#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f9k h LEU 2 N 0.00 0.00 -1.83 7.52 -0.00 -2.04 -2.78 115.31 116.18 3f9k h LEU 2 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.88 57.96 3f9k h LEU 2 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3f9k h LEU 2 CO 0.00 0.00 0.48 -0.33 -0.00 0.00 0.00 178.44 178.59 3f9k h GLU 3 N 0.00 0.00 0.00 0.17 4.39 -2.04 -1.68 114.58 115.42 3f9k h GLU 3 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3f9k h GLU 3 Cb 0.66 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.31 3f9k h GLU 3 CO 0.00 0.00 -1.47 1.63 -1.16 0.00 0.00 179.01 178.01 3f9k n LYS 4 N -3.32 0.41 0.16 2.33 5.02 -1.05 -4.58 118.16 117.13 3f9k n LYS 4 Ca 0.05 -0.09 -0.13 0.00 -2.02 0.00 0.00 58.31 56.12 3f9k n LYS 4 Cb 0.61 -1.55 -0.08 0.00 -0.02 0.00 0.00 35.03 33.99 3f9k n LYS 4 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3f9k h ILE 5 N 0.00 0.69 -0.46 -0.18 5.03 -1.44 -2.49 117.51 118.66 3f9k h ILE 5 Ca 0.00 -0.58 0.08 0.00 -0.12 0.00 0.00 64.86 64.23 3f9k h ILE 5 Cb 0.81 0.98 -0.10 0.00 -3.03 0.00 0.00 36.82 35.49 3f9k h ILE 5 CO 0.00 0.11 -0.43 -0.33 -0.68 0.00 0.00 178.15 176.82 3f9k h GLU 6 N -0.75 -0.28 -0.73 2.37 4.39 -1.81 -2.11 114.58 115.66 3f9k h GLU 6 Ca -0.04 0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.63 3f9k h GLU 6 Cb 0.50 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3f9k h GLU 6 CO 0.07 -0.19 0.27 -1.35 -1.16 0.00 0.00 179.01 176.65 3f9k h PRO 7 N -0.29 1.09 -0.48 2.33 0.11 -1.82 -1.95 132.00 130.99 3f9k h PRO 7 Ca 0.15 -0.20 -0.03 0.00 0.11 0.00 0.00 66.00 66.03 3f9k h PRO 7 Cb 0.58 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.49 3f9k h PRO 7 CO -0.61 0.90 0.20 0.00 -0.21 0.00 0.00 178.00 178.28 3f9k h ALA 8 N 1.23 0.62 0.00 -0.75 0.00 -0.94 0.15 119.26 119.58 3f9k h ALA 8 Ca 0.24 -0.14 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3f9k h ALA 8 Cb 0.23 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 3f9k h ALA 8 CO -0.02 0.22 -0.86 -0.56 0.00 0.00 0.00 179.25 178.03 3f9k h GLN 9 N 0.63 0.00 -0.35 0.00 3.07 -1.35 -1.97 115.11 115.15 3f9k h GLN 9 Ca 0.16 -0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.92 3f9k h GLN 9 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.71 3f9k h GLN 9 CO -0.01 0.86 0.17 1.49 0.09 0.00 0.00 178.83 181.43 3f9k h GLU 10 N 0.00 0.34 -0.77 0.06 4.57 -1.16 -0.51 114.58 117.11 3f9k h GLU 10 Ca -0.01 -0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.18 3f9k h GLU 10 Cb 1.52 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.99 3f9k h GLU 10 CO 0.11 0.23 0.49 1.49 -1.18 0.00 0.00 179.01 180.15 3f9k h GLU 11 N 0.35 0.93 -0.24 1.92 4.57 -0.50 -2.41 114.58 119.20 3f9k h GLU 11 Ca 0.14 -0.06 -0.18 0.00 -1.18 0.00 0.00 59.36 58.09 3f9k h GLU 11 Cb 0.06 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.44 3f9k h GLU 11 CO -0.10 0.61 -0.57 1.25 -1.18 0.00 0.00 179.01 179.02 3f9k h HIS 12 N 0.95 1.03 -0.34 0.92 2.76 -1.11 -1.66 115.15 117.70 3f9k h HIS 12 Ca 0.31 -0.39 0.07 0.00 -2.20 0.00 0.00 60.37 58.16 3f9k h HIS 12 Cb 0.02 -0.18 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 3f9k h HIS 12 CO -0.03 1.21 0.23 0.93 -1.30 0.00 0.00 177.93 178.97 3f9k h GLU 13 N 0.55 0.14 0.03 5.26 5.08 -0.90 0.76 114.58 125.50 3f9k h GLU 13 Ca -0.00 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3f9k h GLU 13 Cb 1.18 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.41 3f9k h GLU 13 CO 0.12 0.09 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.76 3f9k h LYS 14 N 0.14 0.06 0.00 2.33 3.64 -1.19 -3.41 116.57 118.13 3f9k h LYS 14 Ca 0.15 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3f9k h LYS 14 Cb 0.43 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3f9k h LYS 14 CO -0.02 1.05 -0.92 0.66 -2.27 0.00 0.00 179.45 177.95 3f9k n TYR 15 N -4.50 0.00 -3.06 1.91 4.01 -0.65 -5.01 117.16 109.86 3f9k n TYR 15 Ca -0.12 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.45 3f9k n TYR 15 Cb 0.56 -0.04 0.04 0.00 -0.31 0.00 0.00 39.34 39.59 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 -1.48 -1.78 -1.59 -0.72 8.25 0.26 -4.92 115.22 113.25 3f9k n HIS 16 Ca -0.00 0.57 -0.48 0.00 -0.26 0.00 0.00 57.72 57.54 3f9k n HIS 16 Cb 0.05 -3.76 -0.04 0.00 1.12 0.00 0.00 29.99 27.36 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 -1.58 1.47 -3.74 0.41 7.64 -1.26 -4.97 113.62 111.60 3f9k n SER 17 Ca -0.04 1.14 -0.30 0.00 1.01 0.00 0.00 58.87 60.68 3f9k n SER 17 Cb 0.57 -1.23 0.24 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.03 1.18 0.07 6.43 2.20 -1.15 -4.74 114.94 118.96 3f9k s ASN 18 Ca 0.73 0.44 -0.35 0.00 -0.94 0.00 0.00 52.86 52.74 3f9k s ASN 18 Cb -0.83 -0.56 -0.19 0.00 -2.00 0.00 0.00 41.25 37.67 3f9k s ASN 18 CO 0.52 -3.95 1.59 0.58 -2.94 0.00 0.00 177.10 172.91 3f9k h VAL 19 N -2.47 0.15 -0.51 3.54 2.07 -1.91 -1.89 116.25 115.23 3f9k h VAL 19 Ca -0.43 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.17 3f9k h VAL 19 Cb 1.27 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 3f9k h VAL 19 CO 0.30 0.00 0.35 0.11 0.02 0.00 0.00 177.57 178.35 3f9k h LYS 20 N -1.07 0.34 -0.06 1.57 1.57 -1.94 -1.29 116.57 115.69 3f9k h LYS 20 Ca -0.10 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3f9k h LYS 20 Cb 0.86 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 3f9k h LYS 20 CO 0.11 0.23 -0.10 1.49 -0.57 0.00 0.00 179.45 180.61 3f9k h GLU 21 N 0.35 0.17 -0.43 3.15 4.57 -1.75 -2.25 114.58 118.39 3f9k h GLU 21 Ca 0.23 -0.11 0.05 0.00 -1.18 0.00 0.00 59.36 58.36 3f9k h GLU 21 Cb 0.46 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 29.01 3f9k h GLU 21 CO -0.06 0.67 0.16 -0.07 -1.18 0.00 0.00 179.01 178.53 3f9k h LEU 22 N -0.31 0.17 -0.28 1.64 3.38 -0.50 0.32 115.31 119.73 3f9k h LEU 22 Ca 0.00 0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.08 3f9k h LEU 22 Cb 0.66 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.39 3f9k h LEU 22 CO 0.02 0.13 -0.04 0.28 0.09 0.00 0.00 178.44 178.93 3f9k h SER 23 N 0.33 -0.19 -0.12 -0.43 0.02 -1.33 -2.30 113.55 109.51 3f9k h SER 23 Ca 0.20 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.21 3f9k h SER 23 Cb 0.19 0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3f9k h SER 23 CO -0.20 -0.06 0.02 -0.74 -1.14 0.00 0.00 176.83 174.71 3f9k h HIS 24 N 0.04 0.22 -0.69 3.45 -0.00 -0.72 0.21 115.15 117.66 3f9k h HIS 24 Ca 0.14 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.44 3f9k h HIS 24 Cb 0.20 -0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.51 3f9k h HIS 24 CO -0.25 0.40 0.27 -0.22 -0.00 0.00 0.00 177.93 178.13 3f9k h LYS 25 N -0.02 1.02 -0.00 5.26 1.63 -0.32 -3.32 116.57 120.82 3f9k h LYS 25 Ca 0.04 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.66 3f9k h LYS 25 Cb 0.29 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 3f9k h LYS 25 CO 0.00 0.83 -0.25 1.19 -3.45 0.00 0.00 179.45 177.78 3f9k n PHE 26 N -4.29 0.00 -1.66 1.91 3.72 -0.87 -5.00 117.46 111.26 3f9k n PHE 26 Ca 0.06 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.36 3f9k n PHE 26 Cb 0.18 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.11 0.69 3.82 1.37 0.00 0.73 -5.01 105.19 107.90 3f9k n GLY 27 Ca 0.01 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 3f9k n GLY 27 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3f9k s ILE 28 N -2.44 4.50 0.53 -0.61 -4.36 -1.19 -4.95 121.20 112.67 3f9k s ILE 28 Ca 0.00 1.32 -0.22 0.00 -0.26 0.00 0.00 60.65 61.49 3f9k s ILE 28 Cb 0.00 -3.77 -0.05 0.00 1.25 0.00 0.00 42.46 39.89 3f9k s ILE 28 CO 0.00 -0.01 1.36 -2.84 0.24 0.00 0.00 174.94 173.69 3f9k s PRO 29 N -2.49 3.23 0.26 0.37 0.02 -1.26 -4.43 135.00 130.70 3f9k s PRO 29 Ca 0.51 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.76 3f9k s PRO 29 Cb -0.14 -2.31 0.53 0.00 0.02 0.00 0.00 34.50 32.60 3f9k s PRO 29 CO 0.19 -1.13 1.74 -0.97 -0.33 0.00 0.00 177.00 176.51 3f9k h ASN 30 N 1.58 0.43 -0.52 2.53 -1.24 -1.97 -1.78 115.58 114.62 3f9k h ASN 30 Ca -0.51 0.10 -0.07 0.00 0.71 0.00 0.00 56.30 56.53 3f9k h ASN 30 Cb 1.29 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.37 3f9k h ASN 30 CO 0.58 0.16 0.05 -0.07 -1.29 0.00 0.00 177.43 176.86 3f9k h LEU 31 N 0.54 0.89 -0.59 0.34 -0.00 -1.99 -0.04 115.31 114.47 3f9k h LEU 31 Ca 0.46 -0.21 -0.07 0.00 -0.00 0.00 0.00 57.88 58.06 3f9k h LEU 31 Cb 0.69 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.09 3f9k h LEU 31 CO -0.39 0.92 0.09 0.58 -0.00 0.00 0.00 178.44 179.63 3f9k h VAL 32 N 0.87 1.26 -0.28 1.22 2.07 -1.71 -1.43 116.25 118.25 3f9k h VAL 32 Ca 0.17 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3f9k h VAL 32 Cb 0.44 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3f9k h VAL 32 CO 0.02 0.37 0.13 0.00 0.02 0.00 0.00 177.57 178.10 3f9k h ALA 33 N 1.01 0.36 -0.89 1.67 0.00 -1.02 -2.61 119.26 117.79 3f9k h ALA 33 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3f9k h ALA 33 Cb 0.43 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 3f9k h ALA 33 CO 0.01 -0.07 0.57 -0.09 0.00 0.00 0.00 179.25 179.67 3f9k h ARG 34 N 0.32 1.05 -0.62 0.00 2.43 -0.81 -2.46 114.38 114.28 3f9k h ARG 34 Ca 0.10 -0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.11 3f9k h ARG 34 Cb 0.13 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 3f9k h ARG 34 CO -0.01 0.70 0.04 -0.56 -1.51 0.00 0.00 179.97 178.63 3f9k h GLN 35 N 1.08 1.06 -0.63 0.20 -0.00 -1.11 -1.02 115.11 114.70 3f9k h GLN 35 Ca 0.36 -0.31 -0.02 0.00 -0.00 0.00 0.00 58.65 58.68 3f9k h GLN 35 Cb 0.05 -0.11 -0.03 0.00 -0.00 0.00 0.00 27.48 27.39 3f9k h GLN 35 CO -0.13 1.01 0.32 0.82 -0.00 0.00 0.00 178.83 180.85 3f9k h ILE 36 N 0.98 1.21 -0.28 1.86 2.04 -1.07 -0.16 117.51 122.10 3f9k h ILE 36 Ca 0.18 -0.57 -0.13 0.00 1.00 0.00 0.00 64.86 65.35 3f9k h ILE 36 Cb 0.50 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3f9k h ILE 36 CO 0.02 0.24 -0.33 0.58 0.00 0.00 0.00 178.15 178.66 3f9k h VAL 37 N 0.87 1.30 -0.50 1.67 2.07 -1.29 -3.18 116.25 117.19 3f9k h VAL 37 Ca 0.22 -1.51 -0.07 0.00 0.82 0.00 0.00 66.70 66.17 3f9k h VAL 37 Cb 0.08 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3f9k h VAL 37 CO -0.03 0.48 0.05 0.78 0.02 0.00 0.00 177.57 178.87 3f9k h ASN 38 N 0.44 0.82 0.00 0.57 2.35 -1.01 -2.27 115.58 116.48 3f9k h ASN 38 Ca 0.04 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3f9k h ASN 38 Cb 0.90 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 39.06 3f9k h ASN 38 CO 0.08 0.89 0.00 -1.54 -1.65 0.00 0.00 177.43 175.21 3f9k n SER 39 N -4.38 0.00 -4.74 5.81 3.41 -0.09 -4.73 113.62 108.91 3f9k n SER 39 Ca 0.01 -0.87 -0.37 0.00 -0.26 0.00 0.00 58.87 57.37 3f9k n SER 39 Cb 0.28 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.17 3f9k n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3f9k h ALA 41 N 6.48 1.25 -0.62 0.00 0.00 -1.86 -2.87 119.26 121.63 3f9k h ALA 41 Ca -0.42 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3f9k h ALA 41 Cb 1.18 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3f9k h ALA 41 CO 0.74 0.14 0.00 1.04 0.00 0.00 0.00 179.25 181.17 3f9k n GLN 42 N -4.71 3.80 -4.19 0.00 3.00 -1.26 -5.20 117.38 108.82 3f9k n GLN 42 Ca 0.15 -2.81 -0.15 0.00 -0.01 0.00 0.00 57.00 54.18 3f9k n GLN 42 Cb 0.28 -1.93 -0.11 0.00 0.00 0.00 0.00 30.24 28.49 3f9k n GLN 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3f9k n VAL 54 N 0.45 0.00 -3.69 0.00 0.31 -1.23 -5.01 118.33 109.15 3f9k n VAL 54 Ca -0.15 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 63.89 3f9k n VAL 54 Cb 0.58 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.39 3f9k n VAL 54 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3f9k s ASN 55 N 0.11 3.46 0.22 4.52 2.47 -1.26 -4.74 114.94 119.72 3f9k s ASN 55 Ca 0.00 -3.00 0.05 0.00 0.42 0.00 0.00 52.86 50.33 3f9k s ASN 55 Cb 0.00 -1.05 -0.02 0.00 -1.45 0.00 0.00 41.25 38.73 3f9k s ASN 55 CO 0.00 -0.21 0.18 0.00 -3.72 0.00 0.00 177.10 173.35 3f9k n ALA 56 N 3.04 0.46 -1.76 1.71 0.00 -1.26 -5.06 120.51 117.64 3f9k n ALA 56 Ca 0.16 -1.29 -0.37 0.00 0.00 0.00 0.00 53.44 51.94 3f9k n ALA 56 Cb 0.37 1.02 0.02 0.00 0.00 0.00 0.00 19.45 20.87 3f9k n ALA 56 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3f9k s GLU 57 N -2.90 3.29 0.41 0.00 2.56 -1.26 -4.76 118.70 116.04 3f9k s GLU 57 Ca 0.25 1.93 0.10 0.00 0.00 0.00 0.00 54.97 57.24 3f9k s GLU 57 Cb 0.01 -2.18 0.88 0.00 2.00 0.00 0.00 34.13 34.83 3f9k s GLU 57 CO 0.18 -0.98 1.99 1.25 -0.56 0.00 0.00 175.26 177.14 3f9k h LEU 58 N 1.44 0.27 -0.36 2.70 5.85 -1.98 -2.88 115.31 120.35 3f9k h LEU 58 Ca -0.50 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.19 3f9k h LEU 58 Cb 1.28 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3f9k h LEU 58 CO 0.57 0.32 -0.08 0.61 -0.34 0.00 0.00 178.44 179.52 3f9k n GLY 59 N -1.15 -0.74 3.68 3.75 0.00 -1.26 -4.90 105.19 104.57 3f9k n GLY 59 Ca 0.00 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.30 5.00 0.12 2.61 2.01 -1.09 -0.69 115.64 121.32 3f9k s THR 60 Ca 0.34 1.35 0.07 0.00 0.31 0.00 0.00 61.69 63.75 3f9k s THR 60 Cb 0.20 -4.01 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 3f9k s THR 60 CO 0.43 0.14 -0.16 0.26 -0.69 0.00 0.00 174.62 174.60 3f9k s TRP 61 N 1.60 1.55 -0.05 4.92 0.52 -0.13 -2.86 118.94 124.50 3f9k s TRP 61 Ca 0.33 -0.50 0.06 0.00 0.02 0.00 0.00 56.10 56.01 3f9k s TRP 61 Cb -0.16 -0.82 -0.02 0.00 -1.15 0.00 0.00 33.47 31.32 3f9k s TRP 61 CO 0.13 0.19 -0.23 -0.65 0.02 0.00 0.00 176.95 176.41 3f9k s GLN 62 N -2.45 2.45 0.15 4.98 -0.21 -0.12 -1.01 119.66 123.45 3f9k s GLN 62 Ca 0.09 -0.87 0.11 0.00 0.02 0.00 0.00 55.36 54.71 3f9k s GLN 62 Cb -0.07 -2.18 -0.04 0.00 1.00 0.00 0.00 33.01 31.72 3f9k s GLN 62 CO 0.04 0.47 -0.26 1.41 -2.12 0.00 0.00 175.29 174.83 3f9k s MET 63 N -0.36 1.43 0.16 2.91 1.75 -1.05 -0.12 119.30 124.02 3f9k s MET 63 Ca 0.03 -1.40 -0.24 0.00 -1.25 0.00 0.00 55.69 52.82 3f9k s MET 63 Cb -0.12 -1.87 0.06 0.00 2.84 0.00 0.00 34.83 35.74 3f9k s MET 63 CO 0.02 0.43 0.88 0.34 -0.65 0.00 0.00 175.02 176.04 3f9k s ASP 64 N -2.24 -0.23 0.07 1.11 2.15 0.34 -4.47 116.67 113.40 3f9k s ASP 64 Ca 0.16 -0.38 0.08 0.00 0.43 0.00 0.00 52.55 52.83 3f9k s ASP 64 Cb -0.09 0.53 -0.04 0.00 -0.30 0.00 0.00 42.92 43.02 3f9k s ASP 64 CO 0.07 -0.97 -0.18 0.00 -0.17 0.00 0.00 175.17 173.93 3f9k s THR 66 N -1.01 0.18 0.03 0.00 -1.32 0.01 -5.00 115.64 108.53 3f9k s THR 66 Ca 0.16 -1.67 0.07 0.00 -1.21 0.00 0.00 61.69 59.05 3f9k s THR 66 Cb -0.11 -1.59 -0.02 0.00 -1.51 0.00 0.00 72.50 69.28 3f9k s THR 66 CO 0.07 -0.80 -0.22 -1.00 -2.21 0.00 0.00 174.62 170.47 3f9k s HIS 67 N -3.93 1.92 -0.19 9.09 3.76 -1.26 -0.51 115.29 124.16 3f9k s HIS 67 Ca 0.10 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 54.54 3f9k s HIS 67 Cb 0.07 -1.16 0.07 0.00 1.11 0.00 0.00 32.58 32.67 3f9k s HIS 67 CO -0.08 0.07 0.44 -1.17 -0.85 0.00 0.00 174.74 173.16 3f9k s LEU 68 N -1.04 -0.40 -1.59 0.89 0.20 -0.64 -4.91 118.68 111.19 3f9k s LEU 68 Ca 0.08 1.00 -0.12 0.00 0.69 0.00 0.00 54.13 55.78 3f9k s LEU 68 Cb -0.09 1.46 0.10 0.00 -0.43 0.00 0.00 46.19 47.23 3f9k s LEU 68 CO 0.01 -0.21 0.71 -0.62 -0.29 0.00 0.00 176.35 175.95 3f9k n GLU 69 N 4.73 -3.56 -0.88 1.98 1.02 -1.26 -0.56 120.64 122.11 3f9k n GLU 69 Ca -0.17 0.41 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 3f9k n GLU 69 Cb 0.53 -4.99 0.00 0.00 -0.02 0.00 0.00 31.44 26.96 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 -1.62 0.41 3.92 0.62 0.00 -1.26 -5.00 105.19 102.26 3f9k n GLY 70 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.68 3.49 -0.30 1.61 3.01 0.28 -5.09 119.74 122.06 3f9k s LYS 71 Ca 0.00 -0.37 -0.13 0.00 -1.01 0.00 0.00 55.97 54.46 3f9k s LYS 71 Cb 0.00 -2.96 -0.04 0.00 -1.01 0.00 0.00 37.83 33.82 3f9k s LYS 71 CO 0.00 0.54 0.28 0.42 0.51 0.00 0.00 175.35 177.10 3f9k s ILE 72 N -1.61 5.25 -0.21 2.17 1.01 -1.26 -1.62 121.20 124.92 3f9k s ILE 72 Ca 0.37 0.21 -0.06 0.00 0.00 0.00 0.00 60.65 61.16 3f9k s ILE 72 Cb -0.12 -3.65 -0.03 0.00 0.01 0.00 0.00 42.46 38.67 3f9k s ILE 72 CO 0.27 0.13 0.02 -0.63 0.00 0.00 0.00 174.94 174.74 3f9k s ILE 73 N 1.88 4.11 -0.03 2.92 1.01 0.33 -0.91 121.20 130.52 3f9k s ILE 73 Ca 0.10 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 3f9k s ILE 73 Cb -0.16 -2.87 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 3f9k s ILE 73 CO 0.11 0.41 0.35 -0.51 0.00 0.00 0.00 174.94 175.29 3f9k s ILE 74 N 1.11 5.14 -0.04 2.92 2.07 0.33 -0.80 121.20 131.92 3f9k s ILE 74 Ca 0.03 0.70 0.01 0.00 -1.41 0.00 0.00 60.65 59.98 3f9k s ILE 74 Cb -0.14 -3.64 0.02 0.00 0.13 0.00 0.00 42.46 38.82 3f9k s ILE 74 CO 0.02 0.59 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.90 3f9k s VAL 75 N -1.07 0.52 -0.03 4.00 1.01 0.61 -1.92 120.40 123.51 3f9k s VAL 75 Ca 0.22 -0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.13 3f9k s VAL 75 Cb -0.16 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.67 3f9k s VAL 75 CO 0.11 0.21 -0.22 0.00 0.00 0.00 0.00 175.10 175.21 3f9k s ALA 76 N 0.81 1.88 -0.09 5.51 0.00 0.84 -0.50 121.76 130.21 3f9k s ALA 76 Ca -0.11 -0.94 0.02 0.00 0.00 0.00 0.00 51.96 50.94 3f9k s ALA 76 Cb -0.14 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.47 3f9k s ALA 76 CO 0.00 0.42 -0.15 0.08 0.00 0.00 0.00 175.76 176.11 3f9k s VAL 77 N -0.34 1.41 -0.55 0.00 1.01 0.83 -0.75 120.40 122.01 3f9k s VAL 77 Ca 0.04 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 3f9k s VAL 77 Cb -0.10 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3f9k s VAL 77 CO 0.01 0.42 1.35 -2.28 0.00 0.00 0.00 175.10 174.60 3f9k s HIS 78 N 0.76 2.39 0.23 5.22 2.46 0.40 -0.94 115.29 125.80 3f9k s HIS 78 Ca -0.12 0.48 -0.06 0.00 0.47 0.00 0.00 55.06 55.83 3f9k s HIS 78 Cb -0.16 -4.42 0.33 0.00 -0.13 0.00 0.00 32.58 28.21 3f9k s HIS 78 CO 0.02 -1.86 1.81 0.28 -2.47 0.00 0.00 174.74 172.52 3f9k h VAL 79 N 6.33 0.94 -0.57 0.89 2.07 -1.84 0.16 116.25 124.23 3f9k h VAL 79 Ca -0.26 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 66.89 3f9k h VAL 79 Cb 1.08 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3f9k h VAL 79 CO 1.17 0.14 -0.06 0.00 0.02 0.00 0.00 177.57 178.84 3f9k h ALA 80 N 1.41 0.82 0.00 1.67 0.00 -1.81 -3.28 119.26 118.08 3f9k h ALA 80 Ca 0.36 -0.33 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 3f9k h ALA 80 Cb 0.28 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3f9k h ALA 80 CO -0.22 0.67 -2.23 -1.13 0.00 0.00 0.00 179.25 176.33 3f9k n SER 81 N -4.16 0.08 0.00 0.00 3.41 -0.95 -3.72 113.62 108.28 3f9k n SER 81 Ca 0.02 0.03 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 3f9k n SER 81 Cb 0.38 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 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 1.62 0.73 3.74 5.00 0.00 0.52 -4.70 105.19 112.10 3f9k n GLY 82 Ca -0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.40 3.02 0.12 1.61 5.36 -1.24 -4.82 117.98 119.63 3f9k s PHE 83 Ca 0.00 0.97 0.11 0.00 -0.96 0.00 0.00 56.93 57.04 3f9k s PHE 83 Cb 0.00 -3.84 -0.04 0.00 -0.34 0.00 0.00 43.02 38.81 3f9k s PHE 83 CO 0.00 -2.77 -0.26 0.96 -1.46 0.00 0.00 175.22 171.68 3f9k s ILE 84 N 0.17 2.19 -0.03 3.12 -4.36 -1.26 -0.46 121.20 120.57 3f9k s ILE 84 Ca 0.61 -1.69 0.05 0.00 -0.26 0.00 0.00 60.65 59.36 3f9k s ILE 84 Cb -0.42 -1.93 -0.01 0.00 1.25 0.00 0.00 42.46 41.35 3f9k s ILE 84 CO 0.42 0.12 -0.19 -1.61 0.24 0.00 0.00 174.94 173.91 3f9k s GLU 85 N -1.93 1.80 0.03 0.37 0.41 0.07 -4.93 118.70 114.51 3f9k s GLU 85 Ca 0.13 -0.67 -0.17 0.00 -0.41 0.00 0.00 54.97 53.85 3f9k s GLU 85 Cb -0.10 -1.61 0.03 0.00 -1.78 0.00 0.00 34.13 30.67 3f9k s GLU 85 CO 0.05 0.32 0.37 0.00 -0.49 0.00 0.00 175.26 175.52 3f9k s ALA 86 N -0.16 -0.90 -0.07 5.21 0.00 -1.26 -0.11 121.76 124.46 3f9k s ALA 86 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 3f9k s ALA 86 Cb -0.10 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.37 3f9k s ALA 86 CO 0.01 -0.40 0.76 -2.00 0.00 0.00 0.00 175.76 174.13 3f9k s GLU 87 N -2.23 0.94 -0.08 0.00 2.12 -0.81 -4.74 118.70 113.91 3f9k s GLU 87 Ca -0.07 0.21 -0.22 0.00 0.36 0.00 0.00 54.97 55.25 3f9k s GLU 87 Cb -0.02 0.44 -0.04 0.00 0.26 0.00 0.00 34.13 34.78 3f9k s GLU 87 CO -0.01 -0.30 0.64 0.08 -0.54 0.00 0.00 175.26 175.13 3f9k s VAL 88 N -1.23 5.08 0.01 3.70 1.01 -1.26 -0.52 120.40 127.19 3f9k s VAL 88 Ca -0.08 1.31 0.06 0.00 0.00 0.00 0.00 61.98 63.27 3f9k s VAL 88 Cb -0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3f9k s VAL 88 CO 0.07 0.28 -0.16 0.27 0.00 0.00 0.00 175.10 175.56 3f9k s ILE 89 N 0.71 2.96 0.22 2.22 -4.36 -0.09 -4.95 121.20 117.91 3f9k s ILE 89 Ca 0.34 -1.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.65 3f9k s ILE 89 Cb -0.17 -2.22 0.17 0.00 1.25 0.00 0.00 42.46 41.48 3f9k s ILE 89 CO 0.16 0.42 1.83 1.55 0.24 0.00 0.00 174.94 179.15 3f9k h PRO 90 N 4.79 0.80 -3.44 0.37 0.13 -1.98 -3.37 132.00 129.29 3f9k h PRO 90 Ca -0.47 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.49 3f9k h PRO 90 Cb 1.15 -0.18 -0.18 0.00 0.13 0.00 0.00 31.00 31.92 3f9k h PRO 90 CO 0.49 0.53 -0.38 1.14 -0.23 0.00 0.00 178.00 179.55 3f9k s GLN 91 N -6.09 0.66 0.00 0.86 0.00 -1.26 -4.93 119.66 108.89 3f9k s GLN 91 Ca -0.13 -0.50 -0.04 0.00 -0.00 0.00 0.00 55.36 54.69 3f9k s GLN 91 Cb 0.17 0.28 -0.17 0.00 0.00 0.00 0.00 33.01 33.28 3f9k s GLN 91 CO 0.77 -0.18 2.68 -1.91 0.00 0.00 0.00 175.29 176.65 3f9k n GLU 92 N 0.93 1.41 -2.60 9.60 2.13 -1.26 -4.70 120.64 126.15 3f9k n GLU 92 Ca -0.20 -0.63 -0.25 0.00 0.66 0.00 0.00 57.16 56.73 3f9k n GLU 92 Cb 0.58 -1.74 0.02 0.00 0.27 0.00 0.00 31.44 30.57 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 2.17 5.68 0.20 4.31 1.04 -1.26 -4.58 113.70 121.27 3f9k s SER 93 Ca 0.42 0.57 -0.11 0.00 0.48 0.00 0.00 55.95 57.31 3f9k s SER 93 Cb 0.20 -1.65 0.15 0.00 0.10 0.00 0.00 66.02 64.83 3f9k s SER 93 CO 0.00 -0.93 1.86 1.23 0.98 0.00 0.00 173.24 176.38 3f9k h GLY 94 N 0.03 0.98 0.89 7.32 0.00 -1.89 -2.64 103.07 107.77 3f9k h GLY 94 Ca -0.46 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 3f9k h GLY 94 CO 0.59 0.32 0.07 -0.09 0.00 0.00 0.00 176.54 177.43 3f9k h ARG 95 N 0.90 0.23 -0.67 4.80 2.43 -1.94 0.21 114.38 120.33 3f9k h ARG 95 Ca 0.26 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3f9k h ARG 95 Cb -0.06 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 3f9k h ARG 95 CO -0.08 0.29 0.40 1.96 -1.51 0.00 0.00 179.97 181.03 3f9k h GLN 96 N 0.11 0.91 0.19 0.20 1.08 -1.83 0.20 115.11 115.98 3f9k h GLN 96 Ca 0.05 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3f9k h GLN 96 Cb 0.15 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.39 3f9k h GLN 96 CO -0.01 0.65 -0.09 1.15 -0.95 0.00 0.00 178.83 179.58 3f9k h THR 97 N 0.93 0.91 -0.84 -0.54 2.02 -1.24 -1.45 112.91 112.69 3f9k h THR 97 Ca 0.24 -0.50 0.11 0.00 0.77 0.00 0.00 66.41 67.04 3f9k h THR 97 Cb -0.02 1.20 -0.08 0.00 -1.74 0.00 0.00 68.15 67.51 3f9k h THR 97 CO -0.04 0.11 0.47 0.00 0.37 0.00 0.00 175.52 176.43 3f9k h ALA 98 N 0.26 1.23 -0.44 6.16 0.00 -0.33 0.95 119.26 127.09 3f9k h ALA 98 Ca -0.03 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3f9k h ALA 98 Cb 0.38 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3f9k h ALA 98 CO 0.04 0.04 0.26 -0.07 0.00 0.00 0.00 179.25 179.53 3f9k h LEU 99 N 0.75 0.54 -0.63 0.00 4.07 -0.57 -1.30 115.31 118.16 3f9k h LEU 99 Ca 0.42 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.32 3f9k h LEU 99 Cb 0.46 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 42.04 3f9k h LEU 99 CO -0.28 0.44 0.39 0.15 -1.08 0.00 0.00 178.44 178.06 3f9k h PHE 100 N 0.58 0.81 -0.43 1.13 3.57 -0.07 -2.04 116.94 120.50 3f9k h PHE 100 Ca 0.16 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.68 3f9k h PHE 100 Cb 0.01 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.45 3f9k h PHE 100 CO -0.03 0.54 0.26 1.25 -2.23 0.00 0.00 178.31 178.10 3f9k h LEU 101 N 0.85 0.43 -0.92 0.59 6.46 -0.64 -1.37 115.31 120.71 3f9k h LEU 101 Ca 0.23 -0.00 0.05 0.00 -0.12 0.00 0.00 57.88 58.04 3f9k h LEU 101 Cb -0.06 -0.09 -0.06 0.00 -0.73 0.00 0.00 40.66 39.72 3f9k h LEU 101 CO -0.05 0.31 0.59 -0.07 -0.62 0.00 0.00 178.44 178.60 3f9k h LEU 102 N 0.53 0.95 0.31 2.25 3.38 -0.83 0.14 115.31 122.03 3f9k h LEU 102 Ca 0.17 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3f9k h LEU 102 Cb -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3f9k h LEU 102 CO -0.07 0.62 -0.15 0.11 0.09 0.00 0.00 178.44 179.04 3f9k h LYS 103 N 1.09 -0.40 -0.45 1.13 1.57 -0.97 -1.16 116.57 117.39 3f9k h LYS 103 Ca 0.39 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.28 3f9k h LYS 103 Cb 0.12 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.45 3f9k h LYS 103 CO -0.16 -0.25 0.00 1.25 -0.57 0.00 0.00 179.45 179.72 3f9k h LEU 104 N -0.42 -0.18 -1.43 2.94 5.85 -0.59 -1.79 115.31 119.69 3f9k h LEU 104 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3f9k h LEU 104 Cb 0.32 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.54 3f9k h LEU 104 CO 0.07 -0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 3f9k h ALA 105 N 1.39 1.00 0.00 1.25 0.00 -0.56 -1.77 119.26 120.57 3f9k h ALA 105 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3f9k h ALA 105 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3f9k h ALA 105 CO -0.37 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 3f9k n SER 106 N -2.97 0.00 -0.01 0.00 3.41 -0.45 -4.15 113.62 109.44 3f9k n SER 106 Ca 0.01 0.14 -0.03 0.00 -0.26 0.00 0.00 58.87 58.72 3f9k n SER 106 Cb 0.28 -0.37 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 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 -1.37 0.07 -4.25 4.33 1.74 -0.89 -5.09 116.66 111.19 3f9k n ARG 107 Ca 0.11 0.02 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3f9k n ARG 107 Cb 0.27 -0.81 -0.09 0.00 -1.02 0.00 0.00 32.46 30.81 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 -2.06 2.73 -1.21 -1.55 0.52 -0.72 -5.04 118.94 111.61 3f9k s TRP 108 Ca -0.04 -0.18 -0.20 0.00 0.02 0.00 0.00 56.10 55.69 3f9k s TRP 108 Cb 0.01 -1.34 0.02 0.00 -1.15 0.00 0.00 33.47 31.02 3f9k s TRP 108 CO 0.06 0.51 1.75 -2.14 0.02 0.00 0.00 176.95 177.15 3f9k s PRO 109 N -2.82 3.49 -0.06 4.98 0.02 -1.26 -4.57 135.00 134.78 3f9k s PRO 109 Ca 0.26 -1.57 -0.28 0.00 0.02 0.00 0.00 61.00 59.42 3f9k s PRO 109 Cb -0.09 -5.42 -0.02 0.00 0.02 0.00 0.00 34.50 28.99 3f9k s PRO 109 CO 0.16 -2.72 0.91 0.42 -0.33 0.00 0.00 177.00 175.44 3f9k s ILE 110 N 6.29 4.88 -0.13 2.83 1.01 -1.26 -4.51 121.20 130.31 3f9k s ILE 110 Ca 0.57 1.88 0.03 0.00 0.00 0.00 0.00 60.65 63.13 3f9k s ILE 110 Cb 0.02 -4.24 -0.10 0.00 0.01 0.00 0.00 42.46 38.15 3f9k s ILE 110 CO 0.06 0.12 -0.09 0.41 0.00 0.00 0.00 174.94 175.44 3f9k n THR 111 N 4.15 0.78 -3.72 2.92 -1.04 0.14 -4.75 114.28 112.76 3f9k n THR 111 Ca 0.05 -0.33 -0.15 0.00 -2.04 0.00 0.00 64.05 61.58 3f9k n THR 111 Cb 0.50 -0.94 -0.15 0.00 -1.82 0.00 0.00 70.33 67.93 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 -2.27 -0.16 -0.11 -1.42 5.65 -0.49 -0.71 115.29 115.79 3f9k s HIS 112 Ca -0.16 0.51 -0.00 0.00 0.25 0.00 0.00 55.06 55.65 3f9k s HIS 112 Cb 0.04 -0.16 -0.02 0.00 -1.18 0.00 0.00 32.58 31.26 3f9k s HIS 112 CO 0.34 -0.20 -0.09 -1.17 -0.65 0.00 0.00 174.74 172.98 3f9k s LEU 113 N 1.56 2.99 -0.09 8.88 0.20 0.93 -0.95 118.68 132.21 3f9k s LEU 113 Ca -0.05 -0.17 0.02 0.00 0.69 0.00 0.00 54.13 54.62 3f9k s LEU 113 Cb -0.12 -1.67 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3f9k s LEU 113 CO -0.06 0.25 -0.14 -2.28 -0.29 0.00 0.00 176.35 173.84 3f9k s HIS 114 N -0.13 1.70 0.21 5.38 5.65 -0.18 -1.04 115.29 126.89 3f9k s HIS 114 Ca 0.01 -0.72 -0.00 0.00 0.25 0.00 0.00 55.06 54.60 3f9k s HIS 114 Cb -0.13 -1.24 -0.04 0.00 -1.18 0.00 0.00 32.58 29.98 3f9k s HIS 114 CO 0.03 -0.37 0.15 0.95 -0.65 0.00 0.00 174.74 174.84 3f9k s THR 115 N 0.85 0.00 0.41 0.89 -4.23 -0.92 -2.52 115.64 110.12 3f9k s THR 115 Ca -0.10 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.34 3f9k s THR 115 Cb -0.15 -2.50 0.10 0.00 1.34 0.00 0.00 72.50 71.29 3f9k s THR 115 CO 0.01 0.00 0.39 -0.90 -0.54 0.00 0.00 174.62 173.58 3f9k n ASP 116 N -0.39 -1.22 -1.14 3.99 5.68 -1.26 -1.44 116.55 120.76 3f9k n ASP 116 Ca 0.02 -0.78 0.06 0.00 -0.50 0.00 0.00 54.79 53.60 3f9k n ASP 116 Cb 0.66 -0.35 0.24 0.00 -1.14 0.00 0.00 41.12 40.53 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 -3.60 3.32 -4.47 -1.12 4.13 -1.26 -4.61 115.26 107.64 3f9k n ASN 117 Ca 0.05 -2.28 -0.53 0.00 1.68 0.00 0.00 54.58 53.51 3f9k n ASN 117 Cb 0.20 -0.46 -0.05 0.00 -1.54 0.00 0.00 39.78 37.93 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 0.90 -0.86 0.36 7.41 0.00 -1.26 -4.65 105.19 107.08 3f9k n GLY 118 Ca 0.17 0.55 0.19 0.00 0.00 0.00 0.00 46.02 46.93 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 2.19 1.88 -0.82 4.61 0.00 -1.94 0.91 119.26 126.09 3f9k h ALA 119 Ca -0.40 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 3f9k h ALA 119 Cb 1.42 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 19.20 3f9k h ALA 119 CO 0.62 -0.35 0.41 -2.95 0.00 0.00 0.00 179.25 176.98 3f9k h ASN 120 N 0.54 1.05 0.90 0.00 -1.07 -1.87 -1.71 115.58 113.41 3f9k h ASN 120 Ca 0.64 -0.12 -0.14 0.00 0.07 0.00 0.00 56.30 56.75 3f9k h ASN 120 Cb 1.31 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 37.27 3f9k h ASN 120 CO -0.45 0.88 -0.67 -0.26 0.07 0.00 0.00 177.43 177.00 3f9k h PHE 121 N 1.15 0.00 -0.62 4.14 0.04 -1.16 -2.75 116.94 117.74 3f9k h PHE 121 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 3f9k h PHE 121 Cb 0.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.24 3f9k h PHE 121 CO 0.01 0.67 0.00 0.25 -0.60 0.00 0.00 178.31 178.64 3f9k n THR 122 N -3.53 1.43 -1.17 -1.55 -2.24 -0.89 -4.80 114.28 101.53 3f9k n THR 122 Ca -0.00 -1.02 -0.30 0.00 -2.27 0.00 0.00 64.05 60.46 3f9k n THR 122 Cb 0.71 0.20 0.14 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.90 3.38 0.13 3.42 1.04 -0.65 -4.90 113.70 115.22 3f9k s SER 123 Ca 0.46 1.50 -0.07 0.00 0.48 0.00 0.00 55.95 58.32 3f9k s SER 123 Cb 0.28 -2.18 -0.06 0.00 0.10 0.00 0.00 66.02 64.16 3f9k s SER 123 CO 0.25 -2.70 1.36 -0.61 0.98 0.00 0.00 173.24 172.52 3f9k h GLN 124 N -1.59 0.60 -0.24 4.02 5.75 -1.88 -2.59 115.11 119.19 3f9k h GLN 124 Ca -0.50 -0.51 -0.13 0.00 -0.15 0.00 0.00 58.65 57.37 3f9k h GLN 124 Cb 1.29 0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.93 3f9k h GLN 124 CO 0.54 1.13 -0.39 1.49 -2.65 0.00 0.00 178.83 178.95 3f9k h GLU 125 N 0.40 0.55 -0.46 1.69 4.81 -1.93 -2.42 114.58 117.22 3f9k h GLU 125 Ca -0.05 -0.27 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 3f9k h GLU 125 Cb 1.39 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.75 3f9k h GLU 125 CO 0.15 0.85 -0.03 0.28 -0.73 0.00 0.00 179.01 179.53 3f9k h VAL 126 N 0.45 1.27 -0.94 0.32 2.07 -1.77 -2.67 116.25 114.98 3f9k h VAL 126 Ca 0.04 -1.10 0.10 0.00 0.82 0.00 0.00 66.70 66.56 3f9k h VAL 126 Cb 0.87 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.62 3f9k h VAL 126 CO 0.07 0.38 0.60 0.50 0.02 0.00 0.00 177.57 179.15 3f9k h LYS 127 N 0.68 0.92 -0.00 1.57 3.64 -1.21 -0.45 116.57 121.71 3f9k h LYS 127 Ca 0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3f9k h LYS 127 Cb 0.54 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3f9k h LYS 127 CO 0.03 0.61 -0.00 0.52 -2.27 0.00 0.00 179.45 178.33 3f9k h MET 128 N 0.94 0.01 -0.45 1.90 2.86 -1.30 -0.77 114.93 118.12 3f9k h MET 128 Ca 0.44 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 58.14 3f9k h MET 128 Cb 0.41 -0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.02 3f9k h MET 128 CO -0.20 0.42 0.13 0.28 1.06 0.00 0.00 176.91 178.60 3f9k h VAL 129 N -0.40 0.82 -0.70 -2.22 2.07 -1.17 0.25 116.25 114.89 3f9k h VAL 129 Ca 0.00 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.48 3f9k h VAL 129 Cb 0.42 0.50 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3f9k h VAL 129 CO 0.00 0.05 0.40 0.00 0.02 0.00 0.00 177.57 178.05 3f9k h ALA 130 N 1.32 0.94 -0.43 1.67 0.00 -1.05 -1.18 119.26 120.52 3f9k h ALA 130 Ca 0.22 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.08 3f9k h ALA 130 Cb 0.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 3f9k h ALA 130 CO -0.25 0.10 0.04 2.35 0.00 0.00 0.00 179.25 181.49 3f9k h TRP 131 N 0.75 0.79 -0.25 0.00 7.01 0.04 0.55 115.95 124.83 3f9k h TRP 131 Ca 0.31 -0.12 -0.06 0.00 2.11 0.00 0.00 58.89 61.13 3f9k h TRP 131 Cb 0.17 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3f9k h TRP 131 CO -0.07 0.77 -0.08 2.35 -2.79 0.00 0.00 178.44 178.62 3f9k h TRP 132 N 0.59 0.57 -0.17 2.65 7.01 -0.10 -2.94 115.95 123.56 3f9k h TRP 132 Ca 0.13 -0.13 -0.17 0.00 2.11 0.00 0.00 58.89 60.83 3f9k h TRP 132 Cb 0.43 -0.14 -0.00 0.00 -2.10 0.00 0.00 29.16 27.34 3f9k h TRP 132 CO 0.03 0.74 -0.59 0.82 -2.79 0.00 0.00 178.44 176.65 3f9k h ILE 133 N 0.24 1.33 -0.57 2.65 1.08 -1.30 -3.48 117.51 117.46 3f9k h ILE 133 Ca 0.06 -1.86 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 3f9k h ILE 133 Cb 0.57 1.83 0.00 0.00 -3.07 0.00 0.00 36.82 36.15 3f9k h ILE 133 CO 0.03 0.58 0.00 0.61 -0.69 0.00 0.00 178.15 178.68 3f9k n GLY 134 N 0.33 0.74 3.30 5.37 0.00 0.08 -5.10 105.19 109.92 3f9k n GLY 134 Ca -0.04 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.90 2.49 0.12 -0.61 1.01 0.17 -4.79 121.20 117.69 3f9k s ILE 135 Ca 0.00 -0.88 -0.23 0.00 0.00 0.00 0.00 60.65 59.54 3f9k s ILE 135 Cb 0.00 -1.99 -0.07 0.00 0.01 0.00 0.00 42.46 40.41 3f9k s ILE 135 CO 0.00 0.55 0.70 -0.70 0.00 0.00 0.00 174.94 175.49 3f9k s GLU 136 N 0.19 4.43 0.01 2.79 2.12 0.11 -4.51 118.70 123.84 3f9k s GLU 136 Ca -0.12 0.99 0.03 0.00 0.36 0.00 0.00 54.97 56.24 3f9k s GLU 136 Cb -0.16 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 3f9k s GLU 136 CO 0.06 0.56 -0.06 -0.65 -0.54 0.00 0.00 175.26 174.63 3f9k s GLN 137 N -0.98 2.56 0.06 4.30 -0.21 -1.26 -0.05 119.66 124.08 3f9k s GLN 137 Ca 0.34 -0.72 0.01 0.00 0.02 0.00 0.00 55.36 55.01 3f9k s GLN 137 Cb -0.21 -2.51 -0.03 0.00 1.00 0.00 0.00 33.01 31.25 3f9k s GLN 137 CO 0.23 0.60 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.40 3f9k s SER 138 N -1.47 0.83 0.04 5.90 1.04 -0.20 -4.96 113.70 114.88 3f9k s SER 138 Ca 0.18 -0.76 0.03 0.00 0.48 0.00 0.00 55.95 55.87 3f9k s SER 138 Cb -0.11 0.09 -0.02 0.00 0.10 0.00 0.00 66.02 66.07 3f9k s SER 138 CO 0.08 -0.36 -0.08 -0.36 0.98 0.00 0.00 173.24 173.50 3f9k s PHE 139 N -2.50 0.73 0.00 5.02 0.40 -1.26 -2.16 117.98 118.21 3f9k s PHE 139 Ca -0.01 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 3f9k s PHE 139 Cb -0.02 -0.44 0.00 0.00 0.51 0.00 0.00 43.02 43.07 3f9k s PHE 139 CO -0.03 -0.05 0.00 0.41 0.70 0.00 0.00 175.22 176.25 3f9k n GLY 140 N 1.77 1.66 3.68 4.36 0.00 -0.52 -4.79 105.19 111.36 3f9k n GLY 140 Ca -0.20 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 3f9k n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3f9k s VAL 141 N 0.00 5.17 0.58 1.61 1.01 -1.26 -4.76 120.40 122.75 3f9k s VAL 141 Ca 0.00 0.83 -0.19 0.00 0.00 0.00 0.00 61.98 62.62 3f9k s VAL 141 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 3f9k s VAL 141 CO 0.00 0.25 1.18 -2.84 0.00 0.00 0.00 175.10 173.68 3f9k s PRO 142 N 1.26 3.07 0.48 2.72 0.02 -1.26 -4.91 135.00 136.37 3f9k s PRO 142 Ca 0.22 1.73 0.15 0.00 0.02 0.00 0.00 61.00 63.12 3f9k s PRO 142 Cb -0.15 -1.95 1.11 0.00 0.02 0.00 0.00 34.50 33.53 3f9k s PRO 142 CO 0.09 -1.11 2.06 -0.92 -0.33 0.00 0.00 177.00 176.79 3f9k h TYR 143 N 0.92 0.00 -3.59 6.54 3.20 -1.97 -3.37 116.97 118.70 3f9k h TYR 143 Ca -0.50 -0.00 -0.64 0.00 3.14 0.00 0.00 58.73 60.73 3f9k h TYR 143 Cb 1.28 -0.00 -0.14 0.00 1.54 0.00 0.00 36.73 39.41 3f9k h TYR 143 CO 0.48 0.11 0.03 1.21 -1.64 0.00 0.00 178.16 178.35 3f9k s ASN 144 N -7.03 6.38 0.09 -2.11 2.47 -1.26 -5.00 114.94 108.47 3f9k s ASN 144 Ca -0.04 0.11 -0.34 0.00 0.42 0.00 0.00 52.86 53.01 3f9k s ASN 144 Cb 0.16 -2.29 -0.16 0.00 -1.45 0.00 0.00 41.25 37.51 3f9k s ASN 144 CO 0.69 -0.50 1.59 -0.65 -3.72 0.00 0.00 177.10 174.51 3f9k h PRO 145 N 8.40 -0.90 -7.23 0.43 0.11 -2.00 -3.34 132.00 127.48 3f9k h PRO 145 Ca -0.27 0.06 -0.53 0.00 0.11 0.00 0.00 66.00 65.37 3f9k h PRO 145 Cb 1.12 0.20 0.18 0.00 0.11 0.00 0.00 31.00 32.61 3f9k h PRO 145 CO 0.79 -0.60 0.31 1.14 -0.21 0.00 0.00 178.00 179.43 3f9k s GLN 146 N -5.96 1.56 0.00 1.05 -2.07 -1.26 -2.20 119.66 110.77 3f9k s GLN 146 Ca -0.18 1.65 0.00 0.00 -1.82 0.00 0.00 55.36 55.01 3f9k s GLN 146 Cb 0.05 -1.78 0.00 0.00 -1.09 0.00 0.00 33.01 30.19 3f9k s GLN 146 CO 0.62 -2.25 0.00 0.45 -1.32 0.00 0.00 175.29 172.79 3f9k n SER 147 N -3.53 0.00 -4.63 12.60 2.88 -1.26 -5.01 113.62 114.67 3f9k n SER 147 Ca 0.13 0.00 -0.40 0.00 -1.33 0.00 0.00 58.87 57.26 3f9k n SER 147 Cb 0.51 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.90 3f9k n SER 147 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 3f9k s GLN 148 N -0.16 4.12 0.00 -1.46 2.00 -0.94 -4.08 119.66 119.15 3f9k s GLN 148 Ca 0.00 0.48 0.00 0.00 -2.00 0.00 0.00 55.36 53.84 3f9k s GLN 148 Cb 0.00 -3.63 0.00 0.00 0.80 0.00 0.00 33.01 30.18 3f9k s GLN 148 CO 0.00 -0.35 0.00 0.41 -0.50 0.00 0.00 175.29 174.85 3f9k n GLY 149 N 4.15 0.66 0.07 2.59 0.00 -1.26 -5.00 105.19 106.40 3f9k n GLY 149 Ca -0.02 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 1.33 -0.56 1.61 2.07 -2.00 -1.87 116.25 116.84 3f9k h VAL 150 Ca 0.00 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.37 3f9k h VAL 150 Cb 0.00 2.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.84 3f9k h VAL 150 CO 0.00 0.30 0.26 0.58 0.02 0.00 0.00 177.57 178.74 3f9k h VAL 151 N -0.59 0.90 -0.49 2.57 2.07 -1.91 0.70 116.25 119.51 3f9k h VAL 151 Ca -0.00 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3f9k h VAL 151 Cb 0.54 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3f9k h VAL 151 CO 0.01 0.09 0.29 -0.33 0.02 0.00 0.00 177.57 177.65 3f9k h GLU 152 N 0.49 0.57 -0.13 1.57 3.07 -1.97 0.39 114.58 118.58 3f9k h GLU 152 Ca 0.26 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.09 3f9k h GLU 152 Cb 0.21 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.98 3f9k h GLU 152 CO -0.20 0.38 0.06 0.00 -1.40 0.00 0.00 179.01 177.84 3f9k h ALA 153 N 1.21 0.15 -0.77 3.43 0.00 -0.83 -2.69 119.26 119.76 3f9k h ALA 153 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.21 3f9k h ALA 153 Cb 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 3f9k h ALA 153 CO -0.08 -0.39 0.41 0.52 0.00 0.00 0.00 179.25 179.71 3f9k h MET 154 N 0.13 0.65 -0.83 0.00 2.86 -0.11 -1.37 114.93 116.26 3f9k h MET 154 Ca 0.05 -0.04 0.20 0.00 -2.06 0.00 0.00 59.70 57.85 3f9k h MET 154 Cb 0.01 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 31.40 3f9k h MET 154 CO -0.04 0.43 0.26 -0.91 1.06 0.00 0.00 176.91 177.72 3f9k h ASN 155 N 0.67 0.11 -0.06 1.22 2.35 0.09 0.19 115.58 120.15 3f9k h ASN 155 Ca 0.38 0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 56.27 3f9k h ASN 155 Cb 0.41 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.98 3f9k h ASN 155 CO -0.28 -0.06 -0.06 0.45 -1.65 0.00 0.00 177.43 175.84 3f9k h HIS 156 N 0.29 0.17 -0.77 1.19 3.86 -1.17 -2.11 115.15 116.62 3f9k h HIS 156 Ca 0.50 -0.05 0.09 0.00 -1.16 0.00 0.00 60.37 59.75 3f9k h HIS 156 Cb 0.94 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 29.31 3f9k h HIS 156 CO -0.23 0.59 0.42 0.45 0.86 0.00 0.00 177.93 180.02 3f9k h HIS 157 N -0.29 0.76 -0.34 2.45 3.86 -0.80 0.31 115.15 121.10 3f9k h HIS 157 Ca 0.01 0.03 0.03 0.00 -1.16 0.00 0.00 60.37 59.28 3f9k h HIS 157 Cb 0.56 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.77 3f9k h HIS 157 CO 0.09 0.31 0.14 1.25 0.86 0.00 0.00 177.93 180.57 3f9k h LEU 158 N 0.72 0.18 -0.59 2.43 5.85 -0.62 -0.68 115.31 122.59 3f9k h LEU 158 Ca 0.37 0.03 -0.05 0.00 0.84 0.00 0.00 57.88 59.07 3f9k h LEU 158 Cb 0.35 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 3f9k h LEU 158 CO -0.25 0.14 0.19 0.11 -0.34 0.00 0.00 178.44 178.29 3f9k h LYS 159 N 0.30 0.92 -1.01 1.25 1.57 -0.46 0.08 116.57 119.22 3f9k h LYS 159 Ca 0.15 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3f9k h LYS 159 Cb 0.10 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 32.21 3f9k h LYS 159 CO -0.13 0.82 0.65 -0.91 -0.57 0.00 0.00 179.45 179.31 3f9k h ASN 160 N 0.84 1.06 -0.28 0.86 2.35 -0.17 0.98 115.58 121.22 3f9k h ASN 160 Ca 0.19 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3f9k h ASN 160 Cb 0.28 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3f9k h ASN 160 CO -0.01 0.69 -0.13 -0.61 -1.65 0.00 0.00 177.43 175.73 3f9k h GLN 161 N 1.21 0.58 -0.97 0.81 5.75 -0.68 -2.31 115.11 119.50 3f9k h GLN 161 Ca 0.42 -0.25 0.14 0.00 -0.15 0.00 0.00 58.65 58.81 3f9k h GLN 161 Cb 0.12 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.56 3f9k h GLN 161 CO -0.16 0.82 0.59 0.82 -2.65 0.00 0.00 178.83 178.26 3f9k h ILE 162 N 0.32 0.86 -0.19 2.39 1.08 -0.48 -2.25 117.51 119.24 3f9k h ILE 162 Ca 0.06 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 3f9k h ILE 162 Cb 0.64 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 3f9k h ILE 162 CO 0.04 0.16 0.13 -1.28 -0.69 0.00 0.00 178.15 176.51 3f9k h SER 163 N 0.89 0.22 0.38 1.72 0.87 -0.44 -0.81 113.55 116.38 3f9k h SER 163 Ca 0.50 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 61.05 3f9k h SER 163 Cb 0.58 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3f9k h SER 163 CO -0.30 0.16 -0.06 0.03 -0.53 0.00 0.00 176.83 176.13 3f9k h ARG 164 N 0.26 0.00 0.00 2.24 3.08 -0.87 -3.00 114.38 116.09 3f9k h ARG 164 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3f9k h ARG 164 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3f9k h ARG 164 CO -0.02 0.06 -0.00 0.44 -1.07 0.00 0.00 179.97 179.38 3f9k n ILE 165 N -3.40 0.96 -0.31 2.04 -5.35 -1.11 -4.83 119.36 107.36 3f9k n ILE 165 Ca -0.02 -0.96 0.15 0.00 -0.27 0.00 0.00 62.75 61.65 3f9k n ILE 165 Cb 0.20 0.52 0.32 0.00 -1.74 0.00 0.00 39.64 38.94 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 0.00 0.31 0.00 6.28 9.65 -1.00 -0.47 114.38 129.16 3f9k h ARG 166 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3f9k h ARG 166 Cb 0.54 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.05 3f9k h ARG 166 CO 0.00 0.21 0.00 0.39 2.80 0.00 0.00 179.97 183.37 3f9k n GLU 167 N -5.11 0.80 0.00 0.20 4.71 -1.26 -3.37 120.64 116.62 3f9k n GLU 167 Ca 0.23 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.51 3f9k n GLU 167 Cb 0.71 -1.49 0.34 0.00 -1.01 0.00 0.00 31.44 30.00 3f9k n GLU 167 CO 0.00 0.00 0.00 1.04 0.09 0.00 0.00 177.13 178.26 3f9k n GLN 168 N -0.99 0.49 -3.49 3.49 6.02 -0.18 -4.90 117.38 117.81 3f9k n GLN 168 Ca 0.19 -0.28 -0.16 0.00 -0.01 0.00 0.00 57.00 56.73 3f9k n GLN 168 Cb 0.09 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.80 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 -2.71 -1.73 -0.02 -1.58 0.00 -1.22 -5.09 121.76 109.43 3f9k s ALA 169 Ca 0.19 1.10 -0.02 0.00 0.00 0.00 0.00 51.96 53.24 3f9k s ALA 169 Cb 0.19 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 3f9k s ALA 169 CO 0.59 -0.48 0.17 -0.91 0.00 0.00 0.00 175.76 175.14 3f9k h ASN 170 N 2.73 -0.05 -4.11 0.00 2.35 -1.91 -3.47 115.58 111.12 3f9k h ASN 170 Ca -0.29 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.92 3f9k h ASN 170 Cb 1.19 0.01 0.14 0.00 0.05 0.00 0.00 38.32 39.70 3f9k h ASN 170 CO 0.39 0.08 0.48 0.42 -1.65 0.00 0.00 177.43 177.15 3f9k s THR 171 N -1.55 2.36 0.13 2.81 -4.23 -1.26 -4.95 115.64 108.96 3f9k s THR 171 Ca -0.01 0.21 -0.03 0.00 -1.18 0.00 0.00 61.69 60.69 3f9k s THR 171 Cb 0.00 -3.04 -0.18 0.00 1.34 0.00 0.00 72.50 70.62 3f9k s THR 171 CO 0.02 -0.05 1.31 0.40 -0.54 0.00 0.00 174.62 175.76 3f9k h ILE 172 N 0.58 1.43 -0.75 2.99 2.04 -1.98 -2.68 117.51 119.14 3f9k h ILE 172 Ca -0.50 -2.52 0.17 0.00 1.00 0.00 0.00 64.86 63.01 3f9k h ILE 172 Cb 1.31 2.45 -0.12 0.00 -0.74 0.00 0.00 36.82 39.72 3f9k h ILE 172 CO 0.54 0.75 0.08 -0.33 0.00 0.00 0.00 178.15 179.19 3f9k h GLU 173 N 0.19 0.16 0.03 2.37 3.07 -1.97 -0.86 114.58 117.57 3f9k h GLU 173 Ca -0.07 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3f9k h GLU 173 Cb 1.58 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 3f9k h GLU 173 CO 0.16 0.10 -0.02 1.15 -1.40 0.00 0.00 179.01 179.01 3f9k h THR 174 N 0.16 1.37 -0.37 1.13 2.02 -1.95 -3.29 112.91 111.98 3f9k h THR 174 Ca 0.43 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 66.23 3f9k h THR 174 Cb 0.76 2.26 -0.02 0.00 -1.74 0.00 0.00 68.15 69.41 3f9k h THR 174 CO -0.61 0.34 0.21 -0.29 0.37 0.00 0.00 175.52 175.55 3f9k h ILE 175 N -0.65 1.11 0.45 3.11 6.09 -1.07 -2.22 117.51 124.32 3f9k h ILE 175 Ca -0.00 -0.27 -0.02 0.00 -1.37 0.00 0.00 64.86 63.20 3f9k h ILE 175 Cb 0.59 0.60 0.00 0.00 0.47 0.00 0.00 36.82 38.49 3f9k h ILE 175 CO 0.01 0.12 -0.22 0.58 -3.07 0.00 0.00 178.15 175.57 3f9k h VAL 176 N 0.51 0.56 -0.81 2.19 2.07 -1.28 -1.01 116.25 118.47 3f9k h VAL 176 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.71 3f9k h VAL 176 Cb -0.00 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 3f9k h VAL 176 CO -0.02 0.00 0.53 -0.07 0.02 0.00 0.00 177.57 178.03 3f9k h LEU 177 N -0.60 0.81 -0.51 2.57 3.38 -1.50 0.03 115.31 119.49 3f9k h LEU 177 Ca -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 3f9k h LEU 177 Cb 0.46 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3f9k h LEU 177 CO 0.10 0.53 -0.03 0.24 0.09 0.00 0.00 178.44 179.37 3f9k h MET 178 N 0.92 0.93 -0.66 1.13 2.86 -1.26 -2.35 114.93 116.50 3f9k h MET 178 Ca 0.34 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3f9k h MET 178 Cb 0.17 -0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 3f9k h MET 178 CO -0.12 0.97 0.30 0.00 1.06 0.00 0.00 176.91 179.13 3f9k h ALA 179 N 0.93 0.86 -0.31 6.32 0.00 0.08 -2.42 119.26 124.71 3f9k h ALA 179 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3f9k h ALA 179 Cb 0.57 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3f9k h ALA 179 CO 0.03 0.44 0.15 0.28 0.00 0.00 0.00 179.25 180.15 3f9k h VAL 180 N 0.93 0.98 -0.63 0.00 2.07 -0.95 -1.42 116.25 117.23 3f9k h VAL 180 Ca 0.23 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.75 3f9k h VAL 180 Cb 0.14 0.64 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 3f9k h VAL 180 CO -0.03 0.06 0.18 -0.74 0.02 0.00 0.00 177.57 177.07 3f9k h HIS 181 N 0.31 0.31 -0.43 1.57 6.17 -1.15 -0.99 115.15 120.94 3f9k h HIS 181 Ca 0.13 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.25 3f9k h HIS 181 Cb 0.05 -0.04 -0.02 0.00 2.52 0.00 0.00 27.41 29.92 3f9k h HIS 181 CO -0.10 0.02 0.28 0.00 0.71 0.00 0.00 177.93 178.83 3f9k h MET 183 N 0.58 0.42 0.00 0.00 2.86 -0.53 0.15 114.93 118.41 3f9k h MET 183 Ca 0.16 -0.21 -0.21 0.00 -2.06 0.00 0.00 59.70 57.37 3f9k h MET 183 Cb -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.59 3f9k h MET 183 CO -0.03 0.76 -1.14 -0.91 1.06 0.00 0.00 176.91 176.65 3f9k h ASN 184 N 0.35 0.00 0.00 1.22 2.35 -1.11 -3.38 115.58 115.01 3f9k h ASN 184 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3f9k h ASN 184 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 3f9k h ASN 184 CO 0.07 0.90 -0.93 0.49 -1.65 0.00 0.00 177.43 176.31 3f9k n PHE 185 N -3.22 0.00 0.22 1.19 3.72 -0.62 -1.98 117.46 116.76 3f9k n PHE 185 Ca -0.05 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.38 3f9k n PHE 185 Cb 0.93 -0.04 -0.02 0.00 -0.94 0.00 0.00 39.48 39.41 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 -1.49 4.30 -3.25 -1.08 4.76 0.53 -4.92 118.16 117.02 3f9k n LYS 186 Ca -0.00 -0.16 -0.39 0.00 -2.87 0.00 0.00 58.31 54.89 3f9k n LYS 186 Cb 0.05 -0.80 -0.06 0.00 -1.84 0.00 0.00 35.03 32.39 3f9k n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3f9k s ARG 187 N -1.24 4.30 -0.03 1.97 0.52 -1.17 -2.91 118.95 120.39 3f9k s ARG 187 Ca 0.03 0.51 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 3f9k s ARG 187 Cb 0.04 -3.48 -0.01 0.00 0.52 0.00 0.00 34.95 32.02 3f9k s ARG 187 CO 0.17 0.03 -0.15 0.50 0.02 0.00 0.00 175.30 175.87 3f9k s ARG 188 N 1.02 1.44 0.00 3.54 3.52 -1.26 -4.06 118.95 123.14 3f9k s ARG 188 Ca 0.27 -0.53 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 3f9k s ARG 188 Cb -0.16 -1.31 0.00 0.00 -1.56 0.00 0.00 34.95 31.92 3f9k s ARG 188 CO 0.11 0.25 0.00 0.41 -0.81 0.00 0.00 175.30 175.26 3f9k n GLY 189 N 3.01 -0.60 7.00 8.12 0.00 -1.09 -4.48 105.19 117.14 3f9k n GLY 189 Ca -0.17 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.90 0.14 -0.02 0.00 -1.26 -1.33 105.19 101.82 3f9k n GLY 190 Ca 0.00 -1.18 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 3f9k n GLY 190 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3f9k h ILE 191 N 0.00 0.85 -0.81 -0.61 6.09 -2.02 -3.13 117.51 117.88 3f9k h ILE 191 Ca 0.00 -0.22 -0.32 0.00 -1.37 0.00 0.00 64.86 62.95 3f9k h ILE 191 Cb 0.00 0.98 -0.19 0.00 0.47 0.00 0.00 36.82 38.08 3f9k h ILE 191 CO 0.00 0.05 0.39 0.61 -3.07 0.00 0.00 178.15 176.13 3f9k n GLY 192 N -0.91 4.01 4.13 8.18 0.00 -1.26 -4.94 105.19 114.40 3f9k n GLY 192 Ca -0.09 -1.04 -0.45 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.55 -3.26 -4.41 1.61 8.00 -1.18 -4.97 116.55 111.79 3f9k n ASP 193 Ca 0.47 -1.31 -0.21 0.00 0.71 0.00 0.00 54.79 54.46 3f9k n ASP 193 Cb 1.48 -1.59 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 3f9k n ASP 193 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3f9k s MET 194 N -7.50 1.51 0.55 -1.24 0.23 -0.44 -4.55 119.30 107.86 3f9k s MET 194 Ca 0.42 -1.76 -0.12 0.00 -1.03 0.00 0.00 55.69 53.20 3f9k s MET 194 Cb -0.23 -1.10 -0.05 0.00 -1.53 0.00 0.00 34.83 31.91 3f9k s MET 194 CO 0.98 0.04 0.96 0.95 -2.03 0.00 0.00 175.02 175.91 3f9k s THR 195 N -3.05 4.69 0.24 3.16 -4.23 -1.26 -2.68 115.64 112.52 3f9k s THR 195 Ca 0.29 0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 61.62 3f9k s THR 195 Cb 0.04 -3.81 0.21 0.00 1.34 0.00 0.00 72.50 70.28 3f9k s THR 195 CO 0.11 -0.90 1.76 -0.65 -0.54 0.00 0.00 174.62 174.40 3f9k h PRO 196 N 0.30 0.54 -0.14 3.99 0.11 -1.73 0.07 132.00 135.14 3f9k h PRO 196 Ca -0.46 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.66 3f9k h PRO 196 Cb 1.19 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 3f9k h PRO 196 CO 0.62 0.36 -0.12 1.03 -0.21 0.00 0.00 178.00 179.67 3f9k h SER 197 N 0.56 -0.39 -0.48 -2.05 0.87 -1.74 0.15 113.55 110.47 3f9k h SER 197 Ca 0.40 0.08 0.04 0.00 -1.23 0.00 0.00 61.79 61.09 3f9k h SER 197 Cb 0.54 0.19 -0.04 0.00 -0.44 0.00 0.00 62.40 62.65 3f9k h SER 197 CO -0.34 -0.16 0.23 -0.33 -0.53 0.00 0.00 176.83 175.70 3f9k h GLU 198 N -0.14 0.45 -0.56 2.24 5.08 -1.60 -1.06 114.58 118.99 3f9k h GLU 198 Ca 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3f9k h GLU 198 Cb 0.28 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3f9k h GLU 198 CO -0.22 0.30 0.32 -0.09 -1.00 0.00 0.00 179.01 178.31 3f9k h ARG 199 N 0.46 0.76 0.17 2.33 2.43 -0.51 0.78 114.38 120.80 3f9k h ARG 199 Ca 0.21 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 3f9k h ARG 199 Cb 0.13 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3f9k h ARG 199 CO -0.16 0.57 -0.08 1.25 -1.51 0.00 0.00 179.97 180.04 3f9k h LEU 200 N 0.75 -0.19 -0.83 3.80 5.85 -0.71 -1.43 115.31 122.54 3f9k h LEU 200 Ca 0.20 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.83 3f9k h LEU 200 Cb 0.01 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.02 3f9k h LEU 200 CO -0.03 0.08 0.48 0.40 -0.34 0.00 0.00 178.44 179.02 3f9k h ILE 201 N -0.46 0.93 -0.45 4.05 5.03 -1.07 -1.41 117.51 124.12 3f9k h ILE 201 Ca -0.02 -0.28 -0.08 0.00 -0.12 0.00 0.00 64.86 64.35 3f9k h ILE 201 Cb 0.36 0.04 -0.02 0.00 -3.03 0.00 0.00 36.82 34.17 3f9k h ILE 201 CO 0.04 0.15 -0.06 -1.13 -0.68 0.00 0.00 178.15 176.47 3f9k h ASN 202 N 0.82 0.75 -0.47 1.72 -1.24 -0.73 -2.26 115.58 114.17 3f9k h ASN 202 Ca 0.40 -0.20 -0.11 0.00 0.71 0.00 0.00 56.30 57.09 3f9k h ASN 202 Cb 0.34 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 3f9k h ASN 202 CO -0.24 0.86 -0.14 0.24 -1.29 0.00 0.00 177.43 176.86 3f9k h MET 203 N 0.71 0.92 -0.89 6.67 2.86 -0.51 -2.71 114.93 121.98 3f9k h MET 203 Ca 0.13 -0.36 -0.02 0.00 -2.06 0.00 0.00 59.70 57.38 3f9k h MET 203 Cb 0.52 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.09 3f9k h MET 203 CO 0.03 1.02 0.47 0.82 1.06 0.00 0.00 176.91 180.31 3f9k h ILE 204 N 0.76 1.26 -0.41 -1.22 2.04 -1.04 -2.93 117.51 115.97 3f9k h ILE 204 Ca 0.12 -0.67 -0.12 0.00 1.00 0.00 0.00 64.86 65.19 3f9k h ILE 204 Cb 0.70 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 3f9k h ILE 204 CO 0.05 0.30 -0.23 0.74 0.00 0.00 0.00 178.15 179.01 3f9k h THR 205 N 1.25 1.27 -0.03 -0.27 2.02 -1.31 -3.52 112.91 112.33 3f9k h THR 205 Ca 0.31 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3f9k h THR 205 Cb 0.05 1.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3f9k h THR 205 CO -0.05 0.46 0.00 0.35 0.37 0.00 0.00 175.52 176.65