#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lbx s THR 20 N 0.00 5.30 -0.77 2.62 2.01 -1.26 -4.62 115.64 118.92 3lbx s THR 20 Ca 0.00 0.45 -0.04 0.00 0.31 0.00 0.00 61.69 62.41 3lbx s THR 20 Cb 0.00 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.91 3lbx s THR 20 CO 0.00 0.33 0.63 0.00 -0.69 0.00 0.00 174.62 174.89 3lbx n ALA 21 N 4.10 -2.71 0.02 7.40 0.00 -1.26 -3.04 120.51 125.02 3lbx n ALA 21 Ca -0.12 -0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.33 3lbx n ALA 21 Cb 0.52 -1.09 0.59 0.00 0.00 0.00 0.00 19.45 19.47 3lbx n ALA 21 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3lbx h GLU 22 N 0.14 0.19 -0.61 0.00 4.39 -1.99 4.53 114.58 121.22 3lbx h GLU 22 Ca -0.48 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.13 3lbx h GLU 22 Cb 1.31 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 3lbx h GLU 22 CO 0.34 0.12 0.07 0.93 -1.16 0.00 0.00 179.01 179.31 3lbx h GLU 23 N 0.19 1.03 0.00 2.33 5.08 -1.99 -2.80 114.58 118.42 3lbx h GLU 23 Ca 0.21 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3lbx h GLU 23 Cb 0.58 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3lbx h GLU 23 CO -0.03 0.98 0.00 0.82 -1.00 0.00 0.00 179.01 179.78 3lbx h ILE 24 N 0.94 0.00 -0.98 3.13 1.08 0.84 -3.31 117.51 119.21 3lbx h ILE 24 Ca 0.18 -0.33 0.31 0.00 -0.39 0.00 0.00 64.86 64.63 3lbx h ILE 24 Cb 0.47 1.17 -0.15 0.00 -3.07 0.00 0.00 36.82 35.24 3lbx h ILE 24 CO 0.02 0.00 0.49 -0.61 -0.69 0.00 0.00 178.15 177.35 3lbx h GLN 25 N 0.00 0.28 0.00 2.37 5.75 -0.10 -1.82 115.11 121.58 3lbx h GLN 25 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 3lbx h GLN 25 Cb 0.40 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3lbx h GLN 25 CO 0.00 0.18 0.01 -1.91 -2.65 0.00 0.00 178.83 174.47 3lbx n GLU 26 N -5.10 0.00 0.03 1.69 2.13 -1.25 -0.18 120.64 117.95 3lbx n GLU 26 Ca 0.30 0.10 0.08 0.00 0.66 0.00 0.00 57.16 58.29 3lbx n GLU 26 Cb 0.92 -1.51 0.50 0.00 0.27 0.00 0.00 31.44 31.62 3lbx n GLU 26 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 3lbx h ARG 27 N 0.00 0.37 -0.71 5.31 0.11 -1.65 -0.02 114.38 117.79 3lbx h ARG 27 Ca 0.00 -0.02 0.05 0.00 0.10 0.00 0.00 59.98 60.11 3lbx h ARG 27 Cb 0.03 -0.08 -0.04 0.00 1.11 0.00 0.00 29.97 30.98 3lbx h ARG 27 CO 0.00 0.24 0.47 -0.09 0.10 0.00 0.00 179.97 180.69 3lbx h ARG 28 N 0.38 0.78 -0.82 0.08 9.65 -0.83 0.76 114.38 124.37 3lbx h ARG 28 Ca 0.16 -0.05 0.02 0.00 -1.10 0.00 0.00 59.98 59.01 3lbx h ARG 28 Cb 0.18 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.54 3lbx h ARG 28 CO -0.04 0.52 0.54 0.37 2.80 0.00 0.00 179.97 184.16 3lbx h GLN 29 N 0.80 1.05 0.00 0.20 5.75 -1.19 -1.92 115.11 119.81 3lbx h GLN 29 Ca 0.29 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.67 3lbx h GLN 29 Cb 0.15 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 3lbx h GLN 29 CO -0.09 0.70 -0.29 0.93 -2.65 0.00 0.00 178.83 177.43 3lbx h GLU 30 N 1.08 0.00 0.00 1.69 4.39 -0.81 -0.06 114.58 120.88 3lbx h GLU 30 Ca 0.31 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.01 3lbx h GLU 30 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 3lbx h GLU 30 CO -0.08 0.29 0.00 0.28 -1.16 0.00 0.00 179.01 178.33 3lbx h VAL 31 N 0.00 0.00 0.00 3.13 2.07 -0.15 -2.07 116.25 119.23 3lbx h VAL 31 Ca -0.00 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 3lbx h VAL 31 Cb 0.78 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3lbx h VAL 31 CO 0.04 0.00 -0.27 0.25 0.02 0.00 0.00 177.57 177.61 3lbx h LEU 32 N 0.00 0.00 -1.16 2.57 7.12 -0.40 -3.29 115.31 120.15 3lbx h LEU 32 Ca 0.00 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.09 3lbx h LEU 32 Cb 0.30 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.42 3lbx h LEU 32 CO 0.00 0.27 0.75 0.71 -0.13 0.00 0.00 178.44 180.04 3lbx h THR 33 N 0.00 0.07 -0.93 1.05 1.35 -1.44 0.41 112.91 113.41 3lbx h THR 33 Ca -0.00 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 66.10 3lbx h THR 33 Cb 0.65 0.31 -0.17 0.00 -1.73 0.00 0.00 68.15 67.21 3lbx h THR 33 CO 0.04 0.00 0.00 -0.09 -0.25 0.00 0.00 175.52 175.22 3lbx h ARG 34 N 0.00 0.04 -0.98 4.72 2.43 -1.80 0.46 114.38 119.24 3lbx h ARG 34 Ca 0.14 -0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.54 3lbx h ARG 34 Cb 1.63 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 31.09 3lbx h ARG 34 CO -0.00 0.03 0.64 -0.92 -1.51 0.00 0.00 179.97 178.20 3lbx h TYR 35 N 0.04 0.65 -0.13 2.20 3.20 -0.49 0.54 116.97 122.98 3lbx h TYR 35 Ca 0.54 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.38 3lbx h TYR 35 Cb 1.06 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.13 3lbx h TYR 35 CO -0.50 0.12 -0.11 0.37 -1.64 0.00 0.00 178.16 176.40 3lbx h GLN 36 N 0.44 0.30 -0.11 1.82 5.75 -0.28 -1.21 115.11 121.81 3lbx h GLN 36 Ca 0.54 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.83 3lbx h GLN 36 Cb 1.31 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.85 3lbx h GLN 36 CO -0.25 0.68 -0.19 0.66 -2.65 0.00 0.00 178.83 177.08 3lbx h SER 37 N -0.07 0.18 -0.04 -0.69 4.64 -0.44 -2.09 113.55 115.03 3lbx h SER 37 Ca 0.02 -0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.29 3lbx h SER 37 Cb 0.62 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3lbx h SER 37 CO 0.03 0.39 -0.02 0.15 -0.87 0.00 0.00 176.83 176.51 3lbx h PHE 38 N 0.18 0.09 -0.31 4.77 3.57 0.04 -2.71 116.94 122.56 3lbx h PHE 38 Ca 0.03 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.55 3lbx h PHE 38 Cb 0.44 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 3lbx h PHE 38 CO 0.01 0.46 0.08 0.87 -2.23 0.00 0.00 178.31 177.50 3lbx h LYS 39 N -0.31 0.20 -0.57 1.11 1.79 -1.00 -2.10 116.57 115.69 3lbx h LYS 39 Ca 0.01 -0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.51 3lbx h LYS 39 Cb 0.43 -0.04 -0.05 0.00 -1.58 0.00 0.00 32.23 30.99 3lbx h LYS 39 CO 0.00 0.13 0.31 0.93 -1.08 0.00 0.00 179.45 179.75 3lbx h GLU 40 N 0.20 0.58 -0.23 3.15 5.08 -1.44 -0.88 114.58 121.05 3lbx h GLU 40 Ca 0.14 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 3lbx h GLU 40 Cb 0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3lbx h GLU 40 CO -0.17 0.38 -0.14 0.00 -1.00 0.00 0.00 179.01 178.09 3lbx h ARG 41 N 0.60 0.37 -0.19 2.33 3.08 -1.24 0.07 114.38 119.39 3lbx h ARG 41 Ca 0.25 -0.10 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 3lbx h ARG 41 Cb 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 3lbx h ARG 41 CO -0.15 0.51 -0.02 0.28 -1.07 0.00 0.00 179.97 179.53 3lbx h VAL 42 N 0.35 1.27 -0.85 2.04 2.07 -0.75 -1.15 116.25 119.23 3lbx h VAL 42 Ca 0.07 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.68 3lbx h VAL 42 Cb 0.45 1.49 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 3lbx h VAL 42 CO 0.03 0.28 0.56 0.00 0.02 0.00 0.00 177.57 178.45 3lbx h ALA 43 N 0.76 1.09 -0.24 1.67 0.00 -0.80 -2.21 119.26 119.53 3lbx h ALA 43 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3lbx h ALA 43 Cb 0.42 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3lbx h ALA 43 CO 0.01 0.46 0.04 1.49 0.00 0.00 0.00 179.25 181.25 3lbx h GLU 44 N 1.13 0.40 0.27 0.00 4.81 -0.86 -1.14 114.58 119.19 3lbx h GLU 44 Ca 0.32 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.43 3lbx h GLU 44 Cb -0.10 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3lbx h GLU 44 CO -0.08 0.53 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.46 3lbx h ARG 45 N 0.21 -0.43 -0.47 1.92 2.43 -1.10 0.86 114.38 117.80 3lbx h ARG 45 Ca 0.07 0.03 0.09 0.00 -0.81 0.00 0.00 59.98 59.36 3lbx h ARG 45 Cb 0.33 0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 29.89 3lbx h ARG 45 CO 0.00 -0.29 -0.03 0.78 -1.51 0.00 0.00 179.97 178.93 3lbx h GLY 46 N -0.45 0.45 0.72 2.80 0.00 -1.37 0.10 103.07 105.33 3lbx h GLY 46 Ca -0.02 0.08 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3lbx h GLY 46 CO 0.01 -0.14 -0.11 -1.61 0.00 0.00 0.00 176.54 174.69 3lbx h GLN 47 N 0.09 -0.18 -0.97 4.80 5.75 -0.90 0.32 115.11 124.02 3lbx h GLN 47 Ca 0.23 0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.79 3lbx h GLN 47 Cb 0.35 0.04 -0.06 0.00 1.07 0.00 0.00 27.48 28.88 3lbx h GLN 47 CO -0.41 -0.12 0.63 0.87 -2.65 0.00 0.00 178.83 177.15 3lbx h LYS 48 N -0.19 1.18 -0.67 1.69 1.57 0.12 0.51 116.57 120.79 3lbx h LYS 48 Ca 0.04 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3lbx h LYS 48 Cb 0.24 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 3lbx h LYS 48 CO -0.11 0.78 0.38 -0.07 -0.57 0.00 0.00 179.45 179.86 3lbx h LEU 49 N 1.21 0.81 -0.56 2.94 3.38 -0.27 0.32 115.31 123.15 3lbx h LEU 49 Ca 0.39 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.29 3lbx h LEU 49 Cb 0.02 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3lbx h LEU 49 CO -0.13 0.65 0.37 -0.33 0.09 0.00 0.00 178.44 179.09 3lbx h GLU 50 N 0.91 0.73 -0.58 1.13 4.39 0.48 0.45 114.58 122.09 3lbx h GLU 50 Ca 0.24 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.92 3lbx h GLU 50 Cb 0.00 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.45 3lbx h GLU 50 CO -0.04 0.48 0.35 -0.44 -1.16 0.00 0.00 179.01 178.20 3lbx h ASP 51 N 0.75 0.56 -0.57 1.42 3.32 -0.41 -1.93 116.42 119.55 3lbx h ASP 51 Ca 0.21 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 3lbx h ASP 51 Cb -0.07 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 3lbx h ASP 51 CO -0.05 0.39 0.09 -1.28 -1.72 0.00 0.00 179.24 176.66 3lbx h SER 52 N 0.68 0.94 0.50 6.45 0.87 -0.36 -1.97 113.55 120.66 3lbx h SER 52 Ca 0.23 -0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3lbx h SER 52 Cb 0.04 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3lbx h SER 52 CO -0.11 0.94 -0.39 0.22 -0.53 0.00 0.00 176.83 176.97 3lbx h TYR 53 N 0.92 -1.05 -0.94 2.24 3.20 -0.22 0.14 116.97 121.27 3lbx h TYR 53 Ca 0.19 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.10 3lbx h TYR 53 Cb 0.41 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 39.02 3lbx h TYR 53 CO 0.03 -0.56 0.61 0.45 -1.64 0.00 0.00 178.16 177.05 3lbx h HIS 54 N -0.88 1.13 0.04 -3.82 3.86 -1.31 0.16 115.15 114.33 3lbx h HIS 54 Ca -0.05 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 3lbx h HIS 54 Cb 0.75 -0.37 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3lbx h HIS 54 CO -0.16 0.63 -0.02 1.25 0.86 0.00 0.00 177.93 180.49 3lbx h LEU 55 N 1.14 -0.04 -0.63 2.43 5.85 -1.00 -1.45 115.31 121.60 3lbx h LEU 55 Ca 0.39 -0.22 -0.02 0.00 0.84 0.00 0.00 57.88 58.87 3lbx h LEU 55 Cb 0.08 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 3lbx h LEU 55 CO -0.13 0.20 0.32 1.56 -0.34 0.00 0.00 178.44 180.05 3lbx h GLN 56 N -0.29 0.90 -0.71 1.25 1.08 -0.09 -0.44 115.11 116.81 3lbx h GLN 56 Ca -0.01 -0.12 0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3lbx h GLN 56 Cb 0.26 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.48 3lbx h GLN 56 CO 0.01 0.70 0.47 0.28 -0.95 0.00 0.00 178.83 179.34 3lbx h VAL 57 N 0.87 1.16 0.97 -0.54 2.07 -0.96 -1.32 116.25 118.49 3lbx h VAL 57 Ca 0.22 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3lbx h VAL 57 Cb 0.08 0.14 0.01 0.00 -1.52 0.00 0.00 31.29 30.00 3lbx h VAL 57 CO -0.03 0.17 -0.46 0.15 0.02 0.00 0.00 177.57 177.42 3lbx h PHE 58 N 0.94 -1.20 -0.80 1.57 3.57 -0.78 -2.16 116.94 118.07 3lbx h PHE 58 Ca 0.27 -0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.93 3lbx h PHE 58 Cb -0.07 0.40 -0.14 0.00 2.79 0.00 0.00 35.95 38.93 3lbx h PHE 58 CO -0.03 -0.75 0.06 0.87 -2.23 0.00 0.00 178.31 176.24 3lbx h LYS 59 N -1.30 0.12 -0.57 1.11 1.57 -0.69 0.13 116.57 116.93 3lbx h LYS 59 Ca -0.13 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3lbx h LYS 59 Cb 1.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.25 3lbx h LYS 59 CO 0.22 0.08 0.23 -0.09 -0.57 0.00 0.00 179.45 179.32 3lbx h ARG 60 N 0.13 0.86 -0.46 3.15 2.43 -1.23 0.83 114.38 120.09 3lbx h ARG 60 Ca 0.46 -0.15 -0.04 0.00 -0.81 0.00 0.00 59.98 59.44 3lbx h ARG 60 Cb 0.85 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 30.24 3lbx h ARG 60 CO -0.68 0.74 0.14 -0.44 -1.51 0.00 0.00 179.97 178.22 3lbx h ASP 61 N 0.79 0.67 0.24 -3.80 5.19 -0.15 0.12 116.42 119.47 3lbx h ASP 61 Ca 0.19 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.38 3lbx h ASP 61 Cb 0.20 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.54 3lbx h ASP 61 CO -0.02 0.70 -0.11 0.00 -3.12 0.00 0.00 179.24 176.69 3lbx h ALA 62 N 1.00 -0.32 -0.80 3.45 0.00 -0.75 -0.70 119.26 121.14 3lbx h ALA 62 Ca 0.15 -0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.07 3lbx h ALA 62 Cb 0.27 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 3lbx h ALA 62 CO -0.00 -0.68 0.45 -0.44 0.00 0.00 0.00 179.25 178.58 3lbx h ASP 63 N -0.32 0.66 -0.43 0.00 3.32 -0.71 0.29 116.42 119.23 3lbx h ASP 63 Ca -0.03 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 3lbx h ASP 63 Cb 0.24 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 3lbx h ASP 63 CO 0.05 0.39 -0.01 0.44 -1.72 0.00 0.00 179.24 178.39 3lbx h ASP 64 N 0.78 0.81 -0.47 6.45 3.32 -0.77 -0.26 116.42 126.28 3lbx h ASP 64 Ca 0.38 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 57.15 3lbx h ASP 64 Cb 0.32 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3lbx h ASP 64 CO -0.23 0.88 0.05 0.25 -1.72 0.00 0.00 179.24 178.47 3lbx h LEU 65 N 0.78 0.82 -0.31 1.55 5.85 0.30 -0.50 115.31 123.79 3lbx h LEU 65 Ca 0.15 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.69 3lbx h LEU 65 Cb 0.48 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3lbx h LEU 65 CO 0.02 0.85 0.20 1.23 -0.34 0.00 0.00 178.44 180.40 3lbx h GLY 66 N 0.99 0.43 0.90 3.75 0.00 0.13 -1.26 103.07 108.01 3lbx h GLY 66 Ca 0.16 -0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.35 3lbx h GLY 66 CO 0.01 0.14 -0.03 0.50 0.00 0.00 0.00 176.54 177.16 3lbx h LYS 67 N 0.40 -0.05 -0.61 4.80 1.57 -0.73 -1.23 116.57 120.73 3lbx h LYS 67 Ca 0.12 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.00 3lbx h LYS 67 Cb -0.03 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 3lbx h LYS 67 CO -0.04 -0.04 0.22 2.35 -0.57 0.00 0.00 179.45 181.37 3lbx h TRP 68 N -0.06 0.38 -0.06 -1.35 7.01 -0.79 0.29 115.95 121.37 3lbx h TRP 68 Ca 0.02 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.05 3lbx h TRP 68 Cb 0.08 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.06 3lbx h TRP 68 CO -0.11 0.09 0.03 0.82 -2.79 0.00 0.00 178.44 176.47 3lbx h ILE 69 N 0.39 1.09 -0.48 2.65 2.04 -0.87 -2.10 117.51 120.23 3lbx h ILE 69 Ca 0.31 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.94 3lbx h ILE 69 Cb 0.39 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.60 3lbx h ILE 69 CO -0.31 0.07 0.32 0.24 0.00 0.00 0.00 178.15 178.47 3lbx h MET 70 N -0.01 0.56 -0.44 2.37 2.86 -0.07 0.13 114.93 120.33 3lbx h MET 70 Ca 0.02 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3lbx h MET 70 Cb 0.09 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3lbx h MET 70 CO -0.00 0.37 0.24 0.93 1.06 0.00 0.00 176.91 179.51 3lbx h GLU 71 N 0.57 0.62 -0.01 1.72 5.08 -0.41 0.18 114.58 122.33 3lbx h GLU 71 Ca 0.19 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3lbx h GLU 71 Cb 0.05 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 3lbx h GLU 71 CO -0.05 0.49 0.01 0.87 -1.00 0.00 0.00 179.01 179.33 3lbx h LYS 72 N 0.58 0.01 -0.92 2.33 1.79 -0.64 -1.86 116.57 117.85 3lbx h LYS 72 Ca 0.15 -0.00 0.09 0.00 -2.18 0.00 0.00 60.65 58.72 3lbx h LYS 72 Cb 0.06 -0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 30.63 3lbx h LYS 72 CO -0.02 0.07 0.57 0.28 -1.08 0.00 0.00 179.45 179.26 3lbx h VAL 73 N -0.05 0.96 -0.79 0.50 2.07 -0.30 0.98 116.25 119.62 3lbx h VAL 73 Ca 0.00 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.14 3lbx h VAL 73 Cb 0.06 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.72 3lbx h VAL 73 CO -0.00 0.17 0.30 0.78 0.02 0.00 0.00 177.57 178.84 3lbx h ASN 74 N 0.96 1.11 -0.68 0.57 2.35 -0.49 -0.98 115.58 118.42 3lbx h ASN 74 Ca 0.44 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.94 3lbx h ASN 74 Cb 0.34 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.40 3lbx h ASN 74 CO -0.23 0.99 0.19 0.40 -1.65 0.00 0.00 177.43 177.12 3lbx h ILE 75 N 1.16 1.26 -0.42 2.81 2.04 -0.04 -0.95 117.51 123.37 3lbx h ILE 75 Ca 0.26 -0.93 -0.13 0.00 1.00 0.00 0.00 64.86 65.06 3lbx h ILE 75 Cb 0.24 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3lbx h ILE 75 CO -0.02 0.36 -0.26 -0.07 0.00 0.00 0.00 178.15 178.16 3lbx h LEU 76 N 1.04 0.96 -0.45 1.44 3.38 -0.73 -3.15 115.31 117.80 3lbx h LEU 76 Ca 0.22 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3lbx h LEU 76 Cb 0.34 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3lbx h LEU 76 CO -0.00 1.17 -0.13 0.35 0.09 0.00 0.00 178.44 179.93 3lbx n THR 77 N -4.14 0.00 -0.84 0.22 -2.24 -0.40 -4.29 114.28 102.59 3lbx n THR 77 Ca -0.01 -0.12 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 3lbx n THR 77 Cb 0.48 0.15 -0.04 0.00 -2.10 0.00 0.00 70.33 68.82 3lbx n THR 77 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3lbx n ASP 78 N -0.63 5.40 -0.11 3.42 2.03 -0.37 -4.19 116.55 122.10 3lbx n ASP 78 Ca 0.15 -2.33 -0.09 0.00 0.52 0.00 0.00 54.79 53.04 3lbx n ASP 78 Cb 0.30 -1.16 -0.02 0.00 -0.72 0.00 0.00 41.12 39.53 3lbx n ASP 78 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 3lbx h LYS 79 N 5.46 0.48 -6.22 -0.67 3.64 -1.85 -3.33 116.57 114.08 3lbx h LYS 79 Ca 0.48 -0.07 -0.68 0.00 -1.27 0.00 0.00 60.65 59.11 3lbx h LYS 79 Cb 0.40 -0.09 0.02 0.00 -0.41 0.00 0.00 32.23 32.15 3lbx h LYS 79 CO 1.24 0.44 0.95 0.45 -2.27 0.00 0.00 179.45 180.25 3lbx n SER 80 N -4.75 2.80 -4.67 4.20 2.88 -1.26 -4.67 113.62 108.14 3lbx n SER 80 Ca -0.01 1.04 -0.25 0.00 -1.33 0.00 0.00 58.87 58.31 3lbx n SER 80 Cb 0.11 -1.25 -0.08 0.00 -0.75 0.00 0.00 64.21 62.23 3lbx n SER 80 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 3lbx s TYR 81 N 3.42 2.57 0.17 0.66 6.14 -1.25 -5.08 117.35 123.98 3lbx s TYR 81 Ca 0.94 -0.54 -0.01 0.00 0.64 0.00 0.00 57.07 58.11 3lbx s TYR 81 Cb -0.89 -1.73 0.04 0.00 0.42 0.00 0.00 41.96 39.79 3lbx s TYR 81 CO 0.58 0.35 0.24 0.39 0.64 0.00 0.00 175.55 177.74 3lbx n GLU 82 N -1.07 0.29 0.00 4.97 4.71 -1.26 -5.07 120.64 123.20 3lbx n GLU 82 Ca -0.03 -0.56 -0.14 0.00 -0.01 0.00 0.00 57.16 56.41 3lbx n GLU 82 Cb 0.64 -0.18 -0.03 0.00 -1.01 0.00 0.00 31.44 30.86 3lbx n GLU 82 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3lbx h ASP 83 N -0.19 0.78 -1.90 1.62 3.32 -2.01 -3.49 116.42 114.55 3lbx h ASP 83 Ca -0.08 -0.50 -0.63 0.00 0.02 0.00 0.00 57.03 55.84 3lbx h ASP 83 Cb 0.27 -0.23 0.12 0.00 0.22 0.00 0.00 39.33 39.70 3lbx h ASP 83 CO 0.08 1.28 -0.24 -2.65 -1.72 0.00 0.00 179.24 175.98 3lbx n PRO 84 N -3.90 0.68 0.00 3.56 -0.02 -1.26 -4.98 135.00 129.07 3lbx n PRO 84 Ca -0.06 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 3lbx n PRO 84 Cb 0.73 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 3lbx n PRO 84 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 3lbx n THR 85 N -0.11 0.06 -2.47 3.45 5.66 -1.26 -5.05 114.28 114.57 3lbx n THR 85 Ca 0.13 -0.15 -0.43 0.00 -3.05 0.00 0.00 64.05 60.55 3lbx n THR 85 Cb 0.31 1.54 -0.02 0.00 -1.55 0.00 0.00 70.33 70.61 3lbx n THR 85 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3lbx s ASN 86 N -0.06 6.79 -0.06 1.09 2.47 -1.26 -4.92 114.94 119.00 3lbx s ASN 86 Ca 0.00 1.28 -0.25 0.00 0.42 0.00 0.00 52.86 54.32 3lbx s ASN 86 Cb 0.00 -2.54 -0.24 0.00 -1.45 0.00 0.00 41.25 37.02 3lbx s ASN 86 CO 0.00 -0.97 1.02 0.40 -3.72 0.00 0.00 177.10 173.83 3lbx h ILE 87 N 5.81 1.56 -0.40 -5.21 2.04 -1.96 0.34 117.51 119.68 3lbx h ILE 87 Ca -0.25 -1.96 0.08 0.00 1.00 0.00 0.00 64.86 63.73 3lbx h ILE 87 Cb 1.09 2.79 -0.07 0.00 -0.74 0.00 0.00 36.82 39.90 3lbx h ILE 87 CO 1.02 0.53 -0.04 -0.61 0.00 0.00 0.00 178.15 179.05 3lbx h GLN 88 N -0.53 0.05 -0.47 2.37 5.75 -1.91 0.61 115.11 120.99 3lbx h GLN 88 Ca -0.03 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 3lbx h GLN 88 Cb 1.00 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 3lbx h GLN 88 CO 0.05 0.04 0.30 0.78 -2.65 0.00 0.00 178.83 177.35 3lbx h GLY 89 N 0.06 0.66 0.38 2.39 0.00 -1.98 -1.65 103.07 102.93 3lbx h GLY 89 Ca 0.19 -0.26 0.12 0.00 0.00 0.00 0.00 47.33 47.39 3lbx h GLY 89 CO -0.36 0.25 0.49 0.50 0.00 0.00 0.00 176.54 177.42 3lbx h LYS 90 N 0.63 0.73 -0.47 4.80 1.57 0.10 0.28 116.57 124.21 3lbx h LYS 90 Ca 0.17 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3lbx h LYS 90 Cb -0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3lbx h LYS 90 CO -0.04 0.48 0.28 -0.92 -0.57 0.00 0.00 179.45 178.69 3lbx h TYR 91 N 0.75 0.61 0.24 -1.35 3.20 0.10 0.44 116.97 120.96 3lbx h TYR 91 Ca 0.45 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.31 3lbx h TYR 91 Cb 0.52 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.59 3lbx h TYR 91 CO -0.06 0.41 -0.12 1.96 -1.64 0.00 0.00 178.16 178.71 3lbx h GLN 92 N 0.64 -0.32 -0.85 1.82 4.20 0.33 0.26 115.11 121.20 3lbx h GLN 92 Ca 0.17 0.02 0.17 0.00 0.06 0.00 0.00 58.65 59.07 3lbx h GLN 92 Cb -0.03 0.07 -0.10 0.00 0.30 0.00 0.00 27.48 27.72 3lbx h GLN 92 CO -0.03 -0.05 0.41 0.87 -0.67 0.00 0.00 178.83 179.36 3lbx h LYS 93 N -0.55 0.53 -0.50 1.46 1.57 -0.89 0.21 116.57 118.39 3lbx h LYS 93 Ca -0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 3lbx h LYS 93 Cb 0.41 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.58 3lbx h LYS 93 CO 0.06 0.35 0.06 1.25 -0.57 0.00 0.00 179.45 180.59 3lbx h HIS 94 N 0.55 0.90 -0.61 -1.35 2.76 -0.63 -1.47 115.15 115.30 3lbx h HIS 94 Ca 0.48 -0.14 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 3lbx h HIS 94 Cb 0.76 -0.24 -0.03 0.00 1.55 0.00 0.00 27.41 29.45 3lbx h HIS 94 CO -0.11 0.83 0.33 1.96 -1.30 0.00 0.00 177.93 179.64 3lbx h GLN 95 N 0.71 0.86 -0.94 5.26 4.20 0.15 -1.42 115.11 123.93 3lbx h GLN 95 Ca 0.15 -0.10 0.04 0.00 0.06 0.00 0.00 58.65 58.79 3lbx h GLN 95 Cb 0.44 -0.17 -0.05 0.00 0.30 0.00 0.00 27.48 27.99 3lbx h GLN 95 CO 0.01 0.66 0.62 1.03 -0.67 0.00 0.00 178.83 180.48 3lbx h SER 96 N 0.84 1.03 -0.73 1.46 0.87 -0.61 -1.78 113.55 114.62 3lbx h SER 96 Ca 0.22 -0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.71 3lbx h SER 96 Cb 0.05 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 3lbx h SER 96 CO -0.03 0.71 0.26 0.25 -0.53 0.00 0.00 176.83 177.49 3lbx h LEU 97 N 1.19 1.04 -1.43 2.23 5.85 -0.44 -2.25 115.31 121.51 3lbx h LEU 97 Ca 0.37 -0.19 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 3lbx h LEU 97 Cb 0.01 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.75 3lbx h LEU 97 CO -0.11 0.95 0.04 -0.33 -0.34 0.00 0.00 178.44 178.65 3lbx h GLU 98 N 1.07 0.42 -0.04 1.25 5.08 -0.44 -1.75 114.58 120.16 3lbx h GLU 98 Ca 0.24 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3lbx h GLU 98 Cb 0.26 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 3lbx h GLU 98 CO -0.01 0.42 0.01 0.00 -1.00 0.00 0.00 179.01 178.42 3lbx h ALA 99 N 1.64 0.06 -0.46 3.43 0.00 -1.05 -0.26 119.26 122.62 3lbx h ALA 99 Ca 0.10 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.95 3lbx h ALA 99 Cb 0.21 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3lbx h ALA 99 CO 0.00 -0.30 0.03 0.93 0.00 0.00 0.00 179.25 179.91 3lbx h GLU 100 N -0.17 0.15 -0.40 0.00 5.08 -1.09 0.12 114.58 118.27 3lbx h GLU 100 Ca 0.01 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3lbx h GLU 100 Cb 0.27 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3lbx h GLU 100 CO 0.00 0.10 0.22 0.28 -1.00 0.00 0.00 179.01 178.61 3lbx h VAL 101 N 0.15 1.01 0.45 3.13 2.07 -1.19 -0.43 116.25 121.44 3lbx h VAL 101 Ca 0.23 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 3lbx h VAL 101 Cb 0.33 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 3lbx h VAL 101 CO -0.35 0.08 -0.31 1.56 0.02 0.00 0.00 177.57 178.57 3lbx h GLN 102 N 0.44 -0.71 -0.82 1.57 1.08 0.68 0.47 115.11 117.83 3lbx h GLN 102 Ca 0.17 0.05 0.03 0.00 -1.45 0.00 0.00 58.65 57.45 3lbx h GLN 102 Cb 0.05 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 27.59 3lbx h GLN 102 CO -0.10 -0.47 0.53 1.79 -0.95 0.00 0.00 178.83 179.62 3lbx h THR 103 N -0.74 1.13 -0.05 -0.54 1.35 -0.78 -1.00 112.91 112.28 3lbx h THR 103 Ca -0.05 -0.35 -0.09 0.00 -0.55 0.00 0.00 66.41 65.37 3lbx h THR 103 Cb 0.62 0.02 -0.01 0.00 -1.73 0.00 0.00 68.15 67.04 3lbx h THR 103 CO 0.03 0.19 -0.37 0.50 -0.25 0.00 0.00 175.52 175.61 3lbx h LYS 104 N 1.02 0.11 -1.12 4.72 1.63 -0.80 -2.44 116.57 119.69 3lbx h LYS 104 Ca 0.33 -0.04 0.31 0.00 -0.85 0.00 0.00 60.65 60.40 3lbx h LYS 104 Cb 0.01 -0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 31.57 3lbx h LYS 104 CO -0.11 0.47 0.78 1.03 -3.45 0.00 0.00 179.45 178.16 3lbx h SER 105 N 0.09 0.15 -0.43 4.20 0.87 0.14 0.18 113.55 118.74 3lbx h SER 105 Ca 0.01 0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3lbx h SER 105 Cb 0.71 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.65 3lbx h SER 105 CO 0.05 0.02 0.29 -0.09 -0.53 0.00 0.00 176.83 176.57 3lbx h ARG 106 N 0.13 0.55 -0.43 2.24 2.43 -1.42 -1.37 114.38 116.51 3lbx h ARG 106 Ca 0.57 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.59 3lbx h ARG 106 Cb 1.98 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 31.39 3lbx h ARG 106 CO -0.11 0.36 -0.18 1.25 -1.51 0.00 0.00 179.97 179.79 3lbx h LEU 107 N 0.57 0.83 0.00 3.80 6.46 -0.82 -1.98 115.31 124.17 3lbx h LEU 107 Ca 0.16 -0.28 0.01 0.00 -0.12 0.00 0.00 57.88 57.65 3lbx h LEU 107 Cb -0.03 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 3lbx h LEU 107 CO -0.04 1.00 -0.03 -0.03 -0.62 0.00 0.00 178.44 178.72 3lbx h MET 108 N 0.73 -0.05 -0.60 1.25 4.05 -1.20 -1.97 114.93 117.13 3lbx h MET 108 Ca 0.11 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.61 3lbx h MET 108 Cb 0.69 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.44 3lbx h MET 108 CO 0.05 -0.04 0.27 0.77 0.23 0.00 0.00 176.91 178.20 3lbx h SER 109 N -0.06 0.34 -0.95 1.39 0.02 -1.22 -1.54 113.55 111.53 3lbx h SER 109 Ca 0.01 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3lbx h SER 109 Cb 0.07 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 3lbx h SER 109 CO -0.03 0.22 0.58 -0.08 -1.14 0.00 0.00 176.83 176.38 3lbx h GLU 110 N 0.50 1.29 -0.53 3.45 4.81 -1.14 0.10 114.58 123.06 3lbx h GLU 110 Ca 0.29 -0.11 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 3lbx h GLU 110 Cb 0.28 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3lbx h GLU 110 CO -0.24 0.89 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.74 3lbx h LEU 111 N 1.31 1.02 -0.30 1.64 3.38 -0.69 0.19 115.31 121.86 3lbx h LEU 111 Ca 0.34 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3lbx h LEU 111 Cb -0.07 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.39 3lbx h LEU 111 CO -0.07 1.13 0.09 -0.33 0.09 0.00 0.00 178.44 179.36 3lbx h GLU 112 N 0.90 0.47 0.10 1.13 5.08 -0.60 0.16 114.58 121.82 3lbx h GLU 112 Ca 0.14 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3lbx h GLU 112 Cb 0.68 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3lbx h GLU 112 CO 0.05 0.52 -0.13 -0.22 -1.00 0.00 0.00 179.01 178.23 3lbx h LYS 113 N 0.32 -0.26 -0.57 2.33 3.64 -0.67 0.64 116.57 122.01 3lbx h LYS 113 Ca 0.10 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3lbx h LYS 113 Cb 0.25 0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 32.07 3lbx h LYS 113 CO -0.00 -0.17 0.24 1.15 -2.27 0.00 0.00 179.45 178.40 3lbx h THR 114 N -0.27 0.85 0.42 1.00 2.02 -0.32 0.08 112.91 116.69 3lbx h THR 114 Ca 0.01 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 3lbx h THR 114 Cb 0.27 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 3lbx h THR 114 CO -0.05 0.08 -0.20 -0.09 0.37 0.00 0.00 175.52 175.63 3lbx h ARG 115 N 0.45 -0.54 -0.50 6.66 1.12 -0.27 0.27 114.38 121.57 3lbx h ARG 115 Ca 0.27 0.04 0.09 0.00 -1.11 0.00 0.00 59.98 59.27 3lbx h ARG 115 Cb 0.27 0.12 -0.08 0.00 -0.01 0.00 0.00 29.97 30.28 3lbx h ARG 115 CO -0.24 -0.35 0.04 0.93 -3.11 0.00 0.00 179.97 177.24 3lbx h GLU 116 N -0.58 0.15 0.07 0.20 5.08 -0.37 -2.27 114.58 116.86 3lbx h GLU 116 Ca -0.06 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.15 3lbx h GLU 116 Cb 0.44 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.66 3lbx h GLU 116 CO 0.09 0.10 -0.69 0.93 -1.00 0.00 0.00 179.01 178.44 3lbx h GLU 117 N 0.16 0.15 -0.00 2.33 5.08 -0.84 -3.37 114.58 118.08 3lbx h GLU 117 Ca 0.25 -0.26 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3lbx h GLU 117 Cb 0.37 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.71 3lbx h GLU 117 CO -0.38 1.12 -0.39 -2.13 -1.00 0.00 0.00 179.01 176.23 3lbx n ARG 118 N -4.29 0.38 -3.18 2.33 0.63 0.93 -4.40 116.66 109.07 3lbx n ARG 118 Ca -0.17 -0.22 -0.22 0.00 -0.92 0.00 0.00 57.85 56.32 3lbx n ARG 118 Cb 0.70 -1.50 -0.05 0.00 0.45 0.00 0.00 32.46 32.07 3lbx n ARG 118 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3lbx n PHE 119 N -1.11 0.93 -1.59 -0.14 3.72 -0.85 -5.03 117.46 113.39 3lbx n PHE 119 Ca 0.09 -3.80 -0.06 0.00 -0.05 0.00 0.00 57.45 53.63 3lbx n PHE 119 Cb 0.34 -0.42 0.04 0.00 -0.94 0.00 0.00 39.48 38.49 3lbx n PHE 119 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 3lbx n THR 120 N 0.60 0.00 -1.70 4.37 5.66 -1.26 -4.56 114.28 117.40 3lbx n THR 120 Ca 0.25 -0.25 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 3lbx n THR 120 Cb 0.56 -1.68 -0.01 0.00 -1.55 0.00 0.00 70.33 67.65 3lbx n THR 120 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 3lbx n MET 121 N -1.52 2.13 -0.74 1.09 2.81 -1.26 -2.17 117.12 117.46 3lbx n MET 121 Ca 0.03 0.75 0.00 0.00 -1.81 0.00 0.00 57.70 56.67 3lbx n MET 121 Cb 0.12 -2.34 0.00 0.00 -0.71 0.00 0.00 33.22 30.29 3lbx n MET 121 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3lbx n GLY 122 N 0.98 0.65 3.15 3.03 0.00 -1.26 -5.08 105.19 106.66 3lbx n GLY 122 Ca 0.06 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.14 3lbx n GLY 122 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3lbx s HIS 123 N -2.00 1.58 0.19 1.61 5.04 -0.92 -5.04 115.29 115.74 3lbx s HIS 123 Ca 0.00 -0.35 -0.12 0.00 -1.54 0.00 0.00 55.06 53.05 3lbx s HIS 123 Cb 0.00 -1.03 0.22 0.00 0.04 0.00 0.00 32.58 31.80 3lbx s HIS 123 CO 0.00 -0.07 1.73 0.77 -2.34 0.00 0.00 174.74 174.82 3lbx h SER 124 N 5.90 0.07 -0.36 9.88 0.02 -1.97 -2.49 113.55 124.60 3lbx h SER 124 Ca -0.35 0.08 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 3lbx h SER 124 Cb 1.16 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 63.72 3lbx h SER 124 CO 0.48 0.06 0.17 0.00 -1.14 0.00 0.00 176.83 176.41 3lbx n ALA 125 N -2.50 3.54 0.28 3.77 0.00 -1.26 -4.42 120.51 119.91 3lbx n ALA 125 Ca 0.06 -1.07 -0.14 0.00 0.00 0.00 0.00 53.44 52.29 3lbx n ALA 125 Cb 0.25 -1.14 -0.07 0.00 0.00 0.00 0.00 19.45 18.49 3lbx n ALA 125 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3lbx h HIS 126 N 0.90 -0.67 -0.48 0.00 2.76 -1.69 0.22 115.15 116.19 3lbx h HIS 126 Ca 0.17 -0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 3lbx h HIS 126 Cb 1.55 0.22 -0.02 0.00 1.55 0.00 0.00 27.41 30.71 3lbx h HIS 126 CO 0.60 -0.35 -0.06 0.93 -1.30 0.00 0.00 177.93 177.75 3lbx h GLU 127 N -1.03 0.85 -0.14 5.26 4.39 -1.83 0.13 114.58 122.20 3lbx h GLU 127 Ca -0.07 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.33 3lbx h GLU 127 Cb 0.63 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 3lbx h GLU 127 CO 0.12 0.89 -0.01 1.49 -1.16 0.00 0.00 179.01 180.34 3lbx h GLU 128 N 0.77 0.26 0.00 2.33 4.81 -1.83 -1.06 114.58 119.87 3lbx h GLU 128 Ca 0.14 -0.09 -0.10 0.00 -0.13 0.00 0.00 59.36 59.17 3lbx h GLU 128 Cb 0.56 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 3lbx h GLU 128 CO 0.03 0.51 -0.50 1.79 -0.73 0.00 0.00 179.01 180.12 3lbx h THR 129 N -0.01 1.18 -0.13 0.32 1.35 -0.91 -2.53 112.91 112.18 3lbx h THR 129 Ca 0.04 -1.81 -0.10 0.00 -0.55 0.00 0.00 66.41 63.98 3lbx h THR 129 Cb 0.40 2.03 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 3lbx h THR 129 CO 0.01 0.49 -0.38 0.11 -0.25 0.00 0.00 175.52 175.49 3lbx h LYS 130 N 0.00 0.28 0.03 4.72 1.57 -0.69 -3.14 116.57 119.34 3lbx h LYS 130 Ca -0.00 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3lbx h LYS 130 Cb 0.99 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3lbx h LYS 130 CO 0.06 0.63 -0.02 0.00 -0.57 0.00 0.00 179.45 179.55 3lbx h ALA 131 N 1.37 -0.04 -0.42 3.86 0.00 -0.77 -1.68 119.26 121.56 3lbx h ALA 131 Ca 0.02 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.85 3lbx h ALA 131 Cb 0.79 0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 3lbx h ALA 131 CO 0.06 -0.36 -0.10 0.45 0.00 0.00 0.00 179.25 179.30 3lbx h HIS 132 N -0.38 -0.21 -0.33 0.00 3.86 -1.57 0.17 115.15 116.69 3lbx h HIS 132 Ca -0.00 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3lbx h HIS 132 Cb 0.35 0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 3lbx h HIS 132 CO 0.04 -0.18 0.18 0.82 0.86 0.00 0.00 177.93 179.65 3lbx h ILE 133 N 0.01 1.11 -0.27 2.45 1.08 -1.51 -1.37 117.51 119.00 3lbx h ILE 133 Ca 0.20 -0.28 -0.08 0.00 -0.39 0.00 0.00 64.86 64.31 3lbx h ILE 133 Cb 0.31 0.66 -0.01 0.00 -3.07 0.00 0.00 36.82 34.72 3lbx h ILE 133 CO -0.43 0.12 -0.16 -0.33 -0.69 0.00 0.00 178.15 176.66 3lbx h GLU 134 N 0.46 0.59 -0.79 2.37 4.39 0.18 -1.50 114.58 120.29 3lbx h GLU 134 Ca 0.12 -0.27 0.05 0.00 0.34 0.00 0.00 59.36 59.60 3lbx h GLU 134 Cb 0.02 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.60 3lbx h GLU 134 CO -0.02 0.84 0.48 0.93 -1.16 0.00 0.00 179.01 180.09 3lbx h GLU 135 N 0.33 0.88 -0.35 2.33 3.07 0.06 -1.75 114.58 119.14 3lbx h GLU 135 Ca 0.06 -0.05 -0.09 0.00 -0.50 0.00 0.00 59.36 58.78 3lbx h GLU 135 Cb 0.68 -0.20 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3lbx h GLU 135 CO 0.04 0.58 -0.12 -0.07 -1.40 0.00 0.00 179.01 178.05 3lbx h LEU 136 N 0.90 0.71 -0.62 1.33 3.38 -1.24 -0.71 115.31 119.06 3lbx h LEU 136 Ca 0.34 -0.38 0.12 0.00 0.09 0.00 0.00 57.88 58.05 3lbx h LEU 136 Cb 0.13 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 3lbx h LEU 136 CO -0.16 0.93 0.14 0.03 0.09 0.00 0.00 178.44 179.47 3lbx h ARG 137 N 0.48 0.26 -0.47 1.13 3.08 -0.79 0.69 114.38 118.77 3lbx h ARG 137 Ca 0.08 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 3lbx h ARG 137 Cb 0.64 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 3lbx h ARG 137 CO 0.04 0.17 0.27 0.45 -1.07 0.00 0.00 179.97 179.83 3lbx h HIS 138 N 0.27 0.64 -0.58 3.04 3.86 -0.89 -0.96 115.15 120.52 3lbx h HIS 138 Ca 0.33 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.47 3lbx h HIS 138 Cb 0.50 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.74 3lbx h HIS 138 CO -0.25 0.47 0.12 -0.07 0.86 0.00 0.00 177.93 179.06 3lbx h LEU 139 N 0.62 0.86 -0.59 2.43 3.38 0.03 -2.54 115.31 119.50 3lbx h LEU 139 Ca 0.17 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3lbx h LEU 139 Cb 0.03 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 3lbx h LEU 139 CO -0.03 0.85 0.38 -0.25 0.09 0.00 0.00 178.44 179.48 3lbx h TRP 140 N 0.88 0.72 -0.91 1.13 2.91 0.99 -1.28 115.95 120.38 3lbx h TRP 140 Ca 0.19 0.02 0.06 0.00 1.13 0.00 0.00 58.89 60.29 3lbx h TRP 140 Cb 0.34 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 28.69 3lbx h TRP 140 CO 0.02 0.44 0.57 -0.44 -1.03 0.00 0.00 178.44 178.01 3lbx h ASP 141 N 0.77 0.91 0.12 2.65 3.32 -0.79 -0.82 116.42 122.57 3lbx h ASP 141 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 3lbx h ASP 141 Cb -0.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.32 3lbx h ASP 141 CO -0.06 0.58 -0.06 0.25 -1.72 0.00 0.00 179.24 178.23 3lbx h LEU 142 N 1.04 -0.13 -0.33 1.55 5.85 -0.97 -0.41 115.31 121.91 3lbx h LEU 142 Ca 0.40 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 59.15 3lbx h LEU 142 Cb 0.17 0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 3lbx h LEU 142 CO -0.17 -0.06 -0.03 0.25 -0.34 0.00 0.00 178.44 178.08 3lbx h LEU 143 N -0.19 -0.21 -0.95 2.25 5.85 -0.74 -1.54 115.31 119.78 3lbx h LEU 143 Ca -0.02 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.84 3lbx h LEU 143 Cb 0.15 0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 3lbx h LEU 143 CO 0.03 -0.07 0.61 -0.07 -0.34 0.00 0.00 178.44 178.60 3lbx h LEU 144 N 0.05 0.98 -0.40 2.25 3.38 -0.72 0.05 115.31 120.91 3lbx h LEU 144 Ca 0.16 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 3lbx h LEU 144 Cb 0.23 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3lbx h LEU 144 CO -0.30 0.64 0.10 -0.08 0.09 0.00 0.00 178.44 178.89 3lbx h GLU 145 N 1.13 0.64 -0.27 1.13 4.81 -0.26 -1.48 114.58 120.27 3lbx h GLU 145 Ca 0.40 -0.15 -0.15 0.00 -0.13 0.00 0.00 59.36 59.33 3lbx h GLU 145 Cb 0.11 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3lbx h GLU 145 CO -0.16 0.66 -0.44 -0.07 -0.73 0.00 0.00 179.01 178.28 3lbx h LEU 146 N 0.50 0.74 -0.20 1.64 4.07 -0.66 -0.89 115.31 120.50 3lbx h LEU 146 Ca 0.13 -0.35 -0.22 0.00 0.08 0.00 0.00 57.88 57.52 3lbx h LEU 146 Cb 0.31 -0.21 0.01 0.00 1.08 0.00 0.00 40.66 41.84 3lbx h LEU 146 CO 0.00 1.07 -0.86 0.71 -1.08 0.00 0.00 178.44 178.28 3lbx h THR 147 N 0.56 1.34 -0.70 0.22 1.35 -0.97 0.18 112.91 114.90 3lbx h THR 147 Ca 0.04 -2.22 -0.05 0.00 -0.55 0.00 0.00 66.41 63.63 3lbx h THR 147 Cb 0.98 2.22 -0.03 0.00 -1.73 0.00 0.00 68.15 69.60 3lbx h THR 147 CO 0.09 0.68 0.25 0.25 -0.25 0.00 0.00 175.52 176.54 3lbx h LEU 148 N 0.34 0.98 -0.07 3.87 5.85 -1.23 0.88 115.31 125.94 3lbx h LEU 148 Ca -0.07 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.42 3lbx h LEU 148 Cb 1.48 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.26 3lbx h LEU 148 CO 0.16 0.90 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.71 3lbx h GLU 149 N 1.00 0.22 -0.21 1.25 5.08 -1.04 -0.02 114.58 120.86 3lbx h GLU 149 Ca 0.23 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3lbx h GLU 149 Cb 0.25 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3lbx h GLU 149 CO -0.01 0.70 0.10 -0.22 -1.00 0.00 0.00 179.01 178.58 3lbx h LYS 150 N -0.25 0.21 -0.36 2.33 3.64 -0.94 -2.55 116.57 118.65 3lbx h LYS 150 Ca 0.01 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3lbx h LYS 150 Cb 0.69 -0.05 -0.09 0.00 -0.41 0.00 0.00 32.23 32.37 3lbx h LYS 150 CO 0.03 0.14 -0.35 0.78 -2.27 0.00 0.00 179.45 177.78 3lbx h GLY 151 N 0.22 -0.34 0.62 5.01 0.00 -0.76 -1.12 103.07 106.70 3lbx h GLY 151 Ca 0.08 0.44 0.16 0.00 0.00 0.00 0.00 47.33 48.01 3lbx h GLY 151 CO -0.06 -0.20 0.52 -0.55 0.00 0.00 0.00 176.54 176.25 3lbx h ASP 152 N -0.29 0.39 0.25 0.19 3.32 -0.65 -1.27 116.42 118.36 3lbx h ASP 152 Ca 0.15 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 3lbx h ASP 152 Cb 0.55 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3lbx h ASP 152 CO -0.52 0.20 -0.12 1.56 -1.72 0.00 0.00 179.24 178.63 3lbx h GLN 153 N 0.42 -0.33 -0.40 3.56 4.20 -0.81 -2.62 115.11 119.13 3lbx h GLN 153 Ca 0.39 0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.19 3lbx h GLN 153 Cb 0.91 0.07 -0.06 0.00 0.30 0.00 0.00 27.48 28.70 3lbx h GLN 153 CO -0.13 -0.09 0.05 -0.07 -0.67 0.00 0.00 178.83 177.92 3lbx h LEU 154 N -0.51 -0.05 -0.93 1.46 3.38 -1.02 -0.35 115.31 117.29 3lbx h LEU 154 Ca -0.03 0.08 0.19 0.00 0.09 0.00 0.00 57.88 58.20 3lbx h LEU 154 Cb 0.38 0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.14 3lbx h LEU 154 CO 0.06 0.01 0.51 -0.07 0.09 0.00 0.00 178.44 179.04 3lbx h LEU 155 N 0.17 0.60 -0.37 1.67 3.38 -1.26 -1.14 115.31 118.37 3lbx h LEU 155 Ca 0.20 0.11 -0.18 0.00 0.09 0.00 0.00 57.88 58.10 3lbx h LEU 155 Cb 0.25 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3lbx h LEU 155 CO -0.28 0.19 -0.82 0.03 0.09 0.00 0.00 178.44 177.65 3lbx h ARG 156 N 0.63 0.05 -0.12 1.13 3.08 -0.81 -3.01 114.38 115.32 3lbx h ARG 156 Ca 0.54 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.54 3lbx h ARG 156 Cb 0.88 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.94 3lbx h ARG 156 CO -0.41 0.84 0.00 0.00 -1.07 0.00 0.00 179.97 179.33 3lbx n ALA 157 N -2.41 2.49 -0.68 0.04 0.00 -0.27 -5.11 120.51 114.58 3lbx n ALA 157 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 3lbx n ALA 157 Cb 0.78 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 19.20 3lbx n ALA 157 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78