#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qss s LEU 2 N 0.00 4.38 0.94 7.52 1.43 -1.26 -5.01 118.68 126.67 2qss s LEU 2 Ca 0.00 2.61 -0.12 0.00 -1.03 0.00 0.00 54.13 55.59 2qss s LEU 2 Cb 0.00 -3.60 0.15 0.00 0.03 0.00 0.00 46.19 42.77 2qss s LEU 2 CO 0.00 -0.76 1.10 -0.94 0.23 0.00 0.00 176.35 175.98 2qss s SER 3 N 0.82 3.17 0.23 2.29 1.04 -1.26 -4.79 113.70 115.20 2qss s SER 3 Ca 0.65 1.27 -0.06 0.00 0.48 0.00 0.00 55.95 58.29 2qss s SER 3 Cb -0.42 -1.94 0.39 0.00 0.10 0.00 0.00 66.02 64.15 2qss s SER 3 CO 0.36 -2.80 1.74 0.00 0.98 0.00 0.00 173.24 173.52 2qss h ALA 4 N -1.66 0.98 -0.55 5.32 0.00 -1.99 -0.68 119.26 120.68 2qss h ALA 4 Ca -0.52 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 2qss h ALA 4 Cb 1.31 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2qss h ALA 4 CO 0.57 -0.17 0.22 0.00 0.00 0.00 0.00 179.25 179.87 2qss h ALA 5 N 1.50 0.71 -0.54 0.00 0.00 -1.99 -0.72 119.26 118.21 2qss h ALA 5 Ca 0.38 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qss h ALA 5 Cb 0.52 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2qss h ALA 5 CO -0.36 0.32 0.35 -0.44 0.00 0.00 0.00 179.25 179.12 2qss h ASP 6 N 0.75 0.64 -0.74 0.00 3.32 -1.83 -0.84 116.42 117.72 2qss h ASP 6 Ca 0.18 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.14 2qss h ASP 6 Cb 0.19 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2qss h ASP 6 CO -0.02 0.48 0.22 0.11 -1.72 0.00 0.00 179.24 178.32 2qss h LYS 7 N 0.73 1.16 -0.25 3.56 1.57 -0.75 -0.29 116.57 122.31 2qss h LYS 7 Ca 0.20 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 2qss h LYS 7 Cb -0.05 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 2qss h LYS 7 CO -0.04 0.99 0.11 0.78 -0.57 0.00 0.00 179.45 180.72 2qss h GLY 8 N 1.11 0.32 1.00 3.86 0.00 -0.76 -1.25 103.07 107.36 2qss h GLY 8 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2qss h GLY 8 CO -0.01 0.06 0.31 3.43 0.00 0.00 0.00 176.54 180.33 2qss h ASN 9 N 0.24 0.88 -0.24 0.19 -0.26 -0.73 -0.80 115.58 114.87 2qss h ASN 9 Ca 0.10 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.66 2qss h ASN 9 Cb 0.04 -0.23 -0.01 0.00 -1.06 0.00 0.00 38.32 37.06 2qss h ASN 9 CO -0.08 0.77 0.01 0.58 -1.06 0.00 0.00 177.43 177.65 2qss h VAL 10 N 0.92 1.25 -0.69 2.81 2.07 -0.91 -1.27 116.25 120.42 2qss h VAL 10 Ca 0.23 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 2qss h VAL 10 Cb 0.14 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2qss h VAL 10 CO -0.03 0.27 0.16 0.11 0.02 0.00 0.00 177.57 178.11 2qss h LYS 11 N 0.19 1.12 -0.22 1.57 1.57 -1.07 -0.47 116.57 119.26 2qss h LYS 11 Ca 0.07 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.54 2qss h LYS 11 Cb 0.40 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2qss h LYS 11 CO 0.01 0.99 0.02 0.00 -0.57 0.00 0.00 179.45 179.90 2qss h ALA 12 N 1.08 0.29 -0.38 3.86 0.00 -1.09 -1.37 119.26 121.66 2qss h ALA 12 Ca 0.22 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2qss h ALA 12 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2qss h ALA 12 CO 0.00 -0.01 0.19 0.00 0.00 0.00 0.00 179.25 179.43 2qss h ALA 13 N 0.82 0.48 0.00 0.00 0.00 -1.14 -2.01 119.26 117.41 2qss h ALA 13 Ca 0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 2qss h ALA 13 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qss h ALA 13 CO 0.01 0.04 -0.29 2.35 0.00 0.00 0.00 179.25 181.36 2qss h TRP 14 N 0.47 0.00 -0.76 0.00 2.91 -1.03 -1.28 115.95 116.27 2qss h TRP 14 Ca 0.13 0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.16 2qss h TRP 14 Cb 0.11 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.72 2qss h TRP 14 CO -0.02 0.29 0.50 0.78 -1.03 0.00 0.00 178.44 178.97 2qss h GLY 15 N 0.95 1.07 1.83 2.65 0.00 -0.77 -1.89 103.07 106.92 2qss h GLY 15 Ca -0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2qss h GLY 15 CO 0.04 0.39 -0.27 0.50 0.00 0.00 0.00 176.54 177.20 2qss h LYS 16 N 1.03 0.20 -0.21 4.80 1.79 -0.58 -2.58 116.57 121.02 2qss h LYS 16 Ca 0.28 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.67 2qss h LYS 16 Cb -0.12 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 2qss h LYS 16 CO -0.06 0.46 0.09 0.28 -1.08 0.00 0.00 179.45 179.14 2qss h VAL 17 N 0.18 1.16 0.00 0.50 2.07 -0.85 -3.47 116.25 115.84 2qss h VAL 17 Ca 0.03 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2qss h VAL 17 Cb 0.58 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2qss h VAL 17 CO 0.04 0.15 0.00 0.61 0.02 0.00 0.00 177.57 178.40 2qss n GLY 18 N -0.74 3.28 0.00 2.17 0.00 -0.75 -1.25 105.19 107.91 2qss n GLY 18 Ca -0.04 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.91 2qss n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qss n GLY 19 N 0.00 -0.56 0.64 -0.02 0.00 -1.26 -2.99 105.19 101.00 2qss n GLY 19 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.02 2qss n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qss n HIS 20 N -1.03 0.25 -0.10 1.61 8.25 -0.38 -4.51 115.22 119.30 2qss n HIS 20 Ca 0.12 -0.12 -0.05 0.00 -0.26 0.00 0.00 57.72 57.40 2qss n HIS 20 Cb 0.07 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.19 2qss n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qss h ALA 21 N 4.12 0.27 -0.43 -1.41 0.00 -1.67 -0.94 119.26 119.19 2qss h ALA 21 Ca 0.00 0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2qss h ALA 21 Cb 0.56 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 2qss h ALA 21 CO 0.00 -0.44 0.27 0.00 0.00 0.00 0.00 179.25 179.09 2qss h ALA 22 N 1.34 0.55 -0.47 0.00 0.00 -1.85 0.36 119.26 119.19 2qss h ALA 22 Ca 0.17 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.12 2qss h ALA 22 Cb 0.26 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 2qss h ALA 22 CO -0.34 -0.03 0.19 0.93 0.00 0.00 0.00 179.25 180.00 2qss h GLU 23 N 0.55 0.37 -0.19 0.00 5.08 -1.73 -1.56 114.58 117.10 2qss h GLU 23 Ca 0.17 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.37 2qss h GLU 23 Cb -0.03 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 2qss h GLU 23 CO -0.06 0.25 -0.44 1.88 -1.00 0.00 0.00 179.01 179.63 2qss h TYR 24 N 0.38 0.56 -0.68 4.33 0.05 -0.75 -1.64 116.97 119.23 2qss h TYR 24 Ca 0.22 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.77 2qss h TYR 24 Cb 0.19 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 2qss h TYR 24 CO -0.14 0.83 0.18 0.78 -1.05 0.00 0.00 178.16 178.77 2qss h GLY 25 N 1.13 1.16 0.96 3.88 0.00 -0.52 0.46 103.07 110.13 2qss h GLY 25 Ca 0.03 -0.71 -0.02 0.00 0.00 0.00 0.00 47.33 46.63 2qss h GLY 25 CO 0.08 0.66 0.21 0.00 0.00 0.00 0.00 176.54 177.49 2qss h ALA 26 N 1.08 0.60 -0.59 3.60 0.00 -1.11 -1.19 119.26 121.65 2qss h ALA 26 Ca 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qss h ALA 26 Cb 0.34 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2qss h ALA 26 CO -0.00 0.18 0.29 1.49 0.00 0.00 0.00 179.25 181.21 2qss h GLU 27 N 0.61 0.84 -0.40 0.00 4.81 -1.05 -1.20 114.58 118.19 2qss h GLU 27 Ca 0.16 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2qss h GLU 27 Cb 0.15 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2qss h GLU 27 CO -0.02 0.67 0.16 0.00 -0.73 0.00 0.00 179.01 179.10 2qss h ALA 28 N 1.12 0.52 -0.68 2.92 0.00 -0.66 -0.05 119.26 122.43 2qss h ALA 28 Ca 0.20 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.04 2qss h ALA 28 Cb 0.11 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 2qss h ALA 28 CO -0.03 0.12 0.37 -0.07 0.00 0.00 0.00 179.25 179.65 2qss h LEU 29 N 0.50 0.54 -0.43 0.00 3.38 -1.08 0.27 115.31 118.50 2qss h LEU 29 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2qss h LEU 29 Cb 0.19 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 2qss h LEU 29 CO -0.01 0.35 0.28 -0.08 0.09 0.00 0.00 178.44 179.06 2qss h GLU 30 N 0.68 0.57 -0.62 1.13 4.81 -0.55 -0.03 114.58 120.58 2qss h GLU 30 Ca 0.31 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 2qss h GLU 30 Cb 0.22 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2qss h GLU 30 CO -0.20 0.39 0.10 0.00 -0.73 0.00 0.00 179.01 178.58 2qss h ARG 31 N 0.58 1.00 -0.03 1.92 3.08 -0.72 -0.85 114.38 119.35 2qss h ARG 31 Ca 0.16 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2qss h ARG 31 Cb -0.05 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.88 2qss h ARG 31 CO -0.03 0.93 0.02 1.98 -1.07 0.00 0.00 179.97 181.79 2qss h MET 32 N 0.94 0.05 -0.57 0.04 4.05 -0.33 -0.75 114.93 118.37 2qss h MET 32 Ca 0.19 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.56 2qss h MET 32 Cb 0.41 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 2qss h MET 32 CO 0.01 0.14 0.18 0.74 0.23 0.00 0.00 176.91 178.21 2qss h PHE 33 N -0.05 0.86 0.14 1.39 0.04 -0.74 0.83 116.94 119.41 2qss h PHE 33 Ca 0.01 -0.06 -0.25 0.00 2.80 0.00 0.00 57.97 60.47 2qss h PHE 33 Cb 0.11 -0.26 0.03 0.00 2.20 0.00 0.00 35.95 38.03 2qss h PHE 33 CO -0.04 0.69 -1.08 -0.07 -0.60 0.00 0.00 178.31 177.22 2qss h LEU 34 N 0.82 0.70 -0.39 1.54 3.38 -1.06 -3.13 115.31 117.17 2qss h LEU 34 Ca 0.19 -0.88 -0.17 0.00 0.09 0.00 0.00 57.88 57.11 2qss h LEU 34 Cb 0.23 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2qss h LEU 34 CO -0.01 1.52 -0.81 0.28 0.09 0.00 0.00 178.44 179.51 2qss h SER 35 N -0.01 0.07 -2.29 -0.43 0.02 -1.08 -3.39 113.55 106.44 2qss h SER 35 Ca -0.18 -0.06 -0.58 0.00 -0.84 0.00 0.00 61.79 60.13 2qss h SER 35 Cb 1.81 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 63.93 2qss h SER 35 CO 0.20 0.84 -0.93 0.49 -1.14 0.00 0.00 176.83 176.30 2qss n PHE 36 N -3.62 0.34 0.28 3.45 3.72 0.28 -5.00 117.46 116.91 2qss n PHE 36 Ca -0.01 -3.63 0.16 0.00 -0.05 0.00 0.00 57.45 53.92 2qss n PHE 36 Cb 0.77 -0.18 0.93 0.00 -0.94 0.00 0.00 39.48 40.06 2qss n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2qss h PRO 37 N 4.80 0.00 0.00 -1.08 0.11 -1.73 -0.86 132.00 133.23 2qss h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2qss h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 2qss h PRO 37 CO 0.50 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.23 2qss h THR 38 N 0.00 0.47 0.00 -1.15 1.03 -1.92 -1.36 112.91 109.98 2qss h THR 38 Ca 0.02 -0.33 -0.01 0.00 -0.01 0.00 0.00 66.41 66.09 2qss h THR 38 Cb 0.13 1.22 -0.00 0.00 -1.07 0.00 0.00 68.15 68.43 2qss h THR 38 CO -0.00 0.07 -0.03 0.71 -0.01 0.00 0.00 175.52 176.25 2qss h THR 39 N 0.00 0.45 0.00 0.00 1.35 -1.47 -1.29 112.91 111.95 2qss h THR 39 Ca -0.00 -0.16 -0.01 0.00 -0.55 0.00 0.00 66.41 65.69 2qss h THR 39 Cb 0.21 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2qss h THR 39 CO 0.01 0.03 -0.04 0.11 -0.25 0.00 0.00 175.52 175.38 2qss h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.42 -2.80 116.57 118.64 2qss h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qss h LYS 40 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2qss h LYS 40 CO 0.00 0.04 0.00 1.79 -0.57 0.00 0.00 179.45 180.72 2qss h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.39 -1.05 112.91 111.66 2qss h THR 41 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 2qss h THR 41 Cb 0.10 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2qss h THR 41 CO 0.01 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.06 2qss n TYR 42 N -2.41 0.26 -2.71 4.73 4.01 -1.06 -3.98 117.16 116.00 2qss n TYR 42 Ca 0.02 0.09 -0.24 0.00 -0.16 0.00 0.00 57.90 57.61 2qss n TYR 42 Cb 0.23 -0.65 -0.01 0.00 -0.31 0.00 0.00 39.34 38.60 2qss n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qss n PHE 43 N -1.73 3.00 0.27 -0.72 3.01 -0.40 -4.95 117.46 115.94 2qss n PHE 43 Ca 0.05 -3.41 0.11 0.00 1.01 0.00 0.00 57.45 55.21 2qss n PHE 43 Cb 0.27 -0.28 0.75 0.00 -0.01 0.00 0.00 39.48 40.20 2qss n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2qss h PRO 44 N 2.80 0.00 -0.30 -1.08 0.13 -1.69 -2.08 132.00 129.78 2qss h PRO 44 Ca 0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.27 2qss h PRO 44 Cb 0.83 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.94 2qss h PRO 44 CO 0.76 0.04 0.01 0.72 -0.23 0.00 0.00 178.00 179.29 2qss n HIS 45 N -4.12 1.04 -3.31 1.56 8.25 -1.26 -4.93 115.22 112.44 2qss n HIS 45 Ca -0.03 -0.99 -0.36 0.00 -0.26 0.00 0.00 57.72 56.08 2qss n HIS 45 Cb 0.12 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 30.82 2qss n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2qss s PHE 46 N -2.90 3.67 -0.19 4.41 0.40 -0.78 -5.06 117.98 117.52 2qss s PHE 46 Ca 0.43 1.15 -0.26 0.00 -0.60 0.00 0.00 56.93 57.65 2qss s PHE 46 Cb 0.36 -2.43 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 2qss s PHE 46 CO 0.08 0.47 0.89 0.34 0.70 0.00 0.00 175.22 177.70 2qss s ASP 47 N -1.52 6.98 -0.04 1.36 -1.08 -1.26 -4.93 116.67 116.18 2qss s ASP 47 Ca 0.35 1.21 0.12 0.00 -0.52 0.00 0.00 52.55 53.72 2qss s ASP 47 Cb -0.16 -2.48 0.37 0.00 -1.46 0.00 0.00 42.92 39.19 2qss s ASP 47 CO 0.19 -0.48 1.30 0.18 0.52 0.00 0.00 175.17 176.88 2qss n LEU 48 N 5.60 3.19 -4.73 -1.34 4.77 -1.26 -4.43 117.00 118.80 2qss n LEU 48 Ca 0.07 -2.21 -0.33 0.00 -0.03 0.00 0.00 56.01 53.50 2qss n LEU 48 Cb 0.48 -0.31 0.10 0.00 -2.33 0.00 0.00 43.42 41.36 2qss n LEU 48 CO 0.49 0.73 0.75 -0.94 -1.33 0.00 0.00 177.39 177.09 2qss s SER 49 N -1.18 4.17 0.18 -1.43 1.04 -1.26 -4.89 113.70 110.33 2qss s SER 49 Ca 0.28 2.20 -0.33 0.00 0.48 0.00 0.00 55.95 58.58 2qss s SER 49 Cb 0.17 -2.57 -0.15 0.00 0.10 0.00 0.00 66.02 63.58 2qss s SER 49 CO 0.15 -2.27 1.39 1.57 0.98 0.00 0.00 173.24 175.06 2qss n HIS 50 N -3.03 1.90 -0.68 5.02 -0.00 -1.26 -1.45 115.22 115.72 2qss n HIS 50 Ca 0.12 0.48 0.00 0.00 0.46 0.00 0.00 57.72 58.78 2qss n HIS 50 Cb 0.51 -2.42 0.00 0.00 -0.12 0.00 0.00 29.99 27.96 2qss n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qss n GLY 51 N 2.51 1.20 3.67 1.57 0.00 -1.26 -5.01 105.19 107.87 2qss n GLY 51 Ca 0.15 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 2qss n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qss n SER 52 N 0.00 2.91 0.27 1.61 2.88 -0.53 -4.87 113.62 115.88 2qss n SER 52 Ca 0.00 1.12 0.12 0.00 -1.33 0.00 0.00 58.87 58.78 2qss n SER 52 Cb 0.00 -1.43 0.75 0.00 -0.75 0.00 0.00 64.21 62.78 2qss n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qss h ALA 53 N 4.84 1.43 -0.28 -1.46 0.00 -1.91 -1.86 119.26 120.02 2qss h ALA 53 Ca -0.45 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.20 2qss h ALA 53 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2qss h ALA 53 CO 0.80 0.11 -0.53 1.96 0.00 0.00 0.00 179.25 181.59 2qss h GLN 54 N 0.00 0.86 -0.38 0.00 4.20 -1.89 0.18 115.11 118.07 2qss h GLN 54 Ca -0.00 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 2qss h GLN 54 Cb 0.23 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2qss h GLN 54 CO 0.01 1.18 0.17 0.28 -0.67 0.00 0.00 178.83 179.80 2qss h VAL 55 N 0.64 1.18 -0.33 -0.54 2.07 -1.65 -0.38 116.25 117.23 2qss h VAL 55 Ca 0.01 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.01 2qss h VAL 55 Cb 1.14 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2qss h VAL 55 CO 0.12 0.19 0.21 0.50 0.02 0.00 0.00 177.57 178.62 2qss h LYS 56 N 0.47 0.42 -0.52 1.57 3.64 -1.27 0.81 116.57 121.70 2qss h LYS 56 Ca 0.13 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2qss h LYS 56 Cb 0.15 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2qss h LYS 56 CO -0.01 0.28 0.14 0.78 -2.27 0.00 0.00 179.45 178.36 2qss h GLY 57 N 0.43 0.88 1.50 5.01 0.00 -0.60 -2.14 103.07 108.15 2qss h GLY 57 Ca 0.12 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.77 2qss h GLY 57 CO -0.04 0.50 -0.47 0.84 0.00 0.00 0.00 176.54 177.38 2qss h HIS 58 N 0.71 0.66 -0.94 5.60 -0.00 -0.92 -2.77 115.15 117.49 2qss h HIS 58 Ca 0.16 -0.21 0.07 0.00 -0.00 0.00 0.00 60.37 60.40 2qss h HIS 58 Cb 0.31 -0.13 -0.07 0.00 -0.00 0.00 0.00 27.41 27.52 2qss h HIS 58 CO 0.02 0.91 0.59 0.78 -0.00 0.00 0.00 177.93 180.23 2qss h GLY 59 N 1.07 1.44 1.08 5.26 0.00 -0.57 -0.31 103.07 111.03 2qss h GLY 59 Ca 0.03 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 46.84 2qss h GLY 59 CO 0.09 0.27 0.04 0.00 0.00 0.00 0.00 176.54 176.94 2qss h ALA 60 N 1.45 0.86 -0.20 3.60 0.00 -1.15 -1.43 119.26 122.38 2qss h ALA 60 Ca 0.42 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2qss h ALA 60 Cb 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2qss h ALA 60 CO -0.19 0.68 -0.08 0.87 0.00 0.00 0.00 179.25 180.53 2qss h LYS 61 N 1.01 0.40 -0.45 0.00 1.57 -1.12 -0.61 116.57 117.38 2qss h LYS 61 Ca 0.19 -0.17 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2qss h LYS 61 Cb 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.78 2qss h LYS 61 CO 0.02 0.68 0.25 0.28 -0.57 0.00 0.00 179.45 180.11 2qss h VAL 62 N 0.11 1.01 -0.69 0.50 2.07 -0.98 -1.84 116.25 116.43 2qss h VAL 62 Ca 0.05 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 2qss h VAL 62 Cb 0.55 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2qss h VAL 62 CO 0.02 0.09 0.38 0.00 0.02 0.00 0.00 177.57 178.09 2qss h ALA 63 N 1.21 0.89 -0.94 1.67 0.00 -1.19 -0.90 119.26 120.01 2qss h ALA 63 Ca 0.18 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.03 2qss h ALA 63 Cb 0.05 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 2qss h ALA 63 CO -0.10 0.40 0.60 0.00 0.00 0.00 0.00 179.25 180.15 2qss h ALA 64 N 1.19 1.25 -0.42 0.00 0.00 -0.89 0.13 119.26 120.53 2qss h ALA 64 Ca 0.24 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 2qss h ALA 64 Cb 0.03 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 2qss h ALA 64 CO -0.04 0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 2qss h ALA 65 N 1.40 1.09 -0.40 0.00 0.00 -0.79 -0.73 119.26 119.83 2qss h ALA 65 Ca 0.38 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 2qss h ALA 65 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2qss h ALA 65 CO -0.14 0.57 -0.19 -0.07 0.00 0.00 0.00 179.25 179.42 2qss h LEU 66 N 0.67 0.86 -0.57 0.00 3.38 -0.42 -1.30 115.31 117.92 2qss h LEU 66 Ca 0.12 -0.40 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2qss h LEU 66 Cb 0.51 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2qss h LEU 66 CO 0.03 1.07 0.37 0.74 0.09 0.00 0.00 178.44 180.74 2qss h THR 67 N 0.65 1.11 -0.69 0.22 2.02 -0.52 0.20 112.91 115.90 2qss h THR 67 Ca 0.09 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 67.10 2qss h THR 67 Cb 0.74 0.31 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 2qss h THR 67 CO 0.06 0.13 0.36 0.50 0.37 0.00 0.00 175.52 176.94 2qss h LYS 68 N 0.74 0.61 -0.52 6.66 3.64 -0.97 -1.78 116.57 124.94 2qss h LYS 68 Ca 0.22 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.52 2qss h LYS 68 Cb -0.04 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 2qss h LYS 68 CO -0.07 0.40 0.15 0.00 -2.27 0.00 0.00 179.45 177.66 2qss h ALA 69 N 1.40 0.69 -0.44 5.00 0.00 -0.52 -2.23 119.26 123.15 2qss h ALA 69 Ca 0.33 -0.20 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2qss h ALA 69 Cb 0.30 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2qss h ALA 69 CO -0.24 0.37 0.30 0.28 0.00 0.00 0.00 179.25 179.96 2qss h VAL 70 N 0.73 1.04 0.00 0.00 2.07 -0.56 -0.59 116.25 118.94 2qss h VAL 70 Ca 0.17 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2qss h VAL 70 Cb 0.31 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 2qss h VAL 70 CO -0.00 0.09 0.00 -0.62 0.02 0.00 0.00 177.57 177.06 2qss n GLU 71 N -4.48 0.13 -2.57 1.57 1.02 -0.71 -4.18 120.64 111.43 2qss n GLU 71 Ca 0.05 0.13 -0.15 0.00 -0.02 0.00 0.00 57.16 57.17 2qss n GLU 71 Cb 0.15 -1.66 0.02 0.00 -0.02 0.00 0.00 31.44 29.93 2qss n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qss n HIS 72 N -1.88 2.05 0.25 -0.32 8.25 -0.25 -4.92 115.22 118.40 2qss n HIS 72 Ca 0.06 -2.78 0.12 0.00 -0.26 0.00 0.00 57.72 54.85 2qss n HIS 72 Cb 0.37 -0.26 0.62 0.00 1.12 0.00 0.00 29.99 31.84 2qss n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qss h LEU 73 N 2.75 0.00 -0.01 2.41 3.38 -1.67 -1.64 115.31 120.53 2qss h LEU 73 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2qss h LEU 73 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2qss h LEU 73 CO 0.60 0.17 -0.01 0.47 0.09 0.00 0.00 178.44 179.76 2qss n ASP 74 N -3.54 0.02 -2.87 -0.43 8.00 -1.26 -4.20 116.55 112.27 2qss n ASP 74 Ca -0.01 -0.28 -0.12 0.00 0.71 0.00 0.00 54.79 55.09 2qss n ASP 74 Cb 0.31 -0.24 0.05 0.00 -0.02 0.00 0.00 41.12 41.23 2qss n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qss n ASP 75 N -1.23 -1.42 -0.09 -2.24 2.03 -0.63 -4.98 116.55 107.98 2qss n ASP 75 Ca 0.16 -3.47 -0.10 0.00 0.52 0.00 0.00 54.79 51.90 2qss n ASP 75 Cb 0.22 1.16 -0.02 0.00 -0.72 0.00 0.00 41.12 41.76 2qss n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qss h LEU 76 N 3.07 0.39 -0.72 -2.67 3.38 -1.69 -2.15 115.31 114.92 2qss h LEU 76 Ca -0.04 -0.11 0.14 0.00 0.09 0.00 0.00 57.88 57.96 2qss h LEU 76 Cb 1.06 -0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.61 2qss h LEU 76 CO 0.25 0.40 0.24 -0.65 0.09 0.00 0.00 178.44 178.76 2qss h PRO 77 N 0.36 0.35 -0.09 1.13 0.11 -1.93 -1.00 132.00 130.93 2qss h PRO 77 Ca 0.11 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 2qss h PRO 77 Cb 0.10 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.13 2qss h PRO 77 CO -0.01 0.23 -0.13 0.78 -0.21 0.00 0.00 178.00 178.66 2qss h GLY 78 N 0.36 0.26 0.86 -0.55 0.00 -1.94 -2.92 103.07 99.14 2qss h GLY 78 Ca 0.40 -0.29 0.06 0.00 0.00 0.00 0.00 47.33 47.50 2qss h GLY 78 CO -0.44 0.26 0.59 0.00 0.00 0.00 0.00 176.54 176.96 2qss h ALA 79 N 0.53 1.49 -0.61 3.60 0.00 -1.15 -2.97 119.26 120.15 2qss h ALA 79 Ca 0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 2qss h ALA 79 Cb 0.68 -0.28 -0.10 0.00 0.00 0.00 0.00 17.79 18.10 2qss h ALA 79 CO 0.03 0.38 0.18 1.28 0.00 0.00 0.00 179.25 181.11 2qss n LEU 80 N -4.48 5.50 0.12 0.00 4.77 -0.40 -4.71 117.00 117.80 2qss n LEU 80 Ca 0.14 -3.24 -0.13 0.00 -0.03 0.00 0.00 56.01 52.74 2qss n LEU 80 Cb 0.19 -0.70 -0.06 0.00 -2.33 0.00 0.00 43.42 40.52 2qss n LEU 80 CO 0.33 0.83 0.67 -1.28 -1.33 0.00 0.00 177.39 176.61 2qss h SER 81 N 2.40 -0.84 -0.76 -1.43 0.87 -1.34 0.12 113.55 112.57 2qss h SER 81 Ca 0.21 0.09 0.03 0.00 -1.23 0.00 0.00 61.79 60.89 2qss h SER 81 Cb 2.10 0.32 -0.04 0.00 -0.44 0.00 0.00 62.40 64.33 2qss h SER 81 CO 0.61 -0.39 0.49 -0.33 -0.53 0.00 0.00 176.83 176.67 2qss h GLU 82 N -0.53 0.93 -0.10 2.24 4.39 -1.86 -2.59 114.58 117.07 2qss h GLU 82 Ca 0.03 -0.06 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2qss h GLU 82 Cb 0.55 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2qss h GLU 82 CO -0.16 0.61 -0.48 -0.07 -1.16 0.00 0.00 179.01 177.76 2qss h LEU 83 N 0.96 0.26 -0.33 1.33 3.38 -1.81 -2.05 115.31 117.04 2qss h LEU 83 Ca 0.30 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 57.97 2qss h LEU 83 Cb -0.01 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 2qss h LEU 83 CO -0.10 0.70 -0.50 0.77 0.09 0.00 0.00 178.44 179.40 2qss h SER 84 N 0.19 0.98 -0.74 -0.43 4.64 -0.68 -1.13 113.55 116.38 2qss h SER 84 Ca 0.01 -0.50 -0.04 0.00 -0.47 0.00 0.00 61.79 60.79 2qss h SER 84 Cb 0.91 -0.28 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 2qss h SER 84 CO 0.07 1.30 0.30 -0.78 -0.87 0.00 0.00 176.83 176.85 2qss h ASP 85 N 0.69 1.02 0.04 4.97 3.58 -1.33 0.30 116.42 125.70 2qss h ASP 85 Ca 0.03 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2qss h ASP 85 Cb 1.10 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2qss h ASP 85 CO 0.11 0.91 -0.02 0.25 -2.88 0.00 0.00 179.24 177.61 2qss h LEU 86 N 1.06 -0.05 0.02 2.28 5.85 -1.12 0.71 115.31 124.05 2qss h LEU 86 Ca 0.25 -0.03 -0.23 0.00 0.84 0.00 0.00 57.88 58.71 2qss h LEU 86 Cb 0.21 0.01 0.02 0.00 0.37 0.00 0.00 40.66 41.27 2qss h LEU 86 CO -0.02 -0.01 -0.90 0.45 -0.34 0.00 0.00 178.44 177.63 2qss h HIS 87 N -0.09 0.87 0.15 1.25 3.86 -1.15 0.14 115.15 120.19 2qss h HIS 87 Ca -0.01 -0.49 -0.34 0.00 -1.16 0.00 0.00 60.37 58.38 2qss h HIS 87 Cb 0.07 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.45 2qss h HIS 87 CO -0.07 1.32 -1.72 0.00 0.86 0.00 0.00 177.93 178.32 2qss h ALA 88 N 0.35 0.25 0.00 2.45 0.00 -0.98 -0.71 119.26 120.62 2qss h ALA 88 Ca -0.12 -1.18 -0.44 0.00 0.00 0.00 0.00 54.91 53.17 2qss h ALA 88 Cb 1.58 0.44 -0.07 0.00 0.00 0.00 0.00 17.79 19.74 2qss h ALA 88 CO 0.18 1.11 -2.48 1.58 0.00 0.00 0.00 179.25 179.64 2qss n HIS 89 N -3.52 0.06 0.07 0.00 -0.00 0.12 -3.85 115.22 108.11 2qss n HIS 89 Ca -0.23 0.02 -0.12 0.00 -0.00 0.00 0.00 57.72 57.40 2qss n HIS 89 Cb 1.06 -1.01 -0.08 0.00 -0.00 0.00 0.00 29.99 29.97 2qss n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2qss h LYS 90 N -0.84 -0.24 0.00 1.57 3.64 -1.02 -3.37 116.57 116.31 2qss h LYS 90 Ca -0.67 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2qss h LYS 90 Cb 1.65 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.52 2qss h LYS 90 CO -0.36 0.17 -1.03 1.28 -2.27 0.00 0.00 179.45 177.24 2qss n LEU 91 N -4.97 0.66 -3.89 5.20 4.77 0.47 -4.99 117.00 114.25 2qss n LEU 91 Ca -0.08 -0.15 -0.25 0.00 -0.03 0.00 0.00 56.01 55.49 2qss n LEU 91 Cb 0.26 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2qss n LEU 91 CO 0.28 0.11 -0.15 0.54 -1.33 0.00 0.00 177.39 176.84 2qss n ARG 92 N -1.79 -3.95 -2.13 3.23 3.00 -0.57 -4.88 116.66 109.56 2qss n ARG 92 Ca 0.02 0.48 -0.42 0.00 -0.01 0.00 0.00 57.85 57.93 2qss n ARG 92 Cb 0.40 -4.83 -0.03 0.00 0.00 0.00 0.00 32.46 28.00 2qss n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qss s VAL 93 N -3.78 3.48 0.20 1.55 1.01 -0.38 -4.95 120.40 117.53 2qss s VAL 93 Ca 0.09 0.91 -0.32 0.00 0.00 0.00 0.00 61.98 62.66 2qss s VAL 93 Cb -0.05 -3.58 -0.12 0.00 0.00 0.00 0.00 36.38 32.63 2qss s VAL 93 CO 0.86 0.01 1.71 -0.62 0.00 0.00 0.00 175.10 177.06 2qss s ASP 94 N 1.94 6.40 0.49 3.32 -1.08 -1.26 -4.88 116.67 121.60 2qss s ASP 94 Ca 0.67 2.85 0.25 0.00 -0.52 0.00 0.00 52.55 55.79 2qss s ASP 94 Cb -0.34 -2.60 1.31 0.00 -1.46 0.00 0.00 42.92 39.83 2qss s ASP 94 CO 0.28 -0.96 1.91 -0.65 0.52 0.00 0.00 175.17 176.27 2qss h PRO 95 N 6.82 0.15 -0.99 4.34 0.11 -1.99 0.02 132.00 140.46 2qss h PRO 95 Ca -0.43 -0.01 0.19 0.00 0.11 0.00 0.00 66.00 65.86 2qss h PRO 95 Cb 1.20 -0.03 -0.10 0.00 0.11 0.00 0.00 31.00 32.18 2qss h PRO 95 CO 0.95 0.10 0.61 -0.24 -0.21 0.00 0.00 178.00 179.22 2qss h VAL 96 N 0.15 0.71 0.00 3.15 3.04 -2.02 -2.24 116.25 119.04 2qss h VAL 96 Ca 0.39 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.81 2qss h VAL 96 Cb 1.32 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2qss h VAL 96 CO -0.06 0.13 -0.14 0.78 -1.01 0.00 0.00 177.57 177.27 2qss h ASN 97 N 0.72 0.00 0.32 3.17 4.21 -1.35 -0.67 115.58 121.98 2qss h ASN 97 Ca 0.56 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.96 2qss h ASN 97 Cb 0.94 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 2qss h ASN 97 CO -0.34 0.14 -0.46 -0.26 -1.29 0.00 0.00 177.43 175.21 2qss h PHE 98 N 0.00 0.22 -0.41 1.19 0.04 -1.55 -0.77 116.94 115.67 2qss h PHE 98 Ca -0.00 -0.06 -0.09 0.00 2.80 0.00 0.00 57.97 60.62 2qss h PHE 98 Cb 0.28 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2qss h PHE 98 CO 0.00 0.62 -0.11 0.87 -0.60 0.00 0.00 178.31 179.09 2qss h LYS 99 N 0.15 0.72 -0.23 1.51 1.57 -1.19 0.38 116.57 119.47 2qss h LYS 99 Ca 0.01 -0.23 -0.12 0.00 -1.87 0.00 0.00 60.65 58.44 2qss h LYS 99 Cb 0.88 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.12 2qss h LYS 99 CO 0.07 0.80 -0.32 -0.07 -0.57 0.00 0.00 179.45 179.36 2qss h LEU 100 N 0.65 0.68 -0.58 2.94 3.38 -1.07 -0.83 115.31 120.48 2qss h LEU 100 Ca 0.11 -0.51 -0.14 0.00 0.09 0.00 0.00 57.88 57.43 2qss h LEU 100 Cb 0.56 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2qss h LEU 100 CO 0.03 1.06 -0.38 0.25 0.09 0.00 0.00 178.44 179.49 2qss h LEU 101 N 0.32 0.74 -0.46 1.67 5.85 -1.01 -2.10 115.31 120.32 2qss h LEU 101 Ca 0.02 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.39 2qss h LEU 101 Cb 0.91 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2qss h LEU 101 CO 0.08 1.04 0.19 0.28 -0.34 0.00 0.00 178.44 179.69 2qss h SER 102 N 0.58 0.64 -0.77 1.25 0.02 -0.73 0.12 113.55 114.66 2qss h SER 102 Ca 0.05 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.87 2qss h SER 102 Cb 0.92 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.24 2qss h SER 102 CO 0.08 0.63 0.49 -0.74 -1.14 0.00 0.00 176.83 176.15 2qss h HIS 103 N 0.60 0.92 -0.50 3.45 -0.00 -1.10 -0.99 115.15 117.52 2qss h HIS 103 Ca 0.15 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.47 2qss h HIS 103 Cb 0.19 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 2qss h HIS 103 CO 0.00 0.53 0.01 0.77 -0.00 0.00 0.00 177.93 179.23 2qss h SER 104 N 0.95 0.81 -0.46 3.26 0.02 -0.67 -0.28 113.55 117.18 2qss h SER 104 Ca 0.31 -0.20 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 2qss h SER 104 Cb 0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 2qss h SER 104 CO -0.11 0.87 0.11 -0.07 -1.14 0.00 0.00 176.83 176.48 2qss h LEU 105 N 0.78 0.70 -0.60 5.07 3.38 -0.35 -1.85 115.31 122.45 2qss h LEU 105 Ca 0.15 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.90 2qss h LEU 105 Cb 0.46 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2qss h LEU 105 CO 0.02 0.76 0.39 -0.07 0.09 0.00 0.00 178.44 179.63 2qss h LEU 106 N 0.62 0.67 -0.30 1.67 3.38 -0.68 0.24 115.31 120.91 2qss h LEU 106 Ca 0.14 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.14 2qss h LEU 106 Cb 0.33 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2qss h LEU 106 CO 0.00 0.48 0.07 0.58 0.09 0.00 0.00 178.44 179.67 2qss h VAL 107 N 0.80 0.87 -0.42 1.22 2.07 -0.96 0.15 116.25 119.99 2qss h VAL 107 Ca 0.23 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.64 2qss h VAL 107 Cb -0.07 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 2qss h VAL 107 CO -0.06 0.03 0.10 0.74 0.02 0.00 0.00 177.57 178.40 2qss h THR 108 N 0.19 1.23 -0.44 2.57 2.02 -1.02 -1.12 112.91 116.34 2qss h THR 108 Ca 0.14 -0.80 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 2qss h THR 108 Cb 0.14 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 2qss h THR 108 CO -0.17 0.28 -0.01 -0.07 0.37 0.00 0.00 175.52 175.92 2qss h LEU 109 N 0.54 0.77 -1.05 2.58 3.38 -0.74 -1.80 115.31 118.99 2qss h LEU 109 Ca 0.13 -0.31 0.05 0.00 0.09 0.00 0.00 57.88 57.84 2qss h LEU 109 Cb 0.32 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2qss h LEU 109 CO 0.00 0.90 0.63 0.00 0.09 0.00 0.00 178.44 180.06 2qss h ALA 110 N 0.90 1.41 -0.51 1.53 0.00 -0.57 0.37 119.26 122.39 2qss h ALA 110 Ca 0.12 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2qss h ALA 110 Cb 0.51 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qss h ALA 110 CO 0.02 0.47 0.17 1.03 0.00 0.00 0.00 179.25 180.94 2qss h SER 111 N 1.17 0.74 0.60 0.00 0.87 -0.73 -3.12 113.55 113.09 2qss h SER 111 Ca 0.41 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.75 2qss h SER 111 Cb 0.10 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 61.87 2qss h SER 111 CO -0.14 0.74 -1.41 1.41 -0.53 0.00 0.00 176.83 176.90 2qss n HIS 112 N -4.50 0.61 -2.57 2.24 -0.00 -0.72 -4.43 115.22 105.85 2qss n HIS 112 Ca 0.02 0.18 -0.23 0.00 -0.00 0.00 0.00 57.72 57.69 2qss n HIS 112 Cb 0.19 -0.81 0.00 0.00 -0.00 0.00 0.00 29.99 29.37 2qss n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qss n LEU 113 N -2.54 3.95 0.18 2.41 7.99 0.13 -4.92 117.00 124.21 2qss n LEU 113 Ca -0.03 -4.96 0.06 0.00 -0.01 0.00 0.00 56.01 51.08 2qss n LEU 113 Cb 0.59 -0.26 0.56 0.00 -0.11 0.00 0.00 43.42 44.19 2qss n LEU 113 CO 0.42 2.12 1.07 1.55 -1.51 0.00 0.00 177.39 181.04 2qss h PRO 114 N 2.71 0.15 0.00 3.23 0.13 -1.75 0.34 132.00 136.81 2qss h PRO 114 Ca 0.20 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 2qss h PRO 114 Cb 0.94 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.03 2qss h PRO 114 CO 0.77 0.12 -0.09 0.43 -0.23 0.00 0.00 178.00 179.00 2qss n SER 115 N -4.50 0.35 -0.02 1.44 7.64 -1.26 -3.60 113.62 113.67 2qss n SER 115 Ca -0.01 0.42 0.06 0.00 1.01 0.00 0.00 58.87 60.35 2qss n SER 115 Cb 0.10 -0.47 -0.13 0.00 -1.01 0.00 0.00 64.21 62.70 2qss n SER 115 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2qss n ASP 116 N -1.77 1.21 -3.70 6.43 8.00 -0.07 -4.74 116.55 121.90 2qss n ASP 116 Ca 0.06 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.15 2qss n ASP 116 Cb 0.37 1.63 0.00 0.00 -0.02 0.00 0.00 41.12 43.11 2qss n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qss n PHE 117 N -2.15 2.75 -1.47 1.24 7.35 -0.16 -4.80 117.46 120.23 2qss n PHE 117 Ca -0.06 -2.79 -0.30 0.00 -0.76 0.00 0.00 57.45 53.54 2qss n PHE 117 Cb 0.51 -1.87 0.09 0.00 0.35 0.00 0.00 39.48 38.57 2qss n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qss s THR 118 N -0.40 3.14 0.24 -2.13 -4.23 -1.26 -4.74 115.64 106.25 2qss s THR 118 Ca 0.45 0.37 -0.05 0.00 -1.18 0.00 0.00 61.69 61.28 2qss s THR 118 Cb 0.13 -3.04 0.21 0.00 1.34 0.00 0.00 72.50 71.14 2qss s THR 118 CO -0.03 -0.48 1.72 -0.65 -0.54 0.00 0.00 174.62 174.64 2qss h PRO 119 N -1.13 0.39 -0.79 3.99 0.11 -1.99 0.19 132.00 132.77 2qss h PRO 119 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 2qss h PRO 119 Cb 1.26 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2qss h PRO 119 CO 0.57 0.26 0.35 0.00 -0.21 0.00 0.00 178.00 178.97 2qss h ALA 120 N 1.54 1.02 -0.28 -0.75 0.00 -1.97 -0.89 119.26 117.92 2qss h ALA 120 Ca 0.40 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 2qss h ALA 120 Cb 0.60 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2qss h ALA 120 CO -0.41 0.61 -0.33 0.28 0.00 0.00 0.00 179.25 179.40 2qss h VAL 121 N 1.12 1.30 -0.66 0.00 2.07 -1.71 -1.06 116.25 117.31 2qss h VAL 121 Ca 0.27 -1.51 0.10 0.00 0.82 0.00 0.00 66.70 66.37 2qss h VAL 121 Cb 0.17 1.61 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 2qss h VAL 121 CO -0.03 0.48 0.28 -0.74 0.02 0.00 0.00 177.57 177.59 2qss h HIS 122 N 0.47 0.49 -0.51 1.57 6.17 -0.47 0.31 115.15 123.18 2qss h HIS 122 Ca 0.04 0.03 -0.11 0.00 0.71 0.00 0.00 60.37 61.04 2qss h HIS 122 Cb 0.91 -0.12 -0.02 0.00 2.52 0.00 0.00 27.41 30.70 2qss h HIS 122 CO 0.07 0.14 -0.11 0.00 0.71 0.00 0.00 177.93 178.74 2qss h ALA 123 N 1.44 0.71 -0.16 5.26 0.00 -0.83 0.71 119.26 126.38 2qss h ALA 123 Ca 0.33 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2qss h ALA 123 Cb 0.40 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2qss h ALA 123 CO -0.30 0.62 0.03 0.77 0.00 0.00 0.00 179.25 180.37 2qss h SER 124 N 0.85 0.25 -0.77 0.00 0.02 -0.68 -1.81 113.55 111.41 2qss h SER 124 Ca 0.13 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2qss h SER 124 Cb 0.68 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 2qss h SER 124 CO 0.05 0.43 0.43 -0.07 -1.14 0.00 0.00 176.83 176.53 2qss h LEU 125 N 0.06 0.97 -0.16 5.07 3.38 -0.79 -0.73 115.31 123.11 2qss h LEU 125 Ca 0.05 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.96 2qss h LEU 125 Cb 0.28 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2qss h LEU 125 CO 0.00 0.78 0.02 -0.78 0.09 0.00 0.00 178.44 178.56 2qss h ASP 126 N 1.09 -0.01 -0.91 -0.43 3.58 -0.70 -1.12 116.42 117.93 2qss h ASP 126 Ca 0.28 0.03 -0.01 0.00 0.42 0.00 0.00 57.03 57.74 2qss h ASP 126 Cb 0.02 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.07 2qss h ASP 126 CO -0.05 0.02 0.51 0.11 -2.88 0.00 0.00 179.24 176.96 2qss h LYS 127 N 0.09 1.26 -0.06 0.28 1.57 -0.84 -0.44 116.57 118.43 2qss h LYS 127 Ca 0.07 -0.14 0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2qss h LYS 127 Cb 0.07 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 2qss h LYS 127 CO -0.11 0.91 -0.01 0.35 -0.57 0.00 0.00 179.45 180.02 2qss h PHE 128 N 1.27 -0.02 -0.37 -1.35 3.57 -0.88 0.25 116.94 119.41 2qss h PHE 128 Ca 0.32 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.70 2qss h PHE 128 Cb 0.00 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 2qss h PHE 128 CO 0.01 -0.02 -0.27 -0.07 -2.23 0.00 0.00 178.31 175.72 2qss h LEU 129 N 0.01 0.79 -1.23 0.59 3.38 -1.02 0.92 115.31 118.75 2qss h LEU 129 Ca 0.03 -0.31 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2qss h LEU 129 Cb 0.04 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2qss h LEU 129 CO -0.06 1.02 0.52 0.00 0.09 0.00 0.00 178.44 180.02 2qss h ALA 130 N 1.03 1.47 0.01 1.53 0.00 -0.82 0.37 119.26 122.86 2qss h ALA 130 Ca 0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.69 2qss h ALA 130 Cb 0.80 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 18.30 2qss h ALA 130 CO 0.07 0.47 -1.03 -0.91 0.00 0.00 0.00 179.25 177.85 2qss h ASN 131 N 1.03 0.77 -0.30 0.00 2.35 0.02 0.79 115.58 120.24 2qss h ASN 131 Ca 0.30 -0.63 0.04 0.00 -0.55 0.00 0.00 56.30 55.47 2qss h ASN 131 Cb -0.05 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.05 2qss h ASN 131 CO -0.08 1.43 0.08 0.58 -1.65 0.00 0.00 177.43 177.79 2qss h VAL 132 N 0.32 0.89 -0.65 2.81 2.07 -0.73 -2.14 116.25 118.83 2qss h VAL 132 Ca -0.12 -0.07 0.03 0.00 0.82 0.00 0.00 66.70 67.36 2qss h VAL 132 Cb 1.68 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 2qss h VAL 132 CO 0.19 0.04 0.40 0.28 0.02 0.00 0.00 177.57 178.50 2qss h SER 133 N 0.20 0.67 -0.51 0.57 0.02 -0.73 -0.73 113.55 113.03 2qss h SER 133 Ca 0.14 -0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 2qss h SER 133 Cb 0.13 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 2qss h SER 133 CO -0.16 0.47 0.22 0.74 -1.14 0.00 0.00 176.83 176.96 2qss h THR 134 N 0.80 0.90 -0.43 -2.27 2.02 -0.53 -1.33 112.91 112.06 2qss h THR 134 Ca 0.26 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 67.25 2qss h THR 134 Cb 0.00 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 2qss h THR 134 CO -0.10 0.08 0.10 0.58 0.37 0.00 0.00 175.52 176.56 2qss h VAL 135 N 0.44 1.23 0.00 3.16 2.07 -0.84 -2.44 116.25 119.86 2qss h VAL 135 Ca 0.23 -0.81 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2qss h VAL 135 Cb 0.19 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2qss h VAL 135 CO -0.20 0.28 0.00 -0.07 0.02 0.00 0.00 177.57 177.61 2qss h LEU 136 N 0.57 0.00 -2.81 2.57 3.38 -0.70 -1.87 115.31 116.44 2qss h LEU 136 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2qss h LEU 136 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2qss h LEU 136 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2qss n THR 137 N -2.85 1.02 0.88 0.22 -2.24 -0.54 -3.66 114.28 107.11 2qss n THR 137 Ca 0.01 -1.01 0.13 0.00 -2.27 0.00 0.00 64.05 60.91 2qss n THR 137 Cb 0.28 0.49 0.45 0.00 -2.10 0.00 0.00 70.33 69.45 2qss n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qss n SER 138 N 1.21 0.34 -1.57 3.42 3.41 -0.70 -4.14 113.62 115.59 2qss n SER 138 Ca 0.20 0.30 -0.13 0.00 -0.26 0.00 0.00 58.87 58.98 2qss n SER 138 Cb 0.55 -0.31 0.16 0.00 -0.26 0.00 0.00 64.21 64.35 2qss n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qss n LYS 139 N -1.71 2.24 -0.06 4.33 5.02 -1.26 -4.63 118.16 122.08 2qss n LYS 139 Ca 0.06 -3.33 -0.10 0.00 -2.02 0.00 0.00 58.31 52.92 2qss n LYS 139 Cb 0.37 -1.99 -0.04 0.00 -0.02 0.00 0.00 35.03 33.35 2qss n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2qss h TYR 140 N 1.29 0.31 0.00 2.13 -1.99 -1.74 -3.31 116.97 113.66 2qss h TYR 140 Ca 0.34 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 61.06 2qss h TYR 140 Cb 1.69 -0.10 0.00 0.00 2.00 0.00 0.00 36.73 40.33 2qss h TYR 140 CO 1.14 0.30 0.00 -2.13 -0.00 0.00 0.00 178.16 177.47