#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 2.60 -0.06 2.61 -1.04 -1.26 -3.97 114.28 113.17 2qjk n THR 10 Ca 0.00 -1.40 -0.08 0.00 -2.04 0.00 0.00 64.05 60.53 2qjk n THR 10 Cb 0.00 -0.45 -0.07 0.00 -1.82 0.00 0.00 70.33 68.00 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 2.01 -0.01 -0.10 -2.82 3.08 -2.05 -2.46 114.38 112.03 2qjk h ARG 11 Ca 0.29 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.17 2qjk h ARG 11 Cb 2.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 32.25 2qjk h ARG 11 CO 0.69 0.52 -0.58 0.07 -1.07 0.00 0.00 179.97 179.60 2qjk h ARG 12 N -1.00 0.57 -0.67 0.04 0.11 -2.01 -3.16 114.38 108.26 2qjk h ARG 12 Ca -0.00 -0.48 0.04 0.00 0.10 0.00 0.00 59.98 59.64 2qjk h ARG 12 Cb 0.53 0.10 -0.04 0.00 1.11 0.00 0.00 29.97 31.68 2qjk h ARG 12 CO 0.00 1.11 0.44 0.22 0.10 0.00 0.00 179.97 181.84 2qjk h ASP 13 N 0.19 0.68 0.65 0.08 3.58 -1.72 -0.04 116.42 119.84 2qjk h ASP 13 Ca -0.04 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.37 2qjk h ASP 13 Cb 1.23 -0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.13 2qjk h ASP 13 CO 0.12 0.46 -0.31 0.15 -2.88 0.00 0.00 179.24 176.78 2qjk h PHE 14 N 0.78 -0.81 -0.38 0.28 3.57 -1.44 -1.37 116.94 117.57 2qjk h PHE 14 Ca 0.27 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.82 2qjk h PHE 14 Cb 0.10 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.02 2qjk h PHE 14 CO -0.00 -0.50 -0.38 1.25 -2.23 0.00 0.00 178.31 176.45 2qjk h LEU 15 N -0.89 -1.24 -1.13 0.59 5.85 -1.33 0.35 115.31 117.51 2qjk h LEU 15 Ca -0.09 0.20 0.22 0.00 0.84 0.00 0.00 57.88 59.05 2qjk h LEU 15 Cb 0.68 0.56 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 2qjk h LEU 15 CO 0.15 -0.35 0.62 1.88 -0.34 0.00 0.00 178.44 180.40 2qjk h TYR 16 N -0.31 0.92 0.00 1.25 -1.99 -0.86 0.30 116.97 116.29 2qjk h TYR 16 Ca 0.15 0.03 -0.06 0.00 2.00 0.00 0.00 58.73 60.85 2qjk h TYR 16 Cb 0.57 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2qjk h TYR 16 CO -0.57 0.16 -0.68 1.88 -0.00 0.00 0.00 178.16 178.95 2qjk h TYR 17 N 0.61 0.00 0.02 4.88 0.05 0.20 -2.15 116.97 120.59 2qjk h TYR 17 Ca 0.59 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 59.16 2qjk h TYR 17 Cb 1.12 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.85 2qjk h TYR 17 CO -0.00 0.25 -0.94 0.00 -1.05 0.00 0.00 178.16 176.41 2qjk h ALA 18 N 1.75 0.44 0.25 3.88 0.00 0.15 -2.76 119.26 122.98 2qjk h ALA 18 Ca -0.03 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 2qjk h ALA 18 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2qjk h ALA 18 CO 0.03 1.00 -0.12 1.15 0.00 0.00 0.00 179.25 181.30 2qjk h THR 19 N 0.07 0.00 -1.26 0.00 2.02 -0.51 -2.65 112.91 110.57 2qjk h THR 19 Ca -0.05 -0.25 0.36 0.00 0.77 0.00 0.00 66.41 67.25 2qjk h THR 19 Cb 1.61 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 67.96 2qjk h THR 19 CO 0.14 0.00 0.89 0.00 0.37 0.00 0.00 175.52 176.92 2qjk h ALA 20 N -1.60 3.08 0.61 6.16 0.00 -1.51 0.92 119.26 126.92 2qjk h ALA 20 Ca -0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2qjk h ALA 20 Cb 0.26 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2qjk h ALA 20 CO 0.06 -1.46 -0.29 0.78 0.00 0.00 0.00 179.25 178.33 2qjk h GLY 21 N 0.05 -0.86 0.63 0.00 0.00 -1.42 -2.05 103.07 99.42 2qjk h GLY 21 Ca 0.62 0.32 0.08 0.00 0.00 0.00 0.00 47.33 48.35 2qjk h GLY 21 CO -0.06 -0.31 0.54 0.00 0.00 0.00 0.00 176.54 176.70 2qjk h ALA 22 N -0.63 1.24 0.00 3.60 0.00 -0.50 -2.07 119.26 120.90 2qjk h ALA 22 Ca -0.08 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2qjk h ALA 22 Cb 0.67 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2qjk h ALA 22 CO 0.14 0.23 -0.27 0.78 0.00 0.00 0.00 179.25 180.13 2qjk h GLY 23 N 0.93 -1.26 -0.53 0.00 0.00 -1.06 -1.39 103.07 99.76 2qjk h GLY 23 Ca 0.40 0.63 0.13 0.00 0.00 0.00 0.00 47.33 48.50 2qjk h GLY 23 CO -0.21 -0.38 -0.27 0.00 0.00 0.00 0.00 176.54 175.68 2qjk h ALA 24 N -0.96 0.26 -0.43 3.60 0.00 -1.01 0.16 119.26 120.89 2qjk h ALA 24 Ca 0.01 0.24 0.07 0.00 0.00 0.00 0.00 54.91 55.23 2qjk h ALA 24 Cb 0.36 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.76 2qjk h ALA 24 CO -0.18 -0.53 -0.44 0.28 0.00 0.00 0.00 179.25 178.38 2qjk h VAL 25 N -0.06 0.10 0.44 0.00 2.07 -0.75 -1.26 116.25 116.79 2qjk h VAL 25 Ca 0.31 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.82 2qjk h VAL 25 Cb 0.56 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 2qjk h VAL 25 CO -0.77 0.00 -0.34 0.00 0.02 0.00 0.00 177.57 176.48 2qjk h ALA 26 N 0.42 -1.09 -0.61 1.67 0.00 -0.19 -1.72 119.26 117.74 2qjk h ALA 26 Ca 0.14 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.01 2qjk h ALA 26 Cb 0.58 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.79 2qjk h ALA 26 CO -0.59 -1.08 -0.19 2.41 0.00 0.00 0.00 179.25 179.79 2qjk n THR 27 N -4.49 -0.29 -0.17 0.00 -1.04 -0.06 0.13 114.28 108.37 2qjk n THR 27 Ca -0.09 1.42 -0.10 0.00 -2.04 0.00 0.00 64.05 63.24 2qjk n THR 27 Cb 0.33 -1.93 -0.00 0.00 -1.82 0.00 0.00 70.33 66.91 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 0.94 0.94 3.41 0.00 -1.01 -1.66 103.07 105.69 2qjk h GLY 28 Ca 0.26 -0.72 0.12 0.00 0.00 0.00 0.00 47.33 46.99 2qjk h GLY 28 CO -0.62 0.66 0.41 0.00 0.00 0.00 0.00 176.54 176.99 2qjk h ALA 29 N 0.91 2.13 0.00 3.60 0.00 0.20 0.14 119.26 126.23 2qjk h ALA 29 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qjk h ALA 29 Cb 0.56 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qjk h ALA 29 CO 0.03 -0.62 -0.01 0.00 0.00 0.00 0.00 179.25 178.65 2qjk h ALA 30 N 1.55 0.00 -0.51 0.00 0.00 -0.73 -3.38 119.26 116.19 2qjk h ALA 30 Ca 0.19 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2qjk h ALA 30 Cb 1.02 0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.72 2qjk h ALA 30 CO -0.00 0.01 -0.17 0.28 0.00 0.00 0.00 179.25 179.36 2qjk h VAL 31 N -1.00 0.41 -0.29 0.00 2.07 -0.35 -3.03 116.25 114.07 2qjk h VAL 31 Ca -0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2qjk h VAL 31 Cb 0.24 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.37 2qjk h VAL 31 CO -0.00 0.00 -0.31 -0.25 0.02 0.00 0.00 177.57 177.03 2qjk h TRP 32 N -0.05 -0.96 -0.40 1.57 -0.00 -0.95 -1.36 115.95 113.80 2qjk h TRP 32 Ca 0.24 0.05 0.12 0.00 -0.00 0.00 0.00 58.89 59.30 2qjk h TRP 32 Cb 0.43 0.45 -0.02 0.00 -0.00 0.00 0.00 29.16 30.03 2qjk h TRP 32 CO -0.47 -0.25 0.29 -1.00 -0.00 0.00 0.00 178.44 177.01 2qjk h PRO 33 N -0.17 0.00 0.00 2.65 0.13 -1.72 0.68 132.00 133.57 2qjk h PRO 33 Ca 0.05 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2qjk h PRO 33 Cb 0.30 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.43 2qjk h PRO 33 CO -0.36 0.00 -0.25 -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 -1.16 -1.59 115.31 117.50 2qjk h LEU 34 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 2qjk h LEU 34 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2qjk h LEU 34 CO -0.00 0.25 -0.70 0.40 0.09 0.00 0.00 178.44 178.48 2qjk h ILE 35 N 0.00 0.45 -0.85 1.22 2.04 0.64 -3.39 117.51 117.62 2qjk h ILE 35 Ca -0.00 -1.51 0.21 0.00 1.00 0.00 0.00 64.86 64.55 2qjk h ILE 35 Cb 0.52 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 2qjk h ILE 35 CO 0.03 0.15 0.58 -1.13 0.00 0.00 0.00 178.15 177.78 2qjk h ASN 36 N -1.00 0.26 -0.56 1.72 -0.00 0.13 -0.61 115.58 115.52 2qjk h ASN 36 Ca -0.13 0.03 0.16 0.00 -0.00 0.00 0.00 56.30 56.36 2qjk h ASN 36 Cb 0.78 -0.02 -0.02 0.00 -0.00 0.00 0.00 38.32 39.05 2qjk h ASN 36 CO -0.08 0.11 0.54 0.06 -0.00 0.00 0.00 177.43 178.06 2qjk h GLN 37 N 0.26 0.00 0.00 6.67 -0.00 -1.48 0.35 115.11 120.91 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 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 2qjk h GLN 37 CO -0.11 0.00 0.00 0.52 -0.00 0.00 0.00 178.83 179.24 2qjk h MET 38 N 0.00 0.00 -7.27 0.06 2.86 -1.35 -3.46 114.93 105.77 2qjk h MET 38 Ca 0.26 0.00 -0.48 0.00 -2.06 0.00 0.00 59.70 57.42 2qjk h MET 38 Cb 1.34 0.00 0.18 0.00 0.06 0.00 0.00 31.60 33.18 2qjk h MET 38 CO -0.00 0.00 0.18 -0.80 1.06 0.00 0.00 176.91 177.35 2qjk s ASN 39 N -5.64 2.71 -0.12 1.22 0.02 0.12 -4.84 114.94 108.41 2qjk s ASN 39 Ca 0.07 1.67 -0.38 0.00 -1.02 0.00 0.00 52.86 53.20 2qjk s ASN 39 Cb 0.07 -2.31 -0.15 0.00 0.02 0.00 0.00 41.25 38.89 2qjk s ASN 39 CO 0.61 -3.15 1.67 -2.65 0.02 0.00 0.00 177.10 173.60 2qjk n PRO 40 N -4.23 1.44 -1.55 -0.60 -0.02 -1.26 -4.94 135.00 123.83 2qjk n PRO 40 Ca 0.07 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 2qjk n PRO 40 Cb 0.54 -2.24 0.07 0.00 -0.02 0.00 0.00 33.50 31.85 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 2.73 4.79 0.29 2.55 1.04 -1.26 -4.80 113.70 119.04 2qjk s SER 41 Ca 0.92 1.97 0.16 0.00 0.48 0.00 0.00 55.95 59.49 2qjk s SER 41 Cb -0.94 -2.54 0.86 0.00 0.10 0.00 0.00 66.02 63.49 2qjk s SER 41 CO 0.56 -1.85 1.43 0.00 0.98 0.00 0.00 173.24 174.36 2qjk n ALA 42 N -2.84 0.84 0.01 5.32 0.00 -1.26 -1.51 120.51 121.07 2qjk n ALA 42 Ca 0.10 0.15 -0.07 0.00 0.00 0.00 0.00 53.44 53.62 2qjk n ALA 42 Cb 0.52 -1.04 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 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 0.40 0.00 2.03 -2.01 -3.33 116.42 113.51 2qjk h ASP 43 Ca 0.00 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 56.00 2qjk h ASP 43 Cb 0.28 0.00 0.02 0.00 -0.83 0.00 0.00 39.33 38.80 2qjk h ASP 43 CO 0.00 0.94 -1.30 0.58 -1.03 0.00 0.00 179.24 178.43 2qjk h VAL 44 N 0.00 1.38 0.00 4.15 2.07 -1.63 -3.20 116.25 119.02 2qjk h VAL 44 Ca -0.19 -2.80 0.00 0.00 0.82 0.00 0.00 66.70 64.54 2qjk h VAL 44 Cb 1.88 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 34.55 2qjk h VAL 44 CO 0.09 0.83 0.00 0.00 0.02 0.00 0.00 177.57 178.51 2qjk n GLN 45 N -3.65 0.23 -2.75 1.57 6.02 -0.99 -4.16 117.38 113.64 2qjk n GLN 45 Ca -0.12 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.44 2qjk n GLN 45 Cb 1.03 -1.08 0.01 0.00 1.02 0.00 0.00 30.24 31.22 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 0.11 5.19 -2.10 -1.58 0.00 -1.21 -4.97 120.51 115.95 2qjk n ALA 46 Ca 0.00 -4.59 -0.39 0.00 0.00 0.00 0.00 53.44 48.46 2qjk n ALA 46 Cb 0.04 -2.63 -0.03 0.00 0.00 0.00 0.00 19.45 16.83 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 -1.57 3.28 0.00 0.00 0.20 -1.26 -4.97 118.68 114.37 2qjk s LEU 47 Ca 0.35 0.28 0.00 0.00 0.69 0.00 0.00 54.13 55.45 2qjk s LEU 47 Cb 0.06 -2.57 0.00 0.00 -0.43 0.00 0.00 46.19 43.25 2qjk s LEU 47 CO 0.06 -2.29 0.00 0.00 -0.29 0.00 0.00 176.35 173.83 2qjk n ALA 48 N 12.26 0.00 -3.47 5.97 0.00 -1.26 -5.10 120.51 128.90 2qjk n ALA 48 Ca 0.18 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.56 2qjk n ALA 48 Cb 0.52 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 -0.35 0.62 0.00 0.01 -1.26 -4.87 113.70 106.84 2qjk s SER 49 Ca 0.00 0.77 0.03 0.00 1.31 0.00 0.00 55.95 58.06 2qjk s SER 49 Cb 0.00 1.50 0.08 0.00 0.21 0.00 0.00 66.02 67.81 2qjk s SER 49 CO 0.00 -0.26 0.86 0.27 0.41 0.00 0.00 173.24 174.52 2qjk s ILE 50 N 2.66 2.35 -0.03 1.44 -4.36 -1.02 -4.97 121.20 117.27 2qjk s ILE 50 Ca 0.06 -0.73 0.03 0.00 -0.26 0.00 0.00 60.65 59.75 2qjk s ILE 50 Cb -0.14 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.96 2qjk s ILE 50 CO -0.16 0.00 -0.11 -0.36 0.24 0.00 0.00 174.94 174.56 2qjk s PHE 51 N -2.88 1.10 -0.18 1.37 0.40 -1.26 -2.91 117.98 113.62 2qjk s PHE 51 Ca 0.62 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2qjk s PHE 51 Cb -0.07 -0.77 0.03 0.00 0.51 0.00 0.00 43.02 42.71 2qjk s PHE 51 CO 0.41 -0.11 -0.17 0.08 0.70 0.00 0.00 175.22 176.13 2qjk s VAL 52 N 0.14 1.93 -0.17 -0.44 1.01 -0.43 -4.98 120.40 117.46 2qjk s VAL 52 Ca -0.03 -0.94 -0.29 0.00 0.00 0.00 0.00 61.98 60.72 2qjk s VAL 52 Cb -0.09 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 2qjk s VAL 52 CO 0.01 0.45 1.07 -0.62 0.00 0.00 0.00 175.10 176.01 2qjk s ASP 53 N 1.32 7.13 -0.16 3.32 2.15 -1.26 -2.00 116.67 127.17 2qjk s ASP 53 Ca 0.03 1.51 0.17 0.00 0.43 0.00 0.00 52.55 54.69 2qjk s ASP 53 Cb -0.14 -2.55 0.39 0.00 -0.30 0.00 0.00 42.92 40.33 2qjk s ASP 53 CO -0.12 -0.60 1.27 0.55 -0.17 0.00 0.00 175.17 176.10 2qjk n VAL 54 N 5.01 2.08 -0.24 1.11 3.14 -0.51 -4.75 118.33 124.18 2qjk n VAL 54 Ca 0.11 -2.20 -0.08 0.00 -2.96 0.00 0.00 64.34 59.22 2qjk n VAL 54 Cb 0.47 -0.25 0.04 0.00 -1.06 0.00 0.00 33.84 33.04 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 0.75 1.02 0.00 6.55 4.64 -1.91 -2.95 113.55 121.65 2qjk h SER 55 Ca 0.01 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 2qjk h SER 55 Cb 1.19 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2qjk h SER 55 CO 0.10 0.99 0.00 -1.54 -0.87 0.00 0.00 176.83 175.51 2qjk n SER 56 N -4.27 1.39 -4.28 4.97 3.41 -1.26 -4.75 113.62 108.83 2qjk n SER 56 Ca 0.04 -1.96 -0.40 0.00 -0.26 0.00 0.00 58.87 56.30 2qjk n SER 56 Cb 0.26 -0.49 -0.10 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.78 4.22 0.82 -3.33 1.01 -1.12 -5.07 120.40 116.15 2qjk s VAL 57 Ca 0.00 -1.33 -0.12 0.00 0.00 0.00 0.00 61.98 60.53 2qjk s VAL 57 Cb 0.00 -3.55 0.09 0.00 0.00 0.00 0.00 36.38 32.92 2qjk s VAL 57 CO 0.00 -0.45 1.19 -1.61 0.00 0.00 0.00 175.10 174.22 2qjk s GLU 58 N 1.43 1.84 0.36 2.72 8.01 -1.26 -4.98 118.70 126.83 2qjk s GLU 58 Ca 0.03 0.09 -0.25 0.00 0.01 0.00 0.00 54.97 54.84 2qjk s GLU 58 Cb -0.22 -1.94 -0.09 0.00 -4.31 0.00 0.00 34.13 27.57 2qjk s GLU 58 CO 0.03 -1.68 1.02 -1.25 0.01 0.00 0.00 175.26 173.39 2qjk s PRO 59 N -5.58 4.35 0.00 0.39 0.04 -1.26 -3.20 135.00 129.73 2qjk s PRO 59 Ca 0.63 1.47 0.00 0.00 0.04 0.00 0.00 61.00 63.14 2qjk s PRO 59 Cb -0.11 -2.68 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2qjk s PRO 59 CO 0.49 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.98 2qjk n GLY 60 N 0.47 0.86 3.29 0.56 0.00 0.28 -4.90 105.19 105.75 2qjk n GLY 60 Ca 0.03 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 2.11 -0.09 1.61 1.01 -1.19 -4.98 120.40 116.87 2qjk s VAL 61 Ca 0.00 -1.06 -0.02 0.00 0.00 0.00 0.00 61.98 60.90 2qjk s VAL 61 Cb 0.00 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.59 2qjk s VAL 61 CO 0.00 0.57 0.01 -1.58 0.00 0.00 0.00 175.10 174.10 2qjk s GLN 62 N -0.32 2.99 -0.26 2.72 0.74 -1.26 -1.71 119.66 122.57 2qjk s GLN 62 Ca 0.01 -0.40 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 2qjk s GLN 62 Cb -0.13 -2.80 0.03 0.00 1.10 0.00 0.00 33.01 31.21 2qjk s GLN 62 CO 0.02 0.71 -0.03 -1.17 -0.55 0.00 0.00 175.29 174.26 2qjk s LEU 63 N -0.89 3.34 -0.25 3.68 2.96 0.22 -4.93 118.68 122.82 2qjk s LEU 63 Ca 0.13 -0.88 -0.09 0.00 -0.22 0.00 0.00 54.13 53.07 2qjk s LEU 63 Cb -0.11 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 2qjk s LEU 63 CO 0.02 -0.15 0.13 -0.89 -1.32 0.00 0.00 176.35 174.15 2qjk s THR 64 N 1.35 4.97 0.00 3.68 2.01 -1.26 -1.60 115.64 124.79 2qjk s THR 64 Ca 0.00 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.10 2qjk s THR 64 Cb -0.17 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 2qjk s THR 64 CO -0.03 0.33 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.37 2qjk s VAL 65 N 1.31 1.35 0.47 3.82 1.01 -0.82 -4.94 120.40 122.61 2qjk s VAL 65 Ca 0.06 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2qjk s VAL 65 Cb -0.15 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.02 2qjk s VAL 65 CO 0.06 0.31 0.88 -0.75 0.00 0.00 0.00 175.10 175.60 2qjk s LYS 66 N -0.59 3.84 -0.29 2.72 2.20 -1.26 -0.36 119.74 126.00 2qjk s LYS 66 Ca 0.06 0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 56.21 2qjk s LYS 66 Cb -0.07 -2.26 0.15 0.00 -1.51 0.00 0.00 37.83 34.14 2qjk s LYS 66 CO -0.00 -0.18 0.99 0.12 -0.36 0.00 0.00 175.35 175.92 2qjk s PHE 67 N -2.54 -0.55 -1.09 4.03 5.36 -0.01 -4.88 117.98 118.31 2qjk s PHE 67 Ca 0.55 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.61 2qjk s PHE 67 Cb -0.10 0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.91 2qjk s PHE 67 CO 0.33 -0.27 0.00 1.28 -1.46 0.00 0.00 175.22 175.10 2qjk n LEU 68 N 3.67 -1.16 0.00 6.12 4.77 -1.26 -0.84 117.00 128.30 2qjk n LEU 68 Ca -0.19 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2qjk n LEU 68 Cb 0.58 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.51 2qjk n LEU 68 CO 0.02 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 2qjk n GLY 69 N -0.78 1.97 3.52 -0.72 0.00 -1.26 -5.01 105.19 102.91 2qjk n GLY 69 Ca -0.15 0.00 -0.24 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 -0.08 1.84 0.61 1.61 1.02 -0.02 -5.08 119.74 119.63 2qjk s LYS 70 Ca 0.00 -1.70 -0.14 0.00 0.02 0.00 0.00 55.97 54.15 2qjk s LYS 70 Cb 0.00 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.42 2qjk s LYS 70 CO 0.00 0.32 1.04 -1.25 -0.92 0.00 0.00 175.35 174.54 2qjk s PRO 71 N -3.56 3.36 -0.05 -1.68 0.04 -1.26 -0.83 135.00 131.02 2qjk s PRO 71 Ca 0.31 1.03 -0.01 0.00 0.04 0.00 0.00 61.00 62.37 2qjk s PRO 71 Cb -0.05 -2.05 0.03 0.00 0.04 0.00 0.00 34.50 32.48 2qjk s PRO 71 CO 0.16 -0.76 0.01 0.42 0.04 0.00 0.00 177.00 176.87 2qjk s ILE 72 N -2.75 0.22 0.00 0.56 1.01 0.52 -2.20 121.20 118.56 2qjk s ILE 72 Ca 0.60 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 61.23 2qjk s ILE 72 Cb -0.14 -0.37 -0.06 0.00 0.01 0.00 0.00 42.46 41.90 2qjk s ILE 72 CO 0.43 0.21 0.54 -0.36 0.00 0.00 0.00 174.94 175.76 2qjk s PHE 73 N 1.70 3.71 -0.32 3.97 0.08 0.19 -1.94 117.98 125.37 2qjk s PHE 73 Ca 0.00 1.14 -0.02 0.00 0.12 0.00 0.00 56.93 58.18 2qjk s PHE 73 Cb -0.13 -2.51 0.11 0.00 -0.57 0.00 0.00 43.02 39.92 2qjk s PHE 73 CO -0.03 0.45 0.13 0.42 -0.10 0.00 0.00 175.22 176.09 2qjk s ILE 74 N -0.52 0.54 -0.10 0.64 1.01 -0.62 -1.35 121.20 120.79 2qjk s ILE 74 Ca 0.28 -1.29 -0.02 0.00 0.00 0.00 0.00 60.65 59.62 2qjk s ILE 74 Cb -0.18 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.85 2qjk s ILE 74 CO 0.16 -0.74 -0.03 -0.60 0.00 0.00 0.00 174.94 173.73 2qjk s ARG 75 N 1.64 3.13 -0.46 2.79 3.52 -0.45 0.72 118.95 129.84 2qjk s ARG 75 Ca 0.11 -0.49 -0.13 0.00 -0.13 0.00 0.00 55.73 55.09 2qjk s ARG 75 Cb -0.18 -2.77 0.09 0.00 -1.56 0.00 0.00 34.95 30.53 2qjk s ARG 75 CO -0.25 0.54 0.36 0.50 -0.81 0.00 0.00 175.30 175.64 2qjk s ARG 76 N -0.46 2.82 0.56 5.12 3.52 -0.69 -1.60 118.95 128.22 2qjk s ARG 76 Ca 0.07 -1.47 -0.19 0.00 -0.13 0.00 0.00 55.73 54.02 2qjk s ARG 76 Cb -0.12 -4.03 -0.05 0.00 -1.56 0.00 0.00 34.95 29.19 2qjk s ARG 76 CO 0.02 -1.06 1.13 1.03 -0.81 0.00 0.00 175.30 175.61 2qjk s ARG 77 N 1.54 3.26 0.84 5.12 0.52 -0.64 1.00 118.95 130.60 2qjk s ARG 77 Ca 0.04 1.60 -0.09 0.00 -0.52 0.00 0.00 55.73 56.75 2qjk s ARG 77 Cb -0.25 -1.99 0.15 0.00 0.52 0.00 0.00 34.95 33.38 2qjk s ARG 77 CO 0.04 -0.92 1.16 0.95 0.02 0.00 0.00 175.30 176.55 2qjk s THR 78 N -1.83 2.08 0.03 0.02 -4.23 -1.26 -4.51 115.64 105.94 2qjk s THR 78 Ca 0.72 -0.25 -0.23 0.00 -1.18 0.00 0.00 61.69 60.76 2qjk s THR 78 Cb -0.24 -2.84 -0.15 0.00 1.34 0.00 0.00 72.50 70.61 2qjk s THR 78 CO 0.29 0.00 1.40 -0.33 -0.54 0.00 0.00 174.62 175.44 2qjk h GLU 79 N -1.09 0.18 -0.86 3.99 5.08 -1.98 -0.80 114.58 119.10 2qjk h GLU 79 Ca -0.42 -0.07 0.19 0.00 -1.00 0.00 0.00 59.36 58.06 2qjk h GLU 79 Cb 1.26 -0.01 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 2qjk h GLU 79 CO 0.43 0.51 -0.13 0.00 -1.00 0.00 0.00 179.01 178.82 2qjk h ALA 80 N 0.67 0.71 0.70 3.43 0.00 -1.99 0.80 119.26 123.57 2qjk h ALA 80 Ca 0.02 0.32 -0.03 0.00 0.00 0.00 0.00 54.91 55.21 2qjk h ALA 80 Cb 0.45 0.59 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2qjk h ALA 80 CO 0.01 -0.43 -0.33 -0.44 0.00 0.00 0.00 179.25 178.05 2qjk h ASP 81 N 0.02 -0.79 -0.32 0.00 3.32 -1.85 -2.84 116.42 113.96 2qjk h ASP 81 Ca 0.44 -0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.59 2qjk h ASP 81 Cb 0.75 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2qjk h ASP 81 CO -0.84 -0.48 0.23 0.40 -1.72 0.00 0.00 179.24 176.83 2qjk h ILE 82 N -1.07 0.83 0.00 0.35 2.04 0.44 -2.58 117.51 117.52 2qjk h ILE 82 Ca -0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.76 2qjk h ILE 82 Cb 0.75 0.84 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2qjk h ILE 82 CO 0.16 0.00 0.00 1.21 0.00 0.00 0.00 178.15 179.52 2qjk n GLU 83 N -4.44 0.00 -0.34 2.37 4.07 0.26 -2.81 120.64 119.75 2qjk n GLU 83 Ca 0.05 0.31 0.29 0.00 -0.06 0.00 0.00 57.16 57.75 2qjk n GLU 83 Cb 0.41 -1.30 0.60 0.00 -0.06 0.00 0.00 31.44 31.09 2qjk n GLU 83 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 2qjk h LEU 84 N 0.00 0.29 -0.63 4.31 4.07 -1.36 -0.03 115.31 121.95 2qjk h LEU 84 Ca 0.00 0.07 0.03 0.00 0.08 0.00 0.00 57.88 58.06 2qjk h LEU 84 Cb 0.00 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 41.72 2qjk h LEU 84 CO 0.00 0.02 0.39 1.23 -1.08 0.00 0.00 178.44 179.00 2qjk h GLY 85 N 0.24 0.90 2.00 0.83 0.00 -1.42 -2.12 103.07 103.50 2qjk h GLY 85 Ca 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.66 2qjk h GLY 85 CO -0.23 0.24 0.00 0.54 0.00 0.00 0.00 176.54 177.09 2qjk n ARG 86 N -4.72 0.26 -0.03 4.80 1.74 -0.07 -3.27 116.66 115.36 2qjk n ARG 86 Ca 0.06 0.21 0.12 0.00 -0.77 0.00 0.00 57.85 57.47 2qjk n ARG 86 Cb 0.09 -1.80 0.54 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.25 0.89 -4.81 0.55 3.41 -0.80 -4.80 113.62 105.81 2qjk n SER 87 Ca 0.06 -1.48 -0.36 0.00 -0.26 0.00 0.00 58.87 56.83 2qjk n SER 87 Cb 0.43 -0.04 -0.07 0.00 -0.26 0.00 0.00 64.21 64.27 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 -1.92 5.45 -0.07 -3.33 1.01 -1.19 -5.06 120.40 115.29 2qjk s VAL 88 Ca 0.34 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.35 2qjk s VAL 88 Cb 0.17 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 2qjk s VAL 88 CO 0.28 0.53 0.58 -1.10 0.00 0.00 0.00 175.10 175.39 2qjk s GLN 89 N -0.36 4.35 0.27 2.72 -0.21 -1.26 -4.90 119.66 120.26 2qjk s GLN 89 Ca 0.12 0.66 0.00 0.00 0.02 0.00 0.00 55.36 56.16 2qjk s GLN 89 Cb -0.12 -3.41 0.00 0.00 1.00 0.00 0.00 33.01 30.49 2qjk s GLN 89 CO 0.02 0.20 0.69 -0.11 -2.12 0.00 0.00 175.29 173.97 2qjk n LEU 90 N 3.38 0.00 -0.29 2.90 7.94 -1.26 0.62 117.00 130.30 2qjk n LEU 90 Ca -0.05 0.20 0.12 0.00 -1.11 0.00 0.00 56.01 55.16 2qjk n LEU 90 Cb 0.51 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.57 2qjk n LEU 90 CO 0.44 -0.20 0.36 0.61 -1.11 0.00 0.00 177.39 177.49 2qjk n GLY 91 N -1.19 -0.46 1.03 -3.96 0.00 -1.26 -3.97 105.19 95.39 2qjk n GLY 91 Ca 0.00 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.60 2qjk n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2qjk n GLN 92 N -0.61 2.34 -3.23 1.61 6.02 0.20 -4.93 117.38 118.78 2qjk n GLN 92 Ca 0.09 -2.09 -0.34 0.00 -0.01 0.00 0.00 57.00 54.65 2qjk n GLN 92 Cb 0.40 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 2qjk n GLN 92 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2qjk s LEU 93 N -1.63 4.21 -0.04 1.08 1.43 -1.25 -4.98 118.68 117.50 2qjk s LEU 93 Ca 0.33 1.20 0.05 0.00 -1.03 0.00 0.00 54.13 54.67 2qjk s LEU 93 Cb 0.21 -3.72 -0.25 0.00 0.03 0.00 0.00 46.19 42.46 2qjk s LEU 93 CO 0.30 -0.06 0.69 0.58 0.23 0.00 0.00 176.35 178.08 2qjk h VAL 94 N 2.32 0.93 -3.55 -1.59 2.07 -1.92 -3.42 116.25 111.09 2qjk h VAL 94 Ca -0.48 -2.70 -0.67 0.00 0.82 0.00 0.00 66.70 63.67 2qjk h VAL 94 Cb 1.18 2.54 -0.28 0.00 -1.52 0.00 0.00 31.29 33.22 2qjk h VAL 94 CO 0.66 0.69 -0.67 -0.62 0.02 0.00 0.00 177.57 177.65 2qjk s ASP 95 N -6.54 4.77 0.09 0.57 -1.08 -1.26 -4.94 116.67 108.28 2qjk s ASP 95 Ca -0.09 -0.66 0.10 0.00 -0.52 0.00 0.00 52.55 51.38 2qjk s ASP 95 Cb 0.08 -1.80 -0.19 0.00 -1.46 0.00 0.00 42.92 39.55 2qjk s ASP 95 CO 0.82 -0.13 1.11 0.74 0.52 0.00 0.00 175.17 178.22 2qjk h THR 96 N 5.89 1.35 -3.80 1.71 2.02 -1.90 -3.44 112.91 114.74 2qjk h THR 96 Ca -0.34 -3.06 -0.52 0.00 0.77 0.00 0.00 66.41 63.26 2qjk h THR 96 Cb 1.13 2.66 0.05 0.00 -1.74 0.00 0.00 68.15 70.25 2qjk h THR 96 CO 0.59 0.77 0.59 0.21 0.37 0.00 0.00 175.52 178.05 2qjk s ASN 97 N -6.48 6.94 0.53 4.18 3.84 -1.26 0.12 114.94 122.80 2qjk s ASN 97 Ca -0.00 2.53 0.31 0.00 0.21 0.00 0.00 52.86 55.90 2qjk s ASN 97 Cb 0.09 -2.64 1.38 0.00 -0.55 0.00 0.00 41.25 39.54 2qjk s ASN 97 CO 0.81 -0.41 2.01 0.00 -2.79 0.00 0.00 177.10 176.72 2qjk h ALA 98 N 3.74 1.08 -6.36 1.71 0.00 -1.76 -3.39 119.26 114.29 2qjk h ALA 98 Ca -0.48 -0.09 -0.48 0.00 0.00 0.00 0.00 54.91 53.86 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 0.67 0.12 -0.78 0.54 0.00 0.00 0.00 179.25 179.80 2qjk n ARG 99 N -3.32 -5.01 -3.95 0.00 5.12 -1.26 -4.73 116.66 103.51 2qjk n ARG 99 Ca -0.01 0.56 -0.35 0.00 -1.93 0.00 0.00 57.85 56.12 2qjk n ARG 99 Cb 0.30 -5.35 -0.14 0.00 -1.16 0.00 0.00 32.46 26.10 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 -3.47 4.20 0.44 0.55 3.84 -1.26 -1.81 114.94 117.42 2qjk s ASN 100 Ca 0.58 -0.66 0.24 0.00 0.21 0.00 0.00 52.86 53.22 2qjk s ASN 100 Cb -0.29 -1.68 0.88 0.00 -0.55 0.00 0.00 41.25 39.61 2qjk s ASN 100 CO 0.85 -0.08 1.81 0.00 -2.79 0.00 0.00 177.10 176.89 2qjk h ALA 101 N 8.05 1.00 -0.11 1.71 0.00 -1.80 -3.03 119.26 125.08 2qjk h ALA 101 Ca -0.37 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.22 2qjk h ALA 101 Cb 1.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2qjk h ALA 101 CO 0.60 0.27 -0.45 -0.91 0.00 0.00 0.00 179.25 178.76 2qjk h ASN 102 N 0.00 0.27 -5.09 0.00 2.35 -1.84 -3.46 115.58 107.82 2qjk h ASN 102 Ca -0.00 -0.12 -0.49 0.00 -0.55 0.00 0.00 56.30 55.14 2qjk h ASN 102 Cb 0.77 -0.08 -0.06 0.00 0.05 0.00 0.00 38.32 39.01 2qjk h ASN 102 CO 0.03 0.69 -0.28 2.30 -1.65 0.00 0.00 177.43 178.52 2qjk n ILE 103 N -3.99 0.00 -1.50 2.81 -5.35 -1.15 -5.09 119.36 105.09 2qjk n ILE 103 Ca -0.02 -1.81 -0.37 0.00 -0.27 0.00 0.00 62.75 60.28 2qjk n ILE 103 Cb 0.51 0.07 0.05 0.00 -1.74 0.00 0.00 39.64 38.53 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 -1.64 -0.20 0.00 7.28 2.03 -1.26 -4.84 116.55 117.93 2qjk n ASP 104 Ca -0.07 0.74 0.12 0.00 0.52 0.00 0.00 54.79 56.10 2qjk n ASP 104 Cb 0.50 -1.29 0.64 0.00 -0.72 0.00 0.00 41.12 40.25 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 -1.88 2.27 0.79 -1.67 0.00 -1.26 -2.77 120.51 115.99 2qjk n ALA 105 Ca 0.13 -0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.53 2qjk n ALA 105 Cb 0.48 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 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 0.77 -0.66 3.01 0.00 0.00 -1.26 -4.93 105.19 102.12 2qjk n GLY 106 Ca 0.13 -0.49 -0.37 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.44 -5.59 -2.45 4.61 0.00 -1.12 -4.86 120.51 109.66 2qjk n ALA 107 Ca 0.03 -1.01 -0.32 0.00 0.00 0.00 0.00 53.44 52.15 2qjk n ALA 107 Cb 0.28 -1.00 -0.13 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.05 2.26 0.00 0.00 2.02 -1.26 -3.00 118.70 116.66 2qjk s GLU 108 Ca 0.39 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.52 2qjk s GLU 108 Cb -0.05 -2.25 0.00 0.00 0.10 0.00 0.00 34.13 31.93 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 1.96 1.09 -1.76 5.21 0.00 0.32 -4.48 120.51 122.85 2qjk n ALA 109 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.88 2qjk n ALA 109 Cb 0.52 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.95 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 3.32 0.56 0.00 -4.23 -1.26 -4.87 115.64 110.14 2qjk s THR 110 Ca 0.00 1.27 0.32 0.00 -1.18 0.00 0.00 61.69 62.10 2qjk s THR 110 Cb 0.00 -3.79 0.47 0.00 1.34 0.00 0.00 72.50 70.52 2qjk s THR 110 CO 0.00 0.26 1.83 -0.78 -0.54 0.00 0.00 174.62 175.40 2qjk h ASP 111 N 3.48 0.00 0.47 3.99 1.82 -1.87 0.75 116.42 125.06 2qjk h ASP 111 Ca -0.47 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.04 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 0.66 0.00 -0.55 1.56 -1.61 0.00 0.00 179.24 179.30 2qjk h GLN 112 N 0.00 0.08 -0.08 0.28 7.50 -1.92 -2.92 115.11 118.04 2qjk h GLN 112 Ca 0.41 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.51 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 0.60 0.00 0.09 -1.50 0.00 0.00 178.83 178.02 2qjk n ASN 113 N -3.90 1.02 -0.01 1.46 3.02 0.26 -3.76 115.26 113.35 2qjk n ASN 113 Ca -0.02 -1.54 0.08 0.00 -0.03 0.00 0.00 54.58 53.07 2qjk n ASN 113 Cb 0.56 -0.05 -0.12 0.00 -0.61 0.00 0.00 39.78 39.56 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 -0.13 0.84 -3.05 3.52 5.12 -1.07 -4.88 116.66 117.01 2qjk n ARG 114 Ca 0.16 -0.11 -0.18 0.00 -1.93 0.00 0.00 57.85 55.80 2qjk n ARG 114 Cb 0.24 -1.36 0.03 0.00 -1.16 0.00 0.00 32.46 30.20 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 -2.98 2.69 -0.18 0.55 -4.23 -1.22 -4.50 115.64 105.75 2qjk s THR 115 Ca -0.02 -1.02 0.04 0.00 -1.18 0.00 0.00 61.69 59.51 2qjk s THR 115 Cb 0.11 -2.71 -0.22 0.00 1.34 0.00 0.00 72.50 71.03 2qjk s THR 115 CO 0.69 0.00 0.10 0.18 -0.54 0.00 0.00 174.62 175.05 2qjk n LEU 116 N -1.97 2.04 -4.96 4.79 4.77 -0.82 -4.97 117.00 115.87 2qjk n LEU 116 Ca 0.10 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.91 2qjk n LEU 116 Cb 0.60 -0.55 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2qjk n LEU 116 CO 0.39 0.76 0.30 1.51 -1.33 0.00 0.00 177.39 179.03 2qjk s ASP 117 N -6.40 5.62 0.29 -1.43 -4.77 -1.26 -5.01 116.67 103.71 2qjk s ASP 117 Ca -0.23 0.14 0.17 0.00 -3.30 0.00 0.00 52.55 49.34 2qjk s ASP 117 Cb 0.08 -1.26 0.10 0.00 -1.09 0.00 0.00 42.92 40.76 2qjk s ASP 117 CO 0.72 -0.86 1.41 -0.33 0.70 0.00 0.00 175.17 176.81 2qjk h GLU 118 N 0.29 0.00 0.00 2.11 3.07 -1.94 -3.08 114.58 115.04 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 0.55 0.35 0.00 0.00 -1.40 0.00 0.00 179.01 178.51 2qjk n ALA 119 N -2.21 2.08 -2.86 3.43 0.00 -1.26 -4.91 120.51 114.77 2qjk n ALA 119 Ca 0.01 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.27 2qjk n ALA 119 Cb 0.69 -1.41 0.03 0.00 0.00 0.00 0.00 19.45 18.76 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 0.91 -0.02 0.01 0.00 0.00 -1.16 -4.94 105.19 99.97 2qjk n GLY 120 Ca 0.05 -0.19 0.10 0.00 0.00 0.00 0.00 46.02 45.98 2qjk n GLY 120 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2qjk n GLU 121 N -2.90 0.60 -3.82 1.61 2.13 -1.26 -4.71 120.64 112.29 2qjk n GLU 121 Ca -0.05 -0.15 -0.35 0.00 0.66 0.00 0.00 57.16 57.28 2qjk n GLU 121 Cb 0.56 -1.47 -0.12 0.00 0.27 0.00 0.00 31.44 30.69 2qjk n GLU 121 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2qjk s TRP 122 N -3.28 3.48 -0.41 4.31 0.52 -1.26 -1.62 118.94 120.68 2qjk s TRP 122 Ca -0.04 -2.74 -0.18 0.00 0.02 0.00 0.00 56.10 53.16 2qjk s TRP 122 Cb 0.13 -3.11 0.01 0.00 -1.15 0.00 0.00 33.47 29.36 2qjk s TRP 122 CO 0.83 -0.88 0.50 -1.17 0.02 0.00 0.00 176.95 176.25 2qjk s LEU 123 N 0.42 4.63 -0.12 2.99 2.96 -0.63 -1.94 118.68 126.98 2qjk s LEU 123 Ca 0.13 -0.43 0.03 0.00 -0.22 0.00 0.00 54.13 53.65 2qjk s LEU 123 Cb -0.22 -2.52 0.01 0.00 0.50 0.00 0.00 46.19 43.96 2qjk s LEU 123 CO -0.04 -0.60 -0.23 -0.69 -1.32 0.00 0.00 176.35 173.48 2qjk s VAL 124 N 2.37 2.05 0.12 1.68 1.01 -1.26 -1.34 120.40 125.02 2qjk s VAL 124 Ca 0.16 -0.99 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 2qjk s VAL 124 Cb -0.16 -1.80 0.07 0.00 0.00 0.00 0.00 36.38 34.50 2qjk s VAL 124 CO 0.15 0.55 0.75 0.00 0.00 0.00 0.00 175.10 176.55 2qjk s MET 125 N 0.64 1.19 -0.21 2.72 0.23 -0.46 -4.58 119.30 118.84 2qjk s MET 125 Ca -0.11 -0.50 -0.29 0.00 -1.03 0.00 0.00 55.69 53.76 2qjk s MET 125 Cb -0.16 0.50 -0.03 0.00 -1.53 0.00 0.00 34.83 33.61 2qjk s MET 125 CO 0.02 -0.53 1.64 -1.58 -2.03 0.00 0.00 175.02 172.55 2qjk s TRP 126 N -3.52 2.06 0.00 3.16 0.52 0.09 0.57 118.94 121.82 2qjk s TRP 126 Ca 0.05 0.51 -0.03 0.00 0.02 0.00 0.00 56.10 56.65 2qjk s TRP 126 Cb -0.02 -3.99 -0.14 0.00 -1.15 0.00 0.00 33.47 28.18 2qjk s TRP 126 CO -0.08 -3.05 2.36 0.41 0.02 0.00 0.00 176.95 176.62 2qjk n GLY 127 N 4.68 2.28 2.98 0.98 0.00 -0.93 -4.54 105.19 110.64 2qjk n GLY 127 Ca 0.19 -0.62 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 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 1.30 2.65 0.01 1.61 1.01 -1.26 -3.88 120.40 121.84 2qjk s VAL 128 Ca 0.34 -3.05 -0.35 0.00 0.00 0.00 0.00 61.98 58.92 2qjk s VAL 128 Cb 0.16 -2.85 -0.18 0.00 0.00 0.00 0.00 36.38 33.52 2qjk s VAL 128 CO 0.00 -0.76 0.93 0.00 0.00 0.00 0.00 175.10 175.27 2qjk n THR 130 N 1.26 0.00 0.00 0.00 -2.24 -1.26 -2.91 114.28 109.13 2qjk n THR 130 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2qjk n THR 130 Cb 0.08 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 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 -0.85 0.00 0.00 4.78 -0.00 -1.26 -4.44 115.22 113.45 2qjk n HIS 131 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.87 2qjk n HIS 131 Cb 0.07 -0.17 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 -1.01 0.00 0.00 0.27 4.77 -1.26 -4.97 117.00 114.80 2qjk n LEU 132 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 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 1.48 2.54 3.16 -0.72 0.00 -1.15 -5.06 105.19 105.45 2qjk n GLY 133 Ca 0.00 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.47 5.79 0.33 0.00 0.15 -1.25 0.04 113.70 117.29 2qjk s SER 135 Ca 0.47 -1.25 -0.29 0.00 0.70 0.00 0.00 55.95 55.59 2qjk s SER 135 Cb -0.06 -2.04 -0.12 0.00 -1.71 0.00 0.00 66.02 62.08 2qjk s SER 135 CO 0.69 -0.49 1.37 -2.65 1.20 0.00 0.00 173.24 173.35 2qjk n PRO 136 N 5.01 2.27 -2.41 5.44 -0.02 -1.26 -4.90 135.00 139.13 2qjk n PRO 136 Ca -0.11 0.80 -0.43 0.00 -2.02 0.00 0.00 63.50 61.73 2qjk n PRO 136 Cb 0.44 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.47 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 -0.86 4.02 0.00 4.25 1.01 0.03 -4.74 121.20 124.91 2qjk s ILE 137 Ca 0.57 1.08 0.00 0.00 0.00 0.00 0.00 60.65 62.31 2qjk s ILE 137 Cb -0.56 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 37.67 2qjk s ILE 137 CO 0.60 -0.70 0.00 0.61 0.00 0.00 0.00 174.94 175.45 2qjk n GLY 138 N 4.79 1.09 3.03 6.18 0.00 -1.26 -1.82 105.19 117.20 2qjk n GLY 138 Ca 0.15 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.23 3.30 -0.02 0.00 -1.26 -3.82 105.19 108.16 2qjk n GLY 139 Ca 0.00 0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.74 -6.77 -4.63 1.61 0.31 -1.14 -5.02 118.33 98.95 2qjk n VAL 140 Ca -0.19 0.30 -0.22 0.00 -0.01 0.00 0.00 64.34 64.21 2qjk n VAL 140 Cb 0.62 -5.00 -0.15 0.00 -0.91 0.00 0.00 33.84 28.40 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 -2.20 1.66 0.00 4.52 0.01 -1.13 -4.90 113.70 111.67 2qjk s SER 141 Ca 0.25 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2qjk s SER 141 Cb -0.04 -0.18 0.00 0.00 0.21 0.00 0.00 66.02 66.01 2qjk s SER 141 CO 0.83 0.17 0.00 0.61 0.41 0.00 0.00 173.24 175.26 2qjk n GLY 142 N 2.68 0.76 0.22 3.44 0.00 -1.26 -3.06 105.19 107.97 2qjk n GLY 142 Ca -0.14 -2.23 0.13 0.00 0.00 0.00 0.00 46.02 43.78 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 0.00 0.88 -0.43 1.61 8.00 -1.26 -4.09 116.55 121.26 2qjk n ASP 143 Ca 0.00 -0.81 0.06 0.00 0.71 0.00 0.00 54.79 54.75 2qjk n ASP 143 Cb 0.00 0.07 0.12 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.71 0.00 -3.52 1.24 3.01 -1.26 -5.00 117.46 111.22 2qjk n PHE 144 Ca 0.13 -0.86 -0.19 0.00 1.01 0.00 0.00 57.45 57.53 2qjk n PHE 144 Cb 0.33 -0.15 0.08 0.00 -0.01 0.00 0.00 39.48 39.72 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 -0.87 -0.39 0.00 1.37 0.00 -1.26 -3.66 105.19 100.38 2qjk n GLY 145 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.38 2.43 3.13 -0.02 0.00 -1.11 -2.30 105.19 105.94 2qjk n GLY 146 Ca -0.22 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 1.46 0.98 -0.15 1.61 0.51 -0.77 -2.82 118.94 119.76 2qjk s TRP 147 Ca 0.00 -0.50 -0.00 0.00 -2.12 0.00 0.00 56.10 53.48 2qjk s TRP 147 Cb 0.00 -0.56 0.03 0.00 -0.81 0.00 0.00 33.47 32.13 2qjk s TRP 147 CO 0.00 -0.01 -0.09 0.12 -0.51 0.00 0.00 176.95 176.46 2qjk s PHE 148 N -1.48 1.85 -0.56 -1.98 5.36 -0.75 -1.25 117.98 119.17 2qjk s PHE 148 Ca -0.04 -1.06 -0.23 0.00 -0.96 0.00 0.00 56.93 54.63 2qjk s PHE 148 Cb -0.09 -1.41 0.05 0.00 -0.34 0.00 0.00 43.02 41.23 2qjk s PHE 148 CO 0.01 -0.61 0.90 0.00 -1.46 0.00 0.00 175.22 174.06 2qjk n PRO 150 N 7.32 0.12 -0.07 0.00 -0.04 -1.26 -1.51 135.00 139.55 2qjk n PRO 150 Ca -0.00 0.20 -0.14 0.00 -0.04 0.00 0.00 63.50 63.52 2qjk n PRO 150 Cb 0.47 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.38 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 -4.17 0.00 -2.60 0.00 8.25 -1.22 -5.06 115.22 110.43 2qjk n HIS 152 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.32 2qjk n HIS 152 Cb 0.56 0.01 0.04 0.00 1.12 0.00 0.00 29.99 31.71 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 -0.22 3.63 -1.41 0.00 -0.57 -4.69 105.19 101.93 2qjk n GLY 153 Ca 0.00 0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.38 5.26 -0.07 1.61 0.01 -1.07 -4.26 113.70 111.81 2qjk s SER 154 Ca 0.20 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.50 2qjk s SER 154 Cb -0.03 -1.71 -0.04 0.00 0.21 0.00 0.00 66.02 64.46 2qjk s SER 154 CO 0.43 0.27 0.04 -1.00 0.41 0.00 0.00 173.24 173.38 2qjk s HIS 155 N -0.23 3.24 0.07 2.43 0.09 0.09 -0.93 115.29 120.05 2qjk s HIS 155 Ca 0.06 0.24 0.06 0.00 -0.00 0.00 0.00 55.06 55.42 2qjk s HIS 155 Cb -0.12 -1.79 -0.03 0.00 -0.00 0.00 0.00 32.58 30.64 2qjk s HIS 155 CO 0.02 0.52 -0.17 0.71 -0.00 0.00 0.00 174.74 175.83 2qjk s TYR 156 N -0.97 1.45 0.64 1.40 1.51 -0.38 -0.54 117.35 120.46 2qjk s TYR 156 Ca 0.16 -0.41 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2qjk s TYR 156 Cb -0.12 -0.83 0.13 0.00 -0.11 0.00 0.00 41.96 41.04 2qjk s TYR 156 CO 0.05 0.09 0.88 -0.40 -1.11 0.00 0.00 175.55 175.06 2qjk n ASP 157 N 1.49 0.98 0.00 2.29 5.68 0.09 -1.85 116.55 125.24 2qjk n ASP 157 Ca -0.19 -1.87 0.02 0.00 -0.50 0.00 0.00 54.79 52.25 2qjk n ASP 157 Cb 0.54 -0.58 0.14 0.00 -1.14 0.00 0.00 41.12 40.08 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 -3.03 0.00 -0.09 -1.12 3.41 -0.97 -0.13 113.62 111.68 2qjk n SER 158 Ca 0.14 -0.33 0.01 0.00 -0.26 0.00 0.00 58.87 58.43 2qjk n SER 158 Cb 0.49 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.46 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 -0.82 2.27 -2.07 7.33 0.00 -1.26 -4.89 120.51 121.07 2qjk n ALA 159 Ca 0.04 -0.77 -0.03 0.00 0.00 0.00 0.00 53.44 52.68 2qjk n ALA 159 Cb 0.02 -0.07 -0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.11 0.26 3.80 0.00 0.00 0.81 -4.94 105.19 105.01 2qjk n GLY 160 Ca 0.02 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -4.16 3.22 0.19 1.61 0.52 -1.25 -1.54 118.95 117.53 2qjk s ARG 161 Ca 0.00 -0.30 -0.30 0.00 -0.52 0.00 0.00 55.73 54.61 2qjk s ARG 161 Cb -0.00 -2.99 -0.08 0.00 0.52 0.00 0.00 34.95 32.40 2qjk s ARG 161 CO 0.00 0.72 1.24 -1.50 0.02 0.00 0.00 175.30 175.78 2qjk s ILE 162 N -1.03 3.43 0.00 1.52 1.10 -1.26 -0.73 121.20 124.23 2qjk s ILE 162 Ca 0.17 1.19 0.00 0.00 -0.51 0.00 0.00 60.65 61.50 2qjk s ILE 162 Cb -0.12 -3.76 0.00 0.00 0.15 0.00 0.00 42.46 38.73 2qjk s ILE 162 CO 0.06 0.19 0.00 0.54 -2.11 0.00 0.00 174.94 173.62 2qjk n ARG 163 N 2.56 3.26 -3.57 3.50 5.12 0.30 -3.82 116.66 124.02 2qjk n ARG 163 Ca 0.05 0.00 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 2qjk n ARG 163 Cb 0.44 -0.35 -0.05 0.00 -1.16 0.00 0.00 32.46 31.34 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 -0.58 0.67 0.00 5.56 2.20 -1.20 -4.93 119.74 121.47 2qjk s LYS 164 Ca 0.00 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2qjk s LYS 164 Cb 0.00 0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2qjk s LYS 164 CO 0.00 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 2qjk n GLY 165 N 0.73 0.50 0.23 5.54 0.00 -1.26 -0.73 105.19 110.21 2qjk n GLY 165 Ca -0.12 -2.12 0.11 0.00 0.00 0.00 0.00 46.02 43.89 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 0.00 0.00 -6.42 1.61 0.13 -1.83 -3.45 132.00 122.04 2qjk h PRO 166 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 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 0.20 0.13 0.00 -0.23 0.00 0.00 178.00 178.10 2qjk n ALA 167 N -2.25 -0.47 0.12 -0.56 0.00 -1.26 -4.88 120.51 111.21 2qjk n ALA 167 Ca -0.01 0.41 0.05 0.00 0.00 0.00 0.00 53.44 53.89 2qjk n ALA 167 Cb 0.36 -2.00 0.09 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 1.70 -3.91 0.00 -0.04 -1.26 -4.95 135.00 127.53 2qjk n PRO 168 Ca 0.11 -1.58 -0.10 0.00 -0.04 0.00 0.00 63.50 61.90 2qjk n PRO 168 Cb 0.30 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.93 1.25 0.37 0.54 2.02 -1.26 -4.81 118.70 115.87 2qjk s GLU 169 Ca 0.17 -1.11 -0.18 0.00 0.02 0.00 0.00 54.97 53.87 2qjk s GLU 169 Cb 0.10 0.42 -0.10 0.00 0.10 0.00 0.00 34.13 34.65 2qjk s GLU 169 CO 0.14 -0.48 0.83 -0.80 0.02 0.00 0.00 175.26 174.96 2qjk s ASN 170 N -2.95 6.84 0.09 -0.19 0.01 -1.26 -4.24 114.94 113.24 2qjk s ASN 170 Ca 0.16 1.45 -0.36 0.00 -0.71 0.00 0.00 52.86 53.40 2qjk s ASN 170 Cb 0.02 -2.44 -0.16 0.00 0.41 0.00 0.00 41.25 39.08 2qjk s ASN 170 CO 0.00 -0.27 1.46 0.18 -1.51 0.00 0.00 177.10 176.96 2qjk n LEU 171 N -0.48 2.23 -4.78 0.60 4.77 -0.59 -4.90 117.00 113.85 2qjk n LEU 171 Ca 0.05 1.10 -0.35 0.00 -0.03 0.00 0.00 56.01 56.77 2qjk n LEU 171 Cb 0.53 -1.27 -0.01 0.00 -2.33 0.00 0.00 43.42 40.34 2qjk n LEU 171 CO 0.40 -0.73 0.78 -2.84 -1.33 0.00 0.00 177.39 173.66 2qjk s PRO 172 N 0.88 3.64 -0.20 3.23 0.02 -1.26 -4.81 135.00 136.49 2qjk s PRO 172 Ca 0.83 1.59 -0.06 0.00 0.02 0.00 0.00 61.00 63.39 2qjk s PRO 172 Cb -0.86 -2.18 -0.03 0.00 0.02 0.00 0.00 34.50 31.45 2qjk s PRO 172 CO 0.45 -0.61 0.03 0.42 -0.33 0.00 0.00 177.00 176.95 2qjk s ILE 173 N -1.74 4.20 0.54 2.83 1.01 -0.75 -0.73 121.20 126.56 2qjk s ILE 173 Ca 0.68 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 61.04 2qjk s ILE 173 Cb -0.23 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 2qjk s ILE 173 CO 0.27 0.42 0.87 -2.16 0.00 0.00 0.00 174.94 174.34 2qjk s PRO 174 N 0.97 3.32 -0.16 2.79 0.04 -1.26 -2.53 135.00 138.17 2qjk s PRO 174 Ca 0.02 0.22 -0.39 0.00 0.04 0.00 0.00 61.00 60.90 2qjk s PRO 174 Cb -0.14 -2.29 -0.16 0.00 0.04 0.00 0.00 34.50 31.95 2qjk s PRO 174 CO 0.02 -0.45 1.65 1.28 0.04 0.00 0.00 177.00 179.55 2qjk n LEU 175 N -2.46 2.31 -3.52 -3.56 4.77 -1.26 -4.70 117.00 108.58 2qjk n LEU 175 Ca 0.03 1.08 -0.15 0.00 -0.03 0.00 0.00 56.01 56.93 2qjk n LEU 175 Cb 0.56 -1.18 -0.05 0.00 -2.33 0.00 0.00 43.42 40.42 2qjk n LEU 175 CO 0.54 -0.55 0.38 0.00 -1.33 0.00 0.00 177.39 176.43 2qjk s ALA 176 N 2.76 -1.59 -0.27 -1.18 0.00 -1.26 -0.53 121.76 119.69 2qjk s ALA 176 Ca 0.94 0.93 -0.30 0.00 0.00 0.00 0.00 51.96 53.53 2qjk s ALA 176 Cb -1.00 0.29 0.18 0.00 0.00 0.00 0.00 23.12 22.59 2qjk s ALA 176 CO 0.59 -0.49 1.31 -1.59 0.00 0.00 0.00 175.76 175.58 2qjk s LYS 177 N -2.07 0.13 0.01 0.00 0.00 -1.25 -4.97 119.74 111.60 2qjk s LYS 177 Ca -0.07 0.03 -0.30 0.00 0.00 0.00 0.00 55.97 55.62 2qjk s LYS 177 Cb -0.01 0.06 -0.05 0.00 0.00 0.00 0.00 37.83 37.83 2qjk s LYS 177 CO 0.02 -0.04 1.29 -0.06 0.00 0.00 0.00 175.35 176.56 2qjk s PHE 178 N -1.10 3.15 -0.57 1.78 0.40 -1.26 -0.96 117.98 119.41 2qjk s PHE 178 Ca 0.08 1.07 0.24 0.00 -0.60 0.00 0.00 56.93 57.72 2qjk s PHE 178 Cb -0.01 -3.53 0.26 0.00 0.51 0.00 0.00 43.02 40.25 2qjk s PHE 178 CO -0.06 -1.81 1.25 0.82 0.70 0.00 0.00 175.22 176.12 2qjk h ILE 179 N 4.76 0.00 -0.53 0.64 1.08 -0.73 -3.47 117.51 119.25 2qjk h ILE 179 Ca -0.38 -0.57 0.00 0.00 -0.39 0.00 0.00 64.86 63.52 2qjk h ILE 179 Cb 1.19 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 36.06 2qjk h ILE 179 CO 0.87 0.00 0.00 -0.90 -0.69 0.00 0.00 178.15 177.43 2qjk n ASP 180 N -2.20 0.00 0.17 1.72 5.68 -1.20 -5.02 116.55 115.70 2qjk n ASP 180 Ca 0.03 -0.13 0.14 0.00 -0.50 0.00 0.00 54.79 54.33 2qjk n ASP 180 Cb 0.46 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.15 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 -3.29 114.58 114.38 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 -0.28 0.00 0.50 0.00 0.00 28.75 28.97 2qjk h GLU 181 CO 0.00 0.00 -0.71 -2.37 -1.00 0.00 0.00 179.01 174.93 2qjk n THR 182 N -4.29 0.21 -3.71 1.13 5.66 -1.26 -4.97 114.28 107.04 2qjk n THR 182 Ca 0.02 -1.00 -0.12 0.00 -3.05 0.00 0.00 64.05 59.90 2qjk n THR 182 Cb 0.30 0.89 -0.13 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.61 -0.14 -0.06 1.09 2.01 -1.24 -1.42 115.64 115.27 2qjk s THR 183 Ca 0.19 0.17 -0.00 0.00 0.31 0.00 0.00 61.69 62.35 2qjk s THR 183 Cb 0.26 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 72.30 2qjk s THR 183 CO -0.09 0.07 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.26 2qjk s ILE 184 N 1.59 4.10 -0.66 1.82 1.01 -0.85 0.04 121.20 128.24 2qjk s ILE 184 Ca -0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 60.65 60.14 2qjk s ILE 184 Cb -0.10 -2.73 0.17 0.00 0.01 0.00 0.00 42.46 39.81 2qjk s ILE 184 CO -0.09 0.56 0.50 -1.58 0.00 0.00 0.00 174.94 174.33 2qjk s GLN 185 N -1.00 2.77 0.18 2.79 0.74 -0.13 -1.32 119.66 123.69 2qjk s GLN 185 Ca 0.14 -2.50 -0.30 0.00 0.05 0.00 0.00 55.36 52.74 2qjk s GLN 185 Cb -0.11 -3.88 -0.09 0.00 1.10 0.00 0.00 33.01 30.04 2qjk s GLN 185 CO 0.04 -1.20 1.34 -0.51 -0.55 0.00 0.00 175.29 174.41 2qjk s LEU 186 N 0.01 4.40 0.00 3.68 1.43 -1.15 -3.86 118.68 123.19 2qjk s LEU 186 Ca 0.17 2.39 0.00 0.00 -1.03 0.00 0.00 54.13 55.66 2qjk s LEU 186 Cb -0.18 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2qjk s LEU 186 CO -0.04 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.57