#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 4.92 -0.43 0.00 0.15 -1.26 -3.80 113.70 113.28 1tnp s SER 2 Ca 0.00 0.10 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 1tnp s SER 2 Cb 0.00 -2.54 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1tnp s SER 2 CO 0.00 -2.77 0.50 0.23 1.20 0.00 0.00 173.24 172.40 1tnp n MET 3 N 9.01 -1.59 -0.22 5.44 2.00 -1.26 -4.91 117.12 125.59 1tnp n MET 3 Ca 0.33 1.61 0.03 0.00 0.00 0.00 0.00 57.70 59.67 1tnp n MET 3 Cb 0.50 -4.84 0.28 0.00 0.00 0.00 0.00 33.22 29.16 1tnp n MET 3 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 175.97 177.12 1tnp h THR 4 N 1.15 1.11 0.00 2.03 2.02 -2.07 -3.38 112.91 113.76 1tnp h THR 4 Ca 0.00 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1tnp h THR 4 Cb 0.87 0.10 -0.08 0.00 -1.74 0.00 0.00 68.15 67.30 1tnp h THR 4 CO 0.19 0.17 -0.14 -0.67 0.37 0.00 0.00 175.52 175.43 1tnp n ASP 5 N -4.45 -0.78 0.02 4.18 2.03 -1.26 -4.99 116.55 111.29 1tnp n ASP 5 Ca 0.10 -1.64 -0.15 0.00 0.52 0.00 0.00 54.79 53.62 1tnp n ASP 5 Cb 0.12 0.37 -0.14 0.00 -0.72 0.00 0.00 41.12 40.75 1tnp n ASP 5 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1tnp h GLN 6 N 0.53 0.16 -0.25 -0.67 7.50 -1.96 -3.16 115.11 117.25 1tnp h GLN 6 Ca -0.24 -0.27 0.06 0.00 0.50 0.00 0.00 58.65 58.70 1tnp h GLN 6 Cb 1.16 0.10 -0.08 0.00 0.05 0.00 0.00 27.48 28.71 1tnp h GLN 6 CO -0.10 0.93 -0.36 0.37 -1.50 0.00 0.00 178.83 178.17 1tnp h GLN 7 N 0.04 -0.35 0.00 1.46 4.15 -1.94 -2.61 115.11 115.86 1tnp h GLN 7 Ca -0.28 0.02 -0.21 0.00 0.77 0.00 0.00 58.65 58.96 1tnp h GLN 7 Cb 2.00 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 29.74 1tnp h GLN 7 CO 0.12 -0.24 -1.13 0.00 -1.93 0.00 0.00 178.83 175.65 1tnp h ALA 8 N 0.45 0.54 -1.21 3.38 0.00 -1.96 -3.35 119.26 117.10 1tnp h ALA 8 Ca 0.12 -0.97 0.35 0.00 0.00 0.00 0.00 54.91 54.41 1tnp h ALA 8 Cb 0.57 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 1tnp h ALA 8 CO -0.45 1.20 0.87 1.49 0.00 0.00 0.00 179.25 182.36 1tnp h GLU 9 N 0.00 0.00 0.72 0.00 4.81 -1.43 -0.21 114.58 118.47 1tnp h GLU 9 Ca -0.09 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1tnp h GLU 9 Cb 1.75 0.00 0.01 0.00 0.63 0.00 0.00 28.75 31.14 1tnp h GLU 9 CO 0.10 0.00 -0.34 0.00 -0.73 0.00 0.00 179.01 178.03 1tnp h ALA 10 N 1.39 -1.10 -1.42 2.92 0.00 -1.68 -2.81 119.26 116.56 1tnp h ALA 10 Ca 0.57 -0.21 0.41 0.00 0.00 0.00 0.00 54.91 55.68 1tnp h ALA 10 Cb 2.31 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 20.42 1tnp h ALA 10 CO -0.01 -1.03 1.03 -0.09 0.00 0.00 0.00 179.25 179.16 1tnp h ARG 11 N -1.10 0.00 -0.12 0.00 2.43 -1.29 -2.89 114.38 111.42 1tnp h ARG 11 Ca -0.10 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.09 1tnp h ARG 11 Cb 0.74 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 1tnp h ARG 11 CO 0.16 0.00 -0.19 0.00 -1.51 0.00 0.00 179.97 178.43 1tnp h ALA 12 N 1.26 -0.49 -0.58 2.80 0.00 -1.19 -2.26 119.26 118.80 1tnp h ALA 12 Ca 0.67 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 55.24 1tnp h ALA 12 Cb 2.73 0.82 -0.18 0.00 0.00 0.00 0.00 17.79 21.17 1tnp h ALA 12 CO -0.01 -0.57 0.43 1.97 0.00 0.00 0.00 179.25 181.07 1tnp n PHE 13 N -3.59 1.81 -3.95 0.00 1.16 -1.09 -4.84 117.46 106.97 1tnp n PHE 13 Ca -0.01 -1.61 -0.21 0.00 -1.87 0.00 0.00 57.45 53.74 1tnp n PHE 13 Cb 0.12 -0.80 -0.17 0.00 -1.61 0.00 0.00 39.48 37.02 1tnp n PHE 13 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1tnp s LEU 14 N -2.02 0.96 0.55 5.98 1.43 -0.85 -5.14 118.68 119.59 1tnp s LEU 14 Ca 0.35 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 53.16 1tnp s LEU 14 Cb 0.28 -0.44 -0.06 0.00 0.03 0.00 0.00 46.19 46.01 1tnp s LEU 14 CO 0.04 -0.13 1.08 -0.94 0.23 0.00 0.00 176.35 176.63 1tnp s SER 15 N 1.45 5.90 0.42 2.29 1.04 -1.26 -4.88 113.70 118.66 1tnp s SER 15 Ca -0.03 1.97 0.10 0.00 0.48 0.00 0.00 55.95 58.47 1tnp s SER 15 Cb -0.13 -2.56 0.92 0.00 0.10 0.00 0.00 66.02 64.35 1tnp s SER 15 CO -0.03 -1.09 2.02 -0.33 0.98 0.00 0.00 173.24 174.79 1tnp h GLU 16 N 1.00 0.30 -0.47 4.02 5.08 -2.00 -2.96 114.58 119.55 1tnp h GLU 16 Ca -0.49 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 57.89 1tnp h GLU 16 Cb 1.23 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1tnp h GLU 16 CO 0.57 0.29 0.19 0.93 -1.00 0.00 0.00 179.01 179.99 1tnp h GLU 17 N 0.30 0.36 -0.46 2.33 5.08 -2.02 -1.76 114.58 118.41 1tnp h GLU 17 Ca 0.07 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1tnp h GLU 17 Cb 0.13 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 1tnp h GLU 17 CO -0.00 0.24 0.29 0.52 -1.00 0.00 0.00 179.01 179.06 1tnp h MET 18 N 0.37 0.62 -0.54 2.33 0.00 -1.92 -2.02 114.93 113.77 1tnp h MET 18 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 59.70 59.88 1tnp h MET 18 Cb 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 31.60 31.64 1tnp h MET 18 CO -0.21 0.42 0.34 0.82 0.00 0.00 0.00 176.91 178.29 1tnp h ILE 19 N 0.63 1.15 -0.23 -1.22 5.03 -1.42 -0.65 117.51 120.80 1tnp h ILE 19 Ca 0.17 -0.31 0.03 0.00 -0.12 0.00 0.00 64.86 64.63 1tnp h ILE 19 Cb -0.05 0.39 -0.06 0.00 -3.03 0.00 0.00 36.82 34.07 1tnp h ILE 19 CO -0.03 0.15 -0.48 0.00 -0.68 0.00 0.00 178.15 177.11 1tnp h ALA 20 N 1.18 -0.78 0.00 1.87 0.00 -1.28 -1.73 119.26 118.51 1tnp h ALA 20 Ca 0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1tnp h ALA 20 Cb -0.05 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1tnp h ALA 20 CO -0.04 -0.98 0.00 0.93 0.00 0.00 0.00 179.25 179.16 1tnp h GLU 21 N -0.43 0.00 0.33 0.00 5.08 -1.57 -3.31 114.58 114.68 1tnp h GLU 21 Ca 0.04 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1tnp h GLU 21 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1tnp h GLU 21 CO -0.45 0.00 -0.16 0.74 -1.00 0.00 0.00 179.01 178.15 1tnp h PHE 22 N 0.00 -0.41 -1.12 4.33 0.04 -0.20 -3.09 116.94 116.49 1tnp h PHE 22 Ca 0.00 -0.01 0.31 0.00 2.80 0.00 0.00 57.97 61.07 1tnp h PHE 22 Cb 0.58 0.13 -0.09 0.00 2.20 0.00 0.00 35.95 38.77 1tnp h PHE 22 CO 0.00 -0.25 0.75 1.57 -0.60 0.00 0.00 178.31 179.78 1tnp h LYS 23 N -0.79 0.24 -0.24 1.51 2.10 -1.61 -2.16 116.57 115.61 1tnp h LYS 23 Ca -0.04 -0.01 0.05 0.00 -2.00 0.00 0.00 60.65 58.64 1tnp h LYS 23 Cb 0.34 -0.05 -0.08 0.00 -0.90 0.00 0.00 32.23 31.54 1tnp h LYS 23 CO 0.07 0.16 -0.43 0.00 -2.00 0.00 0.00 179.45 177.26 1tnp h ALA 24 N 1.56 -0.53 -0.01 0.07 0.00 -1.62 -1.25 119.26 117.48 1tnp h ALA 24 Ca 0.62 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.46 1tnp h ALA 24 Cb 1.87 0.84 -0.01 0.00 0.00 0.00 0.00 17.79 20.48 1tnp h ALA 24 CO -0.24 -0.91 -0.41 0.00 0.00 0.00 0.00 179.25 177.70 1tnp h ALA 25 N 0.23 1.31 -0.80 0.00 0.00 -1.44 -2.86 119.26 115.70 1tnp h ALA 25 Ca 0.10 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1tnp h ALA 25 Cb 0.61 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 1tnp h ALA 25 CO -0.47 0.52 0.53 0.35 0.00 0.00 0.00 179.25 180.17 1tnp h PHE 26 N 0.02 0.92 0.00 0.00 3.57 -1.13 -2.18 116.94 118.14 1tnp h PHE 26 Ca -0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.41 1tnp h PHE 26 Cb 0.73 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 1tnp h PHE 26 CO 0.00 0.52 -0.53 0.22 -2.23 0.00 0.00 178.31 176.28 1tnp h ASP 27 N 0.94 0.00 -0.79 0.41 1.82 -1.19 -3.02 116.42 114.59 1tnp h ASP 27 Ca 0.33 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 57.01 1tnp h ASP 27 Cb 0.12 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 40.08 1tnp h ASP 27 CO -0.11 0.53 0.52 0.24 -1.61 0.00 0.00 179.24 178.82 1tnp h MET 28 N 0.00 0.93 -0.55 0.28 2.86 -1.43 -2.37 114.93 114.65 1tnp h MET 28 Ca -0.01 -0.06 -0.34 0.00 -2.06 0.00 0.00 59.70 57.24 1tnp h MET 28 Cb 1.14 -0.21 -0.21 0.00 0.06 0.00 0.00 31.60 32.39 1tnp h MET 28 CO 0.07 0.61 -0.06 1.19 1.06 0.00 0.00 176.91 179.78 1tnp n PHE 29 N -4.46 1.79 -3.97 -0.22 3.01 -1.15 -4.86 117.46 107.61 1tnp n PHE 29 Ca 0.10 -1.93 -0.30 0.00 1.01 0.00 0.00 57.45 56.33 1tnp n PHE 29 Cb 0.13 -0.62 -0.14 0.00 -0.01 0.00 0.00 39.48 38.84 1tnp n PHE 29 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1tnp s ASP 30 N -2.59 4.42 0.32 4.37 -1.08 -0.89 -4.75 116.67 116.46 1tnp s ASP 30 Ca 0.49 -2.81 0.06 0.00 -0.52 0.00 0.00 52.55 49.77 1tnp s ASP 30 Cb 0.43 -1.64 0.53 0.00 -1.46 0.00 0.00 42.92 40.78 1tnp s ASP 30 CO 0.01 -0.27 1.77 0.00 0.52 0.00 0.00 175.17 177.20 1tnp h ALA 31 N 6.76 1.22 -3.00 3.66 0.00 -1.84 -3.40 119.26 122.66 1tnp h ALA 31 Ca -0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1tnp h ALA 31 Cb 0.92 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1tnp h ALA 31 CO 0.65 0.52 0.00 -0.25 0.00 0.00 0.00 179.25 180.16 1tnp n ASP 32 N -4.12 0.00 0.00 0.00 8.00 -1.26 -5.06 116.55 114.10 1tnp n ASP 32 Ca -0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.49 1tnp n ASP 32 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 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 3.21 2.92 0.56 0.44 0.00 -1.26 -4.99 105.19 106.06 1tnp n GLY 33 Ca 0.00 -0.36 0.37 0.00 0.00 0.00 0.00 46.02 46.02 1tnp n GLY 33 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1tnp h GLY 34 N 0.00 0.00 0.00 -0.02 0.00 -1.97 -3.44 103.07 97.65 1tnp h GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1tnp h GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1tnp n GLY 35 N -1.77 0.85 3.19 4.60 0.00 -1.26 -5.12 105.19 105.69 1tnp n GLY 35 Ca 0.27 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1tnp n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1tnp s ASP 36 N -1.21 1.29 0.04 1.61 1.11 -1.26 -4.14 116.67 114.11 1tnp s ASP 36 Ca 0.00 -1.00 -0.12 0.00 0.18 0.00 0.00 52.55 51.61 1tnp s ASP 36 Cb 0.00 0.07 0.01 0.00 1.07 0.00 0.00 42.92 44.07 1tnp s ASP 36 CO 0.00 -0.43 0.27 0.27 1.18 0.00 0.00 175.17 176.46 1tnp s ILE 37 N -3.49 0.09 0.77 0.77 -5.25 -1.05 -4.73 121.20 108.30 1tnp s ILE 37 Ca 0.12 -0.75 -0.11 0.00 -0.99 0.00 0.00 60.65 58.93 1tnp s ILE 37 Cb 0.04 -0.92 0.06 0.00 2.95 0.00 0.00 42.46 44.59 1tnp s ILE 37 CO -0.03 -0.41 1.10 -0.55 -1.79 0.00 0.00 174.94 173.26 1tnp s SER 38 N -2.05 4.45 0.00 4.36 0.15 -1.26 -3.52 113.70 115.82 1tnp s SER 38 Ca -0.05 1.90 0.25 0.00 0.70 0.00 0.00 55.95 58.74 1tnp s SER 38 Cb -0.01 -2.53 1.27 0.00 -1.71 0.00 0.00 66.02 63.04 1tnp s SER 38 CO -0.03 -2.07 1.84 0.35 1.20 0.00 0.00 173.24 174.53 1tnp n THR 39 N -3.39 0.04 0.03 6.45 -2.24 -1.26 -3.17 114.28 110.73 1tnp n THR 39 Ca 0.10 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.60 1tnp n THR 39 Cb 0.53 -0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.52 1tnp n THR 39 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1tnp h LYS 40 N 0.82 0.22 0.00 -0.78 1.63 -2.01 -3.39 116.57 113.06 1tnp h LYS 40 Ca 0.00 -0.37 -0.16 0.00 -0.85 0.00 0.00 60.65 59.27 1tnp h LYS 40 Cb 0.18 0.14 -0.03 0.00 -0.60 0.00 0.00 32.23 31.92 1tnp h LYS 40 CO 0.00 1.04 -2.03 -0.85 -3.45 0.00 0.00 179.45 174.16 1tnp n GLU 41 N -3.39 0.86 -0.35 1.90 0.00 -1.25 -4.57 120.64 113.83 1tnp n GLU 41 Ca -0.22 -0.09 0.10 0.00 0.00 0.00 0.00 57.16 56.94 1tnp n GLU 41 Cb 1.05 -1.45 0.20 0.00 0.00 0.00 0.00 31.44 31.24 1tnp n GLU 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 1tnp h LEU 42 N 0.00 -0.76 -0.16 -1.84 5.85 -1.74 0.33 115.31 116.99 1tnp h LEU 42 Ca -0.24 0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 1tnp h LEU 42 Cb 1.48 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 43.07 1tnp h LEU 42 CO 0.01 -0.34 0.05 1.23 -0.34 0.00 0.00 178.44 179.05 1tnp h GLY 43 N 0.00 0.27 -0.01 3.75 0.00 -1.82 -1.80 103.07 103.46 1tnp h GLY 43 Ca 0.53 -0.16 0.20 0.00 0.00 0.00 0.00 47.33 47.90 1tnp h GLY 43 CO -0.99 0.15 0.82 -0.84 0.00 0.00 0.00 176.54 175.67 1tnp h THR 44 N 0.09 0.17 0.04 4.70 2.02 -0.62 0.41 112.91 119.71 1tnp h THR 44 Ca 0.05 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.23 1tnp h THR 44 Cb 0.21 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1tnp h THR 44 CO -0.00 0.00 -0.02 0.58 0.37 0.00 0.00 175.52 176.45 1tnp h VAL 45 N 0.00 1.36 -1.06 3.16 2.07 -0.59 -0.96 116.25 120.24 1tnp h VAL 45 Ca 0.32 -1.68 0.31 0.00 0.82 0.00 0.00 66.70 66.47 1tnp h VAL 45 Cb 1.95 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 34.10 1tnp h VAL 45 CO -0.00 0.40 0.76 0.24 0.02 0.00 0.00 177.57 178.99 1tnp h MET 46 N -0.84 0.00 0.00 1.57 2.86 0.02 -0.80 114.93 117.74 1tnp h MET 46 Ca -0.00 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 57.28 1tnp h MET 46 Cb 0.70 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.29 1tnp h MET 46 CO 0.01 0.00 -2.29 -2.13 1.06 0.00 0.00 176.91 173.56 1tnp n ARG 47 N -4.21 0.68 0.00 1.72 0.63 -0.93 -4.31 116.66 110.23 1tnp n ARG 47 Ca 0.22 0.05 0.11 0.00 -0.92 0.00 0.00 57.85 57.31 1tnp n ARG 47 Cb 1.12 -1.56 0.63 0.00 0.45 0.00 0.00 32.46 33.10 1tnp n ARG 47 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1tnp n MET 48 N -2.84 0.76 0.00 -0.14 2.81 -0.32 -1.89 117.12 115.49 1tnp n MET 48 Ca -0.31 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.46 1tnp n MET 48 Cb 1.13 -1.44 -0.14 0.00 -0.71 0.00 0.00 33.22 32.06 1tnp n MET 48 CO 0.00 0.00 0.00 -0.07 1.51 0.00 0.00 175.97 177.41 1tnp h LEU 49 N 0.00 0.13 0.00 4.03 3.38 -1.70 -3.49 115.31 117.66 1tnp h LEU 49 Ca 0.00 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1tnp h LEU 49 Cb 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1tnp h LEU 49 CO 0.00 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.35 1tnp n GLY 50 N 1.63 0.42 3.83 0.83 0.00 -0.79 -5.18 105.19 105.92 1tnp n GLY 50 Ca -0.18 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.60 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 2.32 -0.15 1.61 2.00 -1.13 -5.08 119.66 119.23 1tnp s GLN 51 Ca 0.00 -1.84 0.13 0.00 -2.00 0.00 0.00 55.36 51.65 1tnp s GLN 51 Cb 0.00 -2.11 -0.18 0.00 0.80 0.00 0.00 33.01 31.51 1tnp s GLN 51 CO 0.00 -0.31 0.04 0.27 -0.50 0.00 0.00 175.29 174.79 1tnp n ASN 52 N -1.50 1.34 -4.47 6.67 0.23 -1.26 -4.91 115.26 111.36 1tnp n ASN 52 Ca -0.01 -0.01 -0.48 0.00 -0.53 0.00 0.00 54.58 53.56 1tnp n ASN 52 Cb 0.64 0.81 -0.03 0.00 -2.08 0.00 0.00 39.78 39.11 1tnp n ASN 52 CO 0.00 0.00 0.00 -2.65 -0.93 0.00 0.00 177.26 173.68 1tnp n PRO 53 N -2.59 0.45 0.00 -0.53 -0.02 -1.26 -4.99 135.00 126.05 1tnp n PRO 53 Ca -0.25 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1tnp n PRO 53 Cb 0.99 -1.34 0.00 0.00 -0.02 0.00 0.00 33.50 33.13 1tnp n PRO 53 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1tnp n THR 54 N 0.32 0.00 0.07 3.45 5.66 -1.26 -4.96 114.28 117.55 1tnp n THR 54 Ca 0.16 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.93 1tnp n THR 54 Cb 0.25 -1.33 -0.15 0.00 -1.55 0.00 0.00 70.33 67.55 1tnp n THR 54 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 175.07 172.09 1tnp h LYS 55 N 0.00 0.38 -0.32 1.09 5.09 -2.00 -3.19 116.57 117.64 1tnp h LYS 55 Ca 0.00 -0.66 -0.07 0.00 0.09 0.00 0.00 60.65 60.01 1tnp h LYS 55 Cb 0.00 0.24 -0.02 0.00 0.10 0.00 0.00 32.23 32.56 1tnp h LYS 55 CO 0.00 1.31 -0.11 1.49 -2.09 0.00 0.00 179.45 180.05 1tnp h GLU 56 N 0.09 0.54 -0.20 0.07 4.81 -2.01 -1.95 114.58 115.93 1tnp h GLU 56 Ca -0.35 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.57 1tnp h GLU 56 Cb 2.09 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 31.40 1tnp h GLU 56 CO 0.17 0.65 -0.51 0.93 -0.73 0.00 0.00 179.01 179.52 1tnp h GLU 57 N 0.50 0.57 -0.66 1.92 5.08 -1.96 -2.93 114.58 117.10 1tnp h GLU 57 Ca 0.09 -0.34 0.06 0.00 -1.00 0.00 0.00 59.36 58.17 1tnp h GLU 57 Cb 0.50 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 1tnp h GLU 57 CO 0.03 0.95 0.43 1.25 -1.00 0.00 0.00 179.01 180.67 1tnp h LEU 58 N 0.45 0.60 -0.99 1.33 6.46 -1.34 -1.24 115.31 120.58 1tnp h LEU 58 Ca 0.02 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 57.67 1tnp h LEU 58 Cb 1.05 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.84 1tnp h LEU 58 CO 0.10 0.39 -0.47 -0.78 -0.62 0.00 0.00 178.44 177.06 1tnp h ASP 59 N 0.68 0.09 0.22 1.25 3.58 -1.29 -2.78 116.42 118.17 1tnp h ASP 59 Ca 0.28 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1tnp h ASP 59 Cb 0.23 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.26 1tnp h ASP 59 CO -0.09 0.55 -0.11 0.00 -2.88 0.00 0.00 179.24 176.71 1tnp h ALA 60 N 1.46 -0.30 -1.00 -0.78 0.00 -1.23 -2.53 119.26 114.88 1tnp h ALA 60 Ca 0.00 -0.13 0.21 0.00 0.00 0.00 0.00 54.91 54.99 1tnp h ALA 60 Cb 0.86 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.66 1tnp h ALA 60 CO 0.06 -0.58 0.62 0.82 0.00 0.00 0.00 179.25 180.17 1tnp h ILE 61 N -0.47 0.65 -0.45 0.00 5.03 -1.32 0.35 117.51 121.29 1tnp h ILE 61 Ca -0.03 -0.22 -0.07 0.00 -0.12 0.00 0.00 64.86 64.42 1tnp h ILE 61 Cb 0.36 -0.06 -0.02 0.00 -3.03 0.00 0.00 36.82 34.08 1tnp h ILE 61 CO 0.05 0.12 0.02 -0.29 -0.68 0.00 0.00 178.15 177.37 1tnp h ILE 62 N 0.65 1.26 -0.91 -0.67 6.09 -1.30 -2.74 117.51 119.89 1tnp h ILE 62 Ca 0.58 -1.01 -0.01 0.00 -1.37 0.00 0.00 64.86 63.05 1tnp h ILE 62 Cb 1.06 1.02 -0.04 0.00 0.47 0.00 0.00 36.82 39.32 1tnp h ILE 62 CO -0.36 0.35 0.55 -0.08 -3.07 0.00 0.00 178.15 175.53 1tnp h GLU 63 N 0.64 1.24 -0.12 2.19 4.57 -0.50 -2.40 114.58 120.19 1tnp h GLU 63 Ca 0.13 -0.11 -0.05 0.00 -1.18 0.00 0.00 59.36 58.15 1tnp h GLU 63 Cb 0.47 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1tnp h GLU 63 CO 0.02 0.86 -0.12 1.49 -1.18 0.00 0.00 179.01 180.09 1tnp h GLU 64 N 1.26 0.28 -0.39 1.92 4.81 -1.28 -3.17 114.58 118.01 1tnp h GLU 64 Ca 0.33 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1tnp h GLU 64 Cb -0.05 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1tnp h GLU 64 CO -0.06 0.69 0.01 -0.39 -0.73 0.00 0.00 179.01 178.53 1tnp h VAL 65 N -0.11 1.21 -1.93 0.32 -1.51 -1.36 -3.08 116.25 109.78 1tnp h VAL 65 Ca 0.02 -0.84 -0.71 0.00 -1.23 0.00 0.00 66.70 63.94 1tnp h VAL 65 Cb 0.64 0.91 -0.32 0.00 -2.13 0.00 0.00 31.29 30.39 1tnp h VAL 65 CO 0.03 0.29 0.44 -0.67 -1.23 0.00 0.00 177.57 176.43 1tnp n ASP 66 N -4.26 6.51 -0.03 4.19 2.03 -0.92 -4.67 116.55 119.41 1tnp n ASP 66 Ca 0.02 -3.77 -0.16 0.00 0.52 0.00 0.00 54.79 51.39 1tnp n ASP 66 Cb 0.26 -0.88 -0.08 0.00 -0.72 0.00 0.00 41.12 39.69 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1tnp h GLU 67 N 3.06 0.55 -2.66 -0.67 4.57 -1.52 -3.46 114.58 114.45 1tnp h GLU 67 Ca 0.46 -0.45 -0.11 0.00 -1.18 0.00 0.00 59.36 58.08 1tnp h GLU 67 Cb 0.34 0.09 -0.25 0.00 -0.16 0.00 0.00 28.75 28.78 1tnp h GLU 67 CO 1.19 1.07 -0.25 0.16 -1.18 0.00 0.00 179.01 180.01 1tnp s ASP 68 N -6.72 -0.49 0.13 1.04 -4.77 -1.26 -5.14 116.67 99.46 1tnp s ASP 68 Ca -0.12 0.89 0.00 0.00 -3.30 0.00 0.00 52.55 50.02 1tnp s ASP 68 Cb 0.06 0.83 0.00 0.00 -1.09 0.00 0.00 42.92 42.72 1tnp s ASP 68 CO 0.83 -0.17 0.00 0.61 0.70 0.00 0.00 175.17 177.14 1tnp n GLY 69 N 3.59 -2.96 3.25 2.12 0.00 -1.26 -5.07 105.19 104.86 1tnp n GLY 69 Ca -0.18 -1.26 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 1tnp n GLY 69 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1tnp s SER 70 N -3.92 1.96 0.00 1.61 0.15 -1.26 -4.79 113.70 107.44 1tnp s SER 70 Ca 0.00 -0.91 0.00 0.00 0.70 0.00 0.00 55.95 55.74 1tnp s SER 70 Cb 0.00 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1tnp s SER 70 CO 0.00 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1tnp n GLY 71 N 0.14 -0.52 4.03 9.45 0.00 -1.26 -5.17 105.19 111.86 1tnp n GLY 71 Ca -0.13 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.01 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 -4.00 2.08 0.03 2.61 -4.23 -1.26 -4.85 115.64 106.02 1tnp s THR 72 Ca 0.00 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1tnp s THR 72 Cb 0.00 -2.17 -0.02 0.00 1.34 0.00 0.00 72.50 71.64 1tnp s THR 72 CO 0.00 0.00 -0.07 -0.51 -0.54 0.00 0.00 174.62 173.50 1tnp s ILE 73 N -2.80 0.47 0.00 2.99 2.07 -1.23 -5.05 121.20 117.65 1tnp s ILE 73 Ca 0.64 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 1tnp s ILE 73 Cb -0.05 -0.53 0.00 0.00 0.13 0.00 0.00 42.46 42.01 1tnp s ILE 73 CO 0.41 -0.35 0.00 0.47 -1.91 0.00 0.00 174.94 173.56 1tnp n ASP 74 N 1.64 1.71 0.21 4.50 8.00 -1.26 -2.54 116.55 128.79 1tnp n ASP 74 Ca -0.22 -0.57 0.10 0.00 0.71 0.00 0.00 54.79 54.81 1tnp n ASP 74 Cb 0.55 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.86 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 0.48 0.00 0.08 1.24 3.57 -1.99 -3.02 116.94 117.30 1tnp h PHE 75 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tnp h PHE 75 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1tnp h PHE 75 CO 0.00 0.15 -0.04 0.93 -2.23 0.00 0.00 178.31 177.12 1tnp h GLU 76 N 0.00 -0.11 -0.83 1.11 3.07 -1.96 -2.35 114.58 113.51 1tnp h GLU 76 Ca -0.00 0.01 0.24 0.00 -0.50 0.00 0.00 59.36 59.11 1tnp h GLU 76 Cb 1.03 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.93 1tnp h GLU 76 CO 0.02 -0.07 0.68 0.93 -1.40 0.00 0.00 179.01 179.17 1tnp h GLU 77 N -0.15 0.00 -0.25 2.33 4.39 -1.92 -2.04 114.58 116.94 1tnp h GLU 77 Ca -0.01 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 1tnp h GLU 77 Cb 0.08 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1tnp h GLU 77 CO 0.02 0.00 -0.05 0.35 -1.16 0.00 0.00 179.01 178.17 1tnp h PHE 78 N 0.00 0.52 0.00 4.33 3.57 -1.38 -2.47 116.94 121.51 1tnp h PHE 78 Ca 0.39 -0.11 -0.08 0.00 3.53 0.00 0.00 57.97 61.70 1tnp h PHE 78 Cb 1.76 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 40.36 1tnp h PHE 78 CO 0.00 0.68 -0.39 1.37 -2.23 0.00 0.00 178.31 177.74 1tnp h LEU 79 N 0.22 0.00 -0.50 0.59 8.10 -0.83 -2.82 115.31 120.07 1tnp h LEU 79 Ca 0.06 0.00 -0.03 0.00 0.11 0.00 0.00 57.88 58.03 1tnp h LEU 79 Cb 0.50 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.70 1tnp h LEU 79 CO 0.02 0.39 0.20 0.58 -4.11 0.00 0.00 178.44 175.52 1tnp h VAL 80 N 0.00 1.21 -0.01 0.15 2.07 -1.24 -2.55 116.25 115.89 1tnp h VAL 80 Ca -0.00 -0.66 -0.18 0.00 0.82 0.00 0.00 66.70 66.67 1tnp h VAL 80 Cb 1.06 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1tnp h VAL 80 CO 0.05 0.25 -0.81 0.00 0.02 0.00 0.00 177.57 177.08 1tnp h MET 81 N 0.67 0.16 -0.37 1.57 -0.00 -1.36 -2.88 114.93 112.73 1tnp h MET 81 Ca 0.17 -0.16 -0.15 0.00 -0.00 0.00 0.00 59.70 59.56 1tnp h MET 81 Cb 0.20 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.83 1tnp h MET 81 CO -0.01 0.88 -0.35 0.52 -0.00 0.00 0.00 176.91 177.95 1tnp h MET 82 N 0.10 0.85 -0.10 -0.10 2.07 -1.35 -2.49 114.93 113.90 1tnp h MET 82 Ca -0.03 -0.42 -0.05 0.00 -2.07 0.00 0.00 59.70 57.13 1tnp h MET 82 Cb 1.41 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.14 1tnp h MET 82 CO 0.12 1.06 -0.12 -0.39 1.07 0.00 0.00 176.91 178.65 1tnp h VAL 83 N 0.70 1.37 -0.84 -2.22 -1.51 -1.49 -2.16 116.25 110.11 1tnp h VAL 83 Ca 0.07 -1.31 0.16 0.00 -1.23 0.00 0.00 66.70 64.39 1tnp h VAL 83 Cb 0.92 2.00 -0.10 0.00 -2.13 0.00 0.00 31.29 31.98 1tnp h VAL 83 CO 0.08 0.37 0.39 0.03 -1.23 0.00 0.00 177.57 177.22 1tnp h ARG 84 N -0.16 0.51 -0.01 5.19 3.08 -1.44 -1.41 114.38 120.14 1tnp h ARG 84 Ca 0.01 -0.03 -0.22 0.00 0.07 0.00 0.00 59.98 59.81 1tnp h ARG 84 Cb 0.65 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1tnp h ARG 84 CO 0.03 0.34 -0.91 1.96 -1.07 0.00 0.00 179.97 180.32 1tnp h GLN 85 N 0.53 0.39 -0.73 0.04 1.08 -1.41 -3.24 115.11 111.76 1tnp h GLN 85 Ca 0.47 -0.41 0.07 0.00 -1.45 0.00 0.00 58.65 57.33 1tnp h GLN 85 Cb 0.74 0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 28.24 1tnp h GLN 85 CO -0.41 1.08 0.48 1.98 -0.95 0.00 0.00 178.83 181.00 1tnp h MET 86 N 0.23 0.72 0.60 1.46 4.05 -0.57 -2.61 114.93 118.81 1tnp h MET 86 Ca -0.07 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.28 1tnp h MET 86 Cb 1.54 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 32.18 1tnp h MET 86 CO 0.16 0.48 -0.29 -0.22 0.23 0.00 0.00 176.91 177.27 1tnp h LYS 87 N 0.74 -0.77 -6.62 0.39 3.64 -1.54 -3.43 116.57 108.98 1tnp h LYS 87 Ca 0.32 0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 59.19 1tnp h LYS 87 Cb 0.28 0.18 0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1tnp h LYS 87 CO -0.11 -0.51 0.82 0.39 -2.27 0.00 0.00 179.45 177.76 1tnp n GLU 88 N -4.84 2.37 0.00 1.90 1.02 -0.98 -4.73 120.64 115.38 1tnp n GLU 88 Ca -0.10 0.85 0.00 0.00 -0.02 0.00 0.00 57.16 57.89 1tnp n GLU 88 Cb 0.32 -2.61 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 1tnp n GLU 88 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1tnp n ASP 89 N 2.95 0.00 -0.14 1.62 2.03 -1.26 -4.91 116.55 116.84 1tnp n ASP 89 Ca 0.14 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.60 1tnp n ASP 89 Cb 0.32 0.00 0.83 0.00 -0.72 0.00 0.00 41.12 41.55 1tnp n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28