#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h n LYS 3 N 0.00 -1.20 -2.39 0.54 4.81 -1.26 -4.97 118.16 113.69 3f1h n LYS 3 Ca 0.00 1.26 -0.36 0.00 -0.87 0.00 0.00 58.31 58.34 3f1h n LYS 3 Cb 0.00 -1.65 -0.02 0.00 0.02 0.00 0.00 35.03 33.38 3f1h n LYS 3 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 3f1h s MET 4 N -1.44 3.82 -0.22 1.64 -1.94 -1.26 -5.01 119.30 114.89 3f1h s MET 4 Ca -0.02 1.60 -0.11 0.00 -1.71 0.00 0.00 55.69 55.45 3f1h s MET 4 Cb 0.00 -2.32 -0.05 0.00 2.01 0.00 0.00 34.83 34.47 3f1h s MET 4 CO 0.06 -0.46 0.16 0.15 -0.01 0.00 0.00 175.02 174.92 3f1h s LYS 5 N -2.84 4.13 0.15 2.03 1.02 -1.26 -4.96 119.74 118.02 3f1h s LYS 5 Ca 0.64 -0.22 -0.31 0.00 0.02 0.00 0.00 55.97 56.10 3f1h s LYS 5 Cb -0.24 -3.48 -0.11 0.00 -0.52 0.00 0.00 37.83 33.48 3f1h s LYS 5 CO 0.29 0.17 1.81 0.95 -0.92 0.00 0.00 175.35 177.65 3f1h s THR 6 N 0.73 2.37 -1.00 2.17 -4.23 -1.26 -4.82 115.64 109.59 3f1h s THR 6 Ca 0.08 0.02 -0.24 0.00 -1.18 0.00 0.00 61.69 60.37 3f1h s THR 6 Cb -0.12 -3.01 -0.08 0.00 1.34 0.00 0.00 72.50 70.63 3f1h s THR 6 CO 0.02 0.00 1.99 -2.28 -0.54 0.00 0.00 174.62 173.81 3f1h s HIS 7 N 2.32 1.77 0.45 3.99 2.46 -0.33 -4.78 115.29 121.17 3f1h s HIS 7 Ca 0.80 0.79 0.26 0.00 0.47 0.00 0.00 55.06 57.38 3f1h s HIS 7 Cb -0.47 -3.93 1.29 0.00 -0.13 0.00 0.00 32.58 29.34 3f1h s HIS 7 CO 0.35 -1.48 1.76 0.87 -2.47 0.00 0.00 174.74 173.78 3f1h h LYS 8 N 10.88 0.22 0.00 2.88 1.79 -1.89 0.45 116.57 130.91 3f1h h LYS 8 Ca 0.13 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.55 3f1h h LYS 8 Cb 0.98 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.58 3f1h h LYS 8 CO 1.19 0.15 -0.13 0.78 -1.08 0.00 0.00 179.45 180.35 3f1h h GLY 9 N 0.23 0.00 0.00 3.86 0.00 -1.99 -2.58 103.07 102.59 3f1h h GLY 9 Ca 0.62 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.95 3f1h h GLY 9 CO -0.22 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.27 3f1h h ALA 10 N 1.87 0.00 -0.17 3.60 0.00 -0.49 -3.33 119.26 120.73 3f1h h ALA 10 Ca -0.00 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3f1h h ALA 10 Cb 0.25 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3f1h h ALA 10 CO 0.02 0.05 0.40 -0.22 0.00 0.00 0.00 179.25 179.49 3f1h h LYS 11 N -1.00 0.00 0.00 0.00 3.64 -1.50 0.63 116.57 118.34 3f1h h LYS 11 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3f1h h LYS 11 Cb 0.11 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 3f1h h LYS 11 CO -0.00 0.00 0.00 1.63 -2.27 0.00 0.00 179.45 178.81 3f1h n LYS 12 N -3.22 0.56 0.00 1.90 5.02 -0.97 -3.79 118.16 117.66 3f1h n LYS 12 Ca 0.02 0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3f1h n LYS 12 Cb 0.50 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 34.01 3f1h n LYS 12 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 3f1h n ARG 13 N -1.12 0.00 -3.94 1.97 1.85 0.22 -5.11 116.66 110.53 3f1h n ARG 13 Ca 0.15 -0.16 -0.10 0.00 -1.00 0.00 0.00 57.85 56.74 3f1h n ARG 13 Cb 0.12 -0.38 -0.10 0.00 -1.05 0.00 0.00 32.46 31.05 3f1h n ARG 13 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3f1h s VAL 14 N 0.00 0.10 0.00 8.89 1.01 -0.91 -4.41 120.40 125.09 3f1h s VAL 14 Ca 0.00 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.17 3f1h s VAL 14 Cb 0.00 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.96 3f1h s VAL 14 CO 0.00 -0.47 -0.16 -0.75 0.00 0.00 0.00 175.10 173.72 3f1h s LYS 15 N -1.58 1.20 -0.33 2.72 2.47 -0.30 -4.69 119.74 119.23 3f1h s LYS 15 Ca -0.14 -0.64 -0.12 0.00 -1.56 0.00 0.00 55.97 53.51 3f1h s LYS 15 Cb -0.08 -1.19 -0.02 0.00 -1.46 0.00 0.00 37.83 35.08 3f1h s LYS 15 CO -0.00 0.32 0.22 -1.50 0.16 0.00 0.00 175.35 174.55 3f1h s ILE 16 N -0.51 5.21 0.45 5.43 2.07 -1.26 -0.37 121.20 132.22 3f1h s ILE 16 Ca 0.05 -0.18 -0.23 0.00 -1.41 0.00 0.00 60.65 58.88 3f1h s ILE 16 Cb -0.07 -3.64 -0.07 0.00 0.13 0.00 0.00 42.46 38.81 3f1h s ILE 16 CO 0.00 0.04 1.18 0.42 -1.91 0.00 0.00 174.94 174.67 3f1h s THR 17 N 1.72 3.04 0.54 4.00 -4.23 0.30 -4.90 115.64 116.10 3f1h s THR 17 Ca 0.06 0.80 0.32 0.00 -1.18 0.00 0.00 61.69 61.69 3f1h s THR 17 Cb -0.17 -3.41 0.49 0.00 1.34 0.00 0.00 72.50 70.74 3f1h s THR 17 CO 0.10 0.01 1.89 0.00 -0.54 0.00 0.00 174.62 176.07 3f1h h ALA 18 N 2.12 2.85 -0.09 3.99 0.00 -1.97 0.47 119.26 126.62 3f1h h ALA 18 Ca -0.49 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.16 3f1h h ALA 18 Cb 1.25 0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.11 3f1h h ALA 18 CO 0.60 -1.11 -0.83 0.66 0.00 0.00 0.00 179.25 178.58 3f1h h SER 19 N 0.01 0.78 0.00 0.00 4.64 -2.04 -3.47 113.55 113.47 3f1h h SER 19 Ca 0.43 -0.54 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3f1h h SER 19 Cb 1.72 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 3f1h h SER 19 CO -0.01 1.33 0.00 0.61 -0.87 0.00 0.00 176.83 177.89 3f1h n GLY 20 N 0.76 -0.92 3.92 -0.77 0.00 0.16 -5.15 105.19 103.19 3f1h n GLY 20 Ca -0.07 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 3f1h n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f1h s LYS 21 N 0.00 3.09 -0.26 1.61 1.02 -1.21 -4.79 119.74 119.19 3f1h s LYS 21 Ca 0.00 -0.06 -0.06 0.00 0.02 0.00 0.00 55.97 55.87 3f1h s LYS 21 Cb 0.00 -2.35 -0.00 0.00 -0.52 0.00 0.00 37.83 34.95 3f1h s LYS 21 CO 0.00 -0.50 0.04 0.08 -0.92 0.00 0.00 175.35 174.05 3f1h s VAL 22 N -2.84 3.82 -0.09 3.17 1.01 -1.26 0.11 120.40 124.31 3f1h s VAL 22 Ca 0.51 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3f1h s VAL 22 Cb -0.10 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.36 3f1h s VAL 22 CO 0.44 0.23 0.11 -0.69 0.00 0.00 0.00 175.10 175.18 3f1h s VAL 23 N 1.51 5.19 0.06 2.92 1.01 0.50 -3.55 120.40 128.04 3f1h s VAL 23 Ca 0.04 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 3f1h s VAL 23 Cb -0.16 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.96 3f1h s VAL 23 CO 0.01 0.57 0.23 0.00 0.00 0.00 0.00 175.10 175.91 3f1h s ALA 24 N -1.04 -0.43 1.09 5.51 0.00 -0.96 -1.15 121.76 124.77 3f1h s ALA 24 Ca 0.16 -0.32 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 3f1h s ALA 24 Cb -0.12 0.40 0.24 0.00 0.00 0.00 0.00 23.12 23.64 3f1h s ALA 24 CO 0.06 -0.45 1.06 -1.64 0.00 0.00 0.00 175.76 174.79 3f1h s MET 25 N -3.13 -0.28 0.01 0.00 -1.94 -1.26 -0.78 119.30 111.92 3f1h s MET 25 Ca -0.01 0.64 -0.15 0.00 -1.71 0.00 0.00 55.69 54.46 3f1h s MET 25 Cb 0.01 -1.64 -0.06 0.00 2.01 0.00 0.00 34.83 35.15 3f1h s MET 25 CO -0.07 -3.24 0.43 0.15 -0.01 0.00 0.00 175.02 172.28 3f1h s LYS 26 N -4.73 3.96 0.67 2.03 -0.14 -1.22 -4.67 119.74 115.63 3f1h s LYS 26 Ca 0.67 0.45 -0.09 0.00 -1.36 0.00 0.00 55.97 55.64 3f1h s LYS 26 Cb -0.22 -3.23 0.02 0.00 -1.68 0.00 0.00 37.83 32.73 3f1h s LYS 26 CO 0.61 0.68 1.02 0.95 -0.76 0.00 0.00 175.35 177.84 3f1h s THR 27 N -1.05 3.24 0.00 2.17 -4.23 -1.26 -4.59 115.64 109.93 3f1h s THR 27 Ca 0.24 0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 3f1h s THR 27 Cb -0.17 -3.36 0.00 0.00 1.34 0.00 0.00 72.50 70.31 3f1h s THR 27 CO 0.14 -0.42 0.00 0.61 -0.54 0.00 0.00 174.62 174.41 3f1h n GLY 28 N -2.87 0.82 2.45 3.99 0.00 -1.26 -4.96 105.19 103.36 3f1h n GLY 28 Ca 0.06 -0.65 -0.18 0.00 0.00 0.00 0.00 46.02 45.26 3f1h n GLY 28 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3f1h n LYS 29 N -0.99 0.59 0.00 1.61 4.81 -1.26 -4.87 118.16 118.04 3f1h n LYS 29 Ca 0.00 -2.67 0.00 0.00 -0.87 0.00 0.00 58.31 54.77 3f1h n LYS 29 Cb 0.36 -1.41 0.00 0.00 0.02 0.00 0.00 35.03 34.00 3f1h n LYS 29 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 3f1h n ARG 30 N 1.98 0.00 0.00 1.64 3.00 -1.26 -5.06 116.66 116.96 3f1h n ARG 30 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.04 3f1h n ARG 30 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 3f1h n ARG 30 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 3f1h n HIS 31 N 0.00 -1.14 -0.51 -0.14 -0.00 -1.26 -4.91 115.22 107.26 3f1h n HIS 31 Ca 0.00 0.00 0.42 0.00 0.46 0.00 0.00 57.72 58.60 3f1h n HIS 31 Cb 0.18 0.23 0.71 0.00 -0.12 0.00 0.00 29.99 30.98 3f1h n HIS 31 CO 0.00 0.00 0.00 1.37 0.46 0.00 0.00 176.34 178.17 3f1h h LEU 32 N 0.00 0.16 -9.53 0.27 -0.00 -1.97 -3.40 115.31 100.83 3f1h h LEU 32 Ca 0.00 0.10 -0.58 0.00 -0.00 0.00 0.00 57.88 57.40 3f1h h LEU 32 Cb 0.00 0.10 0.17 0.00 -0.00 0.00 0.00 40.66 40.92 3f1h h LEU 32 CO 0.00 -0.14 -0.31 -3.20 -0.00 0.00 0.00 178.44 174.78 3f1h n ASN 33 N -4.48 -0.73 0.00 0.17 5.15 -1.26 -4.77 115.26 109.34 3f1h n ASN 33 Ca 0.39 0.77 0.00 0.00 -0.60 0.00 0.00 54.58 55.14 3f1h n ASN 33 Cb 1.61 -1.20 0.00 0.00 -0.53 0.00 0.00 39.78 39.66 3f1h n ASN 33 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 3f1h n TRP 34 N -1.57 0.00 0.00 1.20 4.27 -1.26 -4.97 117.44 115.11 3f1h n TRP 34 Ca 0.12 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.73 3f1h n TRP 34 Cb 0.46 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.41 3f1h n TRP 34 CO 0.00 0.00 0.00 0.94 -2.29 0.00 0.00 177.69 176.34 3f1h n GLN 35 N -0.06 0.00 -4.06 -2.67 7.27 -1.26 -5.17 117.38 111.43 3f1h n GLN 35 Ca 0.00 0.00 -0.23 0.00 0.07 0.00 0.00 57.00 56.84 3f1h n GLN 35 Cb 0.00 0.00 -0.04 0.00 2.41 0.00 0.00 30.24 32.61 3f1h n GLN 35 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 3f1h s LYS 36 N 0.00 3.07 1.05 3.69 1.02 -1.26 -5.09 119.74 122.22 3f1h s LYS 36 Ca 0.00 -0.92 -0.15 0.00 0.02 0.00 0.00 55.97 54.91 3f1h s LYS 36 Cb 0.00 -2.68 0.09 0.00 -0.52 0.00 0.00 37.83 34.72 3f1h s LYS 36 CO 0.00 0.43 0.28 -1.13 -0.92 0.00 0.00 175.35 174.01 3f1h n SER 37 N -1.03 -2.12 -0.15 2.83 3.41 -1.26 -4.78 113.62 110.51 3f1h n SER 37 Ca -0.08 0.08 -0.09 0.00 -0.26 0.00 0.00 58.87 58.52 3f1h n SER 37 Cb 0.57 -1.10 0.05 0.00 -0.26 0.00 0.00 64.21 63.47 3f1h n SER 37 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3f1h h GLY 38 N -1.90 1.01 0.72 5.00 0.00 -2.00 -3.00 103.07 102.91 3f1h h GLY 38 Ca -0.50 -0.81 0.06 0.00 0.00 0.00 0.00 47.33 46.08 3f1h h GLY 38 CO 0.37 0.74 0.44 1.70 0.00 0.00 0.00 176.54 179.80 3f1h h LYS 39 N 0.83 0.79 0.00 4.80 3.64 -1.99 -1.02 116.57 123.62 3f1h h LYS 39 Ca 0.13 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3f1h h LYS 39 Cb 0.66 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3f1h h LYS 39 CO 0.05 0.52 0.00 0.39 -2.27 0.00 0.00 179.45 178.14 3f1h n GLU 40 N -4.71 0.00 -0.34 1.90 -0.58 -1.15 -2.01 120.64 113.75 3f1h n GLU 40 Ca 0.10 0.25 0.22 0.00 -0.42 0.00 0.00 57.16 57.31 3f1h n GLU 40 Cb 0.16 -1.15 0.47 0.00 -0.57 0.00 0.00 31.44 30.35 3f1h n GLU 40 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 3f1h h ILE 41 N 0.00 0.48 0.40 -3.67 -0.00 -1.48 0.42 117.51 113.66 3f1h h ILE 41 Ca 0.00 -0.15 -0.02 0.00 -0.00 0.00 0.00 64.86 64.69 3f1h h ILE 41 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.82 36.82 3f1h h ILE 41 CO 0.00 0.08 -0.22 0.03 -0.00 0.00 0.00 178.15 178.04 3f1h h ARG 42 N 0.44 -0.55 0.00 0.16 3.08 -1.16 -2.11 114.38 114.23 3f1h h ARG 42 Ca 0.64 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.73 3f1h h ARG 42 Cb 1.49 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.66 3f1h h ARG 42 CO -0.41 -0.37 0.00 1.04 -1.07 0.00 0.00 179.97 179.17 3f1h n GLN 43 N -5.35 0.17 0.00 0.04 6.02 0.04 -1.24 117.38 117.06 3f1h n GLN 43 Ca -0.11 0.41 0.13 0.00 -0.01 0.00 0.00 57.00 57.42 3f1h n GLN 43 Cb 0.25 -1.83 0.47 0.00 1.02 0.00 0.00 30.24 30.16 3f1h n GLN 43 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3f1h n LYS 44 N -2.14 0.10 0.08 -1.09 4.76 -0.60 -3.75 118.16 115.52 3f1h n LYS 44 Ca 0.02 -0.03 -0.10 0.00 -2.87 0.00 0.00 58.31 55.33 3f1h n LYS 44 Cb 0.22 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.82 3f1h n LYS 44 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3f1h h GLY 45 N 5.00 0.14 -0.40 0.72 0.00 -0.77 -3.38 103.07 104.38 3f1h h GLY 45 Ca 0.00 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.83 3f1h h GLY 45 CO 0.00 0.29 -0.02 -0.96 0.00 0.00 0.00 176.54 175.85 3f1h n ARG 46 N -3.49 -2.64 -4.19 4.80 1.85 -1.25 -4.83 116.66 106.91 3f1h n ARG 46 Ca -0.03 -0.70 -0.11 0.00 -1.00 0.00 0.00 57.85 56.01 3f1h n ARG 46 Cb 0.92 -0.77 -0.10 0.00 -1.05 0.00 0.00 32.46 31.46 3f1h n ARG 46 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 3f1h s LYS 47 N -3.99 0.96 0.00 2.89 -2.85 -1.26 -3.46 119.74 112.03 3f1h s LYS 47 Ca 0.30 -1.45 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 3f1h s LYS 47 Cb -0.04 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.69 3f1h s LYS 47 CO 0.24 -0.16 0.00 1.97 0.10 0.00 0.00 175.35 177.50 3f1h n PHE 48 N -0.13 0.00 -4.15 1.78 1.16 0.04 -4.93 117.46 111.23 3f1h n PHE 48 Ca -0.08 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.41 3f1h n PHE 48 Cb 0.63 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.40 3f1h n PHE 48 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 3f1h s VAL 49 N -0.38 0.51 -0.10 1.97 -7.23 -1.26 -2.26 120.40 111.65 3f1h s VAL 49 Ca 0.00 -1.90 -0.00 0.00 -1.81 0.00 0.00 61.98 58.27 3f1h s VAL 49 Cb 0.00 -1.67 -0.06 0.00 0.56 0.00 0.00 36.38 35.21 3f1h s VAL 49 CO 0.00 -0.88 -0.10 0.18 -0.31 0.00 0.00 175.10 174.00 3f1h n LEU 50 N -0.01 2.57 0.00 1.32 4.32 -1.23 -4.99 117.00 118.98 3f1h n LEU 50 Ca -0.12 -0.02 0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3f1h n LEU 50 Cb 0.61 -0.34 0.00 0.00 -1.62 0.00 0.00 43.42 42.07 3f1h n LEU 50 CO 0.30 0.58 0.00 0.00 -1.22 0.00 0.00 177.39 177.05 3f1h n ALA 51 N -2.92 0.00 -0.08 -1.18 0.00 -1.26 -4.65 120.51 110.42 3f1h n ALA 51 Ca -0.18 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 3f1h n ALA 51 Cb 0.68 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.04 3f1h n ALA 51 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3f1h h LYS 52 N 0.00 0.00 -0.79 0.00 6.56 -2.01 -3.23 116.57 117.10 3f1h h LYS 52 Ca 0.00 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.82 3f1h h LYS 52 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 3f1h h LYS 52 CO 0.00 0.68 0.64 -1.35 -2.06 0.00 0.00 179.45 177.37 3f1h h PRO 53 N -1.00 0.00 -0.68 3.15 0.11 -2.00 0.27 132.00 131.84 3f1h h PRO 53 Ca -0.16 0.00 0.11 0.00 0.11 0.00 0.00 66.00 66.06 3f1h h PRO 53 Cb 0.92 0.00 -0.12 0.00 0.11 0.00 0.00 31.00 31.91 3f1h h PRO 53 CO -0.09 0.00 -0.37 0.93 -0.21 0.00 0.00 178.00 178.25 3f1h h GLU 54 N 0.00 -0.13 0.00 1.05 5.08 -1.82 0.39 114.58 119.15 3f1h h GLU 54 Ca 0.38 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 3f1h h GLU 54 Cb 1.66 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.94 3f1h h GLU 54 CO -0.00 -0.09 -0.01 0.00 -1.00 0.00 0.00 179.01 177.91 3f1h h ALA 55 N 0.98 1.02 0.24 3.43 0.00 -0.55 -2.50 119.26 121.89 3f1h h ALA 55 Ca 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3f1h h ALA 55 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3f1h h ALA 55 CO -0.75 0.01 -0.12 0.93 0.00 0.00 0.00 179.25 179.32 3f1h h GLU 56 N 0.00 -0.32 -0.58 0.00 5.08 -0.03 -3.33 114.58 115.40 3f1h h GLU 56 Ca -0.00 0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 3f1h h GLU 56 Cb 0.26 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 3f1h h GLU 56 CO 0.00 0.04 -0.01 0.00 -1.00 0.00 0.00 179.01 178.04 3f1h h ARG 57 N -0.77 1.01 -1.00 2.33 3.08 -1.09 -2.86 114.38 115.08 3f1h h ARG 57 Ca -0.03 -0.32 0.35 0.00 0.07 0.00 0.00 59.98 60.04 3f1h h ARG 57 Cb 0.50 -0.09 -0.16 0.00 0.08 0.00 0.00 29.97 30.30 3f1h h ARG 57 CO 0.06 1.00 0.56 0.82 -1.07 0.00 0.00 179.97 181.33 3f1h h ILE 58 N 0.93 0.22 0.00 2.04 1.08 -1.57 1.03 117.51 121.25 3f1h h ILE 58 Ca 0.16 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.55 3f1h h ILE 58 Cb 0.56 -0.04 -0.00 0.00 -3.07 0.00 0.00 36.82 34.27 3f1h h ILE 58 CO 0.03 0.04 -0.01 0.11 -0.69 0.00 0.00 178.15 177.64 3f1h h LYS 59 N 0.24 0.00 -0.01 2.37 1.79 -1.61 -2.95 116.57 116.40 3f1h h LYS 59 Ca 0.76 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.23 3f1h h LYS 59 Cb 1.82 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 3f1h h LYS 59 CO -0.65 0.01 -0.09 1.28 -1.08 0.00 0.00 179.45 178.91 3f1h n LEU 60 N -3.10 0.85 0.00 2.94 4.77 0.36 -4.64 117.00 118.18 3f1h n LEU 60 Ca 0.01 -0.21 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 3f1h n LEU 60 Cb 0.34 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3f1h n LEU 60 CO 0.28 0.15 0.00 0.18 -1.33 0.00 0.00 177.39 176.67 3f1h n LEU 61 N -0.54 0.00 0.00 2.23 4.77 -1.12 -1.18 117.00 121.16 3f1h n LEU 61 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3f1h n LEU 61 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3f1h n LEU 61 CO 0.21 0.00 0.00 0.18 -1.33 0.00 0.00 177.39 176.45 3f1h n LEU 62 N 0.00 0.00 0.30 2.23 4.77 -1.22 -4.01 117.00 119.07 3f1h n LEU 62 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.11 3f1h n LEU 62 Cb 0.00 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 41.81 3f1h n LEU 62 CO 0.00 0.00 1.06 -0.65 -1.33 0.00 0.00 177.39 176.47 3f1h h PRO 63 N 0.00 0.00 -0.02 3.23 0.11 -1.94 -3.53 132.00 129.84 3f1h h PRO 63 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3f1h h PRO 63 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3f1h h PRO 63 CO 0.00 0.00 0.00 0.98 -0.21 0.00 0.00 178.00 178.77