#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pyo n ASP 24 N 0.00 2.04 0.06 0.00 8.00 -1.26 -5.03 116.55 120.36 2pyo n ASP 24 Ca 0.00 -2.23 -0.13 0.00 0.71 0.00 0.00 54.79 53.14 2pyo n ASP 24 Cb 0.00 -0.08 -0.08 0.00 -0.02 0.00 0.00 41.12 40.94 2pyo n ASP 24 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2pyo h ASN 25 N 0.37 -0.08 0.24 -2.24 2.35 -2.04 -2.81 115.58 111.37 2pyo h ASN 25 Ca -0.22 -0.10 -0.05 0.00 -0.55 0.00 0.00 56.30 55.38 2pyo h ASN 25 Cb 0.85 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 2pyo h ASN 25 CO 0.35 0.05 -0.22 -0.29 -1.65 0.00 0.00 177.43 175.66 2pyo h ILE 26 N -0.20 1.12 0.00 2.81 6.09 -1.98 0.42 117.51 125.78 2pyo h ILE 26 Ca -0.01 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.70 2pyo h ILE 26 Cb 0.17 1.42 0.00 0.00 0.47 0.00 0.00 36.82 38.88 2pyo h ILE 26 CO 0.02 0.22 0.00 0.00 -3.07 0.00 0.00 178.15 175.31 2pyo n GLN 27 N -4.22 0.13 0.25 2.19 1.13 -1.17 -2.15 117.38 113.55 2pyo n GLN 27 Ca -0.02 0.27 0.11 0.00 -1.94 0.00 0.00 57.00 55.41 2pyo n GLN 27 Cb 0.28 -1.70 0.67 0.00 0.11 0.00 0.00 30.24 29.60 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 3.25 0.00 -7.30 1.08 0.00 0.12 -3.35 103.07 96.87 2pyo h GLY 28 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2pyo h GLY 28 CO 0.00 0.00 0.96 -0.42 0.00 0.00 0.00 176.54 177.08 2pyo s ILE 29 N -4.26 3.85 0.71 2.60 -1.09 -0.91 -4.97 121.20 117.13 2pyo s ILE 29 Ca -0.03 0.34 -0.12 0.00 -2.23 0.00 0.00 60.65 58.61 2pyo s ILE 29 Cb 0.14 -4.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.18 2pyo s ILE 29 CO 0.61 -1.73 1.09 0.42 -1.23 0.00 0.00 174.94 174.10 2pyo s THR 30 N 5.37 3.49 0.16 2.92 -4.23 -1.26 -4.89 115.64 117.21 2pyo s THR 30 Ca 0.34 0.55 -0.16 0.00 -1.18 0.00 0.00 61.69 61.24 2pyo s THR 30 Cb -0.09 -3.10 0.07 0.00 1.34 0.00 0.00 72.50 70.72 2pyo s THR 30 CO 0.15 -0.56 1.69 0.50 -0.54 0.00 0.00 174.62 175.86 2pyo h LYS 31 N -0.62 0.07 -0.39 3.99 3.64 -1.93 -1.38 116.57 119.95 2pyo h LYS 31 Ca -0.45 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 58.88 2pyo h LYS 31 Cb 1.23 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 2pyo h LYS 31 CO 0.54 0.04 0.03 -1.00 -2.27 0.00 0.00 179.45 176.79 2pyo h PRO 32 N 0.07 0.61 -0.52 1.90 0.13 -1.98 0.19 132.00 132.40 2pyo h PRO 32 Ca 0.19 -0.13 -0.06 0.00 -0.87 0.00 0.00 66.00 65.13 2pyo h PRO 32 Cb 0.28 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.30 2pyo h PRO 32 CO -0.35 0.61 0.08 0.00 -0.23 0.00 0.00 178.00 178.11 2pyo h ALA 33 N 1.46 0.69 -0.56 -0.56 0.00 -1.80 0.45 119.26 118.94 2pyo h ALA 33 Ca 0.13 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 2pyo h ALA 33 Cb 0.32 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2pyo h ALA 33 CO 0.01 0.44 0.01 0.82 0.00 0.00 0.00 179.25 180.53 2pyo h ILE 34 N 0.75 1.26 -0.83 0.00 2.04 -0.92 -0.91 117.51 118.90 2pyo h ILE 34 Ca 0.16 -1.09 -0.04 0.00 1.00 0.00 0.00 64.86 64.89 2pyo h ILE 34 Cb 0.41 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.27 2pyo h ILE 34 CO 0.01 0.39 0.37 -0.09 0.00 0.00 0.00 178.15 178.84 2pyo h ARG 35 N 0.89 1.21 -0.41 2.37 2.43 -0.02 -1.79 114.38 119.05 2pyo h ARG 35 Ca 0.17 -0.19 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2pyo h ARG 35 Cb 0.51 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2pyo h ARG 35 CO 0.02 0.94 0.23 0.00 -1.51 0.00 0.00 179.97 179.66 2pyo h ARG 36 N 1.19 0.57 -0.59 0.20 3.08 -0.28 -0.50 114.38 118.05 2pyo h ARG 36 Ca 0.28 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.28 2pyo h ARG 36 Cb 0.15 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2pyo h ARG 36 CO -0.03 0.45 0.38 -0.07 -1.07 0.00 0.00 179.97 179.64 2pyo h LEU 37 N 0.54 0.65 -0.75 3.04 3.38 -0.89 -0.66 115.31 120.63 2pyo h LEU 37 Ca 0.15 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2pyo h LEU 37 Cb 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 2pyo h LEU 37 CO -0.02 0.47 0.37 0.00 0.09 0.00 0.00 178.44 179.34 2pyo h ALA 38 N 1.23 0.97 -0.49 1.53 0.00 -1.11 -1.53 119.26 119.86 2pyo h ALA 38 Ca 0.22 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2pyo h ALA 38 Cb -0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.40 2pyo h ALA 38 CO -0.06 0.53 0.30 0.00 0.00 0.00 0.00 179.25 180.01 2pyo h ARG 39 N 1.05 0.58 0.00 0.00 2.47 -0.28 0.35 114.38 118.56 2pyo h ARG 39 Ca 0.26 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.93 2pyo h ARG 39 Cb 0.11 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2pyo h ARG 39 CO -0.03 0.38 -0.06 -0.09 0.56 0.00 0.00 179.97 180.73 2pyo h ARG 40 N 0.60 0.00 -0.15 0.04 2.43 -0.61 0.34 114.38 117.03 2pyo h ARG 40 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2pyo h ARG 40 Cb -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2pyo h ARG 40 CO -0.08 0.06 0.00 0.41 -1.51 0.00 0.00 179.97 178.85 2pyo n GLY 41 N -0.99 -0.09 2.05 2.80 0.00 0.10 -4.89 105.19 104.18 2pyo n GLY 41 Ca -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 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 0.96 0.46 3.64 -0.02 0.00 0.12 -5.03 105.19 105.32 2pyo n GLY 42 Ca 0.13 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 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 -2.08 5.03 -0.08 1.61 1.01 -0.13 -4.96 120.40 120.81 2pyo s VAL 43 Ca 0.00 1.05 -0.07 0.00 0.00 0.00 0.00 61.98 62.95 2pyo s VAL 43 Cb 0.00 -3.89 -0.28 0.00 0.00 0.00 0.00 36.38 32.21 2pyo s VAL 43 CO 0.00 0.09 0.54 0.50 0.00 0.00 0.00 175.10 176.23 2pyo h LYS 44 N 7.77 0.31 -4.33 2.72 3.64 -1.94 -3.38 116.57 121.36 2pyo h LYS 44 Ca -0.29 -0.53 -0.47 0.00 -1.27 0.00 0.00 60.65 58.09 2pyo h LYS 44 Cb 1.14 0.20 -0.34 0.00 -0.41 0.00 0.00 32.23 32.82 2pyo h LYS 44 CO 0.75 1.22 -0.80 0.50 -2.27 0.00 0.00 179.45 178.86 2pyo s ARG 45 N -2.57 1.32 -0.16 1.90 3.52 -1.26 -5.13 118.95 116.57 2pyo s ARG 45 Ca -0.18 -0.28 -0.00 0.00 -0.13 0.00 0.00 55.73 55.14 2pyo s ARG 45 Cb 0.06 -1.15 -0.00 0.00 -1.56 0.00 0.00 34.95 32.30 2pyo s ARG 45 CO 0.81 -0.01 -0.14 0.42 -0.81 0.00 0.00 175.30 175.57 2pyo s ILE 46 N 0.75 2.75 0.62 4.11 1.01 -1.26 -5.11 121.20 124.06 2pyo s ILE 46 Ca -0.13 -0.74 -0.16 0.00 0.00 0.00 0.00 60.65 59.62 2pyo s ILE 46 Cb -0.15 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2pyo s ILE 46 CO 0.02 0.51 1.09 -0.55 0.00 0.00 0.00 174.94 176.01 2pyo s SER 47 N 0.84 5.46 0.46 3.58 0.15 -1.26 -4.94 113.70 117.99 2pyo s SER 47 Ca -0.04 1.95 0.16 0.00 0.70 0.00 0.00 55.95 58.71 2pyo s SER 47 Cb -0.15 -2.55 1.08 0.00 -1.71 0.00 0.00 66.02 62.69 2pyo s SER 47 CO -0.00 -1.39 2.02 1.23 1.20 0.00 0.00 173.24 176.30 2pyo h GLY 48 N 0.35 0.00 1.92 9.45 0.00 -2.06 -2.52 103.07 110.22 2pyo h GLY 48 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 2pyo h GLY 48 CO 0.56 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.14 2pyo n LEU 49 N -4.31 0.00 -0.18 3.11 4.77 -1.26 -4.02 117.00 115.11 2pyo n LEU 49 Ca -0.03 0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 2pyo n LEU 49 Cb 0.22 -0.46 0.03 0.00 -2.33 0.00 0.00 43.42 40.87 2pyo n LEU 49 CO 0.36 -0.01 1.10 0.40 -1.33 0.00 0.00 177.39 177.90 2pyo h ILE 50 N 0.00 1.14 -0.58 -0.08 1.08 -1.83 -3.10 117.51 114.14 2pyo h ILE 50 Ca 0.00 -0.26 0.11 0.00 -0.39 0.00 0.00 64.86 64.33 2pyo h ILE 50 Cb 0.45 0.35 -0.09 0.00 -3.07 0.00 0.00 36.82 34.47 2pyo h ILE 50 CO 0.00 0.13 0.05 1.88 -0.69 0.00 0.00 178.15 179.53 2pyo h TYR 51 N 0.73 0.06 -0.03 1.37 0.05 -1.79 0.29 116.97 117.64 2pyo h TYR 51 Ca 0.20 0.04 -0.14 0.00 0.05 0.00 0.00 58.73 58.88 2pyo h TYR 51 Cb -0.08 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 2pyo h TYR 51 CO -0.04 -0.10 -0.61 0.93 -1.05 0.00 0.00 178.16 177.29 2pyo h GLU 52 N 0.17 0.12 -0.42 4.88 4.39 -1.83 -2.23 114.58 119.66 2pyo h GLU 52 Ca 0.30 -0.09 -0.11 0.00 0.34 0.00 0.00 59.36 59.81 2pyo h GLU 52 Cb 0.47 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 2pyo h GLU 52 CO -0.45 0.70 -0.15 1.49 -1.16 0.00 0.00 179.01 179.44 2pyo h GLU 53 N 0.09 0.85 -0.05 2.33 4.57 -1.09 -2.49 114.58 118.80 2pyo h GLU 53 Ca -0.01 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 57.83 2pyo h GLU 53 Cb 1.10 -0.04 -0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2pyo h GLU 53 CO 0.09 0.98 0.03 1.15 -1.18 0.00 0.00 179.01 180.08 2pyo h THR 54 N 0.67 1.05 -0.88 0.32 2.02 -0.35 -1.39 112.91 114.36 2pyo h THR 54 Ca 0.10 -0.14 0.10 0.00 0.77 0.00 0.00 66.41 67.24 2pyo h THR 54 Cb 0.70 1.06 -0.08 0.00 -1.74 0.00 0.00 68.15 68.09 2pyo h THR 54 CO 0.05 0.04 0.52 0.03 0.37 0.00 0.00 175.52 176.54 2pyo h ARG 55 N 0.01 0.84 -0.81 6.66 3.08 -1.37 0.25 114.38 123.04 2pyo h ARG 55 Ca 0.02 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2pyo h ARG 55 Cb 0.05 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 2pyo h ARG 55 CO -0.00 0.56 0.39 0.78 -1.07 0.00 0.00 179.97 180.62 2pyo h GLY 56 N 0.87 1.26 0.93 0.04 0.00 -0.99 -0.68 103.07 104.49 2pyo h GLY 56 Ca 0.43 -0.63 -0.06 0.00 0.00 0.00 0.00 47.33 47.07 2pyo h GLY 56 CO -0.25 0.60 -0.02 -2.08 0.00 0.00 0.00 176.54 174.79 2pyo h VAL 57 N 1.15 1.26 -0.74 4.60 2.07 0.07 -2.22 116.25 122.44 2pyo h VAL 57 Ca 0.28 -1.03 -0.04 0.00 0.82 0.00 0.00 66.70 66.73 2pyo h VAL 57 Cb 0.12 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2pyo h VAL 57 CO -0.03 0.34 0.31 0.25 0.02 0.00 0.00 177.57 178.46 2pyo h LEU 58 N 0.46 1.00 -0.59 2.57 5.85 -0.32 -1.56 115.31 122.72 2pyo h LEU 58 Ca 0.10 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.65 2pyo h LEU 58 Cb 0.49 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.24 2pyo h LEU 58 CO 0.02 0.88 0.27 0.50 -0.34 0.00 0.00 178.44 179.77 2pyo h LYS 59 N 1.07 0.86 -0.47 1.25 3.64 -0.98 -0.09 116.57 121.85 2pyo h LYS 59 Ca 0.25 -0.14 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 2pyo h LYS 59 Cb 0.18 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2pyo h LYS 59 CO -0.02 0.71 -0.13 0.28 -2.27 0.00 0.00 179.45 178.01 2pyo h VAL 60 N 0.81 1.26 -0.28 2.00 2.07 -1.11 -0.72 116.25 120.29 2pyo h VAL 60 Ca 0.20 -1.25 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 2pyo h VAL 60 Cb 0.15 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 2pyo h VAL 60 CO -0.02 0.43 0.14 0.15 0.02 0.00 0.00 177.57 178.29 2pyo h PHE 61 N 0.79 0.40 -0.38 1.57 3.57 -0.90 -1.88 116.94 120.12 2pyo h PHE 61 Ca 0.12 -0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.49 2pyo h PHE 61 Cb 0.66 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.26 2pyo h PHE 61 CO 0.04 0.36 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.18 2pyo h LEU 62 N 0.32 0.85 -0.60 0.59 3.38 -0.89 -1.49 115.31 117.47 2pyo h LEU 62 Ca 0.10 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.69 2pyo h LEU 62 Cb 0.11 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.57 2pyo h LEU 62 CO -0.01 1.09 0.33 -0.33 0.09 0.00 0.00 178.44 179.61 2pyo h GLU 63 N 0.62 0.61 -0.39 1.13 5.08 -1.07 0.48 114.58 121.05 2pyo h GLU 63 Ca 0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2pyo h GLU 63 Cb 0.79 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 2pyo h GLU 63 CO 0.06 0.41 0.13 -0.91 -1.00 0.00 0.00 179.01 177.70 2pyo h ASN 64 N 0.63 0.56 -0.04 1.42 2.35 -1.23 -0.84 115.58 118.43 2pyo h ASN 64 Ca 0.26 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 2pyo h ASN 64 Cb 0.13 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2pyo h ASN 64 CO -0.16 0.60 -0.18 0.58 -1.65 0.00 0.00 177.43 176.63 2pyo h VAL 65 N 0.48 1.47 -0.66 2.81 2.07 -0.75 -3.20 116.25 118.46 2pyo h VAL 65 Ca 0.13 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 65.98 2pyo h VAL 65 Cb 0.23 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 2pyo h VAL 65 CO -0.01 0.45 0.29 0.40 0.02 0.00 0.00 177.57 178.73 2pyo h ILE 66 N -0.37 1.23 -0.36 4.57 2.04 -0.09 -1.31 117.51 123.22 2pyo h ILE 66 Ca -0.01 -0.70 0.08 0.00 1.00 0.00 0.00 64.86 65.23 2pyo h ILE 66 Cb 0.83 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 2pyo h ILE 66 CO 0.04 0.28 -0.16 -0.09 0.00 0.00 0.00 178.15 178.22 2pyo h ARG 67 N 0.92 -0.09 -0.72 2.37 2.43 -1.24 0.33 114.38 118.39 2pyo h ARG 67 Ca 0.22 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.35 2pyo h ARG 67 Cb 0.17 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 2pyo h ARG 67 CO -0.02 -0.06 0.25 -0.44 -1.51 0.00 0.00 179.97 178.19 2pyo h ASP 68 N -0.09 1.01 -0.12 -3.80 5.19 -1.47 -0.82 116.42 116.33 2pyo h ASP 68 Ca 0.18 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 2pyo h ASP 68 Cb 0.37 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.61 2pyo h ASP 68 CO -0.42 0.93 0.06 0.00 -3.12 0.00 0.00 179.24 176.68 2pyo h ALA 69 N 1.21 0.15 -0.77 3.45 0.00 0.02 -1.48 119.26 121.85 2pyo h ALA 69 Ca 0.24 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2pyo h ALA 69 Cb 0.26 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2pyo h ALA 69 CO -0.01 -0.29 0.45 0.28 0.00 0.00 0.00 179.25 179.68 2pyo h VAL 70 N 0.07 1.22 -0.49 0.00 2.07 -0.23 0.20 116.25 119.09 2pyo h VAL 70 Ca 0.04 -0.50 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 2pyo h VAL 70 Cb 0.12 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 2pyo h VAL 70 CO -0.01 0.23 0.22 0.74 0.02 0.00 0.00 177.57 178.77 2pyo h THR 71 N 1.06 1.17 -0.08 2.57 2.02 -0.66 0.19 112.91 119.18 2pyo h THR 71 Ca 0.27 -0.51 -0.15 0.00 0.77 0.00 0.00 66.41 66.80 2pyo h THR 71 Cb -0.02 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 2pyo h THR 71 CO -0.05 0.20 -0.61 1.88 0.37 0.00 0.00 175.52 177.31 2pyo h TYR 72 N 0.69 0.37 0.65 3.16 -1.99 0.08 -1.99 116.97 117.93 2pyo h TYR 72 Ca 0.17 -0.14 -0.03 0.00 2.00 0.00 0.00 58.73 60.73 2pyo h TYR 72 Cb 0.10 -0.06 0.01 0.00 2.00 0.00 0.00 36.73 38.77 2pyo h TYR 72 CO 0.01 0.82 -0.31 1.15 -0.00 0.00 0.00 178.16 179.83 2pyo h THR 73 N 0.21 0.00 -0.82 -2.88 2.02 0.99 -2.71 112.91 109.72 2pyo h THR 73 Ca -0.01 -0.19 0.20 0.00 0.77 0.00 0.00 66.41 67.18 2pyo h THR 73 Cb 1.13 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.41 2pyo h THR 73 CO 0.10 0.00 0.23 -0.33 0.37 0.00 0.00 175.52 175.89 2pyo h GLU 74 N -1.06 0.26 -0.29 6.66 5.08 -0.75 0.11 114.58 124.58 2pyo h GLU 74 Ca -0.09 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 2pyo h GLU 74 Cb 0.67 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2pyo h GLU 74 CO 0.15 0.17 0.13 1.25 -1.00 0.00 0.00 179.01 179.71 2pyo h HIS 75 N 0.26 0.39 -0.05 4.33 2.76 -1.30 0.98 115.15 122.53 2pyo h HIS 75 Ca 0.49 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.66 2pyo h HIS 75 Cb 0.92 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2pyo h HIS 75 CO -0.25 0.30 0.00 0.00 -1.30 0.00 0.00 177.93 176.68 2pyo n ALA 76 N -2.49 2.59 -3.15 5.26 0.00 0.33 -4.90 120.51 118.15 2pyo n ALA 76 Ca 0.01 -0.27 -0.20 0.00 0.00 0.00 0.00 53.44 52.98 2pyo n ALA 76 Cb 0.12 -1.26 0.05 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.43 -5.48 -4.00 0.00 5.02 0.34 -5.01 118.16 108.60 2pyo n LYS 77 Ca 0.16 0.77 -0.24 0.00 -2.02 0.00 0.00 58.31 56.99 2pyo n LYS 77 Cb 0.17 -5.45 -0.06 0.00 -0.02 0.00 0.00 35.03 29.66 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 -5.81 2.30 -0.03 1.97 0.52 -1.09 -5.02 118.95 111.78 2pyo s ARG 78 Ca 0.37 -1.77 0.05 0.00 -0.52 0.00 0.00 55.73 53.86 2pyo s ARG 78 Cb -0.16 -2.08 0.07 0.00 0.52 0.00 0.00 34.95 33.30 2pyo s ARG 78 CO 0.46 -0.13 1.00 1.63 0.02 0.00 0.00 175.30 178.29 2pyo n LYS 79 N -1.30 2.28 -3.97 3.54 5.02 -1.26 -4.41 118.16 118.06 2pyo n LYS 79 Ca -0.00 -1.69 -0.29 0.00 -2.02 0.00 0.00 58.31 54.31 2pyo n LYS 79 Cb 0.64 -1.08 -0.17 0.00 -0.02 0.00 0.00 35.03 34.40 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 -1.38 1.36 -0.11 -0.18 2.01 -1.26 -5.10 115.64 110.98 2pyo s THR 80 Ca 0.08 -0.57 -0.30 0.00 0.31 0.00 0.00 61.69 61.22 2pyo s THR 80 Cb 0.07 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2pyo s THR 80 CO 0.01 0.36 1.36 -0.69 -0.69 0.00 0.00 174.62 174.96 2pyo s VAL 81 N 1.56 4.05 0.30 3.82 1.01 -1.26 -4.93 120.40 124.95 2pyo s VAL 81 Ca 0.04 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2pyo s VAL 81 Cb -0.13 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2pyo s VAL 81 CO -0.09 -0.09 0.45 0.42 0.00 0.00 0.00 175.10 175.78 2pyo s THR 82 N 3.35 4.66 0.22 3.92 -4.23 -1.26 -4.98 115.64 117.32 2pyo s THR 82 Ca 0.60 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 60.13 2pyo s THR 82 Cb -0.26 -3.64 0.17 0.00 1.34 0.00 0.00 72.50 70.11 2pyo s THR 82 CO 0.20 -0.28 1.77 0.00 -0.54 0.00 0.00 174.62 175.78 2pyo h ALA 83 N 0.96 0.97 -0.50 3.99 0.00 -1.95 0.14 119.26 122.87 2pyo h ALA 83 Ca -0.49 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 2pyo h ALA 83 Cb 1.24 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2pyo h ALA 83 CO 0.57 -0.07 0.16 0.52 0.00 0.00 0.00 179.25 180.44 2pyo h MET 84 N 0.57 0.73 -0.80 0.00 2.86 -1.95 0.58 114.93 116.93 2pyo h MET 84 Ca 0.35 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.85 2pyo h MET 84 Cb 0.38 -0.13 -0.04 0.00 0.06 0.00 0.00 31.60 31.88 2pyo h MET 84 CO -0.28 0.63 0.42 -0.44 1.06 0.00 0.00 176.91 178.30 2pyo h ASP 85 N 0.72 1.02 -0.10 1.22 3.32 -1.36 0.31 116.42 121.55 2pyo h ASP 85 Ca 0.17 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 2pyo h ASP 85 Cb 0.20 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.49 2pyo h ASP 85 CO -0.01 0.84 -0.07 0.58 -1.72 0.00 0.00 179.24 178.86 2pyo h VAL 86 N 1.12 1.34 -0.62 -1.35 2.07 -0.16 -0.69 116.25 117.96 2pyo h VAL 86 Ca 0.28 -1.16 0.07 0.00 0.82 0.00 0.00 66.70 66.71 2pyo h VAL 86 Cb 0.07 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 2pyo h VAL 86 CO -0.04 0.33 0.31 0.58 0.02 0.00 0.00 177.57 178.77 2pyo h VAL 87 N -0.17 0.91 -0.28 2.57 2.07 0.37 0.31 116.25 122.04 2pyo h VAL 87 Ca 0.02 -0.20 -0.07 0.00 0.82 0.00 0.00 66.70 67.28 2pyo h VAL 87 Cb 0.56 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 2pyo h VAL 87 CO 0.02 0.10 -0.12 1.88 0.02 0.00 0.00 177.57 179.47 2pyo h TYR 88 N 0.57 0.49 -0.33 1.57 0.99 -0.33 -1.09 116.97 118.84 2pyo h TYR 88 Ca 0.29 -0.07 -0.05 0.00 2.00 0.00 0.00 58.73 60.90 2pyo h TYR 88 Cb 0.24 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 37.82 2pyo h TYR 88 CO -0.11 0.57 0.02 0.00 -0.00 0.00 0.00 178.16 178.64 2pyo h ALA 89 N 1.45 0.45 -0.49 3.88 0.00 0.76 -2.78 119.26 122.53 2pyo h ALA 89 Ca 0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2pyo h ALA 89 Cb 0.47 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2pyo h ALA 89 CO 0.03 0.19 0.19 -0.07 0.00 0.00 0.00 179.25 179.59 2pyo h LEU 90 N 0.39 0.68 -0.94 0.00 3.38 -0.23 -2.97 115.31 115.62 2pyo h LEU 90 Ca 0.10 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2pyo h LEU 90 Cb 0.42 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.93 2pyo h LEU 90 CO 0.01 0.67 0.60 0.50 0.09 0.00 0.00 178.44 180.31 2pyo h LYS 91 N 0.65 1.07 0.00 1.13 3.64 -1.11 0.58 116.57 122.54 2pyo h LYS 91 Ca 0.16 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2pyo h LYS 91 Cb 0.20 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2pyo h LYS 91 CO -0.01 0.71 0.00 2.89 -2.27 0.00 0.00 179.45 180.77 2pyo n ARG 92 N -4.54 0.20 -0.17 1.90 1.85 -1.06 -1.83 116.66 113.00 2pyo n ARG 92 Ca 0.14 0.22 0.05 0.00 -1.00 0.00 0.00 57.85 57.27 2pyo n ARG 92 Cb 0.17 -1.76 0.15 0.00 -1.05 0.00 0.00 32.46 29.97 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 -2.11 1.79 -1.03 2.89 1.13 -0.57 -4.88 117.38 114.60 2pyo n GLN 93 Ca 0.05 -1.23 -0.01 0.00 -1.94 0.00 0.00 57.00 53.88 2pyo n GLN 93 Cb 0.37 -1.26 -0.00 0.00 0.11 0.00 0.00 30.24 29.45 2pyo n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2pyo n GLY 94 N 1.04 0.40 2.64 1.08 0.00 -0.76 -4.94 105.19 104.65 2pyo n GLY 94 Ca 0.11 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.68 3.24 -1.16 1.61 1.74 0.09 -4.99 116.66 115.51 2pyo n ARG 95 Ca -0.01 -4.21 -0.45 0.00 -0.77 0.00 0.00 57.85 52.42 2pyo n ARG 95 Cb 0.19 -2.26 -0.06 0.00 -1.02 0.00 0.00 32.46 29.32 2pyo n ARG 95 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 2pyo n THR 96 N -0.49 0.26 -5.09 0.55 -1.04 -1.25 -4.48 114.28 102.74 2pyo n THR 96 Ca 0.44 -0.06 -0.30 0.00 -2.04 0.00 0.00 64.05 62.08 2pyo n THR 96 Cb 0.51 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.38 2.00 -0.11 -4.42 2.96 -1.26 -4.97 118.68 113.26 2pyo s LEU 97 Ca 0.68 -0.50 -0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2pyo s LEU 97 Cb -0.95 -1.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.42 2pyo s LEU 97 CO 0.44 0.14 0.05 -0.31 -1.32 0.00 0.00 176.35 175.36 2pyo s TYR 98 N 0.34 3.31 0.00 5.38 1.51 -1.26 -4.69 117.35 121.95 2pyo s TYR 98 Ca -0.16 0.28 0.00 0.00 -1.01 0.00 0.00 57.07 56.18 2pyo s TYR 98 Cb -0.17 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.81 2pyo s TYR 98 CO 0.07 0.51 0.00 0.41 -1.11 0.00 0.00 175.55 175.44 2pyo n GLY 99 N 2.27 1.64 0.30 0.71 0.00 -1.26 -5.01 105.19 103.84 2pyo n GLY 99 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.11 0.00 0.00 1.61 3.01 -1.26 -5.13 117.46 114.58 2pyo n PHE 100 Ca 0.00 -0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2pyo n PHE 100 Cb 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.42 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 -0.18 2.95 2.12 1.37 0.00 -1.26 -4.59 105.19 105.59 2pyo n GLY 101 Ca 0.02 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.99 2pyo n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93