#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qsp s LEU 2 N 0.00 4.40 1.05 7.52 1.43 -1.26 -5.01 118.68 126.81 2qsp s LEU 2 Ca 0.00 2.49 -0.12 0.00 -1.03 0.00 0.00 54.13 55.47 2qsp s LEU 2 Cb 0.00 -3.61 0.22 0.00 0.03 0.00 0.00 46.19 42.83 2qsp s LEU 2 CO 0.00 -0.62 1.07 -0.94 0.23 0.00 0.00 176.35 176.09 2qsp s SER 3 N 0.48 2.05 0.25 2.29 1.04 -1.26 -4.79 113.70 113.76 2qsp s SER 3 Ca 0.59 1.46 -0.02 0.00 0.48 0.00 0.00 55.95 58.46 2qsp s SER 3 Cb -0.39 -2.16 0.48 0.00 0.10 0.00 0.00 66.02 64.06 2qsp s SER 3 CO 0.39 -3.53 1.77 0.00 0.98 0.00 0.00 173.24 172.85 2qsp h ALA 4 N -2.16 1.22 -0.46 5.32 0.00 -1.99 -0.88 119.26 120.30 2qsp h ALA 4 Ca -0.56 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.28 2qsp h ALA 4 Cb 1.32 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 2qsp h ALA 4 CO 0.53 -0.05 -0.26 0.00 0.00 0.00 0.00 179.25 179.47 2qsp h ALA 5 N 1.52 0.66 -0.58 0.00 0.00 -2.00 -1.43 119.26 117.43 2qsp h ALA 5 Ca 0.44 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2qsp h ALA 5 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2qsp h ALA 5 CO -0.33 0.67 0.39 -0.44 0.00 0.00 0.00 179.25 179.54 2qsp h ASP 6 N 0.84 0.66 -0.51 0.00 3.32 -1.86 -1.41 116.42 117.47 2qsp h ASP 6 Ca 0.10 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 57.06 2qsp h ASP 6 Cb 0.84 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 2qsp h ASP 6 CO 0.07 0.48 0.04 0.11 -1.72 0.00 0.00 179.24 178.23 2qsp h LYS 7 N 0.79 0.92 -0.31 3.56 1.57 -0.81 -0.27 116.57 122.02 2qsp h LYS 7 Ca 0.22 -0.25 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 2qsp h LYS 7 Cb -0.08 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 2qsp h LYS 7 CO -0.05 0.89 0.03 0.78 -0.57 0.00 0.00 179.45 180.53 2qsp h GLY 8 N 1.00 0.56 0.97 3.86 0.00 -1.08 -0.59 103.07 107.80 2qsp h GLY 8 Ca 0.17 -0.39 0.01 0.00 0.00 0.00 0.00 47.33 47.12 2qsp h GLY 8 CO 0.02 0.36 0.35 3.43 0.00 0.00 0.00 176.54 180.70 2qsp h ASN 9 N 0.33 0.59 -0.28 0.19 -0.26 -0.93 -0.62 115.58 114.60 2qsp h ASN 9 Ca 0.09 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.76 2qsp h ASN 9 Cb 0.38 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.49 2qsp h ASN 9 CO 0.01 0.43 -0.05 0.58 -1.06 0.00 0.00 177.43 177.33 2qsp h VAL 10 N 0.71 1.28 -0.65 2.81 2.07 -0.94 -1.24 116.25 120.29 2qsp h VAL 10 Ca 0.20 -1.06 -0.06 0.00 0.82 0.00 0.00 66.70 66.60 2qsp h VAL 10 Cb -0.06 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2qsp h VAL 10 CO -0.06 0.34 0.17 0.11 0.02 0.00 0.00 177.57 178.15 2qsp h LYS 11 N 0.30 1.01 -0.27 1.57 1.57 -0.89 -0.61 116.57 119.24 2qsp h LYS 11 Ca 0.07 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.53 2qsp h LYS 11 Cb 0.52 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2qsp h LYS 11 CO 0.03 0.89 -0.21 0.00 -0.57 0.00 0.00 179.45 179.58 2qsp h ALA 12 N 1.21 0.40 -0.22 3.86 0.00 -1.02 -1.47 119.26 122.01 2qsp h ALA 12 Ca 0.21 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2qsp h ALA 12 Cb 0.33 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qsp h ALA 12 CO -0.00 0.35 0.10 0.00 0.00 0.00 0.00 179.25 179.70 2qsp h ALA 13 N 0.71 0.29 -0.08 0.00 0.00 -1.15 -1.36 119.26 117.66 2qsp h ALA 13 Ca 0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2qsp h ALA 13 Cb 0.76 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2qsp h ALA 13 CO 0.06 -0.14 -0.09 2.35 0.00 0.00 0.00 179.25 181.43 2qsp h TRP 14 N 0.22 0.12 -0.13 0.00 2.91 -1.09 -1.54 115.95 116.44 2qsp h TRP 14 Ca 0.07 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.09 2qsp h TRP 14 Cb 0.14 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 28.75 2qsp h TRP 14 CO -0.02 0.22 0.08 0.78 -1.03 0.00 0.00 178.44 178.47 2qsp h GLY 15 N 0.50 0.19 1.43 2.65 0.00 -0.87 -2.27 103.07 104.69 2qsp h GLY 15 Ca 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.29 2qsp h GLY 15 CO 0.01 0.07 0.38 0.50 0.00 0.00 0.00 176.54 177.51 2qsp h LYS 16 N 0.16 0.77 -0.59 4.80 1.79 -0.84 -2.11 116.57 120.54 2qsp h LYS 16 Ca 0.05 -0.05 0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2qsp h LYS 16 Cb 0.01 -0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 30.43 2qsp h LYS 16 CO -0.01 0.51 0.31 0.28 -1.08 0.00 0.00 179.45 179.46 2qsp h VAL 17 N 0.79 0.95 0.00 0.50 2.07 -0.80 -3.46 116.25 116.30 2qsp h VAL 17 Ca 0.21 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2qsp h VAL 17 Cb -0.09 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2qsp h VAL 17 CO -0.05 0.11 0.00 0.61 0.02 0.00 0.00 177.57 178.26 2qsp n GLY 18 N -1.27 2.46 0.04 2.17 0.00 -0.80 -1.55 105.19 106.24 2qsp n GLY 18 Ca 0.07 -0.38 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2qsp n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qsp n GLY 19 N 0.00 -0.91 0.93 -0.02 0.00 -1.26 -3.55 105.19 100.38 2qsp n GLY 19 Ca 0.00 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.03 2qsp n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2qsp n HIS 20 N -0.62 0.38 -0.06 1.61 8.25 -0.60 -4.59 115.22 119.60 2qsp n HIS 20 Ca 0.10 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 2qsp n HIS 20 Cb 0.06 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 2qsp n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qsp h ALA 21 N 4.34 -0.20 -0.58 -1.41 0.00 -1.70 -0.89 119.26 118.82 2qsp h ALA 21 Ca 0.00 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2qsp h ALA 21 Cb 0.80 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2qsp h ALA 21 CO 0.00 -0.71 0.39 0.00 0.00 0.00 0.00 179.25 178.92 2qsp h ALA 22 N 0.70 0.74 -0.77 0.00 0.00 -1.84 0.52 119.26 118.61 2qsp h ALA 22 Ca 0.14 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.09 2qsp h ALA 22 Cb 0.51 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2qsp h ALA 22 CO -0.43 0.17 0.44 0.93 0.00 0.00 0.00 179.25 180.36 2qsp h GLU 23 N 0.79 0.74 -0.03 0.00 5.08 -1.77 -0.33 114.58 119.06 2qsp h GLU 23 Ca 0.21 -0.04 -0.23 0.00 -1.00 0.00 0.00 59.36 58.29 2qsp h GLU 23 Cb -0.09 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.00 2qsp h GLU 23 CO -0.05 0.49 -0.93 1.88 -1.00 0.00 0.00 179.01 179.40 2qsp h TYR 24 N 0.76 0.79 -0.46 4.33 0.05 -0.63 -0.94 116.97 120.88 2qsp h TYR 24 Ca 0.36 -0.41 0.05 0.00 0.05 0.00 0.00 58.73 58.78 2qsp h TYR 24 Cb 0.29 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 37.89 2qsp h TYR 24 CO -0.07 1.23 0.19 0.78 -1.05 0.00 0.00 178.16 179.25 2qsp h GLY 25 N 0.91 0.62 0.97 3.88 0.00 -0.58 0.97 103.07 109.84 2qsp h GLY 25 Ca -0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 2qsp h GLY 25 CO 0.17 0.05 0.23 0.00 0.00 0.00 0.00 176.54 176.99 2qsp h ALA 26 N 1.28 0.60 -0.55 3.60 0.00 -0.92 -1.79 119.26 121.49 2qsp h ALA 26 Ca 0.21 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qsp h ALA 26 Cb 0.18 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2qsp h ALA 26 CO -0.19 0.17 0.34 1.49 0.00 0.00 0.00 179.25 181.06 2qsp h GLU 27 N 0.61 0.74 -0.41 0.00 4.81 -0.85 -1.50 114.58 117.98 2qsp h GLU 27 Ca 0.16 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 2qsp h GLU 27 Cb 0.12 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 2qsp h GLU 27 CO -0.02 0.53 0.23 0.00 -0.73 0.00 0.00 179.01 179.02 2qsp h ALA 28 N 1.17 0.52 -0.45 2.92 0.00 -0.49 0.64 119.26 123.57 2qsp h ALA 28 Ca 0.20 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qsp h ALA 28 Cb -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2qsp h ALA 28 CO -0.04 -0.10 0.28 -0.07 0.00 0.00 0.00 179.25 179.32 2qsp h LEU 29 N 0.47 0.47 -0.03 0.00 3.38 -1.22 0.95 115.31 119.33 2qsp h LEU 29 Ca 0.17 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2qsp h LEU 29 Cb 0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 2qsp h LEU 29 CO -0.09 0.34 -0.05 -0.08 0.09 0.00 0.00 178.44 178.65 2qsp h GLU 30 N 0.57 -0.08 -1.00 1.13 4.81 -0.78 0.13 114.58 119.36 2qsp h GLU 30 Ca 0.17 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2qsp h GLU 30 Cb -0.02 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 29.30 2qsp h GLU 30 CO -0.06 -0.05 0.64 0.00 -0.73 0.00 0.00 179.01 178.81 2qsp h ARG 31 N -0.08 1.08 -0.18 1.92 3.08 -0.60 -0.74 114.38 118.86 2qsp h ARG 31 Ca 0.03 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 2qsp h ARG 31 Cb 0.13 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2qsp h ARG 31 CO -0.08 0.71 0.03 1.98 -1.07 0.00 0.00 179.97 181.54 2qsp h MET 32 N 1.11 0.29 -0.65 0.04 4.05 -0.06 -1.11 114.93 118.60 2qsp h MET 32 Ca 0.45 -0.08 -0.06 0.00 -0.28 0.00 0.00 59.70 59.74 2qsp h MET 32 Cb 0.27 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.01 2qsp h MET 32 CO -0.20 0.45 0.18 0.74 0.23 0.00 0.00 176.91 178.31 2qsp h PHE 33 N 0.08 1.03 0.09 1.39 0.04 -0.68 0.20 116.94 119.10 2qsp h PHE 33 Ca 0.05 -0.10 -0.24 0.00 2.80 0.00 0.00 57.97 60.48 2qsp h PHE 33 Cb 0.30 -0.30 0.02 0.00 2.20 0.00 0.00 35.95 38.17 2qsp h PHE 33 CO 0.02 0.84 -1.01 -0.07 -0.60 0.00 0.00 178.31 177.48 2qsp h LEU 34 N 0.96 0.73 -0.28 1.54 3.38 -1.11 -3.13 115.31 117.41 2qsp h LEU 34 Ca 0.21 -0.83 -0.17 0.00 0.09 0.00 0.00 57.88 57.18 2qsp h LEU 34 Cb 0.31 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2qsp h LEU 34 CO -0.00 1.48 -0.83 0.28 0.09 0.00 0.00 178.44 179.46 2qsp h SER 35 N 0.08 0.00 -2.36 -0.43 0.02 -1.09 -3.39 113.55 106.39 2qsp h SER 35 Ca -0.15 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.21 2qsp h SER 35 Cb 1.72 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.86 2qsp h SER 35 CO 0.19 0.83 -0.89 0.49 -1.14 0.00 0.00 176.83 176.31 2qsp n PHE 36 N -3.49 0.61 0.29 3.45 3.72 0.69 -5.00 117.46 117.72 2qsp n PHE 36 Ca -0.00 -3.68 0.17 0.00 -0.05 0.00 0.00 57.45 53.89 2qsp n PHE 36 Cb 0.81 -0.19 0.97 0.00 -0.94 0.00 0.00 39.48 40.13 2qsp n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2qsp h PRO 37 N 4.90 0.00 0.00 -1.08 0.11 -1.73 -0.77 132.00 133.43 2qsp h PRO 37 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.27 2qsp h PRO 37 Cb 0.84 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 2qsp h PRO 37 CO 0.52 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.24 2qsp h THR 38 N 0.00 0.60 -0.05 -1.15 1.03 -1.92 -1.78 112.91 109.64 2qsp h THR 38 Ca 0.02 -0.30 0.01 0.00 -0.01 0.00 0.00 66.41 66.13 2qsp h THR 38 Cb 0.13 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 68.40 2qsp h THR 38 CO -0.00 0.07 0.05 0.71 -0.01 0.00 0.00 175.52 176.34 2qsp h THR 39 N 0.00 0.62 0.00 0.00 1.35 -1.46 -1.30 112.91 112.12 2qsp h THR 39 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.84 2qsp h THR 39 Cb 0.18 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.56 2qsp h THR 39 CO 0.01 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.32 2qsp h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.50 -2.75 116.57 118.61 2qsp h LYS 40 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2qsp h LYS 40 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qsp h LYS 40 CO -0.00 0.07 0.00 1.79 -0.57 0.00 0.00 179.45 180.74 2qsp h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.40 0.30 112.91 113.01 2qsp h THR 41 Ca -0.00 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 2qsp h THR 41 Cb 0.13 0.79 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 2qsp h THR 41 CO 0.01 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.06 2qsp n TYR 42 N -2.45 0.07 -2.75 4.73 4.01 -1.04 -4.05 117.16 115.68 2qsp n TYR 42 Ca -0.00 0.02 -0.22 0.00 -0.16 0.00 0.00 57.90 57.53 2qsp n TYR 42 Cb 0.12 -0.54 -0.01 0.00 -0.31 0.00 0.00 39.34 38.60 2qsp n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2qsp n PHE 43 N -1.56 2.72 0.17 -0.72 3.01 0.10 -4.97 117.46 116.21 2qsp n PHE 43 Ca 0.06 -3.42 0.04 0.00 1.01 0.00 0.00 57.45 55.13 2qsp n PHE 43 Cb 0.29 -0.31 0.44 0.00 -0.01 0.00 0.00 39.48 39.90 2qsp n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2qsp h PRO 44 N 2.84 0.11 -0.69 -1.08 0.13 -1.70 -1.93 132.00 129.67 2qsp h PRO 44 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2qsp h PRO 44 Cb 0.85 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.97 2qsp h PRO 44 CO 0.72 0.28 0.00 0.72 -0.23 0.00 0.00 178.00 179.50 2qsp n HIS 45 N -4.28 1.20 -3.09 1.56 8.25 -1.26 -4.93 115.22 112.67 2qsp n HIS 45 Ca -0.02 -0.55 -0.35 0.00 -0.26 0.00 0.00 57.72 56.54 2qsp n HIS 45 Cb 0.27 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 31.20 2qsp n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2qsp s PHE 46 N -1.40 3.55 -0.24 4.41 0.40 -0.73 -5.05 117.98 118.92 2qsp s PHE 46 Ca 0.50 1.35 -0.23 0.00 -0.60 0.00 0.00 56.93 57.95 2qsp s PHE 46 Cb 0.29 -2.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.19 2qsp s PHE 46 CO 0.29 0.23 0.74 0.34 0.70 0.00 0.00 175.22 177.52 2qsp s ASP 47 N -1.88 6.73 0.00 1.36 -1.08 -1.26 -4.95 116.67 115.60 2qsp s ASP 47 Ca 0.48 0.90 0.09 0.00 -0.52 0.00 0.00 52.55 53.50 2qsp s ASP 47 Cb -0.14 -2.39 0.25 0.00 -1.46 0.00 0.00 42.92 39.17 2qsp s ASP 47 CO 0.20 -0.44 1.20 0.18 0.52 0.00 0.00 175.17 176.83 2qsp n LEU 48 N 5.79 2.74 -4.44 -1.34 4.77 -1.26 -4.45 117.00 118.81 2qsp n LEU 48 Ca 0.03 -1.97 -0.35 0.00 -0.03 0.00 0.00 56.01 53.69 2qsp n LEU 48 Cb 0.48 -0.19 0.10 0.00 -2.33 0.00 0.00 43.42 41.48 2qsp n LEU 48 CO 0.45 0.68 0.00 -1.54 -1.33 0.00 0.00 177.39 175.66 2qsp n SER 49 N 0.35 -1.58 -4.72 -1.43 3.41 -1.26 -4.84 113.62 103.54 2qsp n SER 49 Ca 0.10 0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 58.74 2qsp n SER 49 Cb 0.39 -1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.11 2qsp n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2qsp n HIS 50 N -2.99 2.63 -0.78 7.33 -0.00 -1.26 -1.44 115.22 118.71 2qsp n HIS 50 Ca 0.08 0.32 0.00 0.00 0.46 0.00 0.00 57.72 58.58 2qsp n HIS 50 Cb 0.52 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.84 2qsp n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qsp n GLY 51 N 2.11 1.18 3.62 1.57 0.00 -1.26 -5.00 105.19 107.41 2qsp n GLY 51 Ca 0.09 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.61 2qsp n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qsp n SER 52 N 0.00 2.24 0.29 1.61 2.88 -0.52 -4.86 113.62 115.26 2qsp n SER 52 Ca 0.00 1.10 0.17 0.00 -1.33 0.00 0.00 58.87 58.81 2qsp n SER 52 Cb 0.00 -1.28 0.86 0.00 -0.75 0.00 0.00 64.21 63.04 2qsp n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qsp h ALA 53 N 5.23 1.12 -0.18 -1.46 0.00 -1.91 -2.09 119.26 119.98 2qsp h ALA 53 Ca -0.47 -0.05 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2qsp h ALA 53 Cb 1.30 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2qsp h ALA 53 CO 0.83 0.06 -0.63 1.96 0.00 0.00 0.00 179.25 181.47 2qsp h GLN 54 N 0.00 0.65 -0.32 0.00 4.20 -1.89 0.18 115.11 117.93 2qsp h GLN 54 Ca -0.00 -0.45 -0.09 0.00 0.06 0.00 0.00 58.65 58.17 2qsp h GLN 54 Cb 0.28 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2qsp h GLN 54 CO 0.01 1.07 -0.13 0.28 -0.67 0.00 0.00 178.83 179.39 2qsp h VAL 55 N 0.48 1.29 -0.29 -0.54 2.07 -1.64 0.21 116.25 117.82 2qsp h VAL 55 Ca -0.01 -1.23 0.02 0.00 0.82 0.00 0.00 66.70 66.30 2qsp h VAL 55 Cb 1.21 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 2qsp h VAL 55 CO 0.12 0.40 0.14 0.50 0.02 0.00 0.00 177.57 178.75 2qsp h LYS 56 N 0.43 0.29 -0.59 1.57 3.64 -1.38 0.21 116.57 120.73 2qsp h LYS 56 Ca 0.07 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2qsp h LYS 56 Cb 0.66 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 2qsp h LYS 56 CO 0.04 0.19 0.03 0.78 -2.27 0.00 0.00 179.45 178.22 2qsp h GLY 57 N 0.30 1.11 1.66 5.01 0.00 -0.58 -2.44 103.07 108.12 2qsp h GLY 57 Ca 0.12 -0.80 -0.15 0.00 0.00 0.00 0.00 47.33 46.51 2qsp h GLY 57 CO -0.08 0.74 -0.55 0.84 0.00 0.00 0.00 176.54 177.48 2qsp h HIS 58 N 0.93 0.45 -0.75 5.60 -0.00 -0.75 -2.83 115.15 117.81 2qsp h HIS 58 Ca 0.17 -0.16 0.06 0.00 -0.00 0.00 0.00 60.37 60.44 2qsp h HIS 58 Cb 0.52 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 27.79 2qsp h HIS 58 CO 0.04 0.83 0.44 0.78 -0.00 0.00 0.00 177.93 180.02 2qsp h GLY 59 N 1.28 1.11 1.00 5.26 0.00 -0.47 -0.99 103.07 110.26 2qsp h GLY 59 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 2qsp h GLY 59 CO 0.09 0.21 0.29 0.00 0.00 0.00 0.00 176.54 177.13 2qsp h ALA 60 N 1.37 0.84 -0.27 3.60 0.00 -1.24 -1.12 119.26 122.44 2qsp h ALA 60 Ca 0.33 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2qsp h ALA 60 Cb 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2qsp h ALA 60 CO -0.17 0.43 -0.14 0.87 0.00 0.00 0.00 179.25 180.23 2qsp h LYS 61 N 0.90 0.57 -0.19 0.00 1.57 -1.19 -0.33 116.57 117.89 2qsp h LYS 61 Ca 0.22 -0.25 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2qsp h LYS 61 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 2qsp h LYS 61 CO -0.02 0.82 0.11 0.28 -0.57 0.00 0.00 179.45 180.07 2qsp h VAL 62 N 0.31 1.01 -0.40 0.50 2.07 -1.13 -1.86 116.25 116.75 2qsp h VAL 62 Ca 0.06 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.56 2qsp h VAL 62 Cb 0.66 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2qsp h VAL 62 CO 0.04 0.04 0.08 0.00 0.02 0.00 0.00 177.57 177.75 2qsp h ALA 63 N 1.09 0.43 -0.88 1.67 0.00 -1.12 -0.86 119.26 119.58 2qsp h ALA 63 Ca 0.08 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.13 2qsp h ALA 63 Cb 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2qsp h ALA 63 CO -0.04 -0.32 0.55 0.00 0.00 0.00 0.00 179.25 179.44 2qsp h ALA 64 N 1.30 1.22 -0.37 0.00 0.00 -0.89 0.22 119.26 120.75 2qsp h ALA 64 Ca 0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2qsp h ALA 64 Cb 0.23 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qsp h ALA 64 CO -0.25 0.29 -0.17 0.00 0.00 0.00 0.00 179.25 179.11 2qsp h ALA 65 N 1.42 1.00 -0.52 0.00 0.00 -0.77 -0.60 119.26 119.80 2qsp h ALA 65 Ca 0.39 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2qsp h ALA 65 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2qsp h ALA 65 CO -0.18 0.59 0.12 -0.07 0.00 0.00 0.00 179.25 179.71 2qsp h LEU 66 N 0.61 0.80 -0.62 0.00 3.38 -0.61 0.15 115.31 119.03 2qsp h LEU 66 Ca 0.10 -0.24 0.02 0.00 0.09 0.00 0.00 57.88 57.85 2qsp h LEU 66 Cb 0.64 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2qsp h LEU 66 CO 0.05 0.84 0.38 0.74 0.09 0.00 0.00 178.44 180.54 2qsp h THR 67 N 0.74 1.09 -0.53 0.22 2.02 -0.65 0.13 112.91 115.92 2qsp h THR 67 Ca 0.16 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 67.10 2qsp h THR 67 Cb 0.36 0.26 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 2qsp h THR 67 CO 0.00 0.14 0.33 0.50 0.37 0.00 0.00 175.52 176.87 2qsp h LYS 68 N 0.76 0.65 -0.55 6.66 3.64 -0.90 -1.52 116.57 125.32 2qsp h LYS 68 Ca 0.25 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2qsp h LYS 68 Cb 0.00 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.64 2qsp h LYS 68 CO -0.09 0.43 0.33 0.00 -2.27 0.00 0.00 179.45 177.85 2qsp h ALA 69 N 1.22 0.71 -1.00 5.00 0.00 -0.19 -2.36 119.26 122.65 2qsp h ALA 69 Ca 0.21 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2qsp h ALA 69 Cb -0.02 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2qsp h ALA 69 CO -0.07 0.04 0.66 0.28 0.00 0.00 0.00 179.25 180.16 2qsp h VAL 70 N 0.65 1.26 0.00 0.00 2.07 -0.31 -0.40 116.25 119.52 2qsp h VAL 70 Ca 0.22 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.27 2qsp h VAL 70 Cb 0.03 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 29.60 2qsp h VAL 70 CO -0.10 0.25 0.00 -0.62 0.02 0.00 0.00 177.57 177.12 2qsp n GLU 71 N -4.38 0.15 -2.45 1.57 1.02 -0.61 -3.89 120.64 112.05 2qsp n GLU 71 Ca 0.12 0.33 -0.16 0.00 -0.02 0.00 0.00 57.16 57.43 2qsp n GLU 71 Cb 0.02 -1.76 0.02 0.00 -0.02 0.00 0.00 31.44 29.70 2qsp n GLU 71 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2qsp n HIS 72 N -2.04 2.28 0.31 -0.32 8.25 -0.18 -4.91 115.22 118.61 2qsp n HIS 72 Ca 0.03 -2.54 0.20 0.00 -0.26 0.00 0.00 57.72 55.15 2qsp n HIS 72 Cb 0.25 -0.26 1.02 0.00 1.12 0.00 0.00 29.99 32.13 2qsp n HIS 72 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 2qsp h LEU 73 N 2.54 0.00 0.00 2.41 3.38 -1.60 -2.01 115.31 120.03 2qsp h LEU 73 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2qsp h LEU 73 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2qsp h LEU 73 CO 0.60 0.01 -0.24 0.47 0.09 0.00 0.00 178.44 179.38 2qsp n ASP 74 N -3.20 0.44 -3.05 -0.43 8.00 -1.26 -4.26 116.55 112.79 2qsp n ASP 74 Ca -0.02 0.27 -0.18 0.00 0.71 0.00 0.00 54.79 55.57 2qsp n ASP 74 Cb 0.15 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 40.96 2qsp n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2qsp n ASP 75 N -1.79 -0.68 -0.19 -2.24 2.03 -0.76 -4.96 116.55 107.95 2qsp n ASP 75 Ca 0.06 -2.97 -0.08 0.00 0.52 0.00 0.00 54.79 52.31 2qsp n ASP 75 Cb 0.38 0.17 0.02 0.00 -0.72 0.00 0.00 41.12 40.97 2qsp n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2qsp h LEU 76 N 3.77 0.77 -1.47 -2.67 3.38 -1.72 -2.01 115.31 115.36 2qsp h LEU 76 Ca 0.01 -0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.87 2qsp h LEU 76 Cb 0.95 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.45 2qsp h LEU 76 CO 0.41 0.77 0.47 -0.65 0.09 0.00 0.00 178.44 179.53 2qsp h PRO 77 N 0.73 0.58 0.08 1.13 0.11 -1.93 -1.02 132.00 131.69 2qsp h PRO 77 Ca 0.17 -0.03 -0.15 0.00 0.11 0.00 0.00 66.00 66.10 2qsp h PRO 77 Cb 0.27 -0.13 0.02 0.00 0.11 0.00 0.00 31.00 31.26 2qsp h PRO 77 CO -0.01 0.38 -0.62 0.78 -0.21 0.00 0.00 178.00 178.32 2qsp h GLY 78 N 0.60 0.32 0.69 -0.55 0.00 -1.92 -3.08 103.07 99.13 2qsp h GLY 78 Ca 0.33 -0.72 0.13 0.00 0.00 0.00 0.00 47.33 47.08 2qsp h GLY 78 CO -0.11 0.63 0.52 0.00 0.00 0.00 0.00 176.54 177.57 2qsp h ALA 79 N 0.15 1.97 -0.41 3.60 0.00 -1.20 -2.96 119.26 120.42 2qsp h ALA 79 Ca -0.10 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2qsp h ALA 79 Cb 1.44 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 2qsp h ALA 79 CO 0.12 -0.18 0.04 1.28 0.00 0.00 0.00 179.25 180.51 2qsp n LEU 80 N -4.50 4.62 0.25 0.00 4.77 -0.40 -4.76 117.00 116.98 2qsp n LEU 80 Ca 0.15 -3.13 -0.17 0.00 -0.03 0.00 0.00 56.01 52.83 2qsp n LEU 80 Cb 0.47 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.85 2qsp n LEU 80 CO 0.32 0.76 0.52 -1.28 -1.33 0.00 0.00 177.39 176.38 2qsp h SER 81 N 2.23 -1.29 -0.82 -1.43 0.87 -1.42 -0.62 113.55 111.06 2qsp h SER 81 Ca 0.07 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 2qsp h SER 81 Cb 1.72 0.43 -0.04 0.00 -0.44 0.00 0.00 62.40 64.07 2qsp h SER 81 CO 0.38 -0.60 0.54 -0.33 -0.53 0.00 0.00 176.83 176.29 2qsp h GLU 82 N -0.90 1.02 -0.04 2.24 5.08 -1.86 -2.63 114.58 117.49 2qsp h GLU 82 Ca -0.05 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.12 2qsp h GLU 82 Cb 0.79 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2qsp h GLU 82 CO -0.08 0.68 -0.56 -0.07 -1.00 0.00 0.00 179.01 177.97 2qsp h LEU 83 N 1.05 0.15 -0.35 1.33 3.38 -1.78 -2.13 115.31 116.96 2qsp h LEU 83 Ca 0.32 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.14 2qsp h LEU 83 Cb -0.03 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2qsp h LEU 83 CO -0.08 0.68 -0.04 -1.28 0.09 0.00 0.00 178.44 177.81 2qsp h SER 84 N 0.10 0.64 -0.83 -0.43 0.87 -0.77 -0.94 113.55 112.19 2qsp h SER 84 Ca -0.00 -0.34 0.03 0.00 -1.23 0.00 0.00 61.79 60.25 2qsp h SER 84 Cb 1.03 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.76 2qsp h SER 84 CO 0.08 0.82 0.54 -0.78 -0.53 0.00 0.00 176.83 176.96 2qsp h ASP 85 N 0.44 0.89 0.16 6.23 1.82 -1.33 -0.01 116.42 124.63 2qsp h ASP 85 Ca 0.09 -0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.72 2qsp h ASP 85 Cb 0.52 -0.20 0.00 0.00 0.68 0.00 0.00 39.33 40.33 2qsp h ASP 85 CO 0.03 0.62 -0.08 0.25 -1.61 0.00 0.00 179.24 178.45 2qsp h LEU 86 N 1.05 -0.18 0.03 2.28 5.85 -1.13 0.75 115.31 123.96 2qsp h LEU 86 Ca 0.33 -0.12 -0.28 0.00 0.84 0.00 0.00 57.88 58.65 2qsp h LEU 86 Cb -0.01 0.05 0.02 0.00 0.37 0.00 0.00 40.66 41.09 2qsp h LEU 86 CO -0.11 0.01 -1.13 0.45 -0.34 0.00 0.00 178.44 177.32 2qsp h HIS 87 N -0.38 0.94 0.03 1.25 3.86 -1.06 0.87 115.15 120.67 2qsp h HIS 87 Ca -0.02 -0.56 -0.20 0.00 -1.16 0.00 0.00 60.37 58.43 2qsp h HIS 87 Cb 0.30 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 2qsp h HIS 87 CO -0.02 1.39 -1.08 0.00 0.86 0.00 0.00 177.93 179.08 2qsp h ALA 88 N 0.41 0.20 0.03 2.45 0.00 -1.07 -0.58 119.26 120.71 2qsp h ALA 88 Ca -0.15 -1.05 -0.30 0.00 0.00 0.00 0.00 54.91 53.41 2qsp h ALA 88 Cb 1.80 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 20.08 2qsp h ALA 88 CO 0.21 0.62 -1.64 1.58 0.00 0.00 0.00 179.25 180.03 2qsp n HIS 89 N -4.30 0.94 0.06 0.00 -0.00 -0.15 -3.15 115.22 108.61 2qsp n HIS 89 Ca -0.26 0.33 -0.12 0.00 -0.00 0.00 0.00 57.72 57.67 2qsp n HIS 89 Cb 0.71 -1.10 -0.08 0.00 -0.00 0.00 0.00 29.99 29.52 2qsp n HIS 89 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.34 176.12 2qsp h LYS 90 N -0.69 -0.19 0.00 1.57 3.64 -0.83 -3.37 116.57 116.70 2qsp h LYS 90 Ca -0.42 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2qsp h LYS 90 Cb 1.55 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2qsp h LYS 90 CO -0.15 0.24 -1.03 1.28 -2.27 0.00 0.00 179.45 177.52 2qsp n LEU 91 N -4.95 0.62 -3.89 5.20 4.77 0.29 -4.99 117.00 114.05 2qsp n LEU 91 Ca -0.08 -0.06 -0.25 0.00 -0.03 0.00 0.00 56.01 55.59 2qsp n LEU 91 Cb 0.27 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2qsp n LEU 91 CO 0.29 0.06 -0.13 0.54 -1.33 0.00 0.00 177.39 176.82 2qsp n ARG 92 N -1.91 -4.04 -2.29 3.23 3.00 -0.61 -4.88 116.66 109.16 2qsp n ARG 92 Ca 0.02 0.49 -0.42 0.00 -0.01 0.00 0.00 57.85 57.93 2qsp n ARG 92 Cb 0.43 -4.88 -0.03 0.00 0.00 0.00 0.00 32.46 27.97 2qsp n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qsp s VAL 93 N -3.74 3.71 0.21 1.55 1.01 -0.32 -4.95 120.40 117.86 2qsp s VAL 93 Ca 0.13 1.19 -0.31 0.00 0.00 0.00 0.00 61.98 63.00 2qsp s VAL 93 Cb -0.07 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.44 2qsp s VAL 93 CO 0.86 0.07 1.52 -0.62 0.00 0.00 0.00 175.10 176.93 2qsp s ASP 94 N 1.27 6.59 0.55 3.32 -1.08 -1.26 -4.87 116.67 121.20 2qsp s ASP 94 Ca 0.62 2.68 0.27 0.00 -0.52 0.00 0.00 52.55 55.59 2qsp s ASP 94 Cb -0.32 -2.61 1.47 0.00 -1.46 0.00 0.00 42.92 39.99 2qsp s ASP 94 CO 0.29 -0.78 2.00 -0.65 0.52 0.00 0.00 175.17 176.54 2qsp h PRO 95 N 5.86 0.00 -0.90 4.34 0.10 -1.99 -0.98 132.00 138.44 2qsp h PRO 95 Ca -0.44 0.00 0.16 0.00 0.10 0.00 0.00 66.00 65.82 2qsp h PRO 95 Cb 1.21 0.00 -0.07 0.00 0.10 0.00 0.00 31.00 32.24 2qsp h PRO 95 CO 0.84 0.00 0.58 -0.24 0.10 0.00 0.00 178.00 179.28 2qsp h VAL 96 N 0.00 0.79 -0.01 3.15 3.04 -2.02 -2.25 116.25 118.95 2qsp h VAL 96 Ca 0.21 -0.21 -0.05 0.00 -1.01 0.00 0.00 66.70 65.64 2qsp h VAL 96 Cb 0.94 0.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.32 2qsp h VAL 96 CO -0.00 0.11 -0.22 0.78 -1.01 0.00 0.00 177.57 177.23 2qsp h ASN 97 N 0.62 0.01 0.14 3.17 4.21 -1.54 -1.52 115.58 120.68 2qsp h ASN 97 Ca 0.46 -0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.86 2qsp h ASN 97 Cb 0.84 -0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.03 2qsp h ASN 97 CO -0.21 0.23 -0.40 -0.26 -1.29 0.00 0.00 177.43 175.50 2qsp h PHE 98 N 0.01 0.40 -0.67 1.19 0.04 -1.55 -0.97 116.94 115.38 2qsp h PHE 98 Ca -0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 2qsp h PHE 98 Cb 0.40 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2qsp h PHE 98 CO 0.00 0.69 0.12 0.87 -0.60 0.00 0.00 178.31 179.39 2qsp h LYS 99 N 0.28 1.11 -0.30 1.51 1.57 -1.35 0.23 116.57 119.62 2qsp h LYS 99 Ca 0.03 -0.29 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 2qsp h LYS 99 Cb 0.83 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2qsp h LYS 99 CO 0.07 1.01 -0.07 -0.07 -0.57 0.00 0.00 179.45 179.81 2qsp h LEU 100 N 1.03 0.58 -0.89 2.94 3.38 -1.01 -0.73 115.31 120.61 2qsp h LEU 100 Ca 0.21 -0.36 -0.10 0.00 0.09 0.00 0.00 57.88 57.72 2qsp h LEU 100 Cb 0.43 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2qsp h LEU 100 CO 0.01 0.81 -0.21 0.25 0.09 0.00 0.00 178.44 179.39 2qsp h LEU 101 N 0.34 0.58 -0.35 1.67 5.85 -1.13 -1.33 115.31 120.95 2qsp h LEU 101 Ca 0.08 -0.19 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 2qsp h LEU 101 Cb 0.55 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2qsp h LEU 101 CO 0.03 0.79 0.03 0.28 -0.34 0.00 0.00 178.44 179.23 2qsp h SER 102 N 0.52 0.57 -0.62 1.25 0.02 -0.59 0.20 113.55 114.90 2qsp h SER 102 Ca 0.08 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 2qsp h SER 102 Cb 0.64 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2qsp h SER 102 CO 0.05 0.71 0.18 -0.74 -1.14 0.00 0.00 176.83 175.89 2qsp h HIS 103 N 0.41 1.04 -0.41 3.45 -0.00 -1.08 -1.49 115.15 117.07 2qsp h HIS 103 Ca 0.10 -0.10 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2qsp h HIS 103 Cb 0.40 -0.30 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 2qsp h HIS 103 CO 0.03 0.84 -0.10 0.77 -0.00 0.00 0.00 177.93 179.47 2qsp h SER 104 N 0.96 0.70 -0.45 3.26 0.02 -0.57 -0.88 113.55 116.61 2qsp h SER 104 Ca 0.21 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 60.85 2qsp h SER 104 Cb 0.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2qsp h SER 104 CO -0.00 0.84 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.32 2qsp h LEU 105 N 0.66 0.89 -0.85 5.07 3.38 -0.10 -2.14 115.31 122.21 2qsp h LEU 105 Ca 0.12 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.73 2qsp h LEU 105 Cb 0.55 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2qsp h LEU 105 CO 0.03 1.06 0.56 -0.07 0.09 0.00 0.00 178.44 180.11 2qsp h LEU 106 N 0.71 0.95 -0.24 1.67 3.38 -0.96 0.18 115.31 121.01 2qsp h LEU 106 Ca 0.11 -0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qsp h LEU 106 Cb 0.68 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2qsp h LEU 106 CO 0.05 0.68 0.03 0.58 0.09 0.00 0.00 178.44 179.87 2qsp h VAL 107 N 1.12 0.87 -0.41 1.22 2.07 -1.08 0.18 116.25 120.23 2qsp h VAL 107 Ca 0.32 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.76 2qsp h VAL 107 Cb -0.09 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2qsp h VAL 107 CO -0.08 0.02 0.09 0.74 0.02 0.00 0.00 177.57 178.36 2qsp h THR 108 N 0.12 1.23 -0.33 2.57 2.02 -0.90 -1.09 112.91 116.52 2qsp h THR 108 Ca 0.11 -0.81 -0.15 0.00 0.77 0.00 0.00 66.41 66.33 2qsp h THR 108 Cb 0.12 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 2qsp h THR 108 CO -0.16 0.28 -0.39 -0.07 0.37 0.00 0.00 175.52 175.56 2qsp h LEU 109 N 0.52 0.85 -0.79 2.58 3.38 -0.49 -2.28 115.31 119.07 2qsp h LEU 109 Ca 0.13 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 2qsp h LEU 109 Cb 0.33 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 2qsp h LEU 109 CO 0.00 1.13 0.34 0.00 0.09 0.00 0.00 178.44 180.01 2qsp h ALA 110 N 0.91 1.03 -0.66 1.53 0.00 -0.78 0.77 119.26 122.06 2qsp h ALA 110 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.80 2qsp h ALA 110 Cb 0.94 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 2qsp h ALA 110 CO 0.09 0.63 0.42 1.03 0.00 0.00 0.00 179.25 181.43 2qsp h SER 111 N 1.14 0.71 0.48 0.00 0.87 -0.93 -3.13 113.55 112.70 2qsp h SER 111 Ca 0.27 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 2qsp h SER 111 Cb 0.18 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 2qsp h SER 111 CO -0.03 0.51 -1.33 1.41 -0.53 0.00 0.00 176.83 176.86 2qsp n HIS 112 N -4.66 0.43 -2.80 2.24 -0.00 -0.88 -4.46 115.22 105.09 2qsp n HIS 112 Ca 0.06 0.12 -0.19 0.00 -0.00 0.00 0.00 57.72 57.72 2qsp n HIS 112 Cb 0.05 -0.64 -0.00 0.00 -0.00 0.00 0.00 29.99 29.40 2qsp n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qsp n LEU 113 N -2.30 2.57 0.27 2.41 7.99 0.25 -4.93 117.00 123.25 2qsp n LEU 113 Ca -0.01 -4.73 0.13 0.00 -0.01 0.00 0.00 56.01 51.39 2qsp n LEU 113 Cb 0.52 0.13 0.78 0.00 -0.11 0.00 0.00 43.42 44.74 2qsp n LEU 113 CO 0.42 2.04 1.04 1.55 -1.51 0.00 0.00 177.39 180.93 2qsp h PRO 114 N 2.90 0.00 0.00 3.23 0.13 -1.75 0.38 132.00 136.89 2qsp h PRO 114 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2qsp h PRO 114 Cb 0.95 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.08 2qsp h PRO 114 CO 0.64 0.07 -0.50 0.77 -0.23 0.00 0.00 178.00 178.74 2qsp h SER 115 N 0.00 0.00 0.00 1.44 0.02 -1.91 -3.27 113.55 109.82 2qsp h SER 115 Ca -0.00 -0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.78 2qsp h SER 115 Cb 0.16 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2qsp h SER 115 CO 0.01 0.07 -1.99 0.47 -1.14 0.00 0.00 176.83 174.25 2qsp n ASP 116 N -2.25 0.20 -3.68 3.07 8.00 -0.34 -4.75 116.55 116.81 2qsp n ASP 116 Ca 0.03 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.12 2qsp n ASP 116 Cb 0.45 1.88 -0.00 0.00 -0.02 0.00 0.00 41.12 43.43 2qsp n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qsp n PHE 117 N -2.27 2.90 -1.34 1.24 7.35 -0.02 -4.77 117.46 120.55 2qsp n PHE 117 Ca -0.06 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.46 2qsp n PHE 117 Cb 0.59 -2.11 0.12 0.00 0.35 0.00 0.00 39.48 38.44 2qsp n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2qsp s THR 118 N 0.79 2.81 0.23 -2.13 -4.23 -1.26 -4.73 115.64 107.11 2qsp s THR 118 Ca 0.48 0.26 -0.07 0.00 -1.18 0.00 0.00 61.69 61.19 2qsp s THR 118 Cb 0.14 -2.85 0.20 0.00 1.34 0.00 0.00 72.50 71.33 2qsp s THR 118 CO -0.05 -0.34 1.71 -0.65 -0.54 0.00 0.00 174.62 174.75 2qsp h PRO 119 N -1.37 0.32 -0.57 3.99 0.11 -1.99 0.39 132.00 132.87 2qsp h PRO 119 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 2qsp h PRO 119 Cb 1.28 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2qsp h PRO 119 CO 0.56 0.21 0.33 0.00 -0.21 0.00 0.00 178.00 178.90 2qsp h ALA 120 N 1.54 0.73 -0.32 -0.75 0.00 -1.97 -0.45 119.26 118.04 2qsp h ALA 120 Ca 0.38 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 55.04 2qsp h ALA 120 Cb 0.58 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2qsp h ALA 120 CO -0.43 0.22 -0.47 0.28 0.00 0.00 0.00 179.25 178.85 2qsp h VAL 121 N 0.77 1.28 -0.35 0.00 2.07 -1.77 -1.84 116.25 116.40 2qsp h VAL 121 Ca 0.20 -1.65 0.06 0.00 0.82 0.00 0.00 66.70 66.14 2qsp h VAL 121 Cb -0.00 1.56 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 2qsp h VAL 121 CO -0.04 0.54 0.01 -0.74 0.02 0.00 0.00 177.57 177.36 2qsp h HIS 122 N 0.67 -0.00 -0.73 1.57 6.17 -0.81 0.45 115.15 122.47 2qsp h HIS 122 Ca 0.03 0.03 -0.06 0.00 0.71 0.00 0.00 60.37 61.08 2qsp h HIS 122 Cb 1.07 0.06 -0.03 0.00 2.52 0.00 0.00 27.41 31.03 2qsp h HIS 122 CO 0.07 -0.06 0.23 0.00 0.71 0.00 0.00 177.93 178.89 2qsp h ALA 123 N 1.30 0.96 -0.35 5.26 0.00 -0.87 0.27 119.26 125.84 2qsp h ALA 123 Ca 0.17 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2qsp h ALA 123 Cb 0.23 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2qsp h ALA 123 CO -0.28 0.64 0.02 0.77 0.00 0.00 0.00 179.25 180.40 2qsp h SER 124 N 1.08 0.59 -0.73 0.00 0.02 -0.97 -1.34 113.55 112.21 2qsp h SER 124 Ca 0.24 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.83 2qsp h SER 124 Cb 0.30 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.65 2qsp h SER 124 CO -0.01 0.74 0.20 -0.07 -1.14 0.00 0.00 176.83 176.56 2qsp h LEU 125 N 0.43 1.08 -0.24 5.07 3.38 -0.48 -0.36 115.31 124.19 2qsp h LEU 125 Ca 0.10 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.91 2qsp h LEU 125 Cb 0.42 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2qsp h LEU 125 CO 0.01 1.02 -0.12 -0.78 0.09 0.00 0.00 178.44 178.66 2qsp h ASP 126 N 1.09 -0.40 -0.66 -0.43 3.58 -0.29 -0.87 116.42 118.44 2qsp h ASP 126 Ca 0.23 0.10 0.01 0.00 0.42 0.00 0.00 57.03 57.79 2qsp h ASP 126 Cb 0.34 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 2qsp h ASP 126 CO -0.00 -0.15 0.43 0.11 -2.88 0.00 0.00 179.24 176.74 2qsp h LYS 127 N -0.09 0.84 -0.15 0.28 1.57 -0.81 -1.29 116.57 116.91 2qsp h LYS 127 Ca 0.13 -0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 2qsp h LYS 127 Cb 0.28 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.38 2qsp h LYS 127 CO -0.30 0.56 -0.01 0.35 -0.57 0.00 0.00 179.45 179.48 2qsp h PHE 128 N 0.87 -0.03 -0.55 -1.35 3.57 -0.76 0.10 116.94 118.79 2qsp h PHE 128 Ca 0.25 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.69 2qsp h PHE 128 Cb -0.07 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 2qsp h PHE 128 CO -0.03 -0.04 0.04 -0.07 -2.23 0.00 0.00 178.31 175.98 2qsp h LEU 129 N 0.03 0.87 -0.97 0.59 3.38 -0.95 0.90 115.31 119.16 2qsp h LEU 129 Ca 0.07 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 2qsp h LEU 129 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 2qsp h LEU 129 CO -0.13 0.91 0.13 0.00 0.09 0.00 0.00 178.44 179.43 2qsp h ALA 130 N 1.19 1.16 -0.20 1.53 0.00 -0.90 0.23 119.26 122.27 2qsp h ALA 130 Ca 0.17 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2qsp h ALA 130 Cb 0.45 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qsp h ALA 130 CO 0.02 0.57 -0.20 -0.91 0.00 0.00 0.00 179.25 178.73 2qsp h ASN 131 N 0.84 0.52 -0.35 0.00 4.21 -0.04 0.96 115.58 121.72 2qsp h ASN 131 Ca 0.18 -0.48 0.06 0.00 1.21 0.00 0.00 56.30 57.28 2qsp h ASN 131 Cb 0.32 -0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 37.32 2qsp h ASN 131 CO 0.00 0.89 -0.01 0.58 -1.29 0.00 0.00 177.43 177.59 2qsp h VAL 132 N 0.16 0.73 -0.54 2.81 2.07 -0.71 -2.27 116.25 118.49 2qsp h VAL 132 Ca 0.03 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2qsp h VAL 132 Cb 0.74 0.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2qsp h VAL 132 CO 0.05 0.01 0.29 0.28 0.02 0.00 0.00 177.57 178.22 2qsp h SER 133 N 0.08 0.42 -0.56 0.57 0.02 -0.32 -0.90 113.55 112.87 2qsp h SER 133 Ca 0.17 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 61.22 2qsp h SER 133 Cb 0.24 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.66 2qsp h SER 133 CO -0.30 0.29 0.22 0.74 -1.14 0.00 0.00 176.83 176.64 2qsp h THR 134 N 0.55 0.82 -0.11 -2.27 2.02 -0.57 -1.63 112.91 111.72 2qsp h THR 134 Ca 0.24 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2qsp h THR 134 Cb 0.12 0.37 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2qsp h THR 134 CO -0.15 0.08 0.05 0.58 0.37 0.00 0.00 175.52 176.44 2qsp h VAL 135 N 0.41 1.14 0.00 3.16 2.07 -0.99 -2.33 116.25 119.71 2qsp h VAL 135 Ca 0.27 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2qsp h VAL 135 Cb 0.30 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2qsp h VAL 135 CO -0.26 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 177.38 2qsp h LEU 136 N 0.04 0.00 -3.04 2.57 3.38 -0.80 -1.73 115.31 115.73 2qsp h LEU 136 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2qsp h LEU 136 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2qsp h LEU 136 CO -0.00 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.88 2qsp n THR 137 N -2.31 1.54 1.09 0.22 -2.24 -0.65 -3.69 114.28 108.24 2qsp n THR 137 Ca 0.01 -1.33 0.12 0.00 -2.27 0.00 0.00 64.05 60.59 2qsp n THR 137 Cb 0.17 0.20 0.31 0.00 -2.10 0.00 0.00 70.33 68.91 2qsp n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2qsp n SER 138 N 0.25 0.63 -1.19 3.42 3.41 -0.65 -4.25 113.62 115.24 2qsp n SER 138 Ca 0.17 -0.42 -0.05 0.00 -0.26 0.00 0.00 58.87 58.31 2qsp n SER 138 Cb 0.64 0.18 0.20 0.00 -0.26 0.00 0.00 64.21 64.97 2qsp n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2qsp n LYS 139 N -1.24 1.87 -0.24 4.33 5.02 -1.26 -4.62 118.16 122.02 2qsp n LYS 139 Ca 0.08 -3.18 -0.03 0.00 -2.02 0.00 0.00 58.31 53.16 2qsp n LYS 139 Cb 0.34 -1.83 0.16 0.00 -0.02 0.00 0.00 35.03 33.68 2qsp n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2qsp h TYR 140 N 1.02 1.05 0.00 2.13 0.05 -1.76 -3.29 116.97 116.17 2qsp h TYR 140 Ca 0.23 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.97 2qsp h TYR 140 Cb 1.69 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 39.10 2qsp h TYR 140 CO 1.05 0.75 0.00 0.54 -1.05 0.00 0.00 178.16 179.45