#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p3f s ASP 24 N 0.00 3.74 0.20 6.15 -1.08 -1.26 -5.07 116.67 119.34 1p3f s ASP 24 Ca 0.00 -0.42 -0.09 0.00 -0.52 0.00 0.00 52.55 51.52 1p3f s ASP 24 Cb 0.00 -0.60 0.12 0.00 -1.46 0.00 0.00 42.92 40.98 1p3f s ASP 24 CO 0.00 0.27 1.76 0.78 0.52 0.00 0.00 175.17 178.50 1p3f h ASN 25 N 4.69 0.99 0.34 -0.34 2.35 -2.03 -1.91 115.58 119.66 1p3f h ASN 25 Ca -0.47 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.07 1p3f h ASN 25 Cb 1.15 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1p3f h ASN 25 CO 0.48 0.89 -0.18 -0.29 -1.65 0.00 0.00 177.43 176.67 1p3f h ILE 26 N 1.02 0.83 -0.00 2.81 6.09 -1.97 0.58 117.51 126.87 1p3f h ILE 26 Ca 0.24 -0.70 0.00 0.00 -1.37 0.00 0.00 64.86 63.02 1p3f h ILE 26 Cb 0.21 1.42 0.00 0.00 0.47 0.00 0.00 36.82 38.92 1p3f h ILE 26 CO -0.02 0.18 -0.08 0.00 -3.07 0.00 0.00 178.15 175.16 1p3f n GLN 27 N -3.89 0.61 0.26 2.19 1.13 -0.79 -2.05 117.38 114.86 1p3f n GLN 27 Ca -0.02 -0.16 0.15 0.00 -1.94 0.00 0.00 57.00 55.04 1p3f n GLN 27 Cb 0.27 -1.50 0.55 0.00 0.11 0.00 0.00 30.24 29.68 1p3f n GLN 27 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1p3f h GLY 28 N 4.98 0.00 -7.07 1.08 0.00 0.88 -3.36 103.07 99.58 1p3f h GLY 28 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1p3f h GLY 28 CO 0.00 0.00 0.54 -0.42 0.00 0.00 0.00 176.54 176.66 1p3f s ILE 29 N -3.57 4.43 0.66 2.60 -1.09 -0.87 -4.99 121.20 118.37 1p3f s ILE 29 Ca 0.02 0.35 -0.10 0.00 -2.23 0.00 0.00 60.65 58.70 1p3f s ILE 29 Cb 0.08 -4.50 0.01 0.00 -1.58 0.00 0.00 42.46 36.47 1p3f s ILE 29 CO 0.58 -1.03 1.02 0.42 -1.23 0.00 0.00 174.94 174.70 1p3f s THR 30 N 3.84 3.63 0.21 2.92 -4.23 -1.26 -4.90 115.64 115.85 1p3f s THR 30 Ca 0.31 0.34 -0.10 0.00 -1.18 0.00 0.00 61.69 61.06 1p3f s THR 30 Cb -0.12 -3.50 0.16 0.00 1.34 0.00 0.00 72.50 70.38 1p3f s THR 30 CO 0.21 -0.61 1.87 0.50 -0.54 0.00 0.00 174.62 176.05 1p3f h LYS 31 N -0.47 0.97 -0.14 3.99 3.64 -1.94 -0.66 116.57 121.96 1p3f h LYS 31 Ca -0.45 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1p3f h LYS 31 Cb 1.25 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.84 1p3f h LYS 31 CO 0.63 0.64 -0.08 -1.35 -2.27 0.00 0.00 179.45 177.01 1p3f h PRO 32 N 1.00 0.21 -0.03 1.90 0.11 -1.97 0.55 132.00 133.76 1p3f h PRO 32 Ca 0.29 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 1p3f h PRO 32 Cb -0.08 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 31.01 1p3f h PRO 32 CO -0.08 0.31 -0.37 0.00 -0.21 0.00 0.00 178.00 177.66 1p3f h ALA 33 N 1.71 0.08 -0.63 -0.75 0.00 -1.75 0.38 119.26 118.30 1p3f h ALA 33 Ca 0.05 -0.48 0.02 0.00 0.00 0.00 0.00 54.91 54.49 1p3f h ALA 33 Cb 0.29 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1p3f h ALA 33 CO 0.01 0.19 0.42 0.82 0.00 0.00 0.00 179.25 180.69 1p3f h ILE 34 N -0.27 1.12 0.93 0.00 2.04 -0.87 0.14 117.51 120.60 1p3f h ILE 34 Ca -0.04 -0.27 -0.05 0.00 1.00 0.00 0.00 64.86 65.50 1p3f h ILE 34 Cb 1.07 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1p3f h ILE 34 CO 0.07 0.14 -0.45 -0.09 0.00 0.00 0.00 178.15 177.83 1p3f h ARG 35 N 0.79 -1.21 -0.98 2.37 2.43 0.30 -1.43 114.38 116.66 1p3f h ARG 35 Ca 0.24 0.08 0.31 0.00 -0.81 0.00 0.00 59.98 59.80 1p3f h ARG 35 Cb 0.01 0.27 -0.15 0.00 -0.42 0.00 0.00 29.97 29.68 1p3f h ARG 35 CO -0.06 -0.80 0.50 0.00 -1.51 0.00 0.00 179.97 178.09 1p3f h ARG 36 N -1.33 0.29 0.73 0.20 3.08 0.83 -1.42 114.38 116.75 1p3f h ARG 36 Ca -0.13 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.87 1p3f h ARG 36 Cb 0.96 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 30.95 1p3f h ARG 36 CO 0.21 0.19 -0.35 -0.07 -1.07 0.00 0.00 179.97 178.88 1p3f h LEU 37 N 0.29 -0.83 -0.86 3.04 3.38 -0.26 -1.10 115.31 118.98 1p3f h LEU 37 Ca 0.70 0.03 0.17 0.00 0.09 0.00 0.00 57.88 58.87 1p3f h LEU 37 Cb 1.58 0.21 -0.16 0.00 0.09 0.00 0.00 40.66 42.38 1p3f h LEU 37 CO -0.62 -0.59 -0.21 0.00 0.09 0.00 0.00 178.44 177.11 1p3f h ALA 38 N -0.70 0.58 -0.34 1.53 0.00 -0.26 0.53 119.26 120.60 1p3f h ALA 38 Ca -0.10 0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1p3f h ALA 38 Cb 0.75 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1p3f h ALA 38 CO 0.16 -0.40 0.04 0.00 0.00 0.00 0.00 179.25 179.06 1p3f h ARG 39 N 0.00 0.15 -0.19 0.00 2.47 -0.87 0.34 114.38 116.27 1p3f h ARG 39 Ca 0.42 -0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.14 1p3f h ARG 39 Cb 0.64 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.91 1p3f h ARG 39 CO -0.89 0.10 0.13 -0.09 0.56 0.00 0.00 179.97 179.78 1p3f h ARG 40 N 0.15 0.20 -0.28 0.04 2.43 0.13 0.37 114.38 117.42 1p3f h ARG 40 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1p3f h ARG 40 Cb 0.19 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1p3f h ARG 40 CO -0.23 0.13 0.00 0.41 -1.51 0.00 0.00 179.97 178.77 1p3f n GLY 41 N -1.52 -0.24 2.37 2.80 0.00 0.01 -4.88 105.19 103.73 1p3f n GLY 41 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 1p3f n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1p3f n GLY 42 N 0.41 -0.01 3.80 -0.02 0.00 0.13 -5.04 105.19 104.46 1p3f n GLY 42 Ca 0.01 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 1p3f n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1p3f s VAL 43 N -2.80 5.44 -0.20 1.61 1.01 -0.58 -5.00 120.40 119.88 1p3f s VAL 43 Ca 0.12 0.24 0.05 0.00 0.00 0.00 0.00 61.98 62.40 1p3f s VAL 43 Cb -0.05 -3.46 -0.16 0.00 0.00 0.00 0.00 36.38 32.71 1p3f s VAL 43 CO 0.15 0.52 -0.12 1.17 0.00 0.00 0.00 175.10 176.82 1p3f n LYS 44 N 2.78 0.73 -5.05 2.72 4.81 -1.26 -4.20 118.16 118.69 1p3f n LYS 44 Ca -0.17 0.09 -0.29 0.00 -0.87 0.00 0.00 58.31 57.07 1p3f n LYS 44 Cb 0.53 -1.43 -0.16 0.00 0.02 0.00 0.00 35.03 33.99 1p3f n LYS 44 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1p3f s ILE 46 N -0.01 1.36 0.15 0.00 1.01 -1.26 -5.12 121.20 117.34 1p3f s ILE 46 Ca -0.05 -1.37 -0.33 0.00 0.00 0.00 0.00 60.65 58.90 1p3f s ILE 46 Cb -0.13 -1.82 -0.17 0.00 0.01 0.00 0.00 42.46 40.35 1p3f s ILE 46 CO 0.03 -0.35 1.00 -0.24 0.00 0.00 0.00 174.94 175.39 1p3f n SER 47 N 4.69 0.54 0.31 3.58 2.88 -1.26 -4.85 113.62 119.52 1p3f n SER 47 Ca -0.06 1.15 0.19 0.00 -1.33 0.00 0.00 58.87 58.81 1p3f n SER 47 Cb 0.43 -1.11 1.03 0.00 -0.75 0.00 0.00 64.21 63.82 1p3f n SER 47 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1p3f h GLY 48 N 2.71 0.00 1.79 0.46 0.00 -2.05 -1.81 103.07 104.16 1p3f h GLY 48 Ca -0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1p3f h GLY 48 CO 0.66 0.00 0.00 1.04 0.00 0.00 0.00 176.54 178.24 1p3f n LEU 49 N -3.44 0.00 0.49 3.11 4.77 -1.26 -3.81 117.00 116.85 1p3f n LEU 49 Ca -0.03 0.39 -0.20 0.00 -0.03 0.00 0.00 56.01 56.15 1p3f n LEU 49 Cb 0.10 -0.39 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 1p3f n LEU 49 CO 0.24 -0.02 0.55 0.40 -1.33 0.00 0.00 177.39 177.23 1p3f h ILE 50 N 0.00 0.08 -0.75 -0.08 1.08 -1.68 -2.70 117.51 113.46 1p3f h ILE 50 Ca 0.00 -0.03 0.12 0.00 -0.39 0.00 0.00 64.86 64.57 1p3f h ILE 50 Cb 0.37 0.08 -0.13 0.00 -3.07 0.00 0.00 36.82 34.07 1p3f h ILE 50 CO 0.00 0.00 -0.35 1.88 -0.69 0.00 0.00 178.15 178.99 1p3f h TYR 51 N -1.26 -0.98 -0.05 1.37 0.05 -1.77 0.55 116.97 114.88 1p3f h TYR 51 Ca -0.13 0.08 -0.00 0.00 0.05 0.00 0.00 58.73 58.74 1p3f h TYR 51 Cb 0.95 0.54 -0.00 0.00 1.01 0.00 0.00 36.73 39.22 1p3f h TYR 51 CO -0.01 -0.39 0.03 0.93 -1.05 0.00 0.00 178.16 177.67 1p3f h GLU 52 N -0.10 0.07 -0.74 4.88 4.39 -1.82 -0.77 114.58 120.50 1p3f h GLU 52 Ca 0.28 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.12 1p3f h GLU 52 Cb 0.57 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1p3f h GLU 52 CO -0.80 0.10 0.50 1.49 -1.16 0.00 0.00 179.01 179.14 1p3f h GLU 53 N 0.02 0.37 -0.15 2.33 4.57 0.03 -2.22 114.58 119.53 1p3f h GLU 53 Ca 0.02 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1p3f h GLU 53 Cb 0.05 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 1p3f h GLU 53 CO -0.00 0.25 -0.01 1.15 -1.18 0.00 0.00 179.01 179.21 1p3f h THR 54 N 0.38 1.27 -0.75 0.32 2.02 0.10 -3.09 112.91 113.16 1p3f h THR 54 Ca 0.36 -0.89 0.08 0.00 0.77 0.00 0.00 66.41 66.74 1p3f h THR 54 Cb 0.86 1.56 -0.07 0.00 -1.74 0.00 0.00 68.15 68.77 1p3f h THR 54 CO -0.11 0.26 0.42 0.03 0.37 0.00 0.00 175.52 176.49 1p3f h ARG 55 N -0.01 0.71 -0.18 6.66 3.08 -0.55 0.20 114.38 124.29 1p3f h ARG 55 Ca 0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1p3f h ARG 55 Cb 0.40 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1p3f h ARG 55 CO 0.01 0.47 0.02 0.78 -1.07 0.00 0.00 179.97 180.18 1p3f h GLY 56 N 0.73 0.27 1.05 0.04 0.00 -1.50 0.74 103.07 104.40 1p3f h GLY 56 Ca 0.35 -0.12 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 1p3f h GLY 56 CO -0.23 0.12 -0.52 -2.08 0.00 0.00 0.00 176.54 173.84 1p3f h VAL 57 N 0.25 1.30 -0.03 4.60 2.07 -0.87 -1.36 116.25 122.21 1p3f h VAL 57 Ca 0.06 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.75 1p3f h VAL 57 Cb 0.14 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 1p3f h VAL 57 CO -0.00 0.55 -0.47 0.25 0.02 0.00 0.00 177.57 177.91 1p3f h LEU 58 N 0.48 0.07 0.60 2.57 5.85 0.14 -0.98 115.31 124.05 1p3f h LEU 58 Ca -0.00 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 1p3f h LEU 58 Cb 1.13 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.14 1p3f h LEU 58 CO 0.11 0.54 -0.29 0.50 -0.34 0.00 0.00 178.44 178.96 1p3f h LYS 59 N 0.06 -0.78 -0.70 1.25 3.64 0.54 -1.16 116.57 119.41 1p3f h LYS 59 Ca 0.00 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.60 1p3f h LYS 59 Cb 0.86 0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 1p3f h LYS 59 CO 0.06 -0.47 0.48 0.28 -2.27 0.00 0.00 179.45 177.54 1p3f h VAL 60 N -0.98 0.73 0.19 2.00 2.07 -1.14 0.12 116.25 119.25 1p3f h VAL 60 Ca -0.08 -0.07 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 1p3f h VAL 60 Cb 0.67 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1p3f h VAL 60 CO 0.14 0.04 -0.09 0.15 0.02 0.00 0.00 177.57 177.82 1p3f h PHE 61 N 0.21 -0.24 -0.36 1.57 3.57 -0.85 -2.32 116.94 118.53 1p3f h PHE 61 Ca 0.34 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.74 1p3f h PHE 61 Cb 1.04 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.84 1p3f h PHE 61 CO -0.00 0.11 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.95 1p3f h LEU 62 N -0.63 0.66 -0.37 0.59 3.38 -0.47 -2.55 115.31 115.91 1p3f h LEU 62 Ca -0.03 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1p3f h LEU 62 Cb 0.46 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1p3f h LEU 62 CO 0.04 0.84 0.19 -0.33 0.09 0.00 0.00 178.44 179.27 1p3f h GLU 63 N 0.59 0.38 -0.30 1.13 5.08 -0.76 -0.62 114.58 120.08 1p3f h GLU 63 Ca 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1p3f h GLU 63 Cb 0.62 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1p3f h GLU 63 CO 0.04 0.25 0.19 -0.91 -1.00 0.00 0.00 179.01 177.59 1p3f h ASN 64 N 0.39 0.34 0.60 1.42 2.35 -1.19 -1.90 115.58 117.59 1p3f h ASN 64 Ca 0.15 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1p3f h ASN 64 Cb 0.05 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.34 1p3f h ASN 64 CO -0.10 0.24 -0.29 0.58 -1.65 0.00 0.00 177.43 176.22 1p3f h VAL 65 N 0.40 0.18 -0.70 2.81 2.07 -1.12 -3.17 116.25 116.71 1p3f h VAL 65 Ca 0.11 -0.38 0.15 0.00 0.82 0.00 0.00 66.70 67.40 1p3f h VAL 65 Cb -0.04 0.25 -0.12 0.00 -1.52 0.00 0.00 31.29 29.86 1p3f h VAL 65 CO -0.02 0.03 0.04 0.40 0.02 0.00 0.00 177.57 178.03 1p3f h ILE 66 N -1.12 0.43 -0.60 4.57 2.04 -1.19 0.15 117.51 121.78 1p3f h ILE 66 Ca -0.08 -0.05 0.12 0.00 1.00 0.00 0.00 64.86 65.85 1p3f h ILE 66 Cb 0.66 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 36.93 1p3f h ILE 66 CO 0.13 0.03 0.11 -0.09 0.00 0.00 0.00 178.15 178.33 1p3f h ARG 67 N 0.14 0.23 -0.18 2.37 2.43 -1.38 0.72 114.38 118.70 1p3f h ARG 67 Ca 0.38 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.42 1p3f h ARG 67 Cb 0.65 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1p3f h ARG 67 CO -0.59 0.15 -0.33 -0.44 -1.51 0.00 0.00 179.97 177.25 1p3f h ASP 68 N 0.23 0.60 -0.20 -3.80 5.19 -0.85 -1.28 116.42 116.31 1p3f h ASP 68 Ca 0.32 -0.55 0.04 0.00 -0.62 0.00 0.00 57.03 56.22 1p3f h ASP 68 Cb 0.48 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 1p3f h ASP 68 CO -0.42 1.03 -0.02 0.00 -3.12 0.00 0.00 179.24 176.71 1p3f h ALA 69 N 0.58 0.16 0.00 3.45 0.00 -0.04 -1.38 119.26 122.04 1p3f h ALA 69 Ca 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1p3f h ALA 69 Cb 0.93 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1p3f h ALA 69 CO 0.07 -0.45 -0.10 0.28 0.00 0.00 0.00 179.25 179.05 1p3f h VAL 70 N 0.04 0.71 -0.16 0.00 2.07 0.47 0.57 116.25 119.94 1p3f h VAL 70 Ca 0.10 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 1p3f h VAL 70 Cb 0.13 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 1p3f h VAL 70 CO -0.18 0.10 -0.57 0.74 0.02 0.00 0.00 177.57 177.68 1p3f h THR 71 N 0.00 1.33 -0.26 2.57 2.02 -0.51 -2.10 112.91 115.95 1p3f h THR 71 Ca -0.00 -1.84 -0.03 0.00 0.77 0.00 0.00 66.41 65.31 1p3f h THR 71 Cb 0.25 1.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.47 1p3f h THR 71 CO 0.01 0.57 0.05 1.88 0.37 0.00 0.00 175.52 178.40 1p3f h TYR 72 N 0.39 0.45 -0.43 3.16 0.99 -0.09 -1.12 116.97 120.31 1p3f h TYR 72 Ca 0.00 -0.06 0.06 0.00 2.00 0.00 0.00 58.73 60.73 1p3f h TYR 72 Cb 1.11 -0.12 -0.09 0.00 1.00 0.00 0.00 36.73 38.63 1p3f h TYR 72 CO 0.04 0.52 -0.53 1.15 -0.00 0.00 0.00 178.16 179.35 1p3f h THR 73 N 0.25 0.03 -0.34 -2.88 2.02 -0.66 -0.45 112.91 110.87 1p3f h THR 73 Ca 0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.28 1p3f h THR 73 Cb 0.31 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1p3f h THR 73 CO 0.00 0.00 0.17 -0.33 0.37 0.00 0.00 175.52 175.73 1p3f h GLU 74 N -0.37 0.34 -1.17 6.66 5.08 -1.35 -0.06 114.58 123.72 1p3f h GLU 74 Ca 0.10 -0.02 0.34 0.00 -1.00 0.00 0.00 59.36 58.77 1p3f h GLU 74 Cb 0.59 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.72 1p3f h GLU 74 CO -0.61 0.23 0.91 1.25 -1.00 0.00 0.00 179.01 179.79 1p3f h HIS 75 N 0.35 0.00 -0.69 4.33 2.76 0.25 0.85 115.15 123.01 1p3f h HIS 75 Ca 0.14 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1p3f h HIS 75 Cb 0.05 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.01 1p3f h HIS 75 CO -0.10 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.53 1p3f n ALA 76 N -2.68 2.55 -3.56 5.26 0.00 -0.06 -4.95 120.51 117.06 1p3f n ALA 76 Ca 0.25 -1.30 -0.23 0.00 0.00 0.00 0.00 53.44 52.17 1p3f n ALA 76 Cb 1.29 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 19.86 1p3f n ALA 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1p3f n LYS 77 N 1.45 -7.69 -2.65 0.00 5.02 0.30 -5.00 118.16 109.58 1p3f n LYS 77 Ca 0.24 0.81 -0.10 0.00 -2.02 0.00 0.00 58.31 57.24 1p3f n LYS 77 Cb 0.66 -5.82 -0.01 0.00 -0.02 0.00 0.00 35.03 29.84 1p3f n LYS 77 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1p3f n ARG 78 N -4.83 1.44 0.00 1.97 1.74 -1.11 -5.02 116.66 110.85 1p3f n ARG 78 Ca -0.02 -1.22 0.00 0.00 -0.77 0.00 0.00 57.85 55.84 1p3f n ARG 78 Cb 0.57 0.25 0.00 0.00 -1.02 0.00 0.00 32.46 32.26 1p3f n ARG 78 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1p3f n LYS 79 N -0.63 0.54 -4.02 5.56 5.02 -1.26 -4.68 118.16 118.68 1p3f n LYS 79 Ca -0.05 -0.61 -0.33 0.00 -2.02 0.00 0.00 58.31 55.30 1p3f n LYS 79 Cb 0.22 -0.71 -0.15 0.00 -0.02 0.00 0.00 35.03 34.37 1p3f n LYS 79 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p3f s THR 80 N -0.24 2.44 0.20 -0.18 2.01 -1.26 -5.08 115.64 113.53 1p3f s THR 80 Ca 0.00 -1.43 -0.32 0.00 0.31 0.00 0.00 61.69 60.25 1p3f s THR 80 Cb 0.00 -2.36 -0.13 0.00 0.01 0.00 0.00 72.50 70.02 1p3f s THR 80 CO 0.00 0.04 1.60 0.52 -0.69 0.00 0.00 174.62 176.09 1p3f n VAL 81 N 4.52 0.26 -4.06 3.82 0.31 -1.26 -4.96 118.33 116.97 1p3f n VAL 81 Ca -0.15 -0.07 -0.27 0.00 -0.01 0.00 0.00 64.34 63.85 1p3f n VAL 81 Cb 0.44 -1.71 -0.05 0.00 -0.91 0.00 0.00 33.84 31.61 1p3f n VAL 81 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1p3f s THR 82 N 0.73 4.60 0.21 2.52 -4.23 -1.26 -4.96 115.64 113.25 1p3f s THR 82 Ca 0.74 -0.98 -0.17 0.00 -1.18 0.00 0.00 61.69 60.11 1p3f s THR 82 Cb -0.60 -3.32 0.21 0.00 1.34 0.00 0.00 72.50 70.12 1p3f s THR 82 CO 0.39 -0.06 1.58 0.00 -0.54 0.00 0.00 174.62 175.99 1p3f h ALA 83 N 2.54 0.17 -0.62 3.99 0.00 -1.92 0.61 119.26 124.03 1p3f h ALA 83 Ca -0.48 0.23 0.10 0.00 0.00 0.00 0.00 54.91 54.76 1p3f h ALA 83 Cb 1.19 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.68 1p3f h ALA 83 CO 0.64 -0.58 0.23 0.52 0.00 0.00 0.00 179.25 180.06 1p3f h MET 84 N -0.08 0.39 -0.52 0.00 2.07 -1.94 0.30 114.93 115.15 1p3f h MET 84 Ca 0.30 -0.02 0.08 0.00 -2.07 0.00 0.00 59.70 57.99 1p3f h MET 84 Cb 0.57 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.18 1p3f h MET 84 CO -0.78 0.26 0.35 -0.44 1.07 0.00 0.00 176.91 177.37 1p3f h ASP 85 N 0.40 0.32 -0.21 1.22 3.32 -0.16 0.21 116.42 121.52 1p3f h ASP 85 Ca 0.31 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.19 1p3f h ASP 85 Cb 0.40 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1p3f h ASP 85 CO -0.32 0.20 -0.54 0.58 -1.72 0.00 0.00 179.24 177.44 1p3f h VAL 86 N 0.36 1.29 -0.30 -1.35 2.07 0.48 -2.72 116.25 116.07 1p3f h VAL 86 Ca 0.24 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1p3f h VAL 86 Cb 0.47 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 1p3f h VAL 86 CO -0.06 0.56 0.07 0.58 0.02 0.00 0.00 177.57 178.74 1p3f h VAL 87 N 0.61 1.22 -0.89 2.57 2.07 -0.71 0.45 116.25 121.57 1p3f h VAL 87 Ca 0.01 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.82 1p3f h VAL 87 Cb 1.13 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 1p3f h VAL 87 CO 0.12 0.24 0.59 1.88 0.02 0.00 0.00 177.57 180.42 1p3f h TYR 88 N 0.31 1.09 0.24 1.57 0.99 -0.64 -1.03 116.97 119.51 1p3f h TYR 88 Ca 0.09 0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.84 1p3f h TYR 88 Cb 0.30 -0.37 0.00 0.00 1.00 0.00 0.00 36.73 37.67 1p3f h TYR 88 CO 0.02 0.65 -0.12 0.00 -0.00 0.00 0.00 178.16 178.71 1p3f h ALA 89 N 1.47 -0.33 -0.96 3.88 0.00 -0.86 -1.87 119.26 120.59 1p3f h ALA 89 Ca 0.35 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.23 1p3f h ALA 89 Cb -0.03 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 1p3f h ALA 89 CO -0.10 -0.55 0.58 -0.07 0.00 0.00 0.00 179.25 179.11 1p3f h LEU 90 N -0.58 0.82 -0.53 0.00 3.38 -0.01 -0.57 115.31 117.82 1p3f h LEU 90 Ca -0.03 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1p3f h LEU 90 Cb 0.42 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1p3f h LEU 90 CO 0.05 0.40 0.31 0.50 0.09 0.00 0.00 178.44 179.80 1p3f h LYS 91 N 0.88 0.60 -0.50 1.13 3.64 -0.86 0.57 116.57 122.03 1p3f h LYS 91 Ca 0.49 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.80 1p3f h LYS 91 Cb 0.57 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1p3f h LYS 91 CO -0.30 0.39 0.16 0.00 -2.27 0.00 0.00 179.45 177.44 1p3f h ARG 92 N 0.61 0.78 0.00 1.90 3.08 -0.42 -0.11 114.38 120.22 1p3f h ARG 92 Ca 0.22 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1p3f h ARG 92 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1p3f h ARG 92 CO -0.10 0.72 0.00 1.04 -1.07 0.00 0.00 179.97 180.56 1p3f n GLN 93 N -4.50 0.07 -1.20 0.04 1.13 -0.34 -4.85 117.38 107.72 1p3f n GLN 93 Ca 0.02 0.47 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 1p3f n GLN 93 Cb 0.19 -1.68 0.00 0.00 0.11 0.00 0.00 30.24 28.86 1p3f n GLN 93 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1p3f n GLY 94 N -0.90 0.54 2.70 1.08 0.00 0.58 -4.96 105.19 104.23 1p3f n GLY 94 Ca 0.01 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.90 1p3f n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1p3f n ARG 95 N -2.05 3.35 -1.55 1.61 5.12 0.17 -4.99 116.66 118.32 1p3f n ARG 95 Ca 0.00 -4.67 -0.55 0.00 -1.93 0.00 0.00 57.85 50.69 1p3f n ARG 95 Cb 0.18 -2.25 -0.07 0.00 -1.16 0.00 0.00 32.46 29.17 1p3f n ARG 95 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1p3f n THR 96 N -0.37 0.00 -4.74 0.55 -1.04 -1.25 -4.45 114.28 102.98 1p3f n THR 96 Ca 0.35 -0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 62.03 1p3f n THR 96 Cb 0.53 -0.45 -0.13 0.00 -1.82 0.00 0.00 70.33 68.46 1p3f n THR 96 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1p3f s LEU 97 N 0.27 2.88 -0.03 -4.42 2.96 -1.26 -4.98 118.68 114.10 1p3f s LEU 97 Ca 0.87 -0.20 -0.00 0.00 -0.22 0.00 0.00 54.13 54.59 1p3f s LEU 97 Cb -1.10 -1.63 -0.04 0.00 0.50 0.00 0.00 46.19 43.93 1p3f s LEU 97 CO 0.51 0.27 0.02 -0.31 -1.32 0.00 0.00 176.35 175.52 1p3f s TYR 98 N -0.25 3.16 0.00 5.38 2.02 -1.26 -4.71 117.35 121.69 1p3f s TYR 98 Ca 0.02 0.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.87 1p3f s TYR 98 Cb -0.13 -1.73 0.00 0.00 -0.40 0.00 0.00 41.96 39.71 1p3f s TYR 98 CO 0.03 0.49 0.00 0.41 -1.57 0.00 0.00 175.55 174.91 1p3f n GLY 99 N 1.57 1.15 2.21 0.71 0.00 -1.09 -4.99 105.19 104.75 1p3f n GLY 99 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1p3f n GLY 99 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1p3f n PHE 100 N 0.00 1.01 0.00 1.61 3.01 -1.26 -4.97 117.46 116.86 1p3f n PHE 100 Ca 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 57.45 56.81 1p3f n PHE 100 Cb 0.00 -0.22 0.00 0.00 -0.01 0.00 0.00 39.48 39.25 1p3f n PHE 100 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1p3f n GLY 101 N -0.34 1.58 0.36 1.37 0.00 -1.26 -4.52 105.19 102.37 1p3f n GLY 101 Ca 0.12 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.87 1p3f n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93