#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h ILE 5 N 0.00 1.00 0.45 3.15 -2.65 -1.99 -3.30 117.51 114.17 3f9k h ILE 5 Ca 0.00 -2.17 -0.02 0.00 1.03 0.00 0.00 64.86 63.69 3f9k h ILE 5 Cb 0.00 2.33 0.00 0.00 -2.05 0.00 0.00 36.82 37.10 3f9k h ILE 5 CO 0.00 0.52 -0.22 -0.33 0.03 0.00 0.00 178.15 178.16 3f9k h GLU 6 N 0.00 -0.58 -0.77 0.16 4.39 -2.03 0.15 114.58 115.89 3f9k h GLU 6 Ca -0.01 0.04 0.15 0.00 0.34 0.00 0.00 59.36 59.89 3f9k h GLU 6 Cb 1.29 0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 30.02 3f9k h GLU 6 CO 0.07 -0.33 0.52 -1.35 -1.16 0.00 0.00 179.01 176.76 3f9k h PRO 7 N -0.73 0.41 0.03 2.33 0.11 -2.00 -1.29 132.00 130.86 3f9k h PRO 7 Ca -0.06 -0.02 -0.26 0.00 0.11 0.00 0.00 66.00 65.76 3f9k h PRO 7 Cb 0.52 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 31.57 3f9k h PRO 7 CO 0.10 0.27 -1.05 0.00 -0.21 0.00 0.00 178.00 177.11 3f9k h ALA 8 N 1.64 0.09 -0.67 -0.75 0.00 -1.57 -1.78 119.26 116.21 3f9k h ALA 8 Ca 0.38 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 3f9k h ALA 8 Cb 0.88 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 3f9k h ALA 8 CO -0.13 0.65 0.38 0.37 0.00 0.00 0.00 179.25 180.53 3f9k h GLN 9 N 0.32 0.93 -0.14 0.00 4.15 -0.17 -1.58 115.11 118.62 3f9k h GLN 9 Ca -0.14 -0.10 -0.18 0.00 0.77 0.00 0.00 58.65 59.00 3f9k h GLN 9 Cb 1.71 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 29.21 3f9k h GLN 9 CO 0.20 0.69 -0.65 1.05 -1.93 0.00 0.00 178.83 178.19 3f9k h GLU 10 N 0.92 0.52 -0.82 1.69 4.11 -1.29 0.50 114.58 120.20 3f9k h GLU 10 Ca 0.24 -0.38 0.06 0.00 0.07 0.00 0.00 59.36 59.35 3f9k h GLU 10 Cb 0.01 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.27 3f9k h GLU 10 CO -0.04 1.00 0.50 1.49 0.07 0.00 0.00 179.01 182.03 3f9k h GLU 11 N 0.38 0.89 -0.19 1.06 4.57 -1.01 -2.54 114.58 117.73 3f9k h GLU 11 Ca -0.02 -0.05 -0.21 0.00 -1.18 0.00 0.00 59.36 57.91 3f9k h GLU 11 Cb 1.22 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 3f9k h GLU 11 CO 0.12 0.59 -0.69 1.25 -1.18 0.00 0.00 179.01 179.09 3f9k h HIS 12 N 0.91 1.01 -0.27 0.92 2.76 -1.01 -1.52 115.15 117.95 3f9k h HIS 12 Ca 0.36 -0.41 0.08 0.00 -2.20 0.00 0.00 60.37 58.20 3f9k h HIS 12 Cb 0.18 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.96 3f9k h HIS 12 CO -0.04 1.23 0.33 1.49 -1.30 0.00 0.00 177.93 179.64 3f9k h GLU 13 N 0.55 0.00 0.00 5.26 4.81 -0.54 0.32 114.58 124.98 3f9k h GLU 13 Ca -0.03 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.01 3f9k h GLU 13 Cb 1.30 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.66 3f9k h GLU 13 CO 0.14 0.00 -1.44 1.17 -0.73 0.00 0.00 179.01 178.15 3f9k n LYS 14 N -3.65 0.54 -0.00 1.92 4.81 -0.99 -4.73 118.16 116.06 3f9k n LYS 14 Ca 0.04 0.37 0.07 0.00 -0.87 0.00 0.00 58.31 57.91 3f9k n LYS 14 Cb 0.47 -1.57 -0.09 0.00 0.02 0.00 0.00 35.03 33.85 3f9k n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3f9k n TYR 15 N -4.42 0.00 -2.85 5.64 4.01 -0.60 -4.99 117.16 113.95 3f9k n TYR 15 Ca -0.29 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.29 3f9k n TYR 15 Cb 0.62 -0.21 0.03 0.00 -0.31 0.00 0.00 39.34 39.46 3f9k n TYR 15 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3f9k n HIS 16 N -1.77 -1.48 -1.54 -0.72 8.25 0.11 -4.92 115.22 113.16 3f9k n HIS 16 Ca -0.01 0.41 -0.58 0.00 -0.26 0.00 0.00 57.72 57.28 3f9k n HIS 16 Cb 0.30 -3.55 -0.08 0.00 1.12 0.00 0.00 29.99 27.79 3f9k n HIS 16 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3f9k n SER 17 N -1.33 0.45 -3.87 0.41 7.64 -1.26 -4.94 113.62 110.72 3f9k n SER 17 Ca -0.07 1.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.66 3f9k n SER 17 Cb 0.58 -0.98 0.24 0.00 -1.01 0.00 0.00 64.21 63.05 3f9k n SER 17 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3f9k s ASN 18 N 0.34 0.69 0.09 6.43 2.20 -0.98 -4.65 114.94 119.05 3f9k s ASN 18 Ca 0.91 0.78 -0.30 0.00 -0.94 0.00 0.00 52.86 53.31 3f9k s ASN 18 Cb -1.21 -1.13 -0.15 0.00 -2.00 0.00 0.00 41.25 36.76 3f9k s ASN 18 CO 0.56 -4.28 1.64 0.58 -2.94 0.00 0.00 177.10 172.66 3f9k h VAL 19 N -2.69 0.43 -0.70 3.54 2.07 -1.91 -1.39 116.25 115.60 3f9k h VAL 19 Ca -0.47 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.08 3f9k h VAL 19 Cb 1.31 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3f9k h VAL 19 CO 0.37 0.00 0.46 0.11 0.02 0.00 0.00 177.57 178.53 3f9k h LYS 20 N -0.67 0.85 0.21 1.57 1.57 -1.93 0.05 116.57 118.21 3f9k h LYS 20 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3f9k h LYS 20 Cb 0.56 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3f9k h LYS 20 CO 0.03 0.56 -0.10 1.49 -0.57 0.00 0.00 179.45 180.86 3f9k h GLU 21 N 0.88 -0.27 -0.33 3.15 4.57 -1.73 -1.06 114.58 119.78 3f9k h GLU 21 Ca 0.27 0.02 0.07 0.00 -1.18 0.00 0.00 59.36 58.54 3f9k h GLU 21 Cb 0.01 0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 28.59 3f9k h GLU 21 CO -0.07 0.04 -0.10 -0.07 -1.18 0.00 0.00 179.01 177.63 3f9k h LEU 22 N -0.60 -0.36 -0.41 1.64 3.38 -0.88 0.27 115.31 118.36 3f9k h LEU 22 Ca -0.03 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3f9k h LEU 22 Cb 0.44 0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 3f9k h LEU 22 CO 0.05 -0.13 0.16 -1.28 0.09 0.00 0.00 178.44 177.33 3f9k h SER 23 N -0.02 0.19 0.11 -0.43 0.87 -1.01 -1.61 113.55 111.65 3f9k h SER 23 Ca 0.16 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.76 3f9k h SER 23 Cb 0.27 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 3f9k h SER 23 CO -0.36 0.15 -0.05 -0.74 -0.53 0.00 0.00 176.83 175.30 3f9k h HIS 24 N 0.33 -0.13 -0.88 2.24 -0.00 -0.68 -1.45 115.15 114.59 3f9k h HIS 24 Ca 0.18 -0.00 0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3f9k h HIS 24 Cb 0.15 0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.56 3f9k h HIS 24 CO -0.13 0.28 0.57 -0.22 -0.00 0.00 0.00 177.93 178.43 3f9k h LYS 25 N -0.59 1.16 -0.23 5.26 1.63 -0.39 -3.18 116.57 120.23 3f9k h LYS 25 Ca -0.01 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.71 3f9k h LYS 25 Cb 0.47 -0.26 0.00 0.00 -0.60 0.00 0.00 32.23 31.84 3f9k h LYS 25 CO 0.02 0.78 0.00 1.19 -3.45 0.00 0.00 179.45 177.99 3f9k n PHE 26 N -4.46 0.29 -1.48 1.91 3.72 -0.61 -4.97 117.46 111.86 3f9k n PHE 26 Ca 0.09 -0.24 -0.17 0.00 -0.05 0.00 0.00 57.45 57.08 3f9k n PHE 26 Cb 0.02 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 3f9k n PHE 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3f9k n GLY 27 N 0.81 1.60 3.78 1.37 0.00 -0.55 -4.95 105.19 107.25 3f9k n GLY 27 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 3f9k n GLY 27 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3f9k s ILE 28 N -2.41 4.25 0.73 -0.61 2.07 -1.17 -5.03 121.20 119.03 3f9k s ILE 28 Ca 0.00 1.77 -0.16 0.00 -1.41 0.00 0.00 60.65 60.85 3f9k s ILE 28 Cb 0.00 -4.01 0.01 0.00 0.13 0.00 0.00 42.46 38.59 3f9k s ILE 28 CO 0.00 0.18 0.97 -2.65 -1.91 0.00 0.00 174.94 171.52 3f9k n PRO 29 N 0.65 0.49 -0.18 3.50 -0.02 -1.26 -4.51 135.00 133.67 3f9k n PRO 29 Ca 0.01 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.78 3f9k n PRO 29 Cb 0.50 -2.22 0.36 0.00 -0.02 0.00 0.00 33.50 32.11 3f9k n PRO 29 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 3f9k h ASN 30 N -0.28 0.65 -0.23 2.55 -1.24 -1.95 -2.47 115.58 112.60 3f9k h ASN 30 Ca -0.47 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 56.51 3f9k h ASN 30 Cb 1.33 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 40.24 3f9k h ASN 30 CO 0.47 0.42 0.02 0.25 -1.29 0.00 0.00 177.43 177.30 3f9k h LEU 31 N 0.74 0.39 -1.15 0.34 5.85 -1.99 -1.51 115.31 117.97 3f9k h LEU 31 Ca 0.31 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3f9k h LEU 31 Cb 0.27 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.14 3f9k h LEU 31 CO -0.10 0.58 0.58 0.58 -0.34 0.00 0.00 178.44 179.73 3f9k h VAL 32 N 0.18 1.13 -0.07 1.05 2.07 -1.81 0.12 116.25 118.92 3f9k h VAL 32 Ca 0.07 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3f9k h VAL 32 Cb 0.37 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3f9k h VAL 32 CO 0.01 0.20 0.03 0.00 0.02 0.00 0.00 177.57 177.82 3f9k h ALA 33 N 1.49 0.09 -0.52 1.67 0.00 -1.31 -2.08 119.26 118.59 3f9k h ALA 33 Ca 0.36 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3f9k h ALA 33 Cb 0.07 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3f9k h ALA 33 CO -0.11 -0.34 0.35 -0.09 0.00 0.00 0.00 179.25 179.05 3f9k h ARG 34 N -0.03 0.67 -0.59 0.00 2.43 -0.30 -2.26 114.38 114.30 3f9k h ARG 34 Ca 0.02 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 3f9k h ARG 34 Cb 0.14 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.52 3f9k h ARG 34 CO -0.00 0.44 -0.04 1.96 -1.51 0.00 0.00 179.97 180.82 3f9k h GLN 35 N 0.69 1.06 -0.28 0.20 4.20 -0.56 -1.24 115.11 119.18 3f9k h GLN 35 Ca 0.19 -0.36 0.02 0.00 0.06 0.00 0.00 58.65 58.56 3f9k h GLN 35 Cb -0.06 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 3f9k h GLN 35 CO -0.04 1.06 0.15 0.82 -0.67 0.00 0.00 178.83 180.15 3f9k h ILE 36 N 0.96 1.01 -0.27 2.54 2.04 -0.81 -2.18 117.51 120.80 3f9k h ILE 36 Ca 0.16 -0.11 -0.10 0.00 1.00 0.00 0.00 64.86 65.81 3f9k h ILE 36 Cb 0.61 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 3f9k h ILE 36 CO 0.04 0.06 -0.26 0.58 0.00 0.00 0.00 178.15 178.57 3f9k h VAL 37 N 0.31 1.27 -0.24 1.67 2.07 -1.36 -2.37 116.25 117.60 3f9k h VAL 37 Ca 0.11 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 3f9k h VAL 37 Cb 0.02 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3f9k h VAL 37 CO -0.07 0.42 0.09 0.78 0.02 0.00 0.00 177.57 178.80 3f9k h ASN 38 N 0.47 0.30 0.36 0.57 2.35 -0.96 -1.96 115.58 116.70 3f9k h ASN 38 Ca 0.07 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3f9k h ASN 38 Cb 0.70 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.99 3f9k h ASN 38 CO 0.05 0.29 -0.09 -1.20 -1.65 0.00 0.00 177.43 174.83 3f9k n SER 39 N -4.43 0.41 -4.61 5.81 7.64 -0.84 -4.81 113.62 112.79 3f9k n SER 39 Ca 0.01 -0.57 -0.41 0.00 1.01 0.00 0.00 58.87 58.91 3f9k n SER 39 Cb 0.13 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.18 3f9k n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3f9k h ALA 41 N 8.10 -0.12 -0.34 0.00 0.00 -1.87 -3.19 119.26 121.84 3f9k h ALA 41 Ca -0.26 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 3f9k h ALA 41 Cb 1.12 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3f9k h ALA 41 CO 0.80 -0.59 0.00 1.96 0.00 0.00 0.00 179.25 181.42 3f9k h GLN 42 N -0.17 0.52 0.00 0.00 7.50 -1.93 -2.74 115.11 118.30 3f9k h GLN 42 Ca 0.02 -0.11 0.00 0.00 0.50 0.00 0.00 58.65 59.06 3f9k h GLN 42 Cb 0.19 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.64 3f9k h GLN 42 CO -0.06 0.55 0.00 0.00 -1.50 0.00 0.00 178.83 177.82 3f9k s GLN 44 N -3.17 4.14 -1.47 0.00 1.11 -1.03 -3.28 119.66 115.95 3f9k s GLN 44 Ca 0.08 2.26 -0.11 0.00 0.01 0.00 0.00 55.36 57.59 3f9k s GLN 44 Cb 0.11 -2.92 0.06 0.00 -1.01 0.00 0.00 33.01 29.25 3f9k s GLN 44 CO 0.47 -0.38 1.00 1.04 0.01 0.00 0.00 175.29 177.43 3f9k n GLN 45 N 0.45 -6.20 -4.22 2.91 6.02 -1.26 -5.01 117.38 110.08 3f9k n GLN 45 Ca 0.02 0.69 -0.16 0.00 -0.01 0.00 0.00 57.00 57.53 3f9k n GLN 45 Cb 0.42 -5.63 -0.14 0.00 1.02 0.00 0.00 30.24 25.91 3f9k n GLN 45 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3f9k s LYS 46 N -6.43 0.54 0.46 -1.09 1.02 -1.21 -5.16 119.74 107.87 3f9k s LYS 46 Ca 0.61 -0.30 -0.03 0.00 0.02 0.00 0.00 55.97 56.26 3f9k s LYS 46 Cb -0.29 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 3f9k s LYS 46 CO 0.75 0.13 0.73 0.20 -0.92 0.00 0.00 175.35 176.24 3f9k s GLY 47 N -0.32 1.47 0.56 -3.33 0.00 -1.26 -5.08 107.32 99.36 3f9k s GLY 47 Ca 0.01 -0.66 -0.16 0.00 0.00 0.00 0.00 44.72 43.91 3f9k s GLY 47 CO -0.00 -0.51 1.03 -0.54 0.00 0.00 0.00 173.10 173.08 3f9k s GLU 48 N -4.65 3.57 0.95 2.90 0.41 -1.26 -5.06 118.70 115.55 3f9k s GLU 48 Ca 0.46 1.10 -0.14 0.00 -0.41 0.00 0.00 54.97 55.99 3f9k s GLU 48 Cb -0.10 -2.07 0.21 0.00 -1.78 0.00 0.00 34.13 30.39 3f9k s GLU 48 CO 0.42 -0.60 1.29 0.00 -0.49 0.00 0.00 175.26 175.88 3f9k s ALA 49 N -2.52 2.46 0.18 5.21 0.00 -1.26 -5.08 121.76 120.75 3f9k s ALA 49 Ca 0.62 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 51.15 3f9k s ALA 49 Cb -0.14 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 3f9k s ALA 49 CO 0.35 -2.40 0.35 0.96 0.00 0.00 0.00 175.76 175.01 3f9k s ILE 50 N -3.81 5.25 0.00 0.00 -4.36 -1.26 -5.07 121.20 111.95 3f9k s ILE 50 Ca 0.75 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 60.67 3f9k s ILE 50 Cb -0.03 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.95 3f9k s ILE 50 CO 0.52 -0.14 0.00 1.41 0.24 0.00 0.00 174.94 176.97 3f9k n HIS 51 N -0.60 0.00 -3.91 1.37 8.25 -1.26 -4.79 115.22 114.27 3f9k n HIS 51 Ca -0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.13 3f9k n HIS 51 Cb 0.54 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.48 3f9k n HIS 51 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3f9k s GLY 52 N -1.66 0.92 -1.28 -1.41 0.00 -1.26 -2.19 107.32 100.44 3f9k s GLY 52 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 44.72 43.88 3f9k s GLY 52 CO 0.00 0.83 1.75 -1.06 0.00 0.00 0.00 173.10 174.61 3f9k n GLN 53 N 4.89 3.40 -0.71 2.90 6.02 -1.24 -4.89 117.38 127.75 3f9k n GLN 53 Ca -0.13 -3.51 -0.13 0.00 -0.01 0.00 0.00 57.00 53.22 3f9k n GLN 53 Cb 0.49 -3.07 -0.09 0.00 1.02 0.00 0.00 30.24 28.60 3f9k n GLN 53 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3f9k n VAL 54 N 4.30 2.20 -0.17 5.09 0.24 -1.25 -1.70 118.33 127.03 3f9k n VAL 54 Ca 0.41 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 3f9k n VAL 54 Cb 0.40 -1.94 0.00 0.00 -1.47 0.00 0.00 33.84 30.83 3f9k n VAL 54 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3f9k n ASN 55 N 3.05 0.00 -4.83 -1.34 4.13 -1.26 -5.09 115.26 109.92 3f9k n ASN 55 Ca 0.35 0.00 -0.31 0.00 1.68 0.00 0.00 54.58 56.29 3f9k n ASN 55 Cb 0.48 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.74 3f9k n ASN 55 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3f9k s ALA 56 N 0.00 2.84 0.50 5.41 0.00 -0.69 -5.05 121.76 124.78 3f9k s ALA 56 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.86 3f9k s ALA 56 Cb 0.00 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 3f9k s ALA 56 CO 0.00 -0.92 1.01 -1.21 0.00 0.00 0.00 175.76 174.64 3f9k s GLU 57 N -4.84 3.84 0.58 0.00 8.01 -1.26 -4.79 118.70 120.23 3f9k s GLU 57 Ca 0.58 1.19 0.28 0.00 0.01 0.00 0.00 54.97 57.03 3f9k s GLU 57 Cb -0.13 -2.11 1.56 0.00 -4.31 0.00 0.00 34.13 29.14 3f9k s GLU 57 CO 0.50 -0.38 2.03 1.25 0.01 0.00 0.00 175.26 178.67 3f9k h LEU 58 N 1.28 0.00 -2.89 1.80 5.85 -1.97 -2.09 115.31 117.29 3f9k h LEU 58 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 3f9k h LEU 58 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 3f9k h LEU 58 CO 0.60 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.31 3f9k n GLY 59 N -1.46 2.52 3.60 3.75 0.00 -1.26 -4.91 105.19 107.43 3f9k n GLY 59 Ca 0.04 -0.81 -0.40 0.00 0.00 0.00 0.00 46.02 44.85 3f9k n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3f9k s THR 60 N -1.57 5.02 0.07 2.61 2.01 -0.79 0.08 115.64 123.08 3f9k s THR 60 Ca 0.49 0.82 0.07 0.00 0.31 0.00 0.00 61.69 63.38 3f9k s THR 60 Cb 0.30 -3.90 -0.03 0.00 0.01 0.00 0.00 72.50 68.88 3f9k s THR 60 CO 0.27 -0.02 -0.19 0.26 -0.69 0.00 0.00 174.62 174.25 3f9k s TRP 61 N 2.41 1.66 0.05 4.92 0.52 -0.03 -2.26 118.94 126.21 3f9k s TRP 61 Ca 0.22 -0.40 0.09 0.00 0.02 0.00 0.00 56.10 56.03 3f9k s TRP 61 Cb -0.15 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.19 3f9k s TRP 61 CO 0.10 0.13 -0.25 -0.65 0.02 0.00 0.00 176.95 176.30 3f9k s GLN 62 N -1.56 1.72 0.01 4.98 -0.21 -0.47 -1.55 119.66 122.58 3f9k s GLN 62 Ca 0.05 -1.08 0.04 0.00 0.02 0.00 0.00 55.36 54.39 3f9k s GLN 62 Cb -0.09 -1.88 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 3f9k s GLN 62 CO 0.03 0.49 -0.11 1.41 -2.12 0.00 0.00 175.29 174.98 3f9k s MET 63 N -1.23 0.81 0.32 2.91 1.75 -1.09 -0.32 119.30 122.45 3f9k s MET 63 Ca 0.11 -0.54 -0.15 0.00 -1.25 0.00 0.00 55.69 53.86 3f9k s MET 63 Cb -0.10 -0.78 0.02 0.00 2.84 0.00 0.00 34.83 36.82 3f9k s MET 63 CO 0.02 0.20 0.65 0.34 -0.65 0.00 0.00 175.02 175.58 3f9k s ASP 64 N -0.70 0.03 -0.04 1.11 2.15 0.11 -4.44 116.67 114.90 3f9k s ASP 64 Ca 0.02 -0.98 0.07 0.00 0.43 0.00 0.00 52.55 52.08 3f9k s ASP 64 Cb -0.06 0.73 -0.01 0.00 -0.30 0.00 0.00 42.92 43.28 3f9k s ASP 64 CO 0.00 -1.41 -0.24 0.00 -0.17 0.00 0.00 175.17 173.35 3f9k s THR 66 N -0.35 1.39 0.06 0.00 -1.32 0.09 -5.00 115.64 110.51 3f9k s THR 66 Ca 0.03 -2.12 0.10 0.00 -1.21 0.00 0.00 61.69 58.48 3f9k s THR 66 Cb -0.12 -1.92 -0.03 0.00 -1.51 0.00 0.00 72.50 68.92 3f9k s THR 66 CO 0.01 -0.69 -0.26 -1.00 -2.21 0.00 0.00 174.62 170.47 3f9k s HIS 67 N -3.18 2.31 -0.20 9.09 3.76 -1.26 -0.38 115.29 125.42 3f9k s HIS 67 Ca 0.19 -0.41 -0.08 0.00 -0.15 0.00 0.00 55.06 54.61 3f9k s HIS 67 Cb 0.01 -1.36 0.09 0.00 1.11 0.00 0.00 32.58 32.43 3f9k s HIS 67 CO 0.03 0.16 0.45 -1.17 -0.85 0.00 0.00 174.74 173.36 3f9k s LEU 68 N -1.38 -0.58 -1.49 0.89 0.20 -0.43 -4.93 118.68 110.97 3f9k s LEU 68 Ca 0.12 1.05 -0.06 0.00 0.69 0.00 0.00 54.13 55.93 3f9k s LEU 68 Cb -0.10 1.49 0.05 0.00 -0.43 0.00 0.00 46.19 47.20 3f9k s LEU 68 CO 0.03 -0.22 0.58 -0.62 -0.29 0.00 0.00 176.35 175.83 3f9k n GLU 69 N 5.08 -3.58 -1.07 1.98 1.02 -1.26 -0.59 120.64 122.22 3f9k n GLU 69 Ca -0.13 0.43 -0.02 0.00 -0.02 0.00 0.00 57.16 57.41 3f9k n GLU 69 Cb 0.51 -4.81 -0.01 0.00 -0.02 0.00 0.00 31.44 27.11 3f9k n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3f9k n GLY 70 N -1.79 0.42 3.73 0.62 0.00 -1.26 -5.00 105.19 101.91 3f9k n GLY 70 Ca -0.18 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3f9k n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3f9k s LYS 71 N -1.56 2.83 -0.29 1.61 3.01 0.24 -5.10 119.74 120.48 3f9k s LYS 71 Ca 0.00 -0.64 -0.14 0.00 -1.01 0.00 0.00 55.97 54.18 3f9k s LYS 71 Cb 0.00 -2.70 -0.03 0.00 -1.01 0.00 0.00 37.83 34.09 3f9k s LYS 71 CO 0.00 0.60 0.33 0.42 0.51 0.00 0.00 175.35 177.21 3f9k s ILE 72 N -1.22 5.20 -0.22 2.17 1.01 -1.26 -1.31 121.20 125.57 3f9k s ILE 72 Ca 0.24 0.33 -0.06 0.00 0.00 0.00 0.00 60.65 61.15 3f9k s ILE 72 Cb -0.12 -3.70 -0.03 0.00 0.01 0.00 0.00 42.46 38.63 3f9k s ILE 72 CO 0.15 0.11 0.03 -0.63 0.00 0.00 0.00 174.94 174.60 3f9k s ILE 73 N 1.99 4.10 -0.05 2.92 1.01 0.49 -0.73 121.20 130.92 3f9k s ILE 73 Ca 0.12 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.38 3f9k s ILE 73 Cb -0.16 -2.88 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3f9k s ILE 73 CO 0.11 0.39 0.35 -0.51 0.00 0.00 0.00 174.94 175.28 3f9k s ILE 74 N 1.26 5.16 -0.03 2.92 2.07 0.47 -0.74 121.20 132.32 3f9k s ILE 74 Ca 0.04 0.69 0.02 0.00 -1.41 0.00 0.00 60.65 60.00 3f9k s ILE 74 Cb -0.15 -3.65 0.00 0.00 0.13 0.00 0.00 42.46 38.80 3f9k s ILE 74 CO 0.02 0.55 -0.08 -0.69 -1.91 0.00 0.00 174.94 172.83 3f9k s VAL 75 N -0.82 0.74 -0.05 4.00 1.01 0.43 -1.80 120.40 123.92 3f9k s VAL 75 Ca 0.21 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3f9k s VAL 75 Cb -0.15 -0.66 0.01 0.00 0.00 0.00 0.00 36.38 35.57 3f9k s VAL 75 CO 0.10 0.23 -0.13 0.00 0.00 0.00 0.00 175.10 175.31 3f9k s ALA 76 N 0.21 1.23 -0.11 5.51 0.00 0.57 -0.71 121.76 128.46 3f9k s ALA 76 Ca -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.49 3f9k s ALA 76 Cb -0.08 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.55 3f9k s ALA 76 CO 0.00 0.17 -0.22 0.08 0.00 0.00 0.00 175.76 175.79 3f9k s VAL 77 N 0.37 2.21 -0.67 0.00 1.01 0.56 -0.90 120.40 122.98 3f9k s VAL 77 Ca -0.09 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 3f9k s VAL 77 Cb -0.13 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.42 3f9k s VAL 77 CO 0.02 0.55 1.28 -2.28 0.00 0.00 0.00 175.10 174.68 3f9k s HIS 78 N 0.42 2.37 0.22 5.22 2.46 0.31 -1.37 115.29 124.92 3f9k s HIS 78 Ca -0.16 0.17 -0.08 0.00 0.47 0.00 0.00 55.06 55.47 3f9k s HIS 78 Cb -0.17 -4.56 0.35 0.00 -0.13 0.00 0.00 32.58 28.07 3f9k s HIS 78 CO 0.07 -1.91 1.72 0.28 -2.47 0.00 0.00 174.74 172.42 3f9k h VAL 79 N 6.13 0.67 0.00 0.89 2.07 -1.76 0.18 116.25 124.42 3f9k h VAL 79 Ca -0.27 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3f9k h VAL 79 Cb 1.06 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.11 3f9k h VAL 79 CO 1.24 0.06 -0.14 0.00 0.02 0.00 0.00 177.57 178.75 3f9k h ALA 80 N 1.49 1.42 0.00 1.67 0.00 -1.78 -3.30 119.26 118.76 3f9k h ALA 80 Ca 0.35 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3f9k h ALA 80 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3f9k h ALA 80 CO -0.39 0.17 -0.97 -1.13 0.00 0.00 0.00 179.25 176.94 3f9k n SER 81 N -3.86 4.84 0.00 0.00 3.41 -0.77 -3.79 113.62 113.45 3f9k n SER 81 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 3f9k n SER 81 Cb 0.24 0.94 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3f9k n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3f9k n GLY 82 N 2.45 0.51 3.74 5.00 0.00 0.55 -4.47 105.19 112.97 3f9k n GLY 82 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.52 3f9k n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3f9k s PHE 83 N -2.00 3.19 0.14 1.61 5.36 -1.24 -4.85 117.98 120.19 3f9k s PHE 83 Ca 0.00 1.22 0.09 0.00 -0.96 0.00 0.00 56.93 57.28 3f9k s PHE 83 Cb 0.00 -3.65 -0.04 0.00 -0.34 0.00 0.00 43.02 38.99 3f9k s PHE 83 CO 0.00 -2.01 -0.20 0.96 -1.46 0.00 0.00 175.22 172.51 3f9k s ILE 84 N -0.13 1.84 -0.03 3.12 -4.36 -1.26 -0.53 121.20 119.85 3f9k s ILE 84 Ca 0.56 -1.78 0.04 0.00 -0.26 0.00 0.00 60.65 59.21 3f9k s ILE 84 Cb -0.38 -1.76 -0.00 0.00 1.25 0.00 0.00 42.46 41.56 3f9k s ILE 84 CO 0.41 -0.18 -0.15 -1.61 0.24 0.00 0.00 174.94 173.65 3f9k s GLU 85 N -2.41 1.50 0.04 0.37 0.41 -0.08 -4.95 118.70 113.58 3f9k s GLU 85 Ca 0.12 -0.53 -0.13 0.00 -0.41 0.00 0.00 54.97 54.03 3f9k s GLU 85 Cb -0.08 -1.34 0.02 0.00 -1.78 0.00 0.00 34.13 30.95 3f9k s GLU 85 CO 0.06 0.23 0.28 0.00 -0.49 0.00 0.00 175.26 175.34 3f9k s ALA 86 N 0.01 -0.63 -0.11 5.21 0.00 -1.26 -0.31 121.76 124.68 3f9k s ALA 86 Ca -0.02 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 3f9k s ALA 86 Cb -0.10 0.28 0.08 0.00 0.00 0.00 0.00 23.12 23.38 3f9k s ALA 86 CO 0.01 -0.38 0.73 -2.00 0.00 0.00 0.00 175.76 174.12 3f9k s GLU 87 N -2.41 0.95 -0.05 0.00 2.12 -0.74 -4.71 118.70 113.87 3f9k s GLU 87 Ca -0.06 0.38 -0.25 0.00 0.36 0.00 0.00 54.97 55.40 3f9k s GLU 87 Cb -0.01 0.45 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 3f9k s GLU 87 CO -0.03 -0.27 0.78 0.08 -0.54 0.00 0.00 175.26 175.29 3f9k s VAL 88 N -0.87 4.99 0.01 3.70 1.01 -1.26 -0.39 120.40 127.59 3f9k s VAL 88 Ca -0.08 1.63 0.05 0.00 0.00 0.00 0.00 61.98 63.58 3f9k s VAL 88 Cb -0.01 -4.12 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3f9k s VAL 88 CO 0.07 0.22 -0.12 0.27 0.00 0.00 0.00 175.10 175.54 3f9k s ILE 89 N 0.89 3.23 0.11 2.22 -4.36 0.09 -4.95 121.20 118.42 3f9k s ILE 89 Ca 0.42 -0.93 -0.25 0.00 -0.26 0.00 0.00 60.65 59.63 3f9k s ILE 89 Cb -0.19 -2.37 -0.09 0.00 1.25 0.00 0.00 42.46 41.07 3f9k s ILE 89 CO 0.21 0.40 1.68 1.55 0.24 0.00 0.00 174.94 179.01 3f9k h PRO 90 N 4.63 -0.27 -5.39 0.37 0.13 -1.98 -3.37 132.00 126.12 3f9k h PRO 90 Ca -0.48 0.02 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 3f9k h PRO 90 Cb 1.16 0.06 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 3f9k h PRO 90 CO 0.51 -0.18 -0.75 -0.65 -0.23 0.00 0.00 178.00 176.69 3f9k s GLN 91 N -6.13 1.03 0.00 0.86 1.11 -1.26 -4.90 119.66 110.37 3f9k s GLN 91 Ca -0.15 -1.26 -0.04 0.00 0.01 0.00 0.00 55.36 53.93 3f9k s GLN 91 Cb 0.08 -0.88 -0.16 0.00 -1.01 0.00 0.00 33.01 31.04 3f9k s GLN 91 CO 0.66 0.16 2.86 -1.91 0.01 0.00 0.00 175.29 177.08 3f9k n GLU 92 N 0.46 1.53 -2.71 2.91 2.13 -1.26 -4.76 120.64 118.95 3f9k n GLU 92 Ca -0.15 -0.60 -0.27 0.00 0.66 0.00 0.00 57.16 56.81 3f9k n GLU 92 Cb 0.57 -1.63 -0.00 0.00 0.27 0.00 0.00 31.44 30.66 3f9k n GLU 92 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3f9k s SER 93 N 2.04 6.26 0.23 4.31 1.04 -1.26 -4.55 113.70 121.76 3f9k s SER 93 Ca 0.40 0.88 -0.08 0.00 0.48 0.00 0.00 55.95 57.63 3f9k s SER 93 Cb 0.19 -2.22 0.24 0.00 0.10 0.00 0.00 66.02 64.34 3f9k s SER 93 CO 0.00 -0.56 1.87 1.23 0.98 0.00 0.00 173.24 176.76 3f9k h GLY 94 N 0.27 1.18 0.89 7.32 0.00 -1.89 -2.53 103.07 108.31 3f9k h GLY 94 Ca -0.47 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.46 3f9k h GLY 94 CO 0.62 0.33 -0.11 -0.09 0.00 0.00 0.00 176.54 177.29 3f9k h ARG 95 N 1.00 -0.28 -0.80 4.80 2.43 -1.94 -0.76 114.38 118.83 3f9k h ARG 95 Ca 0.33 0.02 0.16 0.00 -0.81 0.00 0.00 59.98 59.67 3f9k h ARG 95 Cb 0.02 0.06 -0.10 0.00 -0.42 0.00 0.00 29.97 29.53 3f9k h ARG 95 CO -0.12 -0.10 0.34 1.96 -1.51 0.00 0.00 179.97 180.54 3f9k h GLN 96 N -0.41 0.46 0.13 0.20 1.08 -1.83 -0.00 115.11 114.74 3f9k h GLN 96 Ca -0.03 -0.03 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 3f9k h GLN 96 Cb 0.31 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 3f9k h GLN 96 CO 0.05 0.30 -0.06 1.15 -0.95 0.00 0.00 178.83 179.32 3f9k h THR 97 N 0.47 0.93 -0.77 -0.54 2.02 -1.32 -2.05 112.91 111.66 3f9k h THR 97 Ca 0.45 -0.24 0.13 0.00 0.77 0.00 0.00 66.41 67.52 3f9k h THR 97 Cb 0.71 1.08 -0.09 0.00 -1.74 0.00 0.00 68.15 68.12 3f9k h THR 97 CO -0.42 0.06 0.36 0.00 0.37 0.00 0.00 175.52 175.89 3f9k h ALA 98 N 0.56 1.10 -0.10 6.16 0.00 -0.17 0.09 119.26 126.90 3f9k h ALA 98 Ca -0.02 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3f9k h ALA 98 Cb 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3f9k h ALA 98 CO 0.03 -0.11 0.07 -0.07 0.00 0.00 0.00 179.25 179.17 3f9k h LEU 99 N 0.56 0.12 -0.47 0.00 -0.00 -0.91 -1.52 115.31 113.08 3f9k h LEU 99 Ca 0.41 -0.01 0.05 0.00 -0.00 0.00 0.00 57.88 58.33 3f9k h LEU 99 Cb 0.54 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 41.13 3f9k h LEU 99 CO -0.34 0.09 0.22 0.15 -0.00 0.00 0.00 178.44 178.55 3f9k h PHE 100 N 0.14 0.39 -0.38 1.13 3.57 -0.61 -1.35 116.94 119.83 3f9k h PHE 100 Ca 0.04 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.61 3f9k h PHE 100 Cb -0.01 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 38.58 3f9k h PHE 100 CO -0.07 0.18 0.10 1.25 -2.23 0.00 0.00 178.31 177.53 3f9k h LEU 101 N 0.43 0.06 -1.18 0.59 6.46 -0.83 -1.37 115.31 119.47 3f9k h LEU 101 Ca 0.21 0.06 0.03 0.00 -0.12 0.00 0.00 57.88 58.06 3f9k h LEU 101 Cb 0.16 0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.10 3f9k h LEU 101 CO -0.18 0.07 0.56 -0.07 -0.62 0.00 0.00 178.44 178.21 3f9k h LEU 102 N 0.23 0.93 0.04 2.25 3.38 -0.49 0.16 115.31 121.81 3f9k h LEU 102 Ca 0.18 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3f9k h LEU 102 Cb 0.19 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3f9k h LEU 102 CO -0.21 0.65 -0.02 0.11 0.09 0.00 0.00 178.44 179.06 3f9k h LYS 103 N 1.08 -0.05 -0.25 1.13 1.57 -0.70 -1.98 116.57 117.39 3f9k h LYS 103 Ca 0.33 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.17 3f9k h LYS 103 Cb -0.01 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3f9k h LYS 103 CO -0.09 0.07 -0.12 1.25 -0.57 0.00 0.00 179.45 180.00 3f9k h LEU 104 N -0.15 -0.39 -1.23 2.94 5.85 -0.50 -1.95 115.31 119.88 3f9k h LEU 104 Ca -0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3f9k h LEU 104 Cb 0.14 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.39 3f9k h LEU 104 CO 0.01 -0.15 0.00 0.00 -0.34 0.00 0.00 178.44 177.96 3f9k h ALA 105 N 1.12 1.00 -0.00 1.25 0.00 -0.59 -2.03 119.26 120.02 3f9k h ALA 105 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3f9k h ALA 105 Cb 0.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3f9k h ALA 105 CO -0.30 0.00 -0.11 -1.13 0.00 0.00 0.00 179.25 177.71 3f9k n SER 106 N -2.48 0.30 -0.00 0.00 3.41 -0.74 -4.19 113.62 109.93 3f9k n SER 106 Ca 0.01 -0.28 -0.01 0.00 -0.26 0.00 0.00 58.87 58.33 3f9k n SER 106 Cb 0.18 -0.15 -0.00 0.00 -0.26 0.00 0.00 64.21 63.98 3f9k n SER 106 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3f9k n ARG 107 N -1.17 0.02 -4.32 4.33 1.74 -0.84 -5.09 116.66 111.33 3f9k n ARG 107 Ca 0.12 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.91 3f9k n ARG 107 Cb 0.29 -0.90 -0.11 0.00 -1.02 0.00 0.00 32.46 30.71 3f9k n ARG 107 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3f9k s TRP 108 N -2.01 2.53 0.09 -1.55 0.52 -0.82 -5.10 118.94 112.60 3f9k s TRP 108 Ca -0.01 -0.26 -0.31 0.00 0.02 0.00 0.00 56.10 55.54 3f9k s TRP 108 Cb 0.00 -1.35 -0.08 0.00 -1.15 0.00 0.00 33.47 30.90 3f9k s TRP 108 CO 0.01 0.38 1.45 -1.25 0.02 0.00 0.00 176.95 177.56 3f9k s PRO 109 N -2.11 4.28 -0.14 4.98 0.04 -1.26 -4.52 135.00 136.27 3f9k s PRO 109 Ca 0.18 2.12 -0.00 0.00 0.04 0.00 0.00 61.00 63.34 3f9k s PRO 109 Cb -0.11 -3.36 0.02 0.00 0.04 0.00 0.00 34.50 31.10 3f9k s PRO 109 CO 0.10 -0.53 -0.11 0.42 0.04 0.00 0.00 177.00 176.92 3f9k s ILE 110 N 1.61 1.33 -0.26 0.56 1.01 -1.26 -4.57 121.20 119.62 3f9k s ILE 110 Ca 0.66 -0.49 -0.06 0.00 0.00 0.00 0.00 60.65 60.75 3f9k s ILE 110 Cb -0.37 -1.29 -0.14 0.00 0.01 0.00 0.00 42.46 40.67 3f9k s ILE 110 CO 0.30 0.40 -0.29 0.41 0.00 0.00 0.00 174.94 175.76 3f9k n THR 111 N 4.85 1.44 -3.89 2.92 -1.04 0.11 -4.64 114.28 114.03 3f9k n THR 111 Ca -0.15 -0.45 -0.18 0.00 -2.04 0.00 0.00 64.05 61.24 3f9k n THR 111 Cb 0.50 -1.64 -0.16 0.00 -1.82 0.00 0.00 70.33 67.20 3f9k n THR 111 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3f9k s HIS 112 N -2.49 0.32 -0.17 -1.42 5.65 -0.64 -0.47 115.29 116.07 3f9k s HIS 112 Ca -0.36 0.01 0.01 0.00 0.25 0.00 0.00 55.06 54.97 3f9k s HIS 112 Cb 0.12 -0.44 0.02 0.00 -1.18 0.00 0.00 32.58 31.10 3f9k s HIS 112 CO 0.52 -0.15 -0.18 -1.17 -0.65 0.00 0.00 174.74 173.11 3f9k s LEU 113 N 1.19 2.05 -0.13 8.88 0.20 0.28 -0.85 118.68 130.30 3f9k s LEU 113 Ca -0.07 -0.63 0.02 0.00 0.69 0.00 0.00 54.13 54.13 3f9k s LEU 113 Cb -0.13 -1.39 -0.00 0.00 -0.43 0.00 0.00 46.19 44.23 3f9k s LEU 113 CO -0.02 -0.02 -0.20 -2.28 -0.29 0.00 0.00 176.35 173.54 3f9k s HIS 114 N 1.34 2.68 0.31 5.38 2.46 -0.60 -1.35 115.29 125.52 3f9k s HIS 114 Ca 0.04 -1.05 0.04 0.00 0.47 0.00 0.00 55.06 54.56 3f9k s HIS 114 Cb -0.13 -1.80 -0.03 0.00 -0.13 0.00 0.00 32.58 30.48 3f9k s HIS 114 CO -0.12 -0.44 0.18 0.95 -2.47 0.00 0.00 174.74 172.84 3f9k s THR 115 N 0.56 0.25 0.00 0.89 -4.23 -0.83 -2.68 115.64 109.61 3f9k s THR 115 Ca -0.12 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3f9k s THR 115 Cb -0.16 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.18 3f9k s THR 115 CO 0.04 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.22 3f9k n ASP 116 N -1.05 -0.19 -1.12 3.99 5.68 -1.26 -0.34 116.55 122.25 3f9k n ASP 116 Ca 0.02 -0.62 0.08 0.00 -0.50 0.00 0.00 54.79 53.77 3f9k n ASP 116 Cb 0.64 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.88 3f9k n ASP 116 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3f9k n ASN 117 N -2.14 3.26 -4.53 -1.12 4.13 -1.26 -4.27 115.26 109.32 3f9k n ASN 117 Ca 0.00 -2.13 -0.52 0.00 1.68 0.00 0.00 54.58 53.61 3f9k n ASN 117 Cb 0.00 -0.42 -0.05 0.00 -1.54 0.00 0.00 39.78 37.77 3f9k n ASN 117 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3f9k n GLY 118 N 1.21 -0.29 0.32 7.41 0.00 -1.26 -4.68 105.19 107.91 3f9k n GLY 118 Ca 0.19 0.57 0.18 0.00 0.00 0.00 0.00 46.02 46.96 3f9k n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3f9k h ALA 119 N 2.98 1.50 -0.43 4.61 0.00 -1.94 0.82 119.26 126.81 3f9k h ALA 119 Ca -0.43 0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3f9k h ALA 119 Cb 1.38 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3f9k h ALA 119 CO 0.67 -0.58 0.08 -2.95 0.00 0.00 0.00 179.25 176.47 3f9k h ASN 120 N 0.15 0.60 0.54 0.00 -1.07 -1.88 -1.43 115.58 112.49 3f9k h ASN 120 Ca 0.64 -0.10 -0.25 0.00 0.07 0.00 0.00 56.30 56.66 3f9k h ASN 120 Cb 1.40 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 37.50 3f9k h ASN 120 CO -0.72 0.62 -1.12 -0.26 0.07 0.00 0.00 177.43 176.02 3f9k h PHE 121 N 0.63 0.51 -0.01 4.14 0.04 -1.18 -3.11 116.94 117.96 3f9k h PHE 121 Ca 0.14 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3f9k h PHE 121 Cb 0.27 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.39 3f9k h PHE 121 CO 0.01 1.21 -0.01 0.25 -0.60 0.00 0.00 178.31 179.18 3f9k n THR 122 N -3.61 0.00 -0.58 -1.55 -2.24 -0.92 -4.71 114.28 100.66 3f9k n THR 122 Ca -0.07 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.25 3f9k n THR 122 Cb 0.95 0.16 0.23 0.00 -2.10 0.00 0.00 70.33 69.56 3f9k n THR 122 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3f9k s SER 123 N -2.02 1.44 0.04 3.42 1.04 -0.55 -4.86 113.70 112.21 3f9k s SER 123 Ca 0.41 1.69 -0.19 0.00 0.48 0.00 0.00 55.95 58.34 3f9k s SER 123 Cb 0.21 -2.37 -0.17 0.00 0.10 0.00 0.00 66.02 63.79 3f9k s SER 123 CO 0.35 -3.94 1.25 -0.61 0.98 0.00 0.00 173.24 171.27 3f9k h GLN 124 N -2.45 0.46 -0.80 4.02 5.75 -1.89 -2.79 115.11 117.42 3f9k h GLN 124 Ca -0.57 -0.34 0.11 0.00 -0.15 0.00 0.00 58.65 57.70 3f9k h GLN 124 Cb 1.32 0.06 -0.08 0.00 1.07 0.00 0.00 27.48 29.85 3f9k h GLN 124 CO 0.48 0.96 0.43 0.93 -2.65 0.00 0.00 178.83 178.98 3f9k h GLU 125 N 0.04 0.68 -0.19 1.69 3.07 -1.93 -0.95 114.58 117.00 3f9k h GLU 125 Ca -0.01 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 58.76 3f9k h GLU 125 Cb 1.00 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.75 3f9k h GLU 125 CO 0.08 0.45 -0.07 0.28 -1.40 0.00 0.00 179.01 178.35 3f9k h VAL 126 N 0.70 1.30 -0.89 3.13 2.07 -1.77 -2.64 116.25 118.15 3f9k h VAL 126 Ca 0.40 -1.09 0.14 0.00 0.82 0.00 0.00 66.70 66.97 3f9k h VAL 126 Cb 0.44 1.63 -0.09 0.00 -1.52 0.00 0.00 31.29 31.75 3f9k h VAL 126 CO -0.28 0.33 0.50 0.11 0.02 0.00 0.00 177.57 178.24 3f9k h LYS 127 N 0.08 0.71 0.08 1.57 1.57 -1.12 0.04 116.57 119.49 3f9k h LYS 127 Ca 0.04 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3f9k h LYS 127 Cb 0.54 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 3f9k h LYS 127 CO 0.02 0.47 -0.07 0.52 -0.57 0.00 0.00 179.45 179.83 3f9k h MET 128 N 0.73 -0.15 -0.35 3.15 2.86 -1.06 0.12 114.93 120.23 3f9k h MET 128 Ca 0.47 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 58.15 3f9k h MET 128 Cb 0.61 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.27 3f9k h MET 128 CO -0.33 -0.10 0.17 0.28 1.06 0.00 0.00 176.91 177.99 3f9k h VAL 129 N -0.16 0.98 -0.56 -2.22 2.07 -1.06 0.65 116.25 115.94 3f9k h VAL 129 Ca 0.00 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.46 3f9k h VAL 129 Cb 0.15 0.59 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3f9k h VAL 129 CO -0.01 0.07 0.26 0.00 0.02 0.00 0.00 177.57 177.90 3f9k h ALA 130 N 1.19 0.73 -0.32 1.67 0.00 -0.73 -0.06 119.26 121.74 3f9k h ALA 130 Ca 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3f9k h ALA 130 Cb 0.06 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3f9k h ALA 130 CO -0.11 -0.11 0.17 2.35 0.00 0.00 0.00 179.25 181.55 3f9k h TRP 131 N 0.49 0.44 -0.26 0.00 7.01 -0.26 0.34 115.95 123.71 3f9k h TRP 131 Ca 0.26 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.23 3f9k h TRP 131 Cb 0.23 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 27.14 3f9k h TRP 131 CO -0.12 0.37 0.08 2.35 -2.79 0.00 0.00 178.44 178.33 3f9k h TRP 132 N 0.39 0.41 0.00 2.65 7.01 -0.14 -2.58 115.95 123.70 3f9k h TRP 132 Ca 0.11 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 61.05 3f9k h TRP 132 Cb 0.08 -0.12 -0.00 0.00 -2.10 0.00 0.00 29.16 27.02 3f9k h TRP 132 CO -0.03 0.45 -0.11 0.82 -2.79 0.00 0.00 178.44 176.78 3f9k h ILE 133 N 0.25 0.21 -2.52 2.65 5.03 -1.08 -3.48 117.51 118.57 3f9k h ILE 133 Ca 0.08 -1.16 0.00 0.00 -0.12 0.00 0.00 64.86 63.67 3f9k h ILE 133 Cb 0.23 1.98 0.00 0.00 -3.03 0.00 0.00 36.82 36.00 3f9k h ILE 133 CO -0.00 0.11 0.00 0.61 -0.68 0.00 0.00 178.15 178.19 3f9k n GLY 134 N 0.88 0.81 3.33 5.37 0.00 0.41 -5.04 105.19 110.95 3f9k n GLY 134 Ca 0.03 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.37 3f9k n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3f9k s ILE 135 N -2.89 2.56 -0.15 -0.61 1.01 0.91 -4.82 121.20 117.21 3f9k s ILE 135 Ca 0.00 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.49 3f9k s ILE 135 Cb 0.00 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.45 3f9k s ILE 135 CO 0.00 0.56 1.19 -0.70 0.00 0.00 0.00 174.94 175.98 3f9k s GLU 136 N -0.02 4.28 -0.00 2.79 2.12 0.38 -4.61 118.70 123.63 3f9k s GLU 136 Ca -0.06 1.58 -0.12 0.00 0.36 0.00 0.00 54.97 56.74 3f9k s GLU 136 Cb -0.15 -3.68 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 3f9k s GLU 136 CO 0.05 -0.60 0.35 -0.65 -0.54 0.00 0.00 175.26 173.86 3f9k s GLN 137 N 3.03 3.78 -0.02 4.30 -0.21 -1.26 -0.56 119.66 128.72 3f9k s GLN 137 Ca 0.52 0.23 0.01 0.00 0.02 0.00 0.00 55.36 56.14 3f9k s GLN 137 Cb -0.21 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.66 3f9k s GLN 137 CO 0.15 0.68 -0.01 -1.12 -2.12 0.00 0.00 175.29 172.86 3f9k s SER 138 N -1.25 0.41 -0.13 5.90 0.01 -0.45 -4.95 113.70 113.23 3f9k s SER 138 Ca 0.24 -0.04 0.01 0.00 1.31 0.00 0.00 55.95 57.47 3f9k s SER 138 Cb -0.15 -0.16 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 3f9k s SER 138 CO 0.13 -0.04 -0.15 -0.36 0.41 0.00 0.00 173.24 173.23 3f9k s PHE 139 N 0.56 2.77 0.00 2.43 0.08 -1.26 -1.96 117.98 120.59 3f9k s PHE 139 Ca -0.06 -0.74 0.00 0.00 0.12 0.00 0.00 56.93 56.25 3f9k s PHE 139 Cb -0.09 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.54 3f9k s PHE 139 CO -0.01 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.25 3f9k n GLY 140 N 3.57 1.91 3.76 4.36 0.00 0.54 -4.60 105.19 114.72 3f9k n GLY 140 Ca -0.18 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 3f9k n GLY 140 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3f9k s VAL 141 N 0.00 2.52 0.16 1.61 -7.23 -1.26 -4.19 120.40 112.01 3f9k s VAL 141 Ca 0.00 0.37 -0.09 0.00 -1.81 0.00 0.00 61.98 60.45 3f9k s VAL 141 Cb 0.00 -3.17 -0.06 0.00 0.56 0.00 0.00 36.38 33.70 3f9k s VAL 141 CO 0.00 -0.03 0.47 -2.16 -0.31 0.00 0.00 175.10 173.07 3f9k s PRO 142 N -3.00 3.77 0.09 4.82 0.04 -1.26 -5.17 135.00 134.28 3f9k s PRO 142 Ca 0.72 0.18 -0.02 0.00 0.04 0.00 0.00 61.00 61.92 3f9k s PRO 142 Cb -0.34 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 3f9k s PRO 142 CO 0.39 0.44 0.27 0.71 0.04 0.00 0.00 177.00 178.85 3f9k s TYR 143 N -1.62 3.51 0.72 0.56 1.51 -1.26 -4.98 117.35 115.78 3f9k s TYR 143 Ca 0.41 0.38 -0.16 0.00 -1.01 0.00 0.00 57.07 56.69 3f9k s TYR 143 Cb -0.13 -1.86 -0.01 0.00 -0.11 0.00 0.00 41.96 39.85 3f9k s TYR 143 CO 0.21 0.54 0.77 0.09 -1.11 0.00 0.00 175.55 176.05 3f9k n ASN 144 N 0.27 -0.27 -4.77 2.29 3.02 -1.26 -4.87 115.26 109.66 3f9k n ASN 144 Ca -0.04 0.63 -0.34 0.00 -0.03 0.00 0.00 54.58 54.80 3f9k n ASN 144 Cb 0.51 -1.32 0.04 0.00 -0.61 0.00 0.00 39.78 38.40 3f9k n ASN 144 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3f9k s PRO 145 N -3.07 2.90 -1.46 3.52 0.02 -1.26 -3.17 135.00 132.48 3f9k s PRO 145 Ca 0.70 1.49 0.00 0.00 0.02 0.00 0.00 61.00 63.21 3f9k s PRO 145 Cb -0.35 -1.96 0.00 0.00 0.02 0.00 0.00 34.50 32.22 3f9k s PRO 145 CO 0.54 -1.19 0.00 0.00 -0.33 0.00 0.00 177.00 176.02 3f9k n GLN 146 N -2.12 -1.67 0.00 5.54 -0.00 -1.26 -4.66 117.38 113.21 3f9k n GLN 146 Ca 0.11 0.82 0.00 0.00 -0.00 0.00 0.00 57.00 57.93 3f9k n GLN 146 Cb 0.51 -5.26 0.00 0.00 -0.00 0.00 0.00 30.24 25.50 3f9k n GLN 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3f9k n SER 147 N -1.26 0.00 -4.71 2.61 3.41 -1.19 -4.93 113.62 107.56 3f9k n SER 147 Ca -0.16 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.03 3f9k n SER 147 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 3f9k n SER 147 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 3f9k s GLN 148 N 0.00 4.27 -0.89 4.33 2.00 -1.22 -3.74 119.66 124.41 3f9k s GLN 148 Ca 0.00 2.16 0.00 0.00 -2.00 0.00 0.00 55.36 55.52 3f9k s GLN 148 Cb 0.00 -3.33 0.00 0.00 0.80 0.00 0.00 33.01 30.48 3f9k s GLN 148 CO 0.00 -0.54 0.00 0.41 -0.50 0.00 0.00 175.29 174.66 3f9k n GLY 149 N 3.65 0.17 0.12 2.59 0.00 -1.26 -4.95 105.19 105.50 3f9k n GLY 149 Ca 0.13 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 3f9k n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3f9k h VAL 150 N 0.00 1.31 0.01 1.61 2.07 -1.98 -2.42 116.25 116.85 3f9k h VAL 150 Ca -0.23 -1.06 0.02 0.00 0.82 0.00 0.00 66.70 66.25 3f9k h VAL 150 Cb 1.08 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.56 3f9k h VAL 150 CO 0.28 0.31 -0.13 0.58 0.02 0.00 0.00 177.57 178.63 3f9k h VAL 151 N -0.06 0.67 -0.76 2.57 2.07 -1.90 -0.76 116.25 118.08 3f9k h VAL 151 Ca 0.03 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.71 3f9k h VAL 151 Cb 0.50 0.67 -0.10 0.00 -1.52 0.00 0.00 31.29 30.85 3f9k h VAL 151 CO 0.02 0.00 0.27 -0.33 0.02 0.00 0.00 177.57 177.55 3f9k h GLU 152 N -0.23 0.37 -0.19 1.57 3.07 -1.97 0.42 114.58 117.62 3f9k h GLU 152 Ca 0.04 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.88 3f9k h GLU 152 Cb 0.28 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.10 3f9k h GLU 152 CO -0.12 0.24 0.12 0.00 -1.40 0.00 0.00 179.01 177.85 3f9k h ALA 153 N 1.58 0.24 -0.63 3.43 0.00 -0.94 -2.95 119.26 119.99 3f9k h ALA 153 Ca 0.43 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.30 3f9k h ALA 153 Cb 0.70 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3f9k h ALA 153 CO -0.45 -0.29 0.28 0.52 0.00 0.00 0.00 179.25 179.31 3f9k h MET 154 N 0.25 0.90 -0.57 0.00 2.86 0.66 -1.26 114.93 117.76 3f9k h MET 154 Ca 0.07 -0.13 0.11 0.00 -2.06 0.00 0.00 59.70 57.70 3f9k h MET 154 Cb -0.02 -0.16 -0.11 0.00 0.06 0.00 0.00 31.60 31.36 3f9k h MET 154 CO -0.02 0.71 -0.22 -0.91 1.06 0.00 0.00 176.91 177.53 3f9k h ASN 155 N 0.89 -0.78 0.38 1.22 2.35 -0.14 0.70 115.58 120.20 3f9k h ASN 155 Ca 0.22 0.20 -0.01 0.00 -0.55 0.00 0.00 56.30 56.15 3f9k h ASN 155 Cb 0.13 0.44 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 3f9k h ASN 155 CO -0.02 -0.25 -0.29 -0.74 -1.65 0.00 0.00 177.43 174.48 3f9k h HIS 156 N -0.08 -0.78 -0.88 1.19 -0.00 -1.19 -1.68 115.15 111.73 3f9k h HIS 156 Ca 0.26 -0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.66 3f9k h HIS 156 Cb 0.49 0.29 -0.05 0.00 -0.00 0.00 0.00 27.41 28.14 3f9k h HIS 156 CO -0.54 -0.43 0.58 0.45 -0.00 0.00 0.00 177.93 177.99 3f9k h HIS 157 N -0.67 1.08 -0.53 5.26 3.86 -0.44 -0.20 115.15 123.50 3f9k h HIS 157 Ca -0.03 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.17 3f9k h HIS 157 Cb 0.58 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 3f9k h HIS 157 CO -0.14 0.65 0.19 1.25 0.86 0.00 0.00 177.93 180.74 3f9k h LEU 158 N 1.14 0.76 -0.81 2.43 5.85 0.49 -1.50 115.31 123.66 3f9k h LEU 158 Ca 0.34 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 3f9k h LEU 158 Cb -0.05 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.75 3f9k h LEU 158 CO -0.09 0.75 0.37 0.11 -0.34 0.00 0.00 178.44 179.23 3f9k h LYS 159 N 0.73 1.18 -0.79 1.25 1.57 -0.44 0.96 116.57 121.03 3f9k h LYS 159 Ca 0.17 -0.19 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 3f9k h LYS 159 Cb 0.25 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 3f9k h LYS 159 CO -0.01 0.93 0.48 -0.91 -0.57 0.00 0.00 179.45 179.37 3f9k h ASN 160 N 1.16 0.76 -0.24 0.86 2.35 -0.80 -0.05 115.58 119.62 3f9k h ASN 160 Ca 0.28 0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.99 3f9k h ASN 160 Cb 0.16 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3f9k h ASN 160 CO -0.03 0.49 -0.06 -0.61 -1.65 0.00 0.00 177.43 175.57 3f9k h GLN 161 N 0.89 0.46 -0.94 0.81 5.75 -0.56 -2.15 115.11 119.37 3f9k h GLN 161 Ca 0.34 -0.18 0.11 0.00 -0.15 0.00 0.00 58.65 58.78 3f9k h GLN 161 Cb 0.15 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.60 3f9k h GLN 161 CO -0.17 0.69 0.60 0.82 -2.65 0.00 0.00 178.83 178.13 3f9k h ILE 162 N 0.19 0.94 -0.40 2.39 2.04 -0.55 -2.05 117.51 120.07 3f9k h ILE 162 Ca 0.06 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 3f9k h ILE 162 Cb 0.52 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 3f9k h ILE 162 CO 0.02 0.17 0.13 -1.28 0.00 0.00 0.00 178.15 177.19 3f9k h SER 163 N 0.92 0.58 -0.44 1.72 0.87 -0.72 -0.24 113.55 116.24 3f9k h SER 163 Ca 0.45 -0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.86 3f9k h SER 163 Cb 0.47 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3f9k h SER 163 CO -0.21 0.62 0.29 0.03 -0.53 0.00 0.00 176.83 177.03 3f9k h ARG 164 N 0.50 0.41 -0.14 2.24 3.08 -0.72 -2.63 114.38 117.13 3f9k h ARG 164 Ca 0.13 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3f9k h ARG 164 Cb 0.24 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3f9k h ARG 164 CO -0.01 0.27 0.00 0.44 -1.07 0.00 0.00 179.97 179.61 3f9k n ILE 165 N -4.48 1.98 -0.13 2.04 -5.35 -1.08 -4.83 119.36 107.51 3f9k n ILE 165 Ca 0.05 -1.96 -0.05 0.00 -0.27 0.00 0.00 62.75 60.52 3f9k n ILE 165 Cb 0.19 -0.17 0.01 0.00 -1.74 0.00 0.00 39.64 37.94 3f9k n ILE 165 CO 0.00 0.00 0.00 -0.09 -1.76 0.00 0.00 176.55 174.70 3f9k h ARG 166 N 0.93 -0.12 -0.98 6.28 1.12 -0.64 -2.33 114.38 118.64 3f9k h ARG 166 Ca 0.00 0.01 -0.23 0.00 -1.11 0.00 0.00 59.98 58.64 3f9k h ARG 166 Cb 1.16 0.03 -0.14 0.00 -0.01 0.00 0.00 29.97 31.01 3f9k h ARG 166 CO 0.10 -0.08 0.30 -0.85 -3.11 0.00 0.00 179.97 176.33 3f9k n GLU 167 N -5.39 1.75 0.01 0.20 0.28 -1.26 -3.48 120.64 112.75 3f9k n GLU 167 Ca 0.03 -1.50 0.11 0.00 -0.16 0.00 0.00 57.16 55.63 3f9k n GLU 167 Cb 0.30 -1.61 -0.06 0.00 1.43 0.00 0.00 31.44 31.50 3f9k n GLU 167 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3f9k n GLN 168 N -0.26 0.28 -3.71 3.44 6.02 -0.88 -4.97 117.38 117.31 3f9k n GLN 168 Ca 0.28 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3f9k n GLN 168 Cb 1.05 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 30.69 3f9k n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3f9k s ALA 169 N -3.21 -0.83 -0.05 -1.58 0.00 -1.23 -5.11 121.76 109.76 3f9k s ALA 169 Ca 0.03 0.13 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3f9k s ALA 169 Cb 0.15 0.35 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 3f9k s ALA 169 CO 0.84 -0.44 -0.02 -0.91 0.00 0.00 0.00 175.76 175.24 3f9k h ASN 170 N 3.09 0.00 -4.02 0.00 2.35 -1.93 -3.48 115.58 111.60 3f9k h ASN 170 Ca -0.32 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 54.91 3f9k h ASN 170 Cb 1.20 0.00 0.09 0.00 0.05 0.00 0.00 38.32 39.66 3f9k h ASN 170 CO 0.45 0.24 0.52 0.42 -1.65 0.00 0.00 177.43 177.42 3f9k s THR 171 N -1.31 2.79 0.20 2.81 -4.23 -1.26 -4.95 115.64 109.70 3f9k s THR 171 Ca -0.01 0.59 0.04 0.00 -1.18 0.00 0.00 61.69 61.13 3f9k s THR 171 Cb 0.00 -3.30 -0.10 0.00 1.34 0.00 0.00 72.50 70.44 3f9k s THR 171 CO 0.02 -0.01 1.46 0.40 -0.54 0.00 0.00 174.62 175.95 3f9k h ILE 172 N 1.73 1.46 -0.81 2.99 2.04 -1.97 -2.33 117.51 120.62 3f9k h ILE 172 Ca -0.50 -2.36 0.20 0.00 1.00 0.00 0.00 64.86 63.20 3f9k h ILE 172 Cb 1.26 2.27 -0.13 0.00 -0.74 0.00 0.00 36.82 39.49 3f9k h ILE 172 CO 0.59 0.69 0.15 -0.33 0.00 0.00 0.00 178.15 179.25 3f9k h GLU 173 N 0.12 0.19 0.02 2.37 3.07 -1.97 -1.37 114.58 117.01 3f9k h GLU 173 Ca -0.03 -0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 58.71 3f9k h GLU 173 Cb 1.33 -0.04 0.01 0.00 -0.84 0.00 0.00 28.75 29.21 3f9k h GLU 173 CO 0.11 0.12 -0.45 1.15 -1.40 0.00 0.00 179.01 178.55 3f9k h THR 174 N 0.19 1.51 -0.81 1.13 2.02 -1.93 -3.33 112.91 111.68 3f9k h THR 174 Ca 0.47 -2.11 -0.02 0.00 0.77 0.00 0.00 66.41 65.53 3f9k h THR 174 Cb 0.88 2.80 -0.04 0.00 -1.74 0.00 0.00 68.15 70.06 3f9k h THR 174 CO -0.62 0.59 0.44 -0.29 0.37 0.00 0.00 175.52 176.01 3f9k h ILE 175 N -0.36 1.24 0.47 3.11 6.09 -0.89 -2.61 117.51 124.56 3f9k h ILE 175 Ca -0.06 -0.60 -0.01 0.00 -1.37 0.00 0.00 64.86 62.81 3f9k h ILE 175 Cb 1.21 0.15 -0.01 0.00 0.47 0.00 0.00 36.82 38.64 3f9k h ILE 175 CO 0.09 0.27 -0.34 0.58 -3.07 0.00 0.00 178.15 175.68 3f9k h VAL 176 N 1.14 0.31 -0.76 2.19 2.07 -1.41 -0.12 116.25 119.66 3f9k h VAL 176 Ca 0.29 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.93 3f9k h VAL 176 Cb 0.04 0.31 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 3f9k h VAL 176 CO -0.05 0.00 0.50 -0.07 0.02 0.00 0.00 177.57 177.98 3f9k h LEU 177 N -0.79 0.51 -0.18 2.57 3.38 -1.63 0.13 115.31 119.29 3f9k h LEU 177 Ca -0.05 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 3f9k h LEU 177 Cb 0.67 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3f9k h LEU 177 CO 0.02 0.28 -0.10 0.24 0.09 0.00 0.00 178.44 178.98 3f9k h MET 178 N 0.55 0.39 -0.59 1.13 2.86 -1.13 -2.56 114.93 115.58 3f9k h MET 178 Ca 0.37 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 3f9k h MET 178 Cb 0.66 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.27 3f9k h MET 178 CO -0.13 0.70 0.36 0.00 1.06 0.00 0.00 176.91 178.89 3f9k h ALA 179 N 0.68 0.77 -0.59 6.32 0.00 0.69 -2.35 119.26 124.78 3f9k h ALA 179 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3f9k h ALA 179 Cb 0.58 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3f9k h ALA 179 CO 0.03 0.08 0.32 0.28 0.00 0.00 0.00 179.25 179.96 3f9k h VAL 180 N 0.70 0.97 -0.54 0.00 2.07 -0.81 -1.04 116.25 117.60 3f9k h VAL 180 Ca 0.24 -0.21 0.08 0.00 0.82 0.00 0.00 66.70 67.63 3f9k h VAL 180 Cb 0.04 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.06 3f9k h VAL 180 CO -0.11 0.11 0.19 -0.74 0.02 0.00 0.00 177.57 177.05 3f9k h HIS 181 N 0.61 0.34 -0.37 1.57 6.17 -1.01 -1.29 115.15 121.16 3f9k h HIS 181 Ca 0.26 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.37 3f9k h HIS 181 Cb 0.15 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 29.99 3f9k h HIS 181 CO -0.09 0.10 0.24 0.00 0.71 0.00 0.00 177.93 178.89 3f9k h MET 183 N 0.48 0.00 0.00 0.00 2.86 -0.61 0.31 114.93 117.97 3f9k h MET 183 Ca 0.14 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.58 3f9k h MET 183 Cb -0.04 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 3f9k h MET 183 CO -0.04 0.24 -1.74 0.09 1.06 0.00 0.00 176.91 176.53 3f9k n ASN 184 N -3.60 0.55 0.00 1.22 3.02 -0.54 -4.55 115.26 111.36 3f9k n ASN 184 Ca -0.01 0.25 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 3f9k n ASN 184 Cb 0.38 0.58 0.00 0.00 -0.61 0.00 0.00 39.78 40.13 3f9k n ASN 184 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3f9k n PHE 185 N -2.78 0.00 0.17 3.10 3.72 -0.46 -2.06 117.46 119.14 3f9k n PHE 185 Ca -0.15 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.29 3f9k n PHE 185 Cb 0.89 0.00 0.06 0.00 -0.94 0.00 0.00 39.48 39.50 3f9k n PHE 185 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3f9k n LYS 186 N -1.27 1.17 -4.52 -1.08 4.76 0.11 -4.95 118.16 112.39 3f9k n LYS 186 Ca 0.00 -1.33 -0.24 0.00 -2.87 0.00 0.00 58.31 53.87 3f9k n LYS 186 Cb 0.00 -1.17 -0.14 0.00 -1.84 0.00 0.00 35.03 31.88 3f9k n LYS 186 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 3f9k s ARG 187 N -0.80 1.22 -0.01 1.97 1.70 -1.21 -2.31 118.95 119.51 3f9k s ARG 187 Ca 0.12 -0.90 -0.01 0.00 -0.47 0.00 0.00 55.73 54.47 3f9k s ARG 187 Cb 0.08 -1.32 -0.00 0.00 -0.57 0.00 0.00 34.95 33.14 3f9k s ARG 187 CO 0.11 0.33 0.02 0.50 -1.08 0.00 0.00 175.30 175.18 3f9k s ARG 188 N -1.23 0.10 0.00 3.89 3.52 -1.26 -4.22 118.95 119.75 3f9k s ARG 188 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.57 3f9k s ARG 188 Cb -0.09 0.04 0.00 0.00 -1.56 0.00 0.00 34.95 33.34 3f9k s ARG 188 CO 0.02 -0.02 0.00 0.41 -0.81 0.00 0.00 175.30 174.90 3f9k n GLY 189 N 2.75 -0.62 7.00 8.12 0.00 -1.00 -4.46 105.19 116.97 3f9k n GLY 189 Ca -0.15 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3f9k n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3f9k n GLY 190 N 0.00 0.43 0.32 -0.02 0.00 -1.26 -1.95 105.19 102.71 3f9k n GLY 190 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 3f9k n GLY 190 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 3f9k h ILE 191 N 0.00 0.00 -0.54 -0.61 3.07 -1.95 -2.85 117.51 114.63 3f9k h ILE 191 Ca 0.00 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.41 3f9k h ILE 191 Cb 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 36.82 36.55 3f9k h ILE 191 CO 0.00 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.71 3f9k n GLY 192 N -1.27 2.83 3.61 0.16 0.00 -1.26 -4.95 105.19 104.32 3f9k n GLY 192 Ca -0.03 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 3f9k n GLY 192 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3f9k n ASP 193 N 0.90 -2.95 -4.59 1.61 10.43 -1.08 -5.01 116.55 115.87 3f9k n ASP 193 Ca 0.21 -0.84 -0.27 0.00 2.57 0.00 0.00 54.79 56.46 3f9k n ASP 193 Cb 0.68 -4.13 -0.11 0.00 1.84 0.00 0.00 41.12 39.40 3f9k n ASP 193 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3f9k s MET 194 N -5.70 1.90 0.42 -1.24 0.23 -0.82 -4.45 119.30 109.63 3f9k s MET 194 Ca 0.18 -2.04 -0.15 0.00 -1.03 0.00 0.00 55.69 52.64 3f9k s MET 194 Cb -0.05 -1.65 -0.08 0.00 -1.53 0.00 0.00 34.83 31.52 3f9k s MET 194 CO 0.81 0.02 0.86 0.95 -2.03 0.00 0.00 175.02 175.62 3f9k s THR 195 N -2.68 4.61 0.35 3.16 -4.23 -1.26 -2.38 115.64 113.21 3f9k s THR 195 Ca 0.34 1.04 0.14 0.00 -1.18 0.00 0.00 61.69 62.03 3f9k s THR 195 Cb 0.07 -3.67 0.35 0.00 1.34 0.00 0.00 72.50 70.59 3f9k s THR 195 CO 0.17 -0.44 1.75 -0.65 -0.54 0.00 0.00 174.62 174.91 3f9k h PRO 196 N 1.54 0.49 0.76 3.99 0.11 -1.76 0.13 132.00 137.26 3f9k h PRO 196 Ca -0.48 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 3f9k h PRO 196 Cb 1.18 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 32.19 3f9k h PRO 196 CO 0.63 0.32 -0.36 1.03 -0.21 0.00 0.00 178.00 179.41 3f9k h SER 197 N 0.50 -0.86 -0.71 -2.05 0.87 -1.75 -1.05 113.55 108.50 3f9k h SER 197 Ca 0.62 0.02 0.15 0.00 -1.23 0.00 0.00 61.79 61.35 3f9k h SER 197 Cb 1.35 0.22 -0.11 0.00 -0.44 0.00 0.00 62.40 63.42 3f9k h SER 197 CO -0.39 -0.59 0.13 -0.33 -0.53 0.00 0.00 176.83 175.12 3f9k h GLU 198 N -1.05 0.22 -0.02 2.24 5.08 -1.44 -0.17 114.58 119.43 3f9k h GLU 198 Ca -0.10 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3f9k h GLU 198 Cb 0.79 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 3f9k h GLU 198 CO 0.17 0.15 0.01 -0.09 -1.00 0.00 0.00 179.01 178.25 3f9k h ARG 199 N 0.23 0.02 0.17 2.33 2.43 -0.89 -0.49 114.38 118.18 3f9k h ARG 199 Ca 0.39 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 3f9k h ARG 199 Cb 0.66 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 3f9k h ARG 199 CO -0.52 0.06 -0.08 1.25 -1.51 0.00 0.00 179.97 179.17 3f9k h LEU 200 N -0.03 -0.19 -0.58 3.80 5.85 -0.43 -0.54 115.31 123.19 3f9k h LEU 200 Ca 0.01 -0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.76 3f9k h LEU 200 Cb 0.05 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 3f9k h LEU 200 CO -0.00 -0.10 0.27 0.40 -0.34 0.00 0.00 178.44 178.67 3f9k h ILE 201 N -0.28 0.88 -0.68 4.05 5.03 -1.03 -1.60 117.51 123.88 3f9k h ILE 201 Ca -0.02 -0.17 -0.02 0.00 -0.12 0.00 0.00 64.86 64.52 3f9k h ILE 201 Cb 0.22 0.34 -0.03 0.00 -3.03 0.00 0.00 36.82 34.31 3f9k h ILE 201 CO 0.04 0.09 0.34 -1.13 -0.68 0.00 0.00 178.15 176.81 3f9k h ASN 202 N 0.50 0.88 -0.68 1.72 -1.24 -0.87 -1.99 115.58 113.90 3f9k h ASN 202 Ca 0.28 -0.12 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 3f9k h ASN 202 Cb 0.25 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3f9k h ASN 202 CO -0.23 0.75 0.22 0.24 -1.29 0.00 0.00 177.43 177.13 3f9k h MET 203 N 0.94 1.08 -0.44 6.67 2.86 -0.67 -1.82 114.93 123.56 3f9k h MET 203 Ca 0.23 -0.22 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3f9k h MET 203 Cb 0.10 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3f9k h MET 203 CO -0.03 0.92 -0.02 0.82 1.06 0.00 0.00 176.91 179.66 3f9k h ILE 204 N 1.04 1.24 0.00 -1.22 2.04 -0.93 -2.80 117.51 116.88 3f9k h ILE 204 Ca 0.23 -0.99 -0.05 0.00 1.00 0.00 0.00 64.86 65.05 3f9k h ILE 204 Cb 0.29 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 3f9k h ILE 204 CO -0.01 0.34 -0.25 0.74 0.00 0.00 0.00 178.15 178.98 3f9k h THR 205 N 0.68 0.46 0.00 -0.27 2.02 -1.10 -3.27 112.91 111.43 3f9k h THR 205 Ca 0.13 -1.48 0.00 0.00 0.77 0.00 0.00 66.41 65.83 3f9k h THR 205 Cb 0.45 2.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 3f9k h THR 205 CO 0.02 0.24 0.00 0.41 0.37 0.00 0.00 175.52 176.56 3f9k n THR 206 N -3.21 0.14 0.47 3.16 -1.04 -0.71 -5.10 114.28 107.99 3f9k n THR 206 Ca 0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.09 3f9k n THR 206 Cb 0.58 -0.49 0.05 0.00 -1.82 0.00 0.00 70.33 68.64 3f9k n THR 206 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81