#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fkh s ASP 2 N 0.00 5.35 0.64 1.61 1.01 -1.26 -5.28 116.67 118.75 3fkh s ASP 2 Ca 0.00 -0.08 -0.14 0.00 0.71 0.00 0.00 52.55 53.05 3fkh s ASP 2 Cb 0.00 -1.38 -0.01 0.00 1.01 0.00 0.00 42.92 42.54 3fkh s ASP 2 CO 0.00 0.17 1.07 0.54 0.21 0.00 0.00 175.17 177.16 3fkh s ASN 3 N -2.40 5.48 0.44 0.27 4.22 -1.26 -4.94 114.94 116.74 3fkh s ASN 3 Ca 0.28 1.79 0.31 0.00 -2.14 0.00 0.00 52.86 53.10 3fkh s ASN 3 Cb -0.12 -2.52 1.46 0.00 1.28 0.00 0.00 41.25 41.34 3fkh s ASN 3 CO 0.21 -1.38 1.92 1.55 -2.04 0.00 0.00 177.10 177.36 3fkh h PRO 4 N -0.06 0.00 -5.47 3.55 0.13 -1.95 -3.41 132.00 124.79 3fkh h PRO 4 Ca -0.46 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.08 3fkh h PRO 4 Cb 1.22 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 3fkh h PRO 4 CO 0.56 0.00 -0.24 0.08 -0.23 0.00 0.00 178.00 178.17 3fkh s VAL 5 N -3.65 5.24 -0.19 1.56 1.01 -1.26 -1.48 120.40 121.62 3fkh s VAL 5 Ca -0.00 0.67 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 3fkh s VAL 5 Cb 0.09 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.78 3fkh s VAL 5 CO 0.39 0.31 -0.15 0.21 0.00 0.00 0.00 175.10 175.85 3fkh s ASN 6 N 0.81 3.47 -0.10 3.32 2.47 0.04 -4.98 114.94 119.96 3fkh s ASN 6 Ca 0.19 -0.57 -0.30 0.00 0.42 0.00 0.00 52.86 52.60 3fkh s ASN 6 Cb -0.14 -1.55 -0.02 0.00 -1.45 0.00 0.00 41.25 38.08 3fkh s ASN 6 CO 0.07 -0.00 1.19 -0.63 -3.72 0.00 0.00 177.10 174.00 3fkh s ILE 7 N 1.33 4.35 0.14 -5.21 1.01 -1.26 -1.12 121.20 120.44 3fkh s ILE 7 Ca 0.05 1.65 -0.15 0.00 0.00 0.00 0.00 60.65 62.20 3fkh s ILE 7 Cb -0.13 -4.06 -0.07 0.00 0.01 0.00 0.00 42.46 38.20 3fkh s ILE 7 CO -0.10 -0.05 0.56 -0.76 0.00 0.00 0.00 174.94 174.59 3fkh s LEU 8 N 2.63 4.36 0.79 2.97 1.43 0.10 -4.97 118.68 125.99 3fkh s LEU 8 Ca 0.54 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.66 3fkh s LEU 8 Cb -0.22 -3.24 0.09 0.00 0.03 0.00 0.00 46.19 42.84 3fkh s LEU 8 CO 0.18 0.12 1.14 0.54 0.23 0.00 0.00 176.35 178.57 3fkh s ASN 9 N -1.62 4.47 0.23 2.29 2.20 -1.26 -4.23 114.94 117.02 3fkh s ASN 9 Ca 0.37 0.63 -0.06 0.00 -0.94 0.00 0.00 52.86 52.87 3fkh s ASN 9 Cb -0.16 -1.13 0.40 0.00 -2.00 0.00 0.00 41.25 38.36 3fkh s ASN 9 CO 0.19 -1.89 1.75 -0.33 -2.94 0.00 0.00 177.10 173.88 3fkh h GLU 10 N -0.97 0.50 -0.54 3.55 5.08 -1.99 0.23 114.58 120.44 3fkh h GLU 10 Ca -0.45 -0.03 -0.06 0.00 -1.00 0.00 0.00 59.36 57.82 3fkh h GLU 10 Cb 1.32 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.43 3fkh h GLU 10 CO 0.62 0.33 0.10 1.96 -1.00 0.00 0.00 179.01 181.02 3fkh h GLN 11 N 0.52 0.89 -0.31 2.33 1.08 -1.98 -0.48 115.11 117.15 3fkh h GLN 11 Ca 0.38 -0.23 -0.07 0.00 -1.45 0.00 0.00 58.65 57.28 3fkh h GLN 11 Cb 0.50 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.81 3fkh h GLN 11 CO -0.34 0.86 -0.06 0.93 -0.95 0.00 0.00 178.83 179.27 3fkh h GLU 12 N 0.78 0.60 -0.62 1.46 5.08 -1.77 -0.01 114.58 120.11 3fkh h GLU 12 Ca 0.17 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3fkh h GLU 12 Cb 0.39 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 3fkh h GLU 12 CO 0.01 0.77 0.40 0.00 -1.00 0.00 0.00 179.01 179.19 3fkh h ALA 13 N 0.80 0.78 -0.51 3.43 0.00 -0.93 -1.47 119.26 121.36 3fkh h ALA 13 Ca 0.08 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 3fkh h ALA 13 Cb 0.54 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3fkh h ALA 13 CO 0.03 0.22 0.05 1.25 0.00 0.00 0.00 179.25 180.80 3fkh h LEU 14 N 0.83 0.84 -1.53 0.00 5.85 -0.97 -2.39 115.31 117.93 3fkh h LEU 14 Ca 0.22 -0.28 0.01 0.00 0.84 0.00 0.00 57.88 58.67 3fkh h LEU 14 Cb -0.08 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 3fkh h LEU 14 CO -0.05 0.91 0.32 -0.33 -0.34 0.00 0.00 178.44 178.95 3fkh h GLU 15 N 0.73 0.62 -0.25 1.25 5.08 -0.83 -2.67 114.58 118.51 3fkh h GLU 15 Ca 0.15 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.36 3fkh h GLU 15 Cb 0.45 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3fkh h GLU 15 CO 0.02 0.41 -0.30 -0.09 -1.00 0.00 0.00 179.01 178.05 3fkh h ARG 16 N 0.64 0.52 0.00 2.33 9.65 -0.80 -2.66 114.38 124.06 3fkh h ARG 16 Ca 0.18 -0.22 -0.05 0.00 -1.10 0.00 0.00 59.98 58.79 3fkh h ARG 16 Cb -0.05 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 3fkh h ARG 16 CO -0.04 0.76 -0.25 -0.07 2.80 0.00 0.00 179.97 183.17 3fkh h LEU 17 N 0.45 0.00 -1.68 3.80 3.38 -1.09 -2.68 115.31 117.50 3fkh h LEU 17 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3fkh h LEU 17 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 3fkh h LEU 17 CO 0.06 0.25 -0.03 1.56 0.09 0.00 0.00 178.44 180.37 3fkh h GLN 18 N 0.00 0.00 -0.00 1.13 4.20 -1.40 -3.12 115.11 115.91 3fkh h GLN 18 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3fkh h GLN 18 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3fkh h GLN 18 CO 0.03 0.03 -0.13 -1.13 -0.67 0.00 0.00 178.83 176.97 3fkh n SER 19 N -3.15 0.56 -4.21 1.46 3.41 -1.01 -4.83 113.62 105.85 3fkh n SER 19 Ca -0.00 -0.64 -0.17 0.00 -0.26 0.00 0.00 58.87 57.80 3fkh n SER 19 Cb 0.28 -0.04 -0.11 0.00 -0.26 0.00 0.00 64.21 64.07 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 -2.47 1.17 -0.18 -3.33 -7.23 -1.18 -5.05 120.40 102.13 3fkh s VAL 20 Ca 0.29 -1.61 0.15 0.00 -1.81 0.00 0.00 61.98 58.99 3fkh s VAL 20 Cb 0.20 -1.38 -0.21 0.00 0.56 0.00 0.00 36.38 35.54 3fkh s VAL 20 CO 0.48 -0.42 0.40 -1.54 -0.31 0.00 0.00 175.10 173.70 3fkh n SER 21 N 0.69 1.37 -4.57 4.85 3.41 -1.26 -4.93 113.62 113.18 3fkh n SER 21 Ca -0.17 -0.20 -0.36 0.00 -0.26 0.00 0.00 58.87 57.88 3fkh n SER 21 Cb 0.57 1.52 -0.11 0.00 -0.26 0.00 0.00 64.21 65.92 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 -3.71 3.79 0.00 1.04 2.96 -1.26 -1.31 118.68 120.20 3fkh s LEU 22 Ca -0.03 -0.02 0.00 0.00 -0.22 0.00 0.00 54.13 53.87 3fkh s LEU 22 Cb 0.10 -2.01 -0.00 0.00 0.50 0.00 0.00 46.19 44.78 3fkh s LEU 22 CO 0.61 0.05 0.01 0.61 -1.32 0.00 0.00 176.35 176.31 3fkh n GLY 23 N 4.39 4.01 2.89 7.98 0.00 -0.03 -4.73 105.19 119.69 3fkh n GLY 23 Ca -0.16 -1.77 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.07 0.02 -0.16 1.61 0.52 0.89 -0.09 118.95 119.68 3fkh s ARG 24 Ca 0.02 0.01 -0.01 0.00 -0.52 0.00 0.00 55.73 55.22 3fkh s ARG 24 Cb 0.00 0.01 -0.01 0.00 0.52 0.00 0.00 34.95 35.47 3fkh s ARG 24 CO 0.01 -0.00 -0.10 0.08 0.02 0.00 0.00 175.30 175.31 3fkh s VAL 25 N -0.02 3.20 -0.22 3.52 1.01 -0.37 -0.19 120.40 127.32 3fkh s VAL 25 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.30 3fkh s VAL 25 Cb -0.00 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 3fkh s VAL 25 CO 0.00 0.50 0.11 -0.69 0.00 0.00 0.00 175.10 175.02 3fkh s VAL 26 N 0.67 5.01 0.27 2.92 1.01 0.92 -1.12 120.40 130.08 3fkh s VAL 26 Ca -0.05 0.06 0.10 0.00 0.00 0.00 0.00 61.98 62.09 3fkh s VAL 26 Cb -0.15 -3.31 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 3fkh s VAL 26 CO 0.02 0.38 -0.07 0.68 0.00 0.00 0.00 175.10 176.12 3fkh s VAL 27 N 0.90 3.10 -0.06 2.92 -7.23 -0.10 -2.15 120.40 117.78 3fkh s VAL 27 Ca 0.06 -2.08 -0.03 0.00 -1.81 0.00 0.00 61.98 58.11 3fkh s VAL 27 Cb -0.13 -2.66 0.03 0.00 0.56 0.00 0.00 36.38 34.18 3fkh s VAL 27 CO 0.03 -0.38 0.14 -0.60 -0.31 0.00 0.00 175.10 173.98 3fkh s ARG 28 N -3.62 0.10 -0.29 4.82 3.52 -1.26 -2.44 118.95 119.78 3fkh s ARG 28 Ca 0.31 0.33 -0.02 0.00 -0.13 0.00 0.00 55.73 56.22 3fkh s ARG 28 Cb -0.06 -0.13 0.09 0.00 -1.56 0.00 0.00 34.95 33.30 3fkh s ARG 28 CO 0.18 -0.14 0.09 0.50 -0.81 0.00 0.00 175.30 175.13 3fkh s ARG 29 N 0.95 0.64 5.84 5.12 3.52 -0.25 0.40 118.95 135.17 3fkh s ARG 29 Ca -0.07 -0.90 0.00 0.00 -0.13 0.00 0.00 55.73 54.62 3fkh s ARG 29 Cb -0.09 -1.89 0.00 0.00 -1.56 0.00 0.00 34.95 31.40 3fkh s ARG 29 CO -0.05 -0.94 0.00 0.43 -0.81 0.00 0.00 175.30 173.94 3fkh n SER 30 N 4.93 0.00 -1.66 -2.12 7.64 -1.26 -0.87 113.62 120.28 3fkh n SER 30 Ca -0.04 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.93 3fkh n SER 30 Cb 0.43 0.00 0.37 0.00 -1.01 0.00 0.00 64.21 64.00 3fkh n SER 30 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3fkh n ASP 31 N 8.96 4.94 -4.91 6.43 8.00 -1.26 -5.13 116.55 133.59 3fkh n ASP 31 Ca 0.00 -2.51 -0.23 0.00 0.71 0.00 0.00 54.79 52.76 3fkh n ASP 31 Cb 0.00 -0.60 -0.01 0.00 -0.02 0.00 0.00 41.12 40.49 3fkh n ASP 31 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3fkh s GLU 32 N -1.96 2.37 -0.17 -1.24 2.02 -0.05 -5.19 118.70 114.48 3fkh s GLU 32 Ca 0.52 -1.77 -0.35 0.00 0.02 0.00 0.00 54.97 53.40 3fkh s GLU 32 Cb 0.34 -2.29 0.15 0.00 0.10 0.00 0.00 34.13 32.43 3fkh s GLU 32 CO 0.24 -0.48 1.36 0.34 0.02 0.00 0.00 175.26 176.75 3fkh s ASP 34 N -4.27 -0.03 -0.06 -0.19 2.15 -1.02 -1.09 116.67 112.16 3fkh s ASP 34 Ca 0.44 -0.02 0.01 0.00 0.43 0.00 0.00 52.55 53.41 3fkh s ASP 34 Cb -0.03 0.05 0.02 0.00 -0.30 0.00 0.00 42.92 42.66 3fkh s ASP 34 CO 0.27 -0.09 -0.07 -0.51 -0.17 0.00 0.00 175.17 174.60 3fkh s ILE 35 N -2.15 0.72 -0.15 4.11 2.07 -1.26 -0.92 121.20 123.62 3fkh s ILE 35 Ca 0.13 -0.22 0.02 0.00 -1.41 0.00 0.00 60.65 59.17 3fkh s ILE 35 Cb 0.03 -0.72 0.01 0.00 0.13 0.00 0.00 42.46 41.91 3fkh s ILE 35 CO -0.04 0.27 -0.21 -0.36 -1.91 0.00 0.00 174.94 172.69 3fkh s PHE 36 N 0.94 2.70 0.43 3.50 0.08 -0.28 -4.97 117.98 120.38 3fkh s PHE 36 Ca -0.10 -1.37 -0.24 0.00 0.12 0.00 0.00 56.93 55.33 3fkh s PHE 36 Cb -0.15 -1.84 -0.08 0.00 -0.57 0.00 0.00 43.02 40.39 3fkh s PHE 36 CO 0.00 -0.64 1.20 -1.25 -0.10 0.00 0.00 175.22 174.44 3fkh s PRO 37 N 0.89 3.86 0.02 0.24 0.04 -1.26 -1.24 135.00 137.55 3fkh s PRO 37 Ca -0.05 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.88 3fkh s PRO 37 Cb -0.15 -2.56 -0.02 0.00 0.04 0.00 0.00 34.50 31.82 3fkh s PRO 37 CO -0.04 -0.50 -0.01 0.14 0.04 0.00 0.00 177.00 176.63 3fkh s VAL 38 N -1.43 0.09 0.02 -0.36 -7.23 0.86 -4.90 120.40 107.46 3fkh s VAL 38 Ca 0.61 -0.78 -0.26 0.00 -1.81 0.00 0.00 61.98 59.74 3fkh s VAL 38 Cb -0.32 -0.24 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 3fkh s VAL 38 CO 0.40 -0.43 0.82 0.20 -0.31 0.00 0.00 175.10 175.78 3fkh s ASN 39 N -1.27 7.24 0.20 4.85 0.01 -1.26 -0.85 114.94 123.86 3fkh s ASN 39 Ca -0.14 1.49 -0.01 0.00 -0.71 0.00 0.00 52.86 53.49 3fkh s ASN 39 Cb -0.09 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 3fkh s ASN 39 CO -0.01 -0.08 0.13 0.72 -1.51 0.00 0.00 177.10 176.36 3fkh s PHE 40 N 0.33 1.13 -0.06 2.20 -0.71 -0.42 -4.34 117.98 116.11 3fkh s PHE 40 Ca 0.42 -1.36 -0.05 0.00 -1.04 0.00 0.00 56.93 54.90 3fkh s PHE 40 Cb -0.20 -0.54 0.02 0.00 -1.21 0.00 0.00 43.02 41.08 3fkh s PHE 40 CO 0.24 -0.64 0.16 -1.50 -1.34 0.00 0.00 175.22 172.14 3fkh s ILE 41 N -4.15 -0.01 -0.03 -4.49 1.10 -0.79 -4.71 121.20 108.11 3fkh s ILE 41 Ca 0.38 0.05 -0.13 0.00 -0.51 0.00 0.00 60.65 60.44 3fkh s ILE 41 Cb 0.07 -0.24 -0.05 0.00 0.15 0.00 0.00 42.46 42.39 3fkh s ILE 41 CO 0.11 0.02 0.35 -0.69 -2.11 0.00 0.00 174.94 172.62 3fkh s VAL 42 N 0.39 5.14 -0.26 4.00 1.01 -1.26 -0.68 120.40 128.74 3fkh s VAL 42 Ca -0.03 0.70 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 3fkh s VAL 42 Cb -0.04 -3.65 0.13 0.00 0.00 0.00 0.00 36.38 32.82 3fkh s VAL 42 CO -0.02 0.58 0.53 -0.62 0.00 0.00 0.00 175.10 175.57 3fkh s ASP 43 N -0.98 -0.71 -1.43 3.32 2.15 0.11 -4.96 116.67 114.17 3fkh s ASP 43 Ca 0.22 1.08 -0.08 0.00 0.43 0.00 0.00 52.55 54.20 3fkh s ASP 43 Cb -0.16 1.81 0.05 0.00 -0.30 0.00 0.00 42.92 44.32 3fkh s ASP 43 CO 0.11 -0.24 0.88 0.29 -0.17 0.00 0.00 175.17 176.04 3fkh n LYS 44 N 5.42 -5.47 -0.21 4.34 5.02 -1.26 -2.21 118.16 123.79 3fkh n LYS 44 Ca -0.08 0.63 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 3fkh n LYS 44 Cb 0.50 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 30.11 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 -1.66 2.35 3.69 0.72 0.00 -1.26 -5.03 105.19 104.00 3fkh n GLY 45 Ca -0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.13 3.28 -0.13 4.61 0.00 -0.94 -4.39 121.76 121.06 3fkh s ALA 46 Ca 0.00 -1.40 -0.05 0.00 0.00 0.00 0.00 51.96 50.52 3fkh s ALA 46 Cb 0.00 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.05 3fkh s ALA 46 CO 0.00 0.43 0.03 0.42 0.00 0.00 0.00 175.76 176.64 3fkh s ILE 47 N -1.86 4.54 -0.07 0.00 1.01 -0.13 -0.71 121.20 123.98 3fkh s ILE 47 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.85 3fkh s ILE 47 Cb -0.09 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 3fkh s ILE 47 CO 0.20 0.54 -0.24 -0.31 0.00 0.00 0.00 174.94 175.13 3fkh s TYR 48 N -0.29 2.48 -0.04 3.97 1.51 0.14 -0.18 117.35 124.94 3fkh s TYR 48 Ca 0.07 -0.80 0.03 0.00 -1.01 0.00 0.00 57.07 55.37 3fkh s TYR 48 Cb -0.12 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.10 3fkh s TYR 48 CO 0.02 -0.26 -0.12 0.42 -1.11 0.00 0.00 175.55 174.50 3fkh s ILE 49 N -0.03 1.01 -0.33 2.71 1.01 -0.74 -1.89 121.20 122.93 3fkh s ILE 49 Ca -0.07 -0.47 -0.13 0.00 0.00 0.00 0.00 60.65 59.98 3fkh s ILE 49 Cb -0.15 -0.89 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 3fkh s ILE 49 CO 0.05 0.31 0.23 -0.60 0.00 0.00 0.00 174.94 174.93 3fkh s ARG 50 N 0.25 3.52 -0.02 2.79 3.52 -1.26 -1.15 118.95 126.60 3fkh s ARG 50 Ca -0.05 -0.62 0.08 0.00 -0.13 0.00 0.00 55.73 55.00 3fkh s ARG 50 Cb -0.11 -3.78 -0.02 0.00 -1.56 0.00 0.00 34.95 29.48 3fkh s ARG 50 CO 0.01 -0.42 -0.25 -0.08 -0.81 0.00 0.00 175.30 173.75 3fkh s THR 51 N 1.72 2.17 -0.15 4.11 -1.32 0.61 -4.96 115.64 117.82 3fkh s THR 51 Ca 0.06 -1.10 0.17 0.00 -1.21 0.00 0.00 61.69 59.61 3fkh s THR 51 Cb -0.17 -1.77 -0.04 0.00 -1.51 0.00 0.00 72.50 69.00 3fkh s THR 51 CO 0.10 0.56 1.07 0.00 -2.21 0.00 0.00 174.62 174.14 3fkh h ALA 52 N 5.40 0.65 -0.32 11.08 0.00 -1.84 0.69 119.26 134.91 3fkh h ALA 52 Ca -0.44 -0.60 -0.18 0.00 0.00 0.00 0.00 54.91 53.69 3fkh h ALA 52 Cb 1.13 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 18.94 3fkh h ALA 52 CO 0.47 0.69 0.23 0.39 0.00 0.00 0.00 179.25 181.03 3fkh n GLU 53 N -2.97 1.44 -0.22 0.00 -0.58 -1.26 -4.66 120.64 112.37 3fkh n GLU 53 Ca -0.04 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.72 3fkh n GLU 53 Cb 0.76 -1.38 0.12 0.00 -0.57 0.00 0.00 31.44 30.37 3fkh n GLU 53 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3fkh h GLY 54 N 2.95 0.96 0.78 0.62 0.00 -1.93 0.36 103.07 106.80 3fkh h GLY 54 Ca 0.20 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3fkh h GLY 54 CO 0.40 0.04 -0.11 3.43 0.00 0.00 0.00 176.54 180.29 3fkh h ASN 55 N 0.53 0.41 -0.21 0.19 2.35 -1.96 -1.35 115.58 115.54 3fkh h ASN 55 Ca 0.32 -0.44 0.03 0.00 -0.55 0.00 0.00 56.30 55.67 3fkh h ASN 55 Cb 0.34 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3fkh h ASN 55 CO -0.27 0.76 0.01 0.50 -1.65 0.00 0.00 177.43 176.78 3fkh h LYS 56 N 0.06 0.08 -0.10 0.81 3.64 -1.84 0.83 116.57 120.05 3fkh h LYS 56 Ca 0.04 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 3fkh h LYS 56 Cb 0.62 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3fkh h LYS 56 CO 0.03 0.05 0.06 -0.07 -2.27 0.00 0.00 179.45 177.25 3fkh h LEU 57 N 0.08 0.13 -1.16 5.20 -0.00 -0.95 -3.01 115.31 115.60 3fkh h LEU 57 Ca 0.10 -0.08 -0.08 0.00 -0.00 0.00 0.00 57.88 57.82 3fkh h LEU 57 Cb 0.12 -0.03 -0.01 0.00 -0.00 0.00 0.00 40.66 40.73 3fkh h LEU 57 CO -0.16 0.17 -0.27 0.15 -0.00 0.00 0.00 178.44 178.33 3fkh h PHE 58 N 0.08 0.26 -2.96 1.13 3.57 -1.12 -3.40 116.94 114.50 3fkh h PHE 58 Ca 0.04 -0.05 -0.78 0.00 3.53 0.00 0.00 57.97 60.70 3fkh h PHE 58 Cb 0.07 -0.07 -0.24 0.00 2.79 0.00 0.00 35.95 38.50 3fkh h PHE 58 CO -0.05 0.50 0.85 0.43 -2.23 0.00 0.00 178.31 177.81 3fkh n SER 59 N -4.15 5.55 -1.58 0.41 7.64 0.27 -4.84 113.62 116.94 3fkh n SER 59 Ca -0.01 -3.08 -0.01 0.00 1.01 0.00 0.00 58.87 56.78 3fkh n SER 59 Cb 0.38 -1.42 0.02 0.00 -1.01 0.00 0.00 64.21 62.18 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 3.33 -0.35 -4.79 6.43 3.02 -1.26 -4.90 115.26 116.72 3fkh n ASN 61 Ca 0.29 -1.16 -0.35 0.00 -0.03 0.00 0.00 54.58 53.33 3fkh n ASN 61 Cb 0.39 0.16 -0.04 0.00 -0.61 0.00 0.00 39.78 39.68 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 -0.85 3.92 0.33 3.41 1.43 -1.26 -4.76 118.68 120.89 3fkh s LEU 62 Ca 0.02 1.94 -0.28 0.00 -1.03 0.00 0.00 54.13 54.78 3fkh s LEU 62 Cb 0.09 -4.47 -0.10 0.00 0.03 0.00 0.00 46.19 41.74 3fkh s LEU 62 CO -0.03 -0.70 1.22 0.21 0.23 0.00 0.00 176.35 177.29 3fkh s ASN 63 N -1.89 6.87 0.41 2.29 3.84 0.16 -4.93 114.94 121.70 3fkh s ASN 63 Ca 0.65 2.50 0.16 0.00 0.21 0.00 0.00 52.86 56.38 3fkh s ASN 63 Cb -0.17 -2.64 0.90 0.00 -0.55 0.00 0.00 41.25 38.79 3fkh s ASN 63 CO 0.21 -0.44 1.89 0.45 -2.79 0.00 0.00 177.10 176.42 3fkh h HIS 64 N 3.37 0.00 -2.97 0.43 3.86 -1.88 -3.42 115.15 114.54 3fkh h HIS 64 Ca -0.48 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.18 3fkh h HIS 64 Cb 1.22 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.68 3fkh h HIS 64 CO 0.56 0.29 0.80 -0.51 0.86 0.00 0.00 177.93 179.94 3fkh s ASP 65 N -6.76 6.95 0.21 2.45 1.01 -1.26 0.03 116.67 119.30 3fkh s ASP 65 Ca -0.03 1.91 0.01 0.00 0.71 0.00 0.00 52.55 55.15 3fkh s ASP 65 Cb 0.14 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.47 3fkh s ASP 65 CO 0.69 -0.68 0.05 0.68 0.21 0.00 0.00 175.17 176.12 3fkh s VAL 66 N 2.63 0.58 -0.08 -1.27 -7.23 0.17 -4.63 120.40 110.56 3fkh s VAL 66 Ca 0.59 -1.99 -0.00 0.00 -1.81 0.00 0.00 61.98 58.77 3fkh s VAL 66 Cb -0.27 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.26 3fkh s VAL 66 CO 0.22 -0.23 -0.05 -0.76 -0.31 0.00 0.00 175.10 173.98 3fkh s LEU 67 N -3.24 3.29 -0.08 1.32 1.43 -0.91 -1.30 118.68 119.19 3fkh s LEU 67 Ca 0.31 0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.47 3fkh s LEU 67 Cb 0.07 -1.74 -0.00 0.00 0.03 0.00 0.00 46.19 44.55 3fkh s LEU 67 CO 0.09 0.35 -0.24 0.12 0.23 0.00 0.00 176.35 176.90 3fkh s PHE 68 N -0.70 2.46 0.02 0.29 2.19 0.59 -0.06 117.98 122.77 3fkh s PHE 68 Ca 0.11 -0.90 0.03 0.00 0.33 0.00 0.00 56.93 56.50 3fkh s PHE 68 Cb -0.11 -1.64 -0.02 0.00 -1.31 0.00 0.00 43.02 39.94 3fkh s PHE 68 CO 0.02 -0.34 -0.11 -2.00 1.83 0.00 0.00 175.22 174.63 3fkh s GLU 69 N 0.16 0.75 0.03 10.12 -6.30 0.73 0.08 118.70 124.26 3fkh s GLU 69 Ca -0.13 -0.59 -0.09 0.00 -2.50 0.00 0.00 54.97 51.66 3fkh s GLU 69 Cb -0.16 -0.69 0.00 0.00 0.00 0.00 0.00 34.13 33.28 3fkh s GLU 69 CO 0.07 0.17 0.17 0.00 0.02 0.00 0.00 175.26 175.69 3fkh s ALA 70 N -0.73 -0.33 0.27 6.30 0.00 -0.79 -0.07 121.76 126.41 3fkh s ALA 70 Ca -0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.48 3fkh s ALA 70 Cb -0.07 0.23 0.03 0.00 0.00 0.00 0.00 23.12 23.31 3fkh s ALA 70 CO 0.01 -0.32 0.72 0.16 0.00 0.00 0.00 175.76 176.33 3fkh s ASP 71 N -1.91 -0.28 -0.25 0.00 1.47 -1.26 -1.08 116.67 113.36 3fkh s ASP 71 Ca -0.07 -0.56 -0.26 0.00 1.18 0.00 0.00 52.55 52.84 3fkh s ASP 71 Cb -0.03 0.71 0.10 0.00 -0.34 0.00 0.00 42.92 43.37 3fkh s ASP 71 CO -0.02 -1.31 0.90 -0.70 0.68 0.00 0.00 175.17 174.71 3fkh s GLU 72 N -3.89 0.67 -0.23 2.11 2.12 -0.67 -5.00 118.70 113.80 3fkh s GLU 72 Ca 0.10 0.66 0.02 0.00 0.36 0.00 0.00 54.97 56.11 3fkh s GLU 72 Cb -0.05 0.33 0.05 0.00 0.26 0.00 0.00 34.13 34.71 3fkh s GLU 72 CO 0.05 -0.11 -0.12 0.08 -0.54 0.00 0.00 175.26 174.63 3fkh s VAL 73 N 0.02 1.98 -0.23 3.70 1.01 -1.26 -1.30 120.40 124.32 3fkh s VAL 73 Ca 0.00 -1.36 -0.13 0.00 0.00 0.00 0.00 61.98 60.49 3fkh s VAL 73 Cb -0.04 -2.05 0.07 0.00 0.00 0.00 0.00 36.38 34.36 3fkh s VAL 73 CO -0.02 0.09 0.56 -0.75 0.00 0.00 0.00 175.10 174.98 3fkh s LYS 74 N 1.22 0.57 -1.27 2.72 2.20 0.25 -5.00 119.74 120.43 3fkh s LYS 74 Ca -0.05 1.01 -0.00 0.00 -0.36 0.00 0.00 55.97 56.57 3fkh s LYS 74 Cb -0.18 0.08 -0.00 0.00 -1.51 0.00 0.00 37.83 36.22 3fkh s LYS 74 CO -0.07 -0.15 0.81 -0.25 -0.36 0.00 0.00 175.35 175.33 3fkh n ASP 75 N 4.19 -1.47 -1.80 1.43 8.00 -1.26 -2.07 116.55 123.57 3fkh n ASP 75 Ca -0.21 -0.75 -0.21 0.00 0.71 0.00 0.00 54.79 54.34 3fkh n ASP 75 Cb 0.57 -4.45 -0.07 0.00 -0.02 0.00 0.00 41.12 37.15 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 -1.41 1.33 2.89 0.44 0.00 -1.26 -4.97 105.19 102.21 3fkh n GLY 76 Ca -0.30 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.54 3fkh n GLY 76 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fkh s LYS 77 N -4.08 0.67 0.09 1.61 2.47 -0.88 -1.01 119.74 118.61 3fkh s LYS 77 Ca 0.00 -0.09 0.06 0.00 -1.56 0.00 0.00 55.97 54.38 3fkh s LYS 77 Cb 0.00 -0.70 -0.03 0.00 -1.46 0.00 0.00 37.83 35.64 3fkh s LYS 77 CO 0.00 -0.05 -0.16 0.00 0.16 0.00 0.00 175.35 175.30 3fkh s ALA 78 N 0.75 1.41 0.08 3.13 0.00 0.36 -0.59 121.76 126.90 3fkh s ALA 78 Ca -0.09 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.62 3fkh s ALA 78 Cb -0.12 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.88 3fkh s ALA 78 CO -0.00 0.21 0.29 1.67 0.00 0.00 0.00 175.76 177.93 3fkh s TRP 79 N -1.37 -0.05 0.01 0.00 1.48 -0.42 0.16 118.94 118.74 3fkh s TRP 79 Ca 0.02 -0.22 0.01 0.00 -1.06 0.00 0.00 56.10 54.85 3fkh s TRP 79 Cb -0.09 0.09 -0.01 0.00 -1.16 0.00 0.00 33.47 32.30 3fkh s TRP 79 CO 0.03 -0.56 -0.03 -1.54 -4.06 0.00 0.00 176.95 170.79 3fkh s SER 80 N -2.49 0.33 -0.08 -2.66 1.04 -0.39 -1.67 113.70 107.79 3fkh s SER 80 Ca -0.00 -0.17 0.02 0.00 0.48 0.00 0.00 55.95 56.28 3fkh s SER 80 Cb 0.02 -0.00 0.01 0.00 0.10 0.00 0.00 66.02 66.15 3fkh s SER 80 CO -0.08 -0.05 -0.13 -0.69 0.98 0.00 0.00 173.24 173.28 3fkh s VAL 81 N -0.41 1.22 -0.11 5.02 1.01 -0.24 -1.20 120.40 125.68 3fkh s VAL 81 Ca -0.03 -0.51 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3fkh s VAL 81 Cb -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.22 3fkh s VAL 81 CO -0.00 0.38 -0.22 -0.69 0.00 0.00 0.00 175.10 174.57 3fkh s VAL 82 N 0.80 2.20 -0.06 2.92 1.01 0.25 -1.88 120.40 125.63 3fkh s VAL 82 Ca -0.12 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 60.95 3fkh s VAL 82 Cb -0.15 -1.86 -0.01 0.00 0.00 0.00 0.00 36.38 34.36 3fkh s VAL 82 CO 0.02 0.55 -0.24 -0.69 0.00 0.00 0.00 175.10 174.75 3fkh s VAL 83 N 0.45 1.96 -0.26 2.92 1.01 0.11 -0.91 120.40 125.68 3fkh s VAL 83 Ca -0.15 -1.00 -0.11 0.00 0.00 0.00 0.00 61.98 60.72 3fkh s VAL 83 Cb -0.17 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.49 3fkh s VAL 83 CO 0.06 0.55 0.17 -0.13 0.00 0.00 0.00 175.10 175.75 3fkh s ARG 84 N -0.02 4.01 0.08 2.72 0.52 -0.32 -0.30 118.95 125.63 3fkh s ARG 84 Ca -0.07 -0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 54.76 3fkh s ARG 84 Cb -0.14 -3.58 -0.00 0.00 0.52 0.00 0.00 34.95 31.74 3fkh s ARG 84 CO 0.05 -0.04 0.19 0.00 0.02 0.00 0.00 175.30 175.51 3fkh s ALA 85 N 1.36 -0.24 -0.20 2.13 0.00 -0.42 0.02 121.76 124.40 3fkh s ALA 85 Ca 0.07 -0.57 -0.13 0.00 0.00 0.00 0.00 51.96 51.33 3fkh s ALA 85 Cb -0.15 0.45 -0.05 0.00 0.00 0.00 0.00 23.12 23.38 3fkh s ALA 85 CO 0.07 -0.48 0.26 0.95 0.00 0.00 0.00 175.76 176.56 3fkh s THR 86 N -3.64 5.30 -0.02 0.00 -4.23 -0.97 0.41 115.64 112.50 3fkh s THR 86 Ca 0.03 0.44 -0.04 0.00 -1.18 0.00 0.00 61.69 60.94 3fkh s THR 86 Cb 0.04 -3.60 -0.04 0.00 1.34 0.00 0.00 72.50 70.24 3fkh s THR 86 CO -0.10 0.34 0.19 0.00 -0.54 0.00 0.00 174.62 174.51 3fkh s ALA 87 N 0.92 3.94 -0.10 3.99 0.00 0.10 -1.82 121.76 128.80 3fkh s ALA 87 Ca 0.13 -0.73 -0.18 0.00 0.00 0.00 0.00 51.96 51.19 3fkh s ALA 87 Cb -0.13 -1.91 0.04 0.00 0.00 0.00 0.00 23.12 21.11 3fkh s ALA 87 CO 0.05 0.72 0.44 -1.83 0.00 0.00 0.00 175.76 175.14 3fkh s GLU 88 N -1.83 0.66 0.16 0.00 -1.05 -0.86 -4.80 118.70 110.98 3fkh s GLU 88 Ca 0.26 0.30 -0.30 0.00 -0.15 0.00 0.00 54.97 55.09 3fkh s GLU 88 Cb -0.13 0.31 -0.07 0.00 -0.44 0.00 0.00 34.13 33.80 3fkh s GLU 88 CO 0.17 -0.14 1.13 0.42 0.95 0.00 0.00 175.26 177.79 3fkh s ILE 89 N -0.49 3.84 -0.30 1.83 -1.09 -1.26 -1.21 121.20 122.52 3fkh s ILE 89 Ca -0.06 1.54 -0.29 0.00 -2.23 0.00 0.00 60.65 59.60 3fkh s ILE 89 Cb -0.03 -3.98 0.01 0.00 -1.58 0.00 0.00 42.46 36.87 3fkh s ILE 89 CO 0.03 0.24 1.20 -0.69 -1.23 0.00 0.00 174.94 174.49 3fkh s VAL 90 N -0.00 4.31 -0.27 2.92 1.01 0.51 -4.90 120.40 123.98 3fkh s VAL 90 Ca 0.51 1.50 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 3fkh s VAL 90 Cb -0.30 -4.27 -0.14 0.00 0.00 0.00 0.00 36.38 31.68 3fkh s VAL 90 CO 0.34 -0.46 -0.27 -2.11 0.00 0.00 0.00 175.10 172.60 3fkh n ARG 91 N 7.08 0.60 -1.75 2.72 0.00 -1.26 -4.68 116.66 119.36 3fkh n ARG 91 Ca 0.13 0.28 -0.42 0.00 -0.00 0.00 0.00 57.85 57.85 3fkh n ARG 91 Cb 0.47 -1.53 -0.03 0.00 -0.00 0.00 0.00 32.46 31.37 3fkh n ARG 91 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3fkh s LYS 92 N -2.50 4.13 0.42 2.89 1.02 -1.26 -4.88 119.74 119.57 3fkh s LYS 92 Ca -0.37 2.58 0.11 0.00 0.02 0.00 0.00 55.97 58.31 3fkh s LYS 92 Cb 0.13 -3.07 0.91 0.00 -0.52 0.00 0.00 37.83 35.28 3fkh s LYS 92 CO 0.52 -0.72 1.99 -0.07 -0.92 0.00 0.00 175.35 176.15 3fkh h LEU 93 N 6.45 0.19 -0.71 3.17 4.07 -1.99 -0.84 115.31 125.65 3fkh h LEU 93 Ca -0.44 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 57.40 3fkh h LEU 93 Cb 1.20 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 42.88 3fkh h LEU 93 CO 0.93 0.28 -0.05 -2.24 -1.08 0.00 0.00 178.44 176.27 3fkh h ASP 94 N 0.20 0.93 -0.33 -0.43 2.03 -1.99 -0.96 116.42 115.87 3fkh h ASP 94 Ca 0.05 -0.27 -0.17 0.00 -0.73 0.00 0.00 57.03 55.90 3fkh h ASP 94 Cb 0.24 -0.25 -0.00 0.00 -0.83 0.00 0.00 39.33 38.49 3fkh h ASP 94 CO 0.01 1.01 -0.47 -0.33 -1.03 0.00 0.00 179.24 178.44 3fkh h GLU 95 N 0.86 0.90 -0.39 4.15 5.08 -1.80 -1.13 114.58 122.25 3fkh h GLU 95 Ca 0.15 -0.53 -0.03 0.00 -1.00 0.00 0.00 59.36 57.95 3fkh h GLU 95 Cb 0.57 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3fkh h GLU 95 CO 0.03 1.17 0.11 0.82 -1.00 0.00 0.00 179.01 180.15 3fkh h ILE 96 N 0.70 1.22 -0.51 3.13 2.04 -1.12 -0.62 117.51 122.35 3fkh h ILE 96 Ca 0.04 -0.73 0.03 0.00 1.00 0.00 0.00 64.86 65.20 3fkh h ILE 96 Cb 1.07 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 3fkh h ILE 96 CO 0.11 0.25 0.30 0.00 0.00 0.00 0.00 178.15 178.81 3fkh h ALA 97 N 0.96 0.66 -0.62 1.87 0.00 -1.12 -1.29 119.26 119.72 3fkh h ALA 97 Ca 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3fkh h ALA 97 Cb 0.27 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 3fkh h ALA 97 CO -0.00 -0.00 0.25 -0.92 0.00 0.00 0.00 179.25 178.57 3fkh h TYR 98 N 0.60 0.95 -0.45 0.00 3.20 -1.08 -2.74 116.97 117.44 3fkh h TYR 98 Ca 0.21 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 3fkh h TYR 98 Cb 0.04 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 3fkh h TYR 98 CO -0.07 0.75 0.23 0.00 -1.64 0.00 0.00 178.16 177.43 3fkh h ALA 99 N 1.10 1.56 0.00 1.82 0.00 -0.73 -2.50 119.26 120.50 3fkh h ALA 99 Ca 0.21 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3fkh h ALA 99 Cb 0.21 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3fkh h ALA 99 CO -0.02 0.36 -0.11 -0.44 0.00 0.00 0.00 179.25 179.05 3fkh h ASP 100 N 0.62 0.00 1.49 0.00 3.32 -0.93 -2.61 116.42 118.31 3fkh h ASP 100 Ca 0.16 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3fkh h ASP 100 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3fkh h ASP 100 CO -0.02 0.11 0.00 0.71 -1.72 0.00 0.00 179.24 178.31 3fkh h THR 101 N 0.00 0.00 -3.87 0.35 1.35 -1.39 -3.46 112.91 105.88 3fkh h THR 101 Ca -0.00 -0.64 -0.49 0.00 -0.55 0.00 0.00 66.41 64.74 3fkh h THR 101 Cb 0.27 1.60 0.01 0.00 -1.73 0.00 0.00 68.15 68.30 3fkh h THR 101 CO 0.01 0.00 0.41 -0.76 -0.25 0.00 0.00 175.52 174.94 3fkh s LEU 102 N -5.38 4.37 -1.09 3.87 1.43 -0.99 -4.93 118.68 115.96 3fkh s LEU 102 Ca 0.07 2.07 -0.18 0.00 -1.03 0.00 0.00 54.13 55.06 3fkh s LEU 102 Cb 0.09 -3.91 -0.07 0.00 0.03 0.00 0.00 46.19 42.33 3fkh s LEU 102 CO 0.59 -0.23 2.10 -1.84 0.23 0.00 0.00 176.35 177.19 3fkh n GLU 103 N 0.62 2.17 -4.24 1.70 -0.00 -1.26 -4.89 120.64 114.73 3fkh n GLU 103 Ca 0.02 -2.15 -0.33 0.00 -0.00 0.00 0.00 57.16 54.69 3fkh n GLU 103 Cb 0.48 -3.05 -0.16 0.00 -0.00 0.00 0.00 31.44 28.71 3fkh n GLU 103 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 3fkh s LEU 104 N 1.51 2.27 -0.13 -1.84 2.96 -1.26 -4.99 118.68 117.21 3fkh s LEU 104 Ca 0.53 -0.58 -0.29 0.00 -0.22 0.00 0.00 54.13 53.56 3fkh s LEU 104 Cb 0.14 -1.52 -0.03 0.00 0.50 0.00 0.00 46.19 45.29 3fkh s LEU 104 CO 0.02 0.02 1.37 -1.59 -1.32 0.00 0.00 176.35 174.85 3fkh s LYS 105 N 1.17 4.23 0.17 1.98 -2.85 -1.26 -5.06 119.74 118.12 3fkh s LYS 105 Ca 0.02 1.81 0.23 0.00 -1.00 0.00 0.00 55.97 57.03 3fkh s LYS 105 Cb -0.14 -3.81 0.19 0.00 -2.06 0.00 0.00 37.83 32.01 3fkh s LYS 105 CO -0.08 -0.73 1.21 -0.07 0.10 0.00 0.00 175.35 175.78 3fkh h LEU 111 N 9.74 0.00 -9.53 2.77 3.38 -2.03 -3.48 115.31 116.16 3fkh h LEU 111 Ca -0.30 -0.12 -0.64 0.00 0.09 0.00 0.00 57.88 56.91 3fkh h LEU 111 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 3fkh h LEU 111 CO 0.96 0.06 -0.42 -0.75 0.09 0.00 0.00 178.44 178.38 3fkh s LYS 112 N -3.25 3.77 0.25 1.13 2.47 -1.26 -5.09 119.74 117.75 3fkh s LYS 112 Ca 0.03 -0.05 -0.18 0.00 -1.56 0.00 0.00 55.97 54.22 3fkh s LYS 112 Cb 0.11 -3.27 0.02 0.00 -1.46 0.00 0.00 37.83 33.23 3fkh s LYS 112 CO 0.75 0.60 0.60 1.52 0.16 0.00 0.00 175.35 178.98 3fkh s TYR 113 N -0.56 -0.02 0.16 4.03 1.13 -1.26 -4.60 117.35 116.23 3fkh s TYR 113 Ca 0.15 -0.37 0.04 0.00 -1.41 0.00 0.00 57.07 55.48 3fkh s TYR 113 Cb -0.13 0.49 -0.05 0.00 -1.10 0.00 0.00 41.96 41.17 3fkh s TYR 113 CO 0.04 -1.09 -0.09 -0.80 -2.51 0.00 0.00 175.55 171.11 3fkh s ASN 114 N -2.93 1.83 -0.13 -0.18 -0.87 0.23 -4.99 114.94 107.91 3fkh s ASN 114 Ca 0.14 -1.05 -0.02 0.00 -1.57 0.00 0.00 52.86 50.35 3fkh s ASN 114 Cb -0.03 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.25 41.16 3fkh s ASN 114 CO 0.05 -0.36 -0.04 -0.31 -2.57 0.00 0.00 177.10 173.87 3fkh s TYR 115 N -3.33 3.02 -0.24 2.20 2.02 -1.26 -0.28 117.35 119.48 3fkh s TYR 115 Ca 0.19 -0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 56.64 3fkh s TYR 115 Cb 0.03 -1.88 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 3fkh s TYR 115 CO 0.02 0.11 0.09 0.08 -1.57 0.00 0.00 175.55 174.28 3fkh s VAL 116 N -0.05 4.56 -0.24 0.71 1.01 -0.30 -0.36 120.40 125.72 3fkh s VAL 116 Ca 0.01 -0.09 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3fkh s VAL 116 Cb -0.13 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.08 3fkh s VAL 116 CO 0.03 0.35 0.26 -0.60 0.00 0.00 0.00 175.10 175.14 3fkh s ARG 117 N 1.39 4.07 -0.38 2.72 3.52 -0.35 -1.78 118.95 128.14 3fkh s ARG 117 Ca 0.06 -0.10 -0.09 0.00 -0.13 0.00 0.00 55.73 55.47 3fkh s ARG 117 Cb -0.15 -3.58 0.06 0.00 -1.56 0.00 0.00 34.95 29.72 3fkh s ARG 117 CO 0.04 -0.06 0.20 0.42 -0.81 0.00 0.00 175.30 175.10 3fkh s ILE 118 N 1.40 4.17 -0.36 4.11 1.01 0.74 -2.03 121.20 130.24 3fkh s ILE 118 Ca 0.12 -1.20 -0.16 0.00 0.00 0.00 0.00 60.65 59.41 3fkh s ILE 118 Cb -0.15 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.87 3fkh s ILE 118 CO 0.07 -0.35 0.39 -0.69 0.00 0.00 0.00 174.94 174.36 3fkh s VAL 119 N 1.44 5.14 0.33 2.92 1.01 -0.75 -0.95 120.40 129.54 3fkh s VAL 119 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 3fkh s VAL 119 Cb -0.21 -3.87 -0.10 0.00 0.00 0.00 0.00 36.38 32.19 3fkh s VAL 119 CO 0.03 -0.16 1.37 -2.84 0.00 0.00 0.00 175.10 173.50 3fkh s PRO 120 N 2.07 4.28 -0.23 2.72 0.02 -1.26 -2.29 135.00 140.32 3fkh s PRO 120 Ca 0.12 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.46 3fkh s PRO 120 Cb -0.17 -3.05 -0.14 0.00 0.02 0.00 0.00 34.50 31.16 3fkh s PRO 120 CO 0.12 -0.31 -0.21 0.09 -0.33 0.00 0.00 177.00 176.36 3fkh n ASN 121 N 1.00 2.18 -3.87 2.53 3.02 0.10 -4.94 115.26 115.28 3fkh n ASN 121 Ca 0.01 -0.07 -0.13 0.00 -0.03 0.00 0.00 54.58 54.36 3fkh n ASN 121 Cb 0.41 -0.40 -0.14 0.00 -0.61 0.00 0.00 39.78 39.03 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 0.08 -0.11 3.52 2.12 -1.04 -5.02 118.70 115.80 3fkh s GLU 122 Ca -0.31 0.00 0.01 0.00 0.36 0.00 0.00 54.97 55.03 3fkh s GLU 122 Cb 0.08 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.36 3fkh s GLU 122 CO 0.51 -0.02 -0.12 0.42 -0.54 0.00 0.00 175.26 175.52 3fkh s ILE 123 N 0.20 1.25 -0.15 -3.70 1.01 -1.26 -1.17 121.20 117.38 3fkh s ILE 123 Ca -0.02 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3fkh s ILE 123 Cb -0.03 -1.19 0.01 0.00 0.01 0.00 0.00 42.46 41.26 3fkh s ILE 123 CO -0.01 0.40 -0.20 -0.89 0.00 0.00 0.00 174.94 174.24 3fkh s THR 124 N 1.25 1.94 -0.02 2.92 2.01 -0.09 -4.74 115.64 118.92 3fkh s THR 124 Ca -0.02 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.12 3fkh s THR 124 Cb -0.14 -1.74 -0.00 0.00 0.01 0.00 0.00 72.50 70.63 3fkh s THR 124 CO -0.04 0.52 -0.11 -0.83 -0.69 0.00 0.00 174.62 173.47 3fkh s GLY 125 N 1.02 0.59 -0.01 4.40 0.00 -1.26 -0.59 107.32 111.47 3fkh s GLY 125 Ca -0.03 -0.46 0.03 0.00 0.00 0.00 0.00 44.72 44.25 3fkh s GLY 125 CO -0.06 -0.31 -0.09 0.50 0.00 0.00 0.00 173.10 173.15 3fkh s ARG 126 N -0.10 0.78 -0.04 2.90 1.81 -0.34 -0.72 118.95 123.24 3fkh s ARG 126 Ca 0.01 -0.30 0.07 0.00 -1.72 0.00 0.00 55.73 53.79 3fkh s ARG 126 Cb -0.06 -0.75 -0.02 0.00 -0.45 0.00 0.00 34.95 33.67 3fkh s ARG 126 CO 0.00 0.16 -0.24 -2.00 -0.68 0.00 0.00 175.30 172.54 3fkh s GLU 127 N -0.06 2.31 -0.14 3.54 2.12 -0.28 -1.26 118.70 124.94 3fkh s GLU 127 Ca 0.01 -0.89 0.01 0.00 0.36 0.00 0.00 54.97 54.45 3fkh s GLU 127 Cb -0.05 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.23 3fkh s GLU 127 CO -0.00 0.50 -0.15 -0.06 -0.54 0.00 0.00 175.26 175.02 3fkh s PHE 128 N -0.46 2.16 -0.40 5.30 0.40 0.41 -0.78 117.98 124.61 3fkh s PHE 128 Ca 0.05 -1.19 -0.26 0.00 -0.60 0.00 0.00 56.93 54.94 3fkh s PHE 128 Cb -0.11 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.85 3fkh s PHE 128 CO 0.01 -0.64 0.93 0.99 0.70 0.00 0.00 175.22 177.21 3fkh s THR 129 N 1.40 4.53 0.70 0.64 2.01 -0.55 -0.48 115.64 123.88 3fkh s THR 129 Ca 0.03 1.05 -0.10 0.00 0.31 0.00 0.00 61.69 62.98 3fkh s THR 129 Cb -0.13 -4.38 0.03 0.00 0.01 0.00 0.00 72.50 68.03 3fkh s THR 129 CO -0.09 -0.65 1.06 -0.76 -0.69 0.00 0.00 174.62 173.49 3fkh s LEU 130 N 3.60 2.90 0.82 4.42 1.43 -0.18 -4.85 118.68 126.82 3fkh s LEU 130 Ca 0.38 0.95 -0.11 0.00 -1.03 0.00 0.00 54.13 54.32 3fkh s LEU 130 Cb -0.11 -3.69 0.08 0.00 0.03 0.00 0.00 46.19 42.50 3fkh s LEU 130 CO 0.22 -1.39 1.09 -0.83 0.23 0.00 0.00 176.35 175.67 3fkh s GLY 131 N -4.39 1.63 0.00 -3.19 0.00 -1.26 -4.91 107.32 95.20 3fkh s GLY 131 Ca 0.58 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3fkh s GLY 131 CO 0.49 0.38 0.39 -2.21 0.00 0.00 0.00 173.10 172.16