#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mko s LEU 2 N 0.00 4.35 1.05 7.52 2.01 -1.26 -5.02 118.68 127.34 1mko s LEU 2 Ca 0.00 -1.42 -0.12 0.00 0.01 0.00 0.00 54.13 52.60 1mko s LEU 2 Cb 0.00 -2.45 0.20 0.00 0.01 0.00 0.00 46.19 43.95 1mko s LEU 2 CO 0.00 -1.35 0.95 -1.54 1.01 0.00 0.00 176.35 175.42 1mko n SER 3 N 7.66 -0.97 -0.12 2.29 3.41 -1.26 -4.64 113.62 120.00 1mko n SER 3 Ca 0.14 0.11 -0.05 0.00 -0.26 0.00 0.00 58.87 58.82 1mko n SER 3 Cb 0.48 -1.33 0.01 0.00 -0.26 0.00 0.00 64.21 63.12 1mko n SER 3 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 1mko h PRO 4 N -2.25 -0.04 -0.75 4.33 0.11 -2.00 -1.42 132.00 129.98 1mko h PRO 4 Ca -0.52 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1mko h PRO 4 Cb 1.31 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 1mko h PRO 4 CO 0.44 -0.02 0.49 0.00 -0.21 0.00 0.00 178.00 178.70 1mko h ALA 5 N 1.33 1.62 0.15 -0.75 0.00 -1.99 0.17 119.26 119.80 1mko h ALA 5 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1mko h ALA 5 Cb 0.33 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1mko h ALA 5 CO -0.43 0.28 -0.07 -0.44 0.00 0.00 0.00 179.25 178.58 1mko h ASP 6 N 0.85 -0.17 -0.23 0.00 3.45 -1.60 -0.41 116.42 118.31 1mko h ASP 6 Ca 0.31 -0.09 0.05 0.00 0.43 0.00 0.00 57.03 57.73 1mko h ASP 6 Cb 0.17 0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.94 1mko h ASP 6 CO -0.10 -0.01 -0.05 0.11 -1.57 0.00 0.00 179.24 177.61 1mko h LYS 7 N -0.32 0.00 -0.92 3.56 1.57 -0.90 0.26 116.57 119.82 1mko h LYS 7 Ca -0.02 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1mko h LYS 7 Cb 0.25 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.50 1mko h LYS 7 CO 0.03 0.00 0.59 1.15 -0.57 0.00 0.00 179.45 180.65 1mko h THR 8 N 0.00 1.06 -0.17 -0.16 2.02 -0.58 -1.01 112.91 114.08 1mko h THR 8 Ca 0.11 -0.37 -0.06 0.00 0.77 0.00 0.00 66.41 66.86 1mko h THR 8 Cb 0.16 -0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1mko h THR 8 CO -0.23 0.19 -0.13 0.78 0.37 0.00 0.00 175.52 176.51 1mko h ASN 9 N 1.07 0.40 0.25 4.18 2.35 -0.32 -0.71 115.58 122.80 1mko h ASN 9 Ca 0.40 -0.45 -0.01 0.00 -0.55 0.00 0.00 56.30 55.69 1mko h ASN 9 Cb 0.17 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1mko h ASN 9 CO -0.17 0.77 -0.12 0.58 -1.65 0.00 0.00 177.43 176.83 1mko h VAL 10 N 0.04 0.80 -0.96 2.81 2.07 -0.29 0.56 116.25 121.29 1mko h VAL 10 Ca 0.03 -0.46 0.13 0.00 0.82 0.00 0.00 66.70 67.23 1mko h VAL 10 Cb 0.64 1.06 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 1mko h VAL 10 CO 0.03 0.10 0.58 0.11 0.02 0.00 0.00 177.57 178.41 1mko h LYS 11 N -0.58 0.85 0.29 1.57 1.57 -1.27 0.69 116.57 119.69 1mko h LYS 11 Ca -0.03 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1mko h LYS 11 Cb 0.42 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1mko h LYS 11 CO 0.06 0.56 -0.27 0.00 -0.57 0.00 0.00 179.45 179.23 1mko h ALA 12 N 1.55 -0.58 -0.10 3.86 0.00 -0.74 -1.39 119.26 121.86 1mko h ALA 12 Ca 0.49 -0.09 -0.24 0.00 0.00 0.00 0.00 54.91 55.07 1mko h ALA 12 Cb 0.57 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1mko h ALA 12 CO -0.30 -0.85 -0.87 0.00 0.00 0.00 0.00 179.25 177.23 1mko h ALA 13 N 0.02 0.24 -0.16 0.00 0.00 0.22 -3.29 119.26 116.31 1mko h ALA 13 Ca -0.01 -0.63 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 1mko h ALA 13 Cb 0.53 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1mko h ALA 13 CO -0.04 0.68 -0.51 2.35 0.00 0.00 0.00 179.25 181.72 1mko h TRP 14 N 0.49 0.54 0.00 0.00 2.91 0.31 -2.12 115.95 118.07 1mko h TRP 14 Ca -0.08 -0.18 0.00 0.00 1.13 0.00 0.00 58.89 59.76 1mko h TRP 14 Cb 1.51 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 30.05 1mko h TRP 14 CO 0.09 0.86 0.00 0.41 -1.03 0.00 0.00 178.44 178.77 1mko n GLY 15 N 0.14 0.30 0.00 2.65 0.00 -0.53 0.29 105.19 108.04 1mko n GLY 15 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1mko n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mko n LYS 16 N 0.05 4.10 0.09 1.61 4.76 -0.80 -4.51 118.16 123.46 1mko n LYS 16 Ca 0.00 -0.12 0.02 0.00 -2.87 0.00 0.00 58.31 55.34 1mko n LYS 16 Cb 0.07 -0.57 0.39 0.00 -1.84 0.00 0.00 35.03 33.08 1mko n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1mko h VAL 17 N 0.04 1.16 0.00 -0.18 2.07 -0.22 -3.46 116.25 115.66 1mko h VAL 17 Ca 0.00 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1mko h VAL 17 Cb 0.02 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1mko h VAL 17 CO 0.00 0.22 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1mko n GLY 18 N -0.98 3.42 0.00 2.17 0.00 -1.26 -1.33 105.19 107.21 1mko n GLY 18 Ca 0.00 -0.14 0.13 0.00 0.00 0.00 0.00 46.02 46.01 1mko n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mko n ALA 19 N 11.08 2.28 1.73 4.61 0.00 -1.26 -3.43 120.51 135.52 1mko n ALA 19 Ca 0.00 -0.10 0.15 0.00 0.00 0.00 0.00 53.44 53.49 1mko n ALA 19 Cb 0.00 -1.45 0.82 0.00 0.00 0.00 0.00 19.45 18.82 1mko n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mko n HIS 20 N -1.47 0.00 -0.24 0.00 -0.00 -0.44 -4.39 115.22 108.68 1mko n HIS 20 Ca 0.08 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.84 1mko n HIS 20 Cb 0.31 -0.10 0.16 0.00 -0.00 0.00 0.00 29.99 30.36 1mko n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1mko h ALA 21 N 3.83 0.80 0.00 -1.41 0.00 -1.61 0.62 119.26 121.50 1mko h ALA 21 Ca 0.00 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1mko h ALA 21 Cb 0.17 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1mko h ALA 21 CO 0.00 -0.40 -0.60 0.78 0.00 0.00 0.00 179.25 179.03 1mko h GLY 22 N 0.15 0.00 0.68 0.00 0.00 -1.85 0.10 103.07 102.15 1mko h GLY 22 Ca 0.40 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.72 1mko h GLY 22 CO -0.60 0.00 -0.12 -2.09 0.00 0.00 0.00 176.54 173.73 1mko h GLU 23 N 0.00 -0.32 -0.27 4.80 4.81 -1.34 -0.53 114.58 121.74 1mko h GLU 23 Ca -0.01 0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1mko h GLU 23 Cb 1.28 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 1mko h GLU 23 CO 0.08 -0.00 -0.39 1.88 -0.73 0.00 0.00 179.01 179.85 1mko h TYR 24 N -0.65 0.74 -0.72 0.92 0.05 -0.99 -0.28 116.97 116.04 1mko h TYR 24 Ca -0.03 -0.21 -0.00 0.00 0.05 0.00 0.00 58.73 58.53 1mko h TYR 24 Cb 0.46 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 1mko h TYR 24 CO 0.02 0.92 0.43 0.78 -1.05 0.00 0.00 178.16 179.26 1mko h GLY 25 N 1.01 1.05 1.19 3.88 0.00 -0.80 0.91 103.07 110.31 1mko h GLY 25 Ca 0.05 -0.44 -0.22 0.00 0.00 0.00 0.00 47.33 46.71 1mko h GLY 25 CO 0.08 0.42 -0.78 0.00 0.00 0.00 0.00 176.54 176.26 1mko h ALA 26 N 1.23 0.31 -0.61 3.60 0.00 -0.77 -2.86 119.26 120.16 1mko h ALA 26 Ca 0.26 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1mko h ALA 26 Cb -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1mko h ALA 26 CO -0.05 0.69 0.34 1.49 0.00 0.00 0.00 179.25 181.71 1mko h GLU 27 N 0.54 0.84 -0.77 0.00 4.81 -0.84 0.11 114.58 119.27 1mko h GLU 27 Ca -0.05 -0.10 0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1mko h GLU 27 Cb 1.41 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.59 1mko h GLU 27 CO 0.16 0.64 0.51 0.00 -0.73 0.00 0.00 179.01 179.59 1mko h ALA 28 N 1.16 0.99 -0.40 2.92 0.00 -0.83 0.35 119.26 123.45 1mko h ALA 28 Ca 0.21 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1mko h ALA 28 Cb 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1mko h ALA 28 CO -0.04 0.37 0.16 -0.07 0.00 0.00 0.00 179.25 179.68 1mko h LEU 29 N 1.03 0.55 -0.61 0.00 3.38 -1.17 0.19 115.31 118.68 1mko h LEU 29 Ca 0.29 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1mko h LEU 29 Cb -0.09 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 1mko h LEU 29 CO -0.07 0.57 0.39 -0.08 0.09 0.00 0.00 178.44 179.34 1mko h GLU 30 N 0.50 0.81 -0.71 1.13 4.81 -0.15 0.41 114.58 121.39 1mko h GLU 30 Ca 0.13 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1mko h GLU 30 Cb 0.19 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 1mko h GLU 30 CO -0.01 0.56 0.43 0.00 -0.73 0.00 0.00 179.01 179.26 1mko h ARG 31 N 0.83 0.80 -0.09 1.92 3.08 0.29 -1.97 114.38 119.24 1mko h ARG 31 Ca 0.22 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.22 1mko h ARG 31 Cb -0.06 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 1mko h ARG 31 CO -0.05 0.53 0.03 1.98 -1.07 0.00 0.00 179.97 181.40 1mko h MET 32 N 0.83 0.14 -0.83 0.04 4.05 0.38 -2.14 114.93 117.40 1mko h MET 32 Ca 0.30 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.68 1mko h MET 32 Cb 0.08 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 1mko h MET 32 CO -0.13 0.29 0.50 0.74 0.23 0.00 0.00 176.91 178.54 1mko h PHE 33 N -0.03 1.10 -0.17 1.39 0.04 -0.61 -1.13 116.94 117.53 1mko h PHE 33 Ca 0.03 -0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1mko h PHE 33 Cb 0.21 -0.36 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1mko h PHE 33 CO -0.00 0.74 -0.03 1.25 -0.60 0.00 0.00 178.31 179.66 1mko h LEU 34 N 1.15 0.32 -0.47 1.54 5.85 -1.38 -2.82 115.31 119.49 1mko h LEU 34 Ca 0.30 -0.36 -0.16 0.00 0.84 0.00 0.00 57.88 58.50 1mko h LEU 34 Cb -0.04 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 1mko h LEU 34 CO -0.06 0.60 -0.76 0.28 -0.34 0.00 0.00 178.44 178.17 1mko h SER 35 N 0.03 0.00 -2.29 1.25 0.02 -1.26 -3.37 113.55 107.92 1mko h SER 35 Ca 0.04 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.41 1mko h SER 35 Cb 0.46 0.00 -0.39 0.00 0.14 0.00 0.00 62.40 62.61 1mko h SER 35 CO 0.01 0.76 -0.97 0.49 -1.14 0.00 0.00 176.83 175.99 1mko n PHE 36 N -3.63 -0.12 0.18 3.45 3.72 -0.44 -4.97 117.46 115.65 1mko n PHE 36 Ca -0.01 -3.53 0.08 0.00 -0.05 0.00 0.00 57.45 53.94 1mko n PHE 36 Cb 0.74 -0.07 0.40 0.00 -0.94 0.00 0.00 39.48 39.61 1mko n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1mko h PRO 37 N 4.97 0.00 -0.06 -1.08 0.13 -1.68 -0.57 132.00 133.72 1mko h PRO 37 Ca 0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.27 1mko h PRO 37 Cb 0.87 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1mko h PRO 37 CO 0.46 0.00 -0.20 1.15 -0.23 0.00 0.00 178.00 179.18 1mko h THR 38 N 0.00 1.18 -0.32 1.56 2.02 -1.91 -2.40 112.91 113.04 1mko h THR 38 Ca 0.00 -0.81 0.07 0.00 0.77 0.00 0.00 66.41 66.43 1mko h THR 38 Cb 0.61 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 1mko h THR 38 CO 0.00 0.24 0.22 0.71 0.37 0.00 0.00 175.52 177.06 1mko h THR 39 N 0.08 0.90 -0.01 3.16 1.35 -1.41 -2.50 112.91 114.49 1mko h THR 39 Ca 0.02 -0.04 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1mko h THR 39 Cb 0.41 0.77 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 1mko h THR 39 CO 0.03 0.02 0.02 0.11 -0.25 0.00 0.00 175.52 175.45 1mko h LYS 40 N 0.13 0.00 0.00 4.72 1.57 -1.62 -2.48 116.57 118.88 1mko h LYS 40 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1mko h LYS 40 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1mko h LYS 40 CO -0.02 0.00 0.00 0.25 -0.57 0.00 0.00 179.45 179.11 1mko n THR 41 N -3.28 0.81 1.22 -0.16 -2.24 -0.94 -1.80 114.28 107.89 1mko n THR 41 Ca -0.03 0.19 0.14 0.00 -2.27 0.00 0.00 64.05 62.08 1mko n THR 41 Cb 0.09 -0.95 0.64 0.00 -2.10 0.00 0.00 70.33 68.01 1mko n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1mko n TYR 42 N -1.71 0.00 -2.99 4.78 4.01 -0.93 -3.91 117.16 116.41 1mko n TYR 42 Ca 0.04 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.54 1mko n TYR 42 Cb 0.22 -0.35 -0.03 0.00 -0.31 0.00 0.00 39.34 38.87 1mko n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1mko n PHE 43 N -1.33 2.83 0.27 -0.72 3.01 -0.74 -4.92 117.46 115.85 1mko n PHE 43 Ca 0.11 -3.88 0.08 0.00 1.01 0.00 0.00 57.45 54.77 1mko n PHE 43 Cb 0.29 -0.45 0.39 0.00 -0.01 0.00 0.00 39.48 39.70 1mko n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1mko n PRO 44 N -0.10 0.10 -0.06 -1.08 -0.05 -1.25 -2.21 135.00 130.35 1mko n PRO 44 Ca 0.29 0.47 0.07 0.00 -0.05 0.00 0.00 63.50 64.28 1mko n PRO 44 Cb 0.49 -1.75 0.09 0.00 -0.05 0.00 0.00 33.50 32.28 1mko n PRO 44 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1mko n HIS 45 N -1.96 0.16 -3.23 0.54 8.25 -1.26 -4.98 115.22 112.74 1mko n HIS 45 Ca 0.01 -0.14 -0.30 0.00 -0.26 0.00 0.00 57.72 57.02 1mko n HIS 45 Cb 0.12 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.18 1mko n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1mko s PHE 46 N -1.08 3.45 -0.39 4.41 0.40 -0.94 -5.03 117.98 118.81 1mko s PHE 46 Ca 0.19 0.83 -0.18 0.00 -0.60 0.00 0.00 56.93 57.18 1mko s PHE 46 Cb 0.12 -2.25 0.01 0.00 0.51 0.00 0.00 43.02 41.41 1mko s PHE 46 CO 0.17 0.13 0.47 0.34 0.70 0.00 0.00 175.22 177.03 1mko s ASP 47 N -2.89 6.24 -0.04 1.36 -1.08 -1.26 -4.90 116.67 114.09 1mko s ASP 47 Ca 0.47 -0.37 0.20 0.00 -0.52 0.00 0.00 52.55 52.33 1mko s ASP 47 Cb -0.11 -2.24 0.64 0.00 -1.46 0.00 0.00 42.92 39.75 1mko s ASP 47 CO 0.27 -0.53 1.54 0.18 0.52 0.00 0.00 175.17 177.15 1mko n LEU 48 N 5.69 4.04 -4.55 -1.34 4.77 -1.26 -4.46 117.00 119.89 1mko n LEU 48 Ca -0.06 -2.03 -0.34 0.00 -0.03 0.00 0.00 56.01 53.55 1mko n LEU 48 Cb 0.48 -0.50 0.12 0.00 -2.33 0.00 0.00 43.42 41.18 1mko n LEU 48 CO 0.46 0.86 0.31 -1.54 -1.33 0.00 0.00 177.39 176.15 1mko n SER 49 N 1.33 -0.58 0.00 -1.43 3.41 -1.26 -4.82 113.62 110.27 1mko n SER 49 Ca 0.24 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.34 1mko n SER 49 Cb 0.69 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1mko n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1mko n HIS 50 N -3.26 0.00 0.33 7.33 -0.00 -1.26 -1.27 115.22 117.08 1mko n HIS 50 Ca 0.10 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.23 1mko n HIS 50 Cb 0.51 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 30.42 1mko n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1mko n GLY 51 N 0.00 2.63 3.51 1.57 0.00 -1.26 -4.97 105.19 106.66 1mko n GLY 51 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.32 1mko n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mko n SER 52 N 0.32 -0.03 -0.00 1.61 2.88 -0.40 -4.88 113.62 113.12 1mko n SER 52 Ca 0.12 1.02 -0.10 0.00 -1.33 0.00 0.00 58.87 58.59 1mko n SER 52 Cb 0.70 -1.18 0.05 0.00 -0.75 0.00 0.00 64.21 63.04 1mko n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1mko h ALA 53 N 1.24 0.69 -0.64 -1.46 0.00 -1.91 -2.47 119.26 114.71 1mko h ALA 53 Ca -0.39 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 1mko h ALA 53 Cb 1.38 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 1mko h ALA 53 CO 0.55 0.69 0.30 1.96 0.00 0.00 0.00 179.25 182.75 1mko h GLN 54 N 0.44 0.91 -0.18 0.00 4.20 -1.91 0.29 115.11 118.86 1mko h GLN 54 Ca 0.01 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 1mko h GLN 54 Cb 1.09 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.70 1mko h GLN 54 CO 0.10 0.71 -0.24 0.28 -0.67 0.00 0.00 178.83 179.02 1mko h VAL 55 N 0.90 1.34 -0.37 -0.54 2.07 -1.75 0.33 116.25 118.24 1mko h VAL 55 Ca 0.22 -1.44 0.05 0.00 0.82 0.00 0.00 66.70 66.36 1mko h VAL 55 Cb 0.11 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1mko h VAL 55 CO -0.03 0.43 0.09 0.11 0.02 0.00 0.00 177.57 178.19 1mko h LYS 56 N 0.13 0.21 0.90 1.57 1.57 -1.10 0.86 116.57 120.70 1mko h LYS 56 Ca 0.02 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1mko h LYS 56 Cb 0.80 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1mko h LYS 56 CO 0.06 0.14 -0.50 0.78 -0.57 0.00 0.00 179.45 179.36 1mko h GLY 57 N 0.22 -1.39 1.97 3.86 0.00 -0.29 -1.84 103.07 105.59 1mko h GLY 57 Ca 0.18 0.55 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1mko h GLY 57 CO -0.22 -0.48 0.01 0.84 0.00 0.00 0.00 176.54 176.69 1mko h HIS 58 N -1.28 0.00 -0.07 5.60 -0.00 0.06 -1.62 115.15 117.83 1mko h HIS 58 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1mko h HIS 58 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.42 1mko h HIS 58 CO -0.06 0.00 0.04 0.78 -0.00 0.00 0.00 177.93 178.69 1mko h GLY 59 N 0.00 0.10 0.28 5.26 0.00 0.16 -1.94 103.07 106.93 1mko h GLY 59 Ca 0.00 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 47.32 1mko h GLY 59 CO -0.00 0.04 -0.35 0.50 0.00 0.00 0.00 176.54 176.72 1mko h LYS 60 N 0.07 -0.51 -0.39 4.80 1.79 -0.80 -0.77 116.57 120.76 1mko h LYS 60 Ca 0.02 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.61 1mko h LYS 60 Cb 0.02 0.12 -0.08 0.00 -1.58 0.00 0.00 32.23 30.70 1mko h LYS 60 CO -0.00 -0.34 -0.15 0.87 -1.08 0.00 0.00 179.45 178.74 1mko h LYS 61 N -0.53 -0.07 -0.39 3.15 1.57 -1.39 -0.16 116.57 118.75 1mko h LYS 61 Ca 0.05 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1mko h LYS 61 Cb 0.60 0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.87 1mko h LYS 61 CO -0.27 -0.05 0.09 0.28 -0.57 0.00 0.00 179.45 178.93 1mko h VAL 62 N -0.07 0.81 -0.73 0.50 2.07 -0.82 -0.97 116.25 117.04 1mko h VAL 62 Ca 0.19 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1mko h VAL 62 Cb 0.37 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.63 1mko h VAL 62 CO -0.44 0.04 0.31 0.00 0.02 0.00 0.00 177.57 177.50 1mko h ALA 63 N 1.29 1.01 -0.04 1.67 0.00 0.15 -1.91 119.26 121.43 1mko h ALA 63 Ca 0.18 0.09 -0.19 0.00 0.00 0.00 0.00 54.91 55.00 1mko h ALA 63 Cb 0.21 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1mko h ALA 63 CO -0.23 -0.16 -0.78 -0.44 0.00 0.00 0.00 179.25 177.63 1mko h ASP 64 N 0.49 0.40 0.28 0.00 3.32 -0.46 -1.75 116.42 118.70 1mko h ASP 64 Ca 0.39 -0.28 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 1mko h ASP 64 Cb 0.53 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.95 1mko h ASP 64 CO -0.36 1.03 -0.17 0.00 -1.72 0.00 0.00 179.24 178.03 1mko h ALA 65 N 0.95 1.48 -0.01 3.45 0.00 -0.46 -1.76 119.26 122.91 1mko h ALA 65 Ca -0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1mko h ALA 65 Cb 1.37 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.14 1mko h ALA 65 CO 0.13 0.22 -0.43 -0.07 0.00 0.00 0.00 179.25 179.09 1mko h LEU 66 N 0.00 0.39 -0.87 0.00 3.38 -0.85 -2.48 115.31 114.88 1mko h LEU 66 Ca -0.00 -0.76 0.08 0.00 0.09 0.00 0.00 57.88 57.29 1mko h LEU 66 Cb 0.36 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1mko h LEU 66 CO 0.02 1.10 0.53 0.74 0.09 0.00 0.00 178.44 180.92 1mko h THR 67 N -0.28 0.98 0.00 0.22 2.02 -1.01 0.26 112.91 115.10 1mko h THR 67 Ca -0.05 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.76 1mko h THR 67 Cb 1.16 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 1mko h THR 67 CO 0.09 0.17 -0.26 -1.13 0.37 0.00 0.00 175.52 174.75 1mko h ASN 68 N 0.92 0.00 0.34 4.18 -1.24 -1.38 -2.35 115.58 116.04 1mko h ASN 68 Ca 0.40 0.00 -0.17 0.00 0.71 0.00 0.00 56.30 57.24 1mko h ASN 68 Cb 0.27 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.31 1mko h ASN 68 CO -0.21 0.26 -0.69 0.00 -1.29 0.00 0.00 177.43 175.50 1mko h ALA 69 N 1.74 0.70 0.14 1.57 0.00 -0.09 -3.24 119.26 120.07 1mko h ALA 69 Ca -0.00 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1mko h ALA 69 Cb 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1mko h ALA 69 CO 0.03 0.77 -0.07 0.28 0.00 0.00 0.00 179.25 180.27 1mko h VAL 70 N 0.22 0.00 0.00 0.00 2.07 -0.60 -1.70 116.25 116.24 1mko h VAL 70 Ca -0.02 -0.00 -0.49 0.00 0.82 0.00 0.00 66.70 67.01 1mko h VAL 70 Cb 1.24 0.00 0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1mko h VAL 70 CO 0.11 0.00 2.84 0.00 0.02 0.00 0.00 177.57 180.55 1mko n ALA 71 N -2.09 5.11 0.00 1.67 0.00 -0.93 -0.61 120.51 123.67 1mko n ALA 71 Ca -0.02 -2.59 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1mko n ALA 71 Cb 0.07 -3.20 0.00 0.00 0.00 0.00 0.00 19.45 16.33 1mko n ALA 71 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mko n HIS 72 N 4.67 0.00 -0.31 0.00 -0.00 -1.19 -4.86 115.22 113.54 1mko n HIS 72 Ca 0.52 0.00 0.17 0.00 -0.00 0.00 0.00 57.72 58.41 1mko n HIS 72 Cb 0.20 0.00 0.35 0.00 -0.00 0.00 0.00 29.99 30.54 1mko n HIS 72 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.34 176.10 1mko h VAL 73 N 0.00 0.26 0.00 1.59 3.04 0.11 1.43 116.25 122.69 1mko h VAL 73 Ca 0.00 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1mko h VAL 73 Cb 0.00 0.04 0.00 0.00 -2.01 0.00 0.00 31.29 29.32 1mko h VAL 73 CO 0.00 0.04 0.00 0.47 -1.01 0.00 0.00 177.57 177.07 1mko n ASP 74 N -5.22 0.00 -2.22 3.17 9.92 -1.26 -3.58 116.55 117.36 1mko n ASP 74 Ca 0.25 0.02 -0.01 0.00 -0.53 0.00 0.00 54.79 54.53 1mko n ASP 74 Cb 0.80 -0.31 0.05 0.00 -0.64 0.00 0.00 41.12 41.01 1mko n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1mko n ASP 75 N -1.31 0.32 -0.25 -2.24 -0.08 0.25 -4.93 116.55 108.32 1mko n ASP 75 Ca 0.10 -2.06 0.03 0.00 -1.51 0.00 0.00 54.79 51.35 1mko n ASP 75 Cb 0.19 -0.04 0.16 0.00 2.34 0.00 0.00 41.12 43.77 1mko n ASP 75 CO 0.00 0.00 0.00 0.24 0.12 0.00 0.00 177.20 177.56 1mko h MET 76 N 1.47 0.48 -0.10 -0.67 2.86 0.15 0.21 114.93 119.33 1mko h MET 76 Ca -0.30 -0.03 0.03 0.00 -2.06 0.00 0.00 59.70 57.34 1mko h MET 76 Cb 1.44 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.99 1mko h MET 76 CO 0.00 0.32 0.70 -1.35 1.06 0.00 0.00 176.91 177.64 1mko h PRO 77 N 0.49 0.00 0.02 -0.22 0.11 -1.90 -1.02 132.00 129.49 1mko h PRO 77 Ca 0.38 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.12 1mko h PRO 77 Cb 0.50 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.56 1mko h PRO 77 CO -0.34 0.00 -2.07 0.09 -0.21 0.00 0.00 178.00 175.47 1mko n ASN 78 N -2.80 1.96 -0.34 -2.05 3.02 0.73 -3.38 115.26 112.40 1mko n ASN 78 Ca 0.01 0.26 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1mko n ASN 78 Cb 0.75 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 1mko n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mko n ALA 79 N -3.62 1.65 -1.69 5.41 0.00 -0.41 -2.60 120.51 119.25 1mko n ALA 79 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1mko n ALA 79 Cb 0.87 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.32 1mko n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1mko n LEU 80 N 0.05 0.00 -0.35 0.00 4.77 -1.08 -4.85 117.00 115.55 1mko n LEU 80 Ca 0.00 -0.47 0.13 0.00 -0.03 0.00 0.00 56.01 55.64 1mko n LEU 80 Cb 0.06 0.00 0.33 0.00 -2.33 0.00 0.00 43.42 41.48 1mko n LEU 80 CO 0.00 0.39 1.20 -1.28 -1.33 0.00 0.00 177.39 176.37 1mko h SER 81 N 0.00 0.78 -0.55 -1.43 0.87 -1.51 -2.11 113.55 109.60 1mko h SER 81 Ca 0.00 0.09 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1mko h SER 81 Cb 1.04 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.93 1mko h SER 81 CO 0.00 0.29 -0.10 0.00 -0.53 0.00 0.00 176.83 176.48 1mko h ALA 82 N 1.64 0.77 -0.06 6.23 0.00 -1.92 -2.86 119.26 123.07 1mko h ALA 82 Ca 0.57 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1mko h ALA 82 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1mko h ALA 82 CO -0.36 0.67 -0.33 -0.07 0.00 0.00 0.00 179.25 179.16 1mko h LEU 83 N 0.92 0.11 -0.39 0.00 3.38 -1.77 -1.76 115.31 115.80 1mko h LEU 83 Ca 0.14 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1mko h LEU 83 Cb 0.67 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.39 1mko h LEU 83 CO 0.05 0.44 -0.64 -1.28 0.09 0.00 0.00 178.44 177.09 1mko h SER 84 N 0.09 0.68 -0.20 -0.43 0.87 -1.38 0.42 113.55 113.61 1mko h SER 84 Ca 0.01 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 60.06 1mko h SER 84 Cb 0.64 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1mko h SER 84 CO 0.05 1.15 -0.23 0.44 -0.53 0.00 0.00 176.83 177.70 1mko h ASP 85 N 0.44 0.67 0.37 6.23 3.32 -1.34 -0.27 116.42 125.84 1mko h ASP 85 Ca -0.01 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 56.78 1mko h ASP 85 Cb 1.22 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.59 1mko h ASP 85 CO 0.12 0.89 -0.18 0.25 -1.72 0.00 0.00 179.24 178.60 1mko h LEU 86 N 0.58 -0.42 -0.21 1.55 5.85 -1.01 -0.62 115.31 121.03 1mko h LEU 86 Ca 0.08 -0.14 -0.21 0.00 0.84 0.00 0.00 57.88 58.45 1mko h LEU 86 Cb 0.71 0.11 0.01 0.00 0.37 0.00 0.00 40.66 41.86 1mko h LEU 86 CO 0.05 -0.02 -0.68 0.45 -0.34 0.00 0.00 178.44 177.91 1mko h HIS 87 N -0.92 1.09 0.00 1.25 3.86 -0.12 -0.67 115.15 119.63 1mko h HIS 87 Ca -0.05 -0.44 -0.04 0.00 -1.16 0.00 0.00 60.37 58.67 1mko h HIS 87 Cb 0.54 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1mko h HIS 87 CO 0.03 1.28 -0.50 0.00 0.86 0.00 0.00 177.93 179.60 1mko h ALA 88 N 0.60 0.05 0.49 2.45 0.00 -1.12 -1.57 119.26 120.16 1mko h ALA 88 Ca -0.03 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.33 1mko h ALA 88 Cb 1.31 0.40 0.00 0.00 0.00 0.00 0.00 17.79 19.51 1mko h ALA 88 CO 0.15 0.40 -0.23 1.25 0.00 0.00 0.00 179.25 180.81 1mko h HIS 89 N -1.00 -0.61 0.14 0.00 -0.00 -1.53 -2.98 115.15 109.17 1mko h HIS 89 Ca -0.06 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 1mko h HIS 89 Cb 0.58 0.20 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 1mko h HIS 89 CO -0.08 -0.29 -0.07 -0.22 -0.00 0.00 0.00 177.93 177.27 1mko h LYS 90 N -1.04 -0.18 0.00 5.26 3.64 -1.15 -3.38 116.57 119.72 1mko h LYS 90 Ca -0.07 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1mko h LYS 90 Cb 0.59 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1mko h LYS 90 CO 0.11 0.13 -0.23 1.28 -2.27 0.00 0.00 179.45 178.47 1mko n LEU 91 N -4.88 0.24 -3.97 5.20 4.77 -0.26 -4.98 117.00 113.12 1mko n LEU 91 Ca -0.05 0.28 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 1mko n LEU 91 Cb 0.20 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1mko n LEU 91 CO 0.16 0.05 -0.03 0.54 -1.33 0.00 0.00 177.39 176.78 1mko n ARG 92 N -1.52 -4.35 -2.19 3.23 5.12 -0.95 -4.89 116.66 111.11 1mko n ARG 92 Ca 0.06 0.50 -0.43 0.00 -1.93 0.00 0.00 57.85 56.06 1mko n ARG 92 Cb 0.34 -5.13 -0.02 0.00 -1.16 0.00 0.00 32.46 26.48 1mko n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1mko s VAL 93 N -3.50 3.80 0.11 1.55 1.01 -0.63 -4.92 120.40 117.82 1mko s VAL 93 Ca 0.44 0.91 -0.35 0.00 0.00 0.00 0.00 61.98 62.98 1mko s VAL 93 Cb -0.23 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 1mko s VAL 93 CO 0.87 -0.33 1.57 -0.67 0.00 0.00 0.00 175.10 176.53 1mko n ASP 94 N 8.22 2.84 -0.26 3.32 -0.08 -1.26 -4.84 116.55 124.48 1mko n ASP 94 Ca 0.18 1.08 0.31 0.00 -1.51 0.00 0.00 54.79 54.85 1mko n ASP 94 Cb 0.45 -1.37 0.71 0.00 2.34 0.00 0.00 41.12 43.26 1mko n ASP 94 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1mko h PRO 95 N 6.01 0.04 0.00 -0.67 0.13 -2.00 -1.38 132.00 134.13 1mko h PRO 95 Ca -0.46 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1mko h PRO 95 Cb 1.27 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1mko h PRO 95 CO 0.87 0.03 -0.00 -0.24 -0.23 0.00 0.00 178.00 178.43 1mko h VAL 96 N 0.05 0.67 -0.14 1.56 3.04 -2.02 -2.14 116.25 117.27 1mko h VAL 96 Ca 0.51 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 66.15 1mko h VAL 96 Cb 1.96 1.01 -0.01 0.00 -2.01 0.00 0.00 31.29 32.23 1mko h VAL 96 CO -0.04 0.00 -0.10 0.78 -1.01 0.00 0.00 177.57 177.21 1mko h ASN 97 N 0.00 0.20 0.44 3.17 2.35 -1.60 -2.22 115.58 117.93 1mko h ASN 97 Ca -0.00 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1mko h ASN 97 Cb 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 1mko h ASN 97 CO 0.00 0.33 -0.28 -0.26 -1.65 0.00 0.00 177.43 175.57 1mko h PHE 98 N 0.21 0.00 -0.08 1.19 -1.00 -1.57 -1.68 116.94 114.01 1mko h PHE 98 Ca 0.05 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.68 1mko h PHE 98 Cb 0.31 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 1mko h PHE 98 CO 0.00 0.28 -0.59 0.87 -1.61 0.00 0.00 178.31 177.27 1mko h LYS 99 N 0.00 0.26 -0.07 1.51 1.57 -1.50 -0.16 116.57 118.18 1mko h LYS 99 Ca -0.00 -0.17 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1mko h LYS 99 Cb 0.58 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1mko h LYS 99 CO 0.04 0.77 -0.30 -0.07 -0.57 0.00 0.00 179.45 179.31 1mko h LEU 100 N 0.19 0.38 -0.45 2.94 3.38 -1.23 -1.52 115.31 119.01 1mko h LEU 100 Ca -0.00 -0.65 -0.13 0.00 0.09 0.00 0.00 57.88 57.18 1mko h LEU 100 Cb 1.08 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 1mko h LEU 100 CO 0.09 0.97 -0.25 0.25 0.09 0.00 0.00 178.44 179.59 1mko h LEU 101 N -0.18 1.00 -1.10 1.67 5.85 -1.37 -0.81 115.31 120.37 1mko h LEU 101 Ca -0.02 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.33 1mko h LEU 101 Cb 0.95 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.65 1mko h LEU 101 CO 0.06 1.19 0.61 0.28 -0.34 0.00 0.00 178.44 180.24 1mko h SER 102 N 0.80 1.00 -0.38 1.25 0.02 -1.02 0.32 113.55 115.54 1mko h SER 102 Ca 0.10 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.93 1mko h SER 102 Cb 0.83 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1mko h SER 102 CO 0.07 0.68 -0.17 -0.74 -1.14 0.00 0.00 176.83 175.53 1mko h HIS 103 N 1.15 0.96 -0.19 3.45 -0.00 -0.99 -1.69 115.15 117.84 1mko h HIS 103 Ca 0.38 -0.20 -0.11 0.00 -0.00 0.00 0.00 60.37 60.43 1mko h HIS 103 Cb 0.04 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1mko h HIS 103 CO -0.00 0.95 -0.36 0.00 -0.00 0.00 0.00 177.93 178.52 1mko h LEU 105 N 0.35 0.38 -0.26 0.00 -0.00 -0.18 -0.31 115.31 115.29 1mko h LEU 105 Ca 0.04 -0.23 0.05 0.00 -0.00 0.00 0.00 57.88 57.74 1mko h LEU 105 Cb 0.80 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.31 1mko h LEU 105 CO 0.06 0.51 -0.07 -0.07 -0.00 0.00 0.00 178.44 178.88 1mko h LEU 106 N 0.22 -0.25 -0.23 1.67 3.38 -1.01 -0.93 115.31 118.17 1mko h LEU 106 Ca 0.08 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.17 1mko h LEU 106 Cb 0.29 0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1mko h LEU 106 CO 0.00 -0.09 -0.02 0.58 0.09 0.00 0.00 178.44 179.00 1mko h VAL 107 N -0.00 0.81 -0.80 1.22 2.07 -1.04 0.24 116.25 118.75 1mko h VAL 107 Ca 0.12 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1mko h VAL 107 Cb 0.19 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 1mko h VAL 107 CO -0.27 0.01 0.46 0.74 0.02 0.00 0.00 177.57 178.53 1mko h THR 108 N 0.04 0.94 -0.31 2.57 2.02 -0.57 0.23 112.91 117.83 1mko h THR 108 Ca 0.11 -0.27 -0.13 0.00 0.77 0.00 0.00 66.41 66.89 1mko h THR 108 Cb 0.15 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1mko h THR 108 CO -0.20 0.15 -0.33 -0.07 0.37 0.00 0.00 175.52 175.44 1mko h LEU 109 N 0.80 0.71 -0.35 2.58 4.07 -0.48 -1.83 115.31 120.80 1mko h LEU 109 Ca 0.37 -0.29 -0.19 0.00 0.08 0.00 0.00 57.88 57.86 1mko h LEU 109 Cb 0.29 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 1mko h LEU 109 CO -0.22 0.98 -0.61 0.00 -1.08 0.00 0.00 178.44 177.51 1mko h ALA 110 N 1.06 0.52 0.00 1.53 0.00 0.25 0.50 119.26 123.13 1mko h ALA 110 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1mko h ALA 110 Cb 0.84 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1mko h ALA 110 CO 0.07 0.69 0.00 0.00 0.00 0.00 0.00 179.25 180.02 1mko h ALA 111 N 0.78 1.00 0.00 0.00 0.00 -0.45 -3.25 119.26 117.34 1mko h ALA 111 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.70 1mko h ALA 111 Cb 1.20 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1mko h ALA 111 CO 0.12 0.00 -1.78 0.72 0.00 0.00 0.00 179.25 178.31 1mko n HIS 112 N -2.75 0.00 -3.13 0.00 -0.00 -0.70 -4.81 115.22 103.83 1mko n HIS 112 Ca 0.01 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1mko n HIS 112 Cb 0.27 -0.54 -0.06 0.00 -0.00 0.00 0.00 29.99 29.66 1mko n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1mko n LEU 113 N -2.71 4.20 -0.30 2.41 4.77 0.17 -4.95 117.00 120.59 1mko n LEU 113 Ca -0.22 -5.59 -0.08 0.00 -0.03 0.00 0.00 56.01 50.09 1mko n LEU 113 Cb 0.80 -0.60 -0.04 0.00 -2.33 0.00 0.00 43.42 41.26 1mko n LEU 113 CO 0.18 2.24 0.55 1.55 -1.33 0.00 0.00 177.39 180.58 1mko h PRO 114 N 3.44 -0.12 0.00 3.23 0.13 -1.75 -0.35 132.00 136.59 1mko h PRO 114 Ca 0.16 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1mko h PRO 114 Cb 0.56 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1mko h PRO 114 CO 0.83 -0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.51 1mko n ALA 115 N -3.25 1.37 -0.04 -0.56 0.00 -1.26 -1.57 120.51 115.20 1mko n ALA 115 Ca 0.04 0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 1mko n ALA 115 Cb 0.34 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.38 1mko n ALA 115 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1mko n GLU 116 N -1.98 0.69 -0.90 0.00 4.07 -0.24 -4.51 120.64 117.76 1mko n GLU 116 Ca 0.01 0.21 -0.27 0.00 -0.06 0.00 0.00 57.16 57.06 1mko n GLU 116 Cb 0.12 -1.68 -0.02 0.00 -0.06 0.00 0.00 31.44 29.80 1mko n GLU 116 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1mko n PHE 117 N -3.17 1.63 -2.53 4.31 7.35 -0.60 -4.70 117.46 119.76 1mko n PHE 117 Ca -0.29 -2.27 -0.28 0.00 -0.76 0.00 0.00 57.45 53.86 1mko n PHE 117 Cb 1.06 -1.90 0.01 0.00 0.35 0.00 0.00 39.48 39.00 1mko n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mko s THR 118 N 3.00 4.68 0.26 -2.13 -4.23 -1.26 -4.73 115.64 111.23 1mko s THR 118 Ca 0.49 0.23 -0.03 0.00 -1.18 0.00 0.00 61.69 61.19 1mko s THR 118 Cb 0.13 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.46 1mko s THR 118 CO -0.04 -0.81 1.64 -0.65 -0.54 0.00 0.00 174.62 174.22 1mko h PRO 119 N 0.11 0.15 -0.23 3.99 0.11 -1.97 1.69 132.00 135.85 1mko h PRO 119 Ca -0.46 -0.01 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 1mko h PRO 119 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1mko h PRO 119 CO 0.61 0.10 -0.45 0.00 -0.21 0.00 0.00 178.00 178.05 1mko h ALA 120 N 1.73 0.79 -0.01 -0.75 0.00 -1.95 -1.20 119.26 117.87 1mko h ALA 120 Ca 0.47 -0.47 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 1mko h ALA 120 Cb 0.87 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.57 1mko h ALA 120 CO -0.65 0.66 -0.97 0.28 0.00 0.00 0.00 179.25 178.57 1mko h VAL 121 N 0.46 1.35 -0.31 0.00 2.07 -1.41 -1.97 116.25 116.44 1mko h VAL 121 Ca 0.03 -2.34 0.02 0.00 0.82 0.00 0.00 66.70 65.23 1mko h VAL 121 Cb 0.97 2.37 -0.03 0.00 -1.52 0.00 0.00 31.29 33.09 1mko h VAL 121 CO 0.09 0.71 0.14 -0.74 0.02 0.00 0.00 177.57 177.79 1mko h HIS 122 N 0.31 0.26 -0.85 1.57 6.17 0.26 -0.65 115.15 122.21 1mko h HIS 122 Ca -0.10 0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.05 1mko h HIS 122 Cb 1.61 -0.07 -0.06 0.00 2.52 0.00 0.00 27.41 31.41 1mko h HIS 122 CO 0.08 0.13 0.54 0.00 0.71 0.00 0.00 177.93 179.39 1mko h ALA 123 N 1.17 1.15 -0.06 5.26 0.00 -1.11 -0.43 119.26 125.24 1mko h ALA 123 Ca 0.13 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.79 1mko h ALA 123 Cb 0.06 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.60 1mko h ALA 123 CO -0.10 0.33 -0.88 0.77 0.00 0.00 0.00 179.25 179.36 1mko h SER 124 N 1.01 0.74 0.20 0.00 0.02 -1.04 -1.84 113.55 112.64 1mko h SER 124 Ca 0.36 -0.54 -0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1mko h SER 124 Cb 0.09 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1mko h SER 124 CO -0.15 1.32 -0.10 -0.07 -1.14 0.00 0.00 176.83 176.70 1mko h LEU 125 N 0.37 -0.23 -0.90 5.07 4.07 -0.74 -0.24 115.31 122.71 1mko h LEU 125 Ca -0.08 -0.03 0.08 0.00 0.08 0.00 0.00 57.88 57.94 1mko h LEU 125 Cb 1.51 0.06 -0.07 0.00 1.08 0.00 0.00 40.66 43.24 1mko h LEU 125 CO 0.17 -0.12 0.55 -0.78 -1.08 0.00 0.00 178.44 177.18 1mko h ASP 126 N -0.31 0.85 0.29 -0.43 3.58 -1.12 0.75 116.42 120.03 1mko h ASP 126 Ca -0.03 0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 1mko h ASP 126 Cb 0.24 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1mko h ASP 126 CO 0.04 0.51 -0.24 0.50 -2.88 0.00 0.00 179.24 177.18 1mko h LYS 127 N 0.97 0.00 0.32 0.28 3.64 -0.53 -1.47 116.57 119.78 1mko h LYS 127 Ca 0.41 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.77 1mko h LYS 127 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1mko h LYS 127 CO -0.21 0.24 -0.16 0.35 -2.27 0.00 0.00 179.45 177.41 1mko h PHE 128 N 0.00 -0.40 -1.01 1.91 3.57 0.82 -2.31 116.94 119.52 1mko h PHE 128 Ca -0.00 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 61.72 1mko h PHE 128 Cb 0.45 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 39.20 1mko h PHE 128 CO 0.00 -0.25 0.61 -0.07 -2.23 0.00 0.00 178.31 176.37 1mko h LEU 129 N -0.96 0.69 -0.66 0.59 3.38 -0.99 0.36 115.31 117.72 1mko h LEU 129 Ca -0.04 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.07 1mko h LEU 129 Cb 0.33 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 1mko h LEU 129 CO 0.07 0.15 0.42 0.00 0.09 0.00 0.00 178.44 179.17 1mko h ALA 130 N 1.70 0.86 -0.43 1.53 0.00 -1.26 0.13 119.26 121.79 1mko h ALA 130 Ca 0.62 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.38 1mko h ALA 130 Cb 1.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1mko h ALA 130 CO -0.44 0.19 -0.26 0.77 0.00 0.00 0.00 179.25 179.52 1mko h SER 131 N 0.83 0.93 -0.41 0.00 0.02 0.21 0.03 113.55 115.16 1mko h SER 131 Ca 0.26 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 1mko h SER 131 Cb -0.00 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1mko h SER 131 CO -0.10 1.13 0.26 0.58 -1.14 0.00 0.00 176.83 177.56 1mko h VAL 132 N 0.77 1.13 -0.74 2.27 2.07 -0.65 -1.69 116.25 119.40 1mko h VAL 132 Ca 0.09 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1mko h VAL 132 Cb 0.82 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1mko h VAL 132 CO 0.07 0.13 0.37 0.28 0.02 0.00 0.00 177.57 178.44 1mko h SER 133 N 0.55 0.96 -0.40 0.57 0.02 -0.49 0.01 113.55 114.77 1mko h SER 133 Ca 0.15 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 61.02 1mko h SER 133 Cb -0.02 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1mko h SER 133 CO -0.03 0.81 0.17 0.74 -1.14 0.00 0.00 176.83 177.38 1mko h THR 134 N 1.03 0.93 -0.26 -2.27 2.02 -0.59 -1.93 112.91 111.85 1mko h THR 134 Ca 0.26 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1mko h THR 134 Cb 0.10 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 1mko h THR 134 CO -0.03 0.06 0.12 0.58 0.37 0.00 0.00 175.52 176.62 1mko h VAL 135 N 0.35 1.15 0.00 3.16 2.07 -0.94 -2.51 116.25 119.53 1mko h VAL 135 Ca 0.18 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1mko h VAL 135 Cb 0.13 0.97 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1mko h VAL 135 CO -0.16 0.15 0.00 -0.07 0.02 0.00 0.00 177.57 177.52 1mko h LEU 136 N 0.28 0.00 -2.36 2.57 3.38 -0.54 -0.77 115.31 117.88 1mko h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1mko h LEU 136 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mko h LEU 136 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1mko n THR 137 N -2.45 0.61 -1.35 0.22 -2.24 -0.77 -3.73 114.28 104.56 1mko n THR 137 Ca -0.01 -0.80 -0.33 0.00 -2.27 0.00 0.00 64.05 60.64 1mko n THR 137 Cb 0.10 0.83 0.10 0.00 -2.10 0.00 0.00 70.33 69.25 1mko n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1mko s SER 138 N -1.12 4.21 -0.06 3.42 0.01 -0.30 -4.97 113.70 114.88 1mko s SER 138 Ca 0.27 2.18 -0.00 0.00 1.31 0.00 0.00 55.95 59.71 1mko s SER 138 Cb 0.16 -2.57 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1mko s SER 138 CO 0.21 -2.24 -0.03 -0.54 0.41 0.00 0.00 173.24 171.05 1mko s LYS 139 N -4.20 0.83 0.00 12.44 1.02 -1.26 -4.88 119.74 123.69 1mko s LYS 139 Ca 0.70 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1mko s LYS 139 Cb -0.25 -0.99 0.00 0.00 -0.52 0.00 0.00 37.83 36.07 1mko s LYS 139 CO 0.48 -0.20 0.00 2.48 -0.92 0.00 0.00 175.35 177.19 1mko n TYR 140 N 4.62 0.00 0.85 3.18 4.11 -1.26 -5.24 117.16 123.43 1mko n TYR 140 Ca -0.16 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 57.81 1mko n TYR 140 Cb 0.50 0.00 0.40 0.00 -0.00 0.00 0.00 39.34 40.25 1mko n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40