.57 1cbl h PRO 58 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1cbl h PRO 58 CO 0.99 0.01 -0.48 0.87 -0.21 0.00 0.00 178.00 179.18 1cbl h LYS 59 N 0.00 0.62 0.07 1.05 1.57 -1.89 -0.95 116.57 117.04 1cbl h LYS 59 Ca -0.00 -0.45 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1cbl h LYS 59 Cb 0.66 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 1cbl h LYS 59 CO 0.00 1.07 -0.08 0.28 -0.57 0.00 0.00 179.45 180.15 1cbl h VAL 60 N 0.29 0.82 0.41 0.50 2.07 -1.71 -0.31 116.25 118.32 1cbl h VAL 60 Ca -0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 1cbl h VAL 60 Cb 1.10 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1cbl h VAL 60 CO 0.10 0.00 -0.41 0.11 0.02 0.00 0.00 177.57 177.39 1cbl h LYS 61 N -0.17 -0.81 -0.56 1.57 1.57 -1.38 -0.06 116.57 116.73 1cbl h LYS 61 Ca 0.01 0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.96 1cbl h LYS 61 Cb 0.17 0.18 -0.10 0.00 0.08 0.00 0.00 32.23 32.56 1cbl h LYS 61 CO -0.03 -0.54 -0.03 0.00 -0.57 0.00 0.00 179.45 178.28 1cbl h ALA 62 N -0.49 0.51 -0.13 3.86 0.00 -1.10 -1.39 119.26 120.52 1cbl h ALA 62 Ca -0.04 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1cbl h ALA 62 Cb 0.75 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1cbl h ALA 62 CO -0.06 -0.40 0.07 1.25 0.00 0.00 0.00 179.25 180.10 1cbl h HIS 63 N 0.09 0.19 -0.07 0.00 -0.00 -0.80 -1.75 115.15 112.81 1cbl h HIS 63 Ca 0.29 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.67 1cbl h HIS 63 Cb 0.45 -0.06 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 1cbl h HIS 63 CO -0.37 0.24 0.06 0.78 -0.00 0.00 0.00 177.93 178.64 1cbl h GLY 64 N 0.09 0.00 1.15 5.26 0.00 -0.61 0.15 103.07 109.12 1cbl h GLY 64 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 1cbl h GLY 64 CO -0.01 0.00 -0.14 1.70 0.00 0.00 0.00 176.54 178.10 1cbl h LYS 65 N 0.00 0.98 -0.48 4.80 3.11 -0.37 -1.96 116.57 122.65 1cbl h LYS 65 Ca 0.03 -0.37 -0.05 0.00 -2.81 0.00 0.00 60.65 57.45 1cbl h LYS 65 Cb 0.15 -0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 31.31 1cbl h LYS 65 CO -0.00 1.05 0.10 0.87 -2.81 0.00 0.00 179.45 178.66 1cbl h LYS 66 N 0.87 0.78 -0.15 1.90 1.57 -0.39 -2.50 116.57 118.65 1cbl h LYS 66 Ca 0.13 -0.20 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1cbl h LYS 66 Cb 0.70 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1cbl h LYS 66 CO 0.05 0.77 -0.01 0.28 -0.57 0.00 0.00 179.45 179.97 1cbl h VAL 67 N 0.66 0.88 -0.03 0.50 2.07 -0.88 -2.83 116.25 116.63 1cbl h VAL 67 Ca 0.15 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.55 1cbl h VAL 67 Cb 0.35 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1cbl h VAL 67 CO 0.00 0.01 -0.50 -0.07 0.02 0.00 0.00 177.57 177.03 1cbl h LEU 68 N 0.03 0.07 -0.63 2.57 3.38 -1.34 -2.50 115.31 116.89 1cbl h LEU 68 Ca 0.07 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1cbl h LEU 68 Cb 0.09 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1cbl h LEU 68 CO -0.13 0.56 0.14 1.23 0.09 0.00 0.00 178.44 180.33 1cbl h GLY 69 N 1.45 1.10 1.05 0.83 0.00 -1.28 0.45 103.07 106.67 1cbl h GLY 69 Ca -0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 47.33 46.58 1cbl h GLY 69 CO 0.07 0.65 0.27 0.00 0.00 0.00 0.00 176.54 177.53 1cbl h ALA 70 N 1.04 0.99 0.12 3.60 0.00 -1.33 -2.22 119.26 121.47 1cbl h ALA 70 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1cbl h ALA 70 Cb 0.38 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1cbl h ALA 70 CO 0.00 0.64 -0.09 0.74 0.00 0.00 0.00 179.25 180.55 1cbl h PHE 71 N 1.11 -0.23 -1.00 0.00 0.04 -0.93 -0.87 116.94 115.06 1cbl h PHE 71 Ca 0.25 -0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.21 1cbl h PHE 71 Cb 0.26 0.09 -0.11 0.00 2.20 0.00 0.00 35.95 38.39 1cbl h PHE 71 CO 0.02 -0.14 0.60 0.77 -0.60 0.00 0.00 178.31 178.96 1cbl h SER 72 N -0.22 0.75 -0.37 2.17 0.02 0.18 -0.32 113.55 115.78 1cbl h SER 72 Ca -0.00 0.10 -0.12 0.00 -0.84 0.00 0.00 61.79 60.93 1cbl h SER 72 Cb 0.20 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1cbl h SER 72 CO -0.01 0.25 -0.22 0.44 -1.14 0.00 0.00 176.83 176.15 1cbl h ASP 73 N 0.73 0.88 -0.02 3.07 3.32 -0.76 -2.51 116.42 121.13 1cbl h ASP 73 Ca 0.58 -0.32 -0.07 0.00 0.02 0.00 0.00 57.03 57.24 1cbl h ASP 73 Cb 0.93 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1cbl h ASP 73 CO -0.40 1.06 -0.19 1.23 -1.72 0.00 0.00 179.24 179.23 1cbl h GLY 74 N 0.93 0.41 1.58 2.75 0.00 0.29 -2.67 103.07 106.36 1cbl h GLY 74 Ca 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1cbl h GLY 74 CO 0.06 0.27 0.00 1.41 0.00 0.00 0.00 176.54 178.28 1cbl h LEU 75 N 0.35 0.49 0.00 3.11 3.38 -1.01 -2.30 115.31 119.33 1cbl h LEU 75 Ca 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1cbl h LEU 75 Cb 0.53 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1cbl h LEU 75 CO 0.03 0.56 -0.19 0.00 0.09 0.00 0.00 178.44 178.94 1cbl n ALA 76 N -2.48 2.63 -2.59 1.53 0.00 -0.98 -4.00 120.51 114.63 1cbl n ALA 76 Ca 0.01 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.15 1cbl n ALA 76 Cb 0.24 -1.36 0.02 0.00 0.00 0.00 0.00 19.45 18.36 1cbl n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1cbl n HIS 77 N -1.81 1.98 0.21 0.00 8.25 -0.90 -4.92 115.22 118.03 1cbl n HIS 77 Ca 0.06 -2.89 0.17 0.00 -0.26 0.00 0.00 57.72 54.80 1cbl n HIS 77 Cb 0.38 -0.27 0.83 0.00 1.12 0.00 0.00 29.99 32.05 1cbl n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1cbl h LEU 78 N 2.83 0.00 -0.48 2.41 3.38 -1.60 -0.62 115.31 121.23 1cbl h LEU 78 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1cbl h LEU 78 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1cbl h LEU 78 CO 0.62 0.00 -0.32 0.47 0.09 0.00 0.00 178.44 179.30 1cbl n ASP 79 N -3.86 1.06 -2.82 -0.43 8.00 -1.26 -4.31 116.55 112.93 1cbl n ASP 79 Ca 0.01 -0.89 -0.15 0.00 0.71 0.00 0.00 54.79 54.48 1cbl n ASP 79 Cb 0.29 0.20 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 1cbl n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1cbl n ASN 80 N -0.69 1.81 0.07 -2.24 4.05 -0.25 -4.91 115.26 113.09 1cbl n ASN 80 Ca 0.11 -2.97 -0.19 0.00 0.45 0.00 0.00 54.58 51.98 1cbl n ASN 80 Cb 0.36 -0.55 -0.10 0.00 1.23 0.00 0.00 39.78 40.72 1cbl n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1cbl h LEU 81 N 2.95 0.76 -0.57 1.20 3.38 -1.73 0.13 115.31 121.43 1cbl h LEU 81 Ca 0.02 -0.66 -0.01 0.00 0.09 0.00 0.00 57.88 57.32 1cbl h LEU 81 Cb 1.04 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1cbl h LEU 81 CO 0.56 1.46 0.31 0.50 0.09 0.00 0.00 178.44 181.36 1cbl h LYS 82 N 0.29 0.80 -0.13 1.13 3.11 -1.91 -0.29 116.57 119.57 1cbl h LYS 82 Ca -0.14 -0.10 -0.04 0.00 -2.81 0.00 0.00 60.65 57.56 1cbl h LYS 82 Cb 1.76 -0.15 -0.00 0.00 -1.00 0.00 0.00 32.23 32.84 1cbl h LYS 82 CO 0.21 0.62 -0.09 0.78 -2.81 0.00 0.00 179.45 178.16 1cbl h GLY 83 N 0.77 0.32 0.64 5.01 0.00 -1.94 -1.95 103.07 105.93 1cbl h GLY 83 Ca 0.20 -0.31 0.12 0.00 0.00 0.00 0.00 47.33 47.34 1cbl h GLY 83 CO -0.03 0.28 0.56 -0.84 0.00 0.00 0.00 176.54 176.51 1cbl h THR 84 N -0.06 0.89 -0.50 4.70 2.02 -0.56 -2.71 112.91 116.69 1cbl h THR 84 Ca 0.03 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.95 1cbl h THR 84 Cb 0.58 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 1cbl h THR 84 CO 0.02 0.14 0.00 0.49 0.37 0.00 0.00 175.52 176.54 1cbl n PHE 85 N -4.54 0.66 -0.17 3.16 3.72 -0.13 -4.67 117.46 115.49 1cbl n PHE 85 Ca 0.16 -0.39 -0.04 0.00 -0.05 0.00 0.00 57.45 57.12 1cbl n PHE 85 Cb 0.39 -0.01 -0.04 0.00 -0.94 0.00 0.00 39.48 38.89 1cbl n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1cbl n ALA 86 N 1.32 -0.26 -0.12 4.37 0.00 -0.74 0.52 120.51 125.59 1cbl n ALA 86 Ca 0.19 0.35 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1cbl n ALA 86 Cb 0.56 0.11 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 1cbl n ALA 86 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1cbl h THR 87 N 0.00 1.26 -0.23 0.00 2.02 -1.83 -2.92 112.91 111.20 1cbl h THR 87 Ca 0.07 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.19 1cbl h THR 87 Cb 0.17 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1cbl h THR 87 CO -0.38 0.32 -0.29 -0.07 0.37 0.00 0.00 175.52 175.47 1cbl h LEU 88 N 0.45 0.47 -0.48 2.58 3.38 -1.61 -2.80 115.31 117.30 1cbl h LEU 88 Ca 0.10 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1cbl h LEU 88 Cb 0.44 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1cbl h LEU 88 CO 0.02 0.75 0.21 -1.28 0.09 0.00 0.00 178.44 178.22 1cbl h SER 89 N 0.40 0.65 -0.56 -0.43 0.87 0.24 -0.92 113.55 113.80 1cbl h SER 89 Ca 0.05 -0.15 -0.01 0.00 -1.23 0.00 0.00 61.79 60.45 1cbl h SER 89 Cb 0.72 -0.17 -0.03 0.00 -0.44 0.00 0.00 62.40 62.48 1cbl h SER 89 CO 0.05 0.62 0.30 -0.33 -0.53 0.00 0.00 176.83 176.95 1cbl h GLU 90 N 0.63 0.78 0.50 2.24 5.08 -1.42 0.83 114.58 123.21 1cbl h GLU 90 Ca 0.16 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1cbl h GLU 90 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1cbl h GLU 90 CO -0.02 0.61 -0.44 1.25 -1.00 0.00 0.00 179.01 179.41 1cbl h LEU 91 N 0.75 -1.18 -0.98 1.33 5.85 -1.24 0.10 115.31 119.94 1cbl h LEU 91 Ca 0.20 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1cbl h LEU 91 Cb 0.06 0.38 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 1cbl h LEU 91 CO -0.03 -0.61 0.43 0.45 -0.34 0.00 0.00 178.44 178.34 1cbl h HIS 92 N -0.93 1.14 0.07 1.25 3.86 -1.04 -0.03 115.15 119.46 1cbl h HIS 92 Ca -0.05 -0.03 -0.21 0.00 -1.16 0.00 0.00 60.37 58.91 1cbl h HIS 92 Cb 0.80 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 1cbl h HIS 92 CO -0.20 0.80 -1.10 0.00 0.86 0.00 0.00 177.93 178.28 1cbl h ASP 94 N -0.58 0.73 0.00 0.00 3.32 -0.88 -3.28 116.42 115.73 1cbl h ASP 94 Ca -0.25 -0.93 -0.45 0.00 0.02 0.00 0.00 57.03 55.42 1cbl h ASP 94 Cb 1.52 -0.24 -0.07 0.00 0.22 0.00 0.00 39.33 40.77 1cbl h ASP 94 CO -0.01 1.72 -2.50 0.29 -1.72 0.00 0.00 179.24 177.03 1cbl n LYS 95 N -3.71 0.60 0.06 3.56 5.02 -0.51 -4.60 118.16 118.57 1cbl n LYS 95 Ca -0.20 0.26 -0.07 0.00 -2.02 0.00 0.00 58.31 56.28 1cbl n LYS 95 Cb 1.07 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 34.46 1cbl n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1cbl h LEU 96 N -0.88 0.00 -1.43 -0.35 3.38 -1.11 -3.48 115.31 111.43 1cbl h LEU 96 Ca -0.68 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 56.97 1cbl h LEU 96 Cb 1.64 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.54 1cbl h LEU 96 CO -0.38 1.00 -0.67 1.41 0.09 0.00 0.00 178.44 179.89 1cbl n HIS 97 N -3.35 -2.17 -2.40 1.13 8.25 0.13 -4.95 115.22 111.86 1cbl n HIS 97 Ca -0.00 0.87 -0.42 0.00 -0.26 0.00 0.00 57.72 57.91 1cbl n HIS 97 Cb 0.94 -4.75 -0.03 0.00 1.12 0.00 0.00 29.99 27.28 1cbl n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1cbl s VAL 98 N -3.31 4.14 0.36 1.59 1.01 -0.30 -4.98 120.40 118.91 1cbl s VAL 98 Ca 0.16 1.47 -0.28 0.00 0.00 0.00 0.00 61.98 63.32 1cbl s VAL 98 Cb -0.07 -3.94 -0.12 0.00 0.00 0.00 0.00 36.38 32.25 1cbl s VAL 98 CO 0.66 -0.03 1.44 0.47 0.00 0.00 0.00 175.10 177.64 1cbl n ASP 99 N 5.51 3.49 -0.17 3.32 9.92 -1.26 -4.81 116.55 132.54 1cbl n ASP 99 Ca 0.12 1.21 0.10 0.00 -0.53 0.00 0.00 54.79 55.70 1cbl n ASP 99 Cb 0.45 -1.58 0.42 0.00 -0.64 0.00 0.00 41.12 39.78 1cbl n ASP 99 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1cbl h PRO 100 N 3.05 0.58 -0.55 -0.24 0.13 -1.97 -1.03 132.00 131.96 1cbl h PRO 100 Ca -0.49 -0.03 0.12 0.00 -0.87 0.00 0.00 66.00 64.73 1cbl h PRO 100 Cb 1.25 -0.13 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 1cbl h PRO 100 CO 0.65 0.38 0.38 1.49 -0.23 0.00 0.00 178.00 180.68 1cbl h GLU 101 N 0.60 0.20 -0.15 0.86 4.57 -1.99 -1.71 114.58 116.97 1cbl h GLU 101 Ca 0.34 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.43 1cbl h GLU 101 Cb 0.51 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.04 1cbl h GLU 101 CO -0.12 0.13 -0.26 -0.91 -1.18 0.00 0.00 179.01 176.68 1cbl h ASN 102 N 0.21 0.26 -0.62 1.04 2.35 -1.55 -0.87 115.58 116.40 1cbl h ASN 102 Ca 0.26 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.87 1cbl h ASN 102 Cb 0.75 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 1cbl h ASN 102 CO -0.05 0.53 0.16 -0.26 -1.65 0.00 0.00 177.43 176.16 1cbl h PHE 103 N 0.24 1.05 -0.46 1.19 0.04 -1.39 -1.68 116.94 115.93 1cbl h PHE 103 Ca 0.04 -0.11 -0.13 0.00 2.80 0.00 0.00 57.97 60.57 1cbl h PHE 103 Cb 0.59 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1cbl h PHE 103 CO 0.01 0.86 -0.21 0.00 -0.60 0.00 0.00 178.31 178.37 1cbl h ARG 104 N 0.97 0.96 -0.54 1.51 3.08 -1.46 -1.82 114.38 117.09 1cbl h ARG 104 Ca 0.21 -0.42 -0.12 0.00 0.07 0.00 0.00 59.98 59.72 1cbl h ARG 104 Cb 0.33 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1cbl h ARG 104 CO -0.00 1.08 -0.12 -0.07 -1.07 0.00 0.00 179.97 179.79 1cbl h LEU 105 N 0.81 1.03 -0.73 3.04 3.38 -0.89 -1.53 115.31 120.42 1cbl h LEU 105 Ca 0.10 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1cbl h LEU 105 Cb 0.79 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1cbl h LEU 105 CO 0.07 1.15 0.26 0.25 0.09 0.00 0.00 178.44 180.25 1cbl h LEU 106 N 0.91 1.03 -0.64 1.67 5.85 -1.22 0.14 115.31 123.05 1cbl h LEU 106 Ca 0.14 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.72 1cbl h LEU 106 Cb 0.69 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.40 1cbl h LEU 106 CO 0.05 0.94 0.36 1.23 -0.34 0.00 0.00 178.44 180.68 1cbl h GLY 107 N 1.06 0.92 0.92 3.75 0.00 -1.02 0.26 103.07 108.96 1cbl h GLY 107 Ca 0.24 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 1cbl h GLY 107 CO -0.01 0.18 -0.12 3.43 0.00 0.00 0.00 176.54 180.02 1cbl h ASN 108 N 0.68 -0.29 -0.79 0.19 2.35 -0.69 -0.91 115.58 116.13 1cbl h ASN 108 Ca 0.28 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 56.04 1cbl h ASN 108 Cb 0.13 0.09 -0.04 0.00 0.05 0.00 0.00 38.32 38.56 1cbl h ASN 108 CO -0.16 -0.19 0.47 0.58 -1.65 0.00 0.00 177.43 176.49 1cbl h VAL 109 N -0.29 1.22 -0.63 2.81 2.07 -0.21 -2.77 116.25 118.46 1cbl h VAL 109 Ca -0.01 -0.50 -0.07 0.00 0.82 0.00 0.00 66.70 66.93 1cbl h VAL 109 Cb 0.25 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 1cbl h VAL 109 CO 0.01 0.24 0.12 0.25 0.02 0.00 0.00 177.57 178.21 1cbl h LEU 110 N 1.10 0.98 -1.23 2.57 5.85 -0.19 -0.65 115.31 123.74 1cbl h LEU 110 Ca 0.28 -0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1cbl h LEU 110 Cb -0.03 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.71 1cbl h LEU 110 CO -0.05 0.98 0.21 0.58 -0.34 0.00 0.00 178.44 179.81 1cbl h VAL 111 N 0.94 1.19 -0.39 1.05 2.07 -0.93 -1.96 116.25 118.22 1cbl h VAL 111 Ca 0.19 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 67.00 1cbl h VAL 111 Cb 0.40 0.57 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1cbl h VAL 111 CO 0.01 0.23 -0.25 0.00 0.02 0.00 0.00 177.57 177.58 1cbl h VAL 113 N 0.70 1.27 -0.19 0.00 2.07 -0.69 -1.32 116.25 118.09 1cbl h VAL 113 Ca 0.09 -1.30 -0.09 0.00 0.82 0.00 0.00 66.70 66.22 1cbl h VAL 113 Cb 0.78 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1cbl h VAL 113 CO 0.06 0.44 -0.26 -0.07 0.02 0.00 0.00 177.57 177.76 1cbl h LEU 114 N 0.72 0.34 0.47 2.57 3.38 -1.32 -1.84 115.31 119.64 1cbl h LEU 114 Ca 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 1cbl h LEU 114 Cb 0.72 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1cbl h LEU 114 CO 0.05 0.61 -0.23 0.00 0.09 0.00 0.00 178.44 178.97 1cbl h ALA 115 N 1.42 -0.64 -1.05 1.53 0.00 -1.17 0.43 119.26 119.78 1cbl h ALA 115 Ca 0.05 -0.18 0.28 0.00 0.00 0.00 0.00 54.91 55.06 1cbl h ALA 115 Cb 0.63 0.25 -0.12 0.00 0.00 0.00 0.00 17.79 18.55 1cbl h ALA 115 CO 0.05 -0.75 0.64 1.25 0.00 0.00 0.00 179.25 180.44 1cbl h HIS 116 N -0.86 0.82 0.15 0.00 -0.00 -1.11 0.69 115.15 114.85 1cbl h HIS 116 Ca -0.07 0.03 -0.35 0.00 -0.00 0.00 0.00 60.37 59.99 1cbl h HIS 116 Cb 0.58 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.75 1cbl h HIS 116 CO -0.00 -0.00 -1.79 0.45 -0.00 0.00 0.00 177.93 176.59 1cbl h HIS 117 N 0.42 0.58 0.00 5.26 -0.00 -1.30 -3.39 115.15 116.72 1cbl h HIS 117 Ca 0.66 -0.43 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1cbl h HIS 117 Cb 1.54 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.92 1cbl h HIS 117 CO -0.01 1.63 -1.12 1.19 -0.00 0.00 0.00 177.93 179.63 1cbl n PHE 118 N -3.52 0.02 0.00 2.45 3.72 0.14 -4.99 117.46 115.28 1cbl n PHE 118 Ca -0.25 0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1cbl n PHE 118 Cb 1.06 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.47 1cbl n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1cbl n GLY 119 N 1.45 2.15 0.38 1.37 0.00 0.24 -1.23 105.19 109.55 1cbl n GLY 119 Ca 0.03 0.43 0.15 0.00 0.00 0.00 0.00 46.02 46.62 1cbl n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1cbl h LYS 120 N 0.00 0.50 0.00 1.61 1.79 -1.94 -1.46 116.57 117.07 1cbl h LYS 120 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1cbl h LYS 120 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1cbl h LYS 120 CO 0.00 0.33 0.00 0.39 -1.08 0.00 0.00 179.45 179.09 1cbl n GLU 121 N -4.51 0.63 -2.62 3.15 1.02 -0.37 -4.22 120.64 113.72 1cbl n GLU 121 Ca 0.16 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.87 1cbl n GLU 121 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1cbl n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1cbl n PHE 122 N -1.18 3.51 -1.78 -0.32 7.35 -0.55 -4.93 117.46 119.55 1cbl n PHE 122 Ca 0.17 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.60 1cbl n PHE 122 Cb 0.19 -1.92 0.08 0.00 0.35 0.00 0.00 39.48 38.18 1cbl n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1cbl s THR 123 N 0.25 2.71 0.16 -2.13 -4.23 -1.26 -4.78 115.64 106.37 1cbl s THR 123 Ca 0.39 0.23 -0.16 0.00 -1.18 0.00 0.00 61.69 60.97 1cbl s THR 123 Cb 0.05 -3.15 0.06 0.00 1.34 0.00 0.00 72.50 70.80 1cbl s THR 123 CO 0.01 -0.30 1.72 -0.65 -0.54 0.00 0.00 174.62 174.86 1cbl h PRO 124 N -0.98 0.17 -0.15 3.99 0.11 -1.96 0.18 132.00 133.35 1cbl h PRO 124 Ca -0.46 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 1cbl h PRO 124 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1cbl h PRO 124 CO 0.63 0.11 -0.25 -1.00 -0.21 0.00 0.00 178.00 177.29 1cbl h PRO 125 N 0.18 0.27 -0.14 1.05 0.14 -1.98 0.40 132.00 131.92 1cbl h PRO 125 Ca 0.19 -0.09 -0.03 0.00 0.14 0.00 0.00 66.00 66.21 1cbl h PRO 125 Cb 0.24 -0.02 -0.00 0.00 0.14 0.00 0.00 31.00 31.35 1cbl h PRO 125 CO -0.27 0.51 -0.01 0.28 0.14 0.00 0.00 178.00 178.65 1cbl h VAL 126 N 0.24 1.27 -0.50 1.56 2.07 -1.67 -0.37 116.25 118.84 1cbl h VAL 126 Ca 0.04 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.73 1cbl h VAL 126 Cb 0.57 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.87 1cbl h VAL 126 CO 0.04 0.26 0.19 -0.61 0.02 0.00 0.00 177.57 177.47 1cbl h GLN 127 N -0.03 0.37 -0.84 1.57 4.15 -0.30 0.23 115.11 120.27 1cbl h GLN 127 Ca 0.04 -0.02 0.03 0.00 0.77 0.00 0.00 58.65 59.46 1cbl h GLN 127 Cb 0.40 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.96 1cbl h GLN 127 CO 0.01 0.25 0.55 0.00 -1.93 0.00 0.00 178.83 177.70 1cbl h ALA 128 N 1.32 1.10 0.11 3.38 0.00 0.05 0.27 119.26 125.49 1cbl h ALA 128 Ca 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1cbl h ALA 128 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1cbl h ALA 128 CO -0.23 0.40 -0.05 0.00 0.00 0.00 0.00 179.25 179.37 1cbl h ALA 129 N 1.34 -0.14 -0.98 0.00 0.00 -0.05 -2.52 119.26 116.91 1cbl h ALA 129 Ca 0.33 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1cbl h ALA 129 Cb -0.03 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1cbl h ALA 129 CO -0.10 -0.48 0.65 1.88 0.00 0.00 0.00 179.25 181.19 1cbl h TYR 130 N -0.34 1.22 -0.86 0.00 0.05 -0.36 -0.85 116.97 115.83 1cbl h TYR 130 Ca -0.01 0.03 0.07 0.00 0.05 0.00 0.00 58.73 58.87 1cbl h TYR 130 Cb 0.28 -0.41 -0.07 0.00 1.01 0.00 0.00 36.73 37.54 1cbl h TYR 130 CO -0.01 0.75 0.52 0.37 -1.05 0.00 0.00 178.16 178.74 1cbl h GLN 131 N 1.30 0.90 -0.56 4.88 5.75 -0.90 -0.79 115.11 125.68 1cbl h GLN 131 Ca 0.37 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 58.72 1cbl h GLN 131 Cb -0.11 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.22 1cbl h GLN 131 CO -0.09 0.60 -0.03 0.87 -2.65 0.00 0.00 178.83 177.53 1cbl h LYS 132 N 0.93 1.01 0.24 1.69 1.79 -0.72 -2.53 116.57 118.97 1cbl h LYS 132 Ca 0.39 -0.33 -0.01 0.00 -2.18 0.00 0.00 60.65 58.51 1cbl h LYS 132 Cb 0.24 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 1cbl h LYS 132 CO -0.20 1.02 -0.12 0.28 -1.08 0.00 0.00 179.45 179.35 1cbl h VAL 133 N 0.89 0.80 -0.85 0.50 2.07 -0.83 -1.18 116.25 117.67 1cbl h VAL 133 Ca 0.16 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1cbl h VAL 133 Cb 0.58 0.95 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 1cbl h VAL 133 CO 0.03 0.06 0.50 0.58 0.02 0.00 0.00 177.57 178.76 1cbl h VAL 134 N -0.45 0.95 -0.45 2.57 2.07 -1.18 0.31 116.25 120.07 1cbl h VAL 134 Ca -0.03 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.07 1cbl h VAL 134 Cb 0.34 0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1cbl h VAL 134 CO 0.05 0.16 -0.21 0.00 0.02 0.00 0.00 177.57 177.59 1cbl h ALA 135 N 1.45 0.64 -0.41 1.67 0.00 -1.36 -1.02 119.26 120.22 1cbl h ALA 135 Ca 0.40 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1cbl h ALA 135 Cb 0.32 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1cbl h ALA 135 CO -0.23 0.61 0.20 0.78 0.00 0.00 0.00 179.25 180.62 1cbl h GLY 136 N 0.78 0.63 0.94 0.00 0.00 0.26 -1.94 103.07 103.75 1cbl h GLY 136 Ca 0.10 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.09 1cbl h GLY 136 CO 0.06 0.30 0.15 -2.08 0.00 0.00 0.00 176.54 174.97 1cbl h VAL 137 N 0.53 1.20 -0.82 4.60 2.07 -0.33 -1.44 116.25 122.06 1cbl h VAL 137 Ca 0.14 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.02 1cbl h VAL 137 Cb 0.11 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 1cbl h VAL 137 CO -0.02 0.23 0.50 0.00 0.02 0.00 0.00 177.57 178.30 1cbl h ALA 138 N 1.00 1.32 -0.46 1.67 0.00 -1.05 0.11 119.26 121.85 1cbl h ALA 138 Ca 0.14 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1cbl h ALA 138 Cb 0.21 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1cbl h ALA 138 CO -0.01 0.58 0.09 -0.97 0.00 0.00 0.00 179.25 178.94 1cbl h ASN 139 N 1.14 0.72 -0.39 0.00 -0.73 -1.15 -1.92 115.58 113.24 1cbl h ASN 139 Ca 0.30 -0.25 -0.07 0.00 1.87 0.00 0.00 56.30 58.15 1cbl h ASN 139 Cb -0.05 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.34 1cbl h ASN 139 CO -0.06 0.78 -0.01 0.00 -0.37 0.00 0.00 177.43 177.77 1cbl h ALA 140 N 0.96 0.52 -0.26 1.57 0.00 -0.86 -2.58 119.26 118.61 1cbl h ALA 140 Ca 0.14 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1cbl h ALA 140 Cb 0.36 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1cbl h ALA 140 CO 0.01 0.31 -0.11 -0.07 0.00 0.00 0.00 179.25 179.39 1cbl h LEU 141 N 0.51 0.41 -1.26 0.00 3.38 -0.67 -3.09 115.31 114.60 1cbl h LEU 141 Ca 0.11 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1cbl h LEU 141 Cb 0.49 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1cbl h LEU 141 CO 0.02 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.12 1cbl n ALA 142 N -2.48 2.51 -0.33 1.53 0.00 -0.73 -4.41 120.51 116.60 1cbl n ALA 142 Ca 0.00 -0.58 0.12 0.00 0.00 0.00 0.00 53.44 52.99 1cbl n ALA 142 Cb 0.30 -1.06 0.34 0.00 0.00 0.00 0.00 19.45 19.03 1cbl n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1cbl h HIS 143 N 2.56 0.97 0.00 0.00 6.17 -1.37 0.21 115.15 123.69 1cbl h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1cbl h HIS 143 Cb 0.56 -0.30 0.00 0.00 2.52 0.00 0.00 27.41 30.19 1cbl h HIS 143 CO 0.11 0.29 0.00 0.87 0.71 0.00 0.00 177.93 179.91 1cbl h LYS 144 N 0.76 0.00 0.00 5.26 1.79 -1.83 -0.61 116.57 121.94 1cbl h LYS 144 Ca 0.52 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.99 1cbl h LYS 144 Cb 0.81 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.46 1cbl h LYS 144 CO -0.29 0.00 -0.66 1.88 -1.08 0.00 0.00 179.45 179.30 1cbl h TYR 145 N 0.00 0.00 -0.00 -1.35 0.05 -0.91 -3.50 116.97 111.26 1cbl h TYR 145 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1cbl h TYR 145 Cb 0.23 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.97 1cbl h TYR 145 CO 0.00 0.00 0.00 0.72 -1.05 0.00 0.00 178.16 177.83