#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnx h GLN 6 N 0.00 0.91 -0.36 -0.67 4.20 -2.04 -2.79 115.11 114.36 1tnx h GLN 6 Ca 0.00 -0.45 -0.15 0.00 0.06 0.00 0.00 58.65 58.11 1tnx h GLN 6 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1tnx h GLN 6 CO 0.00 1.10 -0.34 1.96 -0.67 0.00 0.00 178.83 180.88 1tnx h GLN 7 N 0.76 0.87 0.00 1.46 4.20 -1.98 -0.23 115.11 120.19 1tnx h GLN 7 Ca 0.07 -0.45 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1tnx h GLN 7 Cb 0.92 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.71 1tnx h GLN 7 CO 0.08 1.10 0.00 0.00 -0.67 0.00 0.00 178.83 179.34 1tnx n ALA 8 N -2.53 1.51 -0.09 3.87 0.00 -1.16 -1.38 120.51 120.74 1tnx n ALA 8 Ca -0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.22 1tnx n ALA 8 Cb 0.52 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 1tnx n ALA 8 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tnx n GLU 9 N -1.48 0.41 0.24 0.00 1.02 -1.01 -4.11 120.64 115.71 1tnx n GLU 9 Ca 0.03 0.13 0.09 0.00 -0.02 0.00 0.00 57.16 57.39 1tnx n GLU 9 Cb 0.12 -1.25 0.60 0.00 -0.02 0.00 0.00 31.44 30.89 1tnx n GLU 9 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1tnx h ALA 10 N -0.30 1.35 -0.21 0.62 0.00 -1.00 -1.87 119.26 117.84 1tnx h ALA 10 Ca -0.42 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1tnx h ALA 10 Cb 1.51 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1tnx h ALA 10 CO -0.16 0.23 -0.10 -0.09 0.00 0.00 0.00 179.25 179.13 1tnx h ARG 11 N 0.00 0.45 0.00 0.00 2.43 -1.43 -2.61 114.38 113.21 1tnx h ARG 11 Ca -0.00 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1tnx h ARG 11 Cb 0.43 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1tnx h ARG 11 CO 0.02 0.72 0.00 0.00 -1.51 0.00 0.00 179.97 179.21 1tnx h ALA 12 N 0.71 1.00 -0.28 2.80 0.00 -1.58 -2.99 119.26 118.92 1tnx h ALA 12 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1tnx h ALA 12 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1tnx h ALA 12 CO 0.03 0.00 -0.06 0.35 0.00 0.00 0.00 179.25 179.57 1tnx h PHE 13 N 0.00 0.60 -3.32 0.00 3.04 -0.96 -3.41 116.94 112.89 1tnx h PHE 13 Ca 0.00 -0.12 -0.66 0.00 3.98 0.00 0.00 57.97 61.17 1tnx h PHE 13 Cb 0.43 -0.15 -0.28 0.00 2.56 0.00 0.00 35.95 38.52 1tnx h PHE 13 CO 0.00 0.73 -0.76 -0.48 -2.02 0.00 0.00 178.31 175.77 1tnx s LEU 14 N -9.34 2.71 0.00 0.59 2.34 -1.13 -5.09 118.68 108.76 1tnx s LEU 14 Ca -0.13 -0.38 -0.11 0.00 0.06 0.00 0.00 54.13 53.56 1tnx s LEU 14 Cb 0.08 -1.64 0.15 0.00 -0.56 0.00 0.00 46.19 44.23 1tnx s LEU 14 CO 0.77 0.09 0.88 -1.20 -1.06 0.00 0.00 176.35 175.84 1tnx n SER 15 N 4.02 -0.02 0.26 1.48 7.64 -1.26 -4.67 113.62 121.06 1tnx n SER 15 Ca -0.18 -1.30 0.09 0.00 1.01 0.00 0.00 58.87 58.48 1tnx n SER 15 Cb 0.52 -0.68 0.66 0.00 -1.01 0.00 0.00 64.21 63.70 1tnx n SER 15 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1tnx h GLU 16 N 0.00 0.00 -0.15 1.43 5.08 -1.98 -1.38 114.58 117.58 1tnx h GLU 16 Ca -0.29 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 1tnx h GLU 16 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1tnx h GLU 16 CO 0.20 0.07 0.01 1.49 -1.00 0.00 0.00 179.01 179.79 1tnx h GLU 17 N 0.00 0.26 -0.14 2.33 4.81 -2.00 -1.45 114.58 118.38 1tnx h GLU 17 Ca -0.00 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1tnx h GLU 17 Cb 0.14 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1tnx h GLU 17 CO 0.01 0.46 -0.05 1.98 -0.73 0.00 0.00 179.01 180.67 1tnx h MET 18 N 0.02 0.29 -0.98 1.92 4.05 -1.80 -2.96 114.93 115.47 1tnx h MET 18 Ca 0.04 -0.12 0.21 0.00 -0.28 0.00 0.00 59.70 59.55 1tnx h MET 18 Cb 0.33 -0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.03 1tnx h MET 18 CO 0.00 0.60 0.62 0.82 0.23 0.00 0.00 176.91 179.18 1tnx h ILE 19 N -0.03 0.67 -0.30 1.77 2.04 -1.20 -0.24 117.51 120.21 1tnx h ILE 19 Ca 0.03 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.69 1tnx h ILE 19 Cb 0.50 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1tnx h ILE 19 CO 0.02 0.11 0.19 0.00 0.00 0.00 0.00 178.15 178.46 1tnx h ALA 20 N 1.63 0.38 -0.61 1.87 0.00 -1.09 0.17 119.26 121.61 1tnx h ALA 20 Ca 0.55 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.36 1tnx h ALA 20 Cb 1.08 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1tnx h ALA 20 CO -0.30 -0.13 0.16 1.49 0.00 0.00 0.00 179.25 180.46 1tnx h GLU 21 N 0.39 0.96 0.00 0.00 4.81 -1.07 -1.85 114.58 117.82 1tnx h GLU 21 Ca 0.11 -0.21 -0.08 0.00 -0.13 0.00 0.00 59.36 59.06 1tnx h GLU 21 Cb -0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 1tnx h GLU 21 CO -0.02 0.85 -0.37 0.74 -0.73 0.00 0.00 179.01 179.48 1tnx h PHE 22 N 0.92 0.00 0.00 0.92 0.04 -0.67 -2.57 116.94 115.58 1tnx h PHE 22 Ca 0.20 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 1tnx h PHE 22 Cb 0.32 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1tnx h PHE 22 CO 0.02 0.37 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.66 1tnx h LYS 23 N 0.00 0.00 -0.08 1.51 3.64 0.18 -2.38 116.57 119.44 1tnx h LYS 23 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1tnx h LYS 23 Cb 0.69 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1tnx h LYS 23 CO 0.05 0.22 0.04 0.00 -2.27 0.00 0.00 179.45 177.49 1tnx h ALA 24 N 1.78 0.10 0.00 5.00 0.00 -1.34 -1.42 119.26 123.38 1tnx h ALA 24 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1tnx h ALA 24 Cb 0.40 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1tnx h ALA 24 CO 0.03 -0.42 -0.43 0.00 0.00 0.00 0.00 179.25 178.43 1tnx h ALA 25 N 1.04 1.09 -0.40 0.00 0.00 -1.63 -3.12 119.26 116.24 1tnx h ALA 25 Ca 0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 1tnx h ALA 25 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1tnx h ALA 25 CO -0.02 0.54 -0.14 0.35 0.00 0.00 0.00 179.25 179.98 1tnx h PHE 26 N 0.00 0.91 0.00 0.00 3.57 -0.89 -2.98 116.94 117.55 1tnx h PHE 26 Ca -0.00 -0.21 -0.03 0.00 3.53 0.00 0.00 57.97 61.25 1tnx h PHE 26 Cb 0.87 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1tnx h PHE 26 CO 0.00 0.95 -0.15 0.38 -2.23 0.00 0.00 178.31 177.26 1tnx h ASP 27 N 0.62 0.00 0.18 0.41 2.03 -1.21 -2.11 116.42 116.34 1tnx h ASP 27 Ca 0.10 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.39 1tnx h ASP 27 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1tnx h ASP 27 CO 0.05 0.15 -0.08 0.00 -1.03 0.00 0.00 179.24 178.32 1tnx h MET 28 N 0.00 -0.23 0.00 4.15 -0.00 -1.55 -2.19 114.93 115.11 1tnx h MET 28 Ca -0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 59.70 59.69 1tnx h MET 28 Cb 0.28 0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 31.93 1tnx h MET 28 CO 0.02 -0.01 -0.10 0.74 -0.00 0.00 0.00 176.91 177.56 1tnx h PHE 29 N -0.42 0.00 -0.31 -0.10 0.04 -1.53 -2.65 116.94 111.97 1tnx h PHE 29 Ca -0.02 0.00 -0.22 0.00 2.80 0.00 0.00 57.97 60.53 1tnx h PHE 29 Cb 0.32 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.39 1tnx h PHE 29 CO -0.01 0.10 0.07 -3.47 -0.60 0.00 0.00 178.31 174.40 1tnx n ASP 30 N -3.95 5.80 0.08 2.17 4.64 -0.81 -4.52 116.55 119.96 1tnx n ASP 30 Ca -0.02 -2.74 0.03 0.00 -1.38 0.00 0.00 54.79 50.68 1tnx n ASP 30 Cb 0.19 -1.21 0.40 0.00 -1.04 0.00 0.00 41.12 39.47 1tnx n ASP 30 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1tnx h ALA 31 N 2.00 1.57 0.00 -1.67 0.00 -1.52 -2.68 119.26 116.97 1tnx h ALA 31 Ca 0.19 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1tnx h ALA 31 Cb 1.06 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 1tnx h ALA 31 CO 0.41 0.32 -1.05 0.22 0.00 0.00 0.00 179.25 179.15 1tnx h ASP 32 N 0.34 0.00 -5.00 0.00 1.82 -1.90 -3.50 116.42 108.19 1tnx h ASP 32 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1tnx h ASP 32 Cb 0.23 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.24 1tnx h ASP 32 CO 0.00 0.64 0.00 0.61 -1.61 0.00 0.00 179.24 178.88 1tnx n GLY 33 N 1.34 2.69 0.00 -0.78 0.00 -1.01 -5.12 105.19 102.31 1tnx n GLY 33 Ca -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.11 1tnx n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnx n GLY 34 N 0.71 0.19 0.00 -0.02 0.00 -1.26 -4.81 105.19 100.00 1tnx n GLY 34 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 1tnx n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnx n GLY 35 N 0.00 -1.00 3.23 -0.02 0.00 -1.26 -4.99 105.19 101.15 1tnx n GLY 35 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 1tnx n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tnx s ASP 36 N -0.09 0.16 0.12 1.61 1.11 -1.26 -4.03 116.67 114.28 1tnx s ASP 36 Ca 0.00 -0.82 0.02 0.00 0.18 0.00 0.00 52.55 51.94 1tnx s ASP 36 Cb 0.00 0.35 -0.04 0.00 1.07 0.00 0.00 42.92 44.30 1tnx s ASP 36 CO 0.00 -0.76 0.19 -0.63 1.18 0.00 0.00 175.17 175.15 1tnx s ILE 37 N -3.92 5.00 0.41 0.77 -1.09 0.23 -4.89 121.20 117.71 1tnx s ILE 37 Ca 0.11 -0.71 0.04 0.00 -2.23 0.00 0.00 60.65 57.85 1tnx s ILE 37 Cb 0.05 -3.50 -0.03 0.00 -1.58 0.00 0.00 42.46 37.40 1tnx s ILE 37 CO -0.06 0.01 0.11 -0.44 -1.23 0.00 0.00 174.94 173.33 1tnx s SER 38 N -2.85 2.89 0.08 3.58 0.01 -1.26 -0.08 113.70 116.07 1tnx s SER 38 Ca 0.33 -1.65 -0.18 0.00 1.31 0.00 0.00 55.95 55.75 1tnx s SER 38 Cb -0.12 0.46 -0.09 0.00 0.21 0.00 0.00 66.02 66.49 1tnx s SER 38 CO 0.26 -0.90 1.48 0.74 0.41 0.00 0.00 173.24 175.22 1tnx h THR 39 N 1.77 1.28 -0.19 1.44 2.02 -1.92 -1.48 112.91 115.83 1tnx h THR 39 Ca -0.36 -1.06 -0.02 0.00 0.77 0.00 0.00 66.41 65.74 1tnx h THR 39 Cb 1.28 1.47 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1tnx h THR 39 CO 0.59 0.33 0.06 0.07 0.37 0.00 0.00 175.52 176.94 1tnx h LYS 40 N 0.22 0.30 -0.39 6.66 2.10 -1.96 -2.60 116.57 120.90 1tnx h LYS 40 Ca 0.06 -0.07 0.01 0.00 -2.00 0.00 0.00 60.65 58.65 1tnx h LYS 40 Cb 0.52 -0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.79 1tnx h LYS 40 CO 0.02 0.41 0.26 0.93 -2.00 0.00 0.00 179.45 179.07 1tnx h GLU 41 N 0.14 0.49 0.51 0.07 5.08 -1.92 -2.61 114.58 116.33 1tnx h GLU 41 Ca 0.06 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1tnx h GLU 41 Cb 0.23 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1tnx h GLU 41 CO -0.00 0.32 -0.24 1.25 -1.00 0.00 0.00 179.01 179.34 1tnx h LEU 42 N 0.50 -0.57 -1.51 1.33 5.85 -0.89 -2.11 115.31 117.91 1tnx h LEU 42 Ca 0.14 -0.02 0.11 0.00 0.84 0.00 0.00 57.88 58.95 1tnx h LEU 42 Cb -0.03 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.10 1tnx h LEU 42 CO -0.03 -0.34 0.47 1.23 -0.34 0.00 0.00 178.44 179.42 1tnx h GLY 43 N -0.77 0.79 1.01 3.75 0.00 -1.25 -0.90 103.07 105.70 1tnx h GLY 43 Ca -0.07 -0.22 -0.08 0.00 0.00 0.00 0.00 47.33 46.96 1tnx h GLY 43 CO 0.11 0.12 0.02 -0.84 0.00 0.00 0.00 176.54 175.96 1tnx h THR 44 N 0.54 1.26 -0.09 4.70 2.02 -1.20 -2.07 112.91 118.07 1tnx h THR 44 Ca 0.33 -1.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.33 1tnx h THR 44 Cb 0.56 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.90 1tnx h THR 44 CO -0.11 0.37 -0.50 0.58 0.37 0.00 0.00 175.52 176.24 1tnx h VAL 45 N 0.75 1.35 -0.10 3.16 2.07 -0.56 -2.50 116.25 120.42 1tnx h VAL 45 Ca 0.15 -1.73 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1tnx h VAL 45 Cb 0.49 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1tnx h VAL 45 CO 0.02 0.51 -0.01 0.24 0.02 0.00 0.00 177.57 178.36 1tnx h MET 46 N 0.18 0.19 0.00 1.57 2.86 -0.97 -2.59 114.93 116.17 1tnx h MET 46 Ca 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1tnx h MET 46 Cb 0.94 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 1tnx h MET 46 CO 0.08 0.46 -0.03 0.00 1.06 0.00 0.00 176.91 178.47 1tnx h ARG 47 N -0.10 0.00 -0.50 1.72 3.08 -1.32 -2.10 114.38 115.16 1tnx h ARG 47 Ca 0.03 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1tnx h ARG 47 Cb 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.40 1tnx h ARG 47 CO 0.01 0.03 0.18 0.00 -1.07 0.00 0.00 179.97 179.11 1tnx h MET 48 N 0.00 0.73 0.00 0.04 -0.00 -1.03 -1.91 114.93 112.76 1tnx h MET 48 Ca -0.00 -0.11 -0.21 0.00 -0.00 0.00 0.00 59.70 59.38 1tnx h MET 48 Cb 0.24 -0.13 -0.03 0.00 -0.00 0.00 0.00 31.60 31.68 1tnx h MET 48 CO 0.00 0.62 -1.01 1.25 -0.00 0.00 0.00 176.91 177.78 1tnx h LEU 49 N 0.72 0.00 0.00 -0.10 5.85 -1.42 -3.47 115.31 116.88 1tnx h LEU 49 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1tnx h LEU 49 Cb 0.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.21 1tnx h LEU 49 CO -0.01 0.98 0.00 0.61 -0.34 0.00 0.00 178.44 179.68 1tnx n GLY 50 N 1.35 0.57 3.87 3.75 0.00 -0.72 -5.12 105.19 108.88 1tnx n GLY 50 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1tnx n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tnx s GLN 51 N 0.00 3.81 -0.69 1.61 0.74 -1.00 -4.94 119.66 119.19 1tnx s GLN 51 Ca 0.00 0.25 0.05 0.00 0.05 0.00 0.00 55.36 55.71 1tnx s GLN 51 Cb 0.00 -2.88 0.18 0.00 1.10 0.00 0.00 33.01 31.40 1tnx s GLN 51 CO 0.00 0.47 0.52 -1.71 -0.55 0.00 0.00 175.29 174.02 1tnx n ASN 52 N 0.55 2.99 -4.70 6.67 5.15 -1.26 -3.12 115.26 121.54 1tnx n ASN 52 Ca -0.05 -3.21 -0.29 0.00 -0.60 0.00 0.00 54.58 50.43 1tnx n ASN 52 Cb 0.52 -0.74 0.13 0.00 -0.53 0.00 0.00 39.78 39.15 1tnx n ASN 52 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1tnx s PRO 53 N -1.53 1.34 0.17 1.20 0.04 -1.26 -5.06 135.00 129.90 1tnx s PRO 53 Ca 0.27 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.40 1tnx s PRO 53 Cb -0.02 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 1tnx s PRO 53 CO -0.16 -2.02 0.34 0.95 0.04 0.00 0.00 177.00 176.15 1tnx s THR 54 N -3.49 5.26 0.02 1.26 -4.23 -1.26 -5.01 115.64 108.18 1tnx s THR 54 Ca 0.65 -0.47 -0.23 0.00 -1.18 0.00 0.00 61.69 60.46 1tnx s THR 54 Cb -0.11 -3.73 -0.17 0.00 1.34 0.00 0.00 72.50 69.83 1tnx s THR 54 CO 0.51 -0.12 1.33 0.11 -0.54 0.00 0.00 174.62 175.91 1tnx h LYS 55 N 2.13 0.19 0.00 3.99 1.57 -1.97 -1.64 116.57 120.84 1tnx h LYS 55 Ca -0.48 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.14 1tnx h LYS 55 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1tnx h LYS 55 CO 0.69 0.60 -0.33 1.05 -0.57 0.00 0.00 179.45 180.89 1tnx h GLU 56 N -0.21 0.00 -0.22 3.15 4.11 -1.99 -0.98 114.58 118.44 1tnx h GLU 56 Ca 0.02 0.00 -0.11 0.00 0.07 0.00 0.00 59.36 59.34 1tnx h GLU 56 Cb 0.56 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.81 1tnx h GLU 56 CO 0.02 0.33 -0.29 1.49 0.07 0.00 0.00 179.01 180.63 1tnx h GLU 57 N 0.00 0.58 -0.09 1.06 4.81 -1.94 -2.81 114.58 116.19 1tnx h GLU 57 Ca -0.00 -0.33 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 1tnx h GLU 57 Cb 0.61 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1tnx h GLU 57 CO 0.04 0.94 -0.38 -0.07 -0.73 0.00 0.00 179.01 178.81 1tnx h LEU 58 N 0.27 0.20 -1.12 1.64 3.38 -1.01 -2.62 115.31 116.05 1tnx h LEU 58 Ca 0.03 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1tnx h LEU 58 Cb 0.87 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 1tnx h LEU 58 CO 0.07 0.56 0.20 -0.78 0.09 0.00 0.00 178.44 178.58 1tnx h ASP 59 N 0.17 0.75 0.18 -0.43 1.82 -1.05 -1.85 116.42 116.00 1tnx h ASP 59 Ca 0.02 -0.10 -0.14 0.00 -0.39 0.00 0.00 57.03 56.41 1tnx h ASP 59 Cb 0.75 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1tnx h ASP 59 CO 0.06 0.69 -0.52 0.00 -1.61 0.00 0.00 179.24 177.86 1tnx h ALA 60 N 1.42 0.86 -0.39 -0.78 0.00 -1.22 -2.20 119.26 116.95 1tnx h ALA 60 Ca 0.19 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1tnx h ALA 60 Cb 0.20 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1tnx h ALA 60 CO -0.01 0.67 0.26 0.82 0.00 0.00 0.00 179.25 180.99 1tnx h ILE 61 N 0.30 1.08 0.09 0.00 2.04 -1.05 -1.97 117.51 118.01 1tnx h ILE 61 Ca 0.01 -0.17 -0.27 0.00 1.00 0.00 0.00 64.86 65.43 1tnx h ILE 61 Cb 1.01 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 1tnx h ILE 61 CO 0.09 0.09 -1.31 0.40 0.00 0.00 0.00 178.15 177.42 1tnx h ILE 62 N 0.50 1.40 -0.96 -0.67 2.04 -1.21 -3.27 117.51 115.35 1tnx h ILE 62 Ca 0.15 -3.03 0.08 0.00 1.00 0.00 0.00 64.86 63.06 1tnx h ILE 62 Cb -0.02 2.84 -0.07 0.00 -0.74 0.00 0.00 36.82 38.83 1tnx h ILE 62 CO -0.03 0.86 0.60 -0.33 0.00 0.00 0.00 178.15 179.25 1tnx h GLU 63 N 0.05 1.01 -0.42 2.37 5.08 -0.74 0.11 114.58 122.04 1tnx h GLU 63 Ca -0.15 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 1tnx h GLU 63 Cb 1.95 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.95 1tnx h GLU 63 CO 0.17 0.67 -0.11 1.49 -1.00 0.00 0.00 179.01 180.23 1tnx h GLU 64 N 1.04 0.75 -0.10 2.33 4.81 -1.55 -2.79 114.58 119.08 1tnx h GLU 64 Ca 0.44 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 59.29 1tnx h GLU 64 Cb 0.28 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1tnx h GLU 64 CO -0.21 0.83 -0.54 0.28 -0.73 0.00 0.00 179.01 178.65 1tnx h VAL 65 N 0.68 1.36 0.00 0.32 2.07 -1.19 -3.35 116.25 116.14 1tnx h VAL 65 Ca 0.12 -1.82 -0.58 0.00 0.82 0.00 0.00 66.70 65.24 1tnx h VAL 65 Cb 0.58 1.87 0.03 0.00 -1.52 0.00 0.00 31.29 32.26 1tnx h VAL 65 CO 0.04 0.54 2.47 0.47 0.02 0.00 0.00 177.57 181.11 1tnx n ASP 66 N -3.93 3.38 -0.22 0.57 8.00 -0.13 -4.61 116.55 119.61 1tnx n ASP 66 Ca -0.02 -2.59 -0.07 0.00 0.71 0.00 0.00 54.79 52.82 1tnx n ASP 66 Cb 0.57 -1.15 0.03 0.00 -0.02 0.00 0.00 41.12 40.55 1tnx n ASP 66 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 1tnx h GLU 67 N 7.26 0.95 0.15 -1.24 4.81 -1.79 -2.95 114.58 121.76 1tnx h GLU 67 Ca 0.46 -0.18 -0.29 0.00 -0.13 0.00 0.00 59.36 59.21 1tnx h GLU 67 Cb 0.51 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 29.75 1tnx h GLU 67 CO 1.81 0.81 -1.35 -0.44 -0.73 0.00 0.00 179.01 179.11 1tnx h ASP 68 N 0.88 0.49 0.00 1.04 3.32 -1.95 -3.48 116.42 116.72 1tnx h ASP 68 Ca 0.21 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.70 1tnx h ASP 68 Cb 0.24 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1tnx h ASP 68 CO -0.01 1.44 0.00 0.61 -1.72 0.00 0.00 179.24 179.56 1tnx n GLY 69 N 1.60 0.72 0.09 2.75 0.00 -1.12 -5.08 105.19 104.16 1tnx n GLY 69 Ca -0.12 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 1tnx n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1tnx n SER 70 N 0.00 1.86 0.00 1.61 2.88 -1.26 -5.02 113.62 113.68 1tnx n SER 70 Ca 0.00 0.50 0.00 0.00 -1.33 0.00 0.00 58.87 58.04 1tnx n SER 70 Cb 0.00 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 62.58 1tnx n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1tnx n GLY 71 N 1.50 3.19 3.59 0.46 0.00 -1.26 -5.05 105.19 107.63 1tnx n GLY 71 Ca -0.21 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 1tnx n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tnx n THR 72 N 0.00 0.00 -3.68 2.61 -2.24 -1.26 -4.75 114.28 104.96 1tnx n THR 72 Ca 0.00 -1.95 -0.37 0.00 -2.27 0.00 0.00 64.05 59.47 1tnx n THR 72 Cb 0.00 -0.25 -0.07 0.00 -2.10 0.00 0.00 70.33 67.91 1tnx n THR 72 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1tnx s ILE 73 N -2.47 5.34 0.52 2.28 1.01 0.89 -4.87 121.20 123.89 1tnx s ILE 73 Ca 0.40 0.43 0.08 0.00 0.00 0.00 0.00 60.65 61.56 1tnx s ILE 73 Cb -0.03 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.94 1tnx s ILE 73 CO 0.25 0.52 0.55 -1.81 0.00 0.00 0.00 174.94 174.45 1tnx s ASP 74 N -0.40 4.95 -0.00 3.58 1.11 -1.26 0.74 116.67 125.40 1tnx s ASP 74 Ca 0.16 -0.95 -0.23 0.00 0.18 0.00 0.00 52.55 51.71 1tnx s ASP 74 Cb -0.13 0.10 -0.19 0.00 1.07 0.00 0.00 42.92 43.77 1tnx s ASP 74 CO 0.05 -1.07 1.25 0.15 1.18 0.00 0.00 175.17 176.72 1tnx h PHE 75 N 0.60 0.22 0.00 4.23 3.57 -1.97 -1.59 116.94 122.00 1tnx h PHE 75 Ca -0.35 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1tnx h PHE 75 Cb 1.29 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.98 1tnx h PHE 75 CO 0.65 0.69 -0.09 0.93 -2.23 0.00 0.00 178.31 178.26 1tnx h GLU 76 N -0.30 0.00 -0.15 1.11 5.08 -1.96 -0.87 114.58 117.49 1tnx h GLU 76 Ca 0.00 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1tnx h GLU 76 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1tnx h GLU 76 CO 0.02 0.09 -0.65 1.49 -1.00 0.00 0.00 179.01 178.97 1tnx h GLU 77 N 0.00 0.57 -0.26 2.33 4.57 -1.90 -0.82 114.58 119.07 1tnx h GLU 77 Ca -0.00 -0.41 -0.11 0.00 -1.18 0.00 0.00 59.36 57.66 1tnx h GLU 77 Cb 0.44 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 1tnx h GLU 77 CO 0.01 1.03 -0.32 0.35 -1.18 0.00 0.00 179.01 178.90 1tnx h PHE 78 N 0.41 0.61 0.00 0.92 3.57 -0.21 -0.97 116.94 121.28 1tnx h PHE 78 Ca -0.01 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 1tnx h PHE 78 Cb 1.22 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1tnx h PHE 78 CO 0.05 0.79 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.85 1tnx h LEU 79 N 0.46 -0.00 -1.77 0.59 3.38 -0.93 -2.22 115.31 114.81 1tnx h LEU 79 Ca 0.06 -0.55 -0.02 0.00 0.09 0.00 0.00 57.88 57.46 1tnx h LEU 79 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1tnx h LEU 79 CO 0.06 0.55 -0.08 1.62 0.09 0.00 0.00 178.44 180.68 1tnx h VAL 80 N -0.56 1.08 -0.51 1.22 3.04 -1.13 0.72 116.25 120.12 1tnx h VAL 80 Ca -0.00 -0.35 -0.10 0.00 -1.01 0.00 0.00 66.70 65.24 1tnx h VAL 80 Cb 0.55 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 30.96 1tnx h VAL 80 CO 0.00 0.10 -0.06 -0.03 -1.01 0.00 0.00 177.57 176.58 1tnx h MET 81 N 0.04 0.93 0.00 4.17 -1.53 -1.08 -1.15 114.93 116.31 1tnx h MET 81 Ca 0.01 -0.33 -0.11 0.00 -3.44 0.00 0.00 59.70 55.84 1tnx h MET 81 Cb 0.17 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.14 1tnx h MET 81 CO 0.01 0.98 -0.50 1.98 0.14 0.00 0.00 176.91 179.52 1tnx h MET 82 N 0.79 0.00 0.00 0.39 -1.53 -0.60 -2.67 114.93 111.31 1tnx h MET 82 Ca 0.14 0.00 -0.10 0.00 -3.44 0.00 0.00 59.70 56.30 1tnx h MET 82 Cb 0.60 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.64 1tnx h MET 82 CO 0.04 0.50 -0.46 0.28 0.14 0.00 0.00 176.91 177.41 1tnx h VAL 83 N 0.00 1.29 -0.67 -5.77 2.07 -0.28 -2.77 116.25 110.12 1tnx h VAL 83 Ca -0.01 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 65.91 1tnx h VAL 83 Cb 0.95 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1tnx h VAL 83 CO 0.07 0.45 0.00 -2.11 0.02 0.00 0.00 177.57 176.00 1tnx n ARG 84 N -3.92 2.66 -3.95 1.57 -4.01 -0.49 -5.08 116.66 103.44 1tnx n ARG 84 Ca -0.01 -2.45 -0.34 0.00 -1.04 0.00 0.00 57.85 54.01 1tnx n ARG 84 Cb 0.49 -1.56 -0.14 0.00 -3.04 0.00 0.00 32.46 28.21 1tnx n ARG 84 CO 0.00 0.00 0.00 -0.65 -3.04 0.00 0.00 177.63 173.94 1tnx s GLN 85 N -1.18 2.45 -0.03 2.89 -0.21 -1.05 -5.06 119.66 117.48 1tnx s GLN 85 Ca 0.45 -1.24 0.09 0.00 0.02 0.00 0.00 55.36 54.68 1tnx s GLN 85 Cb 0.24 -3.10 0.32 0.00 1.00 0.00 0.00 33.01 31.47 1tnx s GLN 85 CO 0.30 -0.58 1.19 0.39 -2.12 0.00 0.00 175.29 174.47 1tnx n GLU 95 N 4.59 2.06 0.09 2.91 1.02 -1.26 -5.04 120.64 125.01 1tnx n GLU 95 Ca -0.14 -1.26 0.03 0.00 -0.02 0.00 0.00 57.16 55.77 1tnx n GLU 95 Cb 0.44 -1.43 0.41 0.00 -0.02 0.00 0.00 31.44 30.84 1tnx n GLU 95 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1tnx h GLU 96 N 1.90 0.32 0.13 3.49 5.08 -1.98 -1.44 114.58 122.08 1tnx h GLU 96 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1tnx h GLU 96 Cb 0.65 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1tnx h GLU 96 CO 0.06 0.36 -0.06 1.49 -1.00 0.00 0.00 179.01 179.86 1tnx h GLU 97 N 0.32 -0.16 0.00 2.33 4.81 -2.00 -1.51 114.58 118.35 1tnx h GLU 97 Ca 0.07 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 1tnx h GLU 97 Cb 0.24 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1tnx h GLU 97 CO 0.01 -0.09 -0.46 -0.07 -0.73 0.00 0.00 179.01 177.66 1tnx h LEU 98 N -0.20 0.00 -1.11 1.64 4.07 -1.94 -2.77 115.31 115.01 1tnx h LEU 98 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 1tnx h LEU 98 Cb 0.15 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.87 1tnx h LEU 98 CO 0.03 0.46 0.18 0.00 -1.08 0.00 0.00 178.44 178.03 1tnx h ALA 99 N 1.54 1.29 -0.05 1.53 0.00 -0.73 0.28 119.26 123.11 1tnx h ALA 99 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1tnx h ALA 99 Cb 0.82 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tnx h ALA 99 CO 0.06 0.51 -0.00 -0.91 0.00 0.00 0.00 179.25 178.91 1tnx h ASN 100 N 0.79 0.09 -0.45 0.00 2.35 -1.01 -1.63 115.58 115.73 1tnx h ASN 100 Ca 0.18 -0.33 -0.05 0.00 -0.55 0.00 0.00 56.30 55.55 1tnx h ASN 100 Cb 0.22 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1tnx h ASN 100 CO -0.01 0.40 0.11 0.00 -1.65 0.00 0.00 177.43 176.28 1tnx h PHE 102 N 0.76 0.30 -0.27 0.00 3.57 -0.24 -2.02 116.94 119.04 1tnx h PHE 102 Ca 0.17 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.58 1tnx h PHE 102 Cb 0.30 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1tnx h PHE 102 CO 0.02 0.16 -0.26 -0.09 -2.23 0.00 0.00 178.31 175.91 1tnx h ARG 103 N 0.34 0.54 -0.10 1.11 2.43 -0.87 -2.66 114.38 115.17 1tnx h ARG 103 Ca 0.14 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1tnx h ARG 103 Cb 0.06 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1tnx h ARG 103 CO -0.10 0.75 0.03 0.82 -1.51 0.00 0.00 179.97 179.96 1tnx h ILE 104 N 0.47 1.05 -0.02 1.20 2.04 -0.56 -2.28 117.51 119.41 1tnx h ILE 104 Ca 0.07 -0.16 -0.24 0.00 1.00 0.00 0.00 64.86 65.53 1tnx h ILE 104 Cb 0.70 0.95 0.01 0.00 -0.74 0.00 0.00 36.82 37.73 1tnx h ILE 104 CO 0.05 0.06 -0.94 -0.26 0.00 0.00 0.00 178.15 177.06 1tnx h PHE 105 N 0.13 0.81 -2.40 1.37 0.04 -1.07 -3.38 116.94 112.44 1tnx h PHE 105 Ca 0.03 -0.43 -0.67 0.00 2.80 0.00 0.00 57.97 59.70 1tnx h PHE 105 Cb 0.05 -0.10 -0.17 0.00 2.20 0.00 0.00 35.95 37.93 1tnx h PHE 105 CO 0.00 1.25 0.79 0.16 -0.60 0.00 0.00 178.31 179.91 1tnx s ASP 106 N -7.15 6.53 0.17 2.17 3.84 -0.86 -4.73 116.67 116.64 1tnx s ASP 106 Ca -0.08 -1.80 0.21 0.00 -0.00 0.00 0.00 52.55 50.88 1tnx s ASP 106 Cb 0.08 -2.41 0.87 0.00 -1.38 0.00 0.00 42.92 40.08 1tnx s ASP 106 CO 0.89 -1.16 1.64 0.29 -0.00 0.00 0.00 175.17 176.83 1tnx n LYS 107 N 6.87 0.13 0.12 2.11 5.02 -1.26 -2.25 118.16 128.90 1tnx n LYS 107 Ca 0.18 0.36 0.12 0.00 -2.02 0.00 0.00 58.31 56.95 1tnx n LYS 107 Cb 0.48 -1.75 0.09 0.00 -0.02 0.00 0.00 35.03 33.83 1tnx n LYS 107 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 1tnx h ASN 108 N 0.00 0.00 -5.21 4.39 -0.73 -1.91 -3.48 115.58 108.63 1tnx h ASN 108 Ca 0.00 -0.05 -0.27 0.00 1.87 0.00 0.00 56.30 57.86 1tnx h ASN 108 Cb 0.34 0.00 0.16 0.00 0.27 0.00 0.00 38.32 39.09 1tnx h ASN 108 CO 0.00 0.02 -0.71 0.00 -0.37 0.00 0.00 177.43 176.37 1tnx n ALA 109 N -2.07 -1.97 -0.06 1.57 0.00 -0.96 -4.94 120.51 112.07 1tnx n ALA 109 Ca 0.02 0.02 -0.05 0.00 0.00 0.00 0.00 53.44 53.42 1tnx n ALA 109 Cb 0.52 -3.37 -0.11 0.00 0.00 0.00 0.00 19.45 16.49 1tnx n ALA 109 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1tnx n ASP 110 N -2.95 1.71 0.00 0.00 9.92 -1.26 -5.01 116.55 118.96 1tnx n ASP 110 Ca -0.18 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.08 1tnx n ASP 110 Cb 0.63 0.92 0.00 0.00 -0.64 0.00 0.00 41.12 42.03 1tnx n ASP 110 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1tnx n GLY 111 N 2.12 1.26 3.21 0.44 0.00 -1.26 -5.11 105.19 105.86 1tnx n GLY 111 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 1tnx n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1tnx s PHE 112 N -0.29 1.15 -0.08 1.61 0.08 -1.26 -4.58 117.98 114.61 1tnx s PHE 112 Ca 0.00 -0.74 -0.18 0.00 0.12 0.00 0.00 56.93 56.13 1tnx s PHE 112 Cb 0.00 -0.61 -0.05 0.00 -0.57 0.00 0.00 43.02 41.80 1tnx s PHE 112 CO 0.00 0.02 0.48 0.42 -0.10 0.00 0.00 175.22 176.04 1tnx s ILE 113 N -3.03 5.11 0.29 0.64 1.09 0.37 -4.78 121.20 120.89 1tnx s ILE 113 Ca 0.12 0.96 0.01 0.00 -1.10 0.00 0.00 60.65 60.64 1tnx s ILE 113 Cb 0.01 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 1tnx s ILE 113 CO -0.00 0.40 0.47 -1.81 -0.10 0.00 0.00 174.94 173.89 1tnx s ASP 114 N 0.12 6.33 0.25 3.58 1.01 -1.26 -0.37 116.67 126.33 1tnx s ASP 114 Ca 0.26 0.37 -0.03 0.00 0.71 0.00 0.00 52.55 53.86 1tnx s ASP 114 Cb -0.16 -1.99 0.29 0.00 1.01 0.00 0.00 42.92 42.07 1tnx s ASP 114 CO 0.12 -0.18 1.74 -0.29 0.21 0.00 0.00 175.17 176.77 1tnx h ILE 115 N 1.05 1.25 -0.50 0.77 2.10 -1.97 -2.19 117.51 118.01 1tnx h ILE 115 Ca -0.50 -1.02 -0.06 0.00 1.08 0.00 0.00 64.86 64.36 1tnx h ILE 115 Cb 1.21 0.85 -0.02 0.00 -1.09 0.00 0.00 36.82 37.77 1tnx h ILE 115 CO 0.63 0.36 0.06 1.05 -1.08 0.00 0.00 178.15 179.17 1tnx h GLU 116 N 0.79 0.80 -0.41 2.19 4.11 -1.94 -1.15 114.58 118.97 1tnx h GLU 116 Ca 0.15 -0.19 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1tnx h GLU 116 Cb 0.46 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1tnx h GLU 116 CO 0.02 0.77 0.04 0.93 0.07 0.00 0.00 179.01 180.84 1tnx h GLU 117 N 0.76 0.69 -0.37 1.06 4.39 -1.80 -3.12 114.58 116.20 1tnx h GLU 117 Ca 0.16 -0.20 -0.15 0.00 0.34 0.00 0.00 59.36 59.51 1tnx h GLU 117 Cb 0.38 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1tnx h GLU 117 CO 0.01 0.75 -0.36 1.25 -1.16 0.00 0.00 179.01 179.50 1tnx h LEU 118 N 0.54 0.92 -0.59 1.33 5.85 -1.09 -3.16 115.31 119.10 1tnx h LEU 118 Ca 0.12 -0.40 0.09 0.00 0.84 0.00 0.00 57.88 58.52 1tnx h LEU 118 Cb 0.41 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.08 1tnx h LEU 118 CO 0.01 1.18 -0.45 1.23 -0.34 0.00 0.00 178.44 180.07 1tnx h GLY 119 N 0.86 -0.50 1.44 3.75 0.00 -1.15 -0.38 103.07 107.09 1tnx h GLY 119 Ca 0.07 0.58 -0.08 0.00 0.00 0.00 0.00 47.33 47.90 1tnx h GLY 119 CO 0.09 -0.15 -0.10 0.83 0.00 0.00 0.00 176.54 177.21 1tnx h GLU 120 N -0.22 0.67 -0.84 4.80 5.08 -1.63 -2.03 114.58 120.40 1tnx h GLU 120 Ca 0.17 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1tnx h GLU 120 Cb 0.56 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1tnx h GLU 120 CO -0.70 0.75 0.53 0.82 -1.00 0.00 0.00 179.01 179.42 1tnx h ILE 121 N 0.61 1.23 -0.21 3.13 2.04 -1.08 0.62 117.51 123.85 1tnx h ILE 121 Ca 0.11 -0.45 -0.09 0.00 1.00 0.00 0.00 64.86 65.43 1tnx h ILE 121 Cb 0.53 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1tnx h ILE 121 CO 0.03 0.23 -0.21 -0.07 0.00 0.00 0.00 178.15 178.13 1tnx h LEU 122 N 1.15 0.55 -0.96 1.44 3.38 -0.95 -3.09 115.31 116.84 1tnx h LEU 122 Ca 0.31 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 1tnx h LEU 122 Cb -0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1tnx h LEU 122 CO -0.06 0.91 -0.51 0.03 0.09 0.00 0.00 178.44 178.90 1tnx h ARG 123 N 0.20 0.00 -0.17 1.13 3.08 -1.03 -3.02 114.38 114.57 1tnx h ARG 123 Ca 0.03 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.13 1tnx h ARG 123 Cb 0.75 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.80 1tnx h ARG 123 CO 0.05 0.51 0.18 0.00 -1.07 0.00 0.00 179.97 179.64 1tnx h ALA 124 N 1.49 1.83 0.00 0.04 0.00 0.34 -1.27 119.26 121.69 1tnx h ALA 124 Ca -0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1tnx h ALA 124 Cb 0.92 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1tnx h ALA 124 CO 0.07 -0.27 -0.24 0.00 0.00 0.00 0.00 179.25 178.81 1tnx h THR 125 N 0.00 1.00 0.00 0.00 1.03 -1.60 -3.46 112.91 109.88 1tnx h THR 125 Ca 0.08 -0.89 0.00 0.00 -0.01 0.00 0.00 66.41 65.59 1tnx h THR 125 Cb 0.44 1.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.02 1tnx h THR 125 CO -0.00 0.24 0.00 0.61 -0.01 0.00 0.00 175.52 176.36 1tnx n GLY 126 N -0.64 0.50 3.67 2.99 0.00 -0.48 -5.03 105.19 106.21 1tnx n GLY 126 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 1tnx n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1tnx s GLU 127 N -0.84 0.82 -1.14 1.61 2.02 -1.26 -4.92 118.70 114.99 1tnx s GLU 127 Ca 0.00 0.86 -0.08 0.00 0.02 0.00 0.00 54.97 55.78 1tnx s GLU 127 Cb 0.00 -1.75 0.26 0.00 0.10 0.00 0.00 34.13 32.74 1tnx s GLU 127 CO 0.00 -2.55 1.42 0.72 0.02 0.00 0.00 175.26 174.86 1tnx n HIS 128 N -4.10 3.68 -3.15 1.61 8.25 -1.26 -4.99 115.22 115.25 1tnx n HIS 128 Ca 0.07 -3.14 -0.27 0.00 -0.26 0.00 0.00 57.72 54.12 1tnx n HIS 128 Cb 0.55 -1.62 -0.02 0.00 1.12 0.00 0.00 29.99 30.03 1tnx n HIS 128 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1tnx s VAL 129 N -1.32 5.01 0.01 1.59 0.11 -1.26 -5.09 120.40 119.45 1tnx s VAL 129 Ca 0.34 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.34 1tnx s VAL 129 Cb -0.00 -3.81 -0.04 0.00 -1.53 0.00 0.00 36.38 31.00 1tnx s VAL 129 CO 0.02 -0.55 0.03 0.27 -3.33 0.00 0.00 175.10 171.54 1tnx s ILE 130 N -2.35 4.36 0.37 7.04 -4.36 -1.26 -5.00 121.20 120.00 1tnx s ILE 130 Ca 0.44 -0.58 0.14 0.00 -0.26 0.00 0.00 60.65 60.39 1tnx s ILE 130 Cb -0.10 -2.98 0.11 0.00 1.25 0.00 0.00 42.46 40.74 1tnx s ILE 130 CO 0.36 0.33 1.84 1.05 0.24 0.00 0.00 174.94 178.76 1tnx h GLU 131 N 4.13 0.00 -0.20 0.37 4.11 -1.98 -1.43 114.58 119.57 1tnx h GLU 131 Ca -0.49 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 1tnx h GLU 131 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.41 1tnx h GLU 131 CO 0.60 0.35 -0.10 0.93 0.07 0.00 0.00 179.01 180.86 1tnx h GLU 132 N 0.00 0.32 0.24 1.06 5.08 -1.98 0.21 114.58 119.51 1tnx h GLU 132 Ca -0.00 -0.07 -0.33 0.00 -1.00 0.00 0.00 59.36 57.95 1tnx h GLU 132 Cb 0.63 -0.04 0.04 0.00 0.50 0.00 0.00 28.75 29.88 1tnx h GLU 132 CO 0.05 0.43 -1.48 0.22 -1.00 0.00 0.00 179.01 177.23 1tnx h ASP 133 N 0.31 0.81 -0.12 1.42 -0.00 -1.78 -2.72 116.42 114.34 1tnx h ASP 133 Ca 0.06 -0.92 -0.02 0.00 -0.00 0.00 0.00 57.03 56.15 1tnx h ASP 133 Cb 0.37 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.43 1tnx h ASP 133 CO 0.02 1.71 -0.01 0.40 -0.00 0.00 0.00 179.24 181.36 1tnx h ILE 134 N 0.11 1.26 -0.07 2.25 2.04 -0.97 -1.33 117.51 120.80 1tnx h ILE 134 Ca -0.26 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 64.75 1tnx h ILE 134 Cb 2.14 1.60 -0.00 0.00 -0.74 0.00 0.00 36.82 39.81 1tnx h ILE 134 CO 0.26 0.24 0.04 -0.08 0.00 0.00 0.00 178.15 178.61 1tnx h GLU 135 N -0.07 0.09 -0.41 2.37 4.81 -0.71 -2.58 114.58 118.08 1tnx h GLU 135 Ca 0.03 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1tnx h GLU 135 Cb 0.38 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 1tnx h GLU 135 CO 0.01 0.14 0.19 0.22 -0.73 0.00 0.00 179.01 178.83 1tnx h ASP 136 N 0.02 0.51 -0.65 1.04 3.58 -1.49 -2.18 116.42 117.25 1tnx h ASP 136 Ca 0.02 -0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1tnx h ASP 136 Cb 0.07 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 40.96 1tnx h ASP 136 CO -0.00 0.44 0.40 0.25 -2.88 0.00 0.00 179.24 177.44 1tnx h LEU 137 N 0.57 0.78 -0.42 2.28 5.85 -0.85 -1.67 115.31 121.85 1tnx h LEU 137 Ca 0.14 -0.06 -0.13 0.00 0.84 0.00 0.00 57.88 58.68 1tnx h LEU 137 Cb 0.07 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1tnx h LEU 137 CO -0.02 0.61 -0.23 -0.03 -0.34 0.00 0.00 178.44 178.43 1tnx h MET 138 N 0.89 0.89 0.00 1.25 4.05 -1.12 -1.59 114.93 119.30 1tnx h MET 138 Ca 0.23 -0.40 -0.03 0.00 -0.28 0.00 0.00 59.70 59.22 1tnx h MET 138 Cb -0.03 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.74 1tnx h MET 138 CO -0.04 1.05 -0.15 1.57 0.23 0.00 0.00 176.91 179.57 1tnx h LYS 139 N 0.72 0.00 0.00 0.39 2.10 -1.07 -1.19 116.57 117.51 1tnx h LYS 139 Ca 0.09 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.50 1tnx h LYS 139 Cb 0.80 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.09 1tnx h LYS 139 CO 0.07 0.15 -1.46 -0.44 -2.00 0.00 0.00 179.45 175.77 1tnx h ASP 140 N 0.00 0.00 1.69 7.07 5.19 -1.13 -3.33 116.42 125.91 1tnx h ASP 140 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 1tnx h ASP 140 Cb 0.35 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.85 1tnx h ASP 140 CO 0.02 0.86 -0.32 0.28 -3.12 0.00 0.00 179.24 176.96 1tnx h SER 141 N 0.00 0.00 -2.60 6.45 0.02 -0.85 -3.42 113.55 113.16 1tnx h SER 141 Ca -0.20 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.21 1tnx h SER 141 Cb 1.83 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 64.29 1tnx h SER 141 CO 0.08 0.11 1.05 -1.81 -1.14 0.00 0.00 176.83 175.12 1tnx s ASP 142 N -6.09 6.20 0.15 3.07 1.01 -0.49 -4.84 116.67 115.68 1tnx s ASP 142 Ca 0.05 -0.23 -0.09 0.00 0.71 0.00 0.00 52.55 52.99 1tnx s ASP 142 Cb 0.06 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1tnx s ASP 142 CO 0.71 -1.76 1.43 0.11 0.21 0.00 0.00 175.17 175.87 1tnx h LYS 143 N 10.14 0.75 0.00 8.23 6.56 -1.89 -3.24 116.57 137.12 1tnx h LYS 143 Ca -0.27 -0.49 0.00 0.00 -1.06 0.00 0.00 60.65 58.83 1tnx h LYS 143 Cb 1.06 0.07 0.00 0.00 -0.57 0.00 0.00 32.23 32.78 1tnx h LYS 143 CO 1.25 1.12 -1.39 0.09 -2.06 0.00 0.00 179.45 178.45 1tnx n ASN 144 N -3.98 0.49 -2.80 0.86 4.13 -1.26 -5.02 115.26 107.69 1tnx n ASN 144 Ca -0.04 -0.33 -0.04 0.00 1.68 0.00 0.00 54.58 55.84 1tnx n ASN 144 Cb 0.64 1.30 0.01 0.00 -1.54 0.00 0.00 39.78 40.19 1tnx n ASN 144 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1tnx n ASN 145 N -1.98 -7.37 -0.05 6.41 2.85 -1.22 -4.95 115.26 108.94 1tnx n ASN 145 Ca 0.00 0.28 -0.05 0.00 -0.11 0.00 0.00 54.58 54.70 1tnx n ASN 145 Cb 0.46 -4.98 -0.09 0.00 1.24 0.00 0.00 39.78 36.42 1tnx n ASN 145 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 1tnx n ASP 146 N -0.85 2.23 0.00 1.20 4.64 -1.26 -5.02 116.55 117.50 1tnx n ASP 146 Ca 0.07 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.48 1tnx n ASP 146 Cb 0.45 0.81 0.00 0.00 -1.04 0.00 0.00 41.12 41.34 1tnx n ASP 146 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1tnx n GLY 147 N 2.29 3.07 3.80 0.27 0.00 -1.26 -5.07 105.19 108.29 1tnx n GLY 147 Ca -0.18 -1.14 -0.23 0.00 0.00 0.00 0.00 46.02 44.47 1tnx n GLY 147 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1tnx s ARG 148 N 0.00 2.34 -0.18 1.61 3.00 -1.26 -4.24 118.95 120.21 1tnx s ARG 148 Ca 0.00 -1.75 -0.05 0.00 0.00 0.00 0.00 55.73 53.93 1tnx s ARG 148 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 34.95 32.79 1tnx s ARG 148 CO 0.00 -0.18 -0.00 0.42 0.00 0.00 0.00 175.30 175.54 1tnx s ILE 149 N -2.57 4.07 0.46 1.52 1.01 0.50 -4.91 121.20 121.28 1tnx s ILE 149 Ca 0.43 -0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.87 1tnx s ILE 149 Cb 0.01 -2.82 0.00 0.00 0.01 0.00 0.00 42.46 39.66 1tnx s ILE 149 CO 0.24 0.45 0.45 1.51 0.00 0.00 0.00 174.94 177.59 1tnx s ASP 150 N 0.70 5.04 0.50 3.58 -4.77 -1.26 -0.48 116.67 119.97 1tnx s ASP 150 Ca -0.00 -0.82 0.20 0.00 -3.30 0.00 0.00 52.55 48.63 1tnx s ASP 150 Cb -0.14 -0.30 1.27 0.00 -1.09 0.00 0.00 42.92 42.65 1tnx s ASP 150 CO 0.02 -0.82 2.07 0.15 0.70 0.00 0.00 175.17 177.29 1tnx h PHE 151 N 0.84 0.00 0.85 2.11 3.57 -1.98 -0.14 116.94 122.19 1tnx h PHE 151 Ca -0.39 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.07 1tnx h PHE 151 Cb 1.28 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.02 1tnx h PHE 151 CO 0.58 0.12 -0.41 -0.44 -2.23 0.00 0.00 178.31 175.92 1tnx h ASP 152 N 0.00 -0.96 0.45 0.41 3.32 -1.98 -2.74 116.42 114.92 1tnx h ASP 152 Ca -0.00 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.01 1tnx h ASP 152 Cb 0.23 0.25 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1tnx h ASP 152 CO 0.01 -0.64 -0.29 -0.08 -1.72 0.00 0.00 179.24 176.52 1tnx h GLU 153 N -1.22 0.00 -0.52 3.56 4.81 -1.92 -2.75 114.58 116.54 1tnx h GLU 153 Ca -0.12 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.20 1tnx h GLU 153 Cb 0.88 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.23 1tnx h GLU 153 CO 0.19 0.29 0.35 0.35 -0.73 0.00 0.00 179.01 179.46 1tnx h PHE 154 N 0.00 0.35 0.68 0.92 3.57 -0.74 0.12 116.94 121.84 1tnx h PHE 154 Ca -0.00 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 1tnx h PHE 154 Cb 0.60 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1tnx h PHE 154 CO 0.00 0.17 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.76 1tnx h LEU 155 N 0.33 -1.08 -1.23 0.59 3.38 -1.20 -1.55 115.31 114.56 1tnx h LEU 155 Ca 0.24 0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.22 1tnx h LEU 155 Cb 0.50 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1tnx h LEU 155 CO -0.06 -0.66 -0.25 0.50 0.09 0.00 0.00 178.44 178.06 1tnx h LYS 156 N -1.05 0.00 -0.62 1.13 3.64 -1.63 -3.05 116.57 114.99 1tnx h LYS 156 Ca -0.09 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 1tnx h LYS 156 Cb 0.85 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1tnx h LYS 156 CO 0.08 0.25 0.32 1.98 -2.27 0.00 0.00 179.45 179.81 1tnx h MET 157 N 0.00 0.89 -0.02 1.90 4.05 -0.21 -3.52 114.93 118.01 1tnx h MET 157 Ca -0.00 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.30 1tnx h MET 157 Cb 0.70 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 31.34 1tnx h MET 157 CO 0.03 0.70 0.00 -0.12 0.23 0.00 0.00 176.91 177.75