#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mko n HIS 2 N 0.00 0.00 -2.99 1.45 -0.00 -1.26 -5.14 115.22 107.28 1mko n HIS 2 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.32 1mko n HIS 2 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.94 1mko n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1mko s LEU 3 N 0.00 4.42 1.11 0.27 1.02 -1.26 -5.06 118.68 119.19 1mko s LEU 3 Ca 0.00 1.40 -0.12 0.00 0.02 0.00 0.00 54.13 55.43 1mko s LEU 3 Cb 0.00 -3.21 0.26 0.00 0.02 0.00 0.00 46.19 43.26 1mko s LEU 3 CO 0.00 -0.01 1.05 0.42 0.02 0.00 0.00 176.35 177.83 1mko s THR 4 N 0.12 2.05 0.43 5.49 -4.23 -1.26 -4.68 115.64 113.56 1mko s THR 4 Ca 0.39 0.02 0.09 0.00 -1.18 0.00 0.00 61.69 61.00 1mko s THR 4 Cb -0.20 -2.11 0.26 0.00 1.34 0.00 0.00 72.50 71.79 1mko s THR 4 CO 0.22 -0.02 2.07 -0.65 -0.54 0.00 0.00 174.62 175.70 1mko h PRO 5 N -2.45 0.41 0.00 3.99 0.11 -1.99 -1.37 132.00 130.70 1mko h PRO 5 Ca -0.58 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.27 1mko h PRO 5 Cb 1.32 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1mko h PRO 5 CO 0.50 0.29 -0.94 0.93 -0.21 0.00 0.00 178.00 178.56 1mko h GLU 6 N 0.42 0.39 -0.60 1.05 5.08 -1.99 -2.11 114.58 116.81 1mko h GLU 6 Ca 0.11 -0.42 -0.10 0.00 -1.00 0.00 0.00 59.36 57.95 1mko h GLU 6 Cb -0.02 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1mko h GLU 6 CO -0.02 1.09 -0.01 0.93 -1.00 0.00 0.00 179.01 180.00 1mko h GLU 7 N 0.22 1.07 -0.55 2.33 5.08 -1.79 0.00 114.58 120.94 1mko h GLU 7 Ca -0.08 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.88 1mko h GLU 7 Cb 1.58 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.71 1mko h GLU 7 CO 0.16 1.05 0.11 -0.22 -1.00 0.00 0.00 179.01 179.11 1mko h LYS 8 N 0.97 0.89 0.05 2.33 3.64 -1.23 -0.14 116.57 123.08 1mko h LYS 8 Ca 0.17 -0.22 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1mko h LYS 8 Cb 0.58 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1mko h LYS 8 CO 0.03 0.85 -0.02 0.77 -2.27 0.00 0.00 179.45 178.81 1mko h SER 9 N 0.78 -0.06 -0.82 4.20 0.02 -1.13 -2.00 113.55 114.55 1mko h SER 9 Ca 0.17 -0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.12 1mko h SER 9 Cb 0.37 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 1mko h SER 9 CO 0.01 0.07 0.53 0.00 -1.14 0.00 0.00 176.83 176.30 1mko h ALA 10 N 0.76 1.76 -0.06 3.77 0.00 -0.85 0.75 119.26 125.38 1mko h ALA 10 Ca -0.01 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1mko h ALA 10 Cb 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1mko h ALA 10 CO 0.01 0.06 -0.85 0.28 0.00 0.00 0.00 179.25 178.76 1mko h VAL 11 N 0.74 1.35 -0.13 0.00 2.07 -0.75 -2.15 116.25 117.37 1mko h VAL 11 Ca 0.38 -2.21 -0.13 0.00 0.82 0.00 0.00 66.70 65.57 1mko h VAL 11 Cb 0.48 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1mko h VAL 11 CO -0.15 0.67 -0.48 0.74 0.02 0.00 0.00 177.57 178.37 1mko h THR 12 N 0.34 1.33 0.05 2.57 2.02 -0.70 -2.15 112.91 116.38 1mko h THR 12 Ca -0.06 -1.69 -0.00 0.00 0.77 0.00 0.00 66.41 65.42 1mko h THR 12 Cb 1.46 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1mko h THR 12 CO 0.16 0.51 -0.02 0.00 0.37 0.00 0.00 175.52 176.53 1mko h ALA 13 N 1.22 -0.07 -0.87 6.16 0.00 -0.80 -2.91 119.26 121.98 1mko h ALA 13 Ca 0.02 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.71 1mko h ALA 13 Cb 0.95 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1mko h ALA 13 CO 0.08 -0.20 0.57 1.25 0.00 0.00 0.00 179.25 180.95 1mko h LEU 14 N -0.75 0.81 -1.52 0.00 5.85 -1.43 -2.20 115.31 116.08 1mko h LEU 14 Ca -0.01 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.72 1mko h LEU 14 Cb 0.63 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1mko h LEU 14 CO 0.01 0.49 0.17 -0.25 -0.34 0.00 0.00 178.44 178.53 1mko h TRP 15 N 0.90 0.49 0.00 1.25 2.91 -1.31 -1.42 115.95 118.77 1mko h TRP 15 Ca 0.40 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.41 1mko h TRP 15 Cb 0.34 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 1mko h TRP 15 CO -0.00 0.36 0.00 0.41 -1.03 0.00 0.00 178.44 178.18 1mko n GLY 16 N -1.30 -0.84 0.48 2.65 0.00 -0.83 -1.37 105.19 103.98 1mko n GLY 16 Ca 0.02 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1mko n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1mko n LYS 17 N -1.87 1.21 -2.39 1.61 5.02 -0.54 -4.96 118.16 116.25 1mko n LYS 17 Ca 0.01 -0.97 -0.42 0.00 -2.02 0.00 0.00 58.31 54.90 1mko n LYS 17 Cb 0.08 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 1mko n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1mko s VAL 18 N -2.46 3.96 -0.40 -0.18 1.01 -0.47 -4.98 120.40 116.89 1mko s VAL 18 Ca 0.20 1.39 -0.29 0.00 0.00 0.00 0.00 61.98 63.28 1mko s VAL 18 Cb 0.18 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1mko s VAL 18 CO 0.55 0.08 1.41 0.21 0.00 0.00 0.00 175.10 177.36 1mko s ASN 19 N 1.19 6.37 0.31 3.32 3.84 -1.26 -4.87 114.94 123.84 1mko s ASN 19 Ca 0.59 0.89 0.25 0.00 0.21 0.00 0.00 52.86 54.81 1mko s ASN 19 Cb -0.30 -2.54 1.06 0.00 -0.55 0.00 0.00 41.25 38.92 1mko s ASN 19 CO 0.28 -1.39 1.76 1.62 -2.79 0.00 0.00 177.10 176.58 1mko h VAL 20 N 6.41 0.00 0.00 -5.21 3.04 -1.95 -1.79 116.25 116.74 1mko h VAL 20 Ca -0.28 -0.27 -0.07 0.00 -1.01 0.00 0.00 66.70 65.07 1mko h VAL 20 Cb 1.11 1.04 -0.01 0.00 -2.01 0.00 0.00 31.29 31.41 1mko h VAL 20 CO 1.08 0.00 -1.10 0.44 -1.01 0.00 0.00 177.57 176.98 1mko h ASP 21 N 0.00 0.00 0.00 3.17 3.45 -1.97 -3.43 116.42 117.64 1mko h ASP 21 Ca 0.00 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.27 1mko h ASP 21 Cb 0.38 0.00 -0.03 0.00 -0.56 0.00 0.00 39.33 39.12 1mko h ASP 21 CO 0.00 0.26 -1.65 -0.62 -1.57 0.00 0.00 179.24 175.66 1mko n GLU 22 N -2.81 0.26 -0.26 3.56 -0.58 -1.10 -4.62 120.64 115.09 1mko n GLU 22 Ca -0.04 0.10 0.04 0.00 -0.42 0.00 0.00 57.16 56.84 1mko n GLU 22 Cb 0.68 -1.01 0.14 0.00 -0.57 0.00 0.00 31.44 30.67 1mko n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1mko h VAL 23 N -0.29 0.28 -0.92 2.62 2.07 -1.60 0.15 116.25 118.56 1mko h VAL 23 Ca -0.28 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1mko h VAL 23 Cb 1.30 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1mko h VAL 23 CO -0.14 0.01 0.58 1.23 0.02 0.00 0.00 177.57 179.27 1mko h GLY 24 N 0.05 1.31 0.98 2.17 0.00 -1.82 -1.05 103.07 104.71 1mko h GLY 24 Ca 0.40 -0.52 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 1mko h GLY 24 CO -0.73 0.51 0.11 -1.33 0.00 0.00 0.00 176.54 175.10 1mko h GLY 25 N 1.25 0.86 0.88 4.60 0.00 -0.95 -0.38 103.07 109.32 1mko h GLY 25 Ca 0.33 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 1mko h GLY 25 CO -0.07 0.51 0.03 -2.09 0.00 0.00 0.00 176.54 174.92 1mko h GLU 26 N 0.68 0.50 -0.11 4.80 4.22 -0.81 -1.60 114.58 122.28 1mko h GLU 26 Ca 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 1mko h GLU 26 Cb 0.34 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.53 1mko h GLU 26 CO 0.00 0.63 0.02 0.00 -2.18 0.00 0.00 179.01 177.48 1mko h ALA 27 N 0.86 0.14 -0.29 2.92 0.00 -1.12 -1.01 119.26 120.76 1mko h ALA 27 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1mko h ALA 27 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1mko h ALA 27 CO 0.01 -0.22 0.18 1.25 0.00 0.00 0.00 179.25 180.47 1mko h LEU 28 N -0.05 0.29 -0.93 0.00 5.85 -1.05 -1.22 115.31 118.20 1mko h LEU 28 Ca 0.03 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.76 1mko h LEU 28 Cb 0.27 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1mko h LEU 28 CO 0.00 0.21 0.62 1.23 -0.34 0.00 0.00 178.44 180.16 1mko h GLY 29 N 0.36 1.31 1.32 3.75 0.00 -1.26 -2.18 103.07 106.37 1mko h GLY 29 Ca 0.11 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1mko h GLY 29 CO -0.04 0.47 0.11 3.21 0.00 0.00 0.00 176.54 180.29 1mko h ARG 30 N 1.25 0.85 -0.20 4.80 3.08 -0.79 -0.74 114.38 122.63 1mko h ARG 30 Ca 0.34 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.21 1mko h ARG 30 Cb -0.13 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.79 1mko h ARG 30 CO -0.08 0.78 0.13 1.25 -1.07 0.00 0.00 179.97 180.98 1mko h LEU 31 N 0.82 0.22 -1.05 3.04 5.85 -0.76 0.38 115.31 123.81 1mko h LEU 31 Ca 0.18 -0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1mko h LEU 31 Cb 0.33 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1mko h LEU 31 CO 0.00 0.16 0.06 -0.07 -0.34 0.00 0.00 178.44 178.25 1mko h LEU 32 N 0.26 0.70 0.03 2.25 3.38 -0.92 -0.47 115.31 120.54 1mko h LEU 32 Ca 0.08 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1mko h LEU 32 Cb -0.02 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1mko h LEU 32 CO -0.02 0.73 -0.02 0.58 0.09 0.00 0.00 178.44 179.80 1mko h VAL 33 N 0.71 1.40 -0.12 1.22 2.07 -0.97 -3.23 116.25 117.32 1mko h VAL 33 Ca 0.15 -1.63 -0.12 0.00 0.82 0.00 0.00 66.70 65.92 1mko h VAL 33 Cb 0.34 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.54 1mko h VAL 33 CO 0.01 0.40 -0.46 0.58 0.02 0.00 0.00 177.57 178.12 1mko h VAL 34 N -0.79 1.33 -2.95 2.57 2.07 -0.22 -3.36 116.25 114.89 1mko h VAL 34 Ca -0.00 -1.64 -0.61 0.00 0.82 0.00 0.00 66.70 65.26 1mko h VAL 34 Cb 0.69 1.74 -0.40 0.00 -1.52 0.00 0.00 31.29 31.79 1mko h VAL 34 CO 0.01 0.49 -0.71 -0.31 0.02 0.00 0.00 177.57 177.07 1mko s TYR 35 N -4.07 2.54 0.29 1.57 2.02 -0.19 -5.02 117.35 114.49 1mko s TYR 35 Ca -0.05 -2.83 0.04 0.00 -0.37 0.00 0.00 57.07 53.85 1mko s TYR 35 Cb 0.13 -2.12 0.65 0.00 -0.40 0.00 0.00 41.96 40.23 1mko s TYR 35 CO 0.79 -0.70 1.79 -1.35 -1.57 0.00 0.00 175.55 174.51 1mko h PRO 36 N 6.01 0.80 -0.38 -1.71 0.11 -1.71 -2.15 132.00 132.97 1mko h PRO 36 Ca 0.09 -0.05 0.11 0.00 0.11 0.00 0.00 66.00 66.26 1mko h PRO 36 Cb 0.86 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.77 1mko h PRO 36 CO 0.57 0.53 0.32 0.11 -0.21 0.00 0.00 178.00 179.32 1mko h TRP 37 N 0.82 0.00 0.00 0.65 0.09 -1.92 0.10 115.95 115.69 1mko h TRP 37 Ca 0.54 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.52 1mko h TRP 37 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.98 1mko h TRP 37 CO -0.02 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.30 1mko h THR 38 N 0.00 0.00 -0.46 0.12 1.35 -1.70 -2.31 112.91 109.91 1mko h THR 38 Ca 0.18 -0.16 0.06 0.00 -0.55 0.00 0.00 66.41 65.94 1mko h THR 38 Cb 0.82 1.13 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 1mko h THR 38 CO -0.00 0.00 0.31 1.56 -0.25 0.00 0.00 175.52 177.14 1mko h GLN 39 N 0.00 0.38 -0.58 4.72 4.20 -0.97 -2.19 115.11 120.67 1mko h GLN 39 Ca 0.00 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.86 1mko h GLN 39 Cb 0.16 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1mko h GLN 39 CO 0.00 0.25 0.44 -0.09 -0.67 0.00 0.00 178.83 178.77 1mko h ARG 40 N 0.39 0.00 0.00 1.46 2.43 -1.59 0.13 114.38 117.20 1mko h ARG 40 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1mko h ARG 40 Cb 0.29 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1mko h ARG 40 CO -0.05 0.00 0.00 0.74 -1.51 0.00 0.00 179.97 179.15 1mko h PHE 41 N 0.00 0.00 -0.01 2.20 0.04 -1.60 -3.29 116.94 114.28 1mko h PHE 41 Ca 0.28 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.05 1mko h PHE 41 Cb 1.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.31 1mko h PHE 41 CO 0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1mko n PHE 42 N -2.46 0.05 -0.41 -0.55 3.72 0.43 -4.80 117.46 113.45 1mko n PHE 42 Ca 0.04 -0.97 0.33 0.00 -0.05 0.00 0.00 57.45 56.80 1mko n PHE 42 Cb 0.39 -0.15 0.61 0.00 -0.94 0.00 0.00 39.48 39.39 1mko n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1mko h GLU 43 N 0.10 0.16 0.00 -1.08 5.08 -1.59 0.27 114.58 117.52 1mko h GLU 43 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mko h GLU 43 Cb 1.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.22 1mko h GLU 43 CO 0.01 0.10 0.00 -1.13 -1.00 0.00 0.00 179.01 176.99 1mko n SER 44 N -4.69 0.00 -0.03 1.42 3.41 -1.26 -3.45 113.62 109.02 1mko n SER 44 Ca 0.34 -0.32 0.14 0.00 -0.26 0.00 0.00 58.87 58.78 1mko n SER 44 Cb 1.29 -0.17 0.65 0.00 -0.26 0.00 0.00 64.21 65.72 1mko n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1mko n PHE 45 N -1.17 0.00 0.00 7.33 3.01 0.96 -5.03 117.46 122.56 1mko n PHE 45 Ca 0.14 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.60 1mko n PHE 45 Cb 0.14 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.30 1mko n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1mko n GLY 46 N 1.35 0.83 3.62 1.37 0.00 -1.22 -4.59 105.19 106.56 1mko n GLY 46 Ca 0.12 -1.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.09 1mko n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1mko s ASP 47 N -4.00 6.10 -0.01 1.61 2.15 -1.26 -4.73 116.67 116.53 1mko s ASP 47 Ca 0.00 1.82 0.02 0.00 0.43 0.00 0.00 52.55 54.82 1mko s ASP 47 Cb 0.00 -2.53 0.03 0.00 -0.30 0.00 0.00 42.92 40.13 1mko s ASP 47 CO 0.00 -1.45 0.81 0.18 -0.17 0.00 0.00 175.17 174.54 1mko n LEU 48 N 9.31 0.52 0.30 -1.34 4.77 -1.26 -4.08 117.00 125.22 1mko n LEU 48 Ca 0.22 -0.95 0.19 0.00 -0.03 0.00 0.00 56.01 55.44 1mko n LEU 48 Cb 0.45 -0.05 1.03 0.00 -2.33 0.00 0.00 43.42 42.51 1mko n LEU 48 CO 0.66 0.23 1.16 0.77 -1.33 0.00 0.00 177.39 178.88 1mko h SER 49 N 0.00 0.00 -5.21 -1.43 4.64 -1.92 -3.43 113.55 106.20 1mko h SER 49 Ca 0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1mko h SER 49 Cb 1.08 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.04 1mko h SER 49 CO 0.00 0.00 -0.26 0.42 -0.87 0.00 0.00 176.83 176.12 1mko s THR 50 N -4.35 0.07 0.24 2.95 -4.23 -1.26 -5.01 115.64 104.05 1mko s THR 50 Ca -0.05 -1.22 -0.05 0.00 -1.18 0.00 0.00 61.69 59.20 1mko s THR 50 Cb 0.13 -1.69 0.20 0.00 1.34 0.00 0.00 72.50 72.48 1mko s THR 50 CO 0.45 -0.32 1.78 -0.65 -0.54 0.00 0.00 174.62 175.34 1mko h PRO 51 N 2.51 0.64 -0.09 3.99 0.11 -1.97 -0.80 132.00 136.39 1mko h PRO 51 Ca -0.32 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.67 1mko h PRO 51 Cb 1.23 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1mko h PRO 51 CO 0.48 0.42 -0.33 -0.44 -0.21 0.00 0.00 178.00 177.92 1mko h ASP 52 N 0.66 0.17 -0.40 -2.05 3.32 -1.97 -1.42 116.42 114.73 1mko h ASP 52 Ca 0.39 -0.06 -0.15 0.00 0.02 0.00 0.00 57.03 57.23 1mko h ASP 52 Cb 0.44 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1mko h ASP 52 CO -0.29 0.49 -0.35 0.00 -1.72 0.00 0.00 179.24 177.37 1mko h ALA 53 N 1.52 0.60 0.38 3.45 0.00 -1.61 -0.64 119.26 122.96 1mko h ALA 53 Ca 0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1mko h ALA 53 Cb 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1mko h ALA 53 CO 0.05 0.68 -0.18 0.28 0.00 0.00 0.00 179.25 180.08 1mko h VAL 54 N 0.78 0.64 0.00 0.00 2.07 -0.85 0.24 116.25 119.13 1mko h VAL 54 Ca 0.07 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.44 1mko h VAL 54 Cb 0.94 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1mko h VAL 54 CO 0.09 0.03 -0.02 0.24 0.02 0.00 0.00 177.57 177.93 1mko h MET 55 N -0.59 0.00 -0.01 1.57 2.07 -1.21 -2.28 114.93 114.48 1mko h MET 55 Ca -0.05 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 1mko h MET 55 Cb 0.44 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.17 1mko h MET 55 CO 0.08 0.02 -0.51 0.41 1.07 0.00 0.00 176.91 177.99 1mko n GLY 56 N -1.15 -0.12 3.62 8.32 0.00 -0.25 -4.95 105.19 110.66 1mko n GLY 56 Ca -0.03 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.99 1mko n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1mko s ASN 57 N -2.36 5.99 0.48 1.61 3.84 0.80 -4.92 114.94 120.39 1mko s ASN 57 Ca 0.15 1.98 0.31 0.00 0.21 0.00 0.00 52.86 55.51 1mko s ASN 57 Cb 0.16 -2.52 1.23 0.00 -0.55 0.00 0.00 41.25 39.57 1mko s ASN 57 CO 0.56 -1.52 1.91 1.55 -2.79 0.00 0.00 177.10 176.81 1mko h PRO 58 N 12.59 0.00 -0.01 0.43 0.13 -1.89 -2.25 132.00 141.01 1mko h PRO 58 Ca -0.41 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.54 1mko h PRO 58 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1mko h PRO 58 CO 0.97 0.00 -0.83 0.87 -0.23 0.00 0.00 178.00 178.79 1mko h LYS 59 N 0.00 0.16 -0.27 0.86 1.57 -1.91 -1.67 116.57 115.31 1mko h LYS 59 Ca 0.00 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1mko h LYS 59 Cb 0.52 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1mko h LYS 59 CO 0.00 0.89 0.01 0.28 -0.57 0.00 0.00 179.45 180.06 1mko h VAL 60 N 0.09 1.25 -0.24 0.50 2.07 -1.77 -0.95 116.25 117.21 1mko h VAL 60 Ca -0.03 -0.89 0.04 0.00 0.82 0.00 0.00 66.70 66.64 1mko h VAL 60 Cb 1.43 1.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.47 1mko h VAL 60 CO 0.12 0.28 0.02 0.50 0.02 0.00 0.00 177.57 178.51 1mko h LYS 61 N 0.26 0.10 0.00 1.57 1.63 -1.30 -1.11 116.57 117.73 1mko h LYS 61 Ca 0.08 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.81 1mko h LYS 61 Cb 0.40 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.00 1mko h LYS 61 CO 0.01 0.07 -0.32 0.00 -3.45 0.00 0.00 179.45 175.76 1mko h ALA 62 N 1.19 1.44 0.00 5.00 0.00 -1.25 -2.30 119.26 123.35 1mko h ALA 62 Ca 0.11 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.59 1mko h ALA 62 Cb 0.13 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1mko h ALA 62 CO -0.17 0.40 -0.67 1.25 0.00 0.00 0.00 179.25 180.05 1mko h HIS 63 N 0.00 0.00 -0.84 0.00 -0.00 -0.69 -2.90 115.15 110.72 1mko h HIS 63 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1mko h HIS 63 Cb 0.58 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.95 1mko h HIS 63 CO 0.00 0.67 0.50 0.78 -0.00 0.00 0.00 177.93 179.89 1mko h GLY 64 N 2.46 1.22 0.41 5.26 0.00 -0.64 0.95 103.07 112.73 1mko h GLY 64 Ca -0.01 -0.51 0.09 0.00 0.00 0.00 0.00 47.33 46.91 1mko h GLY 64 CO 0.09 0.49 0.26 0.50 0.00 0.00 0.00 176.54 177.88 1mko h LYS 65 N 1.15 0.44 -0.53 4.80 1.57 -1.30 0.34 116.57 123.04 1mko h LYS 65 Ca 0.30 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.95 1mko h LYS 65 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1mko h LYS 65 CO -0.06 0.29 -0.09 0.87 -0.57 0.00 0.00 179.45 179.89 1mko h LYS 66 N 0.46 0.99 -0.23 3.15 1.57 -1.23 0.16 116.57 121.44 1mko h LYS 66 Ca 0.32 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1mko h LYS 66 Cb 0.38 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1mko h LYS 66 CO -0.30 1.02 0.08 0.28 -0.57 0.00 0.00 179.45 179.97 1mko h VAL 67 N 0.88 0.95 -0.80 0.50 2.07 0.86 -0.94 116.25 119.78 1mko h VAL 67 Ca 0.14 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.66 1mko h VAL 67 Cb 0.64 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.10 1mko h VAL 67 CO 0.04 0.04 0.48 0.25 0.02 0.00 0.00 177.57 178.40 1mko h LEU 68 N 0.19 0.74 -1.05 2.57 5.85 0.11 -0.96 115.31 122.76 1mko h LEU 68 Ca 0.10 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.01 1mko h LEU 68 Cb 0.06 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 40.86 1mko h LEU 68 CO -0.09 0.47 0.62 1.23 -0.34 0.00 0.00 178.44 180.32 1mko h GLY 69 N 0.87 1.66 1.03 3.75 0.00 0.35 0.33 103.07 111.06 1mko h GLY 69 Ca 0.35 -0.37 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 1mko h GLY 69 CO -0.18 0.02 -0.40 0.00 0.00 0.00 0.00 176.54 175.98 1mko h ALA 70 N 1.61 0.43 -0.64 3.60 0.00 0.09 -1.48 119.26 122.86 1mko h ALA 70 Ca 0.54 -0.45 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1mko h ALA 70 Cb 0.77 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1mko h ALA 70 CO -0.32 0.53 0.11 0.74 0.00 0.00 0.00 179.25 180.31 1mko h PHE 71 N 0.52 1.11 -0.92 0.00 0.04 -0.21 0.55 116.94 118.03 1mko h PHE 71 Ca 0.03 -0.15 0.08 0.00 2.80 0.00 0.00 57.97 60.73 1mko h PHE 71 Cb 0.99 -0.31 -0.07 0.00 2.20 0.00 0.00 35.95 38.77 1mko h PHE 71 CO 0.08 0.94 0.57 0.77 -0.60 0.00 0.00 178.31 180.07 1mko h SER 72 N 0.96 0.88 0.07 2.17 0.02 -0.29 0.15 113.55 117.51 1mko h SER 72 Ca 0.19 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1mko h SER 72 Cb 0.42 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1mko h SER 72 CO 0.01 0.54 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.42 1mko h ASP 73 N 1.00 -0.08 -0.84 3.07 3.58 -0.69 -0.45 116.42 122.01 1mko h ASP 73 Ca 0.42 -0.27 0.11 0.00 0.42 0.00 0.00 57.03 57.71 1mko h ASP 73 Cb 0.26 0.02 -0.06 0.00 1.72 0.00 0.00 39.33 41.27 1mko h ASP 73 CO -0.20 0.23 0.54 1.23 -2.88 0.00 0.00 179.24 178.16 1mko h GLY 74 N -0.40 1.11 0.92 -0.78 0.00 -0.22 -0.76 103.07 102.95 1mko h GLY 74 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 1mko h GLY 74 CO 0.02 0.15 0.12 -2.00 0.00 0.00 0.00 176.54 174.82 1mko h LEU 75 N 0.72 0.49 -0.37 3.11 5.85 -0.37 -2.12 115.31 122.63 1mko h LEU 75 Ca 0.40 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1mko h LEU 75 Cb 0.55 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1mko h LEU 75 CO -0.17 0.55 0.00 0.00 -0.34 0.00 0.00 178.44 178.48 1mko n ALA 76 N -2.30 1.63 -2.55 1.25 0.00 -0.21 -3.24 120.51 115.09 1mko n ALA 76 Ca -0.01 0.02 -0.16 0.00 0.00 0.00 0.00 53.44 53.29 1mko n ALA 76 Cb 0.16 -1.30 0.02 0.00 0.00 0.00 0.00 19.45 18.32 1mko n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mko n HIS 77 N -1.87 2.12 -0.04 0.00 8.25 -0.79 -4.95 115.22 117.95 1mko n HIS 77 Ca 0.03 -2.74 0.24 0.00 -0.26 0.00 0.00 57.72 54.99 1mko n HIS 77 Cb 0.19 -0.25 0.71 0.00 1.12 0.00 0.00 29.99 31.76 1mko n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1mko h LEU 78 N 2.70 0.00 -1.96 2.41 3.38 -1.40 -0.25 115.31 120.20 1mko h LEU 78 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1mko h LEU 78 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1mko h LEU 78 CO 0.60 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.60 1mko n ASP 79 N -3.90 2.92 -2.93 -0.43 8.00 -1.26 -4.41 116.55 114.55 1mko n ASP 79 Ca 0.13 -1.92 -0.13 0.00 0.71 0.00 0.00 54.79 53.58 1mko n ASP 79 Cb 0.82 -0.23 0.04 0.00 -0.02 0.00 0.00 41.12 41.73 1mko n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1mko n ASN 80 N 1.13 -0.85 0.11 -2.24 5.15 -0.11 -4.95 115.26 113.51 1mko n ASN 80 Ca 0.18 -3.34 -0.03 0.00 -0.60 0.00 0.00 54.58 50.79 1mko n ASN 80 Cb 0.51 0.73 0.09 0.00 -0.53 0.00 0.00 39.78 40.58 1mko n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1mko h LEU 81 N 2.97 0.02 -0.03 1.20 3.38 -1.75 -2.60 115.31 118.49 1mko h LEU 81 Ca -0.02 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.96 1mko h LEU 81 Cb 1.05 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1mko h LEU 81 CO 0.30 0.73 -0.08 0.11 0.09 0.00 0.00 178.44 179.59 1mko h LYS 82 N 0.01 -0.11 0.00 1.13 1.79 -1.91 -0.56 116.57 116.92 1mko h LYS 82 Ca -0.01 0.01 -0.18 0.00 -2.18 0.00 0.00 60.65 58.29 1mko h LYS 82 Cb 1.28 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.93 1mko h LYS 82 CO 0.10 -0.08 -0.84 0.78 -1.08 0.00 0.00 179.45 178.33 1mko h GLY 83 N -0.12 0.09 1.18 3.86 0.00 -1.98 -0.10 103.07 105.99 1mko h GLY 83 Ca 0.04 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1mko h GLY 83 CO -0.10 0.14 0.34 -0.84 0.00 0.00 0.00 176.54 176.08 1mko h THR 84 N 0.04 1.24 -0.29 4.70 2.02 -1.21 -3.11 112.91 116.29 1mko h THR 84 Ca -0.02 -0.68 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1mko h THR 84 Cb 1.47 0.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 1mko h THR 84 CO 0.12 0.29 0.00 0.49 0.37 0.00 0.00 175.52 176.78 1mko n PHE 85 N -4.32 0.37 -0.18 3.16 3.72 -0.24 -4.67 117.46 115.31 1mko n PHE 85 Ca 0.07 -0.22 -0.01 0.00 -0.05 0.00 0.00 57.45 57.24 1mko n PHE 85 Cb 0.15 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 38.77 1mko n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1mko h ALA 86 N 3.77 0.65 -0.43 4.37 0.00 -0.94 0.33 119.26 127.02 1mko h ALA 86 Ca 0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1mko h ALA 86 Cb 0.87 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1mko h ALA 86 CO 0.00 -0.27 -0.23 1.79 0.00 0.00 0.00 179.25 180.54 1mko h THR 87 N 0.29 1.27 -0.53 0.00 1.35 -1.83 -1.99 112.91 111.48 1mko h THR 87 Ca 0.28 -1.37 -0.05 0.00 -0.55 0.00 0.00 66.41 64.71 1mko h THR 87 Cb 0.37 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 67.95 1mko h THR 87 CO -0.33 0.47 0.11 -0.07 -0.25 0.00 0.00 175.52 175.44 1mko h LEU 88 N 0.76 0.77 -0.31 3.87 3.38 -1.58 -2.45 115.31 119.75 1mko h LEU 88 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 1mko h LEU 88 Cb 0.78 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1mko h LEU 88 CO 0.06 0.77 0.17 -1.28 0.09 0.00 0.00 178.44 178.25 1mko h SER 89 N 0.79 0.38 -0.35 -0.43 0.87 -0.09 -1.52 113.55 113.20 1mko h SER 89 Ca 0.17 -0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 1mko h SER 89 Cb 0.32 -0.10 -0.08 0.00 -0.44 0.00 0.00 62.40 62.11 1mko h SER 89 CO 0.00 0.35 -0.17 -0.08 -0.53 0.00 0.00 176.83 176.40 1mko h GLU 90 N 0.38 -0.11 0.28 2.24 4.81 -1.00 0.98 114.58 122.17 1mko h GLU 90 Ca 0.11 0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1mko h GLU 90 Cb 0.05 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.45 1mko h GLU 90 CO -0.02 -0.07 -0.18 1.25 -0.73 0.00 0.00 179.01 179.26 1mko h LEU 91 N -0.11 -0.44 -0.65 1.64 5.85 -1.23 0.20 115.31 120.56 1mko h LEU 91 Ca 0.17 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 1mko h LEU 91 Cb 0.38 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1mko h LEU 91 CO -0.42 -0.29 -0.25 0.45 -0.34 0.00 0.00 178.44 177.60 1mko h HIS 92 N -0.45 0.90 0.00 1.25 3.86 -0.89 0.11 115.15 119.93 1mko h HIS 92 Ca -0.03 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1mko h HIS 92 Cb 0.37 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 28.63 1mko h HIS 92 CO -0.09 0.95 -0.37 0.00 0.86 0.00 0.00 177.93 179.29 1mko h ASP 94 N -0.95 0.58 0.06 0.00 3.32 -0.76 -2.69 116.42 115.98 1mko h ASP 94 Ca 0.00 -0.32 -0.36 0.00 0.02 0.00 0.00 57.03 56.38 1mko h ASP 94 Cb 0.37 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 1mko h ASP 94 CO 0.00 0.76 -2.04 0.29 -1.72 0.00 0.00 179.24 176.53 1mko n LYS 95 N -4.52 0.68 0.09 3.56 5.02 -0.87 -4.58 118.16 117.54 1mko n LYS 95 Ca -0.02 0.29 0.08 0.00 -2.02 0.00 0.00 58.31 56.65 1mko n LYS 95 Cb 0.28 -1.65 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 1mko n LYS 95 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1mko h LEU 96 N -0.26 0.00 -1.93 -0.35 3.38 -0.85 -3.49 115.31 111.81 1mko h LEU 96 Ca -0.48 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.12 1mko h LEU 96 Cb 1.82 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.68 1mko h LEU 96 CO -0.07 0.16 -0.82 1.41 0.09 0.00 0.00 178.44 179.21 1mko n HIS 97 N -2.76 -2.06 -3.14 1.13 8.25 0.19 -4.95 115.22 111.89 1mko n HIS 97 Ca -0.02 0.84 -0.39 0.00 -0.26 0.00 0.00 57.72 57.89 1mko n HIS 97 Cb 0.63 -4.50 -0.05 0.00 1.12 0.00 0.00 29.99 27.19 1mko n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1mko s VAL 98 N -3.53 5.07 0.13 1.59 1.01 -0.66 -5.01 120.40 118.99 1mko s VAL 98 Ca 0.09 1.28 -0.31 0.00 0.00 0.00 0.00 61.98 63.04 1mko s VAL 98 Cb -0.02 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.32 1mko s VAL 98 CO 0.78 0.30 1.39 -0.62 0.00 0.00 0.00 175.10 176.95 1mko s ASP 99 N 0.61 6.82 0.58 3.32 2.15 -1.26 -4.80 116.67 124.09 1mko s ASP 99 Ca 0.33 2.35 0.29 0.00 0.43 0.00 0.00 52.55 55.95 1mko s ASP 99 Cb -0.17 -2.59 1.48 0.00 -0.30 0.00 0.00 42.92 41.34 1mko s ASP 99 CO 0.16 -0.65 1.91 1.55 -0.17 0.00 0.00 175.17 177.97 1mko h PRO 100 N 6.65 0.00 -0.03 4.34 0.13 -1.98 0.91 132.00 142.03 1mko h PRO 100 Ca -0.42 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.71 1mko h PRO 100 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1mko h PRO 100 CO 0.86 0.00 0.02 1.49 -0.23 0.00 0.00 178.00 180.14 1mko h GLU 101 N 0.00 0.00 0.00 0.86 4.22 -1.99 0.34 114.58 118.01 1mko h GLU 101 Ca 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.60 1mko h GLU 101 Cb 1.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1mko h GLU 101 CO -0.00 0.00 -0.30 -0.91 -2.18 0.00 0.00 179.01 175.62 1mko h ASN 102 N 0.00 0.00 -0.35 1.04 2.35 -1.17 -2.01 115.58 115.44 1mko h ASN 102 Ca 0.01 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 1mko h ASN 102 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1mko h ASN 102 CO -0.00 0.30 0.05 -0.26 -1.65 0.00 0.00 177.43 175.87 1mko h PHE 103 N 0.00 0.70 -0.17 1.19 0.04 -1.07 0.10 116.94 117.73 1mko h PHE 103 Ca -0.00 -0.07 -0.07 0.00 2.80 0.00 0.00 57.97 60.63 1mko h PHE 103 Cb 0.68 -0.20 -0.00 0.00 2.20 0.00 0.00 35.95 38.63 1mko h PHE 103 CO 0.00 0.64 -0.15 -0.09 -0.60 0.00 0.00 178.31 178.10 1mko h ARG 104 N 0.65 0.40 -0.34 1.51 2.43 -1.32 -2.40 114.38 115.31 1mko h ARG 104 Ca 0.14 -0.21 0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1mko h ARG 104 Cb 0.33 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 1mko h ARG 104 CO 0.01 0.76 0.02 -0.07 -1.51 0.00 0.00 179.97 179.18 1mko h LEU 105 N 0.04 -0.09 -0.85 3.80 3.38 -1.01 1.00 115.31 121.58 1mko h LEU 105 Ca 0.03 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1mko h LEU 105 Cb 0.68 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1mko h LEU 105 CO 0.04 -0.01 0.21 0.25 0.09 0.00 0.00 178.44 179.02 1mko h LEU 106 N 0.12 0.99 -0.48 1.67 5.85 -0.91 0.17 115.31 122.72 1mko h LEU 106 Ca 0.16 -0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 1mko h LEU 106 Cb 0.21 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1mko h LEU 106 CO -0.25 0.93 0.24 1.23 -0.34 0.00 0.00 178.44 180.25 1mko h GLY 107 N 1.08 0.74 1.32 3.75 0.00 -0.93 0.65 103.07 109.68 1mko h GLY 107 Ca 0.22 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 1mko h GLY 107 CO -0.01 0.34 0.02 3.43 0.00 0.00 0.00 176.54 180.33 1mko h ASN 108 N 0.63 0.79 0.69 0.19 -0.26 -0.07 -1.39 115.58 116.16 1mko h ASN 108 Ca 0.17 -0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.57 1mko h ASN 108 Cb 0.10 -0.21 -0.02 0.00 -1.06 0.00 0.00 38.32 37.13 1mko h ASN 108 CO -0.02 0.85 -0.70 -0.37 -1.06 0.00 0.00 177.43 176.12 1mko h VAL 109 N 0.78 1.50 -0.15 2.81 -1.51 -0.26 -2.37 116.25 117.05 1mko h VAL 109 Ca 0.15 -2.40 -0.05 0.00 -1.23 0.00 0.00 66.70 63.17 1mko h VAL 109 Cb 0.43 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 31.87 1mko h VAL 109 CO 0.02 0.69 -0.16 0.25 -1.23 0.00 0.00 177.57 177.13 1mko h LEU 110 N 0.01 0.22 -0.49 4.19 5.85 -0.40 0.36 115.31 125.05 1mko h LEU 110 Ca -0.01 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1mko h LEU 110 Cb 1.24 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1mko h LEU 110 CO 0.09 0.41 -0.04 0.58 -0.34 0.00 0.00 178.44 179.14 1mko h VAL 111 N 0.22 1.27 -0.54 1.05 2.07 -1.00 -1.35 116.25 117.97 1mko h VAL 111 Ca 0.04 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.38 1mko h VAL 111 Cb 0.42 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.18 1mko h VAL 111 CO 0.03 0.40 0.17 0.00 0.02 0.00 0.00 177.57 178.18 1mko h VAL 113 N 0.75 1.16 -0.47 0.00 2.07 -0.71 0.13 116.25 119.17 1mko h VAL 113 Ca 0.17 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.36 1mko h VAL 113 Cb 0.28 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1mko h VAL 113 CO -0.01 0.16 0.31 -0.07 0.02 0.00 0.00 177.57 177.98 1mko h LEU 114 N 0.72 0.53 -0.43 2.57 3.38 -0.96 -0.74 115.31 120.37 1mko h LEU 114 Ca 0.19 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 1mko h LEU 114 Cb -0.03 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1mko h LEU 114 CO -0.04 0.38 0.26 0.00 0.09 0.00 0.00 178.44 179.14 1mko h ALA 115 N 1.18 0.55 -0.24 1.53 0.00 -0.78 -0.83 119.26 120.66 1mko h ALA 115 Ca 0.18 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1mko h ALA 115 Cb -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1mko h ALA 115 CO -0.05 0.04 -0.01 1.25 0.00 0.00 0.00 179.25 180.48 1mko h HIS 116 N 0.57 -0.04 -0.25 0.00 -0.00 -0.08 0.17 115.15 115.53 1mko h HIS 116 Ca 0.15 0.02 -0.17 0.00 -0.00 0.00 0.00 60.37 60.38 1mko h HIS 116 Cb -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.46 1mko h HIS 116 CO -0.03 -0.05 -0.49 1.25 -0.00 0.00 0.00 177.93 178.61 1mko h HIS 117 N 0.06 0.97 -0.00 5.26 6.17 -1.01 -3.33 115.15 123.26 1mko h HIS 117 Ca 0.11 -0.35 0.00 0.00 0.71 0.00 0.00 60.37 60.84 1mko h HIS 117 Cb 0.15 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.90 1mko h HIS 117 CO -0.21 1.15 -0.49 1.19 0.71 0.00 0.00 177.93 180.29 1mko n PHE 118 N -4.11 0.00 0.00 5.26 3.72 -0.33 -5.03 117.46 116.98 1mko n PHE 118 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1mko n PHE 118 Cb 0.59 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1mko n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1mko n GLY 119 N 1.44 3.14 0.34 1.37 0.00 0.60 -2.06 105.19 110.01 1mko n GLY 119 Ca 0.08 -0.01 0.16 0.00 0.00 0.00 0.00 46.02 46.24 1mko n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1mko h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.96 0.21 116.57 120.07 1mko h LYS 120 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1mko h LYS 120 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1mko h LYS 120 CO 0.00 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.11 1mko h GLU 121 N 0.00 0.00 -4.34 1.90 5.08 -1.81 -3.27 114.58 112.14 1mko h GLU 121 Ca 0.14 0.00 -0.72 0.00 -1.00 0.00 0.00 59.36 57.78 1mko h GLU 121 Cb 0.59 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.75 1mko h GLU 121 CO -0.00 0.00 2.54 0.34 -1.00 0.00 0.00 179.01 180.89 1mko n PHE 122 N -2.96 3.77 -1.25 4.33 7.35 0.74 -4.91 117.46 124.52 1mko n PHE 122 Ca -0.01 -2.94 -0.31 0.00 -0.76 0.00 0.00 57.45 53.43 1mko n PHE 122 Cb 0.17 -2.41 0.10 0.00 0.35 0.00 0.00 39.48 37.69 1mko n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1mko s THR 123 N 2.63 3.28 0.31 -2.13 -4.23 -1.24 -4.72 115.64 109.55 1mko s THR 123 Ca 0.46 0.41 0.04 0.00 -1.18 0.00 0.00 61.69 61.43 1mko s THR 123 Cb 0.09 -2.90 0.30 0.00 1.34 0.00 0.00 72.50 71.33 1mko s THR 123 CO -0.03 -0.54 1.87 -0.65 -0.54 0.00 0.00 174.62 174.73 1mko h PRO 124 N -1.16 0.87 -0.20 3.99 0.11 -1.92 0.25 132.00 133.95 1mko h PRO 124 Ca -0.44 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.47 1mko h PRO 124 Cb 1.23 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1mko h PRO 124 CO 0.52 0.58 -0.50 -1.35 -0.21 0.00 0.00 178.00 177.03 1mko h PRO 125 N 0.90 0.53 -0.26 1.05 0.11 -1.98 -0.37 132.00 131.98 1mko h PRO 125 Ca 0.45 -0.31 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 1mko h PRO 125 Cb 0.50 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 1mko h PRO 125 CO -0.22 0.91 -0.30 0.28 -0.21 0.00 0.00 178.00 178.47 1mko h VAL 126 N 0.42 1.28 0.13 3.15 2.07 -1.58 -2.01 116.25 119.71 1mko h VAL 126 Ca 0.02 -1.38 -0.01 0.00 0.82 0.00 0.00 66.70 66.15 1mko h VAL 126 Cb 1.02 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1mko h VAL 126 CO 0.09 0.44 -0.06 -0.61 0.02 0.00 0.00 177.57 177.45 1mko h GLN 127 N 0.47 -0.17 -0.74 1.57 4.15 -0.34 -1.20 115.11 118.86 1mko h GLN 127 Ca 0.06 0.01 0.17 0.00 0.77 0.00 0.00 58.65 59.66 1mko h GLN 127 Cb 0.75 0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.44 1mko h GLN 127 CO 0.06 0.08 0.50 0.00 -1.93 0.00 0.00 178.83 177.54 1mko h ALA 128 N 0.44 2.30 -0.03 3.38 0.00 -0.87 0.20 119.26 124.68 1mko h ALA 128 Ca -0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1mko h ALA 128 Cb 0.32 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1mko h ALA 128 CO 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 179.25 178.72 1mko h ALA 129 N 1.65 0.04 -0.11 0.00 0.00 -1.02 -2.74 119.26 117.09 1mko h ALA 129 Ca 0.36 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1mko h ALA 129 Cb 1.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1mko h ALA 129 CO -0.09 -0.15 -0.16 1.88 0.00 0.00 0.00 179.25 180.74 1mko h TYR 130 N -0.44 0.18 -0.46 0.00 0.05 -0.15 -2.12 116.97 114.03 1mko h TYR 130 Ca 0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.72 1mko h TYR 130 Cb 0.60 -0.05 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1mko h TYR 130 CO 0.11 0.33 0.12 1.96 -1.05 0.00 0.00 178.16 179.63 1mko h GLN 131 N 0.16 0.69 -0.31 4.88 1.08 -0.57 -0.57 115.11 120.47 1mko h GLN 131 Ca 0.03 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.05 1mko h GLN 131 Cb 0.38 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1mko h GLN 131 CO 0.02 0.62 -0.03 0.87 -0.95 0.00 0.00 178.83 179.36 1mko h LYS 132 N 0.67 0.57 0.55 1.46 1.57 -1.08 -2.27 116.57 118.04 1mko h LYS 132 Ca 0.15 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1mko h LYS 132 Cb 0.25 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1mko h LYS 132 CO -0.00 0.73 -0.49 0.28 -0.57 0.00 0.00 179.45 179.40 1mko h VAL 133 N 0.36 0.03 -0.71 0.50 2.07 -1.04 -0.60 116.25 116.86 1mko h VAL 133 Ca 0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.71 1mko h VAL 133 Cb 0.50 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 1mko h VAL 133 CO 0.02 0.00 0.47 0.58 0.02 0.00 0.00 177.57 178.66 1mko h VAL 134 N -1.03 0.89 -0.12 2.57 2.07 -1.18 0.21 116.25 119.66 1mko h VAL 134 Ca -0.07 -0.18 -0.20 0.00 0.82 0.00 0.00 66.70 67.07 1mko h VAL 134 Cb 0.88 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1mko h VAL 134 CO -0.03 0.10 -0.74 0.00 0.02 0.00 0.00 177.57 176.91 1mko h ALA 135 N 1.65 0.47 -0.12 1.67 0.00 -1.22 -1.35 119.26 120.35 1mko h ALA 135 Ca 0.33 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1mko h ALA 135 Cb 0.58 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1mko h ALA 135 CO -0.11 0.72 -0.04 0.78 0.00 0.00 0.00 179.25 180.60 1mko h GLY 136 N 0.94 0.27 0.95 0.00 0.00 0.04 0.48 103.07 105.75 1mko h GLY 136 Ca -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.06 1mko h GLY 136 CO 0.14 0.21 -0.03 -2.08 0.00 0.00 0.00 176.54 174.77 1mko h VAL 137 N -0.08 0.92 -0.89 4.60 2.07 -0.60 -0.33 116.25 121.94 1mko h VAL 137 Ca 0.03 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.59 1mko h VAL 137 Cb 0.47 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 1mko h VAL 137 CO 0.01 0.00 0.57 0.00 0.02 0.00 0.00 177.57 178.18 1mko h ALA 138 N 0.88 1.19 -0.40 1.67 0.00 -1.21 -1.19 119.26 120.21 1mko h ALA 138 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1mko h ALA 138 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1mko h ALA 138 CO -0.01 0.40 0.06 -0.91 0.00 0.00 0.00 179.25 178.80 1mko h ASN 139 N 1.10 0.63 0.08 0.00 2.35 -0.52 -1.69 115.58 117.52 1mko h ASN 139 Ca 0.36 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1mko h ASN 139 Cb 0.05 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.25 1mko h ASN 139 CO -0.13 0.73 -0.04 0.00 -1.65 0.00 0.00 177.43 176.35 1mko h ALA 140 N 0.92 -0.10 -0.47 -0.83 0.00 -0.87 -2.07 119.26 115.84 1mko h ALA 140 Ca 0.12 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1mko h ALA 140 Cb 0.37 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1mko h ALA 140 CO 0.01 -0.52 0.41 -0.07 0.00 0.00 0.00 179.25 179.07 1mko h LEU 141 N -0.18 0.00 -0.87 0.00 3.38 -1.09 0.37 115.31 116.93 1mko h LEU 141 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1mko h LEU 141 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1mko h LEU 141 CO 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 178.44 178.42 1mko n ALA 142 N -2.49 2.81 -0.18 1.53 0.00 -0.65 -4.44 120.51 117.08 1mko n ALA 142 Ca 0.09 -0.46 -0.01 0.00 0.00 0.00 0.00 53.44 53.05 1mko n ALA 142 Cb 0.61 -1.10 0.06 0.00 0.00 0.00 0.00 19.45 19.02 1mko n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1mko h HIS 143 N 2.12 -0.17 0.00 0.00 6.17 -0.33 -0.79 115.15 122.15 1mko h HIS 143 Ca 0.00 0.05 0.00 0.00 0.71 0.00 0.00 60.37 61.13 1mko h HIS 143 Cb 0.56 0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.65 1mko h HIS 143 CO 0.00 -0.19 0.00 1.63 0.71 0.00 0.00 177.93 180.08 1mko n LYS 144 N -5.33 0.06 -0.04 5.26 4.76 -1.26 -0.70 118.16 120.91 1mko n LYS 144 Ca 0.07 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.53 1mko n LYS 144 Cb 0.30 -1.40 -0.16 0.00 -1.84 0.00 0.00 35.03 31.94 1mko n LYS 144 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1mko n TYR 145 N -0.90 0.08 1.95 2.13 4.01 -0.30 -4.85 117.16 119.28 1mko n TYR 145 Ca 0.01 0.03 0.16 0.00 -0.16 0.00 0.00 57.90 57.93 1mko n TYR 145 Cb 0.01 -0.73 0.91 0.00 -0.31 0.00 0.00 39.34 39.22 1mko n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12