#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 1.60 -0.83 0.00 0.01 -1.26 -5.04 113.70 108.18 1tnp s SER 2 Ca 0.00 -0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.01 1tnp s SER 2 Cb 0.00 -0.69 0.33 0.00 0.21 0.00 0.00 66.02 65.88 1tnp s SER 2 CO 0.00 -0.04 2.07 1.15 0.41 0.00 0.00 173.24 176.82 1tnp n MET 3 N 4.23 2.75 -0.12 12.44 3.85 -1.26 -4.62 117.12 134.40 1tnp n MET 3 Ca -0.20 -3.47 0.03 0.00 -1.00 0.00 0.00 57.70 53.06 1tnp n MET 3 Cb 0.51 -2.26 0.09 0.00 -1.05 0.00 0.00 33.22 30.50 1tnp n MET 3 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1tnp n THR 4 N -0.46 0.34 -2.27 3.17 -2.24 -1.26 -3.84 114.28 107.72 1tnp n THR 4 Ca 0.54 -0.28 -0.05 0.00 -2.27 0.00 0.00 64.05 61.99 1tnp n THR 4 Cb 0.25 0.03 0.01 0.00 -2.10 0.00 0.00 70.33 68.52 1tnp n THR 4 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1tnp n ASP 5 N 0.09 -1.03 0.12 3.42 5.68 -1.26 -4.93 116.55 118.63 1tnp n ASP 5 Ca 0.07 -2.08 0.02 0.00 -0.50 0.00 0.00 54.79 52.30 1tnp n ASP 5 Cb 0.22 0.39 0.36 0.00 -1.14 0.00 0.00 41.12 40.96 1tnp n ASP 5 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 1tnp h GLN 6 N 0.44 0.23 -0.16 0.11 3.07 -1.91 -3.27 115.11 113.62 1tnp h GLN 6 Ca -0.51 -0.06 0.03 0.00 0.09 0.00 0.00 58.65 58.20 1tnp h GLN 6 Cb 1.39 -0.03 -0.06 0.00 0.08 0.00 0.00 27.48 28.86 1tnp h GLN 6 CO -0.23 0.41 -0.47 -0.56 0.09 0.00 0.00 178.83 178.07 1tnp h GLN 7 N 0.22 -0.45 -0.32 0.06 3.07 -1.91 -1.34 115.11 114.43 1tnp h GLN 7 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.80 1tnp h GLN 7 Cb 0.44 0.10 -0.02 0.00 0.08 0.00 0.00 27.48 28.09 1tnp h GLN 7 CO 0.03 -0.30 0.14 0.00 0.09 0.00 0.00 178.83 178.78 1tnp h ALA 8 N -0.41 1.64 -0.77 0.06 0.00 -1.93 -2.57 119.26 115.28 1tnp h ALA 8 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1tnp h ALA 8 Cb 0.57 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1tnp h ALA 8 CO -0.41 0.29 0.51 0.93 0.00 0.00 0.00 179.25 180.57 1tnp h GLU 9 N 0.45 0.96 -0.40 0.00 4.39 -1.31 -2.19 114.58 116.48 1tnp h GLU 9 Ca 0.11 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1tnp h GLU 9 Cb 0.08 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.49 1tnp h GLU 9 CO -0.01 0.64 0.02 0.00 -1.16 0.00 0.00 179.01 178.49 1tnp h ALA 10 N 1.53 1.28 -0.20 3.43 0.00 -1.07 -2.51 119.26 121.74 1tnp h ALA 10 Ca 0.30 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 1tnp h ALA 10 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1tnp h ALA 10 CO -0.08 0.49 -0.31 0.07 0.00 0.00 0.00 179.25 179.43 1tnp h ARG 11 N 0.60 0.39 -0.75 0.00 0.11 -1.50 -2.67 114.38 110.56 1tnp h ARG 11 Ca 0.13 -0.16 0.16 0.00 0.10 0.00 0.00 59.98 60.21 1tnp h ARG 11 Cb 0.36 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.37 1tnp h ARG 11 CO 0.01 0.66 0.51 0.00 0.10 0.00 0.00 179.97 181.25 1tnp h ALA 12 N 1.34 2.20 -0.88 0.08 0.00 -1.39 -1.43 119.26 119.18 1tnp h ALA 12 Ca 0.05 -0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.42 1tnp h ALA 12 Cb 0.71 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 18.20 1tnp h ALA 12 CO 0.05 -0.41 0.68 0.34 0.00 0.00 0.00 179.25 179.92 1tnp n PHE 13 N -4.46 2.79 -3.69 0.00 7.35 -1.01 -4.85 117.46 113.60 1tnp n PHE 13 Ca 0.15 -2.25 -0.12 0.00 -0.76 0.00 0.00 57.45 54.47 1tnp n PHE 13 Cb 0.58 -1.11 -0.09 0.00 0.35 0.00 0.00 39.48 39.21 1tnp n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1tnp s LEU 14 N -3.15 -0.16 1.26 -2.13 1.43 -0.54 -5.05 118.68 110.35 1tnp s LEU 14 Ca 0.54 1.10 -0.19 0.00 -1.03 0.00 0.00 54.13 54.55 1tnp s LEU 14 Cb 0.44 1.82 0.31 0.00 0.03 0.00 0.00 46.19 48.78 1tnp s LEU 14 CO 0.04 -0.19 1.02 -0.44 0.23 0.00 0.00 176.35 177.01 1tnp s SER 15 N 0.63 0.31 -0.09 2.29 0.01 -1.26 -4.94 113.70 110.65 1tnp s SER 15 Ca -0.03 0.94 -0.23 0.00 1.31 0.00 0.00 55.95 57.94 1tnp s SER 15 Cb -0.05 -1.38 -0.29 0.00 0.21 0.00 0.00 66.02 64.51 1tnp s SER 15 CO -0.04 -4.53 0.79 -0.08 0.41 0.00 0.00 173.24 169.79 1tnp h GLU 16 N -2.86 0.20 0.01 12.44 4.81 -2.00 -3.29 114.58 123.89 1tnp h GLU 16 Ca -0.49 -0.34 -0.19 0.00 -0.13 0.00 0.00 59.36 58.20 1tnp h GLU 16 Cb 1.32 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.82 1tnp h GLU 16 CO 0.38 1.16 -0.87 1.49 -0.73 0.00 0.00 179.01 180.44 1tnp h GLU 17 N -0.56 0.14 -0.59 1.92 4.81 -2.02 -3.00 114.58 115.29 1tnp h GLU 17 Ca -0.13 -0.16 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 1tnp h GLU 17 Cb 1.47 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.87 1tnp h GLU 17 CO 0.09 0.92 0.39 1.98 -0.73 0.00 0.00 179.01 181.66 1tnp h MET 18 N 0.08 0.56 -0.76 1.92 4.05 -1.96 -1.23 114.93 117.59 1tnp h MET 18 Ca -0.04 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.38 1tnp h MET 18 Cb 1.51 -0.13 -0.05 0.00 -0.80 0.00 0.00 31.60 32.13 1tnp h MET 18 CO 0.13 0.37 0.48 0.82 0.23 0.00 0.00 176.91 178.94 1tnp h ILE 19 N 0.58 1.11 -0.98 1.77 2.04 -1.59 -2.29 117.51 118.15 1tnp h ILE 19 Ca 0.25 -0.32 0.24 0.00 1.00 0.00 0.00 64.86 66.03 1tnp h ILE 19 Cb 0.25 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.35 1tnp h ILE 19 CO -0.07 0.17 0.65 0.00 0.00 0.00 0.00 178.15 178.90 1tnp h ALA 20 N 1.32 2.35 -0.14 1.87 0.00 -1.33 -0.74 119.26 122.60 1tnp h ALA 20 Ca 0.31 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 1tnp h ALA 20 Cb 0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1tnp h ALA 20 CO -0.11 -0.68 -0.35 1.49 0.00 0.00 0.00 179.25 179.59 1tnp h GLU 21 N 0.33 0.49 -0.59 0.00 4.81 -1.51 -3.06 114.58 115.06 1tnp h GLU 21 Ca 0.52 -0.34 0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1tnp h GLU 21 Cb 1.44 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.84 1tnp h GLU 21 CO -0.19 0.95 0.39 0.74 -0.73 0.00 0.00 179.01 180.17 1tnp h PHE 22 N 0.11 0.55 -0.06 0.92 -1.00 -1.17 -2.58 116.94 113.71 1tnp h PHE 22 Ca -0.00 0.01 -0.01 0.00 2.81 0.00 0.00 57.97 60.79 1tnp h PHE 22 Cb 0.96 -0.18 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 1tnp h PHE 22 CO 0.10 0.29 0.02 0.87 -1.61 0.00 0.00 178.31 177.98 1tnp h LYS 23 N 0.55 0.09 -0.32 1.51 1.57 -1.38 -2.41 116.57 116.18 1tnp h LYS 23 Ca 0.26 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1tnp h LYS 23 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1tnp h LYS 23 CO -0.07 0.28 0.05 0.00 -0.57 0.00 0.00 179.45 179.14 1tnp h ALA 24 N 0.80 1.51 0.05 3.86 0.00 -1.43 -2.72 119.26 121.33 1tnp h ALA 24 Ca 0.02 -0.15 -0.24 0.00 0.00 0.00 0.00 54.91 54.55 1tnp h ALA 24 Cb 0.23 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1tnp h ALA 24 CO -0.00 0.36 -1.03 0.00 0.00 0.00 0.00 179.25 178.58 1tnp h ALA 25 N 1.61 0.31 -0.40 0.00 0.00 -1.41 -3.26 119.26 116.11 1tnp h ALA 25 Ca 0.11 -0.78 -0.15 0.00 0.00 0.00 0.00 54.91 54.09 1tnp h ALA 25 Cb 0.21 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1tnp h ALA 25 CO -0.00 0.90 -0.35 0.35 0.00 0.00 0.00 179.25 180.15 1tnp h PHE 26 N 0.14 1.12 0.00 0.00 3.57 -1.19 -2.99 116.94 117.59 1tnp h PHE 26 Ca -0.09 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.05 1tnp h PHE 26 Cb 1.70 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 40.20 1tnp h PHE 26 CO 0.05 1.15 -0.16 0.38 -2.23 0.00 0.00 178.31 177.51 1tnp h ASP 27 N 0.77 0.00 -0.89 0.41 3.04 -1.56 -2.74 116.42 115.46 1tnp h ASP 27 Ca 0.07 0.00 0.03 0.00 -3.24 0.00 0.00 57.03 53.89 1tnp h ASP 27 Cb 0.94 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.18 1tnp h ASP 27 CO 0.09 0.16 0.58 0.24 -2.04 0.00 0.00 179.24 178.27 1tnp h MET 28 N 0.00 1.09 -0.57 4.15 2.86 -1.56 -2.45 114.93 118.45 1tnp h MET 28 Ca -0.00 -0.07 -0.35 0.00 -2.06 0.00 0.00 59.70 57.22 1tnp h MET 28 Cb 0.32 -0.25 -0.22 0.00 0.06 0.00 0.00 31.60 31.51 1tnp h MET 28 CO 0.02 0.72 -0.08 1.19 1.06 0.00 0.00 176.91 179.83 1tnp n PHE 29 N -4.52 1.87 -2.87 -0.22 3.72 -1.05 -4.68 117.46 109.72 1tnp n PHE 29 Ca 0.11 -1.98 -0.12 0.00 -0.05 0.00 0.00 57.45 55.41 1tnp n PHE 29 Cb 0.08 -0.63 0.03 0.00 -0.94 0.00 0.00 39.48 38.03 1tnp n PHE 29 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1tnp n ASP 30 N -1.01 -1.80 -4.55 4.37 2.03 -0.92 -4.77 116.55 109.91 1tnp n ASP 30 Ca 0.41 -3.31 -0.43 0.00 0.52 0.00 0.00 54.79 51.99 1tnp n ASP 30 Cb 1.00 1.19 -0.00 0.00 -0.72 0.00 0.00 41.12 42.58 1tnp n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tnp s ALA 31 N -0.11 3.44 0.00 -1.67 0.00 -1.25 -4.43 121.76 117.73 1tnp s ALA 31 Ca 0.30 -2.98 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1tnp s ALA 31 Cb 0.25 -4.53 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1tnp s ALA 31 CO -0.14 -3.20 0.00 -0.25 0.00 0.00 0.00 175.76 172.17 1tnp n ASP 32 N 7.82 0.00 0.00 0.00 8.00 -1.26 -5.09 116.55 126.02 1tnp n ASP 32 Ca 0.45 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1tnp n ASP 32 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 1tnp n ASP 32 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1tnp n GLY 33 N -0.37 2.87 0.00 0.44 0.00 -1.26 -5.06 105.19 101.81 1tnp n GLY 33 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 -3.16 0.00 -0.02 0.00 -1.26 -4.97 105.19 95.78 1tnp n GLY 34 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.92 0.29 3.43 -0.02 0.00 -1.26 -5.12 105.19 101.58 1tnp n GLY 35 Ca 0.00 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -0.53 -0.01 1.61 -4.77 -1.26 -4.32 116.67 107.38 1tnp s ASP 36 Ca 0.00 0.18 -0.10 0.00 -3.30 0.00 0.00 52.55 49.32 1tnp s ASP 36 Cb 0.00 0.55 0.01 0.00 -1.09 0.00 0.00 42.92 42.39 1tnp s ASP 36 CO 0.00 -0.82 0.22 0.27 0.70 0.00 0.00 175.17 175.54 1tnp s ILE 37 N -2.87 0.06 0.58 2.11 -5.25 -1.04 -4.77 121.20 110.02 1tnp s ILE 37 Ca -0.03 -0.53 -0.18 0.00 -0.99 0.00 0.00 60.65 58.91 1tnp s ILE 37 Cb -0.00 -0.50 -0.08 0.00 2.95 0.00 0.00 42.46 44.83 1tnp s ILE 37 CO -0.05 -0.29 0.64 -0.24 -1.79 0.00 0.00 174.94 173.21 1tnp n SER 38 N 1.53 -0.57 0.09 4.36 2.88 -1.26 -3.11 113.62 117.54 1tnp n SER 38 Ca -0.21 0.76 -0.05 0.00 -1.33 0.00 0.00 58.87 58.04 1tnp n SER 38 Cb 0.56 -1.23 -0.01 0.00 -0.75 0.00 0.00 64.21 62.78 1tnp n SER 38 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1tnp h THR 39 N 0.30 1.61 -0.31 2.46 1.03 -1.96 -2.61 112.91 113.44 1tnp h THR 39 Ca -0.46 -2.93 -0.09 0.00 -0.01 0.00 0.00 66.41 62.92 1tnp h THR 39 Cb 1.39 2.58 -0.02 0.00 -1.07 0.00 0.00 68.15 71.04 1tnp h THR 39 CO 0.48 0.84 -0.19 0.07 -0.01 0.00 0.00 175.52 176.70 1tnp h LYS 40 N 0.00 0.57 0.06 0.00 5.09 -1.98 -3.14 116.57 117.17 1tnp h LYS 40 Ca -0.01 -0.20 -0.27 0.00 0.09 0.00 0.00 60.65 60.26 1tnp h LYS 40 Cb 1.51 -0.04 -0.02 0.00 0.10 0.00 0.00 32.23 33.78 1tnp h LYS 40 CO 0.11 0.73 -1.37 0.93 -2.09 0.00 0.00 179.45 177.76 1tnp h GLU 41 N 0.51 0.13 -1.15 0.07 4.39 -1.93 -3.34 114.58 113.25 1tnp h GLU 41 Ca 0.08 -0.22 0.44 0.00 0.34 0.00 0.00 59.36 60.00 1tnp h GLU 41 Cb 0.62 0.08 -0.16 0.00 -0.10 0.00 0.00 28.75 29.19 1tnp h GLU 41 CO 0.04 0.98 0.68 1.25 -1.16 0.00 0.00 179.01 180.80 1tnp h LEU 42 N 0.04 0.28 0.14 1.33 6.46 -1.41 0.25 115.31 122.39 1tnp h LEU 42 Ca -0.17 0.22 -0.00 0.00 -0.12 0.00 0.00 57.88 57.80 1tnp h LEU 42 Cb 1.94 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 42.08 1tnp h LEU 42 CO 0.14 -0.36 -0.16 1.23 -0.62 0.00 0.00 178.44 178.68 1tnp h GLY 43 N 0.02 -0.90 -1.10 3.75 0.00 -1.72 -2.89 103.07 100.22 1tnp h GLY 43 Ca 0.86 0.40 0.44 0.00 0.00 0.00 0.00 47.33 49.03 1tnp h GLY 43 CO -0.64 -0.31 0.66 -0.84 0.00 0.00 0.00 176.54 175.41 1tnp h THR 44 N -0.30 0.02 0.29 4.70 2.02 -0.75 -0.50 112.91 118.38 1tnp h THR 44 Ca -0.02 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1tnp h THR 44 Cb 0.27 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1tnp h THR 44 CO -0.03 0.00 -0.32 0.58 0.37 0.00 0.00 175.52 176.12 1tnp h VAL 45 N 0.02 0.32 -0.83 3.16 2.07 -1.26 -2.00 116.25 117.72 1tnp h VAL 45 Ca 0.86 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.54 1tnp h VAL 45 Cb 2.43 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 1tnp h VAL 45 CO -0.66 0.00 0.55 0.24 0.02 0.00 0.00 177.57 177.73 1tnp h MET 46 N -0.66 0.45 -0.42 1.57 2.86 -1.09 -0.80 114.93 116.84 1tnp h MET 46 Ca -0.01 -0.03 -0.14 0.00 -2.06 0.00 0.00 59.70 57.46 1tnp h MET 46 Cb 0.61 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.16 1tnp h MET 46 CO -0.08 0.30 -0.30 0.00 1.06 0.00 0.00 176.91 177.89 1tnp h ARG 47 N 0.46 0.93 -0.52 1.72 3.08 -1.37 -2.61 114.38 116.07 1tnp h ARG 47 Ca 0.42 -0.43 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1tnp h ARG 47 Cb 0.94 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1tnp h ARG 47 CO -0.16 1.09 0.00 -1.33 -1.07 0.00 0.00 179.97 178.51 1tnp n MET 48 N -4.08 1.85 -0.07 0.04 2.81 -0.33 -3.12 117.12 114.22 1tnp n MET 48 Ca -0.01 -0.91 -0.08 0.00 -1.81 0.00 0.00 57.70 54.90 1tnp n MET 48 Cb 0.50 -1.44 -0.09 0.00 -0.71 0.00 0.00 33.22 31.48 1tnp n MET 48 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 1tnp n LEU 49 N 0.19 0.90 0.00 4.03 4.77 -1.00 -5.01 117.00 120.88 1tnp n LEU 49 Ca 0.08 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1tnp n LEU 49 Cb 0.36 0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 1tnp n LEU 49 CO 0.08 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 1tnp n GLY 50 N 2.39 0.04 3.34 -0.72 0.00 -1.14 -5.13 105.19 103.96 1tnp n GLY 50 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.62 1tnp n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1tnp s GLN 51 N 0.00 1.32 -0.41 1.61 2.00 -1.13 -5.03 119.66 118.02 1tnp s GLN 51 Ca 0.00 -1.61 0.11 0.00 -2.00 0.00 0.00 55.36 51.86 1tnp s GLN 51 Cb 0.00 -0.96 0.37 0.00 0.80 0.00 0.00 33.01 33.22 1tnp s GLN 51 CO 0.00 0.10 0.84 -1.71 -0.50 0.00 0.00 175.29 174.01 1tnp n ASN 52 N -0.39 1.89 -4.18 6.67 5.15 -1.26 -4.45 115.26 118.69 1tnp n ASN 52 Ca -0.08 -3.13 -0.30 0.00 -0.60 0.00 0.00 54.58 50.48 1tnp n ASN 52 Cb 0.61 -0.58 0.20 0.00 -0.53 0.00 0.00 39.78 39.48 1tnp n ASN 52 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1tnp s PRO 53 N -2.83 -0.09 0.60 1.20 0.04 -1.26 -5.10 135.00 127.57 1tnp s PRO 53 Ca 0.40 -0.03 0.03 0.00 0.04 0.00 0.00 61.00 61.44 1tnp s PRO 53 Cb 0.36 -1.73 0.08 0.00 0.04 0.00 0.00 34.50 33.25 1tnp s PRO 53 CO -0.08 -2.96 0.83 0.99 0.04 0.00 0.00 177.00 175.82 1tnp s THR 54 N -3.30 2.40 -0.12 1.26 2.01 -1.26 -5.06 115.64 111.58 1tnp s THR 54 Ca 0.70 -0.75 -0.16 0.00 0.31 0.00 0.00 61.69 61.78 1tnp s THR 54 Cb -0.10 -2.65 -0.26 0.00 0.01 0.00 0.00 72.50 69.50 1tnp s THR 54 CO 0.55 0.00 0.51 0.11 -0.69 0.00 0.00 174.62 175.10 1tnp h LYS 55 N -0.06 0.21 -0.36 4.92 1.57 -2.00 -3.23 116.57 117.63 1tnp h LYS 55 Ca -0.37 -0.36 -0.09 0.00 -1.87 0.00 0.00 60.65 57.96 1tnp h LYS 55 Cb 1.28 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.71 1tnp h LYS 55 CO 0.44 1.17 -0.15 1.49 -0.57 0.00 0.00 179.45 181.84 1tnp h GLU 56 N -0.37 0.65 -0.13 3.15 4.81 -2.01 -2.10 114.58 118.58 1tnp h GLU 56 Ca -0.31 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.59 1tnp h GLU 56 Cb 1.71 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.03 1tnp h GLU 56 CO 0.03 0.78 -0.40 1.05 -0.73 0.00 0.00 179.01 179.74 1tnp h GLU 57 N 0.59 0.29 -0.49 1.92 -0.00 -1.99 -2.72 114.58 112.18 1tnp h GLU 57 Ca 0.10 -0.14 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 1tnp h GLU 57 Cb 0.60 -0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.32 1tnp h GLU 57 CO 0.04 0.65 0.26 1.25 -0.00 0.00 0.00 179.01 181.21 1tnp h LEU 58 N 0.25 0.60 -0.82 3.06 6.46 -1.40 -2.08 115.31 121.37 1tnp h LEU 58 Ca 0.02 -0.04 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 1tnp h LEU 58 Cb 0.81 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.58 1tnp h LEU 58 CO 0.06 0.50 -0.44 -0.78 -0.62 0.00 0.00 178.44 177.16 1tnp h ASP 59 N 0.68 0.34 0.19 1.25 3.58 -1.31 -3.17 116.42 117.98 1tnp h ASP 59 Ca 0.17 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 1tnp h ASP 59 Cb 0.04 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.00 1tnp h ASP 59 CO -0.03 0.74 -0.09 0.00 -2.88 0.00 0.00 179.24 176.99 1tnp h ALA 60 N 1.27 -0.25 -1.05 -0.78 0.00 -1.34 -2.99 119.26 114.13 1tnp h ALA 60 Ca 0.02 -0.20 0.28 0.00 0.00 0.00 0.00 54.91 55.01 1tnp h ALA 60 Cb 0.89 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 1tnp h ALA 60 CO 0.07 -0.43 0.66 0.82 0.00 0.00 0.00 179.25 180.37 1tnp h ILE 61 N -0.68 0.48 -0.05 0.00 2.04 -1.54 0.14 117.51 117.91 1tnp h ILE 61 Ca -0.03 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1tnp h ILE 61 Cb 0.48 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1tnp h ILE 61 CO 0.04 0.08 0.02 0.40 0.00 0.00 0.00 178.15 178.69 1tnp h ILE 62 N 0.42 1.13 -0.59 -0.67 5.03 -1.50 -2.41 117.51 118.92 1tnp h ILE 62 Ca 0.63 -0.38 0.12 0.00 -0.12 0.00 0.00 64.86 65.11 1tnp h ILE 62 Cb 1.52 1.29 -0.09 0.00 -3.03 0.00 0.00 36.82 36.50 1tnp h ILE 62 CO -0.37 0.11 0.04 -0.08 -0.68 0.00 0.00 178.15 177.17 1tnp h GLU 63 N -0.06 0.15 -0.57 2.37 4.57 -0.59 -0.72 114.58 119.73 1tnp h GLU 63 Ca 0.02 -0.01 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1tnp h GLU 63 Cb 0.15 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1tnp h GLU 63 CO -0.00 0.10 0.18 1.49 -1.18 0.00 0.00 179.01 179.60 1tnp h GLU 64 N 0.16 0.86 -1.03 1.92 4.22 -1.21 -2.19 114.58 117.30 1tnp h GLU 64 Ca 0.31 -0.16 -0.59 0.00 0.08 0.00 0.00 59.36 58.99 1tnp h GLU 64 Cb 0.48 -0.14 -0.28 0.00 0.50 0.00 0.00 28.75 29.31 1tnp h GLU 64 CO -0.47 0.75 0.76 0.28 -2.18 0.00 0.00 179.01 178.15 1tnp n VAL 65 N -4.29 3.39 -2.57 0.32 0.31 -0.34 -3.98 118.33 111.17 1tnp n VAL 65 Ca 0.04 -2.46 -0.01 0.00 -0.01 0.00 0.00 64.34 61.90 1tnp n VAL 65 Cb 0.20 -0.94 0.05 0.00 -0.91 0.00 0.00 33.84 32.25 1tnp n VAL 65 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1tnp n ASP 66 N -0.89 0.08 0.07 4.52 -0.08 -0.80 -4.83 116.55 114.62 1tnp n ASP 66 Ca 0.59 -2.07 -0.16 0.00 -1.51 0.00 0.00 54.79 51.63 1tnp n ASP 66 Cb 0.99 0.05 -0.14 0.00 2.34 0.00 0.00 41.12 44.36 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1tnp h GLU 67 N 1.35 0.24 -5.27 -0.67 4.81 -1.69 -3.48 114.58 109.87 1tnp h GLU 67 Ca -0.33 -0.41 -0.42 0.00 -0.13 0.00 0.00 59.36 58.07 1tnp h GLU 67 Cb 1.43 0.15 -0.14 0.00 0.63 0.00 0.00 28.75 30.82 1tnp h GLU 67 CO -0.03 1.11 -0.68 0.34 -0.73 0.00 0.00 179.01 179.03 1tnp s ASP 68 N -6.98 2.22 -0.80 1.04 -1.08 -1.26 -5.06 116.67 104.75 1tnp s ASP 68 Ca -0.08 -1.16 -0.26 0.00 -0.52 0.00 0.00 52.55 50.53 1tnp s ASP 68 Cb 0.07 -0.07 -0.17 0.00 -1.46 0.00 0.00 42.92 41.29 1tnp s ASP 68 CO 0.86 -0.40 2.51 0.61 0.52 0.00 0.00 175.17 179.27 1tnp n GLY 69 N -0.44 -0.22 0.00 2.66 0.00 -1.26 -4.79 105.19 101.14 1tnp n GLY 69 Ca -0.06 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1tnp n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tnp n SER 70 N 12.69 0.00 0.00 1.61 7.64 -1.26 -5.03 113.62 129.27 1tnp n SER 70 Ca 0.54 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.47 1tnp n SER 70 Cb 0.27 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.28 1tnp n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tnp n GLY 71 N 2.17 1.99 3.13 0.23 0.00 -1.26 -4.92 105.19 106.51 1tnp n GLY 71 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1tnp n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tnp s THR 72 N 0.00 0.87 0.16 2.61 -4.23 -1.26 -4.70 115.64 109.08 1tnp s THR 72 Ca 0.00 -1.23 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 1tnp s THR 72 Cb 0.00 -0.89 -0.05 0.00 1.34 0.00 0.00 72.50 72.90 1tnp s THR 72 CO 0.00 -0.30 0.38 -0.51 -0.54 0.00 0.00 174.62 173.64 1tnp s ILE 73 N -1.36 5.19 0.00 2.99 2.07 -1.18 -4.98 121.20 123.93 1tnp s ILE 73 Ca -0.05 -0.11 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1tnp s ILE 73 Cb -0.10 -3.66 0.00 0.00 0.13 0.00 0.00 42.46 38.83 1tnp s ILE 73 CO 0.01 -0.03 0.00 0.47 -1.91 0.00 0.00 174.94 173.48 1tnp n ASP 74 N -0.16 1.03 0.06 4.50 8.00 -1.26 -2.50 116.55 126.21 1tnp n ASP 74 Ca -0.03 -0.60 -0.15 0.00 0.71 0.00 0.00 54.79 54.71 1tnp n ASP 74 Cb 0.52 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.48 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1tnp h PHE 75 N 0.31 0.38 -0.08 1.24 3.57 -2.00 -3.00 116.94 117.36 1tnp h PHE 75 Ca 0.00 -0.28 -0.04 0.00 3.53 0.00 0.00 57.97 61.19 1tnp h PHE 75 Cb 0.00 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1tnp h PHE 75 CO 0.00 1.33 -0.09 0.93 -2.23 0.00 0.00 178.31 178.25 1tnp h GLU 76 N 0.06 0.20 -0.23 1.11 4.39 -1.97 -2.79 114.58 115.35 1tnp h GLU 76 Ca -0.23 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.31 1tnp h GLU 76 Cb 2.00 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 30.64 1tnp h GLU 76 CO 0.15 0.64 -0.08 0.93 -1.16 0.00 0.00 179.01 179.49 1tnp h GLU 77 N -0.23 0.36 -0.62 2.33 5.08 -1.93 -2.81 114.58 116.75 1tnp h GLU 77 Ca 0.01 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 1tnp h GLU 77 Cb 0.61 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 1tnp h GLU 77 CO 0.02 0.45 0.39 0.35 -1.00 0.00 0.00 179.01 179.23 1tnp h PHE 78 N 0.34 0.74 -0.11 4.33 3.57 -1.36 -1.18 116.94 123.26 1tnp h PHE 78 Ca 0.07 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.52 1tnp h PHE 78 Cb 0.37 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1tnp h PHE 78 CO 0.01 0.43 -0.23 -0.07 -2.23 0.00 0.00 178.31 176.22 1tnp h LEU 79 N 0.78 0.18 -0.83 0.59 3.38 -1.24 -2.84 115.31 115.33 1tnp h LEU 79 Ca 0.24 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 58.06 1tnp h LEU 79 Cb -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1tnp h LEU 79 CO -0.08 0.43 -0.20 0.58 0.09 0.00 0.00 178.44 179.25 1tnp h VAL 80 N 0.17 1.26 -0.17 1.22 2.07 -1.09 -2.38 116.25 117.34 1tnp h VAL 80 Ca 0.03 -1.26 -0.12 0.00 0.82 0.00 0.00 66.70 66.17 1tnp h VAL 80 Cb 0.52 1.22 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1tnp h VAL 80 CO 0.04 0.41 -0.36 0.00 0.02 0.00 0.00 177.57 177.68 1tnp h MET 81 N 0.58 0.54 0.00 1.57 -0.00 -1.19 -2.87 114.93 113.57 1tnp h MET 81 Ca 0.09 -0.36 -0.10 0.00 -0.00 0.00 0.00 59.70 59.33 1tnp h MET 81 Cb 0.66 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.30 1tnp h MET 81 CO 0.05 0.97 -0.47 0.52 -0.00 0.00 0.00 176.91 177.98 1tnp h MET 82 N 0.19 0.00 -0.00 -0.10 2.86 -1.49 -2.58 114.93 113.81 1tnp h MET 82 Ca 0.00 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.47 1tnp h MET 82 Cb 0.96 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.60 1tnp h MET 82 CO 0.08 0.47 -0.79 0.28 1.06 0.00 0.00 176.91 178.01 1tnp h VAL 83 N 0.00 1.53 0.05 -2.22 2.07 -1.42 -2.69 116.25 113.57 1tnp h VAL 83 Ca -0.00 -2.61 -0.23 0.00 0.82 0.00 0.00 66.70 64.68 1tnp h VAL 83 Cb 1.04 2.42 0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1tnp h VAL 83 CO 0.06 0.75 -0.94 0.03 0.02 0.00 0.00 177.57 177.49 1tnp h ARG 84 N 0.04 0.54 0.06 1.57 2.47 -1.32 -3.34 114.38 114.42 1tnp h ARG 84 Ca -0.02 -0.66 -0.00 0.00 -1.26 0.00 0.00 59.98 58.04 1tnp h ARG 84 Cb 1.40 0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.92 1tnp h ARG 84 CO 0.11 1.27 -0.03 0.37 0.56 0.00 0.00 179.97 182.25 1tnp h GLN 85 N 0.12 -0.08 -0.84 0.04 4.15 -1.52 -2.82 115.11 114.15 1tnp h GLN 85 Ca -0.13 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.49 1tnp h GLN 85 Cb 1.64 0.02 -0.12 0.00 0.21 0.00 0.00 27.48 29.23 1tnp h GLN 85 CO 0.18 0.45 0.31 1.98 -1.93 0.00 0.00 178.83 179.83 1tnp h MET 86 N -0.70 0.35 0.41 1.69 4.05 -1.65 -1.26 114.93 117.83 1tnp h MET 86 Ca -0.01 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.37 1tnp h MET 86 Cb 0.58 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 1tnp h MET 86 CO 0.01 0.23 -0.20 -0.22 0.23 0.00 0.00 176.91 176.97 1tnp h LYS 87 N 0.36 -0.53 0.00 0.39 3.64 -1.67 -3.49 116.57 115.27 1tnp h LYS 87 Ca 0.50 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 60.02 1tnp h LYS 87 Cb 0.91 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1tnp h LYS 87 CO -0.52 -0.22 -0.14 -0.85 -2.27 0.00 0.00 179.45 175.46 1tnp n GLU 88 N -5.18 -0.79 -3.21 1.90 0.28 -0.48 -4.76 120.64 108.42 1tnp n GLU 88 Ca -0.10 0.52 -0.39 0.00 -0.16 0.00 0.00 57.16 57.04 1tnp n GLU 88 Cb 0.29 -0.96 -0.06 0.00 1.43 0.00 0.00 31.44 32.14 1tnp n GLU 88 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 177.13 177.13 1tnp s ASP 89 N -4.81 7.00 0.00 -1.84 1.47 -1.26 -5.06 116.67 112.17 1tnp s ASP 89 Ca 0.00 1.18 0.09 0.00 1.18 0.00 0.00 52.55 55.00 1tnp s ASP 89 Cb 0.00 -2.37 0.07 0.00 -0.34 0.00 0.00 42.92 40.28 1tnp s ASP 89 CO 0.00 0.12 0.78 0.00 0.68 0.00 0.00 175.17 176.75