#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnp s SER 2 N 0.00 0.92 -1.58 0.00 1.04 -1.26 -4.83 113.70 107.99 1tnp s SER 2 Ca 0.00 -0.38 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1tnp s SER 2 Cb 0.00 -0.02 0.11 0.00 0.10 0.00 0.00 66.02 66.20 1tnp s SER 2 CO 0.00 -0.07 0.92 0.80 0.98 0.00 0.00 173.24 175.86 1tnp n MET 3 N 2.04 -4.80 -0.22 4.02 0.00 -1.26 -4.85 117.12 112.04 1tnp n MET 3 Ca -0.19 0.53 0.03 0.00 -0.00 0.00 0.00 57.70 58.07 1tnp n MET 3 Cb 0.56 -5.36 0.11 0.00 0.00 0.00 0.00 33.22 28.53 1tnp n MET 3 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1tnp n THR 4 N -4.59 0.67 0.00 1.12 -1.04 -1.26 -3.93 114.28 105.25 1tnp n THR 4 Ca 0.04 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 1tnp n THR 4 Cb 0.52 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.77 1tnp n THR 4 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1tnp n ASP 5 N 0.18 3.08 -0.20 8.00 9.92 -1.26 -4.76 116.55 131.50 1tnp n ASP 5 Ca 0.08 0.00 0.31 0.00 -0.53 0.00 0.00 54.79 54.65 1tnp n ASP 5 Cb 0.43 0.00 0.72 0.00 -0.64 0.00 0.00 41.12 41.63 1tnp n ASP 5 CO 0.00 0.00 0.00 1.56 0.13 0.00 0.00 177.20 178.89 1tnp h GLN 6 N 0.00 0.00 -0.18 -1.24 4.20 -1.97 -1.72 115.11 114.19 1tnp h GLN 6 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1tnp h GLN 6 Cb 0.84 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 1tnp h GLN 6 CO 0.00 0.00 -0.30 -0.56 -0.67 0.00 0.00 178.83 177.30 1tnp h GLN 7 N 0.00 -0.23 -0.22 1.46 3.07 -1.86 -2.46 115.11 114.87 1tnp h GLN 7 Ca 0.46 0.02 -0.11 0.00 0.09 0.00 0.00 58.65 59.11 1tnp h GLN 7 Cb 1.99 0.05 -0.01 0.00 0.08 0.00 0.00 27.48 29.59 1tnp h GLN 7 CO -0.00 -0.15 -0.32 0.00 0.09 0.00 0.00 178.83 178.45 1tnp h ALA 8 N -0.68 1.04 -0.86 0.06 0.00 -1.67 -3.08 119.26 114.07 1tnp h ALA 8 Ca 0.03 -0.38 0.15 0.00 0.00 0.00 0.00 54.91 54.72 1tnp h ALA 8 Cb 0.33 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1tnp h ALA 8 CO -0.30 0.59 0.56 1.49 0.00 0.00 0.00 179.25 181.59 1tnp h GLU 9 N 0.40 0.56 -0.34 0.00 4.81 -1.32 -1.75 114.58 116.94 1tnp h GLU 9 Ca 0.05 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1tnp h GLU 9 Cb 0.75 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1tnp h GLU 9 CO 0.06 0.37 0.01 0.00 -0.73 0.00 0.00 179.01 178.72 1tnp h ALA 10 N 1.61 0.46 -0.70 2.92 0.00 -1.38 -3.07 119.26 119.10 1tnp h ALA 10 Ca 0.43 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1tnp h ALA 10 Cb 0.82 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1tnp h ALA 10 CO -0.18 0.21 0.40 -0.09 0.00 0.00 0.00 179.25 179.59 1tnp h ARG 11 N 0.40 0.95 -0.06 0.00 2.43 -1.46 -2.95 114.38 113.69 1tnp h ARG 11 Ca 0.10 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1tnp h ARG 11 Cb 0.44 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1tnp h ARG 11 CO 0.02 0.68 0.03 0.00 -1.51 0.00 0.00 179.97 179.19 1tnp h ALA 12 N 1.48 0.08 -0.88 2.80 0.00 -1.44 -2.67 119.26 118.63 1tnp h ALA 12 Ca 0.25 -0.04 0.19 0.00 0.00 0.00 0.00 54.91 55.31 1tnp h ALA 12 Cb -0.01 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.65 1tnp h ALA 12 CO -0.04 -0.40 0.42 0.35 0.00 0.00 0.00 179.25 179.57 1tnp h PHE 13 N 0.02 0.71 -4.16 0.00 3.57 -1.54 -3.42 116.94 112.13 1tnp h PHE 13 Ca 0.02 0.04 -0.48 0.00 3.53 0.00 0.00 57.97 61.08 1tnp h PHE 13 Cb 0.06 -0.18 0.07 0.00 2.79 0.00 0.00 35.95 38.69 1tnp h PHE 13 CO -0.05 0.06 0.32 -0.51 -2.23 0.00 0.00 178.31 175.89 1tnp s LEU 14 N -10.43 2.94 0.00 0.59 1.43 -1.01 -5.10 118.68 107.10 1tnp s LEU 14 Ca -0.12 0.88 -0.00 0.00 -1.03 0.00 0.00 54.13 53.86 1tnp s LEU 14 Cb 0.24 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.83 1tnp s LEU 14 CO 0.78 -1.36 0.02 -1.20 0.23 0.00 0.00 176.35 174.82 1tnp n SER 15 N -2.91 0.01 0.03 2.29 7.64 -1.26 -4.96 113.62 114.46 1tnp n SER 15 Ca 0.06 -1.01 -0.22 0.00 1.01 0.00 0.00 58.87 58.71 1tnp n SER 15 Cb 0.58 -0.01 -0.14 0.00 -1.01 0.00 0.00 64.21 63.63 1tnp n SER 15 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1tnp h GLU 16 N 0.00 0.28 0.04 1.43 4.22 -1.97 -3.35 114.58 115.24 1tnp h GLU 16 Ca -0.01 -0.49 -0.24 0.00 0.08 0.00 0.00 59.36 58.71 1tnp h GLU 16 Cb 0.02 0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1tnp h GLU 16 CO 0.00 1.23 -1.02 1.05 -2.18 0.00 0.00 179.01 178.09 1tnp h GLU 17 N -0.22 0.34 -0.04 1.92 4.11 -2.02 -3.20 114.58 115.46 1tnp h GLU 17 Ca -0.30 -0.42 -0.01 0.00 0.07 0.00 0.00 59.36 58.70 1tnp h GLU 17 Cb 1.83 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 31.20 1tnp h GLU 17 CO 0.09 1.12 -0.04 1.98 0.07 0.00 0.00 179.01 182.23 1tnp h MET 18 N 0.16 0.06 -0.33 1.06 4.05 -1.97 -1.07 114.93 116.90 1tnp h MET 18 Ca -0.09 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1tnp h MET 18 Cb 1.69 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.46 1tnp h MET 18 CO 0.17 0.11 0.12 0.82 0.23 0.00 0.00 176.91 178.36 1tnp h ILE 19 N 0.06 1.20 -0.08 1.77 1.08 -1.68 -2.47 117.51 117.39 1tnp h ILE 19 Ca 0.02 -0.62 0.04 0.00 -0.39 0.00 0.00 64.86 63.91 1tnp h ILE 19 Cb 0.11 0.98 -0.06 0.00 -3.07 0.00 0.00 36.82 34.79 1tnp h ILE 19 CO 0.01 0.21 -0.29 0.00 -0.69 0.00 0.00 178.15 177.39 1tnp h ALA 20 N 0.96 -0.34 -0.01 1.87 0.00 -1.30 -2.07 119.26 118.36 1tnp h ALA 20 Ca 0.11 0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1tnp h ALA 20 Cb 0.22 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tnp h ALA 20 CO -0.01 -0.77 -0.48 0.93 0.00 0.00 0.00 179.25 178.93 1tnp h GLU 21 N -0.39 0.04 0.00 0.00 4.39 -1.57 -3.22 114.58 113.83 1tnp h GLU 21 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 1tnp h GLU 21 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1tnp h GLU 21 CO -0.30 0.51 0.00 0.34 -1.16 0.00 0.00 179.01 178.40 1tnp n PHE 22 N -3.97 0.00 -0.22 4.33 7.35 -0.80 -2.18 117.46 121.98 1tnp n PHE 22 Ca -0.02 0.00 0.31 0.00 -0.76 0.00 0.00 57.45 56.98 1tnp n PHE 22 Cb 0.50 -0.39 0.72 0.00 0.35 0.00 0.00 39.48 40.66 1tnp n PHE 22 CO 0.00 0.00 0.00 1.57 -0.76 0.00 0.00 176.76 177.57 1tnp h LYS 23 N 0.00 0.00 -0.44 -4.13 2.10 -1.55 -1.96 116.57 110.60 1tnp h LYS 23 Ca 0.00 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.71 1tnp h LYS 23 Cb 0.00 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.24 1tnp h LYS 23 CO 0.00 0.00 -0.49 0.00 -2.00 0.00 0.00 179.45 176.96 1tnp h ALA 24 N 1.38 -0.57 -0.30 0.07 0.00 -1.45 -2.12 119.26 116.27 1tnp h ALA 24 Ca 0.47 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.29 1tnp h ALA 24 Cb 2.01 1.01 -0.01 0.00 0.00 0.00 0.00 17.79 20.81 1tnp h ALA 24 CO -0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 179.25 177.96 1tnp h ALA 25 N 0.25 0.84 -0.78 0.00 0.00 -1.42 -2.85 119.26 115.30 1tnp h ALA 25 Ca 0.12 -0.42 0.14 0.00 0.00 0.00 0.00 54.91 54.75 1tnp h ALA 25 Cb 0.59 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 1tnp h ALA 25 CO -0.61 0.64 0.52 0.35 0.00 0.00 0.00 179.25 180.15 1tnp h PHE 26 N 0.56 0.59 0.00 0.00 3.04 -1.44 -1.24 116.94 118.45 1tnp h PHE 26 Ca 0.06 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.87 1tnp h PHE 26 Cb 0.85 -0.19 -0.02 0.00 2.56 0.00 0.00 35.95 39.15 1tnp h PHE 26 CO 0.04 0.23 -0.76 0.22 -2.02 0.00 0.00 178.31 176.02 1tnp h ASP 27 N 0.51 0.00 -0.98 0.41 3.58 -1.16 -2.78 116.42 116.01 1tnp h ASP 27 Ca 0.38 0.00 0.28 0.00 0.42 0.00 0.00 57.03 58.12 1tnp h ASP 27 Cb 0.77 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.67 1tnp h ASP 27 CO -0.14 0.76 0.51 -0.03 -2.88 0.00 0.00 179.24 177.46 1tnp h MET 28 N 0.00 0.36 0.03 0.28 4.05 -1.20 -1.55 114.93 116.89 1tnp h MET 28 Ca -0.01 -0.02 -0.36 0.00 -0.28 0.00 0.00 59.70 59.03 1tnp h MET 28 Cb 1.46 -0.08 -0.06 0.00 -0.80 0.00 0.00 31.60 32.12 1tnp h MET 28 CO 0.10 0.24 -2.23 1.19 0.23 0.00 0.00 176.91 176.44 1tnp n PHE 29 N -5.04 0.42 -2.12 1.39 3.72 -1.23 -4.75 117.46 109.86 1tnp n PHE 29 Ca 0.28 0.11 -0.30 0.00 -0.05 0.00 0.00 57.45 57.50 1tnp n PHE 29 Cb 0.86 -1.06 -0.05 0.00 -0.94 0.00 0.00 39.48 38.29 1tnp n PHE 29 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1tnp s ASP 30 N -6.25 5.34 0.04 4.37 -1.08 -0.58 -4.85 116.67 113.65 1tnp s ASP 30 Ca -0.20 -0.68 -0.31 0.00 -0.52 0.00 0.00 52.55 50.84 1tnp s ASP 30 Cb 0.07 -2.56 -0.18 0.00 -1.46 0.00 0.00 42.92 38.80 1tnp s ASP 30 CO 0.74 -2.54 1.38 0.00 0.52 0.00 0.00 175.17 175.27 1tnp h ALA 31 N 11.42 -0.96 -3.37 3.66 0.00 -1.86 -3.45 119.26 124.70 1tnp h ALA 31 Ca 0.07 -0.22 -0.20 0.00 0.00 0.00 0.00 54.91 54.56 1tnp h ALA 31 Cb 1.02 0.37 -0.25 0.00 0.00 0.00 0.00 17.79 18.93 1tnp h ALA 31 CO 1.24 -0.97 -0.63 0.34 0.00 0.00 0.00 179.25 179.23 1tnp s ASP 32 N -4.42 -0.01 0.00 0.00 2.15 -1.26 -4.93 116.67 108.21 1tnp s ASP 32 Ca -0.16 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.81 1tnp s ASP 32 Cb 0.02 0.14 0.00 0.00 -0.30 0.00 0.00 42.92 42.79 1tnp s ASP 32 CO 0.54 -0.11 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1tnp n GLY 33 N 2.62 3.47 4.11 2.66 0.00 -1.26 -4.90 105.19 111.89 1tnp n GLY 33 Ca -0.15 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 1tnp n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnp n GLY 34 N 0.00 -0.37 1.53 -0.02 0.00 -1.26 -4.81 105.19 100.25 1tnp n GLY 34 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1tnp n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1tnp n GLY 35 N -1.64 -0.13 3.44 -0.02 0.00 -1.26 -5.10 105.19 100.48 1tnp n GLY 35 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1tnp n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tnp s ASP 36 N -5.34 1.18 0.18 1.61 1.47 -1.26 -3.95 116.67 110.57 1tnp s ASP 36 Ca 0.00 -1.58 -0.10 0.00 1.18 0.00 0.00 52.55 52.04 1tnp s ASP 36 Cb 0.00 0.64 -0.01 0.00 -0.34 0.00 0.00 42.92 43.22 1tnp s ASP 36 CO 0.00 -1.25 0.33 0.27 0.68 0.00 0.00 175.17 175.20 1tnp s ILE 37 N -3.09 0.05 0.56 2.11 -5.25 -1.08 -4.91 121.20 109.60 1tnp s ILE 37 Ca 0.33 -1.35 -0.21 0.00 -0.99 0.00 0.00 60.65 58.44 1tnp s ILE 37 Cb 0.00 -1.89 -0.04 0.00 2.95 0.00 0.00 42.46 43.48 1tnp s ILE 37 CO 0.23 -0.22 1.34 -0.24 -1.79 0.00 0.00 174.94 174.26 1tnp n SER 38 N -0.26 2.54 0.09 4.36 2.88 -1.26 -3.33 113.62 118.64 1tnp n SER 38 Ca -0.06 0.95 -0.08 0.00 -1.33 0.00 0.00 58.87 58.35 1tnp n SER 38 Cb 0.63 -1.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.49 1tnp n SER 38 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1tnp h THR 39 N 1.26 1.55 -0.37 2.46 1.35 -1.96 -2.66 112.91 114.53 1tnp h THR 39 Ca -0.51 -2.81 -0.07 0.00 -0.55 0.00 0.00 66.41 62.48 1tnp h THR 39 Cb 1.31 2.57 -0.02 0.00 -1.73 0.00 0.00 68.15 70.28 1tnp h THR 39 CO 0.56 0.81 -0.06 0.07 -0.25 0.00 0.00 175.52 176.65 1tnp h LYS 40 N 0.06 0.62 0.04 4.72 2.10 -1.96 -3.07 116.57 119.09 1tnp h LYS 40 Ca -0.04 -0.17 -0.31 0.00 -2.00 0.00 0.00 60.65 58.13 1tnp h LYS 40 Cb 1.56 -0.07 -0.04 0.00 -0.90 0.00 0.00 32.23 32.79 1tnp h LYS 40 CO 0.13 0.68 -1.76 0.93 -2.00 0.00 0.00 179.45 177.44 1tnp h GLU 41 N 0.57 0.09 -0.99 0.07 5.08 -1.96 -3.37 114.58 114.07 1tnp h GLU 41 Ca 0.11 -0.16 0.33 0.00 -1.00 0.00 0.00 59.36 58.64 1tnp h GLU 41 Cb 0.46 0.06 -0.18 0.00 0.50 0.00 0.00 28.75 29.59 1tnp h GLU 41 CO 0.02 0.76 0.23 1.25 -1.00 0.00 0.00 179.01 180.27 1tnp h LEU 42 N 0.03 -0.16 0.04 1.33 6.46 -1.36 0.25 115.31 121.89 1tnp h LEU 42 Ca -0.31 0.27 0.01 0.00 -0.12 0.00 0.00 57.88 57.72 1tnp h LEU 42 Cb 2.01 0.40 -0.02 0.00 -0.73 0.00 0.00 40.66 42.32 1tnp h LEU 42 CO 0.09 -0.38 -0.25 1.23 -0.62 0.00 0.00 178.44 178.51 1tnp h GLY 43 N 0.01 -1.22 -1.61 3.75 0.00 -1.73 -2.26 103.07 100.02 1tnp h GLY 43 Ca 0.70 0.60 0.52 0.00 0.00 0.00 0.00 47.33 49.14 1tnp h GLY 43 CO -0.86 -0.38 1.16 -0.84 0.00 0.00 0.00 176.54 175.62 1tnp h THR 44 N -0.34 0.03 0.72 4.70 2.02 -0.75 -0.38 112.91 118.92 1tnp h THR 44 Ca -0.00 -0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 1tnp h THR 44 Cb 0.35 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1tnp h THR 44 CO -0.14 0.00 -0.35 0.58 0.37 0.00 0.00 175.52 175.98 1tnp h VAL 45 N 0.01 0.26 -0.68 3.16 2.07 -1.12 -2.45 116.25 117.50 1tnp h VAL 45 Ca 0.90 -0.07 0.12 0.00 0.82 0.00 0.00 66.70 68.47 1tnp h VAL 45 Cb 3.27 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 33.29 1tnp h VAL 45 CO -0.21 0.01 0.46 0.24 0.02 0.00 0.00 177.57 178.08 1tnp h MET 46 N -1.02 0.44 -0.39 1.57 2.86 -1.08 -1.37 114.93 115.93 1tnp h MET 46 Ca -0.10 -0.03 -0.15 0.00 -2.06 0.00 0.00 59.70 57.37 1tnp h MET 46 Cb 0.76 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 1tnp h MET 46 CO 0.16 0.29 -0.34 0.00 1.06 0.00 0.00 176.91 178.08 1tnp h ARG 47 N 0.45 0.90 -0.49 1.72 3.08 -1.45 -2.75 114.38 115.84 1tnp h ARG 47 Ca 0.32 -0.44 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1tnp h ARG 47 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1tnp h ARG 47 CO -0.10 1.09 0.00 -0.12 -1.07 0.00 0.00 179.97 179.77 1tnp n MET 48 N -4.07 1.81 -0.07 0.04 1.56 -0.53 -3.13 117.12 112.73 1tnp n MET 48 Ca -0.01 -0.88 -0.09 0.00 -0.27 0.00 0.00 57.70 56.45 1tnp n MET 48 Cb 0.52 -1.41 -0.08 0.00 2.15 0.00 0.00 33.22 34.40 1tnp n MET 48 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1tnp n LEU 49 N 0.18 1.69 0.00 -0.89 4.77 -1.05 -5.02 117.00 116.68 1tnp n LEU 49 Ca 0.08 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1tnp n LEU 49 Cb 0.34 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1tnp n LEU 49 CO 0.07 0.56 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 1tnp n GLY 50 N 2.55 -0.07 3.18 -0.72 0.00 -1.15 -5.14 105.19 103.84 1tnp n GLY 50 Ca -0.24 -0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.67 1tnp n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tnp s GLN 51 N 0.00 0.89 -0.25 1.61 -1.52 -1.17 -5.02 119.66 114.20 1tnp s GLN 51 Ca 0.00 -1.38 0.17 0.00 -1.95 0.00 0.00 55.36 52.20 1tnp s GLN 51 Cb 0.00 -0.17 0.48 0.00 -0.22 0.00 0.00 33.01 33.11 1tnp s GLN 51 CO 0.00 -0.06 1.15 0.09 -0.25 0.00 0.00 175.29 176.21 1tnp n ASN 52 N -0.08 2.64 -4.29 5.90 3.02 -1.26 -4.47 115.26 116.71 1tnp n ASN 52 Ca -0.11 -2.67 -0.29 0.00 -0.03 0.00 0.00 54.58 51.48 1tnp n ASN 52 Cb 0.62 -0.42 0.22 0.00 -0.61 0.00 0.00 39.78 39.59 1tnp n ASN 52 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1tnp s PRO 53 N -3.42 -0.72 0.38 3.52 0.04 -1.26 -5.07 135.00 128.47 1tnp s PRO 53 Ca 0.36 0.38 0.07 0.00 0.04 0.00 0.00 61.00 61.85 1tnp s PRO 53 Cb 0.36 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 33.27 1tnp s PRO 53 CO -0.03 -3.47 0.43 0.99 0.04 0.00 0.00 177.00 174.97 1tnp s THR 54 N -2.79 3.25 0.14 1.26 2.01 -1.26 -5.04 115.64 113.21 1tnp s THR 54 Ca 0.68 -1.18 -0.03 0.00 0.31 0.00 0.00 61.69 61.46 1tnp s THR 54 Cb -0.17 -3.13 -0.17 0.00 0.01 0.00 0.00 72.50 69.04 1tnp s THR 54 CO 0.59 -0.07 1.32 0.07 -0.69 0.00 0.00 174.62 175.84 1tnp h LYS 55 N 0.94 0.39 -0.53 4.92 2.10 -2.00 -3.19 116.57 119.21 1tnp h LYS 55 Ca -0.43 -0.41 -0.04 0.00 -2.00 0.00 0.00 60.65 57.77 1tnp h LYS 55 Cb 1.27 0.11 -0.03 0.00 -0.90 0.00 0.00 32.23 32.68 1tnp h LYS 55 CO 0.53 1.08 0.15 1.49 -2.00 0.00 0.00 179.45 180.70 1tnp h GLU 56 N 0.23 0.80 -0.37 0.07 4.57 -2.00 -2.09 114.58 115.78 1tnp h GLU 56 Ca -0.07 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 57.84 1tnp h GLU 56 Cb 1.54 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.99 1tnp h GLU 56 CO 0.16 0.70 -0.27 0.93 -1.18 0.00 0.00 179.01 179.35 1tnp h GLU 57 N 0.78 0.78 -0.45 1.92 5.08 -1.98 -2.65 114.58 118.05 1tnp h GLU 57 Ca 0.18 -0.34 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1tnp h GLU 57 Cb 0.25 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 1tnp h GLU 57 CO -0.01 0.96 0.28 1.25 -1.00 0.00 0.00 179.01 180.49 1tnp h LEU 58 N 0.67 0.52 -0.98 1.33 6.46 -1.37 -1.37 115.31 120.57 1tnp h LEU 58 Ca 0.08 -0.02 -0.09 0.00 -0.12 0.00 0.00 57.88 57.73 1tnp h LEU 58 Cb 0.79 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1tnp h LEU 58 CO 0.07 0.39 -0.27 0.44 -0.62 0.00 0.00 178.44 178.45 1tnp h ASP 59 N 0.61 0.42 -0.57 1.25 3.32 -1.15 -2.90 116.42 117.39 1tnp h ASP 59 Ca 0.16 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.98 1tnp h ASP 59 Cb -0.04 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1tnp h ASP 59 CO -0.03 0.68 0.02 0.00 -1.72 0.00 0.00 179.24 178.19 1tnp h ALA 60 N 1.35 0.77 -1.02 3.45 0.00 -1.14 -2.71 119.26 119.95 1tnp h ALA 60 Ca 0.05 -0.29 0.27 0.00 0.00 0.00 0.00 54.91 54.94 1tnp h ALA 60 Cb 0.67 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 1tnp h ALA 60 CO 0.05 0.58 0.69 0.82 0.00 0.00 0.00 179.25 181.39 1tnp h ILE 61 N 0.88 0.53 -0.11 0.00 2.04 -1.28 0.11 117.51 119.69 1tnp h ILE 61 Ca 0.16 -0.09 -0.05 0.00 1.00 0.00 0.00 64.86 65.88 1tnp h ILE 61 Cb 0.52 0.24 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1tnp h ILE 61 CO 0.03 0.05 -0.11 0.40 0.00 0.00 0.00 178.15 178.51 1tnp h ILE 62 N 0.27 1.36 -0.10 -0.67 2.04 -1.55 -1.68 117.51 117.18 1tnp h ILE 62 Ca 0.54 -1.27 0.00 0.00 1.00 0.00 0.00 64.86 65.13 1tnp h ILE 62 Cb 1.61 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 39.64 1tnp h ILE 62 CO -0.18 0.36 0.06 -0.08 0.00 0.00 0.00 178.15 178.31 1tnp h GLU 63 N -0.13 0.13 0.00 2.37 4.57 -0.81 0.45 114.58 121.16 1tnp h GLU 63 Ca 0.02 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.96 1tnp h GLU 63 Cb 0.63 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 1tnp h GLU 63 CO 0.03 0.09 -1.64 -1.91 -1.18 0.00 0.00 179.01 174.40 1tnp n GLU 64 N -4.52 0.63 -0.18 1.92 4.07 -0.96 -3.71 120.64 117.89 1tnp n GLU 64 Ca -0.02 0.21 0.09 0.00 -0.06 0.00 0.00 57.16 57.39 1tnp n GLU 64 Cb 0.09 -1.76 0.16 0.00 -0.06 0.00 0.00 31.44 29.86 1tnp n GLU 64 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 1tnp n VAL 65 N -2.91 1.98 -2.47 6.31 3.14 -0.64 -4.62 118.33 119.12 1tnp n VAL 65 Ca -0.14 -2.32 -0.03 0.00 -2.96 0.00 0.00 64.34 58.88 1tnp n VAL 65 Cb 0.94 -0.24 0.07 0.00 -1.06 0.00 0.00 33.84 33.55 1tnp n VAL 65 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1tnp n ASP 66 N -1.29 -1.20 0.00 6.55 2.03 0.15 -4.83 116.55 117.97 1tnp n ASP 66 Ca 0.17 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.48 1tnp n ASP 66 Cb 0.69 0.52 0.00 0.00 -0.72 0.00 0.00 41.12 41.61 1tnp n ASP 66 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1tnp n GLU 67 N -1.03 0.00 -0.03 -0.67 2.13 -1.24 -4.50 120.64 115.30 1tnp n GLU 67 Ca -0.18 0.37 -0.01 0.00 0.66 0.00 0.00 57.16 57.99 1tnp n GLU 67 Cb 0.79 -1.14 -0.00 0.00 0.27 0.00 0.00 31.44 31.35 1tnp n GLU 67 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1tnp h ASP 68 N 0.00 0.00 0.00 4.31 1.82 -1.96 -3.51 116.42 117.08 1tnp h ASP 68 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1tnp h ASP 68 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1tnp h ASP 68 CO 0.00 0.34 0.00 0.61 -1.61 0.00 0.00 179.24 178.58 1tnp n GLY 69 N 1.77 1.65 2.33 -0.78 0.00 -1.26 -5.20 105.19 103.69 1tnp n GLY 69 Ca -0.02 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.77 1tnp n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1tnp n SER 70 N 0.00 -0.76 -2.88 1.61 3.41 -1.26 -5.02 113.62 108.72 1tnp n SER 70 Ca 0.00 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.40 1tnp n SER 70 Cb 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 1tnp n SER 70 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1tnp n GLY 71 N -0.52 -1.03 0.00 5.00 0.00 -1.26 -5.09 105.19 102.29 1tnp n GLY 71 Ca 0.02 -1.60 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1tnp n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tnp n THR 72 N -0.46 0.00 -3.95 2.61 -2.24 -1.26 -5.04 114.28 103.93 1tnp n THR 72 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1tnp n THR 72 Cb 0.00 -1.45 -0.07 0.00 -2.10 0.00 0.00 70.33 66.71 1tnp n THR 72 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1tnp s ILE 73 N 0.33 5.28 0.53 2.28 -1.16 -1.21 -4.99 121.20 122.25 1tnp s ILE 73 Ca 0.00 0.12 0.07 0.00 -0.51 0.00 0.00 60.65 60.33 1tnp s ILE 73 Cb 0.00 -3.30 0.07 0.00 0.61 0.00 0.00 42.46 39.84 1tnp s ILE 73 CO 0.00 0.60 0.58 0.47 -2.81 0.00 0.00 174.94 173.78 1tnp n ASP 74 N 2.19 2.30 0.09 4.50 9.92 -1.26 -2.62 116.55 131.67 1tnp n ASP 74 Ca -0.19 -2.61 -0.11 0.00 -0.53 0.00 0.00 54.79 51.35 1tnp n ASP 74 Cb 0.54 -0.23 -0.08 0.00 -0.64 0.00 0.00 41.12 40.71 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1tnp h PHE 75 N 0.36 0.31 -0.03 1.24 3.57 -2.00 -2.52 116.94 117.88 1tnp h PHE 75 Ca -0.29 -0.20 -0.00 0.00 3.53 0.00 0.00 57.97 61.01 1tnp h PHE 75 Cb 1.18 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.90 1tnp h PHE 75 CO 0.00 1.10 0.01 0.93 -2.23 0.00 0.00 178.31 178.12 1tnp h GLU 76 N 0.08 0.05 -0.02 1.11 5.08 -1.96 -2.65 114.58 116.26 1tnp h GLU 76 Ca -0.07 -0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 1tnp h GLU 76 Cb 1.74 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1tnp h GLU 76 CO 0.16 0.18 -0.29 1.49 -1.00 0.00 0.00 179.01 179.56 1tnp h GLU 77 N -0.10 0.03 -0.74 2.33 4.81 -1.94 -2.64 114.58 116.33 1tnp h GLU 77 Ca 0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tnp h GLU 77 Cb 0.16 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1tnp h GLU 77 CO -0.00 0.32 0.45 0.35 -0.73 0.00 0.00 179.01 179.40 1tnp h PHE 78 N 0.03 0.96 -0.12 0.92 3.57 -1.11 -2.06 116.94 119.14 1tnp h PHE 78 Ca 0.00 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1tnp h PHE 78 Cb 0.53 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.94 1tnp h PHE 78 CO 0.00 0.63 -0.56 -0.07 -2.23 0.00 0.00 178.31 176.08 1tnp h LEU 79 N 1.01 0.40 -0.63 0.59 3.38 -1.18 -2.97 115.31 115.91 1tnp h LEU 79 Ca 0.27 -0.21 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 1tnp h LEU 79 Cb -0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 1tnp h LEU 79 CO -0.05 0.88 -0.27 0.58 0.09 0.00 0.00 178.44 179.67 1tnp h VAL 80 N 0.27 1.28 -0.06 1.22 2.07 -1.31 -3.00 116.25 116.71 1tnp h VAL 80 Ca 0.00 -1.41 -0.19 0.00 0.82 0.00 0.00 66.70 65.92 1tnp h VAL 80 Cb 1.07 1.27 -0.00 0.00 -1.52 0.00 0.00 31.29 32.11 1tnp h VAL 80 CO 0.09 0.47 -0.77 0.00 0.02 0.00 0.00 177.57 177.38 1tnp h MET 81 N 0.68 0.41 0.65 1.57 -0.00 -1.42 -3.24 114.93 113.58 1tnp h MET 81 Ca 0.08 -0.36 -0.03 0.00 -0.00 0.00 0.00 59.70 59.40 1tnp h MET 81 Cb 0.80 0.08 0.01 0.00 -0.00 0.00 0.00 31.60 32.49 1tnp h MET 81 CO 0.07 1.00 -0.31 0.52 -0.00 0.00 0.00 176.91 178.19 1tnp h MET 82 N 0.27 -0.84 -1.09 -0.10 2.86 -1.41 -2.57 114.93 112.05 1tnp h MET 82 Ca -0.04 0.06 0.31 0.00 -2.06 0.00 0.00 59.70 57.97 1tnp h MET 82 Cb 1.36 0.19 -0.05 0.00 0.06 0.00 0.00 31.60 33.16 1tnp h MET 82 CO 0.13 -0.52 0.77 0.28 1.06 0.00 0.00 176.91 178.63 1tnp h VAL 83 N -1.06 0.46 0.64 -2.22 2.07 -1.63 -1.63 116.25 112.89 1tnp h VAL 83 Ca -0.09 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1tnp h VAL 83 Cb 0.71 0.39 0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1tnp h VAL 83 CO 0.15 0.01 -0.31 -0.09 0.02 0.00 0.00 177.57 177.35 1tnp h ARG 84 N 0.07 -0.83 0.10 1.57 9.65 -1.48 -3.21 114.38 120.24 1tnp h ARG 84 Ca 0.54 0.06 0.01 0.00 -1.10 0.00 0.00 59.98 59.48 1tnp h ARG 84 Cb 1.99 0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 30.74 1tnp h ARG 84 CO -0.06 -0.56 -0.15 0.37 2.80 0.00 0.00 179.97 182.38 1tnp h GLN 85 N -0.86 -0.29 -1.10 0.20 4.15 -1.21 -2.73 115.11 113.26 1tnp h GLN 85 Ca -0.09 0.02 0.34 0.00 0.77 0.00 0.00 58.65 59.69 1tnp h GLN 85 Cb 0.66 0.07 -0.13 0.00 0.21 0.00 0.00 27.48 28.29 1tnp h GLN 85 CO 0.14 -0.19 0.68 0.52 -1.93 0.00 0.00 178.83 178.05 1tnp h MET 86 N -0.30 0.27 0.78 1.69 2.86 -1.59 0.19 114.93 118.84 1tnp h MET 86 Ca 0.02 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1tnp h MET 86 Cb 0.31 -0.06 0.01 0.00 0.06 0.00 0.00 31.60 31.91 1tnp h MET 86 CO -0.08 0.18 -0.37 -0.22 1.06 0.00 0.00 176.91 177.48 1tnp h LYS 87 N 0.28 -1.01 -5.41 1.72 1.63 -1.48 -3.49 116.57 108.82 1tnp h LYS 87 Ca 0.72 0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 60.59 1tnp h LYS 87 Cb 1.87 0.23 0.00 0.00 -0.60 0.00 0.00 32.23 33.73 1tnp h LYS 87 CO -0.47 -0.66 -1.00 -1.91 -3.45 0.00 0.00 179.45 171.96 1tnp n GLU 88 N -5.52 -2.82 -3.11 1.90 2.13 0.67 -4.94 120.64 108.96 1tnp n GLU 88 Ca -0.14 2.37 -0.44 0.00 0.66 0.00 0.00 57.16 59.61 1tnp n GLU 88 Cb 0.42 -4.44 -0.06 0.00 0.27 0.00 0.00 31.44 27.63 1tnp n GLU 88 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1tnp s ASP 89 N -1.50 6.25 0.00 4.31 -4.77 -1.26 -5.16 116.67 114.53 1tnp s ASP 89 Ca 0.00 -0.79 0.00 0.00 -3.30 0.00 0.00 52.55 48.46 1tnp s ASP 89 Cb -0.00 -2.31 0.00 0.00 -1.09 0.00 0.00 42.92 39.52 1tnp s ASP 89 CO 0.62 -0.93 0.00 0.00 0.70 0.00 0.00 175.17 175.55