#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 0.96 0.18 7.52 1.43 -1.26 -5.09 118.68 122.42 1lfl s LEU 2 Ca 0.00 0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.76 1lfl s LEU 2 Cb 0.00 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1lfl s LEU 2 CO 0.00 -3.90 0.04 -0.94 0.23 0.00 0.00 176.35 171.79 1lfl s SER 3 N -3.93 0.87 0.39 2.29 1.04 -1.26 -4.98 113.70 108.12 1lfl s SER 3 Ca 0.70 -1.24 0.18 0.00 0.48 0.00 0.00 55.95 56.08 1lfl s SER 3 Cb -0.10 0.20 1.09 0.00 0.10 0.00 0.00 66.02 67.30 1lfl s SER 3 CO 0.56 -0.66 1.77 -0.65 0.98 0.00 0.00 173.24 175.23 1lfl h PRO 4 N 2.68 0.39 0.12 4.02 0.11 -1.99 0.83 132.00 138.17 1lfl h PRO 4 Ca -0.36 -0.02 -0.28 0.00 0.11 0.00 0.00 66.00 65.44 1lfl h PRO 4 Cb 1.21 -0.09 0.03 0.00 0.11 0.00 0.00 31.00 32.26 1lfl h PRO 4 CO 0.61 0.26 -1.16 0.00 -0.21 0.00 0.00 178.00 177.50 1lfl h ALA 5 N 1.63 -0.02 -0.10 -0.75 0.00 -1.99 -2.73 119.26 115.30 1lfl h ALA 5 Ca 0.60 -0.75 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1lfl h ALA 5 Cb 1.49 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.36 1lfl h ALA 5 CO -0.31 0.62 -0.05 -0.44 0.00 0.00 0.00 179.25 179.07 1lfl h ASP 6 N 0.17 -0.18 -0.71 0.00 3.32 -1.44 0.63 116.42 118.21 1lfl h ASP 6 Ca -0.18 0.04 0.10 0.00 0.02 0.00 0.00 57.03 57.02 1lfl h ASP 6 Cb 1.85 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 41.42 1lfl h ASP 6 CO 0.22 -0.08 0.33 0.11 -1.72 0.00 0.00 179.24 178.11 1lfl h LYS 7 N -0.05 0.53 -0.22 3.56 1.57 -0.99 0.26 116.57 121.23 1lfl h LYS 7 Ca 0.06 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1lfl h LYS 7 Cb 0.14 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 1lfl h LYS 7 CO -0.13 0.35 -0.30 1.15 -0.57 0.00 0.00 179.45 179.95 1lfl h THR 8 N 0.55 1.32 -0.13 -0.16 2.02 -1.09 -0.54 112.91 114.89 1lfl h THR 8 Ca 0.36 -1.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.00 1lfl h THR 8 Cb 0.42 1.76 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1lfl h THR 8 CO -0.30 0.46 -0.12 0.78 0.37 0.00 0.00 175.52 176.71 1lfl h ASN 9 N 0.29 0.18 0.19 4.18 2.35 -0.46 0.39 115.58 122.70 1lfl h ASN 9 Ca 0.03 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1lfl h ASN 9 Cb 0.87 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.20 1lfl h ASN 9 CO 0.07 0.33 -0.09 0.58 -1.65 0.00 0.00 177.43 176.68 1lfl h VAL 10 N 0.19 0.92 0.00 2.81 2.07 -0.25 0.68 116.25 122.67 1lfl h VAL 10 Ca 0.04 -0.79 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 1lfl h VAL 10 Cb 0.34 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1lfl h VAL 10 CO 0.02 0.17 -0.04 0.11 0.02 0.00 0.00 177.57 177.85 1lfl h LYS 11 N -0.66 0.00 0.29 1.57 1.57 -0.78 -1.04 116.57 117.52 1lfl h LYS 11 Ca -0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 1lfl h LYS 11 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1lfl h LYS 11 CO 0.04 0.04 -0.14 0.00 -0.57 0.00 0.00 179.45 178.82 1lfl h ALA 12 N 1.96 -0.39 -0.76 3.86 0.00 0.06 -2.13 119.26 121.86 1lfl h ALA 12 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1lfl h ALA 12 Cb 0.07 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1lfl h ALA 12 CO 0.00 -0.51 0.40 0.00 0.00 0.00 0.00 179.25 179.14 1lfl h ALA 13 N -0.29 1.27 -0.17 0.00 0.00 -0.47 -2.99 119.26 116.61 1lfl h ALA 13 Ca -0.04 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.58 1lfl h ALA 13 Cb 0.51 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1lfl h ALA 13 CO 0.07 0.58 -0.59 2.35 0.00 0.00 0.00 179.25 181.65 1lfl h TRP 14 N 1.06 0.71 0.00 0.00 2.91 -1.24 -2.55 115.95 116.84 1lfl h TRP 14 Ca 0.27 -0.26 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1lfl h TRP 14 Cb 0.05 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 28.57 1lfl h TRP 14 CO 0.01 1.01 0.00 0.78 -1.03 0.00 0.00 178.44 179.21 1lfl h GLY 15 N 1.06 0.00 1.33 2.65 0.00 -1.23 0.61 103.07 107.48 1lfl h GLY 15 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 1lfl h GLY 15 CO 0.11 0.00 -0.74 1.70 0.00 0.00 0.00 176.54 177.61 1lfl h LYS 16 N 0.00 0.00 -0.24 4.80 1.63 -1.41 -3.23 116.57 118.12 1lfl h LYS 16 Ca 0.00 0.00 -0.19 0.00 -0.85 0.00 0.00 60.65 59.61 1lfl h LYS 16 Cb 0.13 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.76 1lfl h LYS 16 CO 0.00 0.06 -0.59 0.28 -3.45 0.00 0.00 179.45 175.75 1lfl h VAL 17 N 0.00 1.28 0.00 2.00 2.07 -0.72 -3.46 116.25 117.42 1lfl h VAL 17 Ca -0.02 -1.78 0.00 0.00 0.82 0.00 0.00 66.70 65.72 1lfl h VAL 17 Cb 1.08 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.62 1lfl h VAL 17 CO 0.01 0.57 0.00 0.61 0.02 0.00 0.00 177.57 178.78 1lfl n GLY 18 N 0.47 2.65 0.44 2.17 0.00 -0.95 -1.20 105.19 108.78 1lfl n GLY 18 Ca -0.05 0.33 0.04 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 10.55 2.47 0.44 4.61 0.00 -1.26 -3.60 120.51 133.72 1lfl n ALA 19 Ca 0.00 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.13 1lfl n ALA 19 Cb 0.00 -0.99 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 0.19 0.10 -0.25 0.00 8.25 -0.34 -4.43 115.22 118.75 1lfl n HIS 20 Ca 0.09 0.03 0.18 0.00 -0.26 0.00 0.00 57.72 57.75 1lfl n HIS 20 Cb 0.21 -0.35 0.33 0.00 1.12 0.00 0.00 29.99 31.30 1lfl n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1lfl n ALA 21 N -1.92 0.58 -0.04 -1.41 0.00 -1.24 0.74 120.51 117.23 1lfl n ALA 21 Ca 0.00 0.77 -0.12 0.00 0.00 0.00 0.00 53.44 54.09 1lfl n ALA 21 Cb 0.46 -0.67 -0.06 0.00 0.00 0.00 0.00 19.45 19.18 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 0.24 2.00 0.00 0.00 -1.87 -1.71 103.07 101.73 1lfl h GLY 22 Ca 0.54 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.71 1lfl h GLY 22 CO -0.63 0.15 0.00 1.05 0.00 0.00 0.00 176.54 177.11 1lfl h GLU 23 N -0.00 0.00 0.10 4.80 4.11 0.03 -2.91 114.58 120.71 1lfl h GLU 23 Ca 0.04 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.20 1lfl h GLU 23 Cb 0.31 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 1lfl h GLU 23 CO 0.00 0.00 -1.17 1.88 0.07 0.00 0.00 179.01 179.79 1lfl h TYR 24 N 0.00 0.60 -0.38 2.06 0.99 -0.77 -2.26 116.97 117.20 1lfl h TYR 24 Ca 0.00 -0.40 -0.09 0.00 2.00 0.00 0.00 58.73 60.24 1lfl h TYR 24 Cb 0.77 -0.04 -0.01 0.00 1.00 0.00 0.00 36.73 38.45 1lfl h TYR 24 CO 0.00 1.28 -0.12 0.78 -0.00 0.00 0.00 178.16 180.10 1lfl h GLY 25 N 1.29 0.80 0.96 3.88 0.00 -1.26 0.64 103.07 109.38 1lfl h GLY 25 Ca -0.13 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.52 1lfl h GLY 25 CO 0.20 0.62 -0.01 0.00 0.00 0.00 0.00 176.54 177.35 1lfl h ALA 26 N 0.82 -0.02 -0.08 3.60 0.00 -1.58 0.90 119.26 122.90 1lfl h ALA 26 Ca 0.09 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1lfl h ALA 26 Cb 0.64 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 1lfl h ALA 26 CO 0.04 -0.49 -0.01 1.49 0.00 0.00 0.00 179.25 180.28 1lfl h GLU 27 N -0.06 0.02 -0.76 0.00 4.81 -1.29 0.39 114.58 117.69 1lfl h GLU 27 Ca -0.00 -0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.40 1lfl h GLU 27 Cb 0.05 -0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.30 1lfl h GLU 27 CO 0.00 0.01 0.09 0.00 -0.73 0.00 0.00 179.01 178.38 1lfl h ALA 28 N 1.07 0.90 -0.24 2.92 0.00 0.76 0.97 119.26 125.63 1lfl h ALA 28 Ca 0.04 0.21 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 1lfl h ALA 28 Cb 0.05 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1lfl h ALA 28 CO -0.07 -0.40 -0.04 -0.07 0.00 0.00 0.00 179.25 178.66 1lfl h LEU 29 N 0.17 0.46 -0.40 0.00 3.38 -0.12 -1.92 115.31 116.87 1lfl h LEU 29 Ca 0.43 -0.35 0.07 0.00 0.09 0.00 0.00 57.88 58.12 1lfl h LEU 29 Cb 0.77 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 1lfl h LEU 29 CO -0.61 0.70 0.05 -0.08 0.09 0.00 0.00 178.44 178.59 1lfl h GLU 30 N 0.20 0.16 -0.63 1.13 4.81 0.63 0.35 114.58 121.23 1lfl h GLU 30 Ca 0.06 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1lfl h GLU 30 Cb 0.49 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 1lfl h GLU 30 CO 0.02 0.11 0.34 0.00 -0.73 0.00 0.00 179.01 178.75 1lfl h ARG 31 N 0.16 0.63 -0.73 1.92 3.08 -0.79 -1.03 114.38 117.62 1lfl h ARG 31 Ca 0.20 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.14 1lfl h ARG 31 Cb 0.26 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1lfl h ARG 31 CO -0.29 0.41 0.21 1.98 -1.07 0.00 0.00 179.97 181.22 1lfl h MET 32 N 0.64 1.15 -0.15 0.04 4.05 -0.15 0.64 114.93 121.15 1lfl h MET 32 Ca 0.28 -0.26 -0.11 0.00 -0.28 0.00 0.00 59.70 59.33 1lfl h MET 32 Cb 0.17 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1lfl h MET 32 CO -0.17 0.99 -0.38 0.74 0.23 0.00 0.00 176.91 178.32 1lfl h PHE 33 N 1.10 0.38 0.15 1.39 0.04 0.35 -1.01 116.94 119.33 1lfl h PHE 33 Ca 0.23 -0.10 -0.32 0.00 2.80 0.00 0.00 57.97 60.58 1lfl h PHE 33 Cb 0.34 -0.09 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1lfl h PHE 33 CO 0.03 0.66 -1.59 -0.07 -0.60 0.00 0.00 178.31 176.74 1lfl h LEU 34 N 0.28 0.49 -0.05 1.54 3.38 -1.09 -3.22 115.31 116.64 1lfl h LEU 34 Ca 0.03 -0.69 -0.25 0.00 0.09 0.00 0.00 57.88 57.07 1lfl h LEU 34 Cb 0.80 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1lfl h LEU 34 CO 0.06 1.57 -1.07 0.28 0.09 0.00 0.00 178.44 179.37 1lfl h SER 35 N 0.09 0.50 -2.37 -0.43 0.02 -0.88 -3.39 113.55 107.09 1lfl h SER 35 Ca -0.27 -0.46 -0.59 0.00 -0.84 0.00 0.00 61.79 59.63 1lfl h SER 35 Cb 2.05 -0.16 -0.40 0.00 0.14 0.00 0.00 62.40 64.04 1lfl h SER 35 CO 0.18 1.29 -0.86 0.49 -1.14 0.00 0.00 176.83 176.79 1lfl n PHE 36 N -3.67 0.97 -0.32 3.45 3.01 -0.39 -5.00 117.46 115.51 1lfl n PHE 36 Ca -0.08 -3.75 0.22 0.00 1.01 0.00 0.00 57.45 54.85 1lfl n PHE 36 Cb 0.91 -0.25 0.43 0.00 -0.01 0.00 0.00 39.48 40.56 1lfl n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1lfl h PRO 37 N 4.82 0.21 -0.69 -1.08 0.13 -1.73 -0.92 132.00 132.74 1lfl h PRO 37 Ca 0.17 -0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.49 1lfl h PRO 37 Cb 0.82 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.88 1lfl h PRO 37 CO 0.56 0.14 0.72 1.79 -0.23 0.00 0.00 178.00 180.97 1lfl h THR 38 N 0.22 0.27 0.00 1.56 1.35 -1.92 0.43 112.91 114.82 1lfl h THR 38 Ca 0.70 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.55 1lfl h THR 38 Cb 1.59 0.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 1lfl h THR 38 CO -0.67 0.00 -0.06 0.71 -0.25 0.00 0.00 175.52 175.25 1lfl h THR 39 N 0.00 0.21 0.00 6.82 1.35 -1.48 -2.90 112.91 116.90 1lfl h THR 39 Ca 0.33 -0.51 -0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1lfl h THR 39 Cb 1.76 1.41 -0.00 0.00 -1.73 0.00 0.00 68.15 69.59 1lfl h THR 39 CO -0.00 0.06 -0.02 0.11 -0.25 0.00 0.00 175.52 175.41 1lfl h LYS 40 N 0.00 0.00 -0.57 4.72 1.57 -0.32 -2.84 116.57 119.12 1lfl h LYS 40 Ca -0.00 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 58.95 1lfl h LYS 40 Cb 0.41 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1lfl h LYS 40 CO 0.01 0.02 0.49 1.79 -0.57 0.00 0.00 179.45 181.19 1lfl h THR 41 N 0.00 0.50 0.00 -0.16 1.35 -1.69 0.86 112.91 113.77 1lfl h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1lfl h THR 41 Cb 0.06 0.64 0.00 0.00 -1.73 0.00 0.00 68.15 67.12 1lfl h THR 41 CO 0.00 0.00 0.00 1.88 -0.25 0.00 0.00 175.52 177.15 1lfl h TYR 42 N 0.00 0.00 -2.33 4.73 0.05 -1.76 -3.35 116.97 114.31 1lfl h TYR 42 Ca 0.27 0.00 -0.66 0.00 0.05 0.00 0.00 58.73 58.39 1lfl h TYR 42 Cb 1.25 0.00 -0.37 0.00 1.01 0.00 0.00 36.73 38.62 1lfl h TYR 42 CO 0.00 0.00 -0.10 1.19 -1.05 0.00 0.00 178.16 178.20 1lfl n PHE 43 N -2.90 3.49 0.09 4.88 3.01 0.30 -4.83 117.46 121.50 1lfl n PHE 43 Ca 0.04 -3.56 -0.03 0.00 1.01 0.00 0.00 57.45 54.91 1lfl n PHE 43 Cb 0.49 -0.75 0.18 0.00 -0.01 0.00 0.00 39.48 39.40 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 3.80 0.25 -0.84 -1.08 0.13 -1.71 -3.07 132.00 129.48 1lfl h PRO 44 Ca 0.24 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1lfl h PRO 44 Cb 0.51 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.65 1lfl h PRO 44 CO 0.96 0.68 0.00 -2.39 -0.23 0.00 0.00 178.00 177.02 1lfl n HIS 45 N -3.97 0.78 -4.36 1.56 1.44 -1.26 -4.90 115.22 104.50 1lfl n HIS 45 Ca -0.02 -0.27 -0.27 0.00 -2.01 0.00 0.00 57.72 55.16 1lfl n HIS 45 Cb 0.53 -0.25 -0.10 0.00 0.12 0.00 0.00 29.99 30.28 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 -1.66 2.47 -0.68 -1.40 2.99 -1.16 -5.06 117.98 113.47 1lfl s PHE 46 Ca 0.20 -0.29 -0.16 0.00 0.00 0.00 0.00 56.93 56.68 1lfl s PHE 46 Cb 0.15 -1.21 0.15 0.00 0.00 0.00 0.00 43.02 42.12 1lfl s PHE 46 CO 0.06 0.51 0.70 0.34 -0.00 0.00 0.00 175.22 176.83 1lfl s ASP 47 N -2.76 6.42 0.00 1.36 2.15 -1.26 -4.91 116.67 117.67 1lfl s ASP 47 Ca 0.23 -2.03 0.00 0.00 0.43 0.00 0.00 52.55 51.18 1lfl s ASP 47 Cb -0.08 -2.25 0.00 0.00 -0.30 0.00 0.00 42.92 40.29 1lfl s ASP 47 CO 0.13 -0.84 0.73 0.18 -0.17 0.00 0.00 175.17 175.19 1lfl n LEU 48 N 5.19 0.27 -4.80 -1.34 4.77 -1.26 -4.61 117.00 115.22 1lfl n LEU 48 Ca -0.00 -0.13 -0.32 0.00 -0.03 0.00 0.00 56.01 55.53 1lfl n LEU 48 Cb 0.44 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1lfl n LEU 48 CO 0.48 0.07 0.71 -0.94 -1.33 0.00 0.00 177.39 176.38 1lfl s SER 49 N -0.83 5.45 0.42 -1.43 1.04 -1.26 -4.96 113.70 112.13 1lfl s SER 49 Ca 0.00 1.75 -0.25 0.00 0.48 0.00 0.00 55.95 57.93 1lfl s SER 49 Cb 0.00 -2.52 -0.10 0.00 0.10 0.00 0.00 66.02 63.50 1lfl s SER 49 CO 0.00 -1.39 1.25 1.57 0.98 0.00 0.00 173.24 175.64 1lfl n HIS 50 N -2.64 2.04 -0.20 5.02 -0.00 -1.26 -1.84 115.22 116.33 1lfl n HIS 50 Ca 0.08 0.51 0.00 0.00 0.46 0.00 0.00 57.72 58.77 1lfl n HIS 50 Cb 0.53 -2.36 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 1lfl n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1lfl n GLY 51 N 0.85 2.03 3.64 1.57 0.00 -1.26 -4.97 105.19 107.04 1lfl n GLY 51 Ca 0.07 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.64 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 0.00 2.17 0.21 1.61 2.88 -0.77 -4.88 113.62 114.85 1lfl n SER 52 Ca 0.00 1.16 0.05 0.00 -1.33 0.00 0.00 58.87 58.75 1lfl n SER 52 Cb 0.00 -1.36 0.47 0.00 -0.75 0.00 0.00 64.21 62.57 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 3.41 1.54 -0.02 -1.46 0.00 -1.90 -1.73 119.26 119.10 1lfl h ALA 53 Ca -0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1lfl h ALA 53 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1lfl h ALA 53 CO 0.70 0.31 -0.01 1.96 0.00 0.00 0.00 179.25 182.21 1lfl h GLN 54 N 0.00 0.04 -0.13 0.00 4.20 -1.90 0.20 115.11 117.52 1lfl h GLN 54 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1lfl h GLN 54 Cb 0.45 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1lfl h GLN 54 CO 0.03 0.47 0.06 0.28 -0.67 0.00 0.00 178.83 179.00 1lfl h VAL 55 N -0.40 1.14 -0.93 -0.54 2.07 -1.79 0.18 116.25 115.97 1lfl h VAL 55 Ca 0.00 -0.41 0.15 0.00 0.82 0.00 0.00 66.70 67.27 1lfl h VAL 55 Cb 0.46 1.17 -0.08 0.00 -1.52 0.00 0.00 31.29 31.33 1lfl h VAL 55 CO 0.00 0.12 0.60 0.11 0.02 0.00 0.00 177.57 178.42 1lfl h LYS 56 N 0.07 0.72 0.40 1.57 1.57 -1.31 0.34 116.57 119.93 1lfl h LYS 56 Ca 0.04 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1lfl h LYS 56 Cb 0.15 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.30 1lfl h LYS 56 CO -0.00 0.48 -0.19 0.78 -0.57 0.00 0.00 179.45 179.94 1lfl h GLY 57 N 0.74 -0.56 0.31 3.86 0.00 0.44 -2.97 103.07 104.89 1lfl h GLY 57 Ca 0.48 0.21 0.13 0.00 0.00 0.00 0.00 47.33 48.15 1lfl h GLY 57 CO -0.24 -0.20 0.40 0.84 0.00 0.00 0.00 176.54 177.33 1lfl h HIS 58 N -0.82 0.70 -0.97 5.60 -0.00 -0.45 0.20 115.15 119.42 1lfl h HIS 58 Ca -0.05 0.03 0.16 0.00 -0.00 0.00 0.00 60.37 60.51 1lfl h HIS 58 Cb 0.41 -0.19 -0.09 0.00 -0.00 0.00 0.00 27.41 27.54 1lfl h HIS 58 CO 0.04 0.19 0.61 0.78 -0.00 0.00 0.00 177.93 179.56 1lfl h GLY 59 N 0.61 1.52 1.45 5.26 0.00 -0.39 0.35 103.07 111.87 1lfl h GLY 59 Ca 0.42 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.27 1lfl h GLY 59 CO -0.33 0.04 -0.38 1.70 0.00 0.00 0.00 176.54 177.57 1lfl h LYS 60 N 0.77 0.61 -0.39 4.80 3.64 -0.80 0.66 116.57 125.87 1lfl h LYS 60 Ca 0.52 -0.30 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 1lfl h LYS 60 Cb 0.78 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.58 1lfl h LYS 60 CO -0.29 0.89 0.14 0.87 -2.27 0.00 0.00 179.45 178.79 1lfl h LYS 61 N 0.51 0.59 -0.30 1.90 1.79 -0.04 -0.80 116.57 120.22 1lfl h LYS 61 Ca 0.05 -0.12 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 1lfl h LYS 61 Cb 0.88 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 1lfl h LYS 61 CO 0.08 0.58 0.06 0.28 -1.08 0.00 0.00 179.45 179.37 1lfl h VAL 62 N 0.48 1.23 -0.82 0.50 2.07 -0.24 -2.57 116.25 116.89 1lfl h VAL 62 Ca 0.13 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 1lfl h VAL 62 Cb 0.23 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.12 1lfl h VAL 62 CO -0.01 0.26 0.35 0.00 0.02 0.00 0.00 177.57 178.19 1lfl h ALA 63 N 0.89 1.07 -0.55 1.67 0.00 -0.72 -2.50 119.26 119.12 1lfl h ALA 63 Ca 0.09 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1lfl h ALA 63 Cb 0.33 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1lfl h ALA 63 CO 0.00 0.67 0.36 -0.44 0.00 0.00 0.00 179.25 179.85 1lfl h ASP 64 N 1.19 0.64 -0.49 0.00 3.32 -1.04 0.11 116.42 120.15 1lfl h ASP 64 Ca 0.28 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1lfl h ASP 64 Cb 0.18 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.52 1lfl h ASP 64 CO -0.03 0.47 0.18 0.00 -1.72 0.00 0.00 179.24 178.14 1lfl h ALA 65 N 1.20 0.60 -0.24 3.45 0.00 -1.22 0.12 119.26 123.17 1lfl h ALA 65 Ca 0.20 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1lfl h ALA 65 Cb -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1lfl h ALA 65 CO -0.04 -0.21 0.08 -0.07 0.00 0.00 0.00 179.25 179.00 1lfl h LEU 66 N 0.36 0.34 -0.74 0.00 3.38 -0.96 -0.25 115.31 117.44 1lfl h LEU 66 Ca 0.23 -0.20 0.11 0.00 0.09 0.00 0.00 57.88 58.12 1lfl h LEU 66 Cb 0.24 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.82 1lfl h LEU 66 CO -0.23 0.45 0.35 0.74 0.09 0.00 0.00 178.44 179.83 1lfl h THR 67 N 0.21 0.78 -0.03 0.22 2.02 -0.13 0.36 112.91 116.35 1lfl h THR 67 Ca 0.08 -0.19 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1lfl h THR 67 Cb 0.22 0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1lfl h THR 67 CO -0.00 0.10 -0.05 -1.13 0.37 0.00 0.00 175.52 174.81 1lfl h ASN 68 N 0.56 -0.15 -0.88 4.18 -1.24 -0.23 -2.52 115.58 115.30 1lfl h ASN 68 Ca 0.38 0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.48 1lfl h ASN 68 Cb 0.47 0.07 -0.06 0.00 0.73 0.00 0.00 38.32 39.53 1lfl h ASN 68 CO -0.32 -0.07 0.55 0.00 -1.29 0.00 0.00 177.43 176.30 1lfl h ALA 69 N 0.96 1.21 -0.44 1.57 0.00 0.87 -1.87 119.26 121.56 1lfl h ALA 69 Ca 0.03 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1lfl h ALA 69 Cb 0.12 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.60 1lfl h ALA 69 CO -0.08 0.30 0.06 0.28 0.00 0.00 0.00 179.25 179.81 1lfl h VAL 70 N 1.00 0.73 0.00 0.00 2.07 0.03 0.57 116.25 120.65 1lfl h VAL 70 Ca 0.38 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.84 1lfl h VAL 70 Cb 0.17 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1lfl h VAL 70 CO -0.17 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.45 1lfl n ALA 71 N -2.52 1.65 -1.49 1.67 0.00 -0.75 -1.75 120.51 117.32 1lfl n ALA 71 Ca 0.04 0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1lfl n ALA 71 Cb 0.22 -1.32 0.18 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.93 0.00 0.31 0.00 8.25 -0.43 -4.79 115.22 116.63 1lfl n HIS 72 Ca 0.03 -1.32 0.10 0.00 -0.26 0.00 0.00 57.72 56.26 1lfl n HIS 72 Cb 0.20 -0.22 0.52 0.00 1.12 0.00 0.00 29.99 31.61 1lfl n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1lfl h VAL 73 N 0.96 0.00 -0.54 1.59 3.04 -0.09 1.77 116.25 122.97 1lfl h VAL 73 Ca -0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1lfl h VAL 73 Cb 1.03 0.42 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 1lfl h VAL 73 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.03 1lfl n ASP 74 N -2.64 3.51 -2.70 3.17 8.00 -1.26 -4.58 116.55 120.05 1lfl n ASP 74 Ca -0.01 -2.04 -0.07 0.00 0.71 0.00 0.00 54.79 53.38 1lfl n ASP 74 Cb 0.55 -0.37 0.10 0.00 -0.02 0.00 0.00 41.12 41.37 1lfl n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1lfl n ASP 75 N 1.06 -1.86 -0.06 -2.24 2.03 0.60 -5.02 116.55 111.04 1lfl n ASP 75 Ca 0.18 -2.54 -0.14 0.00 0.52 0.00 0.00 54.79 52.81 1lfl n ASP 75 Cb 0.55 1.17 -0.06 0.00 -0.72 0.00 0.00 41.12 42.05 1lfl n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1lfl h MET 76 N 2.06 0.56 -0.99 -0.67 2.86 -1.61 -2.78 114.93 114.36 1lfl h MET 76 Ca -0.29 -0.35 0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1lfl h MET 76 Cb 1.26 0.04 -0.18 0.00 0.06 0.00 0.00 31.60 32.77 1lfl h MET 76 CO -0.05 0.95 0.19 -2.30 1.06 0.00 0.00 176.91 176.76 1lfl n PRO 77 N -4.32 -0.07 0.04 -0.22 -0.02 -1.26 -0.50 135.00 128.65 1lfl n PRO 77 Ca -0.06 1.45 0.04 0.00 -2.02 0.00 0.00 63.50 62.91 1lfl n PRO 77 Cb 0.49 -2.39 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 1lfl n PRO 77 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1lfl n ASN 78 N -5.41 0.72 0.20 2.55 4.13 -1.24 -2.76 115.26 113.45 1lfl n ASN 78 Ca 0.28 0.30 0.14 0.00 1.68 0.00 0.00 54.58 56.98 1lfl n ASN 78 Cb 0.93 0.48 0.44 0.00 -1.54 0.00 0.00 39.78 40.09 1lfl n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1lfl h ALA 79 N 1.62 1.00 0.00 5.41 0.00 -0.50 -3.29 119.26 123.50 1lfl h ALA 79 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1lfl h ALA 79 Cb 1.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1lfl h ALA 79 CO 0.03 0.00 -0.13 1.28 0.00 0.00 0.00 179.25 180.43 1lfl n LEU 80 N -2.76 0.95 -0.34 0.00 4.77 -0.43 -4.85 117.00 114.33 1lfl n LEU 80 Ca 0.03 -1.36 0.10 0.00 -0.03 0.00 0.00 56.01 54.75 1lfl n LEU 80 Cb 0.38 -0.09 0.29 0.00 -2.33 0.00 0.00 43.42 41.67 1lfl n LEU 80 CO 0.28 0.33 1.22 0.77 -1.33 0.00 0.00 177.39 178.66 1lfl h SER 81 N 0.00 0.84 -0.63 -1.43 4.64 -1.59 0.15 113.55 115.52 1lfl h SER 81 Ca 0.00 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 1lfl h SER 81 Cb 0.98 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.94 1lfl h SER 81 CO 0.00 0.41 0.22 0.00 -0.87 0.00 0.00 176.83 176.59 1lfl h ALA 82 N 1.58 0.82 0.00 5.18 0.00 -1.89 -1.16 119.26 123.79 1lfl h ALA 82 Ca 0.51 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.13 1lfl h ALA 82 Cb 0.65 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1lfl h ALA 82 CO -0.28 0.46 -0.46 -0.07 0.00 0.00 0.00 179.25 178.91 1lfl h LEU 83 N 0.89 0.00 -0.81 0.00 3.38 -1.47 -0.58 115.31 116.73 1lfl h LEU 83 Ca 0.21 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 1lfl h LEU 83 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1lfl h LEU 83 CO -0.01 0.46 -0.50 0.77 0.09 0.00 0.00 178.44 179.24 1lfl h SER 84 N 0.00 0.00 0.23 -0.43 4.64 -0.19 -2.46 113.55 115.34 1lfl h SER 84 Ca -0.00 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.99 1lfl h SER 84 Cb 0.85 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.97 1lfl h SER 84 CO 0.06 0.50 -1.46 -0.78 -0.87 0.00 0.00 176.83 174.28 1lfl h ASP 85 N 0.00 0.77 -0.29 4.97 1.82 -0.85 -3.06 116.42 119.78 1lfl h ASP 85 Ca -0.01 -0.93 0.02 0.00 -0.39 0.00 0.00 57.03 55.73 1lfl h ASP 85 Cb 1.02 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 40.76 1lfl h ASP 85 CO 0.07 1.69 0.13 0.25 -1.61 0.00 0.00 179.24 179.77 1lfl h LEU 86 N 0.08 0.18 -0.46 2.28 5.85 -1.02 -0.48 115.31 121.75 1lfl h LEU 86 Ca -0.26 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.38 1lfl h LEU 86 Cb 2.10 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 1lfl h LEU 86 CO 0.24 0.14 -0.46 0.45 -0.34 0.00 0.00 178.44 178.48 1lfl h HIS 87 N 0.28 0.00 0.09 1.25 3.86 -1.58 -1.59 115.15 117.46 1lfl h HIS 87 Ca 0.12 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.21 1lfl h HIS 87 Cb 0.06 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.54 1lfl h HIS 87 CO -0.11 0.46 -0.53 0.00 0.86 0.00 0.00 177.93 178.61 1lfl h ALA 88 N 1.54 -0.05 0.00 2.45 0.00 -1.39 0.23 119.26 122.04 1lfl h ALA 88 Ca -0.00 -0.62 -0.25 0.00 0.00 0.00 0.00 54.91 54.03 1lfl h ALA 88 Cb 1.16 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1lfl h ALA 88 CO 0.06 0.25 -1.49 0.72 0.00 0.00 0.00 179.25 178.79 1lfl n HIS 89 N -4.30 0.69 -0.03 0.00 8.25 -0.21 -4.09 115.22 115.53 1lfl n HIS 89 Ca -0.12 0.30 -0.02 0.00 -0.26 0.00 0.00 57.72 57.61 1lfl n HIS 89 Cb 0.70 -1.00 -0.02 0.00 1.12 0.00 0.00 29.99 30.79 1lfl n HIS 89 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1lfl h LYS 90 N -1.00 -0.04 -0.04 -0.41 1.79 -1.60 -3.40 116.57 111.87 1lfl h LYS 90 Ca -0.38 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 1lfl h LYS 90 Cb 1.27 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 1lfl h LYS 90 CO -0.23 0.09 -0.16 -0.07 -1.08 0.00 0.00 179.45 178.01 1lfl h LEU 91 N -1.01 0.21 -2.42 2.94 3.38 -1.48 -3.49 115.31 113.45 1lfl h LEU 91 Ca -0.00 -0.63 -0.27 0.00 0.09 0.00 0.00 57.88 57.07 1lfl h LEU 91 Cb 0.16 -0.06 0.19 0.00 0.09 0.00 0.00 40.66 41.03 1lfl h LEU 91 CO 0.01 0.81 -0.86 0.54 0.09 0.00 0.00 178.44 179.03 1lfl n ARG 92 N -4.60 -2.61 -3.01 1.13 1.74 0.78 -4.96 116.66 105.13 1lfl n ARG 92 Ca -0.08 0.84 -0.40 0.00 -0.77 0.00 0.00 57.85 57.44 1lfl n ARG 92 Cb 0.40 -5.73 -0.05 0.00 -1.02 0.00 0.00 32.46 26.06 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 -3.39 4.83 0.25 1.55 1.01 -1.05 -5.01 120.40 118.58 1lfl s VAL 93 Ca 0.42 1.57 -0.30 0.00 0.00 0.00 0.00 61.98 63.66 1lfl s VAL 93 Cb -0.06 -4.09 -0.11 0.00 0.00 0.00 0.00 36.38 32.12 1lfl s VAL 93 CO 0.75 0.33 1.53 -0.62 0.00 0.00 0.00 175.10 177.09 1lfl s ASP 94 N 0.18 6.53 0.32 3.32 2.15 -1.26 -4.88 116.67 123.03 1lfl s ASP 94 Ca 0.38 2.77 0.08 0.00 0.43 0.00 0.00 52.55 56.21 1lfl s ASP 94 Cb -0.20 -2.62 0.83 0.00 -0.30 0.00 0.00 42.92 40.63 1lfl s ASP 94 CO 0.21 -0.81 1.76 -0.65 -0.17 0.00 0.00 175.17 175.51 1lfl h PRO 95 N 5.37 0.64 0.00 4.34 0.11 -1.99 -1.25 132.00 139.23 1lfl h PRO 95 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1lfl h PRO 95 Cb 1.22 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1lfl h PRO 95 CO 0.82 0.43 0.16 -0.24 -0.21 0.00 0.00 178.00 178.95 1lfl h VAL 96 N 0.66 0.00 0.00 3.15 3.04 -2.03 -1.28 116.25 119.79 1lfl h VAL 96 Ca 0.61 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 66.21 1lfl h VAL 96 Cb 1.08 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.00 1lfl h VAL 96 CO -0.42 0.00 -0.43 0.78 -1.01 0.00 0.00 177.57 176.49 1lfl h ASN 97 N 0.00 0.00 -0.24 3.17 2.35 -1.59 -3.25 115.58 116.02 1lfl h ASN 97 Ca 0.00 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.64 1lfl h ASN 97 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 1lfl h ASN 97 CO 0.00 0.43 -0.21 -0.26 -1.65 0.00 0.00 177.43 175.75 1lfl h PHE 98 N 0.00 0.78 0.00 1.19 0.04 -1.41 -2.34 116.94 115.20 1lfl h PHE 98 Ca -0.00 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.53 1lfl h PHE 98 Cb 1.20 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.14 1lfl h PHE 98 CO 0.00 0.85 -0.30 1.57 -0.60 0.00 0.00 178.31 179.82 1lfl h LYS 99 N 0.61 0.00 -0.17 1.51 2.10 -1.69 -0.86 116.57 118.07 1lfl h LYS 99 Ca 0.09 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.60 1lfl h LYS 99 Cb 0.69 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.02 1lfl h LYS 99 CO 0.05 0.30 -0.46 -0.07 -2.00 0.00 0.00 179.45 177.28 1lfl h LEU 100 N 0.00 0.70 -0.38 7.07 3.38 -1.52 -2.53 115.31 122.02 1lfl h LEU 100 Ca -0.00 -0.58 -0.18 0.00 0.09 0.00 0.00 57.88 57.20 1lfl h LEU 100 Cb 0.71 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1lfl h LEU 100 CO 0.04 1.15 -0.66 0.25 0.09 0.00 0.00 178.44 179.31 1lfl h LEU 101 N 0.28 0.67 -0.51 1.67 5.85 -1.29 -3.00 115.31 118.97 1lfl h LEU 101 Ca -0.01 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.35 1lfl h LEU 101 Cb 1.07 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 1lfl h LEU 101 CO 0.10 1.15 0.27 0.28 -0.34 0.00 0.00 178.44 179.90 1lfl h SER 102 N 0.42 0.40 -0.46 1.25 0.02 -1.17 -0.03 113.55 113.97 1lfl h SER 102 Ca -0.02 0.02 0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1lfl h SER 102 Cb 1.24 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 1lfl h SER 102 CO 0.12 0.28 0.31 -0.74 -1.14 0.00 0.00 176.83 175.66 1lfl h HIS 103 N 0.53 0.56 0.00 3.45 -0.00 -1.41 -1.53 115.15 116.75 1lfl h HIS 103 Ca 0.22 0.01 -0.19 0.00 -0.00 0.00 0.00 60.37 60.42 1lfl h HIS 103 Cb 0.11 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1lfl h HIS 103 CO -0.09 0.35 -0.88 0.00 -0.00 0.00 0.00 177.93 177.30 1lfl h LEU 105 N 0.00 0.10 -0.54 0.00 -0.00 -0.06 0.11 115.31 114.92 1lfl h LEU 105 Ca -0.01 -0.09 0.08 0.00 -0.00 0.00 0.00 57.88 57.86 1lfl h LEU 105 Cb 1.59 -0.03 -0.06 0.00 -0.00 0.00 0.00 40.66 42.16 1lfl h LEU 105 CO 0.11 0.16 0.19 -0.07 -0.00 0.00 0.00 178.44 178.83 1lfl h LEU 106 N 0.04 0.17 0.29 1.67 4.07 -1.36 0.15 115.31 120.34 1lfl h LEU 106 Ca 0.03 0.07 -0.01 0.00 0.08 0.00 0.00 57.88 58.05 1lfl h LEU 106 Cb 0.08 0.06 0.00 0.00 1.08 0.00 0.00 40.66 41.88 1lfl h LEU 106 CO -0.00 0.12 -0.15 0.58 -1.08 0.00 0.00 178.44 177.91 1lfl h VAL 107 N 0.36 0.69 -0.87 1.22 2.07 -1.09 0.43 116.25 119.07 1lfl h VAL 107 Ca 0.27 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.88 1lfl h VAL 107 Cb 0.31 0.69 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1lfl h VAL 107 CO -0.28 0.00 0.51 0.74 0.02 0.00 0.00 177.57 178.57 1lfl h THR 108 N -0.40 0.94 -0.42 2.57 2.02 -0.54 -0.65 112.91 116.43 1lfl h THR 108 Ca -0.04 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.77 1lfl h THR 108 Cb 0.32 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 1lfl h THR 108 CO 0.05 0.16 -0.01 0.25 0.37 0.00 0.00 175.52 176.34 1lfl h LEU 109 N 0.87 0.74 -1.40 2.58 5.85 -0.25 -2.77 115.31 120.93 1lfl h LEU 109 Ca 0.41 -0.32 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 1lfl h LEU 109 Cb 0.34 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1lfl h LEU 109 CO -0.23 0.88 -0.30 0.00 -0.34 0.00 0.00 178.44 178.45 1lfl h ALA 110 N 0.89 1.41 0.00 1.25 0.00 0.50 -0.81 119.26 122.50 1lfl h ALA 110 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1lfl h ALA 110 Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1lfl h ALA 110 CO 0.02 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.65 1lfl n ALA 111 N -2.44 2.16 -0.01 0.00 0.00 -0.31 -3.84 120.51 116.07 1lfl n ALA 111 Ca -0.02 -0.05 0.01 0.00 0.00 0.00 0.00 53.44 53.37 1lfl n ALA 111 Cb 0.36 -1.43 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.78 0.00 -3.51 0.00 -0.00 -0.98 -4.86 115.22 104.09 1lfl n HIS 112 Ca 0.06 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.40 1lfl n HIS 112 Cb 0.33 -0.10 -0.05 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 -1.77 4.60 0.02 2.41 4.77 -0.35 -4.94 117.00 121.75 1lfl n LEU 113 Ca -0.02 -5.15 -0.12 0.00 -0.03 0.00 0.00 56.01 50.69 1lfl n LEU 113 Cb 0.24 -1.14 -0.07 0.00 -2.33 0.00 0.00 43.42 40.12 1lfl n LEU 113 CO 0.07 1.58 0.84 1.55 -1.33 0.00 0.00 177.39 180.11 1lfl h PRO 114 N 5.88 0.04 0.00 3.23 0.13 -1.87 -2.48 132.00 136.94 1lfl h PRO 114 Ca 0.17 -0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 65.17 1lfl h PRO 114 Cb 0.79 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 1lfl h PRO 114 CO 0.93 0.11 -0.61 0.00 -0.23 0.00 0.00 178.00 178.19 1lfl h ALA 115 N 0.94 0.62 0.00 -0.56 0.00 -1.96 -3.35 119.26 114.94 1lfl h ALA 115 Ca 0.01 -0.56 -0.19 0.00 0.00 0.00 0.00 54.91 54.17 1lfl h ALA 115 Cb 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1lfl h ALA 115 CO -0.00 0.77 -1.25 0.93 0.00 0.00 0.00 179.25 179.70 1lfl h GLU 116 N 0.00 0.00 -5.34 0.00 3.07 -1.97 -3.41 114.58 106.93 1lfl h GLU 116 Ca -0.01 0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.22 1lfl h GLU 116 Cb 1.44 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 29.30 1lfl h GLU 116 CO 0.08 0.47 2.25 0.34 -1.40 0.00 0.00 179.01 180.75 1lfl n PHE 117 N -3.05 4.01 -3.84 4.33 7.35 -0.93 -4.70 117.46 120.63 1lfl n PHE 117 Ca -0.08 -2.62 -0.21 0.00 -0.76 0.00 0.00 57.45 53.78 1lfl n PHE 117 Cb 0.88 -2.57 -0.02 0.00 0.35 0.00 0.00 39.48 38.12 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 5.01 5.02 0.43 -2.13 -4.23 -1.26 -4.86 115.64 113.62 1lfl s THR 118 Ca 0.55 -0.97 0.25 0.00 -1.18 0.00 0.00 61.69 60.34 1lfl s THR 118 Cb 0.06 -3.77 0.45 0.00 1.34 0.00 0.00 72.50 70.57 1lfl s THR 118 CO 0.05 -0.31 1.71 -0.65 -0.54 0.00 0.00 174.62 174.89 1lfl h PRO 119 N 1.10 0.22 0.04 3.99 0.11 -1.99 0.81 132.00 136.29 1lfl h PRO 119 Ca -0.51 -0.01 -0.24 0.00 0.11 0.00 0.00 66.00 65.35 1lfl h PRO 119 Cb 1.23 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 32.32 1lfl h PRO 119 CO 0.59 0.15 -0.98 0.00 -0.21 0.00 0.00 178.00 177.56 1lfl h ALA 120 N 1.59 0.06 -0.49 -0.75 0.00 -1.95 -2.75 119.26 114.97 1lfl h ALA 120 Ca 0.69 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1lfl h ALA 120 Cb 2.03 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.88 1lfl h ALA 120 CO -0.32 0.58 -0.15 0.28 0.00 0.00 0.00 179.25 179.64 1lfl h VAL 121 N 0.19 1.27 -0.41 0.00 2.07 -1.40 -0.79 116.25 117.17 1lfl h VAL 121 Ca -0.13 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1lfl h VAL 121 Cb 1.66 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1lfl h VAL 121 CO 0.19 0.45 0.04 -0.74 0.02 0.00 0.00 177.57 177.52 1lfl h HIS 122 N 0.83 0.66 -0.27 1.57 6.17 -0.99 0.19 115.15 123.31 1lfl h HIS 122 Ca 0.12 -0.07 -0.19 0.00 0.71 0.00 0.00 60.37 60.94 1lfl h HIS 122 Cb 0.70 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.44 1lfl h HIS 122 CO 0.04 0.61 -0.58 0.00 0.71 0.00 0.00 177.93 178.72 1lfl h ALA 123 N 1.43 0.44 -0.18 5.26 0.00 -1.17 -2.72 119.26 122.32 1lfl h ALA 123 Ca 0.13 -0.53 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1lfl h ALA 123 Cb 0.33 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1lfl h ALA 123 CO 0.01 0.68 -0.00 0.77 0.00 0.00 0.00 179.25 180.71 1lfl h SER 124 N 0.66 0.32 -0.85 0.00 0.02 -0.21 -2.75 113.55 110.74 1lfl h SER 124 Ca 0.00 -0.31 0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1lfl h SER 124 Cb 1.19 -0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1lfl h SER 124 CO 0.13 0.55 0.56 -0.07 -1.14 0.00 0.00 176.83 176.86 1lfl h LEU 125 N 0.08 0.94 -0.58 5.07 3.38 -0.70 -0.14 115.31 123.36 1lfl h LEU 125 Ca 0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1lfl h LEU 125 Cb 0.39 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1lfl h LEU 125 CO 0.01 0.66 0.38 -0.78 0.09 0.00 0.00 178.44 178.81 1lfl h ASP 126 N 1.11 0.66 -0.50 -0.43 3.58 -1.43 0.23 116.42 119.64 1lfl h ASP 126 Ca 0.33 -0.02 -0.12 0.00 0.42 0.00 0.00 57.03 57.64 1lfl h ASP 126 Cb -0.06 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.81 1lfl h ASP 126 CO -0.09 0.48 -0.14 0.11 -2.88 0.00 0.00 179.24 176.71 1lfl h LYS 127 N 0.78 1.00 0.40 0.28 1.57 -1.17 -1.56 116.57 117.87 1lfl h LYS 127 Ca 0.21 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.59 1lfl h LYS 127 Cb -0.09 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1lfl h LYS 127 CO -0.05 1.07 -0.19 0.35 -0.57 0.00 0.00 179.45 180.06 1lfl h PHE 128 N 0.88 -0.49 -0.14 -1.35 3.57 -0.31 -1.29 116.94 117.81 1lfl h PHE 128 Ca 0.13 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1lfl h PHE 128 Cb 0.71 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.60 1lfl h PHE 128 CO 0.05 -0.30 0.01 -0.07 -2.23 0.00 0.00 178.31 175.76 1lfl h LEU 129 N -0.53 0.17 -0.64 0.59 3.38 -0.55 -0.89 115.31 116.83 1lfl h LEU 129 Ca -0.05 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1lfl h LEU 129 Cb 0.41 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 1lfl h LEU 129 CO 0.09 0.20 -0.41 0.00 0.09 0.00 0.00 178.44 178.41 1lfl h ALA 130 N 1.82 0.82 -0.27 1.53 0.00 -1.01 -2.00 119.26 120.15 1lfl h ALA 130 Ca 0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.40 1lfl h ALA 130 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1lfl h ALA 130 CO 0.00 0.65 -0.27 1.03 0.00 0.00 0.00 179.25 180.66 1lfl h SER 131 N 0.49 0.71 -0.27 0.00 0.87 -0.14 -1.22 113.55 113.98 1lfl h SER 131 Ca 0.04 -0.47 0.04 0.00 -1.23 0.00 0.00 61.79 60.17 1lfl h SER 131 Cb 0.92 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 62.65 1lfl h SER 131 CO 0.08 1.03 0.06 0.58 -0.53 0.00 0.00 176.83 178.06 1lfl h VAL 132 N 0.40 0.88 -0.66 2.23 2.07 -1.11 -0.99 116.25 119.07 1lfl h VAL 132 Ca 0.04 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1lfl h VAL 132 Cb 0.83 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1lfl h VAL 132 CO 0.07 0.03 0.35 0.28 0.02 0.00 0.00 177.57 178.31 1lfl h SER 133 N 0.17 0.82 -0.68 0.57 0.02 -1.31 -1.13 113.55 112.01 1lfl h SER 133 Ca 0.12 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.97 1lfl h SER 133 Cb 0.12 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1lfl h SER 133 CO -0.16 0.68 0.31 0.74 -1.14 0.00 0.00 176.83 177.26 1lfl h THR 134 N 0.92 1.23 0.56 -2.27 2.02 -0.34 -1.84 112.91 113.21 1lfl h THR 134 Ca 0.23 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1lfl h THR 134 Cb 0.05 0.35 0.01 0.00 -1.74 0.00 0.00 68.15 66.82 1lfl h THR 134 CO -0.04 0.28 -0.27 0.58 0.37 0.00 0.00 175.52 176.45 1lfl h VAL 135 N 1.01 0.00 0.00 3.16 2.07 -0.46 -2.31 116.25 119.72 1lfl h VAL 135 Ca 0.24 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1lfl h VAL 135 Cb 0.14 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1lfl h VAL 135 CO -0.03 0.00 0.22 0.18 0.02 0.00 0.00 177.57 177.96 1lfl n LEU 136 N -5.26 0.10 -0.00 2.57 4.77 -0.50 -0.52 117.00 118.15 1lfl n LEU 136 Ca -0.09 0.39 0.06 0.00 -0.03 0.00 0.00 56.01 56.33 1lfl n LEU 136 Cb 0.30 -0.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1lfl n LEU 136 CO 0.23 -0.42 -0.29 0.41 -1.33 0.00 0.00 177.39 175.99 1lfl n THR 137 N -1.53 0.00 0.15 -5.08 -1.04 -0.70 -4.57 114.28 101.51 1lfl n THR 137 Ca -0.00 -0.24 0.16 0.00 -2.04 0.00 0.00 64.05 61.92 1lfl n THR 137 Cb 0.22 0.67 0.74 0.00 -1.82 0.00 0.00 70.33 70.14 1lfl n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1lfl h SER 138 N 0.00 0.00 -0.01 8.00 4.64 -0.22 -2.28 113.55 123.68 1lfl h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1lfl h SER 138 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 1lfl h SER 138 CO 0.00 0.00 -0.01 0.29 -0.87 0.00 0.00 176.83 176.24 1lfl n LYS 139 N -4.18 1.82 -0.26 4.77 4.76 -1.26 -4.50 118.16 119.30 1lfl n LYS 139 Ca 0.03 -1.22 0.25 0.00 -2.87 0.00 0.00 58.31 54.50 1lfl n LYS 139 Cb 0.35 -1.47 0.60 0.00 -1.84 0.00 0.00 35.03 32.67 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 2.98 0.35 0.00 2.13 0.05 -1.70 -3.46 116.97 117.32 1lfl h TYR 140 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1lfl h TYR 140 Cb 0.64 -0.10 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1lfl h TYR 140 CO 0.00 0.06 0.00 2.89 -1.05 0.00 0.00 178.16 180.06