#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfv n LEU 2 N 0.00 -5.88 -4.96 6.55 4.77 -1.26 -5.04 117.00 111.19 1lfv n LEU 2 Ca 0.00 3.26 -0.22 0.00 -0.03 0.00 0.00 56.01 59.02 1lfv n LEU 2 Cb 0.00 -3.14 -0.01 0.00 -2.33 0.00 0.00 43.42 37.94 1lfv n LEU 2 CO 0.00 -1.60 0.08 -0.94 -1.33 0.00 0.00 177.39 173.60 1lfv s SER 3 N -0.69 6.20 0.45 -1.43 1.04 -1.26 -4.88 113.70 113.13 1lfv s SER 3 Ca 0.00 0.18 0.19 0.00 0.48 0.00 0.00 55.95 56.81 1lfv s SER 3 Cb 0.00 -1.78 1.16 0.00 0.10 0.00 0.00 66.02 65.49 1lfv s SER 3 CO 0.00 -0.27 1.90 1.55 0.98 0.00 0.00 173.24 177.40 1lfv h PRO 4 N 0.90 0.30 -0.15 4.02 0.13 -1.98 0.74 132.00 135.96 1lfv h PRO 4 Ca -0.50 -0.02 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 1lfv h PRO 4 Cb 1.23 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1lfv h PRO 4 CO 0.59 0.20 -0.46 0.00 -0.23 0.00 0.00 178.00 178.11 1lfv h ALA 5 N 1.63 0.94 0.06 -0.56 0.00 -1.99 -1.63 119.26 117.71 1lfv h ALA 5 Ca 0.40 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1lfv h ALA 5 Cb 1.10 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1lfv h ALA 5 CO -0.11 0.64 -0.03 -0.44 0.00 0.00 0.00 179.25 179.31 1lfv h ASP 6 N 0.30 -0.07 -0.81 0.00 3.45 -0.13 -2.95 116.42 116.21 1lfv h ASP 6 Ca 0.02 -0.51 0.20 0.00 0.43 0.00 0.00 57.03 57.17 1lfv h ASP 6 Cb 0.93 0.02 -0.13 0.00 -0.56 0.00 0.00 39.33 39.59 1lfv h ASP 6 CO 0.08 0.51 0.20 0.11 -1.57 0.00 0.00 179.24 178.56 1lfv h LYS 7 N -0.69 0.23 -0.84 3.56 1.57 -0.22 0.10 116.57 120.28 1lfv h LYS 7 Ca -0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1lfv h LYS 7 Cb 0.58 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 1lfv h LYS 7 CO 0.01 0.15 0.45 1.15 -0.57 0.00 0.00 179.45 180.64 1lfv h THR 8 N 0.24 1.25 -0.02 -0.16 2.02 -1.30 -0.57 112.91 114.36 1lfv h THR 8 Ca 0.48 -0.63 -0.17 0.00 0.77 0.00 0.00 66.41 66.86 1lfv h THR 8 Cb 0.90 0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1lfv h THR 8 CO -0.59 0.28 -0.74 0.78 0.37 0.00 0.00 175.52 175.62 1lfv h ASN 9 N 1.18 0.19 0.01 4.18 -0.26 -0.68 0.12 115.58 120.32 1lfv h ASN 9 Ca 0.29 -0.13 -0.00 0.00 -0.56 0.00 0.00 56.30 55.90 1lfv h ASN 9 Cb 0.05 -0.06 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 1lfv h ASN 9 CO -0.04 0.86 -0.00 0.58 -1.06 0.00 0.00 177.43 177.76 1lfv h VAL 10 N 0.10 1.46 0.00 2.81 2.07 -0.96 0.11 116.25 121.85 1lfv h VAL 10 Ca -0.02 -1.44 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 1lfv h VAL 10 Cb 1.31 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 33.51 1lfv h VAL 10 CO 0.11 0.37 -0.21 0.11 0.02 0.00 0.00 177.57 177.97 1lfv h LYS 11 N -0.63 0.00 0.35 1.57 1.57 -1.15 0.11 116.57 118.40 1lfv h LYS 11 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1lfv h LYS 11 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1lfv h LYS 11 CO 0.00 0.21 -0.17 0.00 -0.57 0.00 0.00 179.45 178.92 1lfv h ALA 12 N 1.79 -0.47 -0.55 3.86 0.00 -0.68 -2.70 119.26 120.51 1lfv h ALA 12 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1lfv h ALA 12 Cb 0.37 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1lfv h ALA 12 CO 0.03 -0.48 0.33 0.00 0.00 0.00 0.00 179.25 179.13 1lfv h ALA 13 N -0.87 1.55 -0.12 0.00 0.00 -0.61 -2.24 119.26 116.96 1lfv h ALA 13 Ca -0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 1lfv h ALA 13 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1lfv h ALA 13 CO 0.08 0.40 -0.60 2.35 0.00 0.00 0.00 179.25 181.47 1lfv h TRP 14 N 0.76 0.54 -0.03 0.00 2.91 -0.87 -3.02 115.95 116.25 1lfv h TRP 14 Ca 0.20 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1lfv h TRP 14 Cb -0.03 -0.10 -0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1lfv h TRP 14 CO 0.00 0.92 -0.00 0.78 -1.03 0.00 0.00 178.44 179.11 1lfv h GLY 15 N 1.23 0.02 2.00 2.65 0.00 -1.06 -1.03 103.07 106.88 1lfv h GLY 15 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1lfv h GLY 15 CO 0.10 -0.01 0.00 0.28 0.00 0.00 0.00 176.54 176.92 1lfv n LYS 16 N -5.10 0.00 -0.04 4.80 4.76 -1.03 -1.88 118.16 119.67 1lfv n LYS 16 Ca -0.06 0.45 -0.22 0.00 -2.87 0.00 0.00 58.31 55.61 1lfv n LYS 16 Cb 0.04 -1.50 -0.13 0.00 -1.84 0.00 0.00 35.03 31.60 1lfv n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1lfv n VAL 17 N -1.51 1.69 0.00 -0.18 0.31 -0.47 -4.96 118.33 113.21 1lfv n VAL 17 Ca 0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.83 1lfv n VAL 17 Cb 0.04 -1.77 0.00 0.00 -0.91 0.00 0.00 33.84 31.20 1lfv n VAL 17 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1lfv n GLY 18 N 1.88 0.75 0.19 2.92 0.00 -0.70 -2.36 105.19 107.87 1lfv n GLY 18 Ca -0.35 0.05 0.18 0.00 0.00 0.00 0.00 46.02 45.90 1lfv n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfv n ALA 19 N 2.63 0.59 1.30 4.61 0.00 -1.26 0.62 120.51 128.99 1lfv n ALA 19 Ca 0.00 0.61 0.14 0.00 0.00 0.00 0.00 53.44 54.19 1lfv n ALA 19 Cb 0.00 -0.60 0.70 0.00 0.00 0.00 0.00 19.45 19.55 1lfv n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfv n HIS 20 N -4.39 0.00 -0.22 0.00 8.25 -1.00 -4.40 115.22 113.46 1lfv n HIS 20 Ca 0.22 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.62 1lfv n HIS 20 Cb 0.74 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 1lfv n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lfv n ALA 21 N -1.30 -0.34 -0.29 -1.41 0.00 0.20 0.35 120.51 117.71 1lfv n ALA 21 Ca 0.13 0.45 -0.01 0.00 0.00 0.00 0.00 53.44 54.01 1lfv n ALA 21 Cb 0.23 -0.04 0.11 0.00 0.00 0.00 0.00 19.45 19.75 1lfv n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lfv h GLY 22 N 0.00 1.18 0.60 0.00 0.00 -1.83 0.17 103.07 103.18 1lfv h GLY 22 Ca 0.09 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1lfv h GLY 22 CO -0.50 0.31 -0.37 0.83 0.00 0.00 0.00 176.54 176.80 1lfv h GLU 23 N 0.97 -0.74 -0.70 4.80 5.08 -0.40 -1.83 114.58 121.77 1lfv h GLU 23 Ca 0.33 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.84 1lfv h GLU 23 Cb 0.06 0.17 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 1lfv h GLU 23 CO -0.13 -0.49 0.46 1.88 -1.00 0.00 0.00 179.01 179.73 1lfv h TYR 24 N -0.76 0.60 0.00 4.33 0.99 -0.66 -0.81 116.97 120.66 1lfv h TYR 24 Ca -0.03 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1lfv h TYR 24 Cb 0.69 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 38.22 1lfv h TYR 24 CO -0.22 0.28 0.00 0.41 -0.00 0.00 0.00 178.16 178.64 1lfv n GLY 25 N -1.48 -1.09 0.11 3.88 0.00 0.55 -2.18 105.19 104.98 1lfv n GLY 25 Ca 0.12 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.26 1lfv n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfv n ALA 26 N -1.69 3.38 0.06 4.61 0.00 -0.33 -4.12 120.51 122.41 1lfv n ALA 26 Ca 0.02 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1lfv n ALA 26 Cb 0.17 -0.45 -0.06 0.00 0.00 0.00 0.00 19.45 19.11 1lfv n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1lfv h GLU 27 N 0.53 0.00 0.04 0.00 4.81 -1.18 -3.14 114.58 115.65 1lfv h GLU 27 Ca 0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1lfv h GLU 27 Cb 0.35 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.75 1lfv h GLU 27 CO 0.00 0.37 -1.10 0.00 -0.73 0.00 0.00 179.01 177.55 1lfv h ALA 28 N 1.42 0.12 -0.07 2.92 0.00 -1.72 -2.76 119.26 119.17 1lfv h ALA 28 Ca -0.12 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.06 1lfv h ALA 28 Cb 1.54 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.39 1lfv h ALA 28 CO 0.05 0.72 0.04 -0.07 0.00 0.00 0.00 179.25 179.99 1lfv h LEU 29 N 0.33 0.08 -0.82 0.00 3.38 -1.73 -1.03 115.31 115.52 1lfv h LEU 29 Ca -0.14 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1lfv h LEU 29 Cb 1.76 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 42.45 1lfv h LEU 29 CO 0.21 0.11 0.47 -0.08 0.09 0.00 0.00 178.44 179.24 1lfv h GLU 30 N 0.05 1.12 -0.97 1.13 4.81 -1.63 -0.81 114.58 118.29 1lfv h GLU 30 Ca 0.02 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1lfv h GLU 30 Cb 0.04 -0.23 -0.05 0.00 0.63 0.00 0.00 28.75 29.15 1lfv h GLU 30 CO -0.00 0.81 0.64 0.00 -0.73 0.00 0.00 179.01 179.73 1lfv h ARG 31 N 1.13 1.26 0.71 1.92 3.08 -1.22 -1.30 114.38 119.95 1lfv h ARG 31 Ca 0.29 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1lfv h ARG 31 Cb -0.00 -0.28 0.01 0.00 0.08 0.00 0.00 29.97 29.77 1lfv h ARG 31 CO -0.05 0.83 -0.34 1.98 -1.07 0.00 0.00 179.97 181.32 1lfv h MET 32 N 1.30 -0.92 -1.01 0.04 4.05 -0.43 0.87 114.93 118.83 1lfv h MET 32 Ca 0.36 0.06 0.25 0.00 -0.28 0.00 0.00 59.70 60.09 1lfv h MET 32 Cb -0.13 0.21 -0.09 0.00 -0.80 0.00 0.00 31.60 30.79 1lfv h MET 32 CO -0.08 -0.61 0.65 0.74 0.23 0.00 0.00 176.91 177.84 1lfv h PHE 33 N -1.22 0.66 0.14 1.39 0.04 -1.08 1.26 116.94 118.13 1lfv h PHE 33 Ca -0.10 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.69 1lfv h PHE 33 Cb 0.73 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1lfv h PHE 33 CO 0.01 0.10 -0.07 -0.07 -0.60 0.00 0.00 178.31 177.68 1lfv h LEU 34 N 0.42 -0.16 -0.63 1.54 4.07 -1.17 -3.16 115.31 116.22 1lfv h LEU 34 Ca 0.56 -0.32 -0.15 0.00 0.08 0.00 0.00 57.88 58.05 1lfv h LEU 34 Cb 1.38 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 43.15 1lfv h LEU 34 CO -0.27 0.43 -0.62 0.28 -1.08 0.00 0.00 178.44 177.19 1lfv h SER 35 N -0.95 0.28 -2.53 -0.43 0.02 -0.26 -3.35 113.55 106.33 1lfv h SER 35 Ca -0.02 -0.16 -0.60 0.00 -0.84 0.00 0.00 61.79 60.17 1lfv h SER 35 Cb 0.47 -0.08 -0.41 0.00 0.14 0.00 0.00 62.40 62.52 1lfv h SER 35 CO 0.03 0.82 -0.67 0.49 -1.14 0.00 0.00 176.83 176.36 1lfv n PHE 36 N -3.86 2.66 -0.44 3.45 3.01 0.43 -4.95 117.46 117.75 1lfv n PHE 36 Ca -0.02 -4.08 0.36 0.00 1.01 0.00 0.00 57.45 54.72 1lfv n PHE 36 Cb 0.63 -0.49 0.66 0.00 -0.01 0.00 0.00 39.48 40.27 1lfv n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1lfv h PRO 37 N 4.75 0.11 0.00 -1.08 0.11 -1.70 -1.02 132.00 133.18 1lfv h PRO 37 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1lfv h PRO 37 Cb 0.74 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.83 1lfv h PRO 37 CO 0.71 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.57 1lfv h THR 38 N 0.12 0.00 -0.01 -1.15 1.03 -1.92 -2.82 112.91 108.16 1lfv h THR 38 Ca 0.78 -0.18 0.00 0.00 -0.01 0.00 0.00 66.41 67.00 1lfv h THR 38 Cb 2.51 1.03 0.00 0.00 -1.07 0.00 0.00 68.15 70.63 1lfv h THR 38 CO -0.33 0.00 0.00 0.35 -0.01 0.00 0.00 175.52 175.53 1lfv n THR 39 N -2.78 0.01 0.15 0.00 -2.24 -0.39 -3.67 114.28 105.36 1lfv n THR 39 Ca -0.01 -0.07 0.05 0.00 -2.27 0.00 0.00 64.05 61.76 1lfv n THR 39 Cb 0.15 -0.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.21 1lfv n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1lfv h LYS 40 N 0.55 0.00 0.00 -0.78 1.57 -1.71 -3.33 116.57 112.87 1lfv h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1lfv h LYS 40 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1lfv h LYS 40 CO 0.00 0.32 0.00 -2.37 -0.57 0.00 0.00 179.45 176.83 1lfv n THR 41 N -3.13 0.00 0.00 -0.16 5.66 -1.24 0.08 114.28 115.49 1lfv n THR 41 Ca 0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1lfv n THR 41 Cb 0.68 -0.21 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 1lfv n THR 41 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 1lfv n TYR 42 N 0.08 0.00 -3.35 1.09 4.01 -1.25 -4.86 117.16 112.88 1lfv n TYR 42 Ca 0.00 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.47 1lfv n TYR 42 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 38.96 1lfv n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfv n PHE 43 N -1.40 3.30 -0.04 -0.72 3.01 0.11 -4.86 117.46 116.86 1lfv n PHE 43 Ca 0.00 -4.09 -0.11 0.00 1.01 0.00 0.00 57.45 54.26 1lfv n PHE 43 Cb 0.01 -0.53 -0.10 0.00 -0.01 0.00 0.00 39.48 38.85 1lfv n PHE 43 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1lfv h PRO 44 N 4.03 -0.03 0.00 -1.08 0.11 -1.89 -3.16 132.00 129.97 1lfv h PRO 44 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.29 1lfv h PRO 44 Cb 0.67 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1lfv h PRO 44 CO 0.80 0.66 0.00 -2.39 -0.21 0.00 0.00 178.00 176.86 1lfv n HIS 45 N -4.71 0.00 -4.12 0.65 1.44 -1.26 -4.62 115.22 102.60 1lfv n HIS 45 Ca -0.08 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.38 1lfv n HIS 45 Cb 0.34 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.40 1lfv n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lfv s PHE 46 N -2.00 3.08 -0.22 -1.40 2.99 -1.19 -5.09 117.98 114.14 1lfv s PHE 46 Ca 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 56.93 56.83 1lfv s PHE 46 Cb 0.02 -1.45 -0.04 0.00 0.00 0.00 0.00 43.02 41.54 1lfv s PHE 46 CO 0.03 0.52 0.08 0.34 -0.00 0.00 0.00 175.22 176.19 1lfv s ASP 47 N -3.28 5.47 -0.21 1.36 3.68 -1.26 -4.98 116.67 117.44 1lfv s ASP 47 Ca 0.31 -0.05 0.15 0.00 2.13 0.00 0.00 52.55 55.09 1lfv s ASP 47 Cb -0.09 -1.97 0.52 0.00 -1.45 0.00 0.00 42.92 39.94 1lfv s ASP 47 CO 0.23 0.06 1.44 0.18 0.13 0.00 0.00 175.17 177.21 1lfv n LEU 48 N 4.28 3.99 -4.83 -1.34 4.32 -1.26 -4.50 117.00 117.65 1lfv n LEU 48 Ca -0.16 -3.22 -0.31 0.00 -0.02 0.00 0.00 56.01 52.30 1lfv n LEU 48 Cb 0.52 -0.57 0.05 0.00 -1.62 0.00 0.00 43.42 41.80 1lfv n LEU 48 CO 0.33 0.83 0.72 -0.94 -1.22 0.00 0.00 177.39 177.11 1lfv s SER 49 N -2.09 5.38 0.55 -1.43 1.04 -1.26 -4.92 113.70 110.97 1lfv s SER 49 Ca 0.43 1.46 0.39 0.00 0.48 0.00 0.00 55.95 58.71 1lfv s SER 49 Cb 0.36 -2.33 1.58 0.00 0.10 0.00 0.00 66.02 65.73 1lfv s SER 49 CO 0.07 -1.42 1.75 -0.74 0.98 0.00 0.00 173.24 173.87 1lfv h HIS 50 N -0.71 0.00 -0.01 5.02 2.76 -2.03 -2.50 115.15 117.69 1lfv h HIS 50 Ca -0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1lfv h HIS 50 Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.18 1lfv h HIS 50 CO 0.58 0.00 -0.60 0.41 -1.30 0.00 0.00 177.93 177.02 1lfv n GLY 51 N -1.80 -0.33 1.66 5.26 0.00 -1.26 -5.02 105.19 103.70 1lfv n GLY 51 Ca 0.29 -0.50 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 1lfv n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lfv n SER 52 N -0.79 0.49 0.00 1.61 2.88 -0.95 -4.73 113.62 112.14 1lfv n SER 52 Ca 0.05 0.48 0.13 0.00 -1.33 0.00 0.00 58.87 58.21 1lfv n SER 52 Cb 0.32 -0.41 0.76 0.00 -0.75 0.00 0.00 64.21 64.13 1lfv n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lfv n ALA 53 N 2.33 2.45 0.03 -1.46 0.00 -1.26 -2.27 120.51 120.32 1lfv n ALA 53 Ca 0.18 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.31 1lfv n ALA 53 Cb -0.02 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 17.84 1lfv n ALA 53 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1lfv h GLN 54 N 0.00 0.19 -0.02 0.00 4.20 -1.86 -2.33 115.11 115.28 1lfv h GLN 54 Ca 0.00 -0.32 -0.24 0.00 0.06 0.00 0.00 58.65 58.14 1lfv h GLN 54 Cb 0.10 0.12 0.01 0.00 0.30 0.00 0.00 27.48 28.01 1lfv h GLN 54 CO 0.00 0.99 -0.96 0.28 -0.67 0.00 0.00 178.83 178.47 1lfv h VAL 55 N 0.05 1.32 -0.46 -0.54 2.07 -1.68 -1.46 116.25 115.56 1lfv h VAL 55 Ca -0.29 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 64.92 1lfv h VAL 55 Cb 2.01 2.33 -0.02 0.00 -1.52 0.00 0.00 31.29 34.09 1lfv h VAL 55 CO 0.13 0.70 0.12 0.11 0.02 0.00 0.00 177.57 178.64 1lfv h LYS 56 N 0.36 0.73 -0.43 1.57 6.56 -1.57 -0.10 116.57 123.68 1lfv h LYS 56 Ca -0.10 -0.17 -0.09 0.00 -1.06 0.00 0.00 60.65 59.23 1lfv h LYS 56 Cb 1.60 -0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 33.15 1lfv h LYS 56 CO 0.18 0.72 -0.09 0.78 -2.06 0.00 0.00 179.45 178.98 1lfv h GLY 57 N 0.61 0.81 1.19 3.86 0.00 -1.40 -2.95 103.07 105.19 1lfv h GLY 57 Ca 0.14 -0.59 -0.21 0.00 0.00 0.00 0.00 47.33 46.68 1lfv h GLY 57 CO 0.00 0.55 -0.67 0.84 0.00 0.00 0.00 176.54 177.25 1lfv h HIS 58 N 0.69 1.07 -0.23 5.60 6.17 -1.05 -2.97 115.15 124.43 1lfv h HIS 58 Ca 0.12 -0.43 0.07 0.00 0.71 0.00 0.00 60.37 60.84 1lfv h HIS 58 Cb 0.55 -0.18 -0.01 0.00 2.52 0.00 0.00 27.41 30.29 1lfv h HIS 58 CO 0.03 1.26 0.32 0.78 0.71 0.00 0.00 177.93 181.03 1lfv h GLY 59 N 0.65 0.00 1.72 5.26 0.00 -0.84 0.37 103.07 110.23 1lfv h GLY 59 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.07 1lfv h GLY 59 CO 0.14 0.00 -1.05 0.50 0.00 0.00 0.00 176.54 176.13 1lfv h LYS 60 N 0.00 0.23 0.35 4.80 1.57 -1.42 -1.97 116.57 120.13 1lfv h LYS 60 Ca 0.11 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.55 1lfv h LYS 60 Cb 0.74 0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1lfv h LYS 60 CO -0.00 1.09 -0.17 0.87 -0.57 0.00 0.00 179.45 180.67 1lfv h LYS 61 N 0.10 -0.45 -0.01 3.15 1.57 -0.29 -1.64 116.57 119.00 1lfv h LYS 61 Ca -0.08 0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1lfv h LYS 61 Cb 1.74 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 34.14 1lfv h LYS 61 CO 0.17 -0.17 -0.06 0.28 -0.57 0.00 0.00 179.45 179.10 1lfv h VAL 62 N -0.70 0.85 -0.80 0.50 2.07 -1.44 -0.64 116.25 116.09 1lfv h VAL 62 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 1lfv h VAL 62 Cb 0.49 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 31.04 1lfv h VAL 62 CO 0.08 0.00 0.44 0.00 0.02 0.00 0.00 177.57 178.11 1lfv h ALA 63 N 0.90 1.14 0.00 1.67 0.00 -1.38 -0.72 119.26 120.86 1lfv h ALA 63 Ca 0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1lfv h ALA 63 Cb 0.13 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1lfv h ALA 63 CO -0.06 0.05 -0.22 -0.25 0.00 0.00 0.00 179.25 178.76 1lfv n ASP 64 N -4.78 0.48 0.06 0.00 8.00 -0.62 -1.29 116.55 118.39 1lfv n ASP 64 Ca 0.13 0.31 -0.06 0.00 0.71 0.00 0.00 54.79 55.88 1lfv n ASP 64 Cb 0.29 -0.31 -0.11 0.00 -0.02 0.00 0.00 41.12 40.97 1lfv n ASP 64 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1lfv h ALA 65 N 2.76 0.43 0.08 2.24 0.00 0.01 -2.42 119.26 122.36 1lfv h ALA 65 Ca 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 54.91 53.82 1lfv h ALA 65 Cb 0.62 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.35 1lfv h ALA 65 CO 0.00 1.21 -0.72 -0.07 0.00 0.00 0.00 179.25 179.68 1lfv h LEU 66 N 0.00 0.49 -2.26 0.00 3.38 -1.03 -2.83 115.31 113.07 1lfv h LEU 66 Ca -0.04 -0.87 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 1lfv h LEU 66 Cb 1.75 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1lfv h LEU 66 CO 0.12 1.31 -0.05 0.74 0.09 0.00 0.00 178.44 180.65 1lfv h THR 67 N -0.25 0.45 0.00 0.22 2.02 -1.25 0.38 112.91 114.48 1lfv h THR 67 Ca -0.11 -0.25 -0.08 0.00 0.77 0.00 0.00 66.41 66.74 1lfv h THR 67 Cb 1.49 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 69.06 1lfv h THR 67 CO 0.14 0.05 -0.37 -1.13 0.37 0.00 0.00 175.52 174.58 1lfv h ASN 68 N 0.00 0.00 0.00 4.18 -0.73 -1.33 -2.87 115.58 114.83 1lfv h ASN 68 Ca -0.00 0.00 -0.06 0.00 1.87 0.00 0.00 56.30 58.11 1lfv h ASN 68 Cb 0.17 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.75 1lfv h ASN 68 CO 0.01 0.37 -0.33 0.00 -0.37 0.00 0.00 177.43 177.10 1lfv h ALA 69 N 1.63 0.07 -0.64 1.57 0.00 -0.07 -3.34 119.26 118.48 1lfv h ALA 69 Ca -0.00 -0.66 0.15 0.00 0.00 0.00 0.00 54.91 54.39 1lfv h ALA 69 Cb 0.99 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1lfv h ALA 69 CO 0.05 0.19 0.44 0.28 0.00 0.00 0.00 179.25 180.21 1lfv h VAL 70 N -1.00 0.77 -3.57 0.00 2.07 -1.24 0.21 116.25 113.49 1lfv h VAL 70 Ca -0.09 -0.07 -0.74 0.00 0.82 0.00 0.00 66.70 66.61 1lfv h VAL 70 Cb 1.03 0.54 -0.31 0.00 -1.52 0.00 0.00 31.29 31.03 1lfv h VAL 70 CO -0.05 0.04 -0.01 0.00 0.02 0.00 0.00 177.57 177.56 1lfv s ALA 71 N -5.21 4.13 0.00 1.67 0.00 -1.08 -3.73 121.76 117.54 1lfv s ALA 71 Ca -0.06 -3.56 0.00 0.00 0.00 0.00 0.00 51.96 48.34 1lfv s ALA 71 Cb 0.20 -3.11 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1lfv s ALA 71 CO 0.75 -2.19 0.00 0.72 0.00 0.00 0.00 175.76 175.04 1lfv n HIS 72 N 3.14 0.00 -0.22 0.00 -0.00 -1.11 -4.75 115.22 112.27 1lfv n HIS 72 Ca 0.16 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.90 1lfv n HIS 72 Cb 0.40 0.00 0.12 0.00 -0.00 0.00 0.00 29.99 30.51 1lfv n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1lfv h VAL 73 N 0.00 0.48 0.00 1.59 3.04 -0.67 0.49 116.25 121.18 1lfv h VAL 73 Ca 0.00 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.64 1lfv h VAL 73 Cb 0.00 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.61 1lfv h VAL 73 CO 0.00 0.02 0.00 0.47 -1.01 0.00 0.00 177.57 177.05 1lfv n ASP 74 N -5.27 0.00 -3.16 3.17 10.43 -1.26 -3.70 116.55 116.76 1lfv n ASP 74 Ca 0.10 0.38 -0.17 0.00 2.57 0.00 0.00 54.79 57.67 1lfv n ASP 74 Cb 0.38 -0.39 -0.06 0.00 1.84 0.00 0.00 41.12 42.89 1lfv n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1lfv s ASP 75 N -2.79 0.29 -0.20 -2.24 3.68 0.17 -4.98 116.67 110.60 1lfv s ASP 75 Ca 0.01 -2.33 -0.10 0.00 2.13 0.00 0.00 52.55 52.25 1lfv s ASP 75 Cb 0.01 0.59 -0.20 0.00 -1.45 0.00 0.00 42.92 41.88 1lfv s ASP 75 CO 0.03 -0.14 0.08 0.23 0.13 0.00 0.00 175.17 175.50 1lfv n MET 76 N 3.11 0.66 0.00 4.34 2.81 -1.20 -3.75 117.12 123.08 1lfv n MET 76 Ca 0.23 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1lfv n MET 76 Cb 0.51 -1.65 0.00 0.00 -0.71 0.00 0.00 33.22 31.37 1lfv n MET 76 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1lfv n PRO 77 N -3.83 0.00 -0.06 0.03 -0.04 -1.26 -0.04 135.00 129.80 1lfv n PRO 77 Ca -0.39 0.31 -0.10 0.00 -0.04 0.00 0.00 63.50 63.28 1lfv n PRO 77 Cb 0.91 -1.66 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 1lfv n PRO 77 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1lfv n ASN 78 N -1.29 2.25 -0.10 3.54 5.15 -1.26 -3.56 115.26 119.98 1lfv n ASN 78 Ca 0.00 0.02 -0.10 0.00 -0.60 0.00 0.00 54.58 53.89 1lfv n ASN 78 Cb 0.16 -0.25 -0.03 0.00 -0.53 0.00 0.00 39.78 39.13 1lfv n ASN 78 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1lfv h ALA 79 N -0.17 0.41 -0.00 5.20 0.00 -1.44 -2.49 119.26 120.77 1lfv h ALA 79 Ca -0.28 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1lfv h ALA 79 Cb 1.35 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1lfv h ALA 79 CO -0.10 0.09 -0.19 1.28 0.00 0.00 0.00 179.25 180.34 1lfv n LEU 80 N -4.64 0.47 -0.24 0.00 4.77 0.94 -4.24 117.00 114.05 1lfv n LEU 80 Ca -0.02 0.05 0.23 0.00 -0.03 0.00 0.00 56.01 56.24 1lfv n LEU 80 Cb 0.20 -0.24 0.42 0.00 -2.33 0.00 0.00 43.42 41.47 1lfv n LEU 80 CO 0.38 0.09 0.78 -1.54 -1.33 0.00 0.00 177.39 175.76 1lfv n SER 81 N -1.11 0.22 0.01 -1.43 3.41 -0.94 -0.58 113.62 113.20 1lfv n SER 81 Ca 0.11 1.26 -0.12 0.00 -0.26 0.00 0.00 58.87 59.86 1lfv n SER 81 Cb 0.31 -0.59 -0.09 0.00 -0.26 0.00 0.00 64.21 63.57 1lfv n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lfv h ALA 82 N 1.51 -0.09 0.00 7.33 0.00 -1.78 -3.11 119.26 123.12 1lfv h ALA 82 Ca 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1lfv h ALA 82 Cb 1.61 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1lfv h ALA 82 CO -0.60 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 179.68 1lfv n LEU 83 N -4.86 0.00 0.07 0.00 4.77 0.25 -1.59 117.00 115.65 1lfv n LEU 83 Ca -0.08 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 55.90 1lfv n LEU 83 Cb 0.29 -0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 1lfv n LEU 83 CO 0.31 -0.20 -0.00 0.28 -1.33 0.00 0.00 177.39 176.45 1lfv h SER 84 N 0.00 0.70 -0.25 -1.43 0.02 -1.37 -2.99 113.55 108.23 1lfv h SER 84 Ca 0.00 -0.86 -0.09 0.00 -0.84 0.00 0.00 61.79 59.99 1lfv h SER 84 Cb 0.02 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.33 1lfv h SER 84 CO 0.00 1.50 -0.21 0.44 -1.14 0.00 0.00 176.83 177.41 1lfv h ASP 85 N 0.01 0.62 -0.59 3.07 3.32 -1.40 -2.52 116.42 118.94 1lfv h ASP 85 Ca -0.17 -0.46 -0.04 0.00 0.02 0.00 0.00 57.03 56.39 1lfv h ASP 85 Cb 1.77 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 41.12 1lfv h ASP 85 CO 0.20 0.95 0.23 0.25 -1.72 0.00 0.00 179.24 179.15 1lfv h LEU 86 N 0.30 0.82 0.01 1.55 7.12 -1.67 0.55 115.31 123.99 1lfv h LEU 86 Ca 0.04 -0.18 -0.26 0.00 0.13 0.00 0.00 57.88 57.62 1lfv h LEU 86 Cb 0.76 -0.21 0.01 0.00 -0.53 0.00 0.00 40.66 40.68 1lfv h LEU 86 CO 0.05 0.77 -1.14 0.45 -0.13 0.00 0.00 178.44 178.45 1lfv h HIS 87 N 0.81 0.58 0.00 1.25 3.86 -1.60 -0.43 115.15 119.62 1lfv h HIS 87 Ca 0.19 -0.38 -0.07 0.00 -1.16 0.00 0.00 60.37 58.96 1lfv h HIS 87 Cb 0.21 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 1lfv h HIS 87 CO 0.01 1.25 -0.54 0.00 0.86 0.00 0.00 177.93 179.51 1lfv h ALA 88 N 0.61 0.08 0.30 2.45 0.00 -1.43 -2.03 119.26 119.25 1lfv h ALA 88 Ca -0.12 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 1lfv h ALA 88 Cb 1.82 0.40 0.00 0.00 0.00 0.00 0.00 17.79 20.01 1lfv h ALA 88 CO 0.19 0.38 -0.15 0.45 0.00 0.00 0.00 179.25 180.13 1lfv h HIS 89 N -1.00 -0.38 0.00 0.00 3.86 -0.08 -3.15 115.15 114.40 1lfv h HIS 89 Ca -0.10 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1lfv h HIS 89 Cb 0.70 0.13 0.00 0.00 1.06 0.00 0.00 27.41 29.30 1lfv h HIS 89 CO -0.01 -0.24 -0.00 -0.22 0.86 0.00 0.00 177.93 178.32 1lfv h LYS 90 N -0.88 -0.00 0.07 2.45 3.64 -1.52 -3.38 116.57 116.95 1lfv h LYS 90 Ca -0.04 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.09 1lfv h LYS 90 Cb 0.31 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1lfv h LYS 90 CO 0.07 0.73 -1.10 -0.07 -2.27 0.00 0.00 179.45 176.81 1lfv h LEU 91 N -0.73 0.51 -1.59 5.20 3.38 -1.23 -3.49 115.31 117.36 1lfv h LEU 91 Ca -0.00 -0.47 -0.28 0.00 0.09 0.00 0.00 57.88 57.22 1lfv h LEU 91 Cb 0.73 -0.16 0.14 0.00 0.09 0.00 0.00 40.66 41.46 1lfv h LEU 91 CO 0.00 1.31 -0.63 0.54 0.09 0.00 0.00 178.44 179.75 1lfv n ARG 92 N -3.65 -5.72 -2.76 1.13 5.12 -0.89 -4.94 116.66 104.94 1lfv n ARG 92 Ca -0.08 0.71 -0.42 0.00 -1.93 0.00 0.00 57.85 56.13 1lfv n ARG 92 Cb 0.93 -5.33 -0.03 0.00 -1.16 0.00 0.00 32.46 26.88 1lfv n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1lfv s VAL 93 N -3.30 4.75 0.20 1.55 1.01 -0.81 -4.99 120.40 118.82 1lfv s VAL 93 Ca 0.07 1.83 -0.32 0.00 0.00 0.00 0.00 61.98 63.56 1lfv s VAL 93 Cb -0.03 -4.23 -0.14 0.00 0.00 0.00 0.00 36.38 31.98 1lfv s VAL 93 CO 0.61 -0.13 1.33 -0.67 0.00 0.00 0.00 175.10 176.24 1lfv n ASP 94 N 6.14 2.22 0.27 3.32 -0.08 -1.26 -4.87 116.55 122.29 1lfv n ASP 94 Ca 0.09 1.14 0.18 0.00 -1.51 0.00 0.00 54.79 54.69 1lfv n ASP 94 Cb 0.47 -1.34 0.93 0.00 2.34 0.00 0.00 41.12 43.52 1lfv n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1lfv h PRO 95 N 4.06 0.00 -0.28 -0.67 0.11 -2.00 -2.58 132.00 130.64 1lfv h PRO 95 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1lfv h PRO 95 Cb 1.30 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.40 1lfv h PRO 95 CO 0.75 0.00 -0.19 -0.24 -0.21 0.00 0.00 178.00 178.11 1lfv h VAL 96 N 0.00 1.25 0.00 3.15 3.04 -2.02 -2.82 116.25 118.85 1lfv h VAL 96 Ca 0.04 -1.15 -0.00 0.00 -1.01 0.00 0.00 66.70 64.58 1lfv h VAL 96 Cb 0.37 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.89 1lfv h VAL 96 CO -0.00 0.37 -0.02 0.78 -1.01 0.00 0.00 177.57 177.69 1lfv h ASN 97 N 0.46 0.00 1.29 3.17 -0.26 -1.83 0.22 115.58 118.63 1lfv h ASN 97 Ca 0.08 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1lfv h ASN 97 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.85 1lfv h ASN 97 CO 0.04 0.02 0.00 -0.26 -1.06 0.00 0.00 177.43 176.17 1lfv h PHE 98 N 0.00 0.00 0.12 1.19 0.04 -1.65 -2.40 116.94 114.24 1lfv h PHE 98 Ca -0.00 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.46 1lfv h PHE 98 Cb 0.22 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.36 1lfv h PHE 98 CO 0.00 0.00 -1.62 0.87 -0.60 0.00 0.00 178.31 176.96 1lfv h LYS 99 N 0.00 0.25 -0.91 1.51 1.57 -1.08 -3.15 116.57 114.75 1lfv h LYS 99 Ca 0.00 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.38 1lfv h LYS 99 Cb 0.64 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.06 1lfv h LYS 99 CO 0.00 1.20 0.60 -0.07 -0.57 0.00 0.00 179.45 180.61 1lfv h LEU 100 N -0.21 1.03 0.00 2.94 3.38 -1.41 -2.53 115.31 118.51 1lfv h LEU 100 Ca -0.35 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1lfv h LEU 100 Cb 1.84 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1lfv h LEU 100 CO 0.05 0.73 0.00 -0.11 0.09 0.00 0.00 178.44 179.21 1lfv n LEU 101 N -4.41 0.43 -0.40 1.67 7.94 -0.91 -2.95 117.00 118.37 1lfv n LEU 101 Ca 0.11 0.62 0.31 0.00 -1.11 0.00 0.00 56.01 55.94 1lfv n LEU 101 Cb 0.04 -0.30 0.48 0.00 0.53 0.00 0.00 43.42 44.16 1lfv n LEU 101 CO 0.36 -0.30 0.86 -1.20 -1.11 0.00 0.00 177.39 176.00 1lfv n SER 102 N -1.41 0.03 0.01 1.96 7.64 -1.19 0.14 113.62 120.80 1lfv n SER 102 Ca 0.00 0.65 -0.12 0.00 1.01 0.00 0.00 58.87 60.40 1lfv n SER 102 Cb 0.00 -0.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 1lfv n SER 102 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1lfv h HIS 103 N 0.00 -0.09 0.00 1.43 -0.00 -1.43 -2.86 115.15 112.20 1lfv h HIS 103 Ca 0.56 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.92 1lfv h HIS 103 Cb 2.16 0.03 -0.00 0.00 -0.00 0.00 0.00 27.41 29.60 1lfv h HIS 103 CO -0.00 0.43 -0.02 0.00 -0.00 0.00 0.00 177.93 178.35 1lfv h LEU 105 N 0.00 0.00 0.00 0.00 5.85 -1.25 -1.79 115.31 118.13 1lfv h LEU 105 Ca -0.00 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 1lfv h LEU 105 Cb 0.04 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 1lfv h LEU 105 CO 0.00 0.07 -1.63 0.18 -0.34 0.00 0.00 178.44 176.72 1lfv n LEU 106 N -3.14 0.43 0.05 2.25 4.77 -0.16 -3.24 117.00 117.95 1lfv n LEU 106 Ca 0.02 0.18 0.13 0.00 -0.03 0.00 0.00 56.01 56.31 1lfv n LEU 106 Cb 0.44 0.06 0.42 0.00 -2.33 0.00 0.00 43.42 42.01 1lfv n LEU 106 CO 0.32 0.03 0.78 0.52 -1.33 0.00 0.00 177.39 177.71 1lfv n VAL 107 N -2.57 0.29 -0.09 4.08 0.31 -0.39 -2.91 118.33 117.06 1lfv n VAL 107 Ca -0.07 -0.16 -0.15 0.00 -0.01 0.00 0.00 64.34 63.95 1lfv n VAL 107 Cb 0.69 -0.39 -0.08 0.00 -0.91 0.00 0.00 33.84 33.15 1lfv n VAL 107 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1lfv h THR 108 N 0.00 0.66 -0.97 2.52 2.02 -1.43 -3.34 112.91 112.37 1lfv h THR 108 Ca 0.00 -1.78 0.11 0.00 0.77 0.00 0.00 66.41 65.51 1lfv h THR 108 Cb 0.63 1.53 -0.08 0.00 -1.74 0.00 0.00 68.15 68.49 1lfv h THR 108 CO 0.00 0.22 0.60 -0.07 0.37 0.00 0.00 175.52 176.64 1lfv h LEU 109 N -1.00 0.88 -1.46 2.58 4.07 -1.65 -1.20 115.31 117.52 1lfv h LEU 109 Ca -0.21 0.05 -0.05 0.00 0.08 0.00 0.00 57.88 57.75 1lfv h LEU 109 Cb 0.99 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.59 1lfv h LEU 109 CO -0.12 0.47 -0.25 0.00 -1.08 0.00 0.00 178.44 177.46 1lfv h ALA 110 N 1.52 1.25 -0.30 1.53 0.00 -1.72 -0.53 119.26 121.01 1lfv h ALA 110 Ca 0.48 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1lfv h ALA 110 Cb 0.46 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1lfv h ALA 110 CO -0.26 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1lfv n ALA 111 N -2.34 2.83 0.00 0.00 0.00 -0.46 -3.88 120.51 116.67 1lfv n ALA 111 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.67 1lfv n ALA 111 Cb 0.35 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.78 1lfv n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfv n HIS 112 N 0.39 0.00 -3.22 0.00 -0.00 -0.90 -4.94 115.22 106.54 1lfv n HIS 112 Ca 0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.60 1lfv n HIS 112 Cb 0.51 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.44 1lfv n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfv n LEU 113 N -0.16 1.48 0.00 2.41 4.77 -0.26 -4.93 117.00 120.31 1lfv n LEU 113 Ca 0.00 -5.01 0.07 0.00 -0.03 0.00 0.00 56.01 51.04 1lfv n LEU 113 Cb 0.00 0.26 0.38 0.00 -2.33 0.00 0.00 43.42 41.73 1lfv n LEU 113 CO 0.00 2.13 0.62 -0.81 -1.33 0.00 0.00 177.39 178.00 1lfv n PRO 114 N 0.93 0.38 -0.09 3.23 -0.04 -1.25 -2.48 135.00 135.68 1lfv n PRO 114 Ca 0.25 0.02 -0.11 0.00 -0.04 0.00 0.00 63.50 63.62 1lfv n PRO 114 Cb 0.52 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1lfv n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1lfv n ALA 115 N -1.04 0.73 0.52 0.55 0.00 -1.26 -4.52 120.51 115.48 1lfv n ALA 115 Ca 0.09 -0.64 0.05 0.00 0.00 0.00 0.00 53.44 52.94 1lfv n ALA 115 Cb 0.05 -0.04 0.18 0.00 0.00 0.00 0.00 19.45 19.64 1lfv n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1lfv n GLU 116 N -4.50 2.29 -1.82 0.00 0.00 -1.21 -4.40 120.64 110.99 1lfv n GLU 116 Ca -0.18 -1.45 -0.34 0.00 0.00 0.00 0.00 57.16 55.18 1lfv n GLU 116 Cb 0.48 -1.51 -0.02 0.00 0.00 0.00 0.00 31.44 30.38 1lfv n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1lfv n PHE 117 N 0.50 2.20 -2.17 -1.84 7.35 -1.03 -4.73 117.46 117.74 1lfv n PHE 117 Ca 0.13 -2.39 -0.34 0.00 -0.76 0.00 0.00 57.45 54.09 1lfv n PHE 117 Cb 0.47 -1.55 0.01 0.00 0.35 0.00 0.00 39.48 38.76 1lfv n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfv s THR 118 N -2.12 3.43 0.55 -2.13 -4.23 -1.26 -4.71 115.64 105.17 1lfv s THR 118 Ca 0.55 0.80 0.43 0.00 -1.18 0.00 0.00 61.69 62.29 1lfv s THR 118 Cb 0.29 -3.30 0.64 0.00 1.34 0.00 0.00 72.50 71.47 1lfv s THR 118 CO -0.17 -0.28 1.69 -0.65 -0.54 0.00 0.00 174.62 174.67 1lfv h PRO 119 N 0.88 0.00 0.07 3.99 0.11 -1.98 0.30 132.00 135.36 1lfv h PRO 119 Ca -0.49 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1lfv h PRO 119 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1lfv h PRO 119 CO 0.57 0.00 -0.03 0.00 -0.21 0.00 0.00 178.00 178.33 1lfv h ALA 120 N 1.21 -0.09 -0.39 -0.75 0.00 -1.96 -2.28 119.26 115.00 1lfv h ALA 120 Ca 0.74 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 55.33 1lfv h ALA 120 Cb 2.99 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 20.80 1lfv h ALA 120 CO -0.01 -0.14 0.07 0.28 0.00 0.00 0.00 179.25 179.45 1lfv h VAL 121 N -0.90 1.19 -0.32 0.00 2.07 -1.27 0.15 116.25 117.16 1lfv h VAL 121 Ca -0.01 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1lfv h VAL 121 Cb 0.60 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.15 1lfv h VAL 121 CO 0.02 0.25 0.11 -0.74 0.02 0.00 0.00 177.57 177.23 1lfv h HIS 122 N 0.57 0.20 -0.64 1.57 6.17 -0.57 0.37 115.15 122.81 1lfv h HIS 122 Ca 0.13 0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.15 1lfv h HIS 122 Cb 0.26 -0.04 -0.03 0.00 2.52 0.00 0.00 27.41 30.12 1lfv h HIS 122 CO 0.01 0.09 0.12 0.00 0.71 0.00 0.00 177.93 178.86 1lfv h ALA 123 N 1.20 0.85 -0.88 5.26 0.00 -0.63 -1.59 119.26 123.48 1lfv h ALA 123 Ca 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1lfv h ALA 123 Cb 0.11 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1lfv h ALA 123 CO -0.15 0.60 0.46 0.77 0.00 0.00 0.00 179.25 180.93 1lfv h SER 124 N 0.97 1.12 -0.27 0.00 0.02 0.19 -1.79 113.55 113.78 1lfv h SER 124 Ca 0.20 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 1lfv h SER 124 Cb 0.42 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1lfv h SER 124 CO 0.01 0.91 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.50 1lfv h LEU 125 N 1.24 0.49 -1.75 5.07 4.07 -0.11 -1.92 115.31 122.40 1lfv h LEU 125 Ca 0.31 -0.34 0.00 0.00 0.08 0.00 0.00 57.88 57.92 1lfv h LEU 125 Cb 0.06 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.66 1lfv h LEU 125 CO -0.05 0.72 0.15 -0.78 -1.08 0.00 0.00 178.44 177.41 1lfv h ASP 126 N 0.26 0.28 0.20 -0.43 1.82 -1.04 -0.72 116.42 116.78 1lfv h ASP 126 Ca 0.07 -0.01 -0.23 0.00 -0.39 0.00 0.00 57.03 56.48 1lfv h ASP 126 Cb 0.49 -0.07 0.01 0.00 0.68 0.00 0.00 39.33 40.44 1lfv h ASP 126 CO 0.02 0.21 -0.90 0.11 -1.61 0.00 0.00 179.24 177.07 1lfv h LYS 127 N 0.32 0.51 -0.39 0.28 1.57 -1.15 -2.32 116.57 115.41 1lfv h LYS 127 Ca 0.09 -0.51 -0.05 0.00 -1.87 0.00 0.00 60.65 58.31 1lfv h LYS 127 Cb -0.02 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1lfv h LYS 127 CO -0.02 1.14 0.05 0.35 -0.57 0.00 0.00 179.45 180.41 1lfv h PHE 128 N 0.31 0.69 0.00 -1.35 3.57 -0.50 -0.97 116.94 118.69 1lfv h PHE 128 Ca -0.08 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.28 1lfv h PHE 128 Cb 1.53 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 40.07 1lfv h PHE 128 CO 0.07 0.69 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.56 1lfv h LEU 129 N 0.49 0.00 -0.61 0.59 3.38 -1.24 -1.75 115.31 116.17 1lfv h LEU 129 Ca 0.12 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 1lfv h LEU 129 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1lfv h LEU 129 CO 0.01 0.21 -0.46 0.00 0.09 0.00 0.00 178.44 178.29 1lfv h ALA 130 N 1.79 0.79 0.02 1.53 0.00 -1.02 -0.17 119.26 122.20 1lfv h ALA 130 Ca -0.00 -0.47 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1lfv h ALA 130 Cb 0.91 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1lfv h ALA 130 CO 0.03 0.66 -0.95 0.77 0.00 0.00 0.00 179.25 179.75 1lfv h SER 131 N 0.45 0.15 -0.00 0.00 0.02 -0.84 -2.43 113.55 110.90 1lfv h SER 131 Ca 0.03 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1lfv h SER 131 Cb 0.97 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1lfv h SER 131 CO 0.09 1.02 -0.00 0.58 -1.14 0.00 0.00 176.83 177.37 1lfv h VAL 132 N 0.05 1.46 -0.79 2.27 2.07 -1.21 -2.60 116.25 117.50 1lfv h VAL 132 Ca -0.04 -1.34 0.13 0.00 0.82 0.00 0.00 66.70 66.27 1lfv h VAL 132 Cb 1.64 2.37 -0.09 0.00 -1.52 0.00 0.00 31.29 33.69 1lfv h VAL 132 CO 0.14 0.35 0.39 0.28 0.02 0.00 0.00 177.57 178.74 1lfv h SER 133 N -0.57 0.46 -0.67 0.57 0.02 -1.07 -1.34 113.55 110.96 1lfv h SER 133 Ca 0.00 0.09 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1lfv h SER 133 Cb 0.57 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1lfv h SER 133 CO 0.00 0.21 0.44 0.74 -1.14 0.00 0.00 176.83 177.08 1lfv h THR 134 N 0.58 1.17 -0.37 -2.27 2.02 -1.42 -2.39 112.91 110.24 1lfv h THR 134 Ca 0.42 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 67.17 1lfv h THR 134 Cb 0.57 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1lfv h THR 134 CO -0.35 0.16 -0.26 0.58 0.37 0.00 0.00 175.52 176.03 1lfv h VAL 135 N 0.90 1.27 0.00 3.16 2.07 -0.87 0.79 116.25 123.57 1lfv h VAL 135 Ca 0.24 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.38 1lfv h VAL 135 Cb -0.10 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1lfv h VAL 135 CO -0.05 0.46 0.00 -0.07 0.02 0.00 0.00 177.57 177.93 1lfv h LEU 136 N 0.66 0.00 0.00 2.57 3.38 -1.18 -3.00 115.31 117.75 1lfv h LEU 136 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1lfv h LEU 136 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1lfv h LEU 136 CO 0.06 0.00 -1.54 0.35 0.09 0.00 0.00 178.44 177.41 1lfv n THR 137 N -2.99 0.12 -0.40 0.22 -2.24 -0.91 -4.36 114.28 103.73 1lfv n THR 137 Ca 0.02 -0.39 0.32 0.00 -2.27 0.00 0.00 64.05 61.73 1lfv n THR 137 Cb 0.39 0.12 0.61 0.00 -2.10 0.00 0.00 70.33 69.36 1lfv n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1lfv h SER 138 N 0.00 0.29 0.01 3.42 4.64 -0.69 0.25 113.55 121.47 1lfv h SER 138 Ca 0.00 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1lfv h SER 138 Cb 0.88 0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1lfv h SER 138 CO 0.00 -0.06 0.00 1.17 -0.87 0.00 0.00 176.83 177.07 1lfv n LYS 139 N -4.59 0.16 -0.09 4.77 3.00 -1.26 -0.58 118.16 119.57 1lfv n LYS 139 Ca 0.32 0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.51 1lfv n LYS 139 Cb 1.23 -1.50 -0.14 0.00 0.00 0.00 0.00 35.03 34.61 1lfv n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lfv n TYR 140 N -1.03 0.25 0.98 5.64 0.53 0.88 -4.92 117.16 119.50 1lfv n TYR 140 Ca 0.04 0.07 0.08 0.00 -1.02 0.00 0.00 57.90 57.07 1lfv n TYR 140 Cb 0.02 -1.04 0.46 0.00 -1.03 0.00 0.00 39.34 37.76 1lfv n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38