#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo s PRO 38 N 0.00 -1.10 -0.34 1.97 0.02 -1.26 -4.97 135.00 129.33 2pyo s PRO 38 Ca 0.00 0.15 -0.18 0.00 0.02 0.00 0.00 61.00 60.99 2pyo s PRO 38 Cb 0.00 -1.59 -0.01 0.00 0.02 0.00 0.00 34.50 32.92 2pyo s PRO 38 CO 0.00 -3.67 0.51 -1.58 -0.33 0.00 0.00 177.00 171.92 2pyo s HIS 39 N -2.86 3.19 -0.09 6.54 2.46 -1.26 -5.05 115.29 118.23 2pyo s HIS 39 Ca 0.69 0.23 0.04 0.00 0.47 0.00 0.00 55.06 56.50 2pyo s HIS 39 Cb -0.13 -2.88 0.00 0.00 -0.13 0.00 0.00 32.58 29.43 2pyo s HIS 39 CO 0.57 -0.50 -0.21 1.03 -2.47 0.00 0.00 174.74 173.16 2pyo s ARG 40 N 2.37 2.66 0.39 2.88 0.52 -1.26 -5.12 118.95 121.38 2pyo s ARG 40 Ca 0.19 -0.77 -0.23 0.00 -0.52 0.00 0.00 55.73 54.39 2pyo s ARG 40 Cb -0.15 -2.07 -0.10 0.00 0.52 0.00 0.00 34.95 33.15 2pyo s ARG 40 CO 0.13 0.17 0.96 0.71 0.02 0.00 0.00 175.30 177.29 2pyo s TYR 41 N 0.33 3.45 0.52 -0.53 1.51 -1.26 -5.02 117.35 116.35 2pyo s TYR 41 Ca -0.16 1.68 -0.20 0.00 -1.01 0.00 0.00 57.07 57.39 2pyo s TYR 41 Cb -0.17 -2.90 -0.07 0.00 -0.11 0.00 0.00 41.96 38.71 2pyo s TYR 41 CO 0.07 -0.03 1.08 1.03 -1.11 0.00 0.00 175.55 176.59 2pyo s ARG 42 N -2.71 3.56 -0.11 -0.62 0.52 -1.26 -4.92 118.95 113.41 2pyo s ARG 42 Ca 0.57 1.48 -0.36 0.00 -0.52 0.00 0.00 55.73 56.90 2pyo s ARG 42 Cb -0.14 -2.05 -0.14 0.00 0.52 0.00 0.00 34.95 33.15 2pyo s ARG 42 CO 0.18 -0.66 1.77 -2.30 0.02 0.00 0.00 175.30 174.31 2pyo n PRO 43 N -1.18 1.78 0.00 3.54 -0.02 -1.26 -1.26 135.00 136.60 2pyo n PRO 43 Ca 0.10 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 2pyo n PRO 43 Cb 0.52 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 2pyo n PRO 43 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pyo n GLY 44 N 4.10 2.24 0.12 -1.23 0.00 -1.26 -4.94 105.19 104.23 2pyo n GLY 44 Ca 0.23 -0.48 -0.13 0.00 0.00 0.00 0.00 46.02 45.63 2pyo n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2pyo h THR 45 N 0.00 0.83 -0.51 2.61 2.02 -1.54 0.26 112.91 116.58 2pyo h THR 45 Ca 0.00 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 2pyo h THR 45 Cb 0.00 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2pyo h THR 45 CO 0.00 0.00 0.01 0.58 0.37 0.00 0.00 175.52 176.48 2pyo h VAL 46 N -0.23 1.25 0.36 3.16 2.07 -1.93 -1.25 116.25 119.68 2pyo h VAL 46 Ca -0.02 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 2pyo h VAL 46 Cb 0.18 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 2pyo h VAL 46 CO 0.03 0.36 -0.38 0.00 0.02 0.00 0.00 177.57 177.60 2pyo h ALA 47 N 1.23 -0.81 -0.52 1.67 0.00 -1.78 0.21 119.26 119.27 2pyo h ALA 47 Ca 0.15 -0.13 0.12 0.00 0.00 0.00 0.00 54.91 55.06 2pyo h ALA 47 Cb 0.45 0.55 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 2pyo h ALA 47 CO 0.02 -1.00 0.36 -0.07 0.00 0.00 0.00 179.25 178.56 2pyo h LEU 48 N -0.77 0.14 -0.54 0.00 3.38 -0.30 0.30 115.31 117.52 2pyo h LEU 48 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2pyo h LEU 48 Cb 0.70 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2pyo h LEU 48 CO -0.08 0.08 0.08 -0.09 0.09 0.00 0.00 178.44 178.52 2pyo h ARG 49 N 0.15 0.90 -0.45 1.13 2.43 0.18 -2.20 114.38 116.52 2pyo h ARG 49 Ca 0.24 -0.25 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2pyo h ARG 49 Cb 0.77 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 2pyo h ARG 49 CO -0.03 0.88 -0.03 0.93 -1.51 0.00 0.00 179.97 180.21 2pyo h GLU 50 N 0.78 0.82 0.06 0.20 5.08 0.26 -1.40 114.58 120.38 2pyo h GLU 50 Ca 0.16 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.27 2pyo h GLU 50 Cb 0.42 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 2pyo h GLU 50 CO 0.01 0.89 -0.25 0.82 -1.00 0.00 0.00 179.01 179.48 2pyo h ILE 51 N 0.66 0.43 -0.89 3.13 2.04 -0.98 0.30 117.51 122.20 2pyo h ILE 51 Ca 0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.06 2pyo h ILE 51 Cb 0.54 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.98 2pyo h ILE 51 CO 0.03 0.00 0.55 0.03 0.00 0.00 0.00 178.15 178.76 2pyo h ARG 52 N -0.43 0.95 -0.21 2.37 3.08 -1.27 -0.52 114.38 118.35 2pyo h ARG 52 Ca 0.05 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2pyo h ARG 52 Cb 0.48 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 2pyo h ARG 52 CO -0.18 0.63 -0.03 -0.09 -1.07 0.00 0.00 179.97 179.22 2pyo h ARG 53 N 0.98 0.39 0.00 0.04 2.43 -0.56 -2.88 114.38 114.78 2pyo h ARG 53 Ca 0.40 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 2pyo h ARG 53 Cb 0.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 2pyo h ARG 53 CO -0.19 0.61 -0.02 1.88 -1.51 0.00 0.00 179.97 180.74 2pyo h TYR 54 N 0.12 0.00 0.00 2.20 -1.99 -0.73 -2.87 116.97 113.70 2pyo h TYR 54 Ca 0.05 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 2pyo h TYR 54 Cb 0.46 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.19 2pyo h TYR 54 CO 0.05 0.00 -0.04 1.96 -0.00 0.00 0.00 178.16 180.12 2pyo h GLN 55 N 0.00 0.00 0.00 4.88 4.20 -1.10 -3.23 115.11 119.86 2pyo h GLN 55 Ca 0.00 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2pyo h GLN 55 Cb 0.86 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2pyo h GLN 55 CO 0.00 0.00 -0.94 -0.22 -0.67 0.00 0.00 178.83 177.00 2pyo h LYS 56 N 0.00 0.00 0.00 1.46 3.64 -1.28 -3.48 116.57 116.91 2pyo h LYS 56 Ca 0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 2pyo h LYS 56 Cb 0.84 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.68 2pyo h LYS 56 CO 0.00 0.19 -0.10 -1.13 -2.27 0.00 0.00 179.45 176.14 2pyo n SER 57 N -2.90 2.20 0.00 4.20 3.41 -1.16 -5.05 113.62 114.31 2pyo n SER 57 Ca -0.03 -2.58 0.00 0.00 -0.26 0.00 0.00 58.87 56.00 2pyo n SER 57 Cb 0.68 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2pyo n SER 57 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2pyo n THR 58 N -2.19 0.00 -1.37 6.66 -2.24 -1.26 -4.98 114.28 108.90 2pyo n THR 58 Ca 0.14 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.43 2pyo n THR 58 Cb 0.60 1.63 0.06 0.00 -2.10 0.00 0.00 70.33 70.53 2pyo n THR 58 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2pyo n GLU 59 N -0.04 0.45 -2.48 -0.78 0.28 -1.26 -4.94 120.64 111.87 2pyo n GLU 59 Ca 0.00 0.19 -0.38 0.00 -0.16 0.00 0.00 57.16 56.81 2pyo n GLU 59 Cb 0.16 -1.88 -0.04 0.00 1.43 0.00 0.00 31.44 31.11 2pyo n GLU 59 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2pyo s LEU 60 N -0.51 4.34 0.00 -1.84 1.43 -1.26 -4.96 118.68 115.88 2pyo s LEU 60 Ca 0.69 2.18 0.17 0.00 -1.03 0.00 0.00 54.13 56.14 2pyo s LEU 60 Cb -0.38 -3.91 -0.08 0.00 0.03 0.00 0.00 46.19 41.85 2pyo s LEU 60 CO 0.55 -0.36 0.84 0.18 0.23 0.00 0.00 176.35 177.79 2pyo n LEU 61 N 0.52 1.36 -4.77 1.79 4.77 -1.26 -4.92 117.00 114.50 2pyo n LEU 61 Ca 0.02 -0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 55.01 2pyo n LEU 61 Cb 0.47 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.49 2pyo n LEU 61 CO 0.50 0.28 -0.26 -0.63 -1.33 0.00 0.00 177.39 175.95 2pyo s ILE 62 N -2.27 4.69 0.13 -0.08 1.01 -1.26 -5.07 121.20 118.36 2pyo s ILE 62 Ca 0.11 -0.34 -0.31 0.00 0.00 0.00 0.00 60.65 60.11 2pyo s ILE 62 Cb 0.14 -3.10 -0.10 0.00 0.01 0.00 0.00 42.46 39.41 2pyo s ILE 62 CO 0.55 0.42 1.61 -0.13 0.00 0.00 0.00 174.94 177.39 2pyo s ARG 63 N -1.51 4.20 0.03 2.79 0.52 -1.26 -4.95 118.95 118.78 2pyo s ARG 63 Ca 0.20 2.37 -0.08 0.00 -0.52 0.00 0.00 55.73 57.70 2pyo s ARG 63 Cb -0.12 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 32.01 2pyo s ARG 63 CO 0.11 -0.66 1.13 0.87 0.02 0.00 0.00 175.30 176.77 2pyo h LYS 64 N 7.36 -0.08 -0.11 3.54 1.79 -1.97 -2.21 116.57 124.89 2pyo h LYS 64 Ca -0.43 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.09 2pyo h LYS 64 Cb 1.20 0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 31.81 2pyo h LYS 64 CO 0.92 -0.06 -0.40 1.25 -1.08 0.00 0.00 179.45 180.09 2pyo h LEU 65 N -0.09 -1.24 -1.04 2.94 5.85 -1.98 0.45 115.31 120.19 2pyo h LEU 65 Ca 0.02 0.17 0.22 0.00 0.84 0.00 0.00 57.88 59.12 2pyo h LEU 65 Cb 0.14 0.51 -0.11 0.00 0.37 0.00 0.00 40.66 41.57 2pyo h LEU 65 CO -0.16 -0.42 0.61 -0.65 -0.34 0.00 0.00 178.44 177.48 2pyo h PRO 66 N -0.49 0.64 -0.02 5.25 0.11 -1.96 0.22 132.00 135.76 2pyo h PRO 66 Ca 0.07 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 2pyo h PRO 66 Cb 0.62 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 2pyo h PRO 66 CO -0.37 0.43 -0.01 0.35 -0.21 0.00 0.00 178.00 178.18 2pyo h PHE 67 N 0.66 0.04 -0.66 0.65 3.57 -0.34 -2.49 116.94 118.38 2pyo h PHE 67 Ca 0.60 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.11 2pyo h PHE 67 Cb 1.07 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 2pyo h PHE 67 CO -0.00 0.43 0.44 0.37 -2.23 0.00 0.00 178.31 177.31 2pyo h GLN 68 N -0.36 0.81 -0.75 1.11 4.15 0.11 -1.02 115.11 119.17 2pyo h GLN 68 Ca 0.00 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.35 2pyo h GLN 68 Cb 0.42 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 2pyo h GLN 68 CO 0.00 0.54 0.38 0.00 -1.93 0.00 0.00 178.83 177.82 2pyo h ARG 69 N 0.84 1.06 0.30 1.69 3.08 -0.51 -2.45 114.38 118.39 2pyo h ARG 69 Ca 0.25 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 2pyo h ARG 69 Cb -0.01 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.84 2pyo h ARG 69 CO -0.06 0.81 -0.15 1.25 -1.07 0.00 0.00 179.97 180.75 2pyo h LEU 70 N 1.04 -0.34 -0.23 3.04 5.85 -0.76 -1.84 115.31 122.06 2pyo h LEU 70 Ca 0.26 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.98 2pyo h LEU 70 Cb 0.08 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 2pyo h LEU 70 CO -0.04 -0.19 -0.52 0.58 -0.34 0.00 0.00 178.44 177.93 2pyo h VAL 71 N -0.47 0.00 -0.73 1.05 2.07 -1.11 -0.91 116.25 116.15 2pyo h VAL 71 Ca -0.04 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.60 2pyo h VAL 71 Cb 0.36 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.04 2pyo h VAL 71 CO 0.07 0.00 0.33 0.03 0.02 0.00 0.00 177.57 178.02 2pyo h ARG 72 N -0.49 0.50 0.10 1.57 3.08 -1.43 0.16 114.38 117.87 2pyo h ARG 72 Ca 0.05 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.08 2pyo h ARG 72 Cb 0.62 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2pyo h ARG 72 CO -0.48 0.33 -0.18 1.49 -1.07 0.00 0.00 179.97 180.07 2pyo h GLU 73 N 0.52 -0.33 -0.60 0.04 4.81 -0.62 0.13 114.58 118.53 2pyo h GLU 73 Ca 0.39 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 2pyo h GLU 73 Cb 0.51 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 2pyo h GLU 73 CO -0.34 -0.22 0.38 0.82 -0.73 0.00 0.00 179.01 178.92 2pyo h ILE 74 N -0.34 1.17 -0.83 2.32 2.04 -0.11 -2.33 117.51 119.43 2pyo h ILE 74 Ca 0.03 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.54 2pyo h ILE 74 Cb 0.36 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2pyo h ILE 74 CO -0.10 0.17 0.53 0.00 0.00 0.00 0.00 178.15 178.75 2pyo h ALA 75 N 1.20 1.06 -0.43 1.87 0.00 -0.50 -2.47 119.26 119.98 2pyo h ALA 75 Ca 0.22 -0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.18 2pyo h ALA 75 Cb -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 2pyo h ALA 75 CO -0.04 0.50 0.48 0.37 0.00 0.00 0.00 179.25 180.55 2pyo h GLN 76 N 1.14 0.00 0.00 0.00 5.75 -0.15 0.23 115.11 122.08 2pyo h GLN 76 Ca 0.30 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.79 2pyo h GLN 76 Cb -0.09 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 2pyo h GLN 76 CO -0.06 0.00 -0.08 -0.44 -2.65 0.00 0.00 178.83 175.60 2pyo h ASP 77 N 0.00 0.00 0.10 -0.69 3.45 -1.42 -3.31 116.42 114.55 2pyo h ASP 77 Ca 0.21 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.31 2pyo h ASP 77 Cb 1.15 0.00 -0.07 0.00 -0.56 0.00 0.00 39.33 39.86 2pyo h ASP 77 CO -0.00 0.08 -2.26 0.49 -1.57 0.00 0.00 179.24 175.98 2pyo n PHE 78 N -3.13 0.22 -3.63 4.55 0.99 0.71 -4.98 117.46 112.19 2pyo n PHE 78 Ca 0.03 0.07 -0.14 0.00 -0.00 0.00 0.00 57.45 57.42 2pyo n PHE 78 Cb 0.53 -1.04 -0.07 0.00 -1.00 0.00 0.00 39.48 37.90 2pyo n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2pyo s LYS 79 N -2.51 0.83 0.28 -1.08 2.20 -0.61 -5.15 119.74 113.69 2pyo s LYS 79 Ca -0.11 0.98 -0.02 0.00 -0.36 0.00 0.00 55.97 56.45 2pyo s LYS 79 Cb 0.07 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.75 2pyo s LYS 79 CO 0.81 -0.10 0.51 0.95 -0.36 0.00 0.00 175.35 177.16 2pyo s THR 80 N 0.36 5.09 -1.32 3.43 -4.23 -1.26 -3.82 115.64 113.90 2pyo s THR 80 Ca -0.00 -0.20 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 2pyo s THR 80 Cb -0.05 -3.77 -0.00 0.00 1.34 0.00 0.00 72.50 70.02 2pyo s THR 80 CO 0.01 -0.35 0.57 -0.67 -0.54 0.00 0.00 174.62 173.64 2pyo n ASP 81 N -1.11 -1.74 -4.86 3.99 2.03 -1.26 -4.97 116.55 108.63 2pyo n ASP 81 Ca -0.03 -0.97 -0.34 0.00 0.52 0.00 0.00 54.79 53.97 2pyo n ASP 81 Cb 0.54 -3.35 -0.06 0.00 -0.72 0.00 0.00 41.12 37.54 2pyo n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2pyo s LEU 82 N -6.78 4.23 0.26 -2.67 1.43 -1.26 -5.09 118.68 108.81 2pyo s LEU 82 Ca 0.12 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.36 2pyo s LEU 82 Cb -0.04 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 2pyo s LEU 82 CO 0.87 -0.01 0.03 -0.13 0.23 0.00 0.00 176.35 177.33 2pyo s ARG 83 N -2.44 2.40 -0.04 1.70 0.52 -1.26 -5.11 118.95 114.73 2pyo s ARG 83 Ca 0.44 -1.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.31 2pyo s ARG 83 Cb -0.13 -2.23 0.01 0.00 0.52 0.00 0.00 34.95 33.12 2pyo s ARG 83 CO 0.20 0.37 -0.07 -0.06 0.02 0.00 0.00 175.30 175.76 2pyo s PHE 84 N -2.29 0.87 0.64 -0.53 0.40 -1.26 -5.12 117.98 110.70 2pyo s PHE 84 Ca 0.32 -0.24 -0.17 0.00 -0.60 0.00 0.00 56.93 56.23 2pyo s PHE 84 Cb -0.07 -0.69 -0.01 0.00 0.51 0.00 0.00 43.02 42.77 2pyo s PHE 84 CO 0.21 -0.16 1.17 -0.65 0.70 0.00 0.00 175.22 176.50 2pyo s GLN 85 N 0.57 2.72 0.42 0.44 -0.21 -1.26 -4.87 119.66 117.47 2pyo s GLN 85 Ca -0.08 1.68 0.17 0.00 0.02 0.00 0.00 55.36 57.14 2pyo s GLN 85 Cb -0.12 -1.91 0.95 0.00 1.00 0.00 0.00 33.01 32.93 2pyo s GLN 85 CO 0.01 -1.36 1.91 0.66 -2.12 0.00 0.00 175.29 174.38 2pyo h SER 86 N 0.36 0.00 0.46 5.90 4.64 -2.00 -2.38 113.55 120.53 2pyo h SER 86 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.68 2pyo h SER 86 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.36 2pyo h SER 86 CO 0.53 0.27 -0.67 0.77 -0.87 0.00 0.00 176.83 176.86 2pyo h SER 87 N 0.00 0.22 0.25 4.97 4.64 -1.99 -2.32 113.55 119.32 2pyo h SER 87 Ca -0.00 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2pyo h SER 87 Cb 0.53 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2pyo h SER 87 CO 0.04 0.83 -0.12 0.00 -0.87 0.00 0.00 176.83 176.70 2pyo h ALA 88 N 1.17 -0.33 -0.32 5.18 0.00 -1.79 0.12 119.26 123.29 2pyo h ALA 88 Ca -0.01 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2pyo h ALA 88 Cb 1.20 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 2pyo h ALA 88 CO 0.10 -0.64 0.23 0.28 0.00 0.00 0.00 179.25 179.23 2pyo h VAL 89 N -0.43 0.82 -0.05 0.00 2.07 -1.51 -0.74 116.25 116.41 2pyo h VAL 89 Ca -0.03 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 67.26 2pyo h VAL 89 Cb 0.33 0.84 0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pyo h VAL 89 CO 0.06 0.00 -0.88 0.24 0.02 0.00 0.00 177.57 177.01 2pyo h MET 90 N 0.00 0.55 -0.39 1.57 2.86 -0.70 -2.52 114.93 116.31 2pyo h MET 90 Ca 0.15 -0.52 -0.03 0.00 -2.06 0.00 0.00 59.70 57.24 2pyo h MET 90 Cb 0.62 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 2pyo h MET 90 CO -0.00 1.15 0.14 0.00 1.06 0.00 0.00 176.91 179.26 2pyo h ALA 91 N 0.68 0.50 -0.80 6.32 0.00 0.60 -1.25 119.26 125.32 2pyo h ALA 91 Ca -0.07 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2pyo h ALA 91 Cb 1.50 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 2pyo h ALA 91 CO 0.16 0.12 0.53 -0.07 0.00 0.00 0.00 179.25 179.99 2pyo h LEU 92 N 0.48 0.88 -0.34 0.00 3.38 -1.27 -0.06 115.31 118.37 2pyo h LEU 92 Ca 0.13 -0.02 -0.19 0.00 0.09 0.00 0.00 57.88 57.89 2pyo h LEU 92 Cb 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2pyo h LEU 92 CO -0.01 0.63 -0.73 -0.61 0.09 0.00 0.00 178.44 177.81 2pyo h GLN 93 N 1.03 0.52 -0.69 1.13 4.15 -1.17 -0.30 115.11 119.80 2pyo h GLN 93 Ca 0.30 -0.42 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 2pyo h GLN 93 Cb -0.05 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2pyo h GLN 93 CO -0.08 1.05 0.16 0.93 -1.93 0.00 0.00 178.83 178.96 2pyo h GLU 94 N 0.36 1.10 -0.14 1.69 4.39 -0.54 -1.85 114.58 119.58 2pyo h GLU 94 Ca -0.03 -0.26 -0.22 0.00 0.34 0.00 0.00 59.36 59.19 2pyo h GLU 94 Cb 1.32 -0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.83 2pyo h GLU 94 CO 0.13 0.98 -0.77 0.00 -1.16 0.00 0.00 179.01 178.19 2pyo h ALA 95 N 1.12 0.37 -0.42 3.43 0.00 -0.96 -2.35 119.26 120.46 2pyo h ALA 95 Ca 0.22 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2pyo h ALA 95 Cb 0.38 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2pyo h ALA 95 CO 0.00 0.70 0.15 0.77 0.00 0.00 0.00 179.25 180.87 2pyo h SER 96 N 0.49 0.59 0.07 0.00 0.02 -0.92 0.24 113.55 114.05 2pyo h SER 96 Ca -0.05 -0.19 -0.22 0.00 -0.84 0.00 0.00 61.79 60.49 2pyo h SER 96 Cb 1.39 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.78 2pyo h SER 96 CO 0.15 0.62 -0.84 -0.33 -1.14 0.00 0.00 176.83 175.30 2pyo h GLU 97 N 0.53 0.61 -0.68 3.45 5.08 -1.40 -0.31 114.58 121.86 2pyo h GLU 97 Ca 0.14 -0.54 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2pyo h GLU 97 Cb 0.23 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.58 2pyo h GLU 97 CO -0.01 1.16 0.32 0.00 -1.00 0.00 0.00 179.01 179.49 2pyo h ALA 98 N 0.67 0.87 0.12 3.43 0.00 -1.31 0.93 119.26 123.98 2pyo h ALA 98 Ca -0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2pyo h ALA 98 Cb 1.46 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pyo h ALA 98 CO 0.16 0.44 -0.06 -0.92 0.00 0.00 0.00 179.25 178.87 2pyo h TYR 99 N 0.94 -0.15 -0.06 0.00 3.20 -0.78 -0.69 116.97 119.42 2pyo h TYR 99 Ca 0.23 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 2pyo h TYR 99 Cb 0.13 0.05 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 2pyo h TYR 99 CO 0.01 -0.09 0.04 -0.07 -1.64 0.00 0.00 178.16 176.40 2pyo h LEU 100 N -0.18 0.08 -0.43 2.82 3.38 -0.64 -0.56 115.31 119.77 2pyo h LEU 100 Ca -0.02 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.97 2pyo h LEU 100 Cb 0.14 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.80 2pyo h LEU 100 CO 0.03 0.12 0.02 0.58 0.09 0.00 0.00 178.44 179.28 2pyo h VAL 101 N 0.03 0.68 -0.47 1.22 2.07 -0.74 0.27 116.25 119.30 2pyo h VAL 101 Ca 0.02 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2pyo h VAL 101 Cb 0.06 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2pyo h VAL 101 CO -0.00 0.02 0.27 1.23 0.02 0.00 0.00 177.57 179.11 2pyo h GLY 102 N 0.13 0.68 1.71 2.17 0.00 -0.80 -1.25 103.07 105.71 2pyo h GLY 102 Ca 0.22 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 47.09 2pyo h GLY 102 CO -0.34 0.27 -0.71 -2.00 0.00 0.00 0.00 176.54 173.75 2pyo h LEU 103 N 0.65 0.33 -1.05 3.11 5.85 0.85 -2.74 115.31 122.31 2pyo h LEU 103 Ca 0.17 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2pyo h LEU 103 Cb 0.00 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2pyo h LEU 103 CO -0.03 0.94 -0.31 -0.26 -0.34 0.00 0.00 178.44 178.44 2pyo h PHE 104 N 0.19 0.32 -0.34 1.25 0.05 0.37 -0.43 116.94 118.35 2pyo h PHE 104 Ca -0.02 -0.07 -0.04 0.00 3.82 0.00 0.00 57.97 61.66 2pyo h PHE 104 Cb 1.27 -0.08 -0.01 0.00 2.00 0.00 0.00 35.95 39.13 2pyo h PHE 104 CO 0.03 0.57 0.06 0.93 -0.18 0.00 0.00 178.31 179.73 2pyo h GLU 105 N 0.25 0.56 -0.51 1.51 5.08 -0.98 0.55 114.58 121.04 2pyo h GLU 105 Ca 0.03 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2pyo h GLU 105 Cb 0.68 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2pyo h GLU 105 CO 0.05 0.63 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.16 2pyo h ASP 106 N 0.40 0.93 -0.46 1.42 3.32 -1.31 -2.37 116.42 118.35 2pyo h ASP 106 Ca 0.10 -0.29 -0.06 0.00 0.02 0.00 0.00 57.03 56.81 2pyo h ASP 106 Cb 0.33 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2pyo h ASP 106 CO 0.00 1.04 0.10 0.74 -1.72 0.00 0.00 179.24 179.40 2pyo h THR 107 N 0.84 1.23 -0.64 0.35 2.02 -0.88 -1.59 112.91 114.24 2pyo h THR 107 Ca 0.14 -0.86 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 2pyo h THR 107 Cb 0.62 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2pyo h THR 107 CO 0.04 0.31 0.10 -1.13 0.37 0.00 0.00 175.52 175.21 2pyo h ASN 108 N 0.78 1.03 -0.13 4.18 -1.24 -0.62 -0.63 115.58 118.95 2pyo h ASN 108 Ca 0.17 -0.26 -0.05 0.00 0.71 0.00 0.00 56.30 56.86 2pyo h ASN 108 Cb 0.33 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 2pyo h ASN 108 CO 0.00 1.03 -0.07 -0.07 -1.29 0.00 0.00 177.43 177.04 2pyo h LEU 109 N 0.98 0.40 -0.68 0.34 3.38 -0.90 -1.06 115.31 117.77 2pyo h LEU 109 Ca 0.19 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2pyo h LEU 109 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2pyo h LEU 109 CO 0.01 0.52 -0.56 0.00 0.09 0.00 0.00 178.44 178.50 2pyo h ALA 111 N 1.19 0.58 0.00 0.00 0.00 -0.49 -2.86 119.26 117.68 2pyo h ALA 111 Ca 0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 2pyo h ALA 111 Cb 1.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2pyo h ALA 111 CO 0.09 0.40 -0.42 0.82 0.00 0.00 0.00 179.25 180.14 2pyo h ILE 112 N 0.61 1.10 0.00 0.00 2.04 -1.07 -0.36 117.51 119.84 2pyo h ILE 112 Ca 0.12 -1.54 -0.07 0.00 1.00 0.00 0.00 64.86 64.37 2pyo h ILE 112 Cb 0.54 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 38.49 2pyo h ILE 112 CO 0.03 0.41 -0.33 -0.74 0.00 0.00 0.00 178.15 177.52 2pyo h HIS 113 N 0.00 0.00 -0.33 1.37 2.76 -0.93 -0.73 115.15 117.29 2pyo h HIS 113 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2pyo h HIS 113 Cb 0.84 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.80 2pyo h HIS 113 CO 0.00 0.33 0.00 0.00 -1.30 0.00 0.00 177.93 176.96 2pyo n ALA 114 N -2.43 2.62 -3.39 5.26 0.00 -0.89 -4.89 120.51 116.79 2pyo n ALA 114 Ca -0.02 -0.68 -0.22 0.00 0.00 0.00 0.00 53.44 52.52 2pyo n ALA 114 Cb 0.38 -0.99 0.06 0.00 0.00 0.00 0.00 19.45 18.90 2pyo n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pyo n LYS 115 N 0.46 -6.78 -4.75 0.00 5.02 -0.28 -5.01 118.16 106.83 2pyo n LYS 115 Ca 0.12 0.81 -0.33 0.00 -2.02 0.00 0.00 58.31 56.88 2pyo n LYS 115 Cb 0.39 -5.69 -0.07 0.00 -0.02 0.00 0.00 35.03 29.64 2pyo n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pyo s ARG 116 N -6.08 2.22 0.00 1.97 0.52 -0.19 -5.00 118.95 112.39 2pyo s ARG 116 Ca 0.48 -2.43 0.00 0.00 -0.52 0.00 0.00 55.73 53.27 2pyo s ARG 116 Cb -0.21 -1.54 0.00 0.00 0.52 0.00 0.00 34.95 33.72 2pyo s ARG 116 CO 0.60 -0.41 0.13 1.33 0.02 0.00 0.00 175.30 176.97 2pyo n VAL 117 N -1.32 0.01 -3.92 3.52 0.24 -1.26 -3.70 118.33 111.90 2pyo n VAL 117 Ca -0.20 -0.10 -0.35 0.00 -2.04 0.00 0.00 64.34 61.64 2pyo n VAL 117 Cb 0.67 1.75 -0.13 0.00 -1.47 0.00 0.00 33.84 34.66 2pyo n VAL 117 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 2pyo s THR 118 N -0.01 3.98 0.20 3.34 2.01 -1.26 -5.03 115.64 118.87 2pyo s THR 118 Ca 0.00 -0.29 -0.30 0.00 0.31 0.00 0.00 61.69 61.41 2pyo s THR 118 Cb 0.00 -2.83 -0.08 0.00 0.01 0.00 0.00 72.50 69.60 2pyo s THR 118 CO 0.00 0.39 0.99 0.27 -0.69 0.00 0.00 174.62 175.58 2pyo s ILE 119 N 1.31 4.08 0.32 1.82 -4.36 -1.26 -4.87 121.20 118.24 2pyo s ILE 119 Ca 0.04 1.95 0.06 0.00 -0.26 0.00 0.00 60.65 62.44 2pyo s ILE 119 Cb -0.15 -4.24 -0.06 0.00 1.25 0.00 0.00 42.46 39.26 2pyo s ILE 119 CO 0.01 0.41 -0.01 -0.04 0.24 0.00 0.00 174.94 175.55 2pyo s MET 120 N -0.80 1.67 0.34 0.37 -1.94 -1.26 -5.01 119.30 112.66 2pyo s MET 120 Ca 0.44 -1.89 0.07 0.00 -1.71 0.00 0.00 55.69 52.59 2pyo s MET 120 Cb -0.26 -1.16 0.74 0.00 2.01 0.00 0.00 34.83 36.15 2pyo s MET 120 CO 0.33 -0.05 1.87 -1.35 -0.01 0.00 0.00 175.02 175.81 2pyo h PRO 121 N 2.12 0.76 0.00 2.03 0.11 -2.00 0.17 132.00 135.19 2pyo h PRO 121 Ca -0.41 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2pyo h PRO 121 Cb 1.24 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 2pyo h PRO 121 CO 0.71 0.50 -0.12 1.57 -0.21 0.00 0.00 178.00 180.45 2pyo h LYS 122 N 0.78 0.00 -0.21 1.05 2.10 -1.98 0.46 116.57 118.77 2pyo h LYS 122 Ca 0.45 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.95 2pyo h LYS 122 Cb 0.62 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.95 2pyo h LYS 122 CO -0.21 0.12 -0.45 -0.44 -2.00 0.00 0.00 179.45 176.46 2pyo h ASP 123 N 0.00 0.76 -0.50 7.07 3.32 -1.03 -0.58 116.42 125.45 2pyo h ASP 123 Ca -0.00 -0.56 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 2pyo h ASP 123 Cb 0.35 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2pyo h ASP 123 CO 0.02 1.18 0.02 0.40 -1.72 0.00 0.00 179.24 179.13 2pyo h ILE 124 N 0.37 1.25 0.13 0.35 2.04 -1.08 -1.67 117.51 118.91 2pyo h ILE 124 Ca 0.00 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2pyo h ILE 124 Cb 1.06 0.81 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2pyo h ILE 124 CO 0.10 0.38 -0.06 1.56 0.00 0.00 0.00 178.15 180.13 2pyo h GLN 125 N 0.86 -0.17 -0.67 2.37 4.20 -0.82 -1.57 115.11 119.31 2pyo h GLN 125 Ca 0.16 0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.91 2pyo h GLN 125 Cb 0.49 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 2pyo h GLN 125 CO 0.02 0.04 0.42 1.25 -0.67 0.00 0.00 178.83 179.89 2pyo h LEU 126 N -0.36 0.69 -0.47 1.46 5.85 -0.97 -1.12 115.31 120.39 2pyo h LEU 126 Ca -0.02 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2pyo h LEU 126 Cb 0.29 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 2pyo h LEU 126 CO 0.03 0.48 0.27 0.00 -0.34 0.00 0.00 178.44 178.88 2pyo h ALA 127 N 1.29 0.60 -0.40 1.25 0.00 -1.17 -1.09 119.26 119.75 2pyo h ALA 127 Ca 0.27 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2pyo h ALA 127 Cb 0.02 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2pyo h ALA 127 CO -0.11 0.10 -0.07 0.00 0.00 0.00 0.00 179.25 179.18 2pyo h ARG 128 N 0.62 0.67 -0.33 0.00 3.08 -0.94 -1.43 114.38 116.05 2pyo h ARG 128 Ca 0.17 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2pyo h ARG 128 Cb 0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2pyo h ARG 128 CO -0.03 0.74 0.06 -0.09 -1.07 0.00 0.00 179.97 179.58 2pyo h ARG 129 N 0.62 0.53 0.00 0.04 9.65 -0.87 -0.85 114.38 123.51 2pyo h ARG 129 Ca 0.12 -0.14 -0.08 0.00 -1.10 0.00 0.00 59.98 58.78 2pyo h ARG 129 Cb 0.49 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2pyo h ARG 129 CO 0.03 0.61 -0.39 0.82 2.80 0.00 0.00 179.97 183.83 2pyo h ILE 130 N 0.37 1.21 0.00 1.20 2.04 -1.03 -2.42 117.51 118.89 2pyo h ILE 130 Ca 0.10 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.58 2pyo h ILE 130 Cb 0.33 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.17 2pyo h ILE 130 CO 0.00 0.39 0.00 0.54 0.00 0.00 0.00 178.15 179.08 2pyo n ARG 131 N -3.96 0.20 -0.51 2.37 1.74 -0.56 -4.91 116.66 111.04 2pyo n ARG 131 Ca -0.02 0.25 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 2pyo n ARG 131 Cb 0.44 -1.78 0.00 0.00 -1.02 0.00 0.00 32.46 30.10 2pyo n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pyo n GLY 132 N 0.91 0.74 0.11 -0.13 0.00 -0.86 -4.94 105.19 101.01 2pyo n GLY 132 Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 2pyo n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2pyo h GLU 133 N 2.12 0.21 0.00 1.61 5.08 -1.41 -3.34 114.58 118.86 2pyo h GLU 133 Ca 0.00 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 57.94 2pyo h GLU 133 Cb 0.00 0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2pyo h GLU 133 CO 0.00 1.05 -1.86 -2.13 -1.00 0.00 0.00 179.01 175.06 2pyo n ARG 134 N -3.40 0.65 0.00 2.33 0.63 -1.00 -4.98 116.66 110.89 2pyo n ARG 134 Ca -0.18 -0.10 0.15 0.00 -0.92 0.00 0.00 57.85 56.80 2pyo n ARG 134 Cb 1.04 -1.58 0.72 0.00 0.45 0.00 0.00 32.46 33.09 2pyo n ARG 134 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12