#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo n LYS 16 N 0.00 0.09 -1.71 0.00 5.02 -1.26 -4.81 118.16 115.50 2pyo n LYS 16 Ca 0.00 0.58 -0.30 0.00 -2.02 0.00 0.00 58.31 56.57 2pyo n LYS 16 Cb 0.00 -1.88 0.07 0.00 -0.02 0.00 0.00 35.03 33.20 2pyo n LYS 16 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pyo s ARG 17 N -3.34 2.40 -0.70 1.97 0.52 -1.26 -4.30 118.95 114.25 2pyo s ARG 17 Ca -0.02 0.54 -0.18 0.00 -0.52 0.00 0.00 55.73 55.55 2pyo s ARG 17 Cb 0.04 -1.96 0.03 0.00 0.52 0.00 0.00 34.95 33.57 2pyo s ARG 17 CO 0.13 -1.37 0.35 0.72 0.02 0.00 0.00 175.30 175.14 2pyo n HIS 18 N -3.25 -0.75 -1.40 -0.53 8.25 -1.26 -4.76 115.22 111.52 2pyo n HIS 18 Ca 0.07 0.05 -0.44 0.00 -0.26 0.00 0.00 57.72 57.14 2pyo n HIS 18 Cb 0.57 -1.54 -0.01 0.00 1.12 0.00 0.00 29.99 30.13 2pyo n HIS 18 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 2pyo n ARG 19 N -3.25 0.30 -1.67 -0.41 0.63 -1.26 -4.73 116.66 106.27 2pyo n ARG 19 Ca -0.07 0.11 -0.45 0.00 -0.92 0.00 0.00 57.85 56.52 2pyo n ARG 19 Cb 0.32 -1.23 -0.03 0.00 0.45 0.00 0.00 32.46 31.97 2pyo n ARG 19 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2pyo n LYS 20 N 0.96 2.00 -3.20 -0.14 4.01 -1.26 -4.93 118.16 115.59 2pyo n LYS 20 Ca 0.13 0.71 -0.39 0.00 -0.51 0.00 0.00 58.31 58.25 2pyo n LYS 20 Cb 0.35 -2.36 -0.05 0.00 -0.51 0.00 0.00 35.03 32.46 2pyo n LYS 20 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2pyo s VAL 21 N -0.13 5.01 -0.31 -0.18 1.01 -1.26 -5.03 120.40 119.51 2pyo s VAL 21 Ca 0.68 1.22 -0.15 0.00 0.00 0.00 0.00 61.98 63.72 2pyo s VAL 21 Cb -0.65 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 31.78 2pyo s VAL 21 CO 0.50 0.36 0.38 -0.76 0.00 0.00 0.00 175.10 175.58 2pyo s LEU 22 N 0.22 4.27 -0.13 3.92 1.43 -1.26 -5.04 118.68 122.09 2pyo s LEU 22 Ca 0.31 -0.01 -0.19 0.00 -1.03 0.00 0.00 54.13 53.21 2pyo s LEU 22 Cb -0.17 -2.39 0.05 0.00 0.03 0.00 0.00 46.19 43.70 2pyo s LEU 22 CO 0.16 -0.29 0.48 0.00 0.23 0.00 0.00 176.35 176.92 2pyo s ARG 23 N 2.08 0.67 -1.54 1.70 1.70 -1.26 -4.93 118.95 117.36 2pyo s ARG 23 Ca 0.14 0.43 0.00 0.00 -0.47 0.00 0.00 55.73 55.82 2pyo s ARG 23 Cb -0.16 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.53 2pyo s ARG 23 CO 0.11 -0.13 0.00 -3.47 -1.08 0.00 0.00 175.30 170.73 2pyo n ASP 24 N 2.19 -4.78 0.29 -2.89 2.03 -1.26 -4.88 116.55 107.26 2pyo n ASP 24 Ca -0.16 0.27 0.18 0.00 0.52 0.00 0.00 54.79 55.60 2pyo n ASP 24 Cb 0.57 -3.70 0.86 0.00 -0.72 0.00 0.00 41.12 38.13 2pyo n ASP 24 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2pyo h ASN 25 N 0.00 0.00 0.00 1.67 2.35 -2.00 -1.81 115.58 115.79 2pyo h ASN 25 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 2pyo h ASN 25 Cb 1.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2pyo h ASN 25 CO 0.45 0.04 0.02 -0.29 -1.65 0.00 0.00 177.43 176.00 2pyo h ILE 26 N 0.00 0.00 -0.02 2.81 6.09 -1.98 0.59 117.51 125.00 2pyo h ILE 26 Ca -0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2pyo h ILE 26 Cb 0.31 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.33 2pyo h ILE 26 CO 0.01 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.09 2pyo n GLN 27 N -2.67 1.32 0.16 2.19 1.13 -0.68 -2.66 117.38 116.16 2pyo n GLN 27 Ca -0.02 -0.46 0.03 0.00 -1.94 0.00 0.00 57.00 54.60 2pyo n GLN 27 Cb 0.07 -1.46 0.19 0.00 0.11 0.00 0.00 30.24 29.15 2pyo n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 2pyo h GLY 28 N 4.98 0.00 -7.23 1.08 0.00 0.02 -3.36 103.07 98.56 2pyo h GLY 28 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.82 2pyo h GLY 28 CO 0.00 0.00 1.22 -0.42 0.00 0.00 0.00 176.54 177.34 2pyo s ILE 29 N -3.34 3.72 0.86 2.60 -1.09 -1.09 -4.96 121.20 117.90 2pyo s ILE 29 Ca 0.01 -0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 57.99 2pyo s ILE 29 Cb 0.10 -4.69 0.10 0.00 -1.58 0.00 0.00 42.46 36.40 2pyo s ILE 29 CO 0.72 -1.60 1.12 0.42 -1.23 0.00 0.00 174.94 174.37 2pyo s THR 30 N 6.66 2.44 0.18 2.92 -4.23 -1.26 -4.83 115.64 117.53 2pyo s THR 30 Ca 0.51 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 61.04 2pyo s THR 30 Cb -0.04 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.97 2pyo s THR 30 CO 0.01 -0.19 1.82 0.50 -0.54 0.00 0.00 174.62 176.22 2pyo h LYS 31 N -1.29 0.81 -0.41 3.99 3.64 -1.92 0.06 116.57 121.45 2pyo h LYS 31 Ca -0.49 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.77 2pyo h LYS 31 Cb 1.31 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 2pyo h LYS 31 CO 0.61 0.57 0.03 -1.35 -2.27 0.00 0.00 179.45 177.04 2pyo h PRO 32 N 0.81 0.63 -0.29 1.90 0.11 -1.99 0.23 132.00 133.40 2pyo h PRO 32 Ca 0.21 -0.14 -0.16 0.00 0.11 0.00 0.00 66.00 66.03 2pyo h PRO 32 Cb -0.03 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 30.98 2pyo h PRO 32 CO -0.04 0.63 -0.43 0.00 -0.21 0.00 0.00 178.00 177.95 2pyo h ALA 33 N 1.43 0.44 -0.58 -0.75 0.00 -1.77 -1.74 119.26 116.29 2pyo h ALA 33 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2pyo h ALA 33 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2pyo h ALA 33 CO 0.01 0.57 0.05 0.82 0.00 0.00 0.00 179.25 180.70 2pyo h ILE 34 N 0.56 1.25 -0.73 0.00 2.04 -0.69 -2.18 117.51 117.78 2pyo h ILE 34 Ca 0.03 -1.03 0.02 0.00 1.00 0.00 0.00 64.86 64.88 2pyo h ILE 34 Cb 1.03 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2pyo h ILE 34 CO 0.10 0.38 0.47 -0.09 0.00 0.00 0.00 178.15 179.00 2pyo h ARG 35 N 0.90 0.91 -0.36 2.37 2.43 -0.82 -1.39 114.38 118.42 2pyo h ARG 35 Ca 0.18 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2pyo h ARG 35 Cb 0.45 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 2pyo h ARG 35 CO 0.02 0.60 0.19 0.00 -1.51 0.00 0.00 179.97 179.27 2pyo h ARG 36 N 0.94 0.51 -0.73 0.20 3.08 -0.85 -0.54 114.38 116.99 2pyo h ARG 36 Ca 0.28 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.27 2pyo h ARG 36 Cb -0.05 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 2pyo h ARG 36 CO -0.08 0.44 0.47 -0.07 -1.07 0.00 0.00 179.97 179.66 2pyo h LEU 37 N 0.46 0.85 -1.03 3.04 3.38 -1.07 0.11 115.31 121.05 2pyo h LEU 37 Ca 0.13 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2pyo h LEU 37 Cb 0.08 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2pyo h LEU 37 CO -0.02 0.62 0.43 0.00 0.09 0.00 0.00 178.44 179.56 2pyo h ALA 38 N 1.26 1.25 -0.18 1.53 0.00 -0.95 -0.40 119.26 121.77 2pyo h ALA 38 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2pyo h ALA 38 Cb -0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2pyo h ALA 38 CO -0.06 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.85 2pyo h ARG 39 N 1.11 0.28 -0.03 0.00 2.47 0.02 0.92 114.38 119.15 2pyo h ARG 39 Ca 0.28 -0.06 0.01 0.00 -1.26 0.00 0.00 59.98 58.95 2pyo h ARG 39 Cb 0.04 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2pyo h ARG 39 CO -0.04 0.40 0.04 -0.09 0.56 0.00 0.00 179.97 180.83 2pyo h ARG 40 N 0.11 0.00 -0.07 0.04 2.43 -0.50 0.56 114.38 116.95 2pyo h ARG 40 Ca 0.06 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2pyo h ARG 40 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2pyo h ARG 40 CO -0.00 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.87 2pyo n GLY 41 N -1.33 -0.28 1.57 2.80 0.00 0.10 -4.90 105.19 103.15 2pyo n GLY 41 Ca -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2pyo n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pyo n GLY 42 N 1.03 0.56 3.68 -0.02 0.00 0.19 -5.03 105.19 105.60 2pyo n GLY 42 Ca 0.17 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.31 2pyo n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pyo s VAL 43 N -2.00 4.94 -0.11 1.61 1.01 0.03 -4.97 120.40 120.90 2pyo s VAL 43 Ca 0.00 1.54 -0.11 0.00 0.00 0.00 0.00 61.98 63.41 2pyo s VAL 43 Cb 0.00 -4.09 -0.27 0.00 0.00 0.00 0.00 36.38 32.02 2pyo s VAL 43 CO 0.00 0.09 0.46 0.50 0.00 0.00 0.00 175.10 176.15 2pyo h LYS 44 N 7.22 0.27 -4.48 2.72 3.64 -1.95 -3.38 116.57 120.61 2pyo h LYS 44 Ca -0.33 -0.46 -0.45 0.00 -1.27 0.00 0.00 60.65 58.14 2pyo h LYS 44 Cb 1.15 0.17 -0.32 0.00 -0.41 0.00 0.00 32.23 32.82 2pyo h LYS 44 CO 0.81 1.22 -0.79 0.50 -2.27 0.00 0.00 179.45 178.92 2pyo s ARG 45 N -2.53 1.13 -0.20 1.90 3.52 -1.26 -5.12 118.95 116.39 2pyo s ARG 45 Ca -0.21 -0.30 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 2pyo s ARG 45 Cb 0.06 -1.02 0.03 0.00 -1.56 0.00 0.00 34.95 32.45 2pyo s ARG 45 CO 0.77 0.06 -0.17 0.42 -0.81 0.00 0.00 175.30 175.57 2pyo s ILE 46 N 0.45 2.15 0.54 4.11 1.01 -1.26 -5.12 121.20 123.08 2pyo s ILE 46 Ca -0.08 -1.07 -0.22 0.00 0.00 0.00 0.00 60.65 59.29 2pyo s ILE 46 Cb -0.12 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 2pyo s ILE 46 CO 0.01 0.41 1.33 -0.55 0.00 0.00 0.00 174.94 176.15 2pyo s SER 47 N 1.26 5.38 0.56 3.58 0.15 -1.26 -4.91 113.70 118.47 2pyo s SER 47 Ca 0.02 2.70 0.26 0.00 0.70 0.00 0.00 55.95 59.64 2pyo s SER 47 Cb -0.15 -2.63 1.49 0.00 -1.71 0.00 0.00 66.02 63.02 2pyo s SER 47 CO -0.11 -1.49 2.02 1.23 1.20 0.00 0.00 173.24 176.10 2pyo h GLY 48 N 1.53 0.00 0.58 9.45 0.00 -2.06 -1.99 103.07 110.58 2pyo h GLY 48 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2pyo h GLY 48 CO 0.58 0.00 -0.08 1.04 0.00 0.00 0.00 176.54 178.08 2pyo n LEU 49 N -4.08 0.65 0.05 3.11 4.77 -1.26 -4.05 117.00 116.19 2pyo n LEU 49 Ca 0.06 -0.12 -0.01 0.00 -0.03 0.00 0.00 56.01 55.91 2pyo n LEU 49 Cb 0.49 -0.11 0.28 0.00 -2.33 0.00 0.00 43.42 41.75 2pyo n LEU 49 CO 0.32 0.11 0.82 0.40 -1.33 0.00 0.00 177.39 177.72 2pyo h ILE 50 N 0.89 1.23 0.06 -0.08 1.08 -1.72 -3.06 117.51 115.91 2pyo h ILE 50 Ca 0.00 -1.03 -0.00 0.00 -0.39 0.00 0.00 64.86 63.44 2pyo h ILE 50 Cb 0.34 1.24 -0.00 0.00 -3.07 0.00 0.00 36.82 35.32 2pyo h ILE 50 CO 0.00 0.33 -0.04 1.88 -0.69 0.00 0.00 178.15 179.62 2pyo h TYR 51 N 0.37 -0.11 -0.27 1.37 -1.99 -1.78 -0.43 116.97 114.12 2pyo h TYR 51 Ca 0.07 -0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.68 2pyo h TYR 51 Cb 0.51 0.04 -0.01 0.00 2.00 0.00 0.00 36.73 39.27 2pyo h TYR 51 CO 0.01 -0.07 -0.32 0.93 -0.00 0.00 0.00 178.16 178.71 2pyo h GLU 52 N -0.11 0.58 -0.50 4.88 4.39 -1.84 -1.79 114.58 120.19 2pyo h GLU 52 Ca -0.00 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.44 2pyo h GLU 52 Cb 0.10 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2pyo h GLU 52 CO -0.00 0.83 0.30 1.49 -1.16 0.00 0.00 179.01 180.47 2pyo h GLU 53 N 0.49 0.68 -0.18 2.33 4.57 -1.41 -1.42 114.58 119.65 2pyo h GLU 53 Ca 0.06 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2pyo h GLU 53 Cb 0.79 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2pyo h GLU 53 CO 0.06 0.50 0.09 1.15 -1.18 0.00 0.00 179.01 179.63 2pyo h THR 54 N 0.67 1.13 -0.82 0.32 2.02 -0.85 0.36 112.91 115.74 2pyo h THR 54 Ca 0.18 -0.39 0.09 0.00 0.77 0.00 0.00 66.41 67.06 2pyo h THR 54 Cb -0.01 1.06 -0.07 0.00 -1.74 0.00 0.00 68.15 67.39 2pyo h THR 54 CO -0.03 0.13 0.47 0.03 0.37 0.00 0.00 175.52 176.49 2pyo h ARG 55 N 0.16 0.78 -0.37 6.66 3.08 -1.15 0.40 114.38 123.95 2pyo h ARG 55 Ca 0.06 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 2pyo h ARG 55 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.98 2pyo h ARG 55 CO -0.01 0.52 0.16 0.78 -1.07 0.00 0.00 179.97 180.35 2pyo h GLY 56 N 0.81 0.57 0.96 0.04 0.00 -0.66 -0.38 103.07 104.41 2pyo h GLY 56 Ca 0.39 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 47.40 2pyo h GLY 56 CO -0.23 0.28 0.20 -2.08 0.00 0.00 0.00 176.54 174.71 2pyo h VAL 57 N 0.45 1.18 -0.82 4.60 2.07 -0.22 -1.98 116.25 121.53 2pyo h VAL 57 Ca 0.12 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.14 2pyo h VAL 57 Cb 0.15 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 2pyo h VAL 57 CO -0.01 0.19 0.52 0.25 0.02 0.00 0.00 177.57 178.54 2pyo h LEU 58 N 0.53 0.97 -0.59 2.57 5.85 0.05 -2.35 115.31 122.34 2pyo h LEU 58 Ca 0.14 -0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.82 2pyo h LEU 58 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 2pyo h LEU 58 CO -0.02 0.73 0.39 0.50 -0.34 0.00 0.00 178.44 179.70 2pyo h LYS 59 N 1.12 0.78 -0.32 1.25 3.64 -0.75 0.81 116.57 123.09 2pyo h LYS 59 Ca 0.30 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2pyo h LYS 59 Cb -0.09 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.54 2pyo h LYS 59 CO -0.06 0.51 0.18 0.28 -2.27 0.00 0.00 179.45 178.10 2pyo h VAL 60 N 0.80 1.13 0.21 2.00 2.07 -1.10 -1.10 116.25 120.26 2pyo h VAL 60 Ca 0.22 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.43 2pyo h VAL 60 Cb -0.09 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 2pyo h VAL 60 CO -0.05 0.13 -0.36 0.15 0.02 0.00 0.00 177.57 177.46 2pyo h PHE 61 N 0.41 -0.99 -0.96 1.57 3.57 -0.91 -2.16 116.94 117.47 2pyo h PHE 61 Ca 0.11 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.68 2pyo h PHE 61 Cb 0.04 0.41 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 2pyo h PHE 61 CO -0.03 -0.48 0.63 -0.07 -2.23 0.00 0.00 178.31 176.13 2pyo h LEU 62 N -0.64 1.02 -0.53 0.59 3.38 -0.72 -2.14 115.31 116.26 2pyo h LEU 62 Ca 0.01 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2pyo h LEU 62 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2pyo h LEU 62 CO -0.16 0.68 0.16 -0.33 0.09 0.00 0.00 178.44 178.88 2pyo h GLU 63 N 1.17 0.83 -0.51 1.13 5.08 -0.90 0.42 114.58 121.81 2pyo h GLU 63 Ca 0.40 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 2pyo h GLU 63 Cb 0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2pyo h GLU 63 CO -0.14 0.77 0.21 -0.91 -1.00 0.00 0.00 179.01 177.94 2pyo h ASN 64 N 0.73 0.70 0.03 1.42 2.35 -1.12 0.22 115.58 119.91 2pyo h ASN 64 Ca 0.17 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2pyo h ASN 64 Cb 0.29 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.48 2pyo h ASN 64 CO -0.00 0.67 -0.01 0.58 -1.65 0.00 0.00 177.43 177.01 2pyo h VAL 65 N 0.68 1.36 -0.85 2.81 2.07 -1.15 -2.80 116.25 118.36 2pyo h VAL 65 Ca 0.17 -1.32 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2pyo h VAL 65 Cb 0.19 2.23 -0.04 0.00 -1.52 0.00 0.00 31.29 32.15 2pyo h VAL 65 CO -0.01 0.33 0.51 0.40 0.02 0.00 0.00 177.57 178.82 2pyo h ILE 66 N -0.63 1.24 -0.09 4.57 2.04 -0.15 0.11 117.51 124.60 2pyo h ILE 66 Ca -0.00 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.37 2pyo h ILE 66 Cb 0.58 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 2pyo h ILE 66 CO 0.01 0.25 -0.11 -0.09 0.00 0.00 0.00 178.15 178.20 2pyo h ARG 67 N 1.18 -0.14 -0.57 2.37 2.43 -0.58 0.20 114.38 119.27 2pyo h ARG 67 Ca 0.31 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.43 2pyo h ARG 67 Cb -0.05 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2pyo h ARG 67 CO -0.06 -0.09 0.13 -0.44 -1.51 0.00 0.00 179.97 178.00 2pyo h ASP 68 N -0.15 0.87 -0.28 -3.80 5.19 -1.18 -0.40 116.42 116.68 2pyo h ASP 68 Ca 0.07 -0.24 0.01 0.00 -0.62 0.00 0.00 57.03 56.25 2pyo h ASP 68 Cb 0.25 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.51 2pyo h ASP 68 CO -0.18 0.89 0.18 0.00 -3.12 0.00 0.00 179.24 177.01 2pyo h ALA 69 N 1.02 0.35 -0.54 3.45 0.00 -0.30 -1.25 119.26 121.98 2pyo h ALA 69 Ca 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2pyo h ALA 69 Cb 0.36 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2pyo h ALA 69 CO 0.00 -0.19 0.27 0.28 0.00 0.00 0.00 179.25 179.61 2pyo h VAL 70 N 0.36 1.18 -0.76 0.00 2.07 -0.42 0.11 116.25 118.78 2pyo h VAL 70 Ca 0.10 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.10 2pyo h VAL 70 Cb -0.03 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2pyo h VAL 70 CO -0.03 0.20 0.33 0.74 0.02 0.00 0.00 177.57 178.83 2pyo h THR 71 N 0.76 1.25 -0.40 2.57 2.02 -0.37 0.19 112.91 118.92 2pyo h THR 71 Ca 0.19 -0.74 -0.05 0.00 0.77 0.00 0.00 66.41 66.58 2pyo h THR 71 Cb 0.06 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 2pyo h THR 71 CO -0.03 0.31 0.06 1.88 0.37 0.00 0.00 175.52 178.11 2pyo h TYR 72 N 1.09 0.71 0.16 3.16 -1.99 -0.00 -0.53 116.97 119.57 2pyo h TYR 72 Ca 0.26 -0.10 0.01 0.00 2.00 0.00 0.00 58.73 60.90 2pyo h TYR 72 Cb 0.16 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 38.67 2pyo h TYR 72 CO 0.02 0.70 -0.24 1.15 -0.00 0.00 0.00 178.16 179.79 2pyo h THR 73 N 0.52 0.48 -0.99 -2.88 2.02 -0.35 -2.39 112.91 109.31 2pyo h THR 73 Ca 0.12 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.33 2pyo h THR 73 Cb 0.38 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 2pyo h THR 73 CO 0.01 0.00 0.65 -0.33 0.37 0.00 0.00 175.52 176.22 2pyo h GLU 74 N -0.46 1.24 -0.31 6.66 5.08 -0.53 -1.59 114.58 124.66 2pyo h GLU 74 Ca 0.02 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2pyo h GLU 74 Cb 0.47 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2pyo h GLU 74 CO -0.11 0.82 0.18 1.25 -1.00 0.00 0.00 179.01 180.15 2pyo h HIS 75 N 1.27 0.40 -0.09 4.33 2.76 -0.72 0.13 115.15 123.23 2pyo h HIS 75 Ca 0.38 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2pyo h HIS 75 Cb -0.04 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 28.79 2pyo h HIS 75 CO -0.00 0.28 0.00 0.00 -1.30 0.00 0.00 177.93 176.90 2pyo n ALA 76 N -2.49 2.54 -3.67 5.26 0.00 -0.62 -4.90 120.51 116.63 2pyo n ALA 76 Ca 0.02 -0.25 -0.22 0.00 0.00 0.00 0.00 53.44 52.98 2pyo n ALA 76 Cb 0.09 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.46 2pyo n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2pyo n LYS 77 N -0.27 -5.68 -4.51 0.00 5.02 0.45 -5.00 118.16 108.17 2pyo n LYS 77 Ca 0.11 0.69 -0.24 0.00 -2.02 0.00 0.00 58.31 56.84 2pyo n LYS 77 Cb 0.14 -5.45 -0.10 0.00 -0.02 0.00 0.00 35.03 29.60 2pyo n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2pyo s ARG 78 N -5.99 1.73 -0.00 1.97 0.52 -1.07 -5.04 118.95 111.06 2pyo s ARG 78 Ca 0.17 -1.90 0.10 0.00 -0.52 0.00 0.00 55.73 53.58 2pyo s ARG 78 Cb -0.08 -1.46 -0.11 0.00 0.52 0.00 0.00 34.95 33.81 2pyo s ARG 78 CO 0.79 0.07 0.36 1.63 0.02 0.00 0.00 175.30 178.17 2pyo n LYS 79 N -0.73 3.01 -3.82 3.54 5.02 -1.26 -4.39 118.16 119.52 2pyo n LYS 79 Ca -0.05 -0.02 -0.36 0.00 -2.02 0.00 0.00 58.31 55.86 2pyo n LYS 79 Cb 0.64 -1.02 -0.12 0.00 -0.02 0.00 0.00 35.03 34.52 2pyo n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pyo s THR 80 N -2.08 4.54 -0.20 -0.18 2.01 -1.26 -5.07 115.64 113.39 2pyo s THR 80 Ca 0.02 -0.10 -0.29 0.00 0.31 0.00 0.00 61.69 61.63 2pyo s THR 80 Cb 0.07 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.48 2pyo s THR 80 CO 0.39 0.36 1.09 -0.69 -0.69 0.00 0.00 174.62 175.09 2pyo s VAL 81 N 1.28 4.59 0.37 3.82 1.01 -1.26 -4.95 120.40 125.26 2pyo s VAL 81 Ca 0.05 1.92 -0.01 0.00 0.00 0.00 0.00 61.98 63.94 2pyo s VAL 81 Cb -0.15 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 2pyo s VAL 81 CO 0.04 -0.15 0.59 0.42 0.00 0.00 0.00 175.10 176.00 2pyo s THR 82 N 3.16 5.07 0.26 3.92 -4.23 -1.26 -4.97 115.64 117.59 2pyo s THR 82 Ca 0.47 -0.32 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 2pyo s THR 82 Cb -0.17 -3.86 0.27 0.00 1.34 0.00 0.00 72.50 70.08 2pyo s THR 82 CO 0.09 -0.60 1.91 0.00 -0.54 0.00 0.00 174.62 175.48 2pyo h ALA 83 N 0.70 1.36 -0.63 3.99 0.00 -1.95 -0.76 119.26 121.96 2pyo h ALA 83 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2pyo h ALA 83 Cb 1.21 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2pyo h ALA 83 CO 0.62 0.54 0.41 0.52 0.00 0.00 0.00 179.25 181.33 2pyo h MET 84 N 1.25 0.83 -0.40 0.00 2.86 -1.94 0.60 114.93 118.13 2pyo h MET 84 Ca 0.40 -0.06 0.08 0.00 -2.06 0.00 0.00 59.70 58.06 2pyo h MET 84 Cb 0.02 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 31.42 2pyo h MET 84 CO -0.13 0.56 -0.08 -0.44 1.06 0.00 0.00 176.91 177.88 2pyo h ASP 85 N 0.85 -0.33 0.00 1.22 3.32 -1.52 0.88 116.42 120.84 2pyo h ASP 85 Ca 0.23 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.39 2pyo h ASP 85 Cb -0.08 0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2pyo h ASP 85 CO -0.05 -0.12 -0.00 0.58 -1.72 0.00 0.00 179.24 177.93 2pyo h VAL 86 N 0.02 1.10 -0.91 -1.35 2.07 -0.68 0.24 116.25 116.74 2pyo h VAL 86 Ca 0.19 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.51 2pyo h VAL 86 Cb 0.29 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 2pyo h VAL 86 CO -0.40 0.08 0.58 0.58 0.02 0.00 0.00 177.57 178.44 2pyo h VAL 87 N -0.13 0.95 -0.07 2.57 2.07 0.97 0.34 116.25 122.95 2pyo h VAL 87 Ca -0.00 -0.30 -0.16 0.00 0.82 0.00 0.00 66.70 67.06 2pyo h VAL 87 Cb 0.13 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 2pyo h VAL 87 CO 0.00 0.16 -0.64 1.88 0.02 0.00 0.00 177.57 178.99 2pyo h TYR 88 N 0.88 0.35 -0.20 1.57 0.99 0.13 -2.11 116.97 118.57 2pyo h TYR 88 Ca 0.43 -0.14 -0.05 0.00 2.00 0.00 0.00 58.73 60.97 2pyo h TYR 88 Cb 0.45 -0.06 -0.01 0.00 1.00 0.00 0.00 36.73 38.11 2pyo h TYR 88 CO -0.00 0.83 -0.08 0.00 -0.00 0.00 0.00 178.16 178.91 2pyo h ALA 89 N 1.13 0.28 -0.72 3.88 0.00 0.13 -2.92 119.26 121.04 2pyo h ALA 89 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 2pyo h ALA 89 Cb 1.17 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 2pyo h ALA 89 CO 0.10 0.09 0.46 -0.07 0.00 0.00 0.00 179.25 179.83 2pyo h LEU 90 N 0.11 0.84 -0.74 0.00 3.38 -0.28 -2.99 115.31 115.63 2pyo h LEU 90 Ca 0.05 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 2pyo h LEU 90 Cb 0.55 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2pyo h LEU 90 CO 0.03 0.63 0.48 0.50 0.09 0.00 0.00 178.44 180.16 2pyo h LYS 91 N 0.98 0.92 0.00 1.13 3.64 -1.34 -0.66 116.57 121.24 2pyo h LYS 91 Ca 0.26 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 2pyo h LYS 91 Cb -0.08 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 31.53 2pyo h LYS 91 CO -0.05 0.61 0.00 2.89 -2.27 0.00 0.00 179.45 180.63 2pyo n ARG 92 N -4.61 0.75 -0.23 1.90 1.85 -1.11 -1.34 116.66 113.88 2pyo n ARG 92 Ca 0.08 0.00 0.06 0.00 -1.00 0.00 0.00 57.85 56.99 2pyo n ARG 92 Cb 0.05 -1.42 0.17 0.00 -1.05 0.00 0.00 32.46 30.22 2pyo n ARG 92 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2pyo n GLN 93 N -0.92 2.89 -0.98 2.89 6.02 -0.37 -4.95 117.38 121.96 2pyo n GLN 93 Ca 0.15 -2.21 0.00 0.00 -0.01 0.00 0.00 57.00 54.93 2pyo n GLN 93 Cb 0.07 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 29.94 2pyo n GLN 93 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pyo n GLY 94 N 0.25 0.45 2.72 1.08 0.00 -0.45 -4.95 105.19 104.30 2pyo n GLY 94 Ca 0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 2pyo n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pyo n ARG 95 N -2.07 3.28 -1.52 1.61 5.12 -0.52 -5.00 116.66 117.56 2pyo n ARG 95 Ca 0.00 -4.11 -0.55 0.00 -1.93 0.00 0.00 57.85 51.26 2pyo n ARG 95 Cb 0.10 -2.28 -0.06 0.00 -1.16 0.00 0.00 32.46 29.05 2pyo n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2pyo n THR 96 N -0.46 0.35 -5.13 0.55 -1.04 -1.26 -4.39 114.28 102.91 2pyo n THR 96 Ca 0.46 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.05 62.06 2pyo n THR 96 Cb 0.42 -0.28 -0.17 0.00 -1.82 0.00 0.00 70.33 68.48 2pyo n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2pyo s LEU 97 N 0.54 2.19 -0.09 -4.42 2.96 -1.26 -4.99 118.68 113.62 2pyo s LEU 97 Ca 0.84 -0.52 -0.03 0.00 -0.22 0.00 0.00 54.13 54.19 2pyo s LEU 97 Cb -1.11 -1.44 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2pyo s LEU 97 CO 0.54 0.16 0.06 -0.31 -1.32 0.00 0.00 176.35 175.48 2pyo s TYR 98 N 0.36 3.34 0.00 5.38 1.51 -1.26 -4.66 117.35 122.02 2pyo s TYR 98 Ca -0.17 0.32 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 2pyo s TYR 98 Cb -0.18 -1.84 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 2pyo s TYR 98 CO 0.08 0.58 0.00 0.41 -1.11 0.00 0.00 175.55 175.51 2pyo n GLY 99 N 1.95 0.94 0.27 0.71 0.00 -1.26 -5.00 105.19 102.79 2pyo n GLY 99 Ca -0.18 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.87 2pyo n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pyo n PHE 100 N -0.28 0.00 0.00 1.61 3.01 -1.26 -5.12 117.46 115.42 2pyo n PHE 100 Ca 0.00 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.12 2pyo n PHE 100 Cb 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 2pyo n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2pyo n GLY 101 N -0.47 2.34 3.70 1.37 0.00 -1.26 -4.58 105.19 106.29 2pyo n GLY 101 Ca 0.05 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.97 2pyo n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93