#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfl s LEU 2 N 0.00 4.17 0.51 7.52 1.43 -1.26 -5.06 118.68 125.99 1lfl s LEU 2 Ca 0.00 0.99 0.01 0.00 -1.03 0.00 0.00 54.13 54.10 1lfl s LEU 2 Cb 0.00 -3.03 0.02 0.00 0.03 0.00 0.00 46.19 43.20 1lfl s LEU 2 CO 0.00 -0.31 0.73 -0.94 0.23 0.00 0.00 176.35 176.06 1lfl s SER 3 N 1.15 5.53 0.60 2.29 1.04 -1.26 -4.91 113.70 118.13 1lfl s SER 3 Ca 0.33 0.12 0.36 0.00 0.48 0.00 0.00 55.95 57.24 1lfl s SER 3 Cb -0.16 -1.17 1.91 0.00 0.10 0.00 0.00 66.02 66.70 1lfl s SER 3 CO 0.12 -0.94 2.22 -0.65 0.98 0.00 0.00 173.24 174.96 1lfl h PRO 4 N 0.22 0.00 0.15 4.02 0.11 -1.99 -0.21 132.00 134.30 1lfl h PRO 4 Ca -0.44 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.40 1lfl h PRO 4 Cb 1.28 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.42 1lfl h PRO 4 CO 0.54 0.03 -1.15 0.00 -0.21 0.00 0.00 178.00 177.21 1lfl h ALA 5 N 1.97 -0.06 -0.03 -0.75 0.00 -1.99 -2.55 119.26 115.85 1lfl h ALA 5 Ca -0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 54.91 54.15 1lfl h ALA 5 Cb 0.16 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1lfl h ALA 5 CO 0.00 0.58 0.01 -0.44 0.00 0.00 0.00 179.25 179.41 1lfl h ASP 6 N 0.06 0.05 -0.69 0.00 3.32 -1.68 -1.32 116.42 116.17 1lfl h ASP 6 Ca -0.19 -0.19 0.12 0.00 0.02 0.00 0.00 57.03 56.80 1lfl h ASP 6 Cb 1.87 -0.01 -0.09 0.00 0.22 0.00 0.00 39.33 41.32 1lfl h ASP 6 CO 0.22 0.22 0.24 0.11 -1.72 0.00 0.00 179.24 178.31 1lfl h LYS 7 N -0.13 0.38 -0.72 3.56 1.57 -1.16 0.30 116.57 120.38 1lfl h LYS 7 Ca 0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1lfl h LYS 7 Cb 0.19 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 1lfl h LYS 7 CO -0.00 0.25 0.42 1.15 -0.57 0.00 0.00 179.45 180.70 1lfl h THR 8 N 0.39 1.21 -0.48 -0.16 2.02 -1.23 0.13 112.91 114.79 1lfl h THR 8 Ca 0.37 -0.49 -0.10 0.00 0.77 0.00 0.00 66.41 66.96 1lfl h THR 8 Cb 0.53 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1lfl h THR 8 CO -0.39 0.23 -0.09 0.78 0.37 0.00 0.00 175.52 176.42 1lfl h ASN 9 N 0.98 0.86 0.29 4.18 4.21 0.31 -0.69 115.58 125.73 1lfl h ASN 9 Ca 0.26 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.49 1lfl h ASN 9 Cb -0.00 -0.23 0.00 0.00 -1.12 0.00 0.00 38.32 36.97 1lfl h ASN 9 CO -0.05 0.97 -0.14 0.58 -1.29 0.00 0.00 177.43 177.51 1lfl h VAL 10 N 0.79 0.00 -0.97 2.81 2.07 -0.13 -1.68 116.25 119.15 1lfl h VAL 10 Ca 0.13 -0.14 0.25 0.00 0.82 0.00 0.00 66.70 67.76 1lfl h VAL 10 Cb 0.59 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.18 1lfl h VAL 10 CO 0.04 0.00 -0.02 0.29 0.02 0.00 0.00 177.57 177.90 1lfl n LYS 11 N -3.45 -0.08 0.00 1.57 4.01 0.43 0.18 118.16 120.82 1lfl n LYS 11 Ca -0.05 1.46 0.00 0.00 -0.51 0.00 0.00 58.31 59.21 1lfl n LYS 11 Cb 0.15 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 32.37 1lfl n LYS 11 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1lfl n ALA 12 N -3.25 -0.23 -0.17 7.82 0.00 -0.27 -0.82 120.51 123.59 1lfl n ALA 12 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 1lfl n ALA 12 Cb 0.70 0.05 0.05 0.00 0.00 0.00 0.00 19.45 20.26 1lfl n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lfl h ALA 13 N -1.92 0.41 -0.16 0.00 0.00 -0.55 -1.26 119.26 115.78 1lfl h ALA 13 Ca 0.00 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1lfl h ALA 13 Cb 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1lfl h ALA 13 CO 0.00 -0.42 -0.04 2.35 0.00 0.00 0.00 179.25 181.14 1lfl h TRP 14 N 0.04 -0.08 -0.81 0.00 2.91 -0.32 0.14 115.95 117.83 1lfl h TRP 14 Ca 0.26 0.01 0.23 0.00 1.13 0.00 0.00 58.89 60.52 1lfl h TRP 14 Cb 0.40 0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 29.08 1lfl h TRP 14 CO -0.40 -0.07 0.58 0.78 -1.03 0.00 0.00 178.44 178.30 1lfl h GLY 15 N -0.00 0.10 1.95 2.65 0.00 0.13 0.56 103.07 108.46 1lfl h GLY 15 Ca 0.08 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.28 1lfl h GLY 15 CO -0.16 -0.00 -0.48 1.70 0.00 0.00 0.00 176.54 177.60 1lfl h LYS 16 N 0.05 0.05 -0.58 4.80 1.63 0.18 -2.45 116.57 120.25 1lfl h LYS 16 Ca 0.39 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.10 1lfl h LYS 16 Cb 1.49 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.10 1lfl h LYS 16 CO -0.02 0.52 0.10 0.28 -3.45 0.00 0.00 179.45 176.88 1lfl h VAL 17 N 0.04 1.24 0.00 2.00 2.07 0.76 -3.46 116.25 118.91 1lfl h VAL 17 Ca -0.00 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1lfl h VAL 17 Cb 0.87 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1lfl h VAL 17 CO 0.06 0.34 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1lfl n GLY 18 N -0.73 2.83 1.04 2.17 0.00 -0.93 -1.87 105.19 107.71 1lfl n GLY 18 Ca 0.04 0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1lfl n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lfl n ALA 19 N 10.95 2.54 0.06 4.61 0.00 -1.26 -3.66 120.51 133.76 1lfl n ALA 19 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1lfl n ALA 19 Cb 0.00 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1lfl n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 20 N 0.61 0.00 -0.29 0.00 -0.00 -0.78 -4.78 115.22 109.98 1lfl n HIS 20 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1lfl n HIS 20 Cb 0.47 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.49 1lfl n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1lfl n ALA 21 N -0.56 -0.09 0.18 -1.41 0.00 -1.24 -0.28 120.51 117.12 1lfl n ALA 21 Ca 0.00 0.75 -0.15 0.00 0.00 0.00 0.00 53.44 54.05 1lfl n ALA 21 Cb 0.03 -0.34 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1lfl n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1lfl h GLY 22 N 0.00 -0.70 0.83 0.00 0.00 -1.87 0.45 103.07 101.79 1lfl h GLY 22 Ca 0.26 0.37 0.02 0.00 0.00 0.00 0.00 47.33 47.98 1lfl h GLY 22 CO -0.74 -0.27 0.00 -2.09 0.00 0.00 0.00 176.54 173.44 1lfl h GLU 23 N -0.63 0.04 -0.19 4.80 4.81 -0.98 -2.44 114.58 119.99 1lfl h GLU 23 Ca -0.01 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1lfl h GLU 23 Cb 0.59 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 1lfl h GLU 23 CO -0.09 0.03 0.04 1.88 -0.73 0.00 0.00 179.01 180.14 1lfl h TYR 24 N 0.04 0.32 -0.81 0.92 0.99 -0.56 -1.64 116.97 116.24 1lfl h TYR 24 Ca 0.05 -0.04 0.07 0.00 2.00 0.00 0.00 58.73 60.81 1lfl h TYR 24 Cb 0.06 -0.09 -0.06 0.00 1.00 0.00 0.00 36.73 37.64 1lfl h TYR 24 CO -0.13 0.44 0.48 0.78 -0.00 0.00 0.00 178.16 179.73 1lfl h GLY 25 N 0.12 1.22 1.21 3.88 0.00 -0.06 -0.46 103.07 108.98 1lfl h GLY 25 Ca 0.06 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 1lfl h GLY 25 CO 0.00 0.21 -0.24 0.00 0.00 0.00 0.00 176.54 176.52 1lfl h ALA 26 N 1.40 0.75 -0.44 3.60 0.00 -1.36 -2.44 119.26 120.78 1lfl h ALA 26 Ca 0.36 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1lfl h ALA 26 Cb 0.22 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1lfl h ALA 26 CO -0.19 0.66 0.24 1.49 0.00 0.00 0.00 179.25 181.45 1lfl h GLU 27 N 0.78 0.61 -0.96 0.00 4.81 -0.69 -1.97 114.58 117.16 1lfl h GLU 27 Ca 0.10 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.34 1lfl h GLU 27 Cb 0.79 -0.12 -0.07 0.00 0.63 0.00 0.00 28.75 29.98 1lfl h GLU 27 CO 0.07 0.49 0.60 0.00 -0.73 0.00 0.00 179.01 179.44 1lfl h ALA 28 N 1.09 1.37 -0.53 2.92 0.00 -0.90 -0.33 119.26 122.88 1lfl h ALA 28 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1lfl h ALA 28 Cb 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1lfl h ALA 28 CO -0.02 0.30 0.11 -0.07 0.00 0.00 0.00 179.25 179.57 1lfl h LEU 29 N 1.04 0.83 -0.50 0.00 3.38 -1.10 -1.91 115.31 117.05 1lfl h LEU 29 Ca 0.44 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1lfl h LEU 29 Cb 0.30 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1lfl h LEU 29 CO -0.21 0.86 0.24 -0.08 0.09 0.00 0.00 178.44 179.34 1lfl h GLU 30 N 0.76 0.71 -0.62 1.13 4.81 -0.49 0.07 114.58 120.95 1lfl h GLU 30 Ca 0.16 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1lfl h GLU 30 Cb 0.37 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.59 1lfl h GLU 30 CO 0.01 0.59 0.36 0.00 -0.73 0.00 0.00 179.01 179.23 1lfl h ARG 31 N 0.66 0.85 0.19 1.92 3.08 -0.99 -1.58 114.38 118.50 1lfl h ARG 31 Ca 0.17 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1lfl h ARG 31 Cb 0.11 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1lfl h ARG 31 CO -0.02 0.61 -0.09 1.98 -1.07 0.00 0.00 179.97 181.38 1lfl h MET 32 N 0.86 -0.24 -0.91 0.04 4.05 -0.68 0.10 114.93 118.14 1lfl h MET 32 Ca 0.22 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.77 1lfl h MET 32 Cb -0.00 0.06 -0.08 0.00 -0.80 0.00 0.00 31.60 30.77 1lfl h MET 32 CO -0.04 0.08 0.55 0.74 0.23 0.00 0.00 176.91 178.47 1lfl h PHE 33 N -0.59 1.00 0.03 1.39 0.04 -0.74 0.51 116.94 118.57 1lfl h PHE 33 Ca -0.03 0.03 -0.25 0.00 2.80 0.00 0.00 57.97 60.53 1lfl h PHE 33 Cb 0.44 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.29 1lfl h PHE 33 CO 0.03 0.40 -1.02 -0.07 -0.60 0.00 0.00 178.31 177.05 1lfl h LEU 34 N 0.89 0.63 0.00 1.54 3.38 -1.27 -3.28 115.31 117.19 1lfl h LEU 34 Ca 0.45 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1lfl h LEU 34 Cb 0.43 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1lfl h LEU 34 CO -0.26 1.34 -0.85 0.28 0.09 0.00 0.00 178.44 179.03 1lfl h SER 35 N 0.25 0.00 -2.62 -0.43 0.02 -0.57 -3.40 113.55 106.80 1lfl h SER 35 Ca -0.11 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.25 1lfl h SER 35 Cb 1.68 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 63.82 1lfl h SER 35 CO 0.18 0.08 -0.85 -0.36 -1.14 0.00 0.00 176.83 174.74 1lfl s PHE 36 N -3.28 1.76 0.28 3.45 0.40 0.18 -5.00 117.98 115.77 1lfl s PHE 36 Ca 0.01 -2.57 0.00 0.00 -0.60 0.00 0.00 56.93 53.77 1lfl s PHE 36 Cb 0.09 -1.43 0.65 0.00 0.51 0.00 0.00 43.02 42.84 1lfl s PHE 36 CO 0.77 -0.75 1.64 -1.35 0.70 0.00 0.00 175.22 176.22 1lfl h PRO 37 N 5.69 0.16 -0.64 0.24 0.11 -1.76 -1.31 132.00 134.49 1lfl h PRO 37 Ca 0.21 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 66.50 1lfl h PRO 37 Cb 0.87 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 31.92 1lfl h PRO 37 CO 0.46 0.11 0.54 1.79 -0.21 0.00 0.00 178.00 180.69 1lfl h THR 38 N 0.17 0.48 0.00 -1.15 1.35 -1.93 0.39 112.91 112.22 1lfl h THR 38 Ca 0.53 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.39 1lfl h THR 38 Cb 1.04 0.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.06 1lfl h THR 38 CO -0.68 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.30 1lfl h THR 39 N 0.00 0.00 -0.05 6.82 1.35 -1.57 -2.78 112.91 116.68 1lfl h THR 39 Ca 0.31 -0.32 -0.05 0.00 -0.55 0.00 0.00 66.41 65.79 1lfl h THR 39 Cb 1.39 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 69.06 1lfl h THR 39 CO -0.00 0.00 -0.22 0.11 -0.25 0.00 0.00 175.52 175.16 1lfl h LYS 40 N 0.00 0.08 0.00 4.72 1.57 -1.09 -2.87 116.57 118.98 1lfl h LYS 40 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1lfl h LYS 40 Cb 0.33 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1lfl h LYS 40 CO 0.00 0.30 0.41 1.79 -0.57 0.00 0.00 179.45 181.37 1lfl h THR 41 N 0.07 0.00 0.00 -0.16 1.35 -1.67 0.17 112.91 112.67 1lfl h THR 41 Ca 0.01 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.86 1lfl h THR 41 Cb 0.43 0.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.19 1lfl h THR 41 CO 0.03 0.00 -1.26 -1.22 -0.25 0.00 0.00 175.52 172.82 1lfl n TYR 42 N -2.28 0.76 -2.85 4.73 4.01 -1.08 -4.36 117.16 116.08 1lfl n TYR 42 Ca -0.01 0.22 -0.27 0.00 -0.16 0.00 0.00 57.90 57.69 1lfl n TYR 42 Cb 0.43 -0.87 -0.03 0.00 -0.31 0.00 0.00 39.34 38.55 1lfl n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1lfl n PHE 43 N -2.60 3.88 0.14 -0.72 3.01 0.59 -4.81 117.46 116.94 1lfl n PHE 43 Ca -0.02 -3.82 -0.01 0.00 1.01 0.00 0.00 57.45 54.61 1lfl n PHE 43 Cb 0.58 -0.41 0.18 0.00 -0.01 0.00 0.00 39.48 39.82 1lfl n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lfl h PRO 44 N 2.90 0.00 -0.70 -1.08 0.13 -1.75 -2.98 132.00 128.52 1lfl h PRO 44 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1lfl h PRO 44 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1lfl h PRO 44 CO 0.82 0.60 0.00 -2.39 -0.23 0.00 0.00 178.00 176.80 1lfl n HIS 45 N -3.75 0.00 -4.64 1.56 1.44 -1.26 -4.85 115.22 103.72 1lfl n HIS 45 Ca -0.01 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.41 1lfl n HIS 45 Cb 0.62 -0.07 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 1lfl n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1lfl s PHE 46 N -1.30 2.30 -0.80 -1.40 2.99 -1.13 -5.06 117.98 113.58 1lfl s PHE 46 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 56.93 56.17 1lfl s PHE 46 Cb 0.00 -1.69 0.25 0.00 0.00 0.00 0.00 43.02 41.58 1lfl s PHE 46 CO 0.00 0.35 0.88 -3.47 -0.00 0.00 0.00 175.22 172.98 1lfl n ASP 47 N -1.03 4.34 0.00 1.36 2.03 -1.26 -4.91 116.55 117.08 1lfl n ASP 47 Ca -0.08 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 51.89 1lfl n ASP 47 Cb 0.67 -0.90 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 1lfl n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1lfl n LEU 48 N 1.43 0.00 -4.38 -2.67 4.77 -1.26 -4.59 117.00 110.30 1lfl n LEU 48 Ca 0.26 0.14 -0.34 0.00 -0.03 0.00 0.00 56.01 56.05 1lfl n LEU 48 Cb 0.38 -0.14 0.11 0.00 -2.33 0.00 0.00 43.42 41.43 1lfl n LEU 48 CO 0.45 -0.14 -0.19 -1.54 -1.33 0.00 0.00 177.39 174.63 1lfl n SER 49 N -1.09 -2.37 -4.75 -1.43 3.41 -1.26 -4.86 113.62 101.28 1lfl n SER 49 Ca 0.00 0.34 -0.37 0.00 -0.26 0.00 0.00 58.87 58.58 1lfl n SER 49 Cb 0.03 -1.16 0.05 0.00 -0.26 0.00 0.00 64.21 62.86 1lfl n SER 49 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1lfl s HIS 50 N -2.31 2.28 0.00 7.33 2.46 -1.26 -2.35 115.29 121.44 1lfl s HIS 50 Ca 0.56 1.46 0.00 0.00 0.47 0.00 0.00 55.06 57.55 1lfl s HIS 50 Cb -0.22 -3.66 0.00 0.00 -0.13 0.00 0.00 32.58 28.57 1lfl s HIS 50 CO 0.68 -2.65 0.00 0.41 -2.47 0.00 0.00 174.74 170.71 1lfl n GLY 51 N 0.71 2.12 1.19 1.59 0.00 -1.26 -4.92 105.19 104.62 1lfl n GLY 51 Ca 0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.94 1lfl n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1lfl n SER 52 N 0.30 0.16 0.14 1.61 2.88 -0.99 -4.70 113.62 113.03 1lfl n SER 52 Ca 0.00 0.39 0.02 0.00 -1.33 0.00 0.00 58.87 57.94 1lfl n SER 52 Cb 0.00 -0.30 0.35 0.00 -0.75 0.00 0.00 64.21 63.51 1lfl n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1lfl h ALA 53 N 1.26 1.38 0.00 -1.46 0.00 -1.90 -1.21 119.26 117.33 1lfl h ALA 53 Ca -0.16 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1lfl h ALA 53 Cb 0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lfl h ALA 53 CO 0.26 0.44 -0.30 1.96 0.00 0.00 0.00 179.25 181.61 1lfl h GLN 54 N 0.12 0.00 0.19 0.00 4.20 -1.88 -0.41 115.11 117.34 1lfl h GLN 54 Ca 0.02 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.41 1lfl h GLN 54 Cb 0.57 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.37 1lfl h GLN 54 CO 0.04 0.30 -1.46 0.28 -0.67 0.00 0.00 178.83 177.32 1lfl h VAL 55 N 0.00 1.28 -0.28 -0.54 2.07 -1.66 -2.29 116.25 114.84 1lfl h VAL 55 Ca -0.00 -2.79 -0.04 0.00 0.82 0.00 0.00 66.70 64.69 1lfl h VAL 55 Cb 0.70 2.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1lfl h VAL 55 CO 0.04 0.84 0.03 0.11 0.02 0.00 0.00 177.57 178.61 1lfl h LYS 56 N 0.11 0.47 0.81 1.57 1.57 -0.98 0.74 116.57 120.86 1lfl h LYS 56 Ca -0.23 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.37 1lfl h LYS 56 Cb 2.09 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 34.36 1lfl h LYS 56 CO 0.23 0.60 -0.39 0.78 -0.57 0.00 0.00 179.45 180.10 1lfl h GLY 57 N 0.27 -1.13 0.59 3.86 0.00 -1.18 -1.70 103.07 103.78 1lfl h GLY 57 Ca 0.08 0.42 0.07 0.00 0.00 0.00 0.00 47.33 47.90 1lfl h GLY 57 CO 0.01 -0.41 0.32 0.84 0.00 0.00 0.00 176.54 177.29 1lfl h HIS 58 N -1.18 0.57 -0.91 5.60 -0.00 -1.38 0.82 115.15 118.67 1lfl h HIS 58 Ca -0.11 0.03 0.14 0.00 -0.00 0.00 0.00 60.37 60.43 1lfl h HIS 58 Cb 0.84 -0.16 -0.09 0.00 -0.00 0.00 0.00 27.41 28.00 1lfl h HIS 58 CO -0.01 0.24 0.52 0.78 -0.00 0.00 0.00 177.93 179.47 1lfl h GLY 59 N 0.58 1.51 1.44 5.26 0.00 0.58 0.32 103.07 112.76 1lfl h GLY 59 Ca 0.30 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 47.22 1lfl h GLY 59 CO -0.22 0.03 -0.09 1.70 0.00 0.00 0.00 176.54 177.96 1lfl h LYS 60 N 0.77 0.67 -0.14 4.80 3.64 0.08 0.16 116.57 126.56 1lfl h LYS 60 Ca 0.48 -0.20 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1lfl h LYS 60 Cb 0.62 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 1lfl h LYS 60 CO -0.33 0.75 -0.51 0.87 -2.27 0.00 0.00 179.45 177.96 1lfl h LYS 61 N 0.62 0.38 -0.29 1.90 1.57 0.18 0.02 116.57 120.94 1lfl h LYS 61 Ca 0.11 -0.22 -0.12 0.00 -1.87 0.00 0.00 60.65 58.55 1lfl h LYS 61 Cb 0.52 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1lfl h LYS 61 CO 0.03 0.80 -0.32 0.28 -0.57 0.00 0.00 179.45 179.68 1lfl h VAL 62 N 0.30 1.28 0.86 0.50 2.07 -0.63 -2.31 116.25 118.32 1lfl h VAL 62 Ca 0.01 -1.43 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 1lfl h VAL 62 Cb 1.00 1.40 0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1lfl h VAL 62 CO 0.09 0.46 -0.41 0.00 0.02 0.00 0.00 177.57 177.73 1lfl h ALA 63 N 1.13 -1.15 -0.52 1.67 0.00 -0.11 -2.77 119.26 117.52 1lfl h ALA 63 Ca 0.06 -0.25 0.09 0.00 0.00 0.00 0.00 54.91 54.80 1lfl h ALA 63 Cb 0.80 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 18.96 1lfl h ALA 63 CO 0.07 -1.07 0.12 -0.44 0.00 0.00 0.00 179.25 177.93 1lfl h ASP 64 N -1.29 0.04 -1.00 0.00 3.32 -1.04 -0.35 116.42 116.10 1lfl h ASP 64 Ca -0.12 0.09 0.21 0.00 0.02 0.00 0.00 57.03 57.23 1lfl h ASP 64 Cb 0.88 0.11 -0.11 0.00 0.22 0.00 0.00 39.33 40.43 1lfl h ASP 64 CO 0.19 0.05 0.61 0.00 -1.72 0.00 0.00 179.24 178.37 1lfl h ALA 65 N 1.39 1.77 -0.02 3.45 0.00 -1.42 0.34 119.26 124.78 1lfl h ALA 65 Ca 0.26 0.09 -0.12 0.00 0.00 0.00 0.00 54.91 55.14 1lfl h ALA 65 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1lfl h ALA 65 CO -0.32 -0.17 -0.56 -0.07 0.00 0.00 0.00 179.25 178.13 1lfl h LEU 66 N 0.67 0.07 -0.06 0.00 3.38 -0.78 -0.81 115.31 117.78 1lfl h LEU 66 Ca 0.59 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 1lfl h LEU 66 Cb 1.05 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1lfl h LEU 66 CO -0.39 0.62 -0.02 0.74 0.09 0.00 0.00 178.44 179.47 1lfl h THR 67 N 0.05 1.30 -0.61 0.22 2.02 0.17 0.96 112.91 117.02 1lfl h THR 67 Ca -0.00 -0.96 0.04 0.00 0.77 0.00 0.00 66.41 66.26 1lfl h THR 67 Cb 1.00 1.83 -0.04 0.00 -1.74 0.00 0.00 68.15 69.20 1lfl h THR 67 CO 0.08 0.26 0.36 -1.13 0.37 0.00 0.00 175.52 175.46 1lfl h ASN 68 N -0.24 0.56 -0.86 4.18 -1.24 -0.67 0.92 115.58 118.23 1lfl h ASN 68 Ca 0.01 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.02 1lfl h ASN 68 Cb 0.43 -0.10 -0.04 0.00 0.73 0.00 0.00 38.32 39.34 1lfl h ASN 68 CO 0.01 0.38 0.48 0.00 -1.29 0.00 0.00 177.43 177.00 1lfl h ALA 69 N 1.29 1.10 -0.17 1.57 0.00 -0.98 -1.58 119.26 120.49 1lfl h ALA 69 Ca 0.26 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 1lfl h ALA 69 Cb 0.09 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1lfl h ALA 69 CO -0.14 0.60 -0.35 0.28 0.00 0.00 0.00 179.25 179.65 1lfl h VAL 70 N 1.20 1.29 0.00 0.00 2.07 -0.07 -2.27 116.25 118.46 1lfl h VAL 70 Ca 0.30 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1lfl h VAL 70 Cb 0.02 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1lfl h VAL 70 CO -0.05 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.97 1lfl n ALA 71 N -2.48 2.11 -2.65 1.67 0.00 0.25 -3.28 120.51 116.14 1lfl n ALA 71 Ca -0.01 -0.09 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 1lfl n ALA 71 Cb 0.45 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.55 1lfl n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 72 N -1.43 1.51 0.38 0.00 8.25 -0.68 -4.88 115.22 118.38 1lfl n HIS 72 Ca 0.08 -2.71 0.05 0.00 -0.26 0.00 0.00 57.72 54.88 1lfl n HIS 72 Cb 0.24 -0.32 0.23 0.00 1.12 0.00 0.00 29.99 31.26 1lfl n HIS 72 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1lfl n VAL 73 N -0.22 1.17 0.30 1.59 3.14 -0.90 -1.67 118.33 121.73 1lfl n VAL 73 Ca 0.14 0.29 0.11 0.00 -2.96 0.00 0.00 64.34 61.92 1lfl n VAL 73 Cb 0.80 -1.12 -0.07 0.00 -1.06 0.00 0.00 33.84 32.39 1lfl n VAL 73 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1lfl n ASP 74 N -1.45 0.47 -3.08 6.55 8.00 -1.26 -4.55 116.55 121.23 1lfl n ASP 74 Ca 0.03 -0.09 -0.16 0.00 0.71 0.00 0.00 54.79 55.28 1lfl n ASP 74 Cb 0.11 1.19 -0.01 0.00 -0.02 0.00 0.00 41.12 42.39 1lfl n ASP 74 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1lfl n ASP 75 N -2.18 0.61 -0.09 -2.24 10.43 -0.67 -4.98 116.55 117.44 1lfl n ASP 75 Ca -0.01 -3.02 -0.11 0.00 2.57 0.00 0.00 54.79 54.22 1lfl n ASP 75 Cb 0.50 -0.38 0.02 0.00 1.84 0.00 0.00 41.12 43.10 1lfl n ASP 75 CO 0.00 0.00 0.00 0.24 -1.07 0.00 0.00 177.20 176.37 1lfl h MET 76 N 2.99 0.83 -0.79 -1.24 2.86 -1.72 -1.91 114.93 115.95 1lfl h MET 76 Ca 0.05 -0.42 0.14 0.00 -2.06 0.00 0.00 59.70 57.41 1lfl h MET 76 Cb 1.01 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.63 1lfl h MET 76 CO 0.46 1.06 0.52 -1.35 1.06 0.00 0.00 176.91 178.66 1lfl h PRO 77 N 0.68 0.48 0.05 -0.22 0.11 -1.94 -0.14 132.00 131.03 1lfl h PRO 77 Ca 0.06 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 1lfl h PRO 77 Cb 0.94 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1lfl h PRO 77 CO 0.09 0.32 -0.03 -0.91 -0.21 0.00 0.00 178.00 177.26 1lfl h ASN 78 N 0.49 -0.06 -1.03 -2.05 2.35 -1.94 -1.37 115.58 111.97 1lfl h ASN 78 Ca 0.39 -0.41 0.26 0.00 -0.55 0.00 0.00 56.30 55.99 1lfl h ASN 78 Cb 0.80 0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.09 1lfl h ASN 78 CO -0.14 0.61 0.66 0.00 -1.65 0.00 0.00 177.43 176.91 1lfl h ALA 79 N -0.52 2.19 -0.11 -0.83 0.00 -1.03 -1.13 119.26 117.82 1lfl h ALA 79 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1lfl h ALA 79 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1lfl h ALA 79 CO 0.01 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 179.95 1lfl n LEU 80 N -4.64 2.67 -0.33 0.00 4.77 -0.09 -4.60 117.00 114.78 1lfl n LEU 80 Ca 0.25 -1.17 0.25 0.00 -0.03 0.00 0.00 56.01 55.31 1lfl n LEU 80 Cb 0.85 -0.06 0.49 0.00 -2.33 0.00 0.00 43.42 42.36 1lfl n LEU 80 CO 0.25 0.51 1.06 0.77 -1.33 0.00 0.00 177.39 178.65 1lfl h SER 81 N 3.49 0.34 0.14 -1.43 4.64 -0.01 -0.76 113.55 119.97 1lfl h SER 81 Ca 0.00 0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.54 1lfl h SER 81 Cb 0.77 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1lfl h SER 81 CO 0.00 -0.26 -0.15 0.00 -0.87 0.00 0.00 176.83 175.56 1lfl h ALA 82 N 1.90 -0.86 -0.42 5.18 0.00 -1.81 -2.47 119.26 120.78 1lfl h ALA 82 Ca 0.75 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 55.73 1lfl h ALA 82 Cb 1.79 0.40 -0.02 0.00 0.00 0.00 0.00 17.79 19.97 1lfl h ALA 82 CO -0.69 -0.87 0.42 -0.07 0.00 0.00 0.00 179.25 178.04 1lfl h LEU 83 N -0.29 0.00 -0.10 0.00 3.38 -1.53 -0.23 115.31 116.54 1lfl h LEU 83 Ca -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1lfl h LEU 83 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1lfl h LEU 83 CO -0.02 0.00 0.02 -1.28 0.09 0.00 0.00 178.44 177.25 1lfl h SER 84 N 0.00 0.15 -0.56 -0.43 0.87 -0.81 -1.60 113.55 111.17 1lfl h SER 84 Ca 0.20 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.49 1lfl h SER 84 Cb 1.03 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1lfl h SER 84 CO -0.00 0.34 0.23 0.44 -0.53 0.00 0.00 176.83 177.32 1lfl h ASP 85 N -0.06 0.76 0.58 6.23 3.45 -0.63 -1.32 116.42 125.44 1lfl h ASP 85 Ca 0.03 -0.16 -0.03 0.00 0.43 0.00 0.00 57.03 57.30 1lfl h ASP 85 Cb 0.26 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 38.83 1lfl h ASP 85 CO 0.00 0.71 -0.28 0.25 -1.57 0.00 0.00 179.24 178.36 1lfl h LEU 86 N 0.76 -0.65 -1.41 1.55 5.85 -1.40 0.61 115.31 120.61 1lfl h LEU 86 Ca 0.19 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 1lfl h LEU 86 Cb 0.18 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1lfl h LEU 86 CO -0.02 -0.45 -0.01 0.45 -0.34 0.00 0.00 178.44 178.07 1lfl h HIS 87 N -0.80 0.37 0.00 1.25 3.86 -1.28 0.21 115.15 118.76 1lfl h HIS 87 Ca -0.08 -0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.03 1lfl h HIS 87 Cb 0.61 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 1lfl h HIS 87 CO -0.03 0.39 -0.45 0.00 0.86 0.00 0.00 177.93 178.71 1lfl h ALA 88 N 1.64 0.08 0.00 2.45 0.00 -1.05 0.75 119.26 123.13 1lfl h ALA 88 Ca 0.08 -0.63 -0.11 0.00 0.00 0.00 0.00 54.91 54.25 1lfl h ALA 88 Cb 0.26 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1lfl h ALA 88 CO 0.01 0.28 -0.98 0.45 0.00 0.00 0.00 179.25 179.01 1lfl h HIS 89 N -1.00 0.00 0.00 0.00 3.86 0.13 -3.35 115.15 114.80 1lfl h HIS 89 Ca -0.11 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.07 1lfl h HIS 89 Cb 0.85 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 1lfl h HIS 89 CO 0.11 0.43 -0.85 1.17 0.86 0.00 0.00 177.93 179.65 1lfl n LYS 90 N -2.98 0.37 -0.02 2.45 3.00 -0.18 -4.81 118.16 116.00 1lfl n LYS 90 Ca -0.04 0.15 -0.17 0.00 -0.00 0.00 0.00 58.31 58.25 1lfl n LYS 90 Cb 0.74 -1.14 -0.09 0.00 0.00 0.00 0.00 35.03 34.54 1lfl n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1lfl h LEU 91 N -0.69 0.66 -1.28 3.14 3.38 -0.74 -3.48 115.31 116.30 1lfl h LEU 91 Ca -0.06 -0.67 -0.37 0.00 0.09 0.00 0.00 57.88 56.87 1lfl h LEU 91 Cb 0.78 -0.20 0.14 0.00 0.09 0.00 0.00 40.66 41.47 1lfl h LEU 91 CO -0.03 1.23 -0.73 0.54 0.09 0.00 0.00 178.44 179.53 1lfl n ARG 92 N -4.17 -7.08 -2.28 1.13 1.74 0.26 -4.93 116.66 101.33 1lfl n ARG 92 Ca -0.09 0.82 -0.42 0.00 -0.77 0.00 0.00 57.85 57.39 1lfl n ARG 92 Cb 0.65 -5.82 -0.03 0.00 -1.02 0.00 0.00 32.46 26.25 1lfl n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1lfl s VAL 93 N -3.36 3.92 0.08 1.55 1.01 -1.18 -4.94 120.40 117.48 1lfl s VAL 93 Ca 0.29 1.24 -0.33 0.00 0.00 0.00 0.00 61.98 63.17 1lfl s VAL 93 Cb -0.13 -3.80 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 1lfl s VAL 93 CO 0.74 -0.04 1.75 -0.67 0.00 0.00 0.00 175.10 176.88 1lfl n ASP 94 N 5.78 3.50 -0.38 3.32 2.03 -1.26 -4.84 116.55 124.70 1lfl n ASP 94 Ca 0.13 1.02 0.35 0.00 0.52 0.00 0.00 54.79 56.82 1lfl n ASP 94 Cb 0.44 -1.45 0.63 0.00 -0.72 0.00 0.00 41.12 40.02 1lfl n ASP 94 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1lfl n PRO 95 N 5.07 -0.05 -0.10 -0.67 -0.02 -1.26 -1.62 135.00 136.34 1lfl n PRO 95 Ca 0.19 1.32 0.17 0.00 -2.02 0.00 0.00 63.50 63.16 1lfl n PRO 95 Cb 0.32 -2.46 0.57 0.00 -0.02 0.00 0.00 33.50 31.91 1lfl n PRO 95 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1lfl h VAL 96 N 0.00 0.77 0.00 -1.45 3.04 -2.04 -2.30 116.25 114.28 1lfl h VAL 96 Ca 0.86 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 66.46 1lfl h VAL 96 Cb 2.49 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1lfl h VAL 96 CO -0.63 0.05 0.00 0.78 -1.01 0.00 0.00 177.57 176.75 1lfl h ASN 97 N 0.26 0.00 0.01 3.17 2.35 -1.67 -2.92 115.58 116.78 1lfl h ASN 97 Ca 0.33 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.91 1lfl h ASN 97 Cb 0.91 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1lfl h ASN 97 CO -0.07 0.00 -0.57 -0.26 -1.65 0.00 0.00 177.43 174.88 1lfl h PHE 98 N 0.00 0.73 -0.13 1.19 0.04 -1.62 -1.71 116.94 115.45 1lfl h PHE 98 Ca 0.00 -0.27 -0.11 0.00 2.80 0.00 0.00 57.97 60.40 1lfl h PHE 98 Cb 0.34 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1lfl h PHE 98 CO 0.00 1.01 -0.40 1.57 -0.60 0.00 0.00 178.31 179.90 1lfl h LYS 99 N 0.44 0.28 -0.07 1.51 2.10 -1.68 -0.94 116.57 118.22 1lfl h LYS 99 Ca 0.00 -0.13 -0.02 0.00 -2.00 0.00 0.00 60.65 58.50 1lfl h LYS 99 Cb 1.12 -0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.45 1lfl h LYS 99 CO 0.11 0.64 -0.03 -0.07 -2.00 0.00 0.00 179.45 178.09 1lfl h LEU 100 N 0.24 0.15 -1.04 7.07 3.38 -1.54 -1.96 115.31 121.62 1lfl h LEU 100 Ca 0.02 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1lfl h LEU 100 Cb 0.81 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1lfl h LEU 100 CO 0.06 0.53 0.18 0.25 0.09 0.00 0.00 178.44 179.56 1lfl h LEU 101 N -0.23 0.81 -0.43 1.67 5.85 -1.19 -2.72 115.31 119.07 1lfl h LEU 101 Ca 0.02 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1lfl h LEU 101 Cb 0.47 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 1lfl h LEU 101 CO 0.01 0.76 0.26 0.28 -0.34 0.00 0.00 178.44 179.41 1lfl h SER 102 N 0.85 0.43 -0.94 1.25 0.02 -1.12 -2.19 113.55 111.85 1lfl h SER 102 Ca 0.19 -0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.19 1lfl h SER 102 Cb 0.24 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.63 1lfl h SER 102 CO -0.01 0.31 0.61 -0.74 -1.14 0.00 0.00 176.83 175.86 1lfl h HIS 103 N 0.52 1.12 0.00 3.45 -0.00 -1.04 -1.85 115.15 117.35 1lfl h HIS 103 Ca 0.17 0.03 -0.12 0.00 -0.00 0.00 0.00 60.37 60.44 1lfl h HIS 103 Cb -0.01 -0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.01 1lfl h HIS 103 CO -0.06 0.62 -0.58 0.00 -0.00 0.00 0.00 177.93 177.90 1lfl h LEU 105 N 0.00 0.40 -0.51 0.00 4.07 -0.74 -0.20 115.31 118.32 1lfl h LEU 105 Ca -0.01 -0.21 0.04 0.00 0.08 0.00 0.00 57.88 57.78 1lfl h LEU 105 Cb 1.05 -0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.64 1lfl h LEU 105 CO 0.08 0.51 0.26 -0.07 -1.08 0.00 0.00 178.44 178.14 1lfl h LEU 106 N 0.27 0.38 -0.52 1.67 4.07 -1.14 0.35 115.31 120.40 1lfl h LEU 106 Ca 0.09 0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.91 1lfl h LEU 106 Cb 0.25 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.93 1lfl h LEU 106 CO -0.00 0.26 -0.72 -0.37 -1.08 0.00 0.00 178.44 176.53 1lfl h VAL 107 N 0.51 1.46 -0.00 1.22 -1.51 -1.32 0.17 116.25 116.79 1lfl h VAL 107 Ca 0.22 -2.33 -0.00 0.00 -1.23 0.00 0.00 66.70 63.37 1lfl h VAL 107 Cb 0.13 2.25 -0.00 0.00 -2.13 0.00 0.00 31.29 31.53 1lfl h VAL 107 CO -0.15 0.68 0.00 0.74 -1.23 0.00 0.00 177.57 177.60 1lfl h THR 108 N 0.09 1.06 0.18 7.19 2.02 -0.38 0.13 112.91 123.20 1lfl h THR 108 Ca -0.02 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1lfl h THR 108 Cb 1.28 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1lfl h THR 108 CO 0.11 0.04 -0.08 -0.07 0.37 0.00 0.00 175.52 175.88 1lfl h LEU 109 N -0.07 -0.20 -2.02 2.58 4.07 -0.23 -2.44 115.31 117.01 1lfl h LEU 109 Ca 0.00 -0.06 0.14 0.00 0.08 0.00 0.00 57.88 58.04 1lfl h LEU 109 Cb 0.07 0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.84 1lfl h LEU 109 CO -0.00 -0.07 0.38 0.00 -1.08 0.00 0.00 178.44 177.67 1lfl h ALA 110 N 0.49 2.38 0.00 1.53 0.00 -0.46 -0.09 119.26 123.11 1lfl h ALA 110 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1lfl h ALA 110 Cb 0.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1lfl h ALA 110 CO 0.04 -0.63 -0.29 0.00 0.00 0.00 0.00 179.25 178.37 1lfl n ALA 111 N -2.57 2.75 0.11 0.00 0.00 0.42 -4.08 120.51 117.15 1lfl n ALA 111 Ca 0.09 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.39 1lfl n ALA 111 Cb 0.59 -1.31 -0.06 0.00 0.00 0.00 0.00 19.45 18.67 1lfl n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1lfl n HIS 112 N -1.87 0.00 -3.22 0.00 -0.00 -0.18 -4.78 115.22 105.18 1lfl n HIS 112 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.50 1lfl n HIS 112 Cb 0.39 -0.15 -0.06 0.00 -0.00 0.00 0.00 29.99 30.17 1lfl n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1lfl n LEU 113 N -1.64 3.98 -0.10 2.41 4.77 -0.40 -4.95 117.00 121.06 1lfl n LEU 113 Ca -0.01 -5.53 -0.09 0.00 -0.03 0.00 0.00 56.01 50.35 1lfl n LEU 113 Cb 0.20 -0.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.67 1lfl n LEU 113 CO 0.18 2.19 0.60 1.55 -1.33 0.00 0.00 177.39 180.58 1lfl h PRO 114 N 3.66 -0.31 -0.36 3.23 0.13 -1.85 -0.71 132.00 135.79 1lfl h PRO 114 Ca 0.17 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 65.26 1lfl h PRO 114 Cb 0.60 0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 1lfl h PRO 114 CO 0.82 -0.21 -0.04 0.00 -0.23 0.00 0.00 178.00 178.34 1lfl h ALA 115 N 0.51 1.26 0.20 -0.56 0.00 -1.95 -3.28 119.26 115.44 1lfl h ALA 115 Ca 0.14 -0.24 -0.27 0.00 0.00 0.00 0.00 54.91 54.54 1lfl h ALA 115 Cb 0.57 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.24 1lfl h ALA 115 CO -0.53 0.49 -1.17 0.93 0.00 0.00 0.00 179.25 178.97 1lfl h GLU 116 N 0.55 0.43 -4.76 0.00 3.07 -1.89 -3.40 114.58 108.57 1lfl h GLU 116 Ca 0.11 -0.74 -0.61 0.00 -0.50 0.00 0.00 59.36 57.62 1lfl h GLU 116 Cb 0.42 0.28 0.10 0.00 -0.84 0.00 0.00 28.75 28.70 1lfl h GLU 116 CO 0.02 1.35 1.78 0.34 -1.40 0.00 0.00 179.01 181.10 1lfl n PHE 117 N -3.91 0.89 -3.01 4.33 7.35 -0.30 -4.64 117.46 118.17 1lfl n PHE 117 Ca -0.16 -1.11 -0.27 0.00 -0.76 0.00 0.00 57.45 55.16 1lfl n PHE 117 Cb 0.98 -1.23 -0.01 0.00 0.35 0.00 0.00 39.48 39.57 1lfl n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1lfl s THR 118 N 6.24 4.98 0.41 -2.13 -4.23 -1.26 -4.79 115.64 114.85 1lfl s THR 118 Ca 0.64 0.02 0.24 0.00 -1.18 0.00 0.00 61.69 61.41 1lfl s THR 118 Cb 0.14 -3.83 0.43 0.00 1.34 0.00 0.00 72.50 70.59 1lfl s THR 118 CO 0.24 -0.63 1.66 -0.65 -0.54 0.00 0.00 174.62 174.71 1lfl h PRO 119 N 0.77 0.19 0.02 3.99 0.11 -1.99 0.33 132.00 135.42 1lfl h PRO 119 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 1lfl h PRO 119 Cb 1.20 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1lfl h PRO 119 CO 0.63 0.13 -0.01 0.00 -0.21 0.00 0.00 178.00 178.53 1lfl h ALA 120 N 1.66 -0.02 -0.58 -0.75 0.00 -1.93 -1.30 119.26 116.33 1lfl h ALA 120 Ca 0.75 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 1lfl h ALA 120 Cb 2.15 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1lfl h ALA 120 CO -0.43 -0.19 0.36 0.28 0.00 0.00 0.00 179.25 179.27 1lfl h VAL 121 N -0.67 1.17 -0.01 0.00 2.07 -1.30 -0.35 116.25 117.15 1lfl h VAL 121 Ca -0.00 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.16 1lfl h VAL 121 Cb 0.64 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1lfl h VAL 121 CO 0.00 0.17 -0.41 -0.74 0.02 0.00 0.00 177.57 176.61 1lfl h HIS 122 N 0.79 -1.22 -1.00 1.57 6.17 -0.49 0.51 115.15 121.48 1lfl h HIS 122 Ca 0.21 0.04 0.25 0.00 0.71 0.00 0.00 60.37 61.58 1lfl h HIS 122 Cb -0.03 0.53 -0.13 0.00 2.52 0.00 0.00 27.41 30.31 1lfl h HIS 122 CO -0.02 -0.44 0.59 0.00 0.71 0.00 0.00 177.93 178.76 1lfl h ALA 123 N -0.66 1.79 -0.09 5.26 0.00 -0.88 -1.11 119.26 123.57 1lfl h ALA 123 Ca 0.01 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1lfl h ALA 123 Cb 0.55 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1lfl h ALA 123 CO -0.28 -0.29 -0.19 0.77 0.00 0.00 0.00 179.25 179.26 1lfl h SER 124 N 0.56 0.32 -0.99 0.00 0.02 0.63 -2.99 113.55 111.09 1lfl h SER 124 Ca 0.65 -0.57 0.06 0.00 -0.84 0.00 0.00 61.79 61.09 1lfl h SER 124 Cb 1.25 -0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.63 1lfl h SER 124 CO -0.49 0.83 0.64 -0.07 -1.14 0.00 0.00 176.83 176.60 1lfl h LEU 125 N -0.18 1.03 0.24 5.07 3.38 0.11 -0.46 115.31 124.50 1lfl h LEU 125 Ca 0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1lfl h LEU 125 Cb 0.78 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1lfl h LEU 125 CO 0.04 0.66 -0.11 -0.78 0.09 0.00 0.00 178.44 178.34 1lfl h ASP 126 N 1.17 -0.27 -0.80 -0.43 3.58 -1.35 -0.48 116.42 117.84 1lfl h ASP 126 Ca 0.43 -0.02 0.10 0.00 0.42 0.00 0.00 57.03 57.96 1lfl h ASP 126 Cb 0.16 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.20 1lfl h ASP 126 CO -0.17 -0.16 0.44 0.11 -2.88 0.00 0.00 179.24 176.58 1lfl h LYS 127 N -0.36 0.69 0.52 0.28 1.57 -1.31 0.26 116.57 118.23 1lfl h LYS 127 Ca -0.03 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1lfl h LYS 127 Cb 0.28 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1lfl h LYS 127 CO 0.05 0.46 -0.45 0.35 -0.57 0.00 0.00 179.45 179.30 1lfl h PHE 128 N 0.71 -1.22 -0.20 -1.35 3.57 -0.54 -1.06 116.94 116.85 1lfl h PHE 128 Ca 0.40 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.93 1lfl h PHE 128 Cb 0.41 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1lfl h PHE 128 CO -0.08 -0.61 0.14 -0.07 -2.23 0.00 0.00 178.31 175.46 1lfl h LEU 129 N -0.95 0.12 -0.39 0.59 3.38 -0.81 0.87 115.31 118.13 1lfl h LEU 129 Ca -0.07 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.92 1lfl h LEU 129 Cb 0.80 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 1lfl h LEU 129 CO -0.01 0.09 0.22 0.00 0.09 0.00 0.00 178.44 178.82 1lfl h ALA 130 N 1.89 0.49 -0.21 1.53 0.00 -0.33 -1.50 119.26 121.12 1lfl h ALA 130 Ca 0.09 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 1lfl h ALA 130 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1lfl h ALA 130 CO -0.01 -0.13 -0.32 0.77 0.00 0.00 0.00 179.25 179.56 1lfl h SER 131 N 0.44 0.45 0.46 0.00 0.02 0.41 -1.47 113.55 113.86 1lfl h SER 131 Ca 0.16 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1lfl h SER 131 Cb 0.03 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1lfl h SER 131 CO -0.09 0.75 -0.35 0.58 -1.14 0.00 0.00 176.83 176.58 1lfl h VAL 132 N 0.38 1.11 -0.07 2.27 2.07 -0.79 -0.94 116.25 120.28 1lfl h VAL 132 Ca 0.05 -1.25 -0.11 0.00 0.82 0.00 0.00 66.70 66.21 1lfl h VAL 132 Cb 0.75 1.70 0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1lfl h VAL 132 CO 0.06 0.34 -0.39 0.28 0.02 0.00 0.00 177.57 177.88 1lfl h SER 133 N 0.00 0.46 -0.90 0.57 0.02 -0.90 -1.97 113.55 110.83 1lfl h SER 133 Ca -0.00 -0.66 0.06 0.00 -0.84 0.00 0.00 61.79 60.34 1lfl h SER 133 Cb 0.67 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 63.01 1lfl h SER 133 CO 0.05 1.05 0.57 0.74 -1.14 0.00 0.00 176.83 178.09 1lfl h THR 134 N -0.09 1.08 -0.05 -2.27 2.02 -0.97 -0.04 112.91 112.58 1lfl h THR 134 Ca -0.03 -0.36 -0.17 0.00 0.77 0.00 0.00 66.41 66.62 1lfl h THR 134 Cb 1.05 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 1lfl h THR 134 CO 0.08 0.19 -0.71 0.58 0.37 0.00 0.00 175.52 176.03 1lfl h VAL 135 N 1.05 1.41 -0.00 3.16 2.07 -1.19 -2.72 116.25 120.03 1lfl h VAL 135 Ca 0.38 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 65.71 1lfl h VAL 135 Cb 0.13 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1lfl h VAL 135 CO -0.16 0.65 -0.00 0.18 0.02 0.00 0.00 177.57 178.26 1lfl n LEU 136 N -3.81 0.15 -0.00 2.57 4.77 -0.42 -3.50 117.00 116.76 1lfl n LEU 136 Ca -0.03 -0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 1lfl n LEU 136 Cb 0.69 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 1lfl n LEU 136 CO 0.46 0.03 -0.11 0.41 -1.33 0.00 0.00 177.39 176.85 1lfl n THR 137 N -0.93 0.00 0.29 -5.08 -1.04 -0.16 -4.65 114.28 102.71 1lfl n THR 137 Ca 0.22 -0.36 0.07 0.00 -2.04 0.00 0.00 64.05 61.95 1lfl n THR 137 Cb 0.15 0.89 0.33 0.00 -1.82 0.00 0.00 70.33 69.88 1lfl n THR 137 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1lfl n SER 138 N -1.18 0.27 -1.51 8.00 3.41 -1.03 -2.51 113.62 119.08 1lfl n SER 138 Ca 0.00 0.59 0.10 0.00 -0.26 0.00 0.00 58.87 59.30 1lfl n SER 138 Cb 0.05 -0.64 0.34 0.00 -0.26 0.00 0.00 64.21 63.71 1lfl n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1lfl n LYS 139 N -1.83 3.43 -0.07 4.33 4.76 -1.26 -4.57 118.16 122.94 1lfl n LYS 139 Ca 0.01 -2.74 -0.12 0.00 -2.87 0.00 0.00 58.31 52.59 1lfl n LYS 139 Cb 0.12 -1.81 -0.05 0.00 -1.84 0.00 0.00 35.03 31.45 1lfl n LYS 139 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1lfl h TYR 140 N 4.05 0.53 0.00 2.13 0.99 -1.83 -3.44 116.97 119.40 1lfl h TYR 140 Ca 0.00 -0.13 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1lfl h TYR 140 Cb 1.31 -0.12 0.00 0.00 1.00 0.00 0.00 36.73 38.92 1lfl h TYR 140 CO 0.69 0.74 0.00 2.89 -0.00 0.00 0.00 178.16 182.48