#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n LYS 3 N 0.00 0.00 -1.40 0.54 4.81 -1.26 -4.87 118.16 115.98 3kni n LYS 3 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 3kni n LYS 3 Cb 0.00 -0.37 0.08 0.00 0.02 0.00 0.00 35.03 34.76 3kni n LYS 3 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3kni s MET 4 N 0.48 2.32 -0.22 1.64 -1.94 -1.26 -5.05 119.30 115.27 3kni s MET 4 Ca 0.25 1.34 0.01 0.00 -1.71 0.00 0.00 55.69 55.58 3kni s MET 4 Cb -0.35 -1.89 0.03 0.00 2.01 0.00 0.00 34.83 34.63 3kni s MET 4 CO 0.18 -1.62 -0.14 0.15 -0.01 0.00 0.00 175.02 173.58 3kni s LYS 5 N -4.49 2.74 0.08 2.03 1.02 -1.26 -4.88 119.74 114.98 3kni s LYS 5 Ca 0.65 -1.01 -0.37 0.00 0.02 0.00 0.00 55.97 55.26 3kni s LYS 5 Cb -0.20 -2.77 -0.17 0.00 -0.52 0.00 0.00 37.83 34.17 3kni s LYS 5 CO 0.50 -0.36 1.22 0.25 -0.92 0.00 0.00 175.35 176.04 3kni n THR 6 N 4.58 0.19 -2.23 2.17 -2.24 -1.26 -4.76 114.28 110.72 3kni n THR 6 Ca -0.18 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.14 3kni n THR 6 Cb 0.47 -0.60 -0.03 0.00 -2.10 0.00 0.00 70.33 68.08 3kni n THR 6 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3kni s HIS 7 N 0.22 2.11 0.01 4.78 2.46 0.17 -4.79 115.29 120.26 3kni s HIS 7 Ca 0.84 0.61 0.30 0.00 0.47 0.00 0.00 55.06 57.28 3kni s HIS 7 Cb -1.02 -4.26 1.50 0.00 -0.13 0.00 0.00 32.58 28.67 3kni s HIS 7 CO 0.50 -2.26 1.91 -0.22 -2.47 0.00 0.00 174.74 172.21 3kni h LYS 8 N 12.01 0.00 0.00 2.88 1.63 -1.89 -1.57 116.57 129.63 3kni h LYS 8 Ca -0.28 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.44 3kni h LYS 8 Cb 1.12 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 3kni h LYS 8 CO 1.13 0.00 -0.38 0.78 -3.45 0.00 0.00 179.45 177.52 3kni h GLY 9 N 0.82 0.00 0.00 5.01 0.00 -1.98 -3.27 103.07 103.65 3kni h GLY 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kni h GLY 9 CO 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 176.54 176.48 3kni h ALA 10 N 1.62 0.00 -0.98 3.60 0.00 -1.68 -3.34 119.26 118.48 3kni h ALA 10 Ca -0.00 -0.25 0.31 0.00 0.00 0.00 0.00 54.91 54.97 3kni h ALA 10 Cb 0.68 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3kni h ALA 10 CO 0.05 0.06 0.66 1.17 0.00 0.00 0.00 179.25 181.19 3kni n LYS 11 N -2.53 -0.01 0.16 0.00 4.81 -1.16 0.33 118.16 119.76 3kni n LYS 11 Ca -0.01 0.73 0.02 0.00 -0.87 0.00 0.00 58.31 58.18 3kni n LYS 11 Cb 0.03 -1.52 0.22 0.00 0.02 0.00 0.00 35.03 33.78 3kni n LYS 11 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3kni h LYS 12 N 0.00 0.00 0.00 1.64 1.57 -1.74 -3.35 116.57 114.70 3kni h LYS 12 Ca 0.55 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.31 3kni h LYS 12 Cb 1.95 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.21 3kni h LYS 12 CO -0.18 0.51 -0.35 2.89 -0.57 0.00 0.00 179.45 181.75 3kni n ARG 13 N -3.56 0.83 -3.54 3.15 1.85 1.00 -5.08 116.66 111.32 3kni n ARG 13 Ca -0.00 -2.21 -0.14 0.00 -1.00 0.00 0.00 57.85 54.50 3kni n ARG 13 Cb 0.60 -1.07 -0.05 0.00 -1.05 0.00 0.00 32.46 30.89 3kni n ARG 13 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3kni s VAL 14 N -1.81 0.00 0.37 8.89 0.11 -0.78 -4.66 120.40 122.51 3kni s VAL 14 Ca 0.25 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.38 3kni s VAL 14 Cb 0.23 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 34.02 3kni s VAL 14 CO -0.02 0.00 0.04 -0.75 -3.33 0.00 0.00 175.10 171.04 3kni s LYS 15 N -1.52 2.05 -0.47 1.54 2.20 -1.17 -4.51 119.74 117.85 3kni s LYS 15 Ca -0.05 -1.87 0.04 0.00 -0.36 0.00 0.00 55.97 53.73 3kni s LYS 15 Cb -0.00 -1.85 0.17 0.00 -1.51 0.00 0.00 37.83 34.64 3kni s LYS 15 CO 0.03 0.04 0.36 -1.50 -0.36 0.00 0.00 175.35 173.92 3kni s ILE 16 N -2.59 0.87 1.01 5.43 2.07 -1.26 -1.55 121.20 125.18 3kni s ILE 16 Ca 0.36 -2.94 -0.16 0.00 -1.41 0.00 0.00 60.65 56.50 3kni s ILE 16 Cb 0.03 -1.60 0.03 0.00 0.13 0.00 0.00 42.46 41.05 3kni s ILE 16 CO 0.19 -1.17 0.05 0.35 -1.91 0.00 0.00 174.94 172.45 3kni n THR 17 N 2.73 0.00 0.00 4.00 -2.24 -0.78 -4.73 114.28 113.27 3kni n THR 17 Ca 0.27 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3kni n THR 17 Cb 0.45 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 3kni n THR 17 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kni n ALA 18 N -3.74 1.06 0.00 6.98 0.00 -1.26 -2.16 120.51 121.39 3kni n ALA 18 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 3kni n ALA 18 Cb 0.58 -0.76 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3kni n ALA 18 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3kni n SER 19 N 0.77 0.00 0.00 0.00 7.64 -1.26 -5.04 113.62 115.73 3kni n SER 19 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kni n SER 19 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kni n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3kni n GLY 20 N 0.01 4.06 3.22 0.23 0.00 -0.92 -5.09 105.19 106.70 3kni n GLY 20 Ca 0.00 -0.78 -0.55 0.00 0.00 0.00 0.00 46.02 44.69 3kni n GLY 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kni n LYS 21 N 0.00 0.00 -3.77 1.61 5.02 -1.26 -4.64 118.16 115.11 3kni n LYS 21 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3kni n LYS 21 Cb 0.00 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 33.57 3kni n LYS 21 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kni s VAL 22 N 0.39 5.43 -0.20 -0.18 1.01 -1.26 -1.86 120.40 123.73 3kni s VAL 22 Ca 0.85 0.26 -0.03 0.00 0.00 0.00 0.00 61.98 63.06 3kni s VAL 22 Cb -1.19 -3.46 0.06 0.00 0.00 0.00 0.00 36.38 31.79 3kni s VAL 22 CO 0.55 0.53 0.03 -0.69 0.00 0.00 0.00 175.10 175.52 3kni s VAL 23 N -0.34 0.57 0.09 2.92 1.01 -0.59 -3.69 120.40 120.37 3kni s VAL 23 Ca 0.13 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kni s VAL 23 Cb -0.12 -1.08 0.01 0.00 0.00 0.00 0.00 36.38 35.19 3kni s VAL 23 CO 0.02 -0.22 0.09 0.00 0.00 0.00 0.00 175.10 174.99 3kni n ALA 24 N 5.03 0.16 -1.98 5.51 0.00 -1.13 -3.07 120.51 125.03 3kni n ALA 24 Ca -0.09 -0.37 -0.25 0.00 0.00 0.00 0.00 53.44 52.73 3kni n ALA 24 Cb 0.47 0.14 0.14 0.00 0.00 0.00 0.00 19.45 20.19 3kni n ALA 24 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3kni s MET 25 N -2.40 1.29 0.10 0.00 1.00 -1.26 -1.23 119.30 116.81 3kni s MET 25 Ca 0.07 -0.99 -0.12 0.00 0.00 0.00 0.00 55.69 54.64 3kni s MET 25 Cb -0.01 -2.19 -0.06 0.00 0.00 0.00 0.00 34.83 32.57 3kni s MET 25 CO 0.04 -1.78 0.47 0.15 0.00 0.00 0.00 175.02 173.90 3kni s LYS 26 N -5.37 3.88 0.66 2.03 -0.14 -1.15 -4.54 119.74 115.11 3kni s LYS 26 Ca 0.69 0.35 0.03 0.00 -1.36 0.00 0.00 55.97 55.68 3kni s LYS 26 Cb -0.04 -2.99 0.11 0.00 -1.68 0.00 0.00 37.83 33.23 3kni s LYS 26 CO 0.47 0.54 0.91 0.95 -0.76 0.00 0.00 175.35 177.46 3kni s THR 27 N -1.40 2.17 0.00 2.17 -4.23 -1.26 -4.71 115.64 108.39 3kni s THR 27 Ca 0.34 -0.74 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3kni s THR 27 Cb -0.15 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3kni s THR 27 CO 0.18 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 3kni n GLY 28 N -2.61 0.83 2.63 3.99 0.00 -1.26 -5.02 105.19 103.75 3kni n GLY 28 Ca 0.15 -0.57 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 3kni n GLY 28 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kni n LYS 29 N -1.92 1.14 -0.00 1.61 2.85 -1.26 -4.45 118.16 116.12 3kni n LYS 29 Ca 0.00 -2.69 0.05 0.00 -1.05 0.00 0.00 58.31 54.61 3kni n LYS 29 Cb 0.12 -0.86 -0.07 0.00 -0.65 0.00 0.00 35.03 33.57 3kni n LYS 29 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 3kni n ARG 30 N -0.18 1.20 -0.07 -1.58 0.00 -1.26 -4.85 116.66 109.91 3kni n ARG 30 Ca 0.06 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 3kni n ARG 30 Cb 0.81 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 32.12 3kni n ARG 30 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.63 175.24 3kni n HIS 31 N -1.67 0.00 0.09 -0.14 1.44 -1.26 -4.93 115.22 108.74 3kni n HIS 31 Ca -0.01 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.57 3kni n HIS 31 Cb 0.22 0.14 -0.08 0.00 0.12 0.00 0.00 29.99 30.38 3kni n HIS 31 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3kni h LEU 32 N 0.00 -0.17 -0.47 2.39 -0.00 -1.89 -3.44 115.31 111.72 3kni h LEU 32 Ca 0.00 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.63 3kni h LEU 32 Cb 0.68 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 3kni h LEU 32 CO 0.00 0.11 0.01 0.59 -0.00 0.00 0.00 178.44 179.15 3kni n ASN 33 N -5.06 0.02 0.00 -0.43 5.03 -1.26 -4.41 115.26 109.15 3kni n ASN 33 Ca -0.09 0.06 0.00 0.00 0.87 0.00 0.00 54.58 55.42 3kni n ASN 33 Cb 0.20 -0.05 0.00 0.00 -1.02 0.00 0.00 39.78 38.91 3kni n ASN 33 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3kni n TRP 34 N 0.11 0.00 -3.23 3.10 -0.00 -1.26 -4.98 117.44 111.19 3kni n TRP 34 Ca 0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.32 3kni n TRP 34 Cb 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 31.31 31.24 3kni n TRP 34 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 177.69 176.55 3kni s GLN 35 N 0.00 0.89 -0.09 5.87 0.74 -1.26 -5.12 119.66 120.69 3kni s GLN 35 Ca 0.00 -1.59 -0.04 0.00 0.05 0.00 0.00 55.36 53.77 3kni s GLN 35 Cb 0.00 -0.94 0.04 0.00 1.10 0.00 0.00 33.01 33.22 3kni s GLN 35 CO 0.00 -1.33 0.20 0.15 -0.55 0.00 0.00 175.29 173.76 3kni s LYS 36 N 0.55 0.15 0.54 1.67 1.02 -1.26 -5.13 119.74 117.27 3kni s LYS 36 Ca 0.29 0.47 -0.20 0.00 0.02 0.00 0.00 55.97 56.55 3kni s LYS 36 Cb -0.02 -0.15 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 3kni s LYS 36 CO -0.12 -0.17 0.70 -1.13 -0.92 0.00 0.00 175.35 173.71 3kni n SER 37 N 4.28 -0.27 0.06 2.83 3.41 -1.26 -4.78 113.62 117.89 3kni n SER 37 Ca -0.25 0.82 0.04 0.00 -0.26 0.00 0.00 58.87 59.22 3kni n SER 37 Cb 0.52 -1.24 0.43 0.00 -0.26 0.00 0.00 64.21 63.66 3kni n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3kni h GLY 38 N 0.55 0.44 -0.06 5.00 0.00 -2.00 0.51 103.07 107.52 3kni h GLY 38 Ca -0.45 -0.19 0.25 0.00 0.00 0.00 0.00 47.33 46.93 3kni h GLY 38 CO 0.50 0.19 0.79 1.70 0.00 0.00 0.00 176.54 179.71 3kni h LYS 39 N 0.42 0.00 0.00 4.80 3.64 -1.99 -1.67 116.57 121.77 3kni h LYS 39 Ca 0.11 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 3kni h LYS 39 Cb 0.07 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 3kni h LYS 39 CO -0.01 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.56 3kni n GLU 40 N -3.78 0.00 -0.10 1.90 -0.58 0.18 -3.49 120.64 114.77 3kni n GLU 40 Ca 0.18 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.90 3kni n GLU 40 Cb 1.08 -0.06 -0.02 0.00 -0.57 0.00 0.00 31.44 31.87 3kni n GLU 40 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 3kni n ILE 41 N 0.00 -0.17 0.15 -3.67 5.41 -1.16 0.22 119.36 120.14 3kni n ILE 41 Ca 0.00 0.60 0.08 0.00 1.00 0.00 0.00 62.75 64.43 3kni n ILE 41 Cb 0.00 -0.74 0.57 0.00 -0.71 0.00 0.00 39.64 38.76 3kni n ILE 41 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3kni h ARG 42 N 0.00 0.18 -2.03 0.38 2.43 -1.53 -2.36 114.38 111.44 3kni h ARG 42 Ca 0.04 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3kni h ARG 42 Cb 0.10 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3kni h ARG 42 CO -0.23 0.12 -0.09 1.04 -1.51 0.00 0.00 179.97 179.29 3kni n GLN 43 N -4.51 1.17 -3.56 0.20 6.02 0.59 -4.31 117.38 112.98 3kni n GLN 43 Ca 0.00 -0.27 -0.27 0.00 -0.01 0.00 0.00 57.00 56.45 3kni n GLN 43 Cb 0.13 -1.32 -0.10 0.00 1.02 0.00 0.00 30.24 29.97 3kni n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3kni n LYS 44 N 1.86 1.56 0.00 -1.09 4.01 -0.89 -4.91 118.16 118.69 3kni n LYS 44 Ca 0.12 -4.11 0.00 0.00 -0.51 0.00 0.00 58.31 53.81 3kni n LYS 44 Cb 0.56 -2.00 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 3kni n LYS 44 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3kni n GLY 45 N 1.72 3.90 3.94 0.72 0.00 -1.26 -4.85 105.19 109.37 3kni n GLY 45 Ca 0.25 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.28 3kni n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kni s ARG 46 N 3.76 3.37 0.27 1.61 0.52 -1.26 -2.91 118.95 124.31 3kni s ARG 46 Ca 0.00 -0.74 0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3kni s ARG 46 Cb 0.00 -2.87 -0.05 0.00 0.52 0.00 0.00 34.95 32.54 3kni s ARG 46 CO 0.00 0.46 0.05 -1.59 0.02 0.00 0.00 175.30 174.24 3kni s LYS 47 N -3.68 1.45 0.00 3.54 -2.85 -0.36 -4.91 119.74 112.93 3kni s LYS 47 Ca 0.34 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 3kni s LYS 47 Cb -0.10 -0.54 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 3kni s LYS 47 CO 0.28 -0.20 0.00 1.19 0.10 0.00 0.00 175.35 176.72 3kni n PHE 48 N -0.51 -3.50 -3.54 1.78 0.99 -1.26 -2.82 117.46 108.60 3kni n PHE 48 Ca -0.02 0.00 -0.17 0.00 -0.00 0.00 0.00 57.45 57.26 3kni n PHE 48 Cb 0.66 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 39.08 3kni n PHE 48 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.76 176.90 3kni s VAL 49 N -0.29 0.01 -0.08 -4.37 -7.23 -1.24 -4.75 120.40 102.45 3kni s VAL 49 Ca 0.00 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.04 3kni s VAL 49 Cb 0.00 -0.96 0.03 0.00 0.56 0.00 0.00 36.38 36.01 3kni s VAL 49 CO 0.00 -0.04 0.20 -0.22 -0.31 0.00 0.00 175.10 174.73 3kni s LEU 50 N -1.40 0.88 0.00 1.32 2.96 -1.26 -4.71 118.68 116.47 3kni s LEU 50 Ca -0.10 0.41 0.00 0.00 -0.22 0.00 0.00 54.13 54.22 3kni s LEU 50 Cb -0.01 0.62 0.00 0.00 0.50 0.00 0.00 46.19 47.30 3kni s LEU 50 CO 0.07 -0.12 0.00 0.00 -1.32 0.00 0.00 176.35 174.98 3kni n ALA 51 N 3.64 0.00 0.27 5.97 0.00 -1.26 -4.57 120.51 124.57 3kni n ALA 51 Ca -0.20 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.40 3kni n ALA 51 Cb 0.55 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.74 3kni n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3kni h LYS 52 N 0.00 0.00 -0.09 0.00 6.56 -2.00 0.17 116.57 121.21 3kni h LYS 52 Ca 0.00 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.39 3kni h LYS 52 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3kni h LYS 52 CO 0.00 0.00 -0.71 -1.00 -2.06 0.00 0.00 179.45 175.68 3kni h PRO 53 N 0.00 0.64 -0.80 3.15 0.13 -1.84 0.11 132.00 133.39 3kni h PRO 53 Ca 0.05 -0.57 0.19 0.00 -0.87 0.00 0.00 66.00 64.80 3kni h PRO 53 Cb 0.89 0.13 -0.12 0.00 0.13 0.00 0.00 31.00 32.03 3kni h PRO 53 CO -0.00 1.18 0.18 0.93 -0.23 0.00 0.00 178.00 180.06 3kni h GLU 54 N 0.29 0.22 0.51 0.86 5.08 -1.03 1.34 114.58 121.85 3kni h GLU 54 Ca -0.06 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 3kni h GLU 54 Cb 1.36 -0.05 0.01 0.00 0.50 0.00 0.00 28.75 30.56 3kni h GLU 54 CO 0.14 0.15 -0.25 0.00 -1.00 0.00 0.00 179.01 178.05 3kni h ALA 55 N 1.69 -0.92 -1.76 3.43 0.00 -1.52 -3.15 119.26 117.03 3kni h ALA 55 Ca 0.47 -0.15 0.53 0.00 0.00 0.00 0.00 54.91 55.76 3kni h ALA 55 Cb 0.86 0.27 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3kni h ALA 55 CO -0.59 -0.87 1.23 1.49 0.00 0.00 0.00 179.25 180.51 3kni h GLU 56 N -0.86 0.01 0.00 0.00 4.57 0.14 0.27 114.58 118.71 3kni h GLU 56 Ca -0.07 -0.00 -0.15 0.00 -1.18 0.00 0.00 59.36 57.96 3kni h GLU 56 Cb 0.53 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3kni h GLU 56 CO 0.12 0.00 -0.69 0.00 -1.18 0.00 0.00 179.01 177.26 3kni h ARG 57 N 0.01 0.00 -0.09 1.92 3.08 0.17 -3.28 114.38 116.18 3kni h ARG 57 Ca 0.91 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.78 3kni h ARG 57 Cb 3.42 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 33.46 3kni h ARG 57 CO -0.16 0.69 -0.70 0.82 -1.07 0.00 0.00 179.97 179.55 3kni h ILE 58 N 0.00 1.37 0.00 2.04 2.04 -0.46 -2.84 117.51 119.66 3kni h ILE 58 Ca -0.01 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.77 3kni h ILE 58 Cb 1.36 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.50 3kni h ILE 58 CO 0.09 0.63 0.00 0.11 0.00 0.00 0.00 178.15 178.98 3kni h LYS 59 N 0.29 0.00 -2.05 2.37 1.57 -1.62 -1.73 116.57 115.40 3kni h LYS 59 Ca -0.03 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.04 3kni h LYS 59 Cb 1.27 0.00 -0.32 0.00 0.08 0.00 0.00 32.23 33.25 3kni h LYS 59 CO 0.12 0.00 0.42 1.28 -0.57 0.00 0.00 179.45 180.70 3kni n LEU 60 N -2.48 6.41 0.00 2.94 4.77 -1.07 -0.66 117.00 126.91 3kni n LEU 60 Ca -0.01 -5.25 0.00 0.00 -0.03 0.00 0.00 56.01 50.72 3kni n LEU 60 Cb 0.11 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.30 3kni n LEU 60 CO 0.15 2.05 0.00 0.00 -1.33 0.00 0.00 177.39 178.27 3kni n LEU 61 N -0.32 0.00 -0.06 2.23 -0.00 -0.65 -4.46 117.00 113.75 3kni n LEU 61 Ca 0.45 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.45 3kni n LEU 61 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 3kni n LEU 61 CO 0.45 0.00 0.08 0.18 -0.00 0.00 0.00 177.39 178.10 3kni n LEU 62 N 0.00 -0.11 -4.92 1.47 4.77 -1.26 -4.40 117.00 112.55 3kni n LEU 62 Ca 0.00 0.26 -0.28 0.00 -0.03 0.00 0.00 56.01 55.95 3kni n LEU 62 Cb 0.00 -0.05 0.11 0.00 -2.33 0.00 0.00 43.42 41.15 3kni n LEU 62 CO 0.00 -0.23 0.77 -2.16 -1.33 0.00 0.00 177.39 174.45 3kni s PRO 63 N -5.12 1.66 0.39 3.23 0.04 -1.26 -4.95 135.00 128.98 3kni s PRO 63 Ca -0.02 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 60.90 3kni s PRO 63 Cb 0.03 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3kni s PRO 63 CO 0.10 -1.74 0.00 0.66 0.04 0.00 0.00 177.00 176.06 3kni n TYR 64 N -3.35 -3.62 0.00 0.56 4.02 -1.26 -4.95 117.16 108.56 3kni n TYR 64 Ca 0.10 1.84 0.00 0.00 -0.01 0.00 0.00 57.90 59.83 3kni n TYR 64 Cb 0.60 -3.29 0.00 0.00 -0.02 0.00 0.00 39.34 36.64 3kni n TYR 64 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94