#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkh s VAL 5 N 0.00 4.92 -0.24 0.52 1.01 -1.26 -3.74 120.40 121.61 3fkh s VAL 5 Ca 0.00 0.33 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 3fkh s VAL 5 Cb 0.00 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.74 3fkh s VAL 5 CO 0.00 -0.34 0.05 0.21 0.00 0.00 0.00 175.10 175.02 3fkh s ASN 6 N -3.01 3.41 -0.03 3.32 2.47 0.25 -5.01 114.94 116.34 3fkh s ASN 6 Ca 0.47 -1.15 -0.30 0.00 0.42 0.00 0.00 52.86 52.30 3fkh s ASN 6 Cb -0.11 -0.74 -0.05 0.00 -1.45 0.00 0.00 41.25 38.90 3fkh s ASN 6 CO 0.29 -0.34 1.53 -0.63 -3.72 0.00 0.00 177.10 174.22 3fkh s ILE 7 N 1.74 3.63 0.21 -5.21 1.01 -1.26 -1.27 121.20 120.04 3fkh s ILE 7 Ca 0.02 0.90 -0.08 0.00 0.00 0.00 0.00 60.65 61.49 3fkh s ILE 7 Cb -0.17 -3.58 -0.07 0.00 0.01 0.00 0.00 42.46 38.65 3fkh s ILE 7 CO -0.15 -0.04 0.50 -0.76 0.00 0.00 0.00 174.94 174.49 3fkh s LEU 8 N 3.27 4.19 0.72 2.97 1.43 -0.35 -4.97 118.68 125.95 3fkh s LEU 8 Ca 0.68 0.83 -0.09 0.00 -1.03 0.00 0.00 54.13 54.52 3fkh s LEU 8 Cb -0.32 -3.58 0.05 0.00 0.03 0.00 0.00 46.19 42.37 3fkh s LEU 8 CO 0.27 -0.04 1.07 0.54 0.23 0.00 0.00 176.35 178.42 3fkh s ASN 9 N -2.39 4.91 0.32 2.29 2.20 -1.26 -4.38 114.94 116.63 3fkh s ASN 9 Ca 0.46 0.70 0.02 0.00 -0.94 0.00 0.00 52.86 53.09 3fkh s ASN 9 Cb -0.11 -1.36 0.58 0.00 -2.00 0.00 0.00 41.25 38.35 3fkh s ASN 9 CO 0.22 -1.59 1.94 -0.33 -2.94 0.00 0.00 177.10 174.40 3fkh h GLU 10 N -0.70 0.93 -0.36 3.55 5.08 -1.98 -1.04 114.58 120.06 3fkh h GLU 10 Ca -0.45 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 57.79 3fkh h GLU 10 Cb 1.30 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3fkh h GLU 10 CO 0.63 0.62 -0.01 0.37 -1.00 0.00 0.00 179.01 179.61 3fkh h GLN 11 N 0.96 0.64 -0.43 2.33 5.75 -1.98 0.04 115.11 122.41 3fkh h GLN 11 Ca 0.34 -0.21 0.01 0.00 -0.15 0.00 0.00 58.65 58.64 3fkh h GLN 11 Cb 0.14 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.61 3fkh h GLN 11 CO -0.11 0.76 0.28 0.93 -2.65 0.00 0.00 178.83 178.04 3fkh h GLU 12 N 0.45 0.56 -0.04 1.69 5.08 -1.85 0.15 114.58 120.62 3fkh h GLU 12 Ca 0.10 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3fkh h GLU 12 Cb 0.48 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.60 3fkh h GLU 12 CO 0.02 0.37 0.01 0.00 -1.00 0.00 0.00 179.01 178.41 3fkh h ALA 13 N 1.16 0.04 -0.72 3.43 0.00 -1.07 -1.57 119.26 120.53 3fkh h ALA 13 Ca 0.16 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3fkh h ALA 13 Cb -0.06 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3fkh h ALA 13 CO -0.04 -0.47 0.47 -0.07 0.00 0.00 0.00 179.25 179.14 3fkh h LEU 14 N 0.03 0.79 -0.59 0.00 4.07 -0.87 -1.41 115.31 117.33 3fkh h LEU 14 Ca 0.02 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 3fkh h LEU 14 Cb 0.01 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.54 3fkh h LEU 14 CO -0.02 0.56 0.37 -0.33 -1.08 0.00 0.00 178.44 177.94 3fkh h GLU 15 N 0.94 0.79 -0.06 1.13 5.08 -0.78 -1.01 114.58 120.68 3fkh h GLU 15 Ca 0.27 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 3fkh h GLU 15 Cb -0.06 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3fkh h GLU 15 CO -0.08 0.55 -0.27 0.00 -1.00 0.00 0.00 179.01 178.21 3fkh h ARG 16 N 0.80 0.10 -0.38 2.33 3.08 -1.04 -2.28 114.38 117.00 3fkh h ARG 16 Ca 0.21 -0.03 -0.11 0.00 0.07 0.00 0.00 59.98 60.12 3fkh h ARG 16 Cb -0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3fkh h ARG 16 CO -0.04 0.37 -0.22 1.25 -1.07 0.00 0.00 179.97 180.26 3fkh h LEU 17 N 0.09 0.75 -0.49 3.04 5.85 -0.66 -2.73 115.31 121.17 3fkh h LEU 17 Ca 0.01 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3fkh h LEU 17 Cb 0.53 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3fkh h LEU 17 CO 0.04 0.95 0.00 1.56 -0.34 0.00 0.00 178.44 180.64 3fkh h GLN 18 N 0.65 0.00 -0.00 1.25 4.20 -0.65 -3.23 115.11 117.33 3fkh h GLN 18 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 3fkh h GLN 18 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3fkh h GLN 18 CO 0.05 0.00 -0.14 -1.13 -0.67 0.00 0.00 178.83 176.95 3fkh n SER 19 N -2.43 0.34 -4.18 1.46 3.41 -0.99 -4.86 113.62 106.37 3fkh n SER 19 Ca 0.03 -0.27 -0.11 0.00 -0.26 0.00 0.00 58.87 58.26 3fkh n SER 19 Cb 0.34 -0.13 -0.10 0.00 -0.26 0.00 0.00 64.21 64.06 3fkh n SER 19 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3fkh s VAL 20 N -2.67 0.78 -0.37 -3.33 -7.23 -1.22 -5.07 120.40 101.29 3fkh s VAL 20 Ca 0.23 -1.93 0.06 0.00 -1.81 0.00 0.00 61.98 58.53 3fkh s VAL 20 Cb 0.19 -1.68 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 3fkh s VAL 20 CO 0.52 -0.83 0.33 -1.54 -0.31 0.00 0.00 175.10 173.27 3fkh n SER 21 N -0.02 0.52 -4.52 4.85 3.41 -1.26 -4.92 113.62 111.68 3fkh n SER 21 Ca -0.12 -0.76 -0.35 0.00 -0.26 0.00 0.00 58.87 57.38 3fkh n SER 21 Cb 0.61 0.79 -0.11 0.00 -0.26 0.00 0.00 64.21 65.23 3fkh n SER 21 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3fkh s LEU 22 N -1.90 3.51 0.00 1.04 2.96 -1.26 -0.62 118.68 122.41 3fkh s LEU 22 Ca 0.03 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.85 3fkh s LEU 22 Cb 0.04 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.84 3fkh s LEU 22 CO 0.19 0.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.93 3fkh n GLY 23 N 4.04 4.22 2.96 7.98 0.00 0.17 -4.69 105.19 119.87 3fkh n GLY 23 Ca -0.17 -1.69 -0.14 0.00 0.00 0.00 0.00 46.02 44.03 3fkh n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fkh s ARG 24 N -1.63 0.34 -0.11 1.61 3.00 -0.02 -0.10 118.95 122.04 3fkh s ARG 24 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 55.73 55.45 3fkh s ARG 24 Cb 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 34.95 34.69 3fkh s ARG 24 CO 0.00 0.06 -0.16 0.08 0.00 0.00 0.00 175.30 175.28 3fkh s VAL 25 N -0.46 2.79 -0.23 3.52 1.01 -0.65 -0.80 120.40 125.59 3fkh s VAL 25 Ca -0.02 -0.76 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 3fkh s VAL 25 Cb -0.04 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 3fkh s VAL 25 CO -0.00 0.54 0.07 -0.69 0.00 0.00 0.00 175.10 175.02 3fkh s VAL 26 N 0.22 4.46 0.25 2.92 1.01 0.11 -2.25 120.40 127.12 3fkh s VAL 26 Ca -0.10 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 61.83 3fkh s VAL 26 Cb -0.16 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 3fkh s VAL 26 CO 0.06 0.37 0.04 0.68 0.00 0.00 0.00 175.10 176.25 3fkh s VAL 27 N 1.24 3.71 -0.05 2.92 -7.23 0.07 -1.80 120.40 119.26 3fkh s VAL 27 Ca 0.05 -1.72 -0.11 0.00 -1.81 0.00 0.00 61.98 58.38 3fkh s VAL 27 Cb -0.14 -2.97 0.02 0.00 0.56 0.00 0.00 36.38 33.85 3fkh s VAL 27 CO 0.03 -0.32 0.27 -0.60 -0.31 0.00 0.00 175.10 174.17 3fkh s ARG 28 N -3.58 0.49 -0.25 4.82 3.52 -1.26 -1.38 118.95 121.30 3fkh s ARG 28 Ca 0.31 0.02 -0.02 0.00 -0.13 0.00 0.00 55.73 55.91 3fkh s ARG 28 Cb -0.07 0.22 0.11 0.00 -1.56 0.00 0.00 34.95 33.65 3fkh s ARG 28 CO 0.21 -0.11 0.24 0.50 -0.81 0.00 0.00 175.30 175.33 3fkh s ARG 29 N -0.71 0.25 4.69 5.12 3.52 -0.67 0.16 118.95 131.31 3fkh s ARG 29 Ca -0.08 -0.04 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 3fkh s ARG 29 Cb -0.04 -0.95 0.00 0.00 -1.56 0.00 0.00 34.95 32.40 3fkh s ARG 29 CO 0.02 -0.87 0.00 0.43 -0.81 0.00 0.00 175.30 174.07 3fkh n SER 30 N 5.31 0.00 0.08 -2.12 7.64 -1.26 -2.20 113.62 121.07 3fkh n SER 30 Ca -0.04 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.65 3fkh n SER 30 Cb 0.47 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.53 3fkh n SER 30 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3fkh h ASP 31 N 0.00 0.50 -4.07 6.43 3.32 -2.03 -3.53 116.42 117.03 3fkh h ASP 31 Ca 0.00 -0.65 -0.45 0.00 0.02 0.00 0.00 57.03 55.96 3fkh h ASP 31 Cb 0.00 -0.16 0.15 0.00 0.22 0.00 0.00 39.33 39.54 3fkh h ASP 31 CO 0.00 1.53 0.38 -1.61 -1.72 0.00 0.00 179.24 177.81 3fkh s GLU 32 N -2.61 0.65 0.02 3.56 2.02 -0.94 -5.15 118.70 116.25 3fkh s GLU 32 Ca -0.09 -0.23 -0.28 0.00 0.02 0.00 0.00 54.97 54.39 3fkh s GLU 32 Cb 0.06 -1.83 0.10 0.00 0.10 0.00 0.00 34.13 32.56 3fkh s GLU 32 CO 0.87 -2.44 0.82 0.34 0.02 0.00 0.00 175.26 174.88 3fkh s ASP 34 N -4.64 -0.42 -0.04 -0.19 -1.08 -0.48 -1.67 116.67 108.14 3fkh s ASP 34 Ca 0.71 0.05 0.01 0.00 -0.52 0.00 0.00 52.55 52.80 3fkh s ASP 34 Cb -0.07 0.43 0.02 0.00 -1.46 0.00 0.00 42.92 41.85 3fkh s ASP 34 CO 0.53 -0.68 -0.05 -0.51 0.52 0.00 0.00 175.17 174.98 3fkh s ILE 35 N -3.06 0.56 0.01 4.11 2.07 -1.26 -0.75 121.20 122.88 3fkh s ILE 35 Ca 0.03 -0.14 0.01 0.00 -1.41 0.00 0.00 60.65 59.14 3fkh s ILE 35 Cb -0.01 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 41.99 3fkh s ILE 35 CO -0.08 0.23 -0.03 0.72 -1.91 0.00 0.00 174.94 173.86 3fkh s PHE 36 N 0.89 0.26 0.45 3.50 -0.12 -0.95 -5.00 117.98 117.01 3fkh s PHE 36 Ca -0.12 -0.21 -0.23 0.00 -0.05 0.00 0.00 56.93 56.33 3fkh s PHE 36 Cb -0.14 -0.17 -0.08 0.00 -0.63 0.00 0.00 43.02 42.00 3fkh s PHE 36 CO 0.00 -0.06 1.13 -1.25 -0.05 0.00 0.00 175.22 174.99 3fkh s PRO 37 N -0.58 3.82 0.04 1.99 0.04 -1.26 -1.63 135.00 137.42 3fkh s PRO 37 Ca -0.04 1.67 0.02 0.00 0.04 0.00 0.00 61.00 62.68 3fkh s PRO 37 Cb -0.04 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 3fkh s PRO 37 CO -0.00 -0.47 -0.06 0.14 0.04 0.00 0.00 177.00 176.64 3fkh s VAL 38 N -1.62 0.42 -0.22 -0.36 -7.23 0.86 -4.88 120.40 107.37 3fkh s VAL 38 Ca 0.63 -1.01 -0.12 0.00 -1.81 0.00 0.00 61.98 59.67 3fkh s VAL 38 Cb -0.26 -0.51 -0.05 0.00 0.56 0.00 0.00 36.38 36.13 3fkh s VAL 38 CO 0.31 -0.40 0.23 0.20 -0.31 0.00 0.00 175.10 175.14 3fkh s ASN 39 N -1.51 6.23 0.28 4.85 0.01 -1.26 -0.66 114.94 122.89 3fkh s ASN 39 Ca -0.11 0.25 0.02 0.00 -0.71 0.00 0.00 52.86 52.31 3fkh s ASN 39 Cb -0.10 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.36 3fkh s ASN 39 CO 0.00 0.03 0.08 0.72 -1.51 0.00 0.00 177.10 176.42 3fkh s PHE 40 N 1.07 1.67 -0.10 2.20 -0.71 0.21 -4.24 117.98 118.08 3fkh s PHE 40 Ca 0.11 -1.11 -0.06 0.00 -1.04 0.00 0.00 56.93 54.83 3fkh s PHE 40 Cb -0.14 -1.01 0.04 0.00 -1.21 0.00 0.00 43.02 40.70 3fkh s PHE 40 CO 0.05 -0.23 0.25 -1.50 -1.34 0.00 0.00 175.22 172.45 3fkh s ILE 41 N -3.61 -0.03 -0.05 -4.49 1.10 -0.59 -4.69 121.20 108.83 3fkh s ILE 41 Ca 0.37 0.10 -0.19 0.00 -0.51 0.00 0.00 60.65 60.43 3fkh s ILE 41 Cb 0.08 -0.38 -0.05 0.00 0.15 0.00 0.00 42.46 42.26 3fkh s ILE 41 CO 0.14 0.04 0.52 -0.69 -2.11 0.00 0.00 174.94 172.84 3fkh s VAL 42 N 0.92 5.05 -0.24 4.00 1.01 -1.26 -0.53 120.40 129.35 3fkh s VAL 42 Ca -0.06 1.06 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 3fkh s VAL 42 Cb -0.08 -3.85 0.12 0.00 0.00 0.00 0.00 36.38 32.58 3fkh s VAL 42 CO -0.06 0.40 0.44 -0.62 0.00 0.00 0.00 175.10 175.26 3fkh s ASP 43 N 0.04 -0.22 -1.28 3.32 2.15 0.03 -4.95 116.67 115.76 3fkh s ASP 43 Ca 0.28 0.68 -0.01 0.00 0.43 0.00 0.00 52.55 53.93 3fkh s ASP 43 Cb -0.17 1.40 0.00 0.00 -0.30 0.00 0.00 42.92 43.86 3fkh s ASP 43 CO 0.14 -0.26 0.81 0.29 -0.17 0.00 0.00 175.17 175.98 3fkh n LYS 44 N 5.39 -5.54 -0.09 4.34 5.02 -1.26 -2.68 118.16 123.34 3fkh n LYS 44 Ca -0.06 0.70 0.00 0.00 -2.02 0.00 0.00 58.31 56.93 3fkh n LYS 44 Cb 0.50 -5.42 0.00 0.00 -0.02 0.00 0.00 35.03 30.09 3fkh n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fkh n GLY 45 N -1.44 2.54 3.69 0.72 0.00 -1.26 -5.01 105.19 104.43 3fkh n GLY 45 Ca -0.28 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3fkh n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fkh s ALA 46 N -2.90 3.27 -0.19 4.61 0.00 -1.09 -4.42 121.76 121.03 3fkh s ALA 46 Ca 0.00 -1.42 -0.07 0.00 0.00 0.00 0.00 51.96 50.47 3fkh s ALA 46 Cb 0.00 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 3fkh s ALA 46 CO 0.00 0.41 0.05 0.42 0.00 0.00 0.00 175.76 176.64 3fkh s ILE 47 N -1.91 4.58 -0.13 0.00 1.01 0.45 -0.79 121.20 124.40 3fkh s ILE 47 Ca 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 60.65 60.81 3fkh s ILE 47 Cb -0.09 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.29 3fkh s ILE 47 CO 0.20 0.44 -0.05 -0.31 0.00 0.00 0.00 174.94 175.22 3fkh s TYR 48 N 0.64 3.00 0.02 3.97 1.51 0.31 -0.20 117.35 126.59 3fkh s TYR 48 Ca 0.03 -0.24 0.03 0.00 -1.01 0.00 0.00 57.07 55.88 3fkh s TYR 48 Cb -0.13 -1.89 -0.01 0.00 -0.11 0.00 0.00 41.96 39.81 3fkh s TYR 48 CO 0.02 0.04 -0.10 0.42 -1.11 0.00 0.00 175.55 174.82 3fkh s ILE 49 N 0.08 0.80 -0.13 2.71 1.01 -0.86 -1.55 121.20 123.26 3fkh s ILE 49 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 60.65 59.92 3fkh s ILE 49 Cb -0.14 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.58 3fkh s ILE 49 CO 0.03 0.05 0.01 -0.60 0.00 0.00 0.00 174.94 174.42 3fkh s ARG 50 N -0.71 3.49 0.06 2.79 3.52 -1.26 -0.75 118.95 126.08 3fkh s ARG 50 Ca 0.01 -0.42 0.05 0.00 -0.13 0.00 0.00 55.73 55.23 3fkh s ARG 50 Cb -0.06 -2.95 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 3fkh s ARG 50 CO 0.00 0.44 -0.13 -0.08 -0.81 0.00 0.00 175.30 174.71 3fkh s THR 51 N -0.14 1.06 -0.01 4.11 -1.32 0.12 -4.88 115.64 114.59 3fkh s THR 51 Ca 0.05 -1.15 -0.06 0.00 -1.21 0.00 0.00 61.69 59.32 3fkh s THR 51 Cb -0.13 -1.00 -0.29 0.00 -1.51 0.00 0.00 72.50 69.58 3fkh s THR 51 CO 0.02 -0.14 0.82 0.00 -2.21 0.00 0.00 174.62 173.11 3fkh h ALA 52 N 4.59 0.21 -0.53 11.08 0.00 -1.84 -0.18 119.26 132.58 3fkh h ALA 52 Ca -0.39 -1.10 -0.42 0.00 0.00 0.00 0.00 54.91 53.00 3fkh h ALA 52 Cb 1.19 0.31 -0.16 0.00 0.00 0.00 0.00 17.79 19.13 3fkh h ALA 52 CO 0.42 1.08 0.42 0.39 0.00 0.00 0.00 179.25 181.56 3fkh n GLU 53 N -3.51 2.13 -0.27 0.00 1.02 -1.26 -4.68 120.64 114.08 3fkh n GLU 53 Ca -0.18 -2.02 -0.03 0.00 -0.02 0.00 0.00 57.16 54.91 3fkh n GLU 53 Cb 1.06 -1.90 0.09 0.00 -0.02 0.00 0.00 31.44 30.66 3fkh n GLU 53 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3fkh h GLY 54 N 3.17 1.07 0.99 0.62 0.00 -1.91 -0.86 103.07 106.15 3fkh h GLY 54 Ca 0.35 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 3fkh h GLY 54 CO 0.85 0.30 -0.26 3.43 0.00 0.00 0.00 176.54 180.87 3fkh h ASN 55 N 0.92 0.79 0.39 0.19 2.35 -1.97 -2.39 115.58 115.86 3fkh h ASN 55 Ca 0.30 -0.45 -0.02 0.00 -0.55 0.00 0.00 56.30 55.58 3fkh h ASN 55 Cb 0.01 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.16 3fkh h ASN 55 CO -0.11 1.07 -0.19 0.50 -1.65 0.00 0.00 177.43 177.06 3fkh h LYS 56 N 0.51 -0.50 -1.01 0.81 3.64 -1.87 -1.46 116.57 116.69 3fkh h LYS 56 Ca 0.06 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3fkh h LYS 56 Cb 0.83 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 32.70 3fkh h LYS 56 CO 0.07 -0.32 0.66 -0.07 -2.27 0.00 0.00 179.45 177.52 3fkh h LEU 57 N -0.54 1.10 -0.85 5.20 3.38 -1.21 -1.72 115.31 120.67 3fkh h LEU 57 Ca -0.05 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 3fkh h LEU 57 Cb 0.41 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3fkh h LEU 57 CO 0.09 0.75 -0.44 0.15 0.09 0.00 0.00 178.44 179.07 3fkh h PHE 58 N 1.27 0.34 -0.80 1.13 3.57 -1.38 -3.40 116.94 117.67 3fkh h PHE 58 Ca 0.40 -0.10 -0.74 0.00 3.53 0.00 0.00 57.97 61.07 3fkh h PHE 58 Cb 0.01 -0.07 -0.11 0.00 2.79 0.00 0.00 35.95 38.57 3fkh h PHE 58 CO -0.00 0.68 2.50 0.43 -2.23 0.00 0.00 178.31 179.69 3fkh n SER 59 N -4.00 4.58 -1.98 0.41 7.64 -0.56 -4.80 113.62 114.92 3fkh n SER 59 Ca -0.02 -3.00 -0.03 0.00 1.01 0.00 0.00 58.87 56.84 3fkh n SER 59 Cb 0.51 -1.55 0.06 0.00 -1.01 0.00 0.00 64.21 62.21 3fkh n SER 59 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3fkh n ASN 61 N 4.80 -1.04 -4.78 6.43 3.02 -1.26 -5.05 115.26 117.38 3fkh n ASN 61 Ca 0.45 -1.83 -0.36 0.00 -0.03 0.00 0.00 54.58 52.80 3fkh n ASN 61 Cb 0.37 0.45 -0.03 0.00 -0.61 0.00 0.00 39.78 39.96 3fkh n ASN 61 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3fkh s LEU 62 N -2.30 4.05 0.39 3.41 1.43 -1.26 -4.73 118.68 119.67 3fkh s LEU 62 Ca 0.05 2.10 -0.26 0.00 -1.03 0.00 0.00 54.13 55.00 3fkh s LEU 62 Cb 0.25 -4.26 -0.09 0.00 0.03 0.00 0.00 46.19 42.12 3fkh s LEU 62 CO -0.07 -0.68 1.18 0.21 0.23 0.00 0.00 176.35 177.22 3fkh s ASN 63 N -1.57 6.57 0.33 2.29 3.84 0.12 -4.94 114.94 121.59 3fkh s ASN 63 Ca 0.61 2.38 0.11 0.00 0.21 0.00 0.00 52.86 56.17 3fkh s ASN 63 Cb -0.23 -2.62 0.56 0.00 -0.55 0.00 0.00 41.25 38.41 3fkh s ASN 63 CO 0.29 -0.64 1.74 0.45 -2.79 0.00 0.00 177.10 176.14 3fkh h HIS 64 N 2.76 0.04 -3.01 0.43 3.86 -1.88 -3.42 115.15 113.93 3fkh h HIS 64 Ca -0.49 -0.01 -0.55 0.00 -1.16 0.00 0.00 60.37 58.16 3fkh h HIS 64 Cb 1.23 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 3fkh h HIS 64 CO 0.55 0.49 0.76 -0.51 0.86 0.00 0.00 177.93 180.08 3fkh s ASP 65 N -6.90 6.97 0.15 2.45 1.01 -1.26 -0.92 116.67 118.17 3fkh s ASP 65 Ca -0.03 1.93 0.03 0.00 0.71 0.00 0.00 52.55 55.19 3fkh s ASP 65 Cb 0.14 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 3fkh s ASP 65 CO 0.74 -0.65 -0.05 0.68 0.21 0.00 0.00 175.17 176.11 3fkh s VAL 66 N 2.35 0.91 -0.01 -1.27 -7.23 0.58 -4.66 120.40 111.08 3fkh s VAL 66 Ca 0.59 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.74 3fkh s VAL 66 Cb -0.27 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 3fkh s VAL 66 CO 0.23 -0.65 0.12 -0.76 -0.31 0.00 0.00 175.10 173.74 3fkh s LEU 67 N -3.16 4.09 -0.05 1.32 1.43 -0.74 -1.55 118.68 120.03 3fkh s LEU 67 Ca 0.19 0.23 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3fkh s LEU 67 Cb 0.05 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.87 3fkh s LEU 67 CO 0.01 0.27 -0.12 0.12 0.23 0.00 0.00 176.35 176.86 3fkh s PHE 68 N -1.24 1.31 0.03 0.29 2.19 0.42 -0.72 117.98 120.26 3fkh s PHE 68 Ca 0.24 -0.40 0.01 0.00 0.33 0.00 0.00 56.93 57.11 3fkh s PHE 68 Cb -0.12 -0.94 -0.02 0.00 -1.31 0.00 0.00 43.02 40.63 3fkh s PHE 68 CO 0.16 -0.18 -0.05 -2.00 1.83 0.00 0.00 175.22 174.97 3fkh s GLU 69 N 0.36 0.40 0.03 10.12 -6.30 0.02 -0.10 118.70 123.23 3fkh s GLU 69 Ca -0.08 -0.63 -0.14 0.00 -2.50 0.00 0.00 54.97 51.63 3fkh s GLU 69 Cb -0.12 -0.10 0.02 0.00 0.00 0.00 0.00 34.13 33.92 3fkh s GLU 69 CO 0.02 0.01 0.29 0.00 0.02 0.00 0.00 175.26 175.60 3fkh s ALA 70 N -1.29 -0.67 0.17 6.30 0.00 -0.92 -0.84 121.76 124.51 3fkh s ALA 70 Ca -0.12 0.05 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 3fkh s ALA 70 Cb -0.09 0.26 0.06 0.00 0.00 0.00 0.00 23.12 23.35 3fkh s ALA 70 CO -0.00 -0.37 0.75 0.16 0.00 0.00 0.00 175.76 176.30 3fkh s ASP 71 N -1.90 -0.36 -0.18 0.00 1.47 -1.26 -1.47 116.67 112.96 3fkh s ASP 71 Ca -0.07 -0.27 -0.27 0.00 1.18 0.00 0.00 52.55 53.11 3fkh s ASP 71 Cb -0.02 0.59 0.08 0.00 -0.34 0.00 0.00 42.92 43.22 3fkh s ASP 71 CO -0.02 -1.02 0.73 -0.70 0.68 0.00 0.00 175.17 174.84 3fkh s GLU 72 N -3.62 0.89 -0.61 2.11 2.12 -0.86 -5.01 118.70 113.72 3fkh s GLU 72 Ca 0.07 0.66 0.04 0.00 0.36 0.00 0.00 54.97 56.10 3fkh s GLU 72 Cb -0.03 0.43 0.16 0.00 0.26 0.00 0.00 34.13 34.96 3fkh s GLU 72 CO -0.03 -0.19 0.43 0.08 -0.54 0.00 0.00 175.26 175.01 3fkh s VAL 73 N -0.29 2.23 -0.14 3.70 1.01 -1.26 -1.40 120.40 124.25 3fkh s VAL 73 Ca -0.04 -3.75 0.02 0.00 0.00 0.00 0.00 61.98 58.21 3fkh s VAL 73 Cb -0.03 -2.48 0.01 0.00 0.00 0.00 0.00 36.38 33.88 3fkh s VAL 73 CO 0.04 -1.03 -0.21 -0.54 0.00 0.00 0.00 175.10 173.36 3fkh s LYS 74 N -0.92 3.06 -0.90 2.72 1.02 -0.52 -4.91 119.74 119.29 3fkh s LYS 74 Ca 0.25 -0.83 -0.07 0.00 0.02 0.00 0.00 55.97 55.34 3fkh s LYS 74 Cb -0.06 -2.47 0.00 0.00 -0.52 0.00 0.00 37.83 34.79 3fkh s LYS 74 CO -0.15 0.00 0.68 -0.25 -0.92 0.00 0.00 175.35 174.71 3fkh n ASP 75 N 4.04 -5.68 0.00 2.83 8.00 -1.26 -2.53 116.55 121.95 3fkh n ASP 75 Ca -0.20 -0.77 0.00 0.00 0.71 0.00 0.00 54.79 54.53 3fkh n ASP 75 Cb 0.52 -3.00 0.00 0.00 -0.02 0.00 0.00 41.12 38.62 3fkh n ASP 75 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3fkh n GLY 76 N -1.72 2.16 3.34 0.44 0.00 -1.26 -4.98 105.19 103.17 3fkh n GLY 76 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.53 3fkh n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3fkh s LYS 77 N 0.00 2.60 -0.02 1.61 0.00 -1.05 -0.48 119.74 122.40 3fkh s LYS 77 Ca 0.00 -0.83 0.07 0.00 0.00 0.00 0.00 55.97 55.21 3fkh s LYS 77 Cb 0.00 -2.27 -0.02 0.00 0.00 0.00 0.00 37.83 35.55 3fkh s LYS 77 CO 0.00 0.44 -0.23 0.00 0.00 0.00 0.00 175.35 175.56 3fkh s ALA 78 N -0.29 1.92 0.13 0.59 0.00 0.02 -1.43 121.76 122.69 3fkh s ALA 78 Ca 0.01 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 3fkh s ALA 78 Cb -0.13 -0.49 -0.00 0.00 0.00 0.00 0.00 23.12 22.49 3fkh s ALA 78 CO 0.03 0.47 0.24 1.67 0.00 0.00 0.00 175.76 178.16 3fkh s TRP 79 N -0.52 0.27 -0.08 0.00 1.48 -0.49 -0.04 118.94 119.56 3fkh s TRP 79 Ca 0.08 -0.67 -0.14 0.00 -1.06 0.00 0.00 56.10 54.32 3fkh s TRP 79 Cb -0.09 -0.05 0.03 0.00 -1.16 0.00 0.00 33.47 32.20 3fkh s TRP 79 CO -0.01 -0.64 0.34 -1.54 -4.06 0.00 0.00 176.95 171.05 3fkh s SER 80 N -2.92 -0.29 -0.13 -2.66 1.04 -0.36 -2.04 113.70 106.34 3fkh s SER 80 Ca 0.11 0.43 0.01 0.00 0.48 0.00 0.00 55.95 56.98 3fkh s SER 80 Cb 0.04 0.53 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3fkh s SER 80 CO -0.05 -0.28 -0.13 -0.69 0.98 0.00 0.00 173.24 173.06 3fkh s VAL 81 N -0.54 1.40 -0.13 5.02 1.01 -0.54 -1.16 120.40 125.46 3fkh s VAL 81 Ca -0.07 -0.55 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 3fkh s VAL 81 Cb -0.04 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 3fkh s VAL 81 CO 0.02 0.43 -0.05 -0.69 0.00 0.00 0.00 175.10 174.82 3fkh s VAL 82 N 1.36 3.84 -0.09 2.92 1.01 0.03 -2.16 120.40 127.31 3fkh s VAL 82 Ca 0.01 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.61 3fkh s VAL 82 Cb -0.13 -2.65 0.02 0.00 0.00 0.00 0.00 36.38 33.61 3fkh s VAL 82 CO -0.07 0.53 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 3fkh s VAL 83 N 0.00 1.20 -0.22 2.92 1.01 0.85 -0.87 120.40 125.29 3fkh s VAL 83 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.40 3fkh s VAL 83 Cb -0.13 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 3fkh s VAL 83 CO 0.03 0.38 0.21 -0.13 0.00 0.00 0.00 175.10 175.59 3fkh s ARG 84 N 1.07 4.12 0.23 2.72 0.52 -0.54 -0.44 118.95 126.62 3fkh s ARG 84 Ca -0.06 -0.15 -0.13 0.00 -0.52 0.00 0.00 55.73 54.87 3fkh s ARG 84 Cb -0.15 -3.52 -0.00 0.00 0.52 0.00 0.00 34.95 31.80 3fkh s ARG 84 CO -0.01 0.08 0.45 0.00 0.02 0.00 0.00 175.30 175.83 3fkh s ALA 85 N 1.00 -0.25 -0.21 2.13 0.00 -0.60 0.30 121.76 124.13 3fkh s ALA 85 Ca 0.10 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.17 3fkh s ALA 85 Cb -0.13 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.99 3fkh s ALA 85 CO 0.04 -0.82 0.02 0.99 0.00 0.00 0.00 175.76 176.00 3fkh s THR 86 N -4.00 4.13 -0.03 0.00 2.01 -0.76 -0.30 115.64 116.68 3fkh s THR 86 Ca 0.21 -0.25 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 3fkh s THR 86 Cb -0.00 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.58 3fkh s THR 86 CO 0.07 0.41 0.30 0.00 -0.69 0.00 0.00 174.62 174.71 3fkh s ALA 87 N 1.10 3.78 -0.03 7.40 0.00 -0.10 -0.92 121.76 133.00 3fkh s ALA 87 Ca 0.03 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 3fkh s ALA 87 Cb -0.14 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.78 3fkh s ALA 87 CO 0.02 0.56 0.10 -1.83 0.00 0.00 0.00 175.76 174.61 3fkh s GLU 88 N -1.25 0.23 0.12 0.00 -1.05 -0.50 -4.84 118.70 111.41 3fkh s GLU 88 Ca 0.23 -0.05 -0.30 0.00 -0.15 0.00 0.00 54.97 54.70 3fkh s GLU 88 Cb -0.14 0.10 -0.06 0.00 -0.44 0.00 0.00 34.13 33.58 3fkh s GLU 88 CO 0.11 -0.04 1.08 0.96 0.95 0.00 0.00 175.26 178.32 3fkh s ILE 89 N -0.42 4.15 -0.47 1.83 -5.25 -1.26 -0.87 121.20 118.90 3fkh s ILE 89 Ca -0.05 1.73 -0.29 0.00 -0.99 0.00 0.00 60.65 61.06 3fkh s ILE 89 Cb -0.03 -4.11 0.03 0.00 2.95 0.00 0.00 42.46 41.30 3fkh s ILE 89 CO 0.00 0.24 1.11 -0.69 -1.79 0.00 0.00 174.94 173.82 3fkh s VAL 90 N 0.20 4.24 -0.23 8.37 1.01 -0.43 -4.89 120.40 128.66 3fkh s VAL 90 Ca 0.51 1.18 0.02 0.00 0.00 0.00 0.00 61.98 63.68 3fkh s VAL 90 Cb -0.27 -4.59 -0.15 0.00 0.00 0.00 0.00 36.38 31.37 3fkh s VAL 90 CO 0.32 -0.99 -0.20 0.54 0.00 0.00 0.00 175.10 174.77 3fkh n ARG 91 N 7.76 0.58 -1.69 2.72 1.74 -1.26 -4.64 116.66 121.86 3fkh n ARG 91 Ca 0.11 0.13 -0.44 0.00 -0.77 0.00 0.00 57.85 56.89 3fkh n ARG 91 Cb 0.49 -1.46 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 3fkh n ARG 91 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3fkh n LYS 92 N -3.18 2.32 -0.18 5.56 4.76 -1.26 -4.90 118.16 121.29 3fkh n LYS 92 Ca -0.41 0.83 -0.07 0.00 -2.87 0.00 0.00 58.31 55.79 3fkh n LYS 92 Cb 0.93 -2.58 0.02 0.00 -1.84 0.00 0.00 35.03 31.56 3fkh n LYS 92 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3fkh h LEU 93 N 5.31 0.62 -1.29 -0.35 4.07 -1.99 -1.59 115.31 120.09 3fkh h LEU 93 Ca -0.45 -0.05 -0.07 0.00 0.08 0.00 0.00 57.88 57.39 3fkh h LEU 93 Cb 1.25 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 42.82 3fkh h LEU 93 CO 0.84 0.49 -0.26 -2.24 -1.08 0.00 0.00 178.44 176.20 3fkh h ASP 94 N 0.70 0.15 -0.20 -0.43 2.03 -1.99 -0.98 116.42 115.70 3fkh h ASP 94 Ca 0.19 -0.04 -0.09 0.00 -0.73 0.00 0.00 57.03 56.36 3fkh h ASP 94 Cb -0.02 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 38.44 3fkh h ASP 94 CO -0.04 0.42 -0.21 -0.33 -1.03 0.00 0.00 179.24 178.05 3fkh h GLU 95 N 0.14 0.50 -0.41 4.15 5.08 -1.85 -1.16 114.58 121.04 3fkh h GLU 95 Ca 0.02 -0.27 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3fkh h GLU 95 Cb 0.54 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3fkh h GLU 95 CO 0.04 0.84 0.24 0.82 -1.00 0.00 0.00 179.01 179.96 3fkh h ILE 96 N 0.18 1.13 -0.70 3.13 2.04 -1.14 0.28 117.51 122.42 3fkh h ILE 96 Ca 0.03 -0.31 0.07 0.00 1.00 0.00 0.00 64.86 65.65 3fkh h ILE 96 Cb 0.75 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.38 3fkh h ILE 96 CO 0.05 0.13 0.39 0.00 0.00 0.00 0.00 178.15 178.72 3fkh h ALA 97 N 1.11 0.95 -0.46 1.87 0.00 -1.19 -0.38 119.26 121.16 3fkh h ALA 97 Ca 0.15 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3fkh h ALA 97 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3fkh h ALA 97 CO -0.03 0.04 0.00 -0.92 0.00 0.00 0.00 179.25 178.35 3fkh h TYR 98 N 0.69 0.89 -0.37 0.00 3.20 -0.60 -2.98 116.97 117.80 3fkh h TYR 98 Ca 0.32 -0.15 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3fkh h TYR 98 Cb 0.24 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3fkh h TYR 98 CO -0.08 0.86 0.06 0.00 -1.64 0.00 0.00 178.16 177.36 3fkh h ALA 99 N 0.92 1.43 -0.03 1.82 0.00 -0.03 -2.44 119.26 120.93 3fkh h ALA 99 Ca 0.13 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3fkh h ALA 99 Cb 0.50 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3fkh h ALA 99 CO 0.02 0.41 0.02 -0.44 0.00 0.00 0.00 179.25 179.27 3fkh h ASP 100 N 0.53 0.00 1.19 0.00 3.32 -0.92 -1.84 116.42 118.70 3fkh h ASP 100 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3fkh h ASP 100 Cb 0.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3fkh h ASP 100 CO 0.00 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.23 3fkh h THR 101 N 0.00 0.00 -3.31 0.35 1.35 -1.41 -3.45 112.91 106.44 3fkh h THR 101 Ca 0.01 -0.57 -0.53 0.00 -0.55 0.00 0.00 66.41 64.77 3fkh h THR 101 Cb 0.06 1.55 -0.00 0.00 -1.73 0.00 0.00 68.15 68.02 3fkh h THR 101 CO -0.00 0.00 0.49 -0.76 -0.25 0.00 0.00 175.52 175.00 3fkh s LEU 102 N -5.99 4.39 -0.98 3.87 1.43 -0.69 -4.94 118.68 115.77 3fkh s LEU 102 Ca 0.03 1.92 -0.24 0.00 -1.03 0.00 0.00 54.13 54.81 3fkh s LEU 102 Cb 0.08 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 3fkh s LEU 102 CO 0.55 -0.37 1.83 -1.83 0.23 0.00 0.00 176.35 176.76 3fkh s GLU 103 N 0.85 2.83 -0.25 1.70 4.04 -1.26 -4.90 118.70 121.71 3fkh s GLU 103 Ca 0.55 -0.65 0.02 0.00 0.04 0.00 0.00 54.97 54.93 3fkh s GLU 103 Cb -0.27 -5.17 0.06 0.00 0.02 0.00 0.00 34.13 28.77 3fkh s GLU 103 CO 0.30 -3.16 -0.10 -1.17 -1.84 0.00 0.00 175.26 169.28 3fkh s LEU 104 N 8.88 3.14 -0.84 1.83 2.96 -1.26 -4.92 118.68 128.47 3fkh s LEU 104 Ca 0.64 -1.29 -0.04 0.00 -0.22 0.00 0.00 54.13 53.22 3fkh s LEU 104 Cb -0.04 -1.45 0.21 0.00 0.50 0.00 0.00 46.19 45.41 3fkh s LEU 104 CO -0.00 -0.19 0.72 -0.54 -1.32 0.00 0.00 176.35 175.02 3fkh s LYS 105 N 1.19 3.22 0.81 1.98 -0.14 -1.26 -5.01 119.74 120.53 3fkh s LYS 105 Ca -0.07 -2.97 -0.11 0.00 -1.36 0.00 0.00 55.97 51.46 3fkh s LYS 105 Cb -0.19 -4.02 0.08 0.00 -1.68 0.00 0.00 37.83 32.02 3fkh s LYS 105 CO -0.06 -1.24 1.11 -1.25 -0.76 0.00 0.00 175.35 173.15 3fkh s PRO 106 N -0.81 1.87 0.26 -1.68 0.04 -1.26 -4.79 135.00 128.63 3fkh s PRO 106 Ca 0.24 1.31 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 3fkh s PRO 106 Cb -0.11 -1.84 0.35 0.00 0.04 0.00 0.00 34.50 32.94 3fkh s PRO 106 CO -0.09 -1.96 1.75 -1.49 0.04 0.00 0.00 177.00 175.25 3fkh h TRP 107 N -1.32 0.78 -2.81 0.56 6.55 -1.98 -3.35 115.95 114.38 3fkh h TRP 107 Ca -0.44 -0.12 -0.60 0.00 0.95 0.00 0.00 58.89 58.68 3fkh h TRP 107 Cb 1.24 -0.21 -0.40 0.00 -0.86 0.00 0.00 29.16 28.94 3fkh h TRP 107 CO 0.55 0.76 -0.78 0.42 -1.05 0.00 0.00 178.44 178.34 3fkh s ILE 108 N -4.89 1.21 0.36 1.49 1.01 -1.26 -5.12 121.20 114.01 3fkh s ILE 108 Ca -0.09 -2.71 -0.28 0.00 0.00 0.00 0.00 60.65 57.58 3fkh s ILE 108 Cb 0.14 -1.84 -0.10 0.00 0.01 0.00 0.00 42.46 40.68 3fkh s ILE 108 CO 0.81 -1.00 1.30 -2.16 0.00 0.00 0.00 174.94 173.89 3fkh s PRO 109 N 0.13 4.21 0.29 2.79 0.04 -1.26 -4.91 135.00 136.29 3fkh s PRO 109 Ca 0.22 2.18 0.10 0.00 0.04 0.00 0.00 61.00 63.54 3fkh s PRO 109 Cb -0.15 -2.95 -0.05 0.00 0.04 0.00 0.00 34.50 31.39 3fkh s PRO 109 CO -0.06 -0.30 -0.06 0.95 0.04 0.00 0.00 177.00 177.57 3fkh s THR 110 N -1.19 2.98 0.03 1.26 -4.23 -1.26 -5.07 115.64 108.16 3fkh s THR 110 Ca 0.52 -2.08 -0.25 0.00 -1.18 0.00 0.00 61.69 58.70 3fkh s THR 110 Cb -0.39 -2.67 -0.18 0.00 1.34 0.00 0.00 72.50 70.61 3fkh s THR 110 CO 0.51 -0.35 1.46 0.25 -0.54 0.00 0.00 174.62 175.95 3fkh h LEU 111 N 1.99 -0.10 -9.08 4.79 5.85 -1.99 -3.40 115.31 113.36 3fkh h LEU 111 Ca -0.43 -0.22 -0.61 0.00 0.84 0.00 0.00 57.88 57.47 3fkh h LEU 111 Cb 1.25 0.03 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 3fkh h LEU 111 CO 0.62 0.16 -0.14 -0.54 -0.34 0.00 0.00 178.44 178.20 3fkh s LYS 112 N -5.15 4.14 0.17 1.25 3.01 -1.26 -5.07 119.74 116.83 3fkh s LYS 112 Ca -0.15 0.25 -0.11 0.00 -1.01 0.00 0.00 55.97 54.96 3fkh s LYS 112 Cb 0.03 -3.58 -0.00 0.00 -1.01 0.00 0.00 37.83 33.28 3fkh s LYS 112 CO 0.64 -0.15 0.34 1.52 0.51 0.00 0.00 175.35 178.21 3fkh s TYR 113 N 1.65 0.28 0.09 3.18 1.13 -1.26 -4.67 117.35 117.75 3fkh s TYR 113 Ca 0.20 -0.64 0.02 0.00 -1.41 0.00 0.00 57.07 55.24 3fkh s TYR 113 Cb -0.15 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.71 3fkh s TYR 113 CO 0.09 -0.76 -0.07 -0.80 -2.51 0.00 0.00 175.55 171.49 3fkh s ASN 114 N -2.95 1.19 -0.03 -0.18 -0.87 -0.08 -5.00 114.94 107.02 3fkh s ASN 114 Ca 0.15 -0.92 -0.01 0.00 -1.57 0.00 0.00 52.86 50.51 3fkh s ASN 114 Cb 0.02 0.07 -0.04 0.00 -0.02 0.00 0.00 41.25 41.28 3fkh s ASN 114 CO -0.01 -0.39 0.07 -0.31 -2.57 0.00 0.00 177.10 173.89 3fkh s TYR 115 N -3.14 3.30 -0.18 2.20 2.02 -1.26 -0.70 117.35 119.59 3fkh s TYR 115 Ca 0.08 0.24 -0.02 0.00 -0.37 0.00 0.00 57.07 57.00 3fkh s TYR 115 Cb 0.02 -1.77 -0.01 0.00 -0.40 0.00 0.00 41.96 39.81 3fkh s TYR 115 CO -0.03 0.56 -0.10 0.08 -1.57 0.00 0.00 175.55 174.49 3fkh s VAL 116 N -1.13 3.09 -0.37 0.71 1.01 0.07 -1.32 120.40 122.47 3fkh s VAL 116 Ca 0.21 -0.61 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 3fkh s VAL 116 Cb -0.12 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 3fkh s VAL 116 CO 0.11 0.48 0.29 -0.60 0.00 0.00 0.00 175.10 175.38 3fkh s ARG 117 N 0.97 3.32 -0.35 2.72 3.52 -0.05 -2.02 118.95 127.05 3fkh s ARG 117 Ca -0.01 -0.74 -0.12 0.00 -0.13 0.00 0.00 55.73 54.73 3fkh s ARG 117 Cb -0.15 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.37 3fkh s ARG 117 CO -0.01 -0.58 0.22 0.42 -0.81 0.00 0.00 175.30 174.55 3fkh s ILE 118 N 1.77 4.98 -0.39 4.11 1.01 0.72 -1.41 121.20 131.99 3fkh s ILE 118 Ca 0.07 -0.47 -0.12 0.00 0.00 0.00 0.00 60.65 60.13 3fkh s ILE 118 Cb -0.18 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.69 3fkh s ILE 118 CO 0.11 -0.09 0.24 -0.69 0.00 0.00 0.00 174.94 174.50 3fkh s VAL 119 N 1.66 4.70 0.18 2.92 1.01 -0.09 -0.41 120.40 130.36 3fkh s VAL 119 Ca 0.05 -0.89 -0.32 0.00 0.00 0.00 0.00 61.98 60.82 3fkh s VAL 119 Cb -0.18 -3.66 -0.12 0.00 0.00 0.00 0.00 36.38 32.42 3fkh s VAL 119 CO 0.09 -0.30 1.75 -2.65 0.00 0.00 0.00 175.10 173.99 3fkh n PRO 120 N 5.03 2.74 -0.11 2.72 -0.02 -1.26 -1.84 135.00 142.26 3fkh n PRO 120 Ca -0.11 0.99 -0.25 0.00 -2.02 0.00 0.00 63.50 62.11 3fkh n PRO 120 Cb 0.46 -2.85 -0.11 0.00 -0.02 0.00 0.00 33.50 30.98 3fkh n PRO 120 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3fkh n ASN 121 N 4.42 1.93 -4.10 2.55 3.02 0.15 -4.95 115.26 118.28 3fkh n ASN 121 Ca 0.17 0.33 -0.16 0.00 -0.03 0.00 0.00 54.58 54.89 3fkh n ASN 121 Cb 0.35 -0.86 -0.12 0.00 -0.61 0.00 0.00 39.78 38.53 3fkh n ASN 121 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3fkh s GLU 122 N -2.45 0.69 -0.08 3.52 2.12 -0.87 -5.01 118.70 116.63 3fkh s GLU 122 Ca -0.33 -0.74 -0.00 0.00 0.36 0.00 0.00 54.97 54.26 3fkh s GLU 122 Cb 0.10 -0.61 0.03 0.00 0.26 0.00 0.00 34.13 33.90 3fkh s GLU 122 CO 0.57 0.14 -0.04 0.42 -0.54 0.00 0.00 175.26 175.81 3fkh s ILE 123 N -1.07 0.65 -0.25 -3.70 1.01 -1.26 -1.47 121.20 115.11 3fkh s ILE 123 Ca -0.04 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.56 3fkh s ILE 123 Cb -0.08 -0.73 0.06 0.00 0.01 0.00 0.00 42.46 41.72 3fkh s ILE 123 CO 0.01 0.29 -0.09 -0.89 0.00 0.00 0.00 174.94 174.26 3fkh s THR 124 N 1.65 1.95 -0.08 2.92 2.01 -0.05 -4.84 115.64 119.21 3fkh s THR 124 Ca 0.01 -1.47 0.02 0.00 0.31 0.00 0.00 61.69 60.56 3fkh s THR 124 Cb -0.13 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 3fkh s THR 124 CO -0.05 -0.03 -0.13 -0.83 -0.69 0.00 0.00 174.62 172.88 3fkh s GLY 125 N 1.20 1.55 -0.01 4.40 0.00 -1.26 -0.79 107.32 112.41 3fkh s GLY 125 Ca -0.07 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 43.72 3fkh s GLY 125 CO -0.06 -0.58 -0.06 0.50 0.00 0.00 0.00 173.10 172.91 3fkh s ARG 126 N -0.39 0.51 0.01 2.90 1.81 -0.31 -1.21 118.95 122.27 3fkh s ARG 126 Ca 0.04 -0.20 0.03 0.00 -1.72 0.00 0.00 55.73 53.89 3fkh s ARG 126 Cb -0.12 -0.50 -0.01 0.00 -0.45 0.00 0.00 34.95 33.87 3fkh s ARG 126 CO 0.02 0.11 -0.11 -2.00 -0.68 0.00 0.00 175.30 172.65 3fkh s GLU 127 N -0.05 0.78 0.01 3.54 2.12 -0.40 -1.23 118.70 123.47 3fkh s GLU 127 Ca 0.01 -0.52 0.03 0.00 0.36 0.00 0.00 54.97 54.85 3fkh s GLU 127 Cb -0.03 -0.74 -0.01 0.00 0.26 0.00 0.00 34.13 33.61 3fkh s GLU 127 CO -0.00 0.19 -0.10 -0.06 -0.54 0.00 0.00 175.26 174.75 3fkh s PHE 128 N -0.57 0.85 -0.30 5.30 0.40 0.94 -0.58 117.98 124.01 3fkh s PHE 128 Ca 0.01 -0.26 -0.09 0.00 -0.60 0.00 0.00 56.93 55.99 3fkh s PHE 128 Cb -0.06 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.93 3fkh s PHE 128 CO 0.00 -0.01 0.15 0.99 0.70 0.00 0.00 175.22 177.05 3fkh s THR 129 N -0.57 4.63 -2.00 0.64 2.01 -1.25 -0.80 115.64 118.30 3fkh s THR 129 Ca 0.00 -0.34 0.27 0.00 0.31 0.00 0.00 61.69 61.94 3fkh s THR 129 Cb -0.06 -3.32 0.78 0.00 0.01 0.00 0.00 72.50 69.91 3fkh s THR 129 CO 0.00 0.12 1.98 0.18 -0.69 0.00 0.00 174.62 176.21