#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfq n LEU 2 N 0.00 -2.92 -4.92 6.55 4.77 -1.26 -5.05 117.00 114.18 1lfq n LEU 2 Ca 0.00 0.68 -0.26 0.00 -0.03 0.00 0.00 56.01 56.40 1lfq n LEU 2 Cb 0.00 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 39.63 1lfq n LEU 2 CO 0.00 -0.45 0.43 -0.94 -1.33 0.00 0.00 177.39 175.10 1lfq s SER 3 N -0.12 6.06 0.39 -1.43 1.04 -1.26 -4.85 113.70 113.53 1lfq s SER 3 Ca 0.00 0.77 0.09 0.00 0.48 0.00 0.00 55.95 57.30 1lfq s SER 3 Cb 0.00 -2.02 0.86 0.00 0.10 0.00 0.00 66.02 64.96 1lfq s SER 3 CO 0.00 -0.69 1.95 1.55 0.98 0.00 0.00 173.24 177.03 1lfq h PRO 4 N 0.18 0.60 -0.37 4.02 0.13 -1.98 0.53 132.00 135.11 1lfq h PRO 4 Ca -0.47 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1lfq h PRO 4 Cb 1.22 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1lfq h PRO 4 CO 0.61 0.40 0.12 0.00 -0.23 0.00 0.00 178.00 178.90 1lfq h ALA 5 N 1.63 1.53 0.10 -0.56 0.00 -1.99 -1.66 119.26 118.31 1lfq h ALA 5 Ca 0.33 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lfq h ALA 5 Cb 0.46 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1lfq h ALA 5 CO -0.11 0.36 -0.05 -0.44 0.00 0.00 0.00 179.25 179.01 1lfq h ASP 6 N 0.52 -0.11 0.44 0.00 3.45 -0.39 -2.39 116.42 117.94 1lfq h ASP 6 Ca 0.13 -0.43 0.00 0.00 0.43 0.00 0.00 57.03 57.16 1lfq h ASP 6 Cb 0.15 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 1lfq h ASP 6 CO -0.01 0.41 0.00 2.29 -1.57 0.00 0.00 179.24 180.36 1lfq n LYS 7 N -4.90 0.10 0.05 3.56 2.85 -0.12 -0.64 118.16 119.06 1lfq n LYS 7 Ca -0.08 0.42 -0.20 0.00 -1.05 0.00 0.00 58.31 57.39 1lfq n LYS 7 Cb 0.27 -1.73 -0.14 0.00 -0.65 0.00 0.00 35.03 32.78 1lfq n LYS 7 CO 0.00 0.00 0.00 1.15 -0.05 0.00 0.00 177.40 178.50 1lfq h THR 8 N 0.00 0.92 -0.23 0.58 2.02 -1.29 -2.74 112.91 112.16 1lfq h THR 8 Ca 0.00 -2.56 -0.04 0.00 0.77 0.00 0.00 66.41 64.59 1lfq h THR 8 Cb 0.22 2.69 -0.01 0.00 -1.74 0.00 0.00 68.15 69.31 1lfq h THR 8 CO 0.00 0.84 0.01 0.78 0.37 0.00 0.00 175.52 177.51 1lfq h ASN 9 N 0.08 0.39 -0.08 4.18 -0.26 -0.78 -2.27 115.58 116.85 1lfq h ASN 9 Ca -0.33 -0.30 -0.00 0.00 -0.56 0.00 0.00 56.30 55.10 1lfq h ASN 9 Cb 2.06 -0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 39.21 1lfq h ASN 9 CO 0.15 0.60 0.05 0.58 -1.06 0.00 0.00 177.43 177.74 1lfq h VAL 10 N 0.17 1.05 0.00 2.81 2.07 -1.01 -2.20 116.25 119.16 1lfq h VAL 10 Ca 0.07 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1lfq h VAL 10 Cb 0.39 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1lfq h VAL 10 CO 0.01 0.05 -0.01 0.11 0.02 0.00 0.00 177.57 177.75 1lfq h LYS 11 N 0.07 0.00 0.00 1.57 1.57 -1.44 -1.94 116.57 116.39 1lfq h LYS 11 Ca 0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1lfq h LYS 11 Cb 0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 1lfq h LYS 11 CO -0.01 0.01 -0.17 0.00 -0.57 0.00 0.00 179.45 178.71 1lfq h ALA 12 N 1.99 0.03 -0.01 3.86 0.00 -0.99 -2.68 119.26 121.46 1lfq h ALA 12 Ca -0.00 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1lfq h ALA 12 Cb 0.02 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1lfq h ALA 12 CO 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 1lfq h ALA 13 N -0.47 1.92 0.03 0.00 0.00 -1.37 0.10 119.26 119.47 1lfq h ALA 13 Ca -0.04 -0.04 -0.22 0.00 0.00 0.00 0.00 54.91 54.61 1lfq h ALA 13 Cb 0.65 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1lfq h ALA 13 CO -0.02 0.06 -0.99 2.35 0.00 0.00 0.00 179.25 180.66 1lfq h TRP 14 N 0.01 0.29 -0.22 0.00 2.91 -1.48 -1.71 115.95 115.75 1lfq h TRP 14 Ca 0.00 -0.18 0.01 0.00 1.13 0.00 0.00 58.89 59.85 1lfq h TRP 14 Cb 0.08 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.69 1lfq h TRP 14 CO 0.00 1.05 0.11 0.78 -1.03 0.00 0.00 178.44 179.36 1lfq h GLY 15 N 1.99 0.29 2.00 2.65 0.00 -0.59 -1.00 103.07 108.42 1lfq h GLY 15 Ca -0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 1lfq h GLY 15 CO 0.15 0.07 -0.03 0.50 0.00 0.00 0.00 176.54 177.23 1lfq h LYS 16 N 0.24 0.00 0.00 4.80 1.79 -0.75 -0.58 116.57 122.08 1lfq h LYS 16 Ca 0.09 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.48 1lfq h LYS 16 Cb 0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 1lfq h LYS 16 CO -0.06 0.03 -0.37 0.28 -1.08 0.00 0.00 179.45 178.26 1lfq h VAL 17 N 0.00 1.21 0.00 0.50 2.07 -0.23 -3.47 116.25 116.33 1lfq h VAL 17 Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1lfq h VAL 17 Cb 0.07 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1lfq h VAL 17 CO 0.00 0.36 0.00 0.61 0.02 0.00 0.00 177.57 178.56 1lfq n GLY 18 N -0.41 2.82 0.00 2.17 0.00 -0.23 -2.00 105.19 107.55 1lfq n GLY 18 Ca -0.02 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.12 1lfq n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfq n ALA 19 N 8.25 2.22 1.93 4.61 0.00 -1.26 -2.61 120.51 133.66 1lfq n ALA 19 Ca 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.47 1lfq n ALA 19 Cb 0.00 -1.43 0.75 0.00 0.00 0.00 0.00 19.45 18.77 1lfq n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfq n HIS 20 N -1.46 0.00 -0.06 0.00 8.25 -0.85 -4.22 115.22 116.88 1lfq n HIS 20 Ca 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.50 1lfq n HIS 20 Cb 0.29 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 1lfq n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lfq h ALA 21 N 3.74 -0.36 -0.07 -1.41 0.00 -1.55 0.12 119.26 119.74 1lfq h ALA 21 Ca 0.00 0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1lfq h ALA 21 Cb 0.00 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1lfq h ALA 21 CO 0.00 -0.44 0.12 0.78 0.00 0.00 0.00 179.25 179.71 1lfq h GLY 22 N -0.08 0.00 0.28 0.00 0.00 -1.85 -1.95 103.07 99.46 1lfq h GLY 22 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1lfq h GLY 22 CO -0.20 0.00 -0.00 0.83 0.00 0.00 0.00 176.54 177.17 1lfq h GLU 23 N 0.00 -0.00 0.00 4.80 5.08 -1.15 -2.98 114.58 120.34 1lfq h GLU 23 Ca 0.03 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1lfq h GLU 23 Cb 0.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.52 1lfq h GLU 23 CO -0.00 0.72 -0.08 1.88 -1.00 0.00 0.00 179.01 180.52 1lfq h TYR 24 N -0.73 0.00 -0.30 4.33 0.99 -0.46 -1.35 116.97 119.45 1lfq h TYR 24 Ca -0.00 0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.62 1lfq h TYR 24 Cb 0.72 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 38.44 1lfq h TYR 24 CO 0.18 0.08 -0.29 0.78 -0.00 0.00 0.00 178.16 178.92 1lfq h GLY 25 N 0.39 0.67 1.85 3.88 0.00 -1.35 -1.20 103.07 107.30 1lfq h GLY 25 Ca -0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 1lfq h GLY 25 CO 0.01 0.54 -0.30 0.00 0.00 0.00 0.00 176.54 176.78 1lfq h ALA 26 N 1.16 0.84 0.03 3.60 0.00 -1.12 -3.14 119.26 120.62 1lfq h ALA 26 Ca 0.07 -0.16 -0.26 0.00 0.00 0.00 0.00 54.91 54.56 1lfq h ALA 26 Cb 0.77 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.56 1lfq h ALA 26 CO 0.06 0.21 -1.04 1.49 0.00 0.00 0.00 179.25 179.96 1lfq h GLU 27 N 0.00 0.55 0.28 0.00 4.81 -0.92 -2.35 114.58 116.95 1lfq h GLU 27 Ca -0.01 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.59 1lfq h GLU 27 Cb 1.13 0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.70 1lfq h GLU 27 CO 0.02 1.24 -0.13 0.00 -0.73 0.00 0.00 179.01 179.40 1lfq h ALA 28 N 0.54 -0.37 -0.31 2.92 0.00 -1.29 -1.65 119.26 119.10 1lfq h ALA 28 Ca -0.12 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 54.72 1lfq h ALA 28 Cb 1.70 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.57 1lfq h ALA 28 CO 0.19 -0.67 -0.40 -0.07 0.00 0.00 0.00 179.25 178.30 1lfq h LEU 29 N -0.45 -1.34 -0.99 0.00 3.38 -1.57 0.02 115.31 114.36 1lfq h LEU 29 Ca -0.04 0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.32 1lfq h LEU 29 Cb 0.34 0.55 -0.11 0.00 0.09 0.00 0.00 40.66 41.53 1lfq h LEU 29 CO 0.06 -0.28 0.59 -0.08 0.09 0.00 0.00 178.44 178.82 1lfq h GLU 30 N -0.27 0.67 -0.59 1.13 4.81 -1.37 -0.65 114.58 118.32 1lfq h GLU 30 Ca 0.05 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1lfq h GLU 30 Cb 0.42 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1lfq h GLU 30 CO -0.44 0.45 0.25 0.00 -0.73 0.00 0.00 179.01 178.54 1lfq h ARG 31 N 0.69 0.86 -0.45 1.92 3.08 -0.06 -2.70 114.38 117.73 1lfq h ARG 31 Ca 0.59 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.47 1lfq h ARG 31 Cb 0.99 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 1lfq h ARG 31 CO -0.42 0.72 0.16 1.98 -1.07 0.00 0.00 179.97 181.34 1lfq h MET 32 N 0.80 0.68 -0.63 0.04 4.05 0.42 -1.04 114.93 119.25 1lfq h MET 32 Ca 0.20 -0.14 -0.00 0.00 -0.28 0.00 0.00 59.70 59.48 1lfq h MET 32 Cb 0.17 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.83 1lfq h MET 32 CO -0.02 0.64 0.38 0.74 0.23 0.00 0.00 176.91 178.88 1lfq h PHE 33 N 0.58 0.84 -0.19 1.39 0.04 -1.33 0.54 116.94 118.81 1lfq h PHE 33 Ca 0.15 -0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.73 1lfq h PHE 33 Cb 0.24 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 38.11 1lfq h PHE 33 CO 0.01 0.57 -0.63 -0.07 -0.60 0.00 0.00 178.31 177.60 1lfq h LEU 34 N 0.86 0.76 0.23 1.54 4.07 -1.41 -3.12 115.31 118.24 1lfq h LEU 34 Ca 0.23 -0.44 -0.34 0.00 0.08 0.00 0.00 57.88 57.40 1lfq h LEU 34 Cb -0.01 -0.22 0.03 0.00 1.08 0.00 0.00 40.66 41.53 1lfq h LEU 34 CO -0.04 1.20 -1.59 0.28 -1.08 0.00 0.00 178.44 177.20 1lfq h SER 35 N 0.49 0.75 -3.41 -0.43 0.02 -1.03 -3.41 113.55 106.53 1lfq h SER 35 Ca -0.01 -0.93 -0.62 0.00 -0.84 0.00 0.00 61.79 59.39 1lfq h SER 35 Cb 1.21 -0.24 -0.41 0.00 0.14 0.00 0.00 62.40 63.10 1lfq h SER 35 CO 0.12 1.75 -0.66 -0.36 -1.14 0.00 0.00 176.83 176.54 1lfq s PHE 36 N -2.59 2.96 0.27 3.45 0.40 0.19 -4.96 117.98 117.71 1lfq s PHE 36 Ca -0.12 -3.05 0.01 0.00 -0.60 0.00 0.00 56.93 53.17 1lfq s PHE 36 Cb 0.05 -2.42 0.61 0.00 0.51 0.00 0.00 43.02 41.77 1lfq s PHE 36 CO 0.91 -0.66 1.74 -1.35 0.70 0.00 0.00 175.22 176.55 1lfq h PRO 37 N 5.91 0.52 0.00 0.24 0.11 -1.72 -1.50 132.00 135.55 1lfq h PRO 37 Ca 0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1lfq h PRO 37 Cb 0.83 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.82 1lfq h PRO 37 CO 0.64 0.34 0.34 -2.37 -0.21 0.00 0.00 178.00 176.74 1lfq n THR 38 N -4.94 0.65 0.07 -1.15 5.66 -1.26 0.12 114.28 113.43 1lfq n THR 38 Ca 0.19 0.67 0.01 0.00 -3.05 0.00 0.00 64.05 61.87 1lfq n THR 38 Cb 0.52 -1.67 -0.05 0.00 -1.55 0.00 0.00 70.33 67.58 1lfq n THR 38 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1lfq h THR 39 N 0.00 0.64 0.00 1.09 1.35 -1.60 -3.34 112.91 111.05 1lfq h THR 39 Ca 0.00 -2.08 0.00 0.00 -0.55 0.00 0.00 66.41 63.78 1lfq h THR 39 Cb 0.68 2.17 0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1lfq h THR 39 CO 0.00 0.36 0.14 0.11 -0.25 0.00 0.00 175.52 175.88 1lfq h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -0.50 -2.59 116.57 119.77 1lfq h LYS 40 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1lfq h LYS 40 Cb 1.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.82 1lfq h LYS 40 CO 0.05 0.00 0.00 -2.37 -0.57 0.00 0.00 179.45 176.56 1lfq n THR 41 N -2.70 1.32 0.87 -0.16 5.66 -1.26 -1.32 114.28 116.69 1lfq n THR 41 Ca -0.02 0.52 0.11 0.00 -3.05 0.00 0.00 64.05 61.61 1lfq n THR 41 Cb 0.19 -1.48 0.02 0.00 -1.55 0.00 0.00 70.33 67.51 1lfq n THR 41 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1lfq n TYR 42 N -1.91 0.06 -2.96 1.09 4.01 -0.97 -4.52 117.16 111.96 1lfq n TYR 42 Ca 0.00 0.02 -0.25 0.00 -0.16 0.00 0.00 57.90 57.51 1lfq n TYR 42 Cb 0.07 -0.19 -0.04 0.00 -0.31 0.00 0.00 39.34 38.88 1lfq n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfq n PHE 43 N -1.63 3.36 -0.06 -0.72 3.01 -0.44 -4.87 117.46 116.11 1lfq n PHE 43 Ca 0.04 -3.92 -0.13 0.00 1.01 0.00 0.00 57.45 54.45 1lfq n PHE 43 Cb 0.36 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.31 1lfq n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1lfq h PRO 44 N 2.97 0.39 -0.02 -1.08 0.11 -1.79 -2.79 132.00 129.78 1lfq h PRO 44 Ca 0.13 -0.18 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1lfq h PRO 44 Cb 0.61 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.71 1lfq h PRO 44 CO 0.76 0.71 0.00 -2.39 -0.21 0.00 0.00 178.00 176.87 1lfq n HIS 45 N -4.57 0.00 -4.69 0.65 1.44 -1.26 -4.67 115.22 102.12 1lfq n HIS 45 Ca -0.05 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.33 1lfq n HIS 45 Cb 0.33 -0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.32 1lfq n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lfq s PHE 46 N -1.97 2.79 -0.98 -1.40 2.99 -1.05 -5.05 117.98 113.32 1lfq s PHE 46 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 56.93 56.70 1lfq s PHE 46 Cb 0.00 -1.62 0.21 0.00 0.00 0.00 0.00 43.02 41.61 1lfq s PHE 46 CO 0.00 0.28 1.02 0.34 -0.00 0.00 0.00 175.22 176.86 1lfq s ASP 47 N -1.02 6.93 0.00 1.36 3.68 -1.26 -4.90 116.67 121.46 1lfq s ASP 47 Ca 0.14 -2.85 0.00 0.00 2.13 0.00 0.00 52.55 51.96 1lfq s ASP 47 Cb -0.11 -2.27 0.00 0.00 -1.45 0.00 0.00 42.92 39.09 1lfq s ASP 47 CO 0.03 -0.61 0.26 0.18 0.13 0.00 0.00 175.17 175.16 1lfq n LEU 48 N 4.35 0.73 -4.86 -1.34 4.32 -1.26 -4.34 117.00 114.59 1lfq n LEU 48 Ca 0.22 -0.36 -0.31 0.00 -0.02 0.00 0.00 56.01 55.53 1lfq n LEU 48 Cb 0.45 -0.16 -0.01 0.00 -1.62 0.00 0.00 43.42 42.07 1lfq n LEU 48 CO 0.44 0.13 0.69 -0.94 -1.22 0.00 0.00 177.39 176.49 1lfq s SER 49 N 0.35 6.42 0.26 -1.43 1.04 -1.26 -4.94 113.70 114.13 1lfq s SER 49 Ca 0.00 1.46 0.04 0.00 0.48 0.00 0.00 55.95 57.94 1lfq s SER 49 Cb 0.00 -2.48 0.71 0.00 0.10 0.00 0.00 66.02 64.35 1lfq s SER 49 CO 0.00 -0.72 1.28 1.57 0.98 0.00 0.00 173.24 176.35 1lfq n HIS 50 N -2.16 0.60 1.21 5.02 -0.00 -1.26 -1.40 115.22 117.23 1lfq n HIS 50 Ca 0.06 0.98 0.13 0.00 0.46 0.00 0.00 57.72 59.35 1lfq n HIS 50 Cb 0.54 -1.16 0.30 0.00 -0.12 0.00 0.00 29.99 29.55 1lfq n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1lfq n GLY 51 N -1.37 -0.37 2.26 1.57 0.00 -1.26 -5.00 105.19 101.01 1lfq n GLY 51 Ca 0.21 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1lfq n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lfq n SER 52 N -0.39 0.71 0.24 1.61 2.88 -0.49 -4.78 113.62 113.40 1lfq n SER 52 Ca 0.12 0.69 0.13 0.00 -1.33 0.00 0.00 58.87 58.48 1lfq n SER 52 Cb 0.38 -0.54 0.46 0.00 -0.75 0.00 0.00 64.21 63.76 1lfq n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lfq h ALA 53 N 3.35 0.98 0.05 -1.46 0.00 -1.91 -1.88 119.26 118.40 1lfq h ALA 53 Ca -0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1lfq h ALA 53 Cb 0.84 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1lfq h ALA 53 CO 0.61 0.13 -0.03 1.96 0.00 0.00 0.00 179.25 181.92 1lfq h GLN 54 N 0.00 -0.07 -0.89 0.00 4.20 -1.90 0.97 115.11 117.42 1lfq h GLN 54 Ca -0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1lfq h GLN 54 Cb 0.75 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 1lfq h GLN 54 CO 0.01 0.39 0.59 0.28 -0.67 0.00 0.00 178.83 179.43 1lfq h VAL 55 N -0.56 1.14 0.35 -0.54 2.07 -1.80 -1.63 116.25 115.28 1lfq h VAL 55 Ca -0.01 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 1lfq h VAL 55 Cb 0.49 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1lfq h VAL 55 CO 0.01 0.20 -0.17 0.11 0.02 0.00 0.00 177.57 177.74 1lfq h LYS 56 N 1.10 -0.45 -0.11 1.57 6.56 -1.15 -1.23 116.57 122.86 1lfq h LYS 56 Ca 0.36 0.03 0.03 0.00 -1.06 0.00 0.00 60.65 60.01 1lfq h LYS 56 Cb 0.05 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 31.80 1lfq h LYS 56 CO -0.11 -0.27 0.08 0.78 -2.06 0.00 0.00 179.45 177.86 1lfq h GLY 57 N -0.52 0.03 1.31 3.86 0.00 -0.32 -1.24 103.07 106.20 1lfq h GLY 57 Ca -0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 47.33 47.01 1lfq h GLY 57 CO 0.08 0.01 -1.08 0.84 0.00 0.00 0.00 176.54 176.39 1lfq h HIS 58 N 0.02 0.92 -0.57 5.60 6.17 -1.13 -2.58 115.15 123.59 1lfq h HIS 58 Ca 0.05 -0.52 0.03 0.00 0.71 0.00 0.00 60.37 60.64 1lfq h HIS 58 Cb 0.17 -0.09 -0.04 0.00 2.52 0.00 0.00 27.41 29.96 1lfq h HIS 58 CO -0.00 1.36 0.33 0.78 0.71 0.00 0.00 177.93 181.11 1lfq h GLY 59 N 0.62 0.81 0.87 5.26 0.00 -0.08 0.55 103.07 111.10 1lfq h GLY 59 Ca -0.13 -0.24 0.03 0.00 0.00 0.00 0.00 47.33 46.98 1lfq h GLY 59 CO 0.20 0.19 0.34 0.50 0.00 0.00 0.00 176.54 177.77 1lfq h LYS 60 N 0.64 0.65 -0.98 4.80 1.57 -1.35 -0.03 116.57 121.86 1lfq h LYS 60 Ca 0.24 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1lfq h LYS 60 Cb 0.07 -0.15 -0.06 0.00 0.08 0.00 0.00 32.23 32.17 1lfq h LYS 60 CO -0.12 0.43 0.64 0.87 -0.57 0.00 0.00 179.45 180.70 1lfq h LYS 61 N 0.67 1.21 -0.21 3.15 1.57 -0.51 -1.77 116.57 120.67 1lfq h LYS 61 Ca 0.23 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1lfq h LYS 61 Cb 0.03 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1lfq h LYS 61 CO -0.10 0.80 -0.19 0.28 -0.57 0.00 0.00 179.45 179.66 1lfq h VAL 62 N 1.24 1.32 -0.26 0.50 2.07 0.89 -2.86 116.25 119.16 1lfq h VAL 62 Ca 0.39 -1.34 0.04 0.00 0.82 0.00 0.00 66.70 66.61 1lfq h VAL 62 Cb 0.00 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 1lfq h VAL 62 CO -0.13 0.41 -0.01 0.00 0.02 0.00 0.00 177.57 177.87 1lfq h ALA 63 N 0.66 0.22 -0.75 1.67 0.00 -0.76 -1.68 119.26 118.62 1lfq h ALA 63 Ca 0.04 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.09 1lfq h ALA 63 Cb 0.73 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1lfq h ALA 63 CO 0.05 -0.42 0.49 -0.44 0.00 0.00 0.00 179.25 178.93 1lfq h ASP 64 N 0.07 0.69 0.39 0.00 3.32 -1.33 0.31 116.42 119.87 1lfq h ASP 64 Ca 0.12 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.05 1lfq h ASP 64 Cb 0.16 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1lfq h ASP 64 CO -0.21 0.44 -0.55 0.00 -1.72 0.00 0.00 179.24 177.20 1lfq h ALA 65 N 1.60 0.98 -0.03 3.45 0.00 -1.19 -0.30 119.26 123.77 1lfq h ALA 65 Ca 0.33 -0.50 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1lfq h ALA 65 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1lfq h ALA 65 CO -0.11 0.69 -0.82 -0.07 0.00 0.00 0.00 179.25 178.94 1lfq h LEU 66 N 0.13 0.39 -0.70 0.00 3.38 -0.11 -2.67 115.31 115.74 1lfq h LEU 66 Ca -0.00 -0.29 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1lfq h LEU 66 Cb 1.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1lfq h LEU 66 CO 0.08 1.06 -0.34 0.74 0.09 0.00 0.00 178.44 180.07 1lfq h THR 67 N 0.20 1.29 0.00 0.22 2.02 -0.15 -1.56 112.91 114.92 1lfq h THR 67 Ca -0.04 -1.47 -0.04 0.00 0.77 0.00 0.00 66.41 65.62 1lfq h THR 67 Cb 1.42 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.25 1lfq h THR 67 CO 0.13 0.47 -0.21 -1.13 0.37 0.00 0.00 175.52 175.16 1lfq h ASN 68 N 0.53 0.00 -0.00 4.18 -0.73 -1.02 -2.15 115.58 116.40 1lfq h ASN 68 Ca 0.06 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.17 1lfq h ASN 68 Cb 0.83 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.43 1lfq h ASN 68 CO 0.07 0.21 -0.22 0.00 -0.37 0.00 0.00 177.43 177.12 1lfq h ALA 69 N 1.79 0.03 -0.97 1.57 0.00 -1.00 -3.31 119.26 117.38 1lfq h ALA 69 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1lfq h ALA 69 Cb 0.39 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1lfq h ALA 69 CO 0.03 0.07 0.61 0.28 0.00 0.00 0.00 179.25 180.23 1lfq h VAL 70 N -0.53 1.26 -2.11 0.00 2.07 -1.16 0.10 116.25 115.88 1lfq h VAL 70 Ca -0.03 -0.53 -0.78 0.00 0.82 0.00 0.00 66.70 66.18 1lfq h VAL 70 Cb 0.98 -0.13 -0.22 0.00 -1.52 0.00 0.00 31.29 30.40 1lfq h VAL 70 CO 0.04 0.27 1.44 0.00 0.02 0.00 0.00 177.57 179.34 1lfq n ALA 71 N -2.39 5.41 0.00 1.67 0.00 -0.82 -3.33 120.51 121.06 1lfq n ALA 71 Ca 0.11 -4.55 0.00 0.00 0.00 0.00 0.00 53.44 49.01 1lfq n ALA 71 Cb 0.04 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 16.85 1lfq n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfq n HIS 72 N 2.36 0.00 -0.20 0.00 -0.00 -1.16 -4.83 115.22 111.40 1lfq n HIS 72 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.07 1lfq n HIS 72 Cb 0.34 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.42 1lfq n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1lfq h VAL 73 N 0.00 0.49 0.00 1.59 3.04 -0.78 0.15 116.25 120.73 1lfq h VAL 73 Ca 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.66 1lfq h VAL 73 Cb 0.00 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 29.66 1lfq h VAL 73 CO 0.00 0.02 0.00 0.47 -1.01 0.00 0.00 177.57 177.05 1lfq n ASP 74 N -5.30 0.00 -2.72 3.17 10.43 -1.26 -2.98 116.55 117.89 1lfq n ASP 74 Ca 0.08 -0.03 -0.08 0.00 2.57 0.00 0.00 54.79 57.33 1lfq n ASP 74 Cb 0.34 0.00 0.09 0.00 1.84 0.00 0.00 41.12 43.40 1lfq n ASP 74 CO 0.00 0.00 0.00 -0.67 -1.07 0.00 0.00 177.20 175.46 1lfq n ASP 75 N -0.69 -2.14 -0.02 -2.24 4.64 0.03 -5.03 116.55 111.10 1lfq n ASP 75 Ca 0.00 -3.35 -0.13 0.00 -1.38 0.00 0.00 54.79 49.93 1lfq n ASP 75 Cb 0.00 1.78 -0.10 0.00 -1.04 0.00 0.00 41.12 41.76 1lfq n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1lfq h MET 76 N 2.82 -0.01 -0.31 -0.67 2.86 -1.44 -3.10 114.93 115.09 1lfq h MET 76 Ca -0.14 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1lfq h MET 76 Cb 1.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.75 1lfq h MET 76 CO 0.10 0.57 -0.18 -0.35 1.06 0.00 0.00 176.91 178.11 1lfq n PRO 77 N -4.81 -0.14 -0.32 -0.22 -0.04 -1.26 0.93 135.00 129.13 1lfq n PRO 77 Ca -0.09 1.06 0.12 0.00 -0.04 0.00 0.00 63.50 64.56 1lfq n PRO 77 Cb 0.29 -1.58 0.34 0.00 -0.04 0.00 0.00 33.50 32.51 1lfq n PRO 77 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 1lfq h ASN 78 N 0.00 0.75 -0.40 3.54 -1.24 -1.99 0.13 115.58 116.37 1lfq h ASN 78 Ca 0.05 0.06 -0.12 0.00 0.71 0.00 0.00 56.30 57.01 1lfq h ASN 78 Cb 0.13 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1lfq h ASN 78 CO -0.29 0.33 -0.21 0.00 -1.29 0.00 0.00 177.43 175.97 1lfq h ALA 79 N 1.60 0.56 -0.66 1.57 0.00 0.63 -2.96 119.26 120.01 1lfq h ALA 79 Ca 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1lfq h ALA 79 Cb 0.79 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1lfq h ALA 79 CO -0.28 0.53 0.00 1.28 0.00 0.00 0.00 179.25 180.78 1lfq n LEU 80 N -4.22 3.93 -0.36 0.00 4.77 0.17 -4.53 117.00 116.76 1lfq n LEU 80 Ca -0.02 -1.97 -0.02 0.00 -0.03 0.00 0.00 56.01 53.97 1lfq n LEU 80 Cb 0.44 -0.49 0.02 0.00 -2.33 0.00 0.00 43.42 41.06 1lfq n LEU 80 CO 0.45 0.86 0.53 -1.54 -1.33 0.00 0.00 177.39 176.37 1lfq n SER 81 N 1.35 -0.66 0.12 -1.43 3.41 0.41 -1.15 113.62 115.67 1lfq n SER 81 Ca 0.23 1.64 -0.14 0.00 -0.26 0.00 0.00 58.87 60.34 1lfq n SER 81 Cb 0.67 -0.35 -0.08 0.00 -0.26 0.00 0.00 64.21 64.18 1lfq n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lfq h ALA 82 N 1.18 -0.25 0.00 7.33 0.00 -1.82 -2.68 119.26 123.02 1lfq h ALA 82 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1lfq h ALA 82 Cb 0.54 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1lfq h ALA 82 CO -0.92 -0.58 0.00 -0.07 0.00 0.00 0.00 179.25 177.67 1lfq h LEU 83 N -0.36 0.00 0.33 0.00 3.38 -1.54 -2.35 115.31 114.77 1lfq h LEU 83 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1lfq h LEU 83 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1lfq h LEU 83 CO 0.04 0.00 -0.16 0.28 0.09 0.00 0.00 178.44 178.69 1lfq h SER 84 N 0.00 -0.37 -0.48 -0.43 0.02 -0.78 -2.39 113.55 109.12 1lfq h SER 84 Ca 0.00 -0.17 0.08 0.00 -0.84 0.00 0.00 61.79 60.86 1lfq h SER 84 Cb 0.03 0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.61 1lfq h SER 84 CO 0.00 0.00 0.11 0.44 -1.14 0.00 0.00 176.83 176.24 1lfq h ASP 85 N -0.80 0.03 0.07 3.07 3.32 -1.43 -0.18 116.42 120.50 1lfq h ASP 85 Ca -0.05 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.10 1lfq h ASP 85 Cb 0.52 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.14 1lfq h ASP 85 CO 0.07 0.05 -0.17 0.25 -1.72 0.00 0.00 179.24 177.72 1lfq h LEU 86 N 0.25 -0.49 -0.36 1.55 7.12 -1.53 0.83 115.31 122.68 1lfq h LEU 86 Ca 0.24 0.06 -0.19 0.00 0.13 0.00 0.00 57.88 58.12 1lfq h LEU 86 Cb 0.30 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 1lfq h LEU 86 CO -0.30 -0.25 -0.80 0.45 -0.13 0.00 0.00 178.44 177.41 1lfq h HIS 87 N -0.32 0.40 0.06 1.25 3.86 -1.25 -0.86 115.15 118.30 1lfq h HIS 87 Ca 0.03 -0.20 -0.36 0.00 -1.16 0.00 0.00 60.37 58.68 1lfq h HIS 87 Cb 0.36 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.73 1lfq h HIS 87 CO -0.19 0.97 -2.09 0.00 0.86 0.00 0.00 177.93 177.48 1lfq n ALA 88 N -2.49 1.06 -0.06 2.45 0.00 -0.10 -1.47 120.51 119.91 1lfq n ALA 88 Ca -0.04 -0.77 -0.05 0.00 0.00 0.00 0.00 53.44 52.57 1lfq n ALA 88 Cb 0.75 -0.42 -0.04 0.00 0.00 0.00 0.00 19.45 19.74 1lfq n ALA 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1lfq h HIS 89 N -0.18 0.00 0.15 0.00 3.86 0.53 -3.28 115.15 116.23 1lfq h HIS 89 Ca -0.49 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.45 1lfq h HIS 89 Cb 1.86 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.36 1lfq h HIS 89 CO 0.05 0.30 -1.16 -0.22 0.86 0.00 0.00 177.93 177.76 1lfq h LYS 90 N -1.00 0.52 0.00 2.45 3.64 -1.31 -3.38 116.57 117.50 1lfq h LYS 90 Ca -0.02 -0.76 -0.08 0.00 -1.27 0.00 0.00 60.65 58.51 1lfq h LYS 90 Cb 0.38 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1lfq h LYS 90 CO -0.02 1.35 -1.57 1.28 -2.27 0.00 0.00 179.45 178.22 1lfq n LEU 91 N -3.88 0.49 -3.79 5.20 4.77 -0.34 -5.00 117.00 114.46 1lfq n LEU 91 Ca -0.14 0.20 -0.25 0.00 -0.03 0.00 0.00 56.01 55.79 1lfq n LEU 91 Cb 0.96 0.05 0.03 0.00 -2.33 0.00 0.00 43.42 42.13 1lfq n LEU 91 CO 0.56 0.03 0.02 0.54 -1.33 0.00 0.00 177.39 177.21 1lfq n ARG 92 N -2.61 -5.35 -2.06 3.23 5.12 -0.96 -4.90 116.66 109.14 1lfq n ARG 92 Ca -0.07 0.62 -0.42 0.00 -1.93 0.00 0.00 57.85 56.05 1lfq n ARG 92 Cb 0.69 -5.35 -0.03 0.00 -1.16 0.00 0.00 32.46 26.61 1lfq n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1lfq s VAL 93 N -3.49 3.12 0.24 1.55 1.01 -0.54 -4.93 120.40 117.35 1lfq s VAL 93 Ca 0.31 0.72 -0.31 0.00 0.00 0.00 0.00 61.98 62.70 1lfq s VAL 93 Cb -0.16 -3.46 -0.13 0.00 0.00 0.00 0.00 36.38 32.63 1lfq s VAL 93 CO 0.82 0.03 1.51 -0.67 0.00 0.00 0.00 175.10 176.79 1lfq n ASP 94 N 4.55 3.20 0.25 3.32 -0.08 -1.26 -4.84 116.55 121.69 1lfq n ASP 94 Ca 0.13 1.13 0.08 0.00 -1.51 0.00 0.00 54.79 54.62 1lfq n ASP 94 Cb 0.41 -1.48 0.63 0.00 2.34 0.00 0.00 41.12 43.02 1lfq n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lfq h PRO 95 N 4.88 0.01 -0.97 -0.67 0.11 -1.99 -2.47 132.00 130.91 1lfq h PRO 95 Ca -0.45 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1lfq h PRO 95 Cb 1.25 -0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.30 1lfq h PRO 95 CO 0.81 0.01 0.63 -0.24 -0.21 0.00 0.00 178.00 179.00 1lfq h VAL 96 N 0.01 1.11 0.00 3.15 3.04 -2.03 -2.45 116.25 119.09 1lfq h VAL 96 Ca 0.00 -0.40 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 1lfq h VAL 96 Cb 0.00 -0.15 0.00 0.00 -2.01 0.00 0.00 31.29 29.13 1lfq h VAL 96 CO -0.00 0.21 0.08 0.59 -1.01 0.00 0.00 177.57 177.44 1lfq n ASN 97 N -4.47 0.40 0.05 3.17 5.03 -0.93 -1.07 115.26 117.45 1lfq n ASN 97 Ca 0.14 0.66 -0.09 0.00 0.87 0.00 0.00 54.58 56.16 1lfq n ASN 97 Cb 0.15 -0.69 -0.13 0.00 -1.02 0.00 0.00 39.78 38.10 1lfq n ASN 97 CO 0.00 0.00 0.00 -0.26 -1.83 0.00 0.00 177.26 175.17 1lfq h PHE 98 N 0.00 0.07 0.00 3.10 0.04 -1.61 -2.95 116.94 115.59 1lfq h PHE 98 Ca 0.00 -0.05 -0.12 0.00 2.80 0.00 0.00 57.97 60.59 1lfq h PHE 98 Cb 0.16 -0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.29 1lfq h PHE 98 CO 0.00 1.05 -0.58 0.87 -0.60 0.00 0.00 178.31 179.05 1lfq h LYS 99 N 0.01 0.00 0.00 1.51 1.57 -1.24 -1.82 116.57 116.60 1lfq h LYS 99 Ca -0.07 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.53 1lfq h LYS 99 Cb 1.84 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.12 1lfq h LYS 99 CO 0.13 0.58 -0.82 -0.07 -0.57 0.00 0.00 179.45 178.70 1lfq h LEU 100 N 0.00 0.04 0.18 2.94 3.38 -1.55 -2.90 115.31 117.41 1lfq h LEU 100 Ca -0.01 -0.03 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 1lfq h LEU 100 Cb 1.04 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.79 1lfq h LEU 100 CO 0.08 0.84 -1.33 0.25 0.09 0.00 0.00 178.44 178.37 1lfq h LEU 101 N 0.01 0.61 -1.76 1.67 5.85 -1.44 -2.99 115.31 117.26 1lfq h LEU 101 Ca -0.01 -0.92 0.12 0.00 0.84 0.00 0.00 57.88 57.90 1lfq h LEU 101 Cb 1.45 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.25 1lfq h LEU 101 CO 0.11 1.62 0.39 0.28 -0.34 0.00 0.00 178.44 180.50 1lfq h SER 102 N -0.10 0.23 0.04 1.25 0.02 -1.39 0.55 113.55 114.16 1lfq h SER 102 Ca -0.25 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.71 1lfq h SER 102 Cb 1.93 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.43 1lfq h SER 102 CO 0.18 0.14 -0.02 -0.74 -1.14 0.00 0.00 176.83 175.25 1lfq h HIS 103 N 0.26 -0.05 0.00 3.45 -0.00 -1.54 -2.40 115.15 114.87 1lfq h HIS 103 Ca 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1lfq h HIS 103 Cb 0.70 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 1lfq h HIS 103 CO -0.00 0.49 0.00 0.00 -0.00 0.00 0.00 177.93 178.42 1lfq h LEU 105 N 0.00 0.23 0.00 0.00 5.85 -0.78 -2.18 115.31 118.43 1lfq h LEU 105 Ca 0.00 -0.25 -0.21 0.00 0.84 0.00 0.00 57.88 58.26 1lfq h LEU 105 Cb 0.20 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 1lfq h LEU 105 CO 0.00 1.20 -1.01 -0.07 -0.34 0.00 0.00 178.44 178.22 1lfq h LEU 106 N 0.04 0.00 -0.66 2.25 3.38 -0.65 -2.66 115.31 117.01 1lfq h LEU 106 Ca -0.09 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1lfq h LEU 106 Cb 1.89 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1lfq h LEU 106 CO 0.17 0.98 -0.59 0.58 0.09 0.00 0.00 178.44 179.67 1lfq h VAL 107 N 0.00 1.28 -0.00 1.22 2.07 -1.25 -1.37 116.25 118.19 1lfq h VAL 107 Ca -0.02 -2.13 -0.26 0.00 0.82 0.00 0.00 66.70 65.12 1lfq h VAL 107 Cb 1.77 2.19 0.02 0.00 -1.52 0.00 0.00 31.29 33.75 1lfq h VAL 107 CO 0.13 0.58 -1.01 0.74 0.02 0.00 0.00 177.57 178.02 1lfq h THR 108 N 0.00 1.31 -0.12 2.57 2.02 -1.37 -2.87 112.91 114.44 1lfq h THR 108 Ca -0.01 -2.29 -0.07 0.00 0.77 0.00 0.00 66.41 64.82 1lfq h THR 108 Cb 1.15 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1lfq h THR 108 CO 0.08 0.70 -0.18 -0.07 0.37 0.00 0.00 175.52 176.42 1lfq h LEU 109 N 0.36 0.37 -1.88 2.58 4.07 -1.43 -3.09 115.31 116.29 1lfq h LEU 109 Ca -0.12 -0.53 0.02 0.00 0.08 0.00 0.00 57.88 57.34 1lfq h LEU 109 Cb 1.66 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 43.29 1lfq h LEU 109 CO 0.19 0.82 0.13 0.00 -1.08 0.00 0.00 178.44 178.50 1lfq h ALA 110 N 0.55 1.97 -0.01 1.53 0.00 -1.32 0.23 119.26 122.22 1lfq h ALA 110 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1lfq h ALA 110 Cb 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1lfq h ALA 110 CO 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 179.25 179.27 1lfq n ALA 111 N -2.53 2.66 0.00 0.00 0.00 -1.09 -3.91 120.51 115.65 1lfq n ALA 111 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1lfq n ALA 111 Cb 0.15 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1lfq n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfq n HIS 112 N -0.56 0.00 -3.29 0.00 -0.00 -0.23 -4.88 115.22 106.26 1lfq n HIS 112 Ca 0.20 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.67 1lfq n HIS 112 Cb 0.24 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.15 1lfq n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfq n LEU 113 N -1.42 2.36 -0.26 2.41 4.77 0.65 -4.93 117.00 120.58 1lfq n LEU 113 Ca 0.00 -5.17 0.07 0.00 -0.03 0.00 0.00 56.01 50.89 1lfq n LEU 113 Cb 0.11 -0.12 0.32 0.00 -2.33 0.00 0.00 43.42 41.41 1lfq n LEU 113 CO 0.00 2.09 1.23 1.55 -1.33 0.00 0.00 177.39 180.93 1lfq h PRO 114 N 3.98 0.81 -0.24 3.23 0.13 -1.83 -1.46 132.00 136.62 1lfq h PRO 114 Ca 0.14 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 65.12 1lfq h PRO 114 Cb 0.75 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.69 1lfq h PRO 114 CO 0.68 0.53 -0.24 0.00 -0.23 0.00 0.00 178.00 178.75 1lfq h ALA 115 N 1.57 0.35 0.25 -0.56 0.00 -1.94 -3.35 119.26 115.58 1lfq h ALA 115 Ca 0.39 -0.38 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1lfq h ALA 115 Cb 0.40 -0.08 0.04 0.00 0.00 0.00 0.00 17.79 18.15 1lfq h ALA 115 CO -0.16 0.32 -1.48 1.05 0.00 0.00 0.00 179.25 178.99 1lfq h GLU 116 N 0.29 0.52 -4.27 0.00 9.09 -1.92 -3.41 114.58 114.90 1lfq h GLU 116 Ca 0.04 -0.89 -0.13 0.00 0.05 0.00 0.00 59.36 58.43 1lfq h GLU 116 Cb 0.80 0.33 0.03 0.00 -1.65 0.00 0.00 28.75 28.26 1lfq h GLU 116 CO 0.06 1.43 0.93 0.34 0.05 0.00 0.00 179.01 181.81 1lfq n PHE 117 N -3.73 0.00 -2.69 2.06 7.35 -0.57 -4.73 117.46 115.14 1lfq n PHE 117 Ca -0.18 -0.41 -0.28 0.00 -0.76 0.00 0.00 57.45 55.82 1lfq n PHE 117 Cb 1.09 -0.58 -0.01 0.00 0.35 0.00 0.00 39.48 40.33 1lfq n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfq s THR 118 N 4.82 4.88 0.31 -2.13 -4.23 -1.26 -4.80 115.64 113.23 1lfq s THR 118 Ca 0.15 0.31 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1lfq s THR 118 Cb 0.03 -3.83 0.30 0.00 1.34 0.00 0.00 72.50 70.35 1lfq s THR 118 CO 0.08 -0.76 1.72 -0.65 -0.54 0.00 0.00 174.62 174.46 1lfq h PRO 119 N 0.50 0.52 -0.08 3.99 0.11 -1.98 0.49 132.00 135.55 1lfq h PRO 119 Ca -0.47 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1lfq h PRO 119 Cb 1.20 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1lfq h PRO 119 CO 0.62 0.34 0.04 0.00 -0.21 0.00 0.00 178.00 178.79 1lfq h ALA 120 N 1.72 0.10 -0.16 -0.75 0.00 -1.94 -0.88 119.26 117.36 1lfq h ALA 120 Ca 0.62 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.33 1lfq h ALA 120 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1lfq h ALA 120 CO -0.49 -0.34 -0.44 0.28 0.00 0.00 0.00 179.25 178.26 1lfq h VAL 121 N -0.00 1.32 -0.61 0.00 2.07 -1.52 -1.89 116.25 115.61 1lfq h VAL 121 Ca 0.03 -1.62 0.06 0.00 0.82 0.00 0.00 66.70 65.98 1lfq h VAL 121 Cb 0.12 1.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1lfq h VAL 121 CO -0.00 0.50 0.32 -0.74 0.02 0.00 0.00 177.57 177.66 1lfq h HIS 122 N 0.33 0.59 -0.38 1.57 6.17 0.20 -0.88 115.15 122.74 1lfq h HIS 122 Ca 0.02 0.02 -0.12 0.00 0.71 0.00 0.00 60.37 61.00 1lfq h HIS 122 Cb 0.91 -0.17 -0.01 0.00 2.52 0.00 0.00 27.41 30.66 1lfq h HIS 122 CO 0.03 0.27 -0.26 0.00 0.71 0.00 0.00 177.93 178.68 1lfq h ALA 123 N 1.33 0.83 -0.50 5.26 0.00 -0.77 -2.77 119.26 122.64 1lfq h ALA 123 Ca 0.28 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1lfq h ALA 123 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1lfq h ALA 123 CO -0.19 0.64 0.14 0.77 0.00 0.00 0.00 179.25 180.62 1lfq h SER 124 N 0.68 0.74 -0.35 0.00 0.02 -0.59 -2.46 113.55 111.59 1lfq h SER 124 Ca 0.09 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1lfq h SER 124 Cb 0.79 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 1lfq h SER 124 CO 0.06 0.77 0.10 -0.07 -1.14 0.00 0.00 176.83 176.55 1lfq h LEU 125 N 0.68 0.52 -1.43 5.07 4.07 -1.19 -1.64 115.31 121.39 1lfq h LEU 125 Ca 0.16 -0.22 0.14 0.00 0.08 0.00 0.00 57.88 58.04 1lfq h LEU 125 Cb 0.30 -0.14 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 1lfq h LEU 125 CO -0.00 0.60 0.53 -0.78 -1.08 0.00 0.00 178.44 177.71 1lfq h ASP 126 N 0.41 0.54 0.20 -0.43 1.82 -1.36 0.38 116.42 117.97 1lfq h ASP 126 Ca 0.11 0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.57 1lfq h ASP 126 Cb 0.27 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.20 1lfq h ASP 126 CO -0.00 0.28 -0.83 0.11 -1.61 0.00 0.00 179.24 177.19 1lfq h LYS 127 N 0.57 0.49 0.13 0.28 1.57 -1.06 -1.88 116.57 116.67 1lfq h LYS 127 Ca 0.40 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1lfq h LYS 127 Cb 0.74 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.15 1lfq h LYS 127 CO -0.16 1.09 -0.06 0.35 -0.57 0.00 0.00 179.45 180.10 1lfq h PHE 128 N 0.31 -0.16 0.00 -1.35 3.57 0.14 0.52 116.94 119.97 1lfq h PHE 128 Ca -0.06 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.39 1lfq h PHE 128 Cb 1.44 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.22 1lfq h PHE 128 CO 0.06 0.01 -0.25 -0.07 -2.23 0.00 0.00 178.31 175.83 1lfq h LEU 129 N -0.30 0.00 -0.29 0.59 3.38 -0.43 0.14 115.31 118.40 1lfq h LEU 129 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1lfq h LEU 129 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1lfq h LEU 129 CO 0.03 0.25 -0.40 0.00 0.09 0.00 0.00 178.44 178.41 1lfq h ALA 130 N 1.75 0.44 -0.28 1.53 0.00 -1.02 -1.01 119.26 120.67 1lfq h ALA 130 Ca -0.00 -0.45 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 1lfq h ALA 130 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1lfq h ALA 130 CO 0.03 0.54 -0.51 0.77 0.00 0.00 0.00 179.25 180.09 1lfq h SER 131 N 0.54 0.86 -0.67 0.00 0.02 -0.28 -1.40 113.55 112.63 1lfq h SER 131 Ca 0.03 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 1lfq h SER 131 Cb 0.99 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 63.26 1lfq h SER 131 CO 0.09 1.21 0.25 0.58 -1.14 0.00 0.00 176.83 177.83 1lfq h VAL 132 N 0.61 1.24 -0.58 2.27 2.07 -0.70 -2.19 116.25 118.97 1lfq h VAL 132 Ca 0.02 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1lfq h VAL 132 Cb 1.09 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1lfq h VAL 132 CO 0.11 0.31 0.27 0.28 0.02 0.00 0.00 177.57 178.56 1lfq h SER 133 N 0.95 0.77 -0.90 0.57 0.02 -0.98 -2.45 113.55 111.52 1lfq h SER 133 Ca 0.22 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 1lfq h SER 133 Cb 0.24 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.54 1lfq h SER 133 CO -0.01 0.69 0.53 0.74 -1.14 0.00 0.00 176.83 177.64 1lfq h THR 134 N 0.79 1.25 -0.26 -2.27 2.02 -0.99 -1.79 112.91 111.66 1lfq h THR 134 Ca 0.20 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1lfq h THR 134 Cb 0.13 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.52 1lfq h THR 134 CO -0.02 0.27 0.07 0.58 0.37 0.00 0.00 175.52 176.79 1lfq h VAL 135 N 1.25 1.20 0.00 3.16 2.07 -1.19 -0.01 116.25 122.74 1lfq h VAL 135 Ca 0.32 -0.65 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1lfq h VAL 135 Cb -0.04 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1lfq h VAL 135 CO -0.06 0.21 -0.01 -0.07 0.02 0.00 0.00 177.57 177.66 1lfq h LEU 136 N 0.25 0.00 -3.10 2.57 3.38 -1.13 -1.71 115.31 115.57 1lfq h LEU 136 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lfq h LEU 136 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1lfq h LEU 136 CO -0.00 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.89 1lfq n THR 137 N -3.11 1.71 -0.11 0.22 -2.24 -0.70 -4.27 114.28 105.78 1lfq n THR 137 Ca -0.00 -1.37 -0.12 0.00 -2.27 0.00 0.00 64.05 60.29 1lfq n THR 137 Cb 0.26 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1lfq n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1lfq h SER 138 N 2.55 0.95 0.00 3.42 4.64 -0.02 -2.98 113.55 122.10 1lfq h SER 138 Ca 0.00 -0.41 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 1lfq h SER 138 Cb 1.20 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1lfq h SER 138 CO 0.15 1.19 0.00 1.17 -0.87 0.00 0.00 176.83 178.47 1lfq n LYS 139 N -4.07 0.62 -0.01 4.77 3.00 -1.26 -2.13 118.16 119.08 1lfq n LYS 139 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.28 1lfq n LYS 139 Cb 0.52 -1.24 -0.01 0.00 0.00 0.00 0.00 35.03 34.30 1lfq n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lfq n TYR 140 N 0.49 0.00 0.69 5.64 0.53 -1.13 -4.81 117.16 118.56 1lfq n TYR 140 Ca 0.00 0.00 0.06 0.00 -1.02 0.00 0.00 57.90 56.94 1lfq n TYR 140 Cb 0.24 -0.06 0.33 0.00 -1.03 0.00 0.00 39.34 38.83 1lfq n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38