#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pfh s PHE 2 N 0.00 3.05 -0.06 1.12 5.36 -0.88 -4.96 117.98 121.61 1pfh s PHE 2 Ca 0.00 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 55.72 1pfh s PHE 2 Cb 0.00 -1.99 0.01 0.00 -0.34 0.00 0.00 43.02 40.70 1pfh s PHE 2 CO 0.00 -0.04 -0.15 -0.65 -1.46 0.00 0.00 175.22 172.92 1pfh s GLN 3 N 0.45 1.90 -0.10 10.12 -0.21 -1.26 -0.61 119.66 129.94 1pfh s GLN 3 Ca -0.03 -0.52 0.00 0.00 0.02 0.00 0.00 55.36 54.84 1pfh s GLN 3 Cb -0.14 -1.55 0.02 0.00 1.00 0.00 0.00 33.01 32.34 1pfh s GLN 3 CO 0.02 0.10 -0.09 -0.65 -2.12 0.00 0.00 175.29 172.55 1pfh s GLN 4 N 0.48 1.57 -0.66 2.91 -0.21 -0.22 -5.01 119.66 118.52 1pfh s GLN 4 Ca -0.13 -0.30 -0.23 0.00 0.02 0.00 0.00 55.36 54.72 1pfh s GLN 4 Cb -0.15 -1.53 0.06 0.00 1.00 0.00 0.00 33.01 32.39 1pfh s GLN 4 CO 0.04 -0.18 1.00 -2.00 -2.12 0.00 0.00 175.29 172.02 1pfh s GLU 5 N 1.41 3.14 0.02 2.91 2.12 -1.26 -0.94 118.70 126.09 1pfh s GLU 5 Ca -0.01 -0.71 0.07 0.00 0.36 0.00 0.00 54.97 54.68 1pfh s GLU 5 Cb -0.13 -4.20 -0.03 0.00 0.26 0.00 0.00 34.13 30.02 1pfh s GLU 5 CO -0.05 -1.82 -0.20 0.14 -0.54 0.00 0.00 175.26 172.79 1pfh s VAL 6 N 4.24 2.63 -0.24 3.70 -7.23 0.01 -4.93 120.40 118.57 1pfh s VAL 6 Ca 0.24 -1.14 -0.16 0.00 -1.81 0.00 0.00 61.98 59.11 1pfh s VAL 6 Cb -0.15 -2.06 -0.03 0.00 0.56 0.00 0.00 36.38 34.69 1pfh s VAL 6 CO 0.12 0.41 0.43 0.42 -0.31 0.00 0.00 175.10 176.17 1pfh s THR 7 N -0.83 5.15 -0.78 5.32 -4.23 -1.26 -0.30 115.64 118.69 1pfh s THR 7 Ca 0.13 0.73 -0.26 0.00 -1.18 0.00 0.00 61.69 61.11 1pfh s THR 7 Cb -0.10 -3.75 0.03 0.00 1.34 0.00 0.00 72.50 70.01 1pfh s THR 7 CO 0.03 0.17 1.38 -0.63 -0.54 0.00 0.00 174.62 175.03 1pfh s ILE 8 N 1.84 3.72 -0.08 2.99 1.01 -0.47 -4.82 121.20 125.39 1pfh s ILE 8 Ca 0.19 0.16 0.13 0.00 0.00 0.00 0.00 60.65 61.13 1pfh s ILE 8 Cb -0.15 -4.84 -0.06 0.00 0.01 0.00 0.00 42.46 37.41 1pfh s ILE 8 CO 0.09 -1.77 1.22 0.71 0.00 0.00 0.00 174.94 175.19 1pfh h THR 9 N 6.27 0.98 -1.77 2.92 1.35 -1.89 -1.36 112.91 119.42 1pfh h THR 9 Ca -0.18 -2.48 -0.68 0.00 -0.55 0.00 0.00 66.41 62.51 1pfh h THR 9 Cb 1.05 2.44 0.02 0.00 -1.73 0.00 0.00 68.15 69.93 1pfh h THR 9 CO 1.30 0.56 0.97 0.00 -0.25 0.00 0.00 175.52 178.10 1pfh n ALA 10 N -2.31 0.27 -0.06 6.62 0.00 -1.26 -4.80 120.51 118.96 1pfh n ALA 10 Ca -0.02 0.35 -0.08 0.00 0.00 0.00 0.00 53.44 53.69 1pfh n ALA 10 Cb 0.83 -2.34 -0.01 0.00 0.00 0.00 0.00 19.45 17.92 1pfh n ALA 10 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pfh h PRO 11 N 7.94 0.15 -0.29 0.00 0.11 -1.93 -2.56 132.00 135.43 1pfh h PRO 11 Ca -0.47 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1pfh h PRO 11 Cb 1.30 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1pfh h PRO 11 CO 0.95 0.10 -0.19 -2.95 -0.21 0.00 0.00 178.00 175.69 1pfh h ASN 12 N 0.15 0.67 0.00 -2.05 -1.07 -1.96 -3.34 115.58 107.99 1pfh h ASN 12 Ca 0.11 -0.43 0.00 0.00 0.07 0.00 0.00 56.30 56.05 1pfh h ASN 12 Cb 0.10 -0.19 0.00 0.00 -2.07 0.00 0.00 38.32 36.17 1pfh h ASN 12 CO -0.14 0.96 0.00 0.61 0.07 0.00 0.00 177.43 178.93 1pfh n GLY 13 N 0.04 0.21 3.35 9.14 0.00 -0.97 -4.60 105.19 112.36 1pfh n GLY 13 Ca -0.04 -1.81 -0.46 0.00 0.00 0.00 0.00 46.02 43.72 1pfh n GLY 13 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 14 N 0.00 6.40 0.10 0.99 1.43 -0.04 -4.95 118.68 122.62 1pfh s LEU 14 Ca 0.00 -2.43 -0.29 0.00 -1.03 0.00 0.00 54.13 50.38 1pfh s LEU 14 Cb 0.00 -2.24 -0.11 0.00 0.03 0.00 0.00 46.19 43.87 1pfh s LEU 14 CO 0.00 -0.70 1.47 0.71 0.23 0.00 0.00 176.35 178.06 1pfh h THR 16 N 5.11 0.00 -0.34 5.49 1.35 -1.93 0.22 112.91 122.82 1pfh h THR 16 Ca 0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 66.41 65.84 1pfh h THR 16 Cb 1.05 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.46 1pfh h THR 16 CO 0.85 0.00 -0.03 0.03 -0.25 0.00 0.00 175.52 176.12 1pfh h ARG 17 N -0.45 0.62 -0.16 4.72 2.47 -2.01 -0.13 114.38 119.44 1pfh h ARG 17 Ca 0.04 -0.21 -0.12 0.00 -1.26 0.00 0.00 59.98 58.43 1pfh h ARG 17 Cb 0.56 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.82 1pfh h ARG 17 CO -0.42 0.76 -0.41 -1.35 0.56 0.00 0.00 179.97 179.11 1pfh h PRO 18 N 0.41 0.36 -0.78 0.04 0.11 -1.94 -1.12 132.00 129.10 1pfh h PRO 18 Ca 0.09 -0.18 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1pfh h PRO 18 Cb 0.50 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 1pfh h PRO 18 CO 0.02 0.71 0.43 0.00 -0.21 0.00 0.00 178.00 178.95 1pfh h ALA 19 N 1.27 0.99 -0.39 -0.75 0.00 -0.43 0.32 119.26 120.28 1pfh h ALA 19 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1pfh h ALA 19 Cb 0.85 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1pfh h ALA 19 CO 0.07 0.50 0.25 0.00 0.00 0.00 0.00 179.25 180.08 1pfh h ALA 20 N 1.22 0.49 -0.66 0.00 0.00 -0.77 -1.24 119.26 118.30 1pfh h ALA 20 Ca 0.27 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1pfh h ALA 20 Cb 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1pfh h ALA 20 CO -0.04 -0.06 0.41 1.96 0.00 0.00 0.00 179.25 181.52 1pfh h GLN 21 N 0.52 0.79 -0.72 0.00 4.20 -0.92 -1.12 115.11 117.85 1pfh h GLN 21 Ca 0.14 -0.05 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1pfh h GLN 21 Cb -0.05 -0.18 -0.05 0.00 0.30 0.00 0.00 27.48 27.50 1pfh h GLN 21 CO -0.04 0.52 0.45 0.35 -0.67 0.00 0.00 178.83 179.44 1pfh h PHE 22 N 0.81 0.83 -0.10 2.96 3.57 -0.17 0.18 116.94 125.01 1pfh h PHE 22 Ca 0.26 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.78 1pfh h PHE 22 Cb 0.01 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.47 1pfh h PHE 22 CO -0.05 0.46 0.06 0.28 -2.23 0.00 0.00 178.31 176.83 1pfh h VAL 23 N 0.86 1.08 -0.65 1.41 2.07 -0.99 0.20 116.25 120.23 1pfh h VAL 23 Ca 0.30 -0.23 0.11 0.00 0.82 0.00 0.00 66.70 67.70 1pfh h VAL 23 Cb 0.06 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 30.81 1pfh h VAL 23 CO -0.13 0.07 0.24 0.50 0.02 0.00 0.00 177.57 178.27 1pfh h LYS 24 N 0.07 0.39 -0.04 1.57 3.11 -0.67 0.79 116.57 121.79 1pfh h LYS 24 Ca 0.04 -0.02 -0.00 0.00 -2.81 0.00 0.00 60.65 57.85 1pfh h LYS 24 Cb 0.07 -0.09 -0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1pfh h LYS 24 CO -0.01 0.26 0.01 1.49 -2.81 0.00 0.00 179.45 178.40 1pfh h GLU 25 N 0.41 0.07 0.00 1.90 4.57 -0.44 -3.24 114.58 117.84 1pfh h GLU 25 Ca 0.34 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.42 1pfh h GLU 25 Cb 0.45 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.02 1pfh h GLU 25 CO -0.34 0.27 -0.41 0.00 -1.18 0.00 0.00 179.01 177.35 1pfh h ALA 26 N 0.79 1.25 -0.52 2.92 0.00 -0.70 -1.70 119.26 121.30 1pfh h ALA 26 Ca 0.01 -0.37 0.15 0.00 0.00 0.00 0.00 54.91 54.70 1pfh h ALA 26 Cb 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1pfh h ALA 26 CO 0.00 0.51 0.52 0.87 0.00 0.00 0.00 179.25 181.15 1pfh h LYS 27 N 0.00 0.00 0.00 0.00 1.79 -0.87 -1.73 116.57 115.76 1pfh h LYS 27 Ca -0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 1pfh h LYS 27 Cb 0.76 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.40 1pfh h LYS 27 CO 0.05 0.00 -0.14 0.78 -1.08 0.00 0.00 179.45 179.06 1pfh h GLY 28 N 0.00 0.00 -5.06 3.86 0.00 -1.40 -3.45 103.07 97.02 1pfh h GLY 28 Ca 0.25 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.95 1pfh h GLY 28 CO -0.00 0.00 -0.36 -1.36 0.00 0.00 0.00 176.54 174.82 1pfh s PHE 29 N -3.74 3.60 0.24 5.60 0.08 -0.65 -5.01 117.98 118.09 1pfh s PHE 29 Ca 0.00 0.64 -0.03 0.00 0.12 0.00 0.00 56.93 57.67 1pfh s PHE 29 Cb 0.10 -2.04 0.27 0.00 -0.57 0.00 0.00 43.02 40.79 1pfh s PHE 29 CO 0.60 0.63 1.70 1.79 -0.10 0.00 0.00 175.22 179.84 1pfh h THR 30 N 3.24 1.26 -3.76 0.64 1.35 -1.88 -3.43 112.91 110.33 1pfh h THR 30 Ca -0.51 -1.15 -0.53 0.00 -0.55 0.00 0.00 66.41 63.67 1pfh h THR 30 Cb 1.20 1.03 0.08 0.00 -1.73 0.00 0.00 68.15 68.74 1pfh h THR 30 CO 0.64 0.39 0.73 -0.94 -0.25 0.00 0.00 175.52 176.10 1pfh s SER 31 N -6.69 6.57 -0.68 5.36 1.04 -1.26 -4.72 113.70 113.31 1pfh s SER 31 Ca -0.09 2.83 -0.18 0.00 0.48 0.00 0.00 55.95 58.99 1pfh s SER 31 Cb 0.14 -2.65 0.13 0.00 0.10 0.00 0.00 66.02 63.74 1pfh s SER 31 CO 0.82 -0.72 0.77 -0.70 0.98 0.00 0.00 173.24 174.39 1pfh s GLU 32 N -1.51 3.23 0.00 4.02 2.12 0.76 -4.84 118.70 122.49 1pfh s GLU 32 Ca 0.53 -1.62 -0.30 0.00 0.36 0.00 0.00 54.97 53.94 1pfh s GLU 32 Cb -0.43 -4.40 -0.04 0.00 0.26 0.00 0.00 34.13 29.52 1pfh s GLU 32 CO 0.54 -1.52 1.10 0.42 -0.54 0.00 0.00 175.26 175.26 1pfh s ILE 33 N 2.16 4.45 -0.15 -3.70 1.01 -1.26 -2.86 121.20 120.85 1pfh s ILE 33 Ca 0.15 1.76 -0.07 0.00 0.00 0.00 0.00 60.65 62.49 1pfh s ILE 33 Cb -0.19 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.11 1pfh s ILE 33 CO 0.01 0.10 0.09 0.42 0.00 0.00 0.00 174.94 175.56 1pfh s THR 34 N 1.32 5.06 -0.79 2.92 -4.23 0.02 -0.01 115.64 119.93 1pfh s THR 34 Ca 0.55 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 60.99 1pfh s THR 34 Cb -0.25 -3.24 0.21 0.00 1.34 0.00 0.00 72.50 70.56 1pfh s THR 34 CO 0.27 0.53 0.70 -0.69 -0.54 0.00 0.00 174.62 174.89 1pfh s VAL 35 N -0.30 5.26 -0.39 2.29 1.01 0.29 -0.84 120.40 127.72 1pfh s VAL 35 Ca 0.10 -2.55 -0.22 0.00 0.00 0.00 0.00 61.98 59.30 1pfh s VAL 35 Cb -0.12 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.00 1pfh s VAL 35 CO 0.01 -1.00 0.71 -0.89 0.00 0.00 0.00 175.10 173.94 1pfh s THR 36 N 0.13 4.78 -0.43 3.92 2.01 -0.53 -0.82 115.64 124.71 1pfh s THR 36 Ca 0.18 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.75 1pfh s THR 36 Cb -0.12 -4.19 0.12 0.00 0.01 0.00 0.00 72.50 68.31 1pfh s THR 36 CO -0.08 -0.48 0.19 -0.55 -0.69 0.00 0.00 174.62 173.01 1pfh s SER 37 N 1.92 4.96 -0.31 3.53 0.15 -0.00 -1.37 113.70 122.58 1pfh s SER 37 Ca 0.27 -2.32 -0.27 0.00 0.70 0.00 0.00 55.95 54.33 1pfh s SER 37 Cb -0.13 -1.74 0.04 0.00 -1.71 0.00 0.00 66.02 62.48 1pfh s SER 37 CO 0.18 -0.42 0.46 -0.46 1.20 0.00 0.00 173.24 174.19 1pfh n ASN 38 N 4.13 -5.67 0.00 5.45 0.23 -1.26 -2.08 115.26 116.06 1pfh n ASN 38 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1pfh n ASN 38 Cb 0.40 -1.55 0.00 0.00 -2.08 0.00 0.00 39.78 36.55 1pfh n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pfh n GLY 39 N 0.26 0.96 3.57 4.83 0.00 -1.26 -4.90 105.19 108.65 1pfh n GLY 39 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1pfh n GLY 39 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1pfh n LYS 40 N 0.00 1.93 -2.21 1.61 5.02 -0.88 -4.93 118.16 118.69 1pfh n LYS 40 Ca 0.00 -2.62 -0.43 0.00 -2.02 0.00 0.00 58.31 53.24 1pfh n LYS 40 Cb 0.00 -3.67 -0.02 0.00 -0.02 0.00 0.00 35.03 31.32 1pfh n LYS 40 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1pfh s SER 41 N 5.97 6.27 -0.58 4.39 0.01 -1.26 -0.82 113.70 127.69 1pfh s SER 41 Ca 0.65 1.19 -0.16 0.00 1.31 0.00 0.00 55.95 58.93 1pfh s SER 41 Cb 0.01 -2.53 0.13 0.00 0.21 0.00 0.00 66.02 63.84 1pfh s SER 41 CO 0.12 -1.42 0.56 0.00 0.41 0.00 0.00 173.24 172.92 1pfh s ALA 42 N 5.62 3.65 -0.10 1.44 0.00 0.00 -4.87 121.76 127.51 1pfh s ALA 42 Ca 0.68 -2.56 -0.34 0.00 0.00 0.00 0.00 51.96 49.74 1pfh s ALA 42 Cb -0.19 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.48 1pfh s ALA 42 CO 0.31 -2.10 1.92 0.45 0.00 0.00 0.00 175.76 176.33 1pfh n SER 43 N 5.32 3.45 0.00 0.00 2.88 -1.26 -0.54 113.62 123.46 1pfh n SER 43 Ca -0.10 0.91 0.01 0.00 -1.33 0.00 0.00 58.87 58.35 1pfh n SER 43 Cb 0.41 -1.38 0.03 0.00 -0.75 0.00 0.00 64.21 62.52 1pfh n SER 43 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pfh n ALA 44 N 7.07 2.26 -0.95 -1.46 0.00 0.98 -1.95 120.51 126.47 1pfh n ALA 44 Ca 0.24 -0.01 0.08 0.00 0.00 0.00 0.00 53.44 53.75 1pfh n ALA 44 Cb 0.31 -1.02 0.35 0.00 0.00 0.00 0.00 19.45 19.09 1pfh n ALA 44 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1pfh n LYS 45 N -0.52 4.10 -3.72 0.00 5.02 -1.26 -3.90 118.16 117.87 1pfh n LYS 45 Ca 0.01 -3.04 -0.17 0.00 -2.02 0.00 0.00 58.31 53.09 1pfh n LYS 45 Cb 0.00 -2.10 -0.16 0.00 -0.02 0.00 0.00 35.03 32.75 1pfh n LYS 45 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1pfh s SER 46 N -1.27 0.50 0.21 4.39 0.15 -0.82 -5.05 113.70 111.81 1pfh s SER 46 Ca 0.50 0.12 -0.09 0.00 0.70 0.00 0.00 55.95 57.18 1pfh s SER 46 Cb 0.39 -0.03 0.27 0.00 -1.71 0.00 0.00 66.02 64.94 1pfh s SER 46 CO 0.13 -0.19 1.79 -0.07 1.20 0.00 0.00 173.24 176.10 1pfh h LEU 47 N 7.81 0.48 -0.80 3.45 -0.00 -1.91 -2.76 115.31 121.58 1pfh h LEU 47 Ca -0.30 0.05 -0.07 0.00 -0.00 0.00 0.00 57.88 57.56 1pfh h LEU 47 Cb 1.12 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 41.71 1pfh h LEU 47 CO 0.32 0.29 0.16 -0.26 -0.00 0.00 0.00 178.44 178.96 1pfh h PHE 48 N 0.62 1.11 0.27 1.13 0.04 -1.97 -3.32 116.94 114.83 1pfh h PHE 48 Ca 0.31 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1pfh h PHE 48 Cb 0.27 -0.32 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1pfh h PHE 48 CO -0.10 0.91 -0.35 0.87 -0.60 0.00 0.00 178.31 179.04 1pfh h LYS 49 N 1.01 -0.65 -0.06 1.51 1.79 -1.76 0.57 116.57 118.98 1pfh h LYS 49 Ca 0.21 0.04 -0.09 0.00 -2.18 0.00 0.00 60.65 58.64 1pfh h LYS 49 Cb 0.36 0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1pfh h LYS 49 CO 0.00 -0.43 -0.37 -0.07 -1.08 0.00 0.00 179.45 177.50 1pfh h LEU 50 N -0.68 0.13 -0.00 2.94 4.07 -1.69 -1.06 115.31 119.02 1pfh h LEU 50 Ca -0.01 -0.05 -0.25 0.00 0.08 0.00 0.00 57.88 57.66 1pfh h LEU 50 Cb 0.64 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.34 1pfh h LEU 50 CO -0.11 0.49 -1.11 1.56 -1.08 0.00 0.00 178.44 178.19 1pfh h GLN 51 N 0.11 0.26 0.05 1.13 4.20 -1.52 -3.30 115.11 116.03 1pfh h GLN 51 Ca 0.01 -0.38 -0.23 0.00 0.06 0.00 0.00 58.65 58.11 1pfh h GLN 51 Cb 0.71 0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 1pfh h GLN 51 CO 0.05 1.14 -1.06 0.00 -0.67 0.00 0.00 178.83 178.29 1pfh h THR 52 N 0.10 1.58 -0.41 -0.54 1.03 -0.62 -3.36 112.91 110.69 1pfh h THR 52 Ca -0.10 -3.10 0.08 0.00 -0.01 0.00 0.00 66.41 63.28 1pfh h THR 52 Cb 1.81 2.80 -0.08 0.00 -1.07 0.00 0.00 68.15 71.61 1pfh h THR 52 CO 0.18 0.90 -0.09 0.25 -0.01 0.00 0.00 175.52 176.75 1pfh h LEU 53 N 0.05 -0.35 -0.64 0.00 5.85 -1.28 -3.48 115.31 115.47 1pfh h LEU 53 Ca -0.07 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1pfh h LEU 53 Cb 1.79 0.24 0.00 0.00 0.37 0.00 0.00 40.66 43.06 1pfh h LEU 53 CO 0.16 -0.12 0.00 0.61 -0.34 0.00 0.00 178.44 178.75 1pfh n GLY 54 N -1.31 -0.67 3.18 3.75 0.00 -1.25 -5.08 105.19 103.80 1pfh n GLY 54 Ca 0.03 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.03 1pfh n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pfh s LEU 55 N -0.02 5.55 0.25 0.99 1.43 -1.26 -4.94 118.68 120.68 1pfh s LEU 55 Ca 0.00 -2.01 -0.12 0.00 -1.03 0.00 0.00 54.13 50.97 1pfh s LEU 55 Cb 0.00 -1.95 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 1pfh s LEU 55 CO 0.00 -0.63 0.46 0.28 0.23 0.00 0.00 176.35 176.69 1pfh s THR 56 N 1.20 0.00 -0.25 5.49 -1.32 -1.26 -0.86 115.64 118.65 1pfh s THR 56 Ca 0.07 -1.45 -0.38 0.00 -1.21 0.00 0.00 61.69 58.72 1pfh s THR 56 Cb -0.25 -2.26 -0.14 0.00 -1.51 0.00 0.00 72.50 68.35 1pfh s THR 56 CO -0.02 0.00 1.86 1.67 -2.21 0.00 0.00 174.62 175.91 1pfh n GLN 57 N -0.39 1.39 0.00 7.08 7.27 -1.15 -1.68 117.38 129.90 1pfh n GLN 57 Ca -0.01 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.55 1pfh n GLN 57 Cb 0.62 -2.29 0.00 0.00 2.41 0.00 0.00 30.24 30.98 1pfh n GLN 57 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1pfh n GLY 58 N 4.66 1.17 3.55 1.69 0.00 -0.51 -5.04 105.19 110.71 1pfh n GLY 58 Ca 0.28 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 1pfh n GLY 58 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pfh s THR 59 N -1.56 3.09 -0.32 2.61 -4.23 -0.67 -4.76 115.64 109.79 1pfh s THR 59 Ca 0.00 0.06 -0.29 0.00 -1.18 0.00 0.00 61.69 60.28 1pfh s THR 59 Cb 0.00 -3.22 0.01 0.00 1.34 0.00 0.00 72.50 70.63 1pfh s THR 59 CO 0.00 -0.21 1.14 -0.69 -0.54 0.00 0.00 174.62 174.33 1pfh s VAL 60 N 11.21 4.39 -0.07 2.29 1.01 -1.26 -1.37 120.40 136.60 1pfh s VAL 60 Ca 0.91 1.59 0.02 0.00 0.00 0.00 0.00 61.98 64.51 1pfh s VAL 60 Cb -0.17 -4.34 0.01 0.00 0.00 0.00 0.00 36.38 31.88 1pfh s VAL 60 CO 0.26 -0.49 -0.13 0.68 0.00 0.00 0.00 175.10 175.41 1pfh s VAL 61 N 3.87 1.22 -0.74 2.92 -7.23 0.58 -4.56 120.40 116.46 1pfh s VAL 61 Ca 0.49 -0.52 -0.21 0.00 -1.81 0.00 0.00 61.98 59.93 1pfh s VAL 61 Cb -0.13 -1.11 0.09 0.00 0.56 0.00 0.00 36.38 35.79 1pfh s VAL 61 CO 0.18 0.37 0.99 -0.89 -0.31 0.00 0.00 175.10 175.45 1pfh s THR 62 N 0.68 4.48 -0.67 5.32 2.01 -0.47 -0.81 115.64 126.18 1pfh s THR 62 Ca -0.14 -0.78 -0.26 0.00 0.31 0.00 0.00 61.69 60.82 1pfh s THR 62 Cb -0.16 -4.70 -0.05 0.00 0.01 0.00 0.00 72.50 67.61 1pfh s THR 62 CO 0.04 -1.45 2.03 -0.63 -0.69 0.00 0.00 174.62 173.91 1pfh s ILE 63 N 3.54 3.28 -0.39 1.82 1.01 -0.12 -1.45 121.20 128.90 1pfh s ILE 63 Ca 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.86 1pfh s ILE 63 Cb -0.14 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.71 1pfh s ILE 63 CO 0.04 -0.68 0.19 -0.44 0.00 0.00 0.00 174.94 174.04 1pfh s SER 64 N 9.06 5.32 -0.67 3.58 0.01 -0.02 -1.06 113.70 129.92 1pfh s SER 64 Ca 0.75 -1.72 -0.24 0.00 1.31 0.00 0.00 55.95 56.06 1pfh s SER 64 Cb -0.12 -1.86 0.06 0.00 0.21 0.00 0.00 66.02 64.31 1pfh s SER 64 CO 0.16 -0.49 1.03 0.00 0.41 0.00 0.00 173.24 174.35 1pfh s ALA 65 N 1.26 3.04 -0.65 1.44 0.00 0.22 -0.80 121.76 126.26 1pfh s ALA 65 Ca 0.04 -1.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.12 1pfh s ALA 65 Cb -0.22 -3.94 0.16 0.00 0.00 0.00 0.00 23.12 19.11 1pfh s ALA 65 CO -0.02 -2.87 0.62 -2.00 0.00 0.00 0.00 175.76 171.49 1pfh s GLU 66 N 4.42 3.22 0.00 0.00 2.12 -1.14 -2.07 118.70 125.25 1pfh s GLU 66 Ca 0.25 -1.95 0.00 0.00 0.36 0.00 0.00 54.97 53.63 1pfh s GLU 66 Cb -0.15 -4.35 0.00 0.00 0.26 0.00 0.00 34.13 29.89 1pfh s GLU 66 CO 0.11 -1.34 0.00 0.41 -0.54 0.00 0.00 175.26 173.91 1pfh n GLY 67 N 4.81 0.25 0.27 -1.50 0.00 -1.26 -0.17 105.19 107.58 1pfh n GLY 67 Ca -0.03 -1.56 0.10 0.00 0.00 0.00 0.00 46.02 44.53 1pfh n GLY 67 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1pfh h GLU 68 N 0.92 0.00 -1.64 1.61 5.08 -1.94 -3.03 114.58 115.59 1pfh h GLU 68 Ca 0.00 0.00 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1pfh h GLU 68 Cb 0.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 28.85 1pfh h GLU 68 CO 0.00 0.03 -0.43 -0.40 -1.00 0.00 0.00 179.01 177.21 1pfh n ASP 69 N -4.29 5.16 -0.07 1.42 5.68 -1.26 -4.93 116.55 118.27 1pfh n ASP 69 Ca -0.03 -3.74 -0.09 0.00 -0.50 0.00 0.00 54.79 50.43 1pfh n ASP 69 Cb 0.11 -0.57 -0.03 0.00 -1.14 0.00 0.00 41.12 39.49 1pfh n ASP 69 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 1pfh h GLU 70 N 2.68 -0.33 0.24 0.11 4.11 -1.79 -2.59 114.58 117.00 1pfh h GLU 70 Ca 0.34 0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.79 1pfh h GLU 70 Cb 0.76 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1pfh h GLU 70 CO 0.94 -0.22 -0.18 -0.56 0.07 0.00 0.00 179.01 179.07 1pfh h GLN 71 N -0.34 -0.40 -0.43 1.06 -0.00 -1.91 -3.10 115.11 109.99 1pfh h GLN 71 Ca 0.13 0.03 0.06 0.00 -0.00 0.00 0.00 58.65 58.87 1pfh h GLN 71 Cb 0.56 0.09 -0.05 0.00 -0.00 0.00 0.00 27.48 28.08 1pfh h GLN 71 CO -0.47 -0.27 0.12 0.87 -0.00 0.00 0.00 178.83 179.08 1pfh h LYS 72 N -0.42 0.26 0.33 0.06 1.57 -1.90 -2.37 116.57 114.11 1pfh h LYS 72 Ca -0.01 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1pfh h LYS 72 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.62 1pfh h LYS 72 CO -0.00 0.17 -0.16 0.00 -0.57 0.00 0.00 179.45 178.89 1pfh h ALA 73 N 1.30 -0.45 0.06 3.86 0.00 -1.50 -2.29 119.26 120.24 1pfh h ALA 73 Ca 0.20 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1pfh h ALA 73 Cb 0.22 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1pfh h ALA 73 CO -0.24 -0.73 -0.03 0.28 0.00 0.00 0.00 179.25 178.54 1pfh h VAL 74 N -0.50 0.97 0.11 0.00 2.07 -1.43 -2.53 116.25 114.94 1pfh h VAL 74 Ca -0.05 -0.09 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1pfh h VAL 74 Cb 0.37 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1pfh h VAL 74 CO 0.08 0.02 -0.41 -0.08 0.02 0.00 0.00 177.57 177.20 1pfh h GLU 75 N -0.12 -0.61 -0.26 1.57 4.81 -1.40 -0.86 114.58 117.69 1pfh h GLU 75 Ca -0.01 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1pfh h GLU 75 Cb 0.10 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.57 1pfh h GLU 75 CO 0.01 -0.41 -0.07 1.25 -0.73 0.00 0.00 179.01 179.06 1pfh h HIS 76 N -0.63 -0.16 -0.43 0.92 2.76 -1.37 -1.28 115.15 114.96 1pfh h HIS 76 Ca 0.02 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.11 1pfh h HIS 76 Cb 0.67 0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 1pfh h HIS 76 CO -0.36 -0.12 -0.19 -0.07 -1.30 0.00 0.00 177.93 175.88 1pfh h LEU 77 N -0.01 0.84 -0.34 0.26 3.38 -1.18 0.12 115.31 118.37 1pfh h LEU 77 Ca 0.13 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1pfh h LEU 77 Cb 0.21 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 1pfh h LEU 77 CO -0.28 1.02 0.09 0.58 0.09 0.00 0.00 178.44 179.94 1pfh h VAL 78 N 0.73 1.22 -0.18 1.22 2.07 -0.87 -1.10 116.25 119.34 1pfh h VAL 78 Ca 0.11 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1pfh h VAL 78 Cb 0.71 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1pfh h VAL 78 CO 0.05 0.24 0.04 0.11 0.02 0.00 0.00 177.57 178.04 1pfh h LYS 79 N 0.40 0.11 -0.16 1.57 1.57 -0.91 0.32 116.57 119.47 1pfh h LYS 79 Ca 0.11 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1pfh h LYS 79 Cb 0.28 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.51 1pfh h LYS 79 CO -0.00 0.08 -0.15 1.25 -0.57 0.00 0.00 179.45 180.05 1pfh h LEU 80 N 0.12 -0.48 -0.52 2.94 5.85 -0.88 0.17 115.31 122.51 1pfh h LEU 80 Ca 0.08 0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1pfh h LEU 80 Cb 0.07 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1pfh h LEU 80 CO -0.10 -0.19 0.34 -0.03 -0.34 0.00 0.00 178.44 178.11 1pfh h MET 81 N -0.17 0.66 -0.59 1.25 4.05 -0.99 -0.95 114.93 118.20 1pfh h MET 81 Ca 0.11 -0.04 -0.09 0.00 -0.28 0.00 0.00 59.70 59.40 1pfh h MET 81 Cb 0.33 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 30.95 1pfh h MET 81 CO -0.27 0.44 0.03 0.00 0.23 0.00 0.00 176.91 177.34 1pfh h ALA 82 N 1.20 0.93 0.00 0.39 0.00 -0.23 -3.19 119.26 118.36 1pfh h ALA 82 Ca 0.20 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1pfh h ALA 82 Cb -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1pfh h ALA 82 CO -0.06 0.65 0.00 0.93 0.00 0.00 0.00 179.25 180.77 1pfh h GLU 83 N 0.93 0.00 -6.26 0.00 5.08 -0.41 -3.46 114.58 110.46 1pfh h GLU 83 Ca 0.17 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.98 1pfh h GLU 83 Cb 0.50 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 1pfh h GLU 83 CO 0.02 0.00 0.67 -0.51 -1.00 0.00 0.00 179.01 178.19 1pfh s LEU 84 N -6.13 4.25 0.00 1.33 1.43 -0.38 -5.07 118.68 114.10 1pfh s LEU 84 Ca 0.07 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 1pfh s LEU 84 Cb 0.06 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.72 1pfh s LEU 84 CO 0.66 -0.55 0.08 -0.62 0.23 0.00 0.00 176.35 176.16