#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qjk n THR 10 N 0.00 2.57 -0.04 2.61 -1.04 -1.26 -3.97 114.28 113.15 2qjk n THR 10 Ca 0.00 -1.38 -0.07 0.00 -2.04 0.00 0.00 64.05 60.56 2qjk n THR 10 Cb 0.00 -0.43 -0.06 0.00 -1.82 0.00 0.00 70.33 68.01 2qjk n THR 10 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 2qjk h ARG 11 N 2.13 -0.04 -0.04 -2.82 3.08 -2.05 -2.40 114.38 112.24 2qjk h ARG 11 Ca 0.26 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.09 2qjk h ARG 11 Cb 2.14 0.01 0.02 0.00 0.08 0.00 0.00 29.97 32.22 2qjk h ARG 11 CO 0.66 0.42 -0.85 0.07 -1.07 0.00 0.00 179.97 179.20 2qjk h ARG 12 N -0.99 0.65 -0.72 0.04 0.11 -2.01 -3.18 114.38 108.29 2qjk h ARG 12 Ca -0.00 -0.64 0.03 0.00 0.10 0.00 0.00 59.98 59.47 2qjk h ARG 12 Cb 0.47 0.17 -0.04 0.00 1.11 0.00 0.00 29.97 31.68 2qjk h ARG 12 CO 0.01 1.24 0.48 0.22 0.10 0.00 0.00 179.97 182.02 2qjk h ASP 13 N 0.30 0.76 0.68 0.08 3.58 -1.71 -0.19 116.42 119.91 2qjk h ASP 13 Ca -0.09 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 2qjk h ASP 13 Cb 1.51 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.38 2qjk h ASP 13 CO 0.17 0.52 -0.38 0.15 -2.88 0.00 0.00 179.24 176.82 2qjk h PHE 14 N 0.88 -1.01 -0.42 0.28 3.57 -1.44 -1.25 116.94 117.55 2qjk h PHE 14 Ca 0.29 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.85 2qjk h PHE 14 Cb 0.05 0.35 -0.09 0.00 2.79 0.00 0.00 35.95 39.05 2qjk h PHE 14 CO -0.00 -0.59 -0.38 1.25 -2.23 0.00 0.00 178.31 176.36 2qjk h LEU 15 N -0.99 -1.25 -1.19 0.59 5.85 -1.36 0.36 115.31 117.32 2qjk h LEU 15 Ca -0.09 0.21 0.21 0.00 0.84 0.00 0.00 57.88 59.05 2qjk h LEU 15 Cb 0.78 0.57 -0.09 0.00 0.37 0.00 0.00 40.66 42.29 2qjk h LEU 15 CO 0.11 -0.34 0.62 1.88 -0.34 0.00 0.00 178.44 180.37 2qjk h TYR 16 N -0.28 0.87 0.00 1.25 -1.99 -0.87 0.30 116.97 116.24 2qjk h TYR 16 Ca 0.16 0.03 -0.10 0.00 2.00 0.00 0.00 58.73 60.82 2qjk h TYR 16 Cb 0.56 -0.26 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 2qjk h TYR 16 CO -0.59 0.18 -0.75 1.88 -0.00 0.00 0.00 178.16 178.88 2qjk h TYR 17 N 0.61 0.00 0.00 4.88 0.05 0.32 -2.31 116.97 120.52 2qjk h TYR 17 Ca 0.56 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 59.14 2qjk h TYR 17 Cb 1.08 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.81 2qjk h TYR 17 CO -0.00 0.43 -0.88 0.00 -1.05 0.00 0.00 178.16 176.66 2qjk h ALA 18 N 1.57 0.51 0.18 3.88 0.00 0.15 -2.79 119.26 122.75 2qjk h ALA 18 Ca -0.05 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 54.13 2qjk h ALA 18 Cb 1.37 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2qjk h ALA 18 CO 0.05 0.90 -0.08 1.15 0.00 0.00 0.00 179.25 181.27 2qjk h THR 19 N 0.12 0.00 -1.37 0.00 2.02 -0.53 -2.60 112.91 110.55 2qjk h THR 19 Ca -0.05 -0.14 0.40 0.00 0.77 0.00 0.00 66.41 67.38 2qjk h THR 19 Cb 1.51 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.86 2qjk h THR 19 CO 0.14 0.00 0.98 0.00 0.37 0.00 0.00 175.52 177.00 2qjk h ALA 20 N -1.75 3.25 0.65 6.16 0.00 -1.54 0.77 119.26 126.80 2qjk h ALA 20 Ca -0.02 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 2qjk h ALA 20 Cb 0.18 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2qjk h ALA 20 CO 0.04 -1.66 -0.31 0.78 0.00 0.00 0.00 179.25 178.10 2qjk h GLY 21 N 0.02 -0.91 0.62 0.00 0.00 -1.42 -1.88 103.07 99.49 2qjk h GLY 21 Ca 0.66 0.34 0.09 0.00 0.00 0.00 0.00 47.33 48.41 2qjk h GLY 21 CO -0.03 -0.33 0.60 0.00 0.00 0.00 0.00 176.54 176.78 2qjk h ALA 22 N -0.79 1.37 0.02 3.60 0.00 -0.50 -2.15 119.26 120.81 2qjk h ALA 22 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.83 2qjk h ALA 22 Cb 0.71 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2qjk h ALA 22 CO 0.15 0.30 -0.24 0.78 0.00 0.00 0.00 179.25 180.23 2qjk h GLY 23 N 1.03 -1.25 -0.56 0.00 0.00 -1.05 -1.45 103.07 99.79 2qjk h GLY 23 Ca 0.44 0.61 0.14 0.00 0.00 0.00 0.00 47.33 48.52 2qjk h GLY 23 CO -0.21 -0.39 -0.26 0.00 0.00 0.00 0.00 176.54 175.67 2qjk h ALA 24 N -1.05 0.30 -0.43 3.60 0.00 -0.98 -0.11 119.26 120.59 2qjk h ALA 24 Ca 0.00 0.26 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2qjk h ALA 24 Cb 0.33 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.72 2qjk h ALA 24 CO -0.15 -0.52 -0.46 0.28 0.00 0.00 0.00 179.25 178.40 2qjk h VAL 25 N -0.05 0.08 0.45 0.00 2.07 -0.83 -1.00 116.25 116.97 2qjk h VAL 25 Ca 0.32 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.83 2qjk h VAL 25 Cb 0.57 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2qjk h VAL 25 CO -0.78 0.00 -0.37 0.00 0.02 0.00 0.00 177.57 176.44 2qjk h ALA 26 N 0.33 -1.10 -0.68 1.67 0.00 -0.22 -1.57 119.26 117.70 2qjk h ALA 26 Ca 0.13 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 55.01 2qjk h ALA 26 Cb 0.59 0.56 -0.13 0.00 0.00 0.00 0.00 17.79 18.81 2qjk h ALA 26 CO -0.60 -1.10 -0.18 2.41 0.00 0.00 0.00 179.25 179.78 2qjk n THR 27 N -4.68 -0.29 -0.16 0.00 -1.04 -0.16 0.15 114.28 108.09 2qjk n THR 27 Ca -0.10 1.55 -0.11 0.00 -2.04 0.00 0.00 64.05 63.35 2qjk n THR 27 Cb 0.35 -2.14 -0.01 0.00 -1.82 0.00 0.00 70.33 66.72 2qjk n THR 27 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 2qjk h GLY 28 N 0.00 1.00 1.09 3.41 0.00 -0.87 -1.75 103.07 105.95 2qjk h GLY 28 Ca 0.32 -0.86 0.09 0.00 0.00 0.00 0.00 47.33 46.88 2qjk h GLY 28 CO -0.69 0.78 0.37 0.00 0.00 0.00 0.00 176.54 177.00 2qjk h ALA 29 N 0.87 1.98 0.00 3.60 0.00 0.23 0.96 119.26 126.89 2qjk h ALA 29 Ca 0.11 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 2qjk h ALA 29 Cb 0.72 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2qjk h ALA 29 CO 0.05 -0.53 -0.06 0.00 0.00 0.00 0.00 179.25 178.71 2qjk h ALA 30 N 1.57 0.01 -0.53 0.00 0.00 -0.80 -3.39 119.26 116.12 2qjk h ALA 30 Ca 0.15 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.02 2qjk h ALA 30 Cb 0.88 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.62 2qjk h ALA 30 CO -0.00 0.05 -0.19 0.28 0.00 0.00 0.00 179.25 179.39 2qjk h VAL 31 N -1.00 0.38 -0.26 0.00 2.07 -0.40 -3.04 116.25 113.99 2qjk h VAL 31 Ca -0.01 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.54 2qjk h VAL 31 Cb 0.23 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.34 2qjk h VAL 31 CO -0.00 0.00 -0.26 -0.25 0.02 0.00 0.00 177.57 177.08 2qjk h TRP 32 N -0.07 -0.80 -0.33 1.57 -0.00 -1.04 -1.26 115.95 114.02 2qjk h TRP 32 Ca 0.25 0.04 0.10 0.00 -0.00 0.00 0.00 58.89 59.28 2qjk h TRP 32 Cb 0.45 0.38 -0.01 0.00 -0.00 0.00 0.00 29.16 29.98 2qjk h TRP 32 CO -0.49 -0.21 0.26 -1.00 -0.00 0.00 0.00 178.44 177.01 2qjk h PRO 33 N -0.13 0.00 0.00 2.65 0.13 -1.73 0.72 132.00 133.64 2qjk h PRO 33 Ca 0.04 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.11 2qjk h PRO 33 Cb 0.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.37 2qjk h PRO 33 CO -0.32 0.00 -0.29 -0.07 -0.23 0.00 0.00 178.00 177.09 2qjk h LEU 34 N 0.00 0.00 0.00 1.56 3.38 -1.15 -1.97 115.31 117.13 2qjk h LEU 34 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2qjk h LEU 34 Cb 0.68 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 2qjk h LEU 34 CO -0.00 0.29 -0.74 0.40 0.09 0.00 0.00 178.44 178.48 2qjk h ILE 35 N 0.00 0.65 -0.85 1.22 2.04 0.64 -3.39 117.51 117.82 2qjk h ILE 35 Ca -0.00 -1.71 0.18 0.00 1.00 0.00 0.00 64.86 64.33 2qjk h ILE 35 Cb 0.57 1.45 -0.06 0.00 -0.74 0.00 0.00 36.82 38.04 2qjk h ILE 35 CO 0.04 0.22 0.56 -1.13 0.00 0.00 0.00 178.15 177.84 2qjk h ASN 36 N -1.00 0.39 -0.82 1.72 -0.00 0.18 -1.16 115.58 114.89 2qjk h ASN 36 Ca -0.16 0.03 0.24 0.00 -0.00 0.00 0.00 56.30 56.41 2qjk h ASN 36 Cb 0.89 -0.04 -0.03 0.00 -0.00 0.00 0.00 38.32 39.13 2qjk h ASN 36 CO -0.10 0.17 0.70 0.06 -0.00 0.00 0.00 177.43 178.26 2qjk h GLN 37 N 0.40 0.00 0.00 6.67 -0.00 -1.54 0.53 115.11 121.16 2qjk h GLN 37 Ca 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.08 2qjk h GLN 37 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.55 2qjk h GLN 37 CO -0.15 0.00 0.00 0.52 -0.00 0.00 0.00 178.83 179.20 2qjk h MET 38 N 0.00 0.00 -7.29 0.06 2.86 -1.46 -3.46 114.93 105.64 2qjk h MET 38 Ca 0.39 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 57.54 2qjk h MET 38 Cb 1.78 0.00 0.16 0.00 0.06 0.00 0.00 31.60 33.60 2qjk h MET 38 CO -0.00 0.00 0.22 -0.80 1.06 0.00 0.00 176.91 177.39 2qjk s ASN 39 N -5.50 3.18 -0.10 1.22 0.02 0.19 -4.85 114.94 109.09 2qjk s ASN 39 Ca 0.06 1.67 -0.38 0.00 -1.02 0.00 0.00 52.86 53.19 2qjk s ASN 39 Cb 0.08 -2.31 -0.16 0.00 0.02 0.00 0.00 41.25 38.88 2qjk s ASN 39 CO 0.59 -2.85 1.59 -2.65 0.02 0.00 0.00 177.10 173.80 2qjk n PRO 40 N -4.04 1.26 -1.60 -0.60 -0.02 -1.26 -4.94 135.00 123.79 2qjk n PRO 40 Ca 0.08 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.69 2qjk n PRO 40 Cb 0.54 -2.14 0.06 0.00 -0.02 0.00 0.00 33.50 31.94 2qjk n PRO 40 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qjk s SER 41 N 2.26 4.92 0.22 2.55 1.04 -1.26 -4.90 113.70 118.53 2qjk s SER 41 Ca 0.92 1.94 0.12 0.00 0.48 0.00 0.00 55.95 59.41 2qjk s SER 41 Cb -0.98 -2.54 0.68 0.00 0.10 0.00 0.00 66.02 63.27 2qjk s SER 41 CO 0.56 -1.75 1.32 0.00 0.98 0.00 0.00 173.24 174.35 2qjk n ALA 42 N -2.76 0.86 0.30 5.32 0.00 -1.26 -2.22 120.51 120.74 2qjk n ALA 42 Ca 0.10 0.12 0.12 0.00 0.00 0.00 0.00 53.44 53.78 2qjk n ALA 42 Cb 0.52 -1.01 0.16 0.00 0.00 0.00 0.00 19.45 19.12 2qjk n ALA 42 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qjk h ASP 43 N 0.00 0.00 0.15 0.00 2.03 -2.02 -3.41 116.42 113.18 2qjk h ASP 43 Ca 0.00 -0.03 -0.25 0.00 -0.73 0.00 0.00 57.03 56.01 2qjk h ASP 43 Cb 0.22 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 38.75 2qjk h ASP 43 CO 0.00 0.02 -1.08 0.58 -1.03 0.00 0.00 179.24 177.73 2qjk h VAL 44 N 0.00 1.38 0.00 4.15 2.07 -1.82 -3.40 116.25 118.64 2qjk h VAL 44 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 2qjk h VAL 44 Cb 0.92 2.96 0.00 0.00 -1.52 0.00 0.00 31.29 33.65 2qjk h VAL 44 CO 0.00 0.74 0.00 0.00 0.02 0.00 0.00 177.57 178.33 2qjk n GLN 45 N -3.94 0.00 -2.71 1.57 6.02 -1.26 -4.48 117.38 112.57 2qjk n GLN 45 Ca -0.14 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.42 2qjk n GLN 45 Cb 0.92 -0.86 0.01 0.00 1.02 0.00 0.00 30.24 31.33 2qjk n GLN 45 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qjk n ALA 46 N 0.41 5.24 -2.01 -1.58 0.00 -1.26 -4.97 120.51 116.33 2qjk n ALA 46 Ca 0.00 -4.58 -0.36 0.00 0.00 0.00 0.00 53.44 48.50 2qjk n ALA 46 Cb 0.00 -2.64 -0.03 0.00 0.00 0.00 0.00 19.45 16.78 2qjk n ALA 46 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qjk s LEU 47 N -1.55 3.27 0.00 0.00 0.20 -1.26 -4.97 118.68 114.37 2qjk s LEU 47 Ca 0.35 0.18 0.00 0.00 0.69 0.00 0.00 54.13 55.35 2qjk s LEU 47 Cb 0.07 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.29 2qjk s LEU 47 CO 0.06 -2.49 0.00 0.00 -0.29 0.00 0.00 176.35 173.63 2qjk n ALA 48 N 13.20 0.00 -3.46 5.97 0.00 -1.26 -5.10 120.51 129.86 2qjk n ALA 48 Ca 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 2qjk n ALA 48 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 2qjk n ALA 48 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2qjk s SER 49 N -1.00 -0.33 0.61 0.00 0.01 -1.26 -4.87 113.70 106.85 2qjk s SER 49 Ca 0.00 0.75 0.03 0.00 1.31 0.00 0.00 55.95 58.04 2qjk s SER 49 Cb 0.00 1.48 0.08 0.00 0.21 0.00 0.00 66.02 67.79 2qjk s SER 49 CO 0.00 -0.26 0.84 0.27 0.41 0.00 0.00 173.24 174.50 2qjk s ILE 50 N 2.65 2.40 -0.03 1.44 -4.36 -1.02 -4.96 121.20 117.33 2qjk s ILE 50 Ca 0.07 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.75 2qjk s ILE 50 Cb -0.14 -2.66 -0.00 0.00 1.25 0.00 0.00 42.46 40.91 2qjk s ILE 50 CO -0.16 0.00 -0.12 -0.36 0.24 0.00 0.00 174.94 174.54 2qjk s PHE 51 N -2.84 1.17 -0.17 1.37 0.40 -1.26 -2.81 117.98 113.84 2qjk s PHE 51 Ca 0.61 -0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.66 2qjk s PHE 51 Cb -0.07 -0.80 0.02 0.00 0.51 0.00 0.00 43.02 42.68 2qjk s PHE 51 CO 0.40 -0.09 -0.17 0.08 0.70 0.00 0.00 175.22 176.14 2qjk s VAL 52 N 0.02 1.80 -0.13 -0.44 1.01 -0.43 -4.98 120.40 117.26 2qjk s VAL 52 Ca -0.01 -0.80 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 2qjk s VAL 52 Cb -0.08 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2qjk s VAL 52 CO 0.01 0.48 1.03 -0.62 0.00 0.00 0.00 175.10 175.99 2qjk s ASP 53 N 1.39 7.20 -0.14 3.32 2.15 -1.26 -1.99 116.67 127.34 2qjk s ASP 53 Ca 0.05 1.52 0.19 0.00 0.43 0.00 0.00 52.55 54.73 2qjk s ASP 53 Cb -0.13 -2.55 0.34 0.00 -0.30 0.00 0.00 42.92 40.27 2qjk s ASP 53 CO -0.12 -0.50 1.20 0.55 -0.17 0.00 0.00 175.17 176.13 2qjk n VAL 54 N 4.72 1.97 -0.28 1.11 3.14 -0.54 -4.76 118.33 123.69 2qjk n VAL 54 Ca 0.10 -2.20 -0.06 0.00 -2.96 0.00 0.00 64.34 59.21 2qjk n VAL 54 Cb 0.48 -0.24 0.06 0.00 -1.06 0.00 0.00 33.84 33.07 2qjk n VAL 54 CO 0.00 0.00 0.00 0.77 -6.46 0.00 0.00 176.83 171.14 2qjk h SER 55 N 0.34 1.08 0.00 6.55 4.64 -1.91 -2.93 113.55 121.32 2qjk h SER 55 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 2qjk h SER 55 Cb 1.08 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2qjk h SER 55 CO 0.04 0.97 0.00 -1.54 -0.87 0.00 0.00 176.83 175.43 2qjk n SER 56 N -4.28 1.23 -4.30 4.97 3.41 -1.26 -4.75 113.62 108.64 2qjk n SER 56 Ca 0.06 -1.98 -0.40 0.00 -0.26 0.00 0.00 58.87 56.29 2qjk n SER 56 Cb 0.20 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.56 2qjk n SER 56 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qjk s VAL 57 N -0.88 4.35 0.78 -3.33 1.01 -1.11 -5.07 120.40 116.16 2qjk s VAL 57 Ca 0.00 -1.26 -0.11 0.00 0.00 0.00 0.00 61.98 60.61 2qjk s VAL 57 Cb 0.00 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.84 2qjk s VAL 57 CO 0.00 -0.45 1.15 -1.61 0.00 0.00 0.00 175.10 174.19 2qjk s GLU 58 N 1.47 2.13 0.36 2.72 8.01 -1.26 -4.98 118.70 127.14 2qjk s GLU 58 Ca 0.03 0.13 -0.26 0.00 0.01 0.00 0.00 54.97 54.88 2qjk s GLU 58 Cb -0.22 -1.99 -0.09 0.00 -4.31 0.00 0.00 34.13 27.52 2qjk s GLU 58 CO 0.03 -1.47 1.05 -1.25 0.01 0.00 0.00 175.26 173.64 2qjk s PRO 59 N -5.51 4.32 0.00 0.39 0.04 -1.26 -3.18 135.00 129.81 2qjk s PRO 59 Ca 0.61 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.22 2qjk s PRO 59 Cb -0.11 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.70 2qjk s PRO 59 CO 0.49 -0.01 0.00 0.41 0.04 0.00 0.00 177.00 177.93 2qjk n GLY 60 N 0.58 0.90 3.31 0.56 0.00 0.21 -4.90 105.19 105.86 2qjk n GLY 60 Ca 0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 2qjk n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjk s VAL 61 N -2.00 2.22 -0.05 1.61 1.01 -1.19 -4.98 120.40 117.02 2qjk s VAL 61 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 61.98 60.95 2qjk s VAL 61 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2qjk s VAL 61 CO 0.00 0.57 0.03 -1.58 0.00 0.00 0.00 175.10 174.12 2qjk s GLN 62 N -0.33 2.97 -0.26 2.72 0.74 -1.26 -1.86 119.66 122.39 2qjk s GLN 62 Ca 0.02 -0.46 -0.02 0.00 0.05 0.00 0.00 55.36 54.95 2qjk s GLN 62 Cb -0.12 -2.80 0.03 0.00 1.10 0.00 0.00 33.01 31.22 2qjk s GLN 62 CO 0.02 0.68 -0.05 -1.17 -0.55 0.00 0.00 175.29 174.22 2qjk s LEU 63 N -1.25 3.29 -0.24 3.68 2.96 0.20 -4.93 118.68 122.39 2qjk s LEU 63 Ca 0.17 -0.92 -0.10 0.00 -0.22 0.00 0.00 54.13 53.06 2qjk s LEU 63 Cb -0.12 -1.67 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 2qjk s LEU 63 CO 0.07 -0.14 0.14 -0.89 -1.32 0.00 0.00 176.35 174.20 2qjk s THR 64 N 1.32 5.10 0.05 3.68 2.01 -1.26 -1.58 115.64 124.96 2qjk s THR 64 Ca -0.01 0.09 0.06 0.00 0.31 0.00 0.00 61.69 62.15 2qjk s THR 64 Cb -0.17 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 2qjk s THR 64 CO -0.04 0.34 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.38 2qjk s VAL 65 N 1.19 1.32 0.19 3.82 1.01 -0.76 -4.94 120.40 122.24 2qjk s VAL 65 Ca 0.07 -1.18 -0.12 0.00 0.00 0.00 0.00 61.98 60.74 2qjk s VAL 65 Cb -0.14 -1.20 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 2qjk s VAL 65 CO 0.05 0.00 0.56 -0.75 0.00 0.00 0.00 175.10 174.96 2qjk s LYS 66 N -1.36 3.91 -0.29 2.72 2.20 -1.26 -0.07 119.74 125.59 2qjk s LYS 66 Ca 0.03 0.41 -0.16 0.00 -0.36 0.00 0.00 55.97 55.90 2qjk s LYS 66 Cb -0.09 -2.79 0.12 0.00 -1.51 0.00 0.00 37.83 33.57 2qjk s LYS 66 CO 0.02 0.40 0.87 0.12 -0.36 0.00 0.00 175.35 176.39 2qjk s PHE 67 N -1.63 -0.78 -1.18 4.03 5.36 -0.52 -4.89 117.98 118.36 2qjk s PHE 67 Ca 0.43 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.93 2qjk s PHE 67 Cb -0.13 0.46 0.00 0.00 -0.34 0.00 0.00 43.02 43.01 2qjk s PHE 67 CO 0.20 -0.38 0.00 1.28 -1.46 0.00 0.00 175.22 174.85 2qjk n LEU 68 N 4.04 -1.28 0.00 6.12 4.77 -1.26 -1.13 117.00 128.26 2qjk n LEU 68 Ca -0.18 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2qjk n LEU 68 Cb 0.58 -2.28 0.00 0.00 -2.33 0.00 0.00 43.42 39.38 2qjk n LEU 68 CO 0.00 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 2qjk n GLY 69 N -0.83 1.79 3.44 -0.72 0.00 -1.26 -5.01 105.19 102.59 2qjk n GLY 69 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 2qjk n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qjk s LYS 70 N -0.03 1.58 0.65 1.61 1.02 -0.29 -5.09 119.74 119.20 2qjk s LYS 70 Ca 0.00 -1.75 -0.14 0.00 0.02 0.00 0.00 55.97 54.10 2qjk s LYS 70 Cb 0.00 -1.46 -0.01 0.00 -0.52 0.00 0.00 37.83 35.84 2qjk s LYS 70 CO 0.00 0.21 1.07 -1.25 -0.92 0.00 0.00 175.35 174.45 2qjk s PRO 71 N -3.60 3.02 -0.05 -1.68 0.04 -1.26 -1.44 135.00 130.02 2qjk s PRO 71 Ca 0.28 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 2qjk s PRO 71 Cb -0.01 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2qjk s PRO 71 CO 0.12 -1.05 0.02 0.42 0.04 0.00 0.00 177.00 176.56 2qjk s ILE 72 N -2.66 0.13 0.03 0.56 1.01 0.91 -2.22 121.20 118.95 2qjk s ILE 72 Ca 0.62 0.23 -0.21 0.00 0.00 0.00 0.00 60.65 61.29 2qjk s ILE 72 Cb -0.16 -0.30 -0.06 0.00 0.01 0.00 0.00 42.46 41.95 2qjk s ILE 72 CO 0.45 0.19 0.60 -0.36 0.00 0.00 0.00 174.94 175.82 2qjk s PHE 73 N 1.75 3.74 -0.31 3.97 0.08 0.11 -1.84 117.98 125.48 2qjk s PHE 73 Ca 0.00 1.26 -0.02 0.00 0.12 0.00 0.00 56.93 58.29 2qjk s PHE 73 Cb -0.13 -2.59 0.10 0.00 -0.57 0.00 0.00 43.02 39.84 2qjk s PHE 73 CO -0.03 0.44 0.12 0.42 -0.10 0.00 0.00 175.22 176.07 2qjk s ILE 74 N -0.55 0.53 -0.10 0.64 1.01 -0.62 -1.53 121.20 120.59 2qjk s ILE 74 Ca 0.31 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.69 2qjk s ILE 74 Cb -0.19 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2qjk s ILE 74 CO 0.18 -0.73 -0.05 -0.60 0.00 0.00 0.00 174.94 173.75 2qjk s ARG 75 N 1.68 3.07 -0.49 2.79 3.52 -0.40 0.61 118.95 129.73 2qjk s ARG 75 Ca 0.10 -0.51 -0.14 0.00 -0.13 0.00 0.00 55.73 55.05 2qjk s ARG 75 Cb -0.18 -2.72 0.10 0.00 -1.56 0.00 0.00 34.95 30.59 2qjk s ARG 75 CO -0.26 0.55 0.41 0.50 -0.81 0.00 0.00 175.30 175.68 2qjk s ARG 76 N -0.48 2.85 0.58 5.12 3.52 -0.78 -1.51 118.95 128.26 2qjk s ARG 76 Ca 0.07 -1.57 -0.19 0.00 -0.13 0.00 0.00 55.73 53.92 2qjk s ARG 76 Cb -0.12 -4.11 -0.04 0.00 -1.56 0.00 0.00 34.95 29.12 2qjk s ARG 76 CO 0.02 -1.16 1.17 1.03 -0.81 0.00 0.00 175.30 175.55 2qjk s ARG 77 N 1.55 3.07 0.83 5.12 0.52 0.17 0.64 118.95 130.86 2qjk s ARG 77 Ca 0.04 1.70 -0.09 0.00 -0.52 0.00 0.00 55.73 56.86 2qjk s ARG 77 Cb -0.27 -1.96 0.14 0.00 0.52 0.00 0.00 34.95 33.39 2qjk s ARG 77 CO 0.03 -1.09 1.15 0.95 0.02 0.00 0.00 175.30 176.36 2qjk s THR 78 N -1.74 2.10 0.04 0.02 -4.23 -1.26 -4.52 115.64 106.04 2qjk s THR 78 Ca 0.75 -0.25 -0.22 0.00 -1.18 0.00 0.00 61.69 60.78 2qjk s THR 78 Cb -0.27 -2.85 -0.15 0.00 1.34 0.00 0.00 72.50 70.58 2qjk s THR 78 CO 0.32 0.00 1.41 -0.33 -0.54 0.00 0.00 174.62 175.48 2qjk h GLU 79 N -1.05 0.21 -0.85 3.99 5.08 -1.98 -0.61 114.58 119.37 2qjk h GLU 79 Ca -0.42 -0.08 0.20 0.00 -1.00 0.00 0.00 59.36 58.06 2qjk h GLU 79 Cb 1.26 -0.01 -0.15 0.00 0.50 0.00 0.00 28.75 30.35 2qjk h GLU 79 CO 0.44 0.52 -0.04 0.00 -1.00 0.00 0.00 179.01 178.93 2qjk h ALA 80 N 0.68 0.84 0.55 3.43 0.00 -1.99 0.62 119.26 123.39 2qjk h ALA 80 Ca 0.03 0.29 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2qjk h ALA 80 Cb 0.45 0.52 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2qjk h ALA 80 CO 0.01 -0.45 -0.26 -0.44 0.00 0.00 0.00 179.25 178.10 2qjk h ASP 81 N 0.05 -0.63 -0.55 0.00 3.32 -1.84 -2.92 116.42 113.86 2qjk h ASP 81 Ca 0.46 -0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.56 2qjk h ASP 81 Cb 0.84 0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.52 2qjk h ASP 81 CO -0.79 -0.33 0.37 0.40 -1.72 0.00 0.00 179.24 177.16 2qjk h ILE 82 N -0.91 0.92 0.00 0.35 2.04 0.66 -2.65 117.51 117.92 2qjk h ILE 82 Ca -0.08 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2qjk h ILE 82 Cb 0.63 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2qjk h ILE 82 CO 0.12 0.07 0.00 1.21 0.00 0.00 0.00 178.15 179.56 2qjk n GLU 83 N -4.47 0.00 -0.30 2.37 4.07 0.19 -2.66 120.64 119.85 2qjk n GLU 83 Ca 0.08 0.25 0.24 0.00 -0.06 0.00 0.00 57.16 57.67 2qjk n GLU 83 Cb 0.32 -1.19 0.44 0.00 -0.06 0.00 0.00 31.44 30.95 2qjk n GLU 83 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2qjk n LEU 84 N -1.16 0.17 -0.19 4.31 4.32 -1.12 0.06 117.00 123.40 2qjk n LEU 84 Ca 0.00 1.53 -0.02 0.00 -0.02 0.00 0.00 56.01 57.50 2qjk n LEU 84 Cb 0.00 -0.68 0.08 0.00 -1.62 0.00 0.00 43.42 41.20 2qjk n LEU 84 CO 0.00 -1.65 1.00 1.23 -1.22 0.00 0.00 177.39 176.75 2qjk h GLY 85 N 0.00 0.78 2.00 -0.72 0.00 -1.40 -1.25 103.07 102.49 2qjk h GLY 85 Ca 0.70 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.88 2qjk h GLY 85 CO -0.76 0.04 0.00 0.54 0.00 0.00 0.00 176.54 176.37 2qjk n ARG 86 N -4.94 0.20 -0.13 4.80 1.74 0.11 -2.91 116.66 115.53 2qjk n ARG 86 Ca 0.07 0.17 0.06 0.00 -0.77 0.00 0.00 57.85 57.37 2qjk n ARG 86 Cb 0.21 -1.74 0.17 0.00 -1.02 0.00 0.00 32.46 30.09 2qjk n ARG 86 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qjk n SER 87 N -2.09 1.46 -4.37 0.55 3.41 -0.49 -4.77 113.62 107.32 2qjk n SER 87 Ca 0.06 -1.94 -0.34 0.00 -0.26 0.00 0.00 58.87 56.39 2qjk n SER 87 Cb 0.41 -0.17 -0.14 0.00 -0.26 0.00 0.00 64.21 64.05 2qjk n SER 87 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2qjk s VAL 88 N -1.66 3.36 0.09 -3.33 1.01 -1.11 -5.02 120.40 113.74 2qjk s VAL 88 Ca 0.21 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.43 2qjk s VAL 88 Cb 0.11 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.94 2qjk s VAL 88 CO 0.15 0.47 0.72 -1.10 0.00 0.00 0.00 175.10 175.34 2qjk s GLN 89 N 0.87 4.46 0.51 2.72 -1.52 -1.26 -4.87 119.66 120.58 2qjk s GLN 89 Ca -0.02 1.01 0.44 0.00 -1.95 0.00 0.00 55.36 54.84 2qjk s GLN 89 Cb -0.15 -3.30 1.65 0.00 -0.22 0.00 0.00 33.01 30.99 2qjk s GLN 89 CO 0.01 0.46 1.56 -0.11 -0.25 0.00 0.00 175.29 176.96 2qjk n LEU 90 N 2.17 0.08 -0.17 2.90 7.94 -1.26 0.33 117.00 128.98 2qjk n LEU 90 Ca -0.05 1.15 -0.08 0.00 -1.11 0.00 0.00 56.01 55.91 2qjk n LEU 90 Cb 0.50 -0.57 0.01 0.00 0.53 0.00 0.00 43.42 43.89 2qjk n LEU 90 CO 0.45 -1.20 0.95 1.23 -1.11 0.00 0.00 177.39 177.72 2qjk h GLY 91 N 0.00 0.81 1.51 -3.96 0.00 -2.00 -2.71 103.07 96.71 2qjk h GLY 91 Ca 0.92 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.81 2qjk h GLY 91 CO -0.19 0.42 0.00 0.61 0.00 0.00 0.00 176.54 177.38 2qjk n GLN 92 N -4.55 0.22 -2.15 4.80 10.64 0.98 -4.82 117.38 122.51 2qjk n GLN 92 Ca 0.02 0.14 -0.30 0.00 -1.83 0.00 0.00 57.00 55.02 2qjk n GLN 92 Cb 0.16 -1.50 -0.00 0.00 -0.86 0.00 0.00 30.24 28.04 2qjk n GLN 92 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2qjk s LEU 93 N -2.51 3.40 -0.22 2.61 1.43 -1.03 -5.00 118.68 117.35 2qjk s LEU 93 Ca 0.14 1.32 -0.11 0.00 -1.03 0.00 0.00 54.13 54.46 2qjk s LEU 93 Cb 0.09 -4.33 -0.18 0.00 0.03 0.00 0.00 46.19 41.81 2qjk s LEU 93 CO 0.21 -0.75 -0.03 0.52 0.23 0.00 0.00 176.35 176.53 2qjk n VAL 94 N -2.42 1.58 -3.97 -1.59 0.31 -1.26 -4.82 118.33 106.17 2qjk n VAL 94 Ca 0.05 -0.40 -0.35 0.00 -0.01 0.00 0.00 64.34 63.63 2qjk n VAL 94 Cb 0.54 -1.78 -0.11 0.00 -0.91 0.00 0.00 33.84 31.58 2qjk n VAL 94 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2qjk s ASP 95 N -7.01 5.34 -0.06 4.52 -1.08 -1.26 -4.97 116.67 112.14 2qjk s ASP 95 Ca -0.32 -0.06 0.16 0.00 -0.52 0.00 0.00 52.55 51.81 2qjk s ASP 95 Cb 0.09 -1.93 -0.22 0.00 -1.46 0.00 0.00 42.92 39.41 2qjk s ASP 95 CO 0.60 0.09 0.51 0.41 0.52 0.00 0.00 175.17 177.31 2qjk n THR 96 N 4.08 1.30 -2.28 1.71 -1.04 -1.26 -4.79 114.28 112.01 2qjk n THR 96 Ca -0.16 -0.76 -0.40 0.00 -2.04 0.00 0.00 64.05 60.68 2qjk n THR 96 Cb 0.52 -0.70 -0.03 0.00 -1.82 0.00 0.00 70.33 68.30 2qjk n THR 96 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 2qjk s ASN 97 N -5.70 7.00 0.52 8.00 3.84 -1.26 0.12 114.94 127.46 2qjk s ASN 97 Ca -0.06 2.50 0.30 0.00 0.21 0.00 0.00 52.86 55.81 2qjk s ASN 97 Cb 0.08 -2.64 1.38 0.00 -0.55 0.00 0.00 41.25 39.53 2qjk s ASN 97 CO 0.83 -0.36 2.01 0.00 -2.79 0.00 0.00 177.10 176.80 2qjk h ALA 98 N 3.59 1.11 -6.35 1.71 0.00 -1.74 -3.38 119.26 114.20 2qjk h ALA 98 Ca -0.48 -0.10 -0.48 0.00 0.00 0.00 0.00 54.91 53.85 2qjk h ALA 98 Cb 1.22 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2qjk h ALA 98 CO 0.66 0.14 -0.79 0.54 0.00 0.00 0.00 179.25 179.80 2qjk n ARG 99 N -3.38 -4.92 -3.96 0.00 5.12 -1.26 -4.72 116.66 103.54 2qjk n ARG 99 Ca -0.01 0.55 -0.35 0.00 -1.93 0.00 0.00 57.85 56.12 2qjk n ARG 99 Cb 0.29 -5.31 -0.14 0.00 -1.16 0.00 0.00 32.46 26.14 2qjk n ARG 99 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2qjk s ASN 100 N -3.56 4.10 0.48 0.55 3.84 -1.26 -1.66 114.94 117.44 2qjk s ASN 100 Ca 0.52 -0.60 0.28 0.00 0.21 0.00 0.00 52.86 53.26 2qjk s ASN 100 Cb -0.26 -1.67 0.92 0.00 -0.55 0.00 0.00 41.25 39.69 2qjk s ASN 100 CO 0.85 -0.06 1.82 0.00 -2.79 0.00 0.00 177.10 176.92 2qjk h ALA 101 N 8.05 0.98 -0.10 1.71 0.00 -1.80 -3.07 119.26 125.04 2qjk h ALA 101 Ca -0.39 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.29 2qjk h ALA 101 Cb 1.14 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2qjk h ALA 101 CO 0.60 0.10 -0.59 -0.91 0.00 0.00 0.00 179.25 178.45 2qjk h ASN 102 N 0.00 0.36 -5.11 0.00 2.35 -1.84 -3.46 115.58 107.88 2qjk h ASN 102 Ca -0.00 -0.20 -0.43 0.00 -0.55 0.00 0.00 56.30 55.12 2qjk h ASN 102 Cb 0.75 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.97 2qjk h ASN 102 CO 0.01 0.87 -0.22 2.30 -1.65 0.00 0.00 177.43 178.74 2qjk n ILE 103 N -3.90 0.00 -1.54 2.81 -5.35 -1.16 -5.09 119.36 105.13 2qjk n ILE 103 Ca -0.03 -1.62 -0.37 0.00 -0.27 0.00 0.00 62.75 60.46 2qjk n ILE 103 Cb 0.61 -0.08 0.05 0.00 -1.74 0.00 0.00 39.64 38.49 2qjk n ILE 103 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2qjk n ASP 104 N -1.78 0.14 0.00 7.28 2.03 -1.26 -4.84 116.55 118.11 2qjk n ASP 104 Ca -0.04 0.76 0.11 0.00 0.52 0.00 0.00 54.79 56.15 2qjk n ASP 104 Cb 0.46 -1.32 0.60 0.00 -0.72 0.00 0.00 41.12 40.14 2qjk n ASP 104 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2qjk n ALA 105 N -1.85 2.21 0.79 -1.67 0.00 -1.26 -2.77 120.51 115.95 2qjk n ALA 105 Ca 0.13 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.54 2qjk n ALA 105 Cb 0.48 -1.38 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 2qjk n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjk n GLY 106 N 0.67 -0.61 3.03 0.00 0.00 -1.26 -4.93 105.19 102.10 2qjk n GLY 106 Ca 0.12 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.29 2qjk n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjk n ALA 107 N -1.42 -5.43 -2.47 4.61 0.00 -1.12 -4.86 120.51 109.82 2qjk n ALA 107 Ca 0.03 -0.99 -0.32 0.00 0.00 0.00 0.00 53.44 52.17 2qjk n ALA 107 Cb 0.27 -1.06 -0.13 0.00 0.00 0.00 0.00 19.45 18.54 2qjk n ALA 107 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2qjk s GLU 108 N -2.15 2.28 0.00 0.00 2.02 -1.26 -2.89 118.70 116.70 2qjk s GLU 108 Ca 0.40 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.54 2qjk s GLU 108 Cb -0.07 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.88 2qjk s GLU 108 CO 0.75 0.58 0.00 0.00 0.02 0.00 0.00 175.26 176.61 2qjk n ALA 109 N 1.84 1.06 -1.77 5.21 0.00 0.33 -4.45 120.51 122.74 2qjk n ALA 109 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 52.89 2qjk n ALA 109 Cb 0.52 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 2qjk n ALA 109 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qjk s THR 110 N 0.98 3.52 0.55 0.00 -4.23 -1.26 -4.88 115.64 110.31 2qjk s THR 110 Ca 0.00 1.37 0.32 0.00 -1.18 0.00 0.00 61.69 62.20 2qjk s THR 110 Cb 0.00 -3.81 0.48 0.00 1.34 0.00 0.00 72.50 70.51 2qjk s THR 110 CO 0.00 0.21 1.85 -0.78 -0.54 0.00 0.00 174.62 175.36 2qjk h ASP 111 N 3.24 0.00 0.63 3.99 1.82 -1.88 0.50 116.42 124.72 2qjk h ASP 111 Ca -0.47 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.06 2qjk h ASP 111 Cb 1.22 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 41.21 2qjk h ASP 111 CO 0.65 0.00 -0.52 1.56 -1.61 0.00 0.00 179.24 179.31 2qjk h GLN 112 N 0.00 0.00 -0.11 0.28 7.50 -1.92 -2.91 115.11 117.95 2qjk h GLN 112 Ca 0.42 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.57 2qjk h GLN 112 Cb 1.79 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.32 2qjk h GLN 112 CO -0.00 0.52 0.00 0.09 -1.50 0.00 0.00 178.83 177.94 2qjk n ASN 113 N -3.78 1.23 -0.01 1.46 3.02 0.17 -3.83 115.26 113.52 2qjk n ASN 113 Ca -0.01 -1.60 0.08 0.00 -0.03 0.00 0.00 54.58 53.02 2qjk n ASN 113 Cb 0.56 -0.07 -0.11 0.00 -0.61 0.00 0.00 39.78 39.55 2qjk n ASN 113 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2qjk n ARG 114 N 0.02 0.92 -3.06 3.52 5.12 -1.10 -4.85 116.66 117.23 2qjk n ARG 114 Ca 0.16 -0.10 -0.18 0.00 -1.93 0.00 0.00 57.85 55.80 2qjk n ARG 114 Cb 0.27 -1.34 0.02 0.00 -1.16 0.00 0.00 32.46 30.25 2qjk n ARG 114 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 2qjk s THR 115 N -2.91 2.80 -0.17 0.55 -4.23 -1.23 -4.51 115.64 105.94 2qjk s THR 115 Ca -0.02 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.50 2qjk s THR 115 Cb 0.11 -2.82 -0.22 0.00 1.34 0.00 0.00 72.50 70.90 2qjk s THR 115 CO 0.66 0.00 0.16 0.18 -0.54 0.00 0.00 174.62 175.08 2qjk n LEU 116 N -1.91 1.99 -4.97 4.79 4.77 -0.59 -4.97 117.00 116.11 2qjk n LEU 116 Ca 0.09 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.95 2qjk n LEU 116 Cb 0.60 -0.54 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2qjk n LEU 116 CO 0.39 0.74 0.29 1.51 -1.33 0.00 0.00 177.39 179.00 2qjk s ASP 117 N -6.43 5.61 0.27 -1.43 -4.77 -1.26 -5.01 116.67 103.65 2qjk s ASP 117 Ca -0.21 0.08 0.17 0.00 -3.30 0.00 0.00 52.55 49.29 2qjk s ASP 117 Cb 0.08 -1.19 0.07 0.00 -1.09 0.00 0.00 42.92 40.79 2qjk s ASP 117 CO 0.73 -0.86 1.36 -0.33 0.70 0.00 0.00 175.17 176.77 2qjk h GLU 118 N 0.32 0.00 0.00 2.11 3.07 -1.94 -2.97 114.58 115.17 2qjk h GLU 118 Ca -0.44 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.42 2qjk h GLU 118 Cb 1.27 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.18 2qjk h GLU 118 CO 0.54 0.37 0.00 0.00 -1.40 0.00 0.00 179.01 178.52 2qjk n ALA 119 N -2.23 2.10 -1.61 3.43 0.00 -1.26 -4.89 120.51 116.05 2qjk n ALA 119 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.32 2qjk n ALA 119 Cb 0.71 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 2qjk n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjk n GLY 120 N 0.95 0.72 0.13 0.00 0.00 -1.12 -4.93 105.19 100.94 2qjk n GLY 120 Ca 0.05 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 2qjk n GLY 120 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qjk h GLU 121 N 0.00 0.39 -4.69 1.61 4.81 -1.87 -3.44 114.58 111.38 2qjk h GLU 121 Ca -0.21 -0.66 -0.71 0.00 -0.13 0.00 0.00 59.36 57.64 2qjk h GLU 121 Cb 0.83 0.25 -0.20 0.00 0.63 0.00 0.00 28.75 30.26 2qjk h GLU 121 CO 0.29 1.29 0.50 -1.58 -0.73 0.00 0.00 179.01 178.78 2qjk s TRP 122 N -2.61 3.23 -0.38 0.92 0.52 -1.26 0.46 118.94 119.82 2qjk s TRP 122 Ca -0.09 -1.41 -0.18 0.00 0.02 0.00 0.00 56.10 54.44 2qjk s TRP 122 Cb 0.06 -4.12 0.01 0.00 -1.15 0.00 0.00 33.47 28.26 2qjk s TRP 122 CO 0.89 -1.34 0.50 -1.17 0.02 0.00 0.00 176.95 175.85 2qjk s LEU 123 N 2.15 4.50 -0.11 2.99 2.96 -0.57 -1.54 118.68 129.05 2qjk s LEU 123 Ca 0.24 -0.25 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2qjk s LEU 123 Cb -0.10 -2.53 0.01 0.00 0.50 0.00 0.00 46.19 44.06 2qjk s LEU 123 CO -0.05 -0.53 -0.20 -0.69 -1.32 0.00 0.00 176.35 173.55 2qjk s VAL 124 N 2.36 1.84 0.11 1.68 1.01 -1.26 -1.27 120.40 124.87 2qjk s VAL 124 Ca 0.17 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2qjk s VAL 124 Cb -0.16 -1.63 0.08 0.00 0.00 0.00 0.00 36.38 34.67 2qjk s VAL 124 CO 0.14 0.51 0.73 0.00 0.00 0.00 0.00 175.10 176.48 2qjk s MET 125 N 0.70 1.15 -0.21 2.72 0.23 -0.58 -4.60 119.30 118.71 2qjk s MET 125 Ca -0.11 -0.46 -0.29 0.00 -1.03 0.00 0.00 55.69 53.80 2qjk s MET 125 Cb -0.16 0.51 -0.03 0.00 -1.53 0.00 0.00 34.83 33.62 2qjk s MET 125 CO 0.02 -0.51 1.70 -1.58 -2.03 0.00 0.00 175.02 172.62 2qjk s TRP 126 N -3.52 1.95 0.00 3.16 0.52 0.12 0.08 118.94 121.25 2qjk s TRP 126 Ca 0.04 0.48 -0.03 0.00 0.02 0.00 0.00 56.10 56.61 2qjk s TRP 126 Cb -0.01 -4.01 -0.11 0.00 -1.15 0.00 0.00 33.47 28.18 2qjk s TRP 126 CO -0.09 -3.21 2.07 0.41 0.02 0.00 0.00 176.95 176.14 2qjk n GLY 127 N 4.79 2.09 2.96 0.98 0.00 -0.94 -4.56 105.19 110.51 2qjk n GLY 127 Ca 0.20 -0.51 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 2qjk n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qjk s VAL 128 N 1.42 2.54 0.03 1.61 1.01 -1.26 -3.84 120.40 121.91 2qjk s VAL 128 Ca 0.28 -3.18 -0.32 0.00 0.00 0.00 0.00 61.98 58.76 2qjk s VAL 128 Cb 0.14 -2.78 -0.17 0.00 0.00 0.00 0.00 36.38 33.57 2qjk s VAL 128 CO 0.00 -0.77 0.83 0.00 0.00 0.00 0.00 175.10 175.16 2qjk n THR 130 N 1.06 0.00 0.00 0.00 -2.24 -1.26 -2.99 114.28 108.85 2qjk n THR 130 Ca 0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 2qjk n THR 130 Cb 0.09 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2qjk n THR 130 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 2qjk n HIS 131 N -0.80 0.00 0.00 4.78 -0.00 -1.26 -4.41 115.22 113.53 2qjk n HIS 131 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.86 2qjk n HIS 131 Cb 0.07 -0.16 0.00 0.00 -0.00 0.00 0.00 29.99 29.89 2qjk n HIS 131 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 2qjk n LEU 132 N -0.99 0.00 0.00 0.27 4.77 -1.26 -4.97 117.00 114.82 2qjk n LEU 132 Ca 0.00 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2qjk n LEU 132 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2qjk n LEU 132 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2qjk n GLY 133 N 1.62 1.87 3.24 -0.72 0.00 -1.16 -5.07 105.19 104.97 2qjk n GLY 133 Ca 0.00 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2qjk n GLY 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qjk s SER 135 N -1.66 5.72 0.38 0.00 0.15 -1.25 0.04 113.70 117.08 2qjk s SER 135 Ca 0.51 -1.08 -0.28 0.00 0.70 0.00 0.00 55.95 55.81 2qjk s SER 135 Cb -0.10 -2.02 -0.11 0.00 -1.71 0.00 0.00 66.02 62.08 2qjk s SER 135 CO 0.68 -0.41 1.43 -2.65 1.20 0.00 0.00 173.24 173.49 2qjk n PRO 136 N 4.99 2.47 -2.71 5.44 -0.02 -1.26 -4.90 135.00 139.02 2qjk n PRO 136 Ca -0.12 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 2qjk n PRO 136 Cb 0.45 -2.58 -0.03 0.00 -0.02 0.00 0.00 33.50 31.33 2qjk n PRO 136 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qjk s ILE 137 N -1.13 4.77 0.00 4.25 1.01 -0.03 -4.74 121.20 125.32 2qjk s ILE 137 Ca 0.55 1.99 0.00 0.00 0.00 0.00 0.00 60.65 63.19 2qjk s ILE 137 Cb -0.49 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 37.69 2qjk s ILE 137 CO 0.62 -0.04 0.00 0.61 0.00 0.00 0.00 174.94 176.13 2qjk n GLY 138 N 3.20 1.22 2.49 6.18 0.00 -1.26 -1.46 105.19 115.56 2qjk n GLY 138 Ca 0.09 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.47 2qjk n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjk n GLY 139 N 5.00 -0.01 2.75 -0.02 0.00 -1.26 -4.00 105.19 107.66 2qjk n GLY 139 Ca 0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 46.02 45.76 2qjk n GLY 139 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2qjk n VAL 140 N -3.98-11.64 -4.09 1.61 0.31 -1.20 -5.05 118.33 94.28 2qjk n VAL 140 Ca -0.06 1.71 -0.07 0.00 -0.01 0.00 0.00 64.34 65.90 2qjk n VAL 140 Cb 0.57 -6.85 -0.10 0.00 -0.91 0.00 0.00 33.84 26.55 2qjk n VAL 140 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2qjk s SER 141 N -1.73 0.50 0.00 4.52 0.01 0.81 -4.80 113.70 113.02 2qjk s SER 141 Ca 0.03 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.30 2qjk s SER 141 Cb -0.01 0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2qjk s SER 141 CO 0.76 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 174.43 2qjk n GLY 142 N 0.14 0.31 0.00 3.44 0.00 -1.26 -0.80 105.19 107.01 2qjk n GLY 142 Ca -0.14 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2qjk n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qjk n ASP 143 N -0.47 0.00 -2.11 1.61 8.00 -1.26 -2.37 116.55 119.95 2qjk n ASP 143 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2qjk n ASP 143 Cb 0.00 0.00 0.05 0.00 -0.02 0.00 0.00 41.12 41.15 2qjk n ASP 143 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2qjk n PHE 144 N -0.49 0.97 -3.27 1.24 3.01 -1.26 -5.00 117.46 112.66 2qjk n PHE 144 Ca 0.00 -1.59 -0.23 0.00 1.01 0.00 0.00 57.45 56.63 2qjk n PHE 144 Cb 0.00 -0.22 0.01 0.00 -0.01 0.00 0.00 39.48 39.26 2qjk n PHE 144 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qjk n GLY 145 N -0.33 -0.50 0.00 1.37 0.00 -1.00 -3.41 105.19 101.31 2qjk n GLY 145 Ca 0.13 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2qjk n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qjk n GLY 146 N -1.36 1.92 3.15 -0.02 0.00 -0.66 -3.36 105.19 104.86 2qjk n GLY 146 Ca -0.05 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 2qjk n GLY 146 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qjk s TRP 147 N 1.54 1.09 -0.13 1.61 0.51 0.02 -0.13 118.94 123.45 2qjk s TRP 147 Ca 0.00 -0.49 0.00 0.00 -2.12 0.00 0.00 56.10 53.49 2qjk s TRP 147 Cb 0.00 -0.62 0.02 0.00 -0.81 0.00 0.00 33.47 32.07 2qjk s TRP 147 CO 0.00 0.03 -0.12 0.12 -0.51 0.00 0.00 176.95 176.47 2qjk s PHE 148 N -1.42 1.91 -0.51 -1.98 5.36 -0.53 -1.29 117.98 119.51 2qjk s PHE 148 Ca -0.03 -1.03 -0.22 0.00 -0.96 0.00 0.00 56.93 54.69 2qjk s PHE 148 Cb -0.09 -1.46 0.04 0.00 -0.34 0.00 0.00 43.02 41.17 2qjk s PHE 148 CO 0.02 -0.60 0.80 0.00 -1.46 0.00 0.00 175.22 173.97 2qjk n PRO 150 N 6.88 0.20 -0.06 0.00 -0.04 -1.26 -1.32 135.00 139.39 2qjk n PRO 150 Ca -0.01 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 2qjk n PRO 150 Cb 0.47 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.37 2qjk n PRO 150 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qjk n HIS 152 N -4.10 0.00 -2.77 0.00 8.25 -1.22 -5.06 115.22 110.33 2qjk n HIS 152 Ca -0.05 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.30 2qjk n HIS 152 Cb 0.61 0.03 0.05 0.00 1.12 0.00 0.00 29.99 31.79 2qjk n HIS 152 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2qjk n GLY 153 N 0.00 -0.49 3.59 -1.41 0.00 -0.44 -4.68 105.19 101.77 2qjk n GLY 153 Ca 0.00 0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 2qjk n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qjk s SER 154 N -3.37 5.07 -0.05 1.61 0.01 -1.06 -4.27 113.70 111.64 2qjk s SER 154 Ca 0.28 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.53 2qjk s SER 154 Cb -0.04 -1.65 -0.04 0.00 0.21 0.00 0.00 66.02 64.51 2qjk s SER 154 CO 0.52 0.26 0.04 -1.00 0.41 0.00 0.00 173.24 173.47 2qjk s HIS 155 N -0.19 3.24 0.05 2.43 0.09 0.20 -0.96 115.29 120.15 2qjk s HIS 155 Ca 0.05 0.22 0.05 0.00 -0.00 0.00 0.00 55.06 55.38 2qjk s HIS 155 Cb -0.13 -1.77 -0.02 0.00 -0.00 0.00 0.00 32.58 30.65 2qjk s HIS 155 CO 0.02 0.53 -0.15 0.71 -0.00 0.00 0.00 174.74 175.85 2qjk s TYR 156 N -1.02 1.31 0.64 1.40 1.51 -0.41 -0.57 117.35 120.21 2qjk s TYR 156 Ca 0.17 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.82 2qjk s TYR 156 Cb -0.12 -0.76 0.13 0.00 -0.11 0.00 0.00 41.96 41.10 2qjk s TYR 156 CO 0.07 0.06 0.88 -0.40 -1.11 0.00 0.00 175.55 175.04 2qjk n ASP 157 N 1.68 0.89 0.00 2.29 5.68 -0.06 -1.57 116.55 125.46 2qjk n ASP 157 Ca -0.19 -1.82 0.02 0.00 -0.50 0.00 0.00 54.79 52.31 2qjk n ASP 157 Cb 0.54 -0.59 0.13 0.00 -1.14 0.00 0.00 41.12 40.06 2qjk n ASP 157 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2qjk n SER 158 N -3.09 0.00 -0.01 -1.12 3.41 -1.21 -0.28 113.62 111.31 2qjk n SER 158 Ca 0.14 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.33 2qjk n SER 158 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2qjk n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qjk n ALA 159 N -0.74 2.33 -1.94 7.33 0.00 -1.26 -4.89 120.51 121.34 2qjk n ALA 159 Ca 0.03 -0.67 -0.01 0.00 0.00 0.00 0.00 53.44 52.80 2qjk n ALA 159 Cb 0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 2qjk n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qjk n GLY 160 N -0.15 0.35 3.83 0.00 0.00 0.61 -4.94 105.19 104.88 2qjk n GLY 160 Ca 0.00 -0.88 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 2qjk n GLY 160 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qjk s ARG 161 N -3.89 3.28 0.18 1.61 0.52 -1.25 -1.52 118.95 117.88 2qjk s ARG 161 Ca 0.00 -0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 2qjk s ARG 161 Cb 0.00 -3.03 -0.08 0.00 0.52 0.00 0.00 34.95 32.36 2qjk s ARG 161 CO 0.00 0.72 1.19 -1.50 0.02 0.00 0.00 175.30 175.73 2qjk s ILE 162 N -1.07 3.60 0.00 1.52 1.10 -1.26 -0.88 121.20 124.21 2qjk s ILE 162 Ca 0.18 1.36 0.00 0.00 -0.51 0.00 0.00 60.65 61.68 2qjk s ILE 162 Cb -0.12 -3.87 0.00 0.00 0.15 0.00 0.00 42.46 38.62 2qjk s ILE 162 CO 0.08 0.22 0.00 0.54 -2.11 0.00 0.00 174.94 173.67 2qjk n ARG 163 N 2.47 3.21 -3.55 3.50 5.12 0.27 -4.12 116.66 123.56 2qjk n ARG 163 Ca 0.04 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.79 2qjk n ARG 163 Cb 0.45 -0.60 -0.06 0.00 -1.16 0.00 0.00 32.46 31.08 2qjk n ARG 163 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2qjk s LYS 164 N -0.81 1.01 0.00 5.56 2.20 -1.18 -4.96 119.74 121.56 2qjk s LYS 164 Ca 0.00 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.84 2qjk s LYS 164 Cb 0.00 0.47 0.00 0.00 -1.51 0.00 0.00 37.83 36.79 2qjk s LYS 164 CO 0.00 -0.31 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 2qjk n GLY 165 N 1.00 -3.98 0.24 5.54 0.00 -1.26 -0.63 105.19 106.10 2qjk n GLY 165 Ca -0.19 -2.13 0.11 0.00 0.00 0.00 0.00 46.02 43.81 2qjk n GLY 165 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qjk h PRO 166 N 0.43 0.00 -6.44 1.61 0.13 -1.84 -3.45 132.00 122.44 2qjk h PRO 166 Ca 0.00 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.52 2qjk h PRO 166 Cb 0.00 0.00 0.10 0.00 0.13 0.00 0.00 31.00 31.23 2qjk h PRO 166 CO 0.00 0.19 0.16 0.00 -0.23 0.00 0.00 178.00 178.12 2qjk n ALA 167 N -2.23 -0.35 0.08 -0.56 0.00 -1.26 -4.87 120.51 111.32 2qjk n ALA 167 Ca -0.00 0.41 0.06 0.00 0.00 0.00 0.00 53.44 53.90 2qjk n ALA 167 Cb 0.36 -2.02 0.11 0.00 0.00 0.00 0.00 19.45 17.90 2qjk n ALA 167 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2qjk n PRO 168 N 1.00 1.95 -3.92 0.00 -0.04 -1.26 -4.96 135.00 127.77 2qjk n PRO 168 Ca 0.11 -1.70 -0.09 0.00 -0.04 0.00 0.00 63.50 61.77 2qjk n PRO 168 Cb 0.30 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.46 2qjk n PRO 168 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qjk s GLU 169 N -0.97 1.32 0.40 0.54 2.02 -1.26 -4.77 118.70 115.97 2qjk s GLU 169 Ca 0.19 -1.13 -0.17 0.00 0.02 0.00 0.00 54.97 53.88 2qjk s GLU 169 Cb 0.11 0.43 -0.09 0.00 0.10 0.00 0.00 34.13 34.68 2qjk s GLU 169 CO 0.15 -0.52 0.86 -0.80 0.02 0.00 0.00 175.26 174.97 2qjk s ASN 170 N -2.96 6.81 0.09 -0.19 0.01 -1.26 -4.21 114.94 113.21 2qjk s ASN 170 Ca 0.17 1.47 -0.35 0.00 -0.71 0.00 0.00 52.86 53.44 2qjk s ASN 170 Cb 0.01 -2.45 -0.15 0.00 0.41 0.00 0.00 41.25 39.07 2qjk s ASN 170 CO 0.02 -0.33 1.55 0.18 -1.51 0.00 0.00 177.10 177.01 2qjk n LEU 171 N -0.70 2.65 -4.77 0.60 4.77 -0.57 -4.91 117.00 114.07 2qjk n LEU 171 Ca 0.05 1.08 -0.36 0.00 -0.03 0.00 0.00 56.01 56.76 2qjk n LEU 171 Cb 0.54 -1.33 -0.00 0.00 -2.33 0.00 0.00 43.42 40.29 2qjk n LEU 171 CO 0.41 -0.50 0.79 -2.84 -1.33 0.00 0.00 177.39 173.92 2qjk s PRO 172 N 1.26 3.49 -0.20 3.23 0.02 -1.26 -4.79 135.00 136.75 2qjk s PRO 172 Ca 0.83 1.65 -0.05 0.00 0.02 0.00 0.00 61.00 63.45 2qjk s PRO 172 Cb -0.79 -2.13 -0.02 0.00 0.02 0.00 0.00 34.50 31.58 2qjk s PRO 172 CO 0.44 -0.75 -0.00 0.42 -0.33 0.00 0.00 177.00 176.78 2qjk s ILE 173 N -1.71 3.96 0.53 2.83 1.01 -0.66 -0.70 121.20 126.46 2qjk s ILE 173 Ca 0.70 -0.31 -0.07 0.00 0.00 0.00 0.00 60.65 60.97 2qjk s ILE 173 Cb -0.25 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 2qjk s ILE 173 CO 0.29 0.43 0.87 -2.16 0.00 0.00 0.00 174.94 174.38 2qjk s PRO 174 N 0.94 3.53 -0.07 2.79 0.04 -1.26 -2.61 135.00 138.35 2qjk s PRO 174 Ca 0.01 0.37 -0.38 0.00 0.04 0.00 0.00 61.00 61.05 2qjk s PRO 174 Cb -0.14 -2.27 -0.16 0.00 0.04 0.00 0.00 34.50 31.97 2qjk s PRO 174 CO 0.02 -0.36 1.54 1.28 0.04 0.00 0.00 177.00 179.52 2qjk n LEU 175 N -2.44 2.08 -3.51 -3.56 4.77 -1.26 -4.71 117.00 108.37 2qjk n LEU 175 Ca 0.03 1.09 -0.16 0.00 -0.03 0.00 0.00 56.01 56.94 2qjk n LEU 175 Cb 0.55 -1.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.40 2qjk n LEU 175 CO 0.55 -0.72 0.47 0.00 -1.33 0.00 0.00 177.39 176.36 2qjk s ALA 176 N 1.92 -1.76 -0.27 -1.18 0.00 -1.26 -0.57 121.76 118.64 2qjk s ALA 176 Ca 0.90 1.21 -0.29 0.00 0.00 0.00 0.00 51.96 53.79 2qjk s ALA 176 Cb -0.98 0.08 0.18 0.00 0.00 0.00 0.00 23.12 22.39 2qjk s ALA 176 CO 0.55 -0.43 1.30 -1.59 0.00 0.00 0.00 175.76 175.59 2qjk s LYS 177 N -1.61 0.16 0.04 0.00 0.00 -1.25 -4.94 119.74 112.13 2qjk s LYS 177 Ca -0.08 0.05 -0.30 0.00 0.00 0.00 0.00 55.97 55.64 2qjk s LYS 177 Cb -0.00 0.07 -0.07 0.00 0.00 0.00 0.00 37.83 37.84 2qjk s LYS 177 CO 0.05 -0.05 1.44 -0.06 0.00 0.00 0.00 175.35 176.74 2qjk s PHE 178 N -0.88 2.87 -0.62 1.78 0.40 -1.26 -1.25 117.98 119.01 2qjk s PHE 178 Ca 0.07 0.76 0.24 0.00 -0.60 0.00 0.00 56.93 57.40 2qjk s PHE 178 Cb -0.01 -3.72 0.31 0.00 0.51 0.00 0.00 43.02 40.10 2qjk s PHE 178 CO -0.07 -2.67 1.29 0.82 0.70 0.00 0.00 175.22 175.28 2qjk h ILE 179 N 4.75 0.00 -0.33 0.64 1.08 -0.81 -3.47 117.51 119.35 2qjk h ILE 179 Ca -0.40 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2qjk h ILE 179 Cb 1.19 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.00 2qjk h ILE 179 CO 0.90 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.46 2qjk n ASP 180 N -2.12 0.00 0.25 1.72 5.68 -1.20 -5.01 116.55 115.86 2qjk n ASP 180 Ca 0.03 0.00 0.10 0.00 -0.50 0.00 0.00 54.79 54.42 2qjk n ASP 180 Cb 0.44 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.09 2qjk n ASP 180 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2qjk h GLU 181 N 0.00 0.00 -0.07 0.11 5.08 -2.03 -3.29 114.58 114.39 2qjk h GLU 181 Ca 0.00 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.19 2qjk h GLU 181 Cb 0.00 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 28.96 2qjk h GLU 181 CO 0.00 0.13 -0.76 -2.37 -1.00 0.00 0.00 179.01 175.01 2qjk n THR 182 N -3.91 0.20 -3.71 1.13 5.66 -1.26 -4.96 114.28 107.43 2qjk n THR 182 Ca -0.02 -1.02 -0.13 0.00 -3.05 0.00 0.00 64.05 59.83 2qjk n THR 182 Cb 0.23 0.91 -0.13 0.00 -1.55 0.00 0.00 70.33 69.78 2qjk n THR 182 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2qjk s THR 183 N -0.59 -0.12 -0.09 1.09 2.01 -1.24 -1.47 115.64 115.23 2qjk s THR 183 Ca 0.21 0.18 -0.01 0.00 0.31 0.00 0.00 61.69 62.37 2qjk s THR 183 Cb 0.27 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.37 2qjk s THR 183 CO -0.10 0.07 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.26 2qjk s ILE 184 N 1.51 4.11 -0.73 1.82 1.01 -0.84 -0.06 121.20 128.02 2qjk s ILE 184 Ca -0.07 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.19 2qjk s ILE 184 Cb -0.11 -2.72 0.19 0.00 0.01 0.00 0.00 42.46 39.83 2qjk s ILE 184 CO -0.08 0.59 0.60 -1.58 0.00 0.00 0.00 174.94 174.46 2qjk s GLN 185 N -0.71 3.03 0.19 2.79 0.74 -0.38 -1.32 119.66 124.00 2qjk s GLN 185 Ca 0.11 -2.58 -0.30 0.00 0.05 0.00 0.00 55.36 52.63 2qjk s GLN 185 Cb -0.12 -4.02 -0.09 0.00 1.10 0.00 0.00 33.01 29.89 2qjk s GLN 185 CO 0.02 -1.22 1.39 -0.51 -0.55 0.00 0.00 175.29 174.42 2qjk s LEU 186 N -0.11 4.39 0.00 3.68 1.43 -1.12 -3.87 118.68 123.07 2qjk s LEU 186 Ca 0.18 2.49 0.00 0.00 -1.03 0.00 0.00 54.13 55.77 2qjk s LEU 186 Cb -0.16 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2qjk s LEU 186 CO -0.06 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 176.49