#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnp n SER 2 N 0.00 -6.23 -2.24 0.00 3.41 -1.26 -4.89 113.62 102.41 1tnp n SER 2 Ca 0.00 -0.09 -0.30 0.00 -0.26 0.00 0.00 58.87 58.22 1tnp n SER 2 Cb 0.00 -2.93 0.11 0.00 -0.26 0.00 0.00 64.21 61.12 1tnp n SER 2 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1tnp n MET 3 N -0.72 2.45 -0.16 4.33 1.56 -1.26 -4.45 117.12 118.87 1tnp n MET 3 Ca -0.06 -3.01 0.03 0.00 -0.27 0.00 0.00 57.70 54.39 1tnp n MET 3 Cb 0.61 -2.18 0.10 0.00 2.15 0.00 0.00 33.22 33.91 1tnp n MET 3 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 1tnp n THR 4 N -0.87 0.47 -2.66 1.12 -2.24 -1.26 -4.21 114.28 104.63 1tnp n THR 4 Ca 0.58 -0.33 -0.04 0.00 -2.27 0.00 0.00 64.05 61.99 1tnp n THR 4 Cb 0.97 -0.06 -0.00 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.15 -1.19 0.06 3.42 5.75 -1.26 -4.99 116.55 118.49 1tnp n ASP 5 Ca 0.08 -1.71 -0.12 0.00 -0.01 0.00 0.00 54.79 53.02 1tnp n ASP 5 Cb 0.30 1.01 -0.13 0.00 -1.03 0.00 0.00 41.12 41.27 1tnp n ASP 5 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 1tnp h GLN 6 N 1.26 0.13 -0.98 0.11 1.08 -1.86 -3.26 115.11 111.58 1tnp h GLN 6 Ca -0.55 -0.23 0.10 0.00 -1.45 0.00 0.00 58.65 56.52 1tnp h GLN 6 Cb 1.24 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.68 1tnp h GLN 6 CO -0.19 1.03 0.62 1.96 -0.95 0.00 0.00 178.83 181.29 1tnp h GLN 7 N 0.04 1.00 -0.14 1.46 4.20 -1.93 -1.87 115.11 117.87 1tnp h GLN 7 Ca -0.13 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 1tnp h GLN 7 Cb 1.91 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 29.46 1tnp h GLN 7 CO 0.15 0.66 0.07 0.00 -0.67 0.00 0.00 178.83 179.04 1tnp h ALA 8 N 1.50 1.87 -0.38 3.87 0.00 -1.97 -2.01 119.26 122.13 1tnp h ALA 8 Ca 0.47 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 1tnp h ALA 8 Cb 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1tnp h ALA 8 CO -0.23 0.11 -0.15 1.49 0.00 0.00 0.00 179.25 180.47 1tnp h GLU 9 N 0.19 0.70 -0.36 0.00 4.81 -1.46 -2.58 114.58 115.87 1tnp h GLU 9 Ca 0.05 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.00 1tnp h GLU 9 Cb 0.02 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1tnp h GLU 9 CO -0.01 0.81 0.07 0.00 -0.73 0.00 0.00 179.01 179.15 1tnp h ALA 10 N 1.21 0.48 -0.06 2.92 0.00 -1.38 -3.03 119.26 119.41 1tnp h ALA 10 Ca 0.10 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1tnp h ALA 10 Cb 0.61 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1tnp h ALA 10 CO 0.04 0.18 -0.59 -0.09 0.00 0.00 0.00 179.25 178.78 1tnp h ARG 11 N 0.44 0.18 -0.14 0.00 2.43 -1.53 -2.89 114.38 112.87 1tnp h ARG 11 Ca 0.11 -0.12 0.04 0.00 -0.81 0.00 0.00 59.98 59.20 1tnp h ARG 11 Cb 0.34 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1tnp h ARG 11 CO 0.01 0.72 0.12 0.00 -1.51 0.00 0.00 179.97 179.30 1tnp h ALA 12 N 1.25 1.95 0.03 2.80 0.00 -1.33 -2.95 119.26 121.00 1tnp h ALA 12 Ca -0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1tnp h ALA 12 Cb 1.08 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1tnp h ALA 12 CO 0.09 -0.19 -0.35 0.35 0.00 0.00 0.00 179.25 179.15 1tnp h PHE 13 N 0.00 0.30 -3.20 0.00 3.57 -1.52 -3.45 116.94 112.64 1tnp h PHE 13 Ca 0.07 -0.18 -0.63 0.00 3.53 0.00 0.00 57.97 60.76 1tnp h PHE 13 Cb 0.30 -0.03 -0.14 0.00 2.79 0.00 0.00 35.95 38.88 1tnp h PHE 13 CO 0.00 1.04 -0.55 -0.48 -2.23 0.00 0.00 178.31 176.10 1tnp s LEU 14 N -8.32 3.94 1.27 0.59 2.34 -1.12 -5.11 118.68 112.27 1tnp s LEU 14 Ca -0.16 0.17 -0.19 0.00 0.06 0.00 0.00 54.13 54.01 1tnp s LEU 14 Cb 0.00 -1.98 0.29 0.00 -0.56 0.00 0.00 46.19 43.94 1tnp s LEU 14 CO 0.76 0.23 0.65 -0.24 -1.06 0.00 0.00 176.35 176.69 1tnp n SER 15 N 3.17 -3.50 0.08 1.48 2.88 -1.26 -4.84 113.62 111.63 1tnp n SER 15 Ca -0.17 -0.61 -0.15 0.00 -1.33 0.00 0.00 58.87 56.61 1tnp n SER 15 Cb 0.53 -0.93 -0.08 0.00 -0.75 0.00 0.00 64.21 62.98 1tnp n SER 15 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1tnp h GLU 16 N -3.17 0.40 -0.22 -1.46 5.08 -1.99 -3.34 114.58 109.88 1tnp h GLU 16 Ca -0.36 -0.49 0.06 0.00 -1.00 0.00 0.00 59.36 57.57 1tnp h GLU 16 Cb 1.11 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1tnp h GLU 16 CO 0.23 1.16 -0.31 0.93 -1.00 0.00 0.00 179.01 180.02 1tnp h GLU 17 N 0.20 -0.32 -0.28 2.33 3.07 -2.02 -0.66 114.58 116.89 1tnp h GLU 17 Ca -0.10 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.76 1tnp h GLU 17 Cb 1.70 0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 29.67 1tnp h GLU 17 CO 0.18 -0.22 0.10 0.00 -1.40 0.00 0.00 179.01 177.67 1tnp h MET 18 N -0.34 0.39 -0.79 2.33 -0.00 -1.95 -1.32 114.93 113.26 1tnp h MET 18 Ca 0.12 -0.05 0.05 0.00 -0.00 0.00 0.00 59.70 59.83 1tnp h MET 18 Cb 0.53 -0.08 -0.05 0.00 -0.00 0.00 0.00 31.60 32.00 1tnp h MET 18 CO -0.41 0.34 0.49 0.82 -0.00 0.00 0.00 176.91 178.15 1tnp h ILE 19 N 0.39 1.06 -0.97 -0.10 1.08 -1.24 -2.33 117.51 115.40 1tnp h ILE 19 Ca 0.10 -0.31 0.17 0.00 -0.39 0.00 0.00 64.86 64.43 1tnp h ILE 19 Cb 0.11 0.06 -0.10 0.00 -3.07 0.00 0.00 36.82 33.82 1tnp h ILE 19 CO -0.01 0.17 0.57 0.00 -0.69 0.00 0.00 178.15 178.19 1tnp h ALA 20 N 1.36 1.56 0.08 1.87 0.00 -0.84 -1.22 119.26 122.07 1tnp h ALA 20 Ca 0.34 0.08 -0.28 0.00 0.00 0.00 0.00 54.91 55.05 1tnp h ALA 20 Cb 0.11 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 17.84 1tnp h ALA 20 CO -0.15 -0.03 -1.15 1.49 0.00 0.00 0.00 179.25 179.41 1tnp h GLU 21 N 0.75 0.54 -0.61 0.00 4.57 -1.52 -3.29 114.58 115.03 1tnp h GLU 21 Ca 0.54 -0.69 0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1tnp h GLU 21 Cb 0.80 0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 29.50 1tnp h GLU 21 CO -0.37 1.29 -0.02 0.74 -1.18 0.00 0.00 179.01 179.48 1tnp h PHE 22 N 0.26 -0.08 -0.66 0.92 0.04 -0.86 -1.29 116.94 115.27 1tnp h PHE 22 Ca -0.15 0.05 0.09 0.00 2.80 0.00 0.00 57.97 60.75 1tnp h PHE 22 Cb 1.82 0.13 -0.07 0.00 2.20 0.00 0.00 35.95 40.03 1tnp h PHE 22 CO 0.09 -0.18 0.32 0.87 -0.60 0.00 0.00 178.31 178.81 1tnp h LYS 23 N 0.10 0.54 -0.93 1.51 1.57 -1.58 -2.04 116.57 115.74 1tnp h LYS 23 Ca 0.32 -0.03 0.19 0.00 -1.87 0.00 0.00 60.65 59.25 1tnp h LYS 23 Cb 0.51 -0.12 -0.11 0.00 0.08 0.00 0.00 32.23 32.59 1tnp h LYS 23 CO -0.54 0.35 0.51 0.00 -0.57 0.00 0.00 179.45 179.21 1tnp h ALA 24 N 1.41 1.51 -0.06 3.86 0.00 -1.36 -2.10 119.26 122.51 1tnp h ALA 24 Ca 0.32 0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.22 1tnp h ALA 24 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1tnp h ALA 24 CO -0.26 -0.14 -0.41 0.00 0.00 0.00 0.00 179.25 178.44 1tnp h ALA 25 N 1.64 0.13 -0.56 0.00 0.00 -1.39 -3.14 119.26 115.94 1tnp h ALA 25 Ca 0.54 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1tnp h ALA 25 Cb 0.88 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1tnp h ALA 25 CO -0.41 0.26 0.37 0.35 0.00 0.00 0.00 179.25 179.82 1tnp h PHE 26 N -0.10 0.50 0.04 0.00 3.57 -1.21 -1.67 116.94 118.07 1tnp h PHE 26 Ca -0.03 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.25 1tnp h PHE 26 Cb 1.08 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1tnp h PHE 26 CO 0.13 0.27 -1.00 0.22 -2.23 0.00 0.00 178.31 175.70 1tnp h ASP 27 N 0.50 0.32 -0.97 0.41 1.82 -1.52 -3.08 116.42 113.89 1tnp h ASP 27 Ca 0.25 -0.29 0.24 0.00 -0.39 0.00 0.00 57.03 56.84 1tnp h ASP 27 Cb 0.33 -0.10 -0.07 0.00 0.68 0.00 0.00 39.33 40.17 1tnp h ASP 27 CO -0.07 1.14 0.64 0.24 -1.61 0.00 0.00 179.24 179.58 1tnp h MET 28 N 0.10 0.36 0.00 0.28 2.86 -1.24 -2.91 114.93 114.38 1tnp h MET 28 Ca -0.07 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1tnp h MET 28 Cb 1.68 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 1tnp h MET 28 CO 0.16 0.24 -0.70 1.19 1.06 0.00 0.00 176.91 178.85 1tnp n PHE 29 N -4.53 0.84 -1.15 -0.22 3.72 -1.24 -4.99 117.46 109.88 1tnp n PHE 29 Ca 0.22 0.36 -0.22 0.00 -0.05 0.00 0.00 57.45 57.77 1tnp n PHE 29 Cb 0.80 -0.80 0.17 0.00 -0.94 0.00 0.00 39.48 38.72 1tnp n PHE 29 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1tnp n ASP 30 N -4.57 -1.18 -3.06 4.37 5.68 -1.10 -5.08 116.55 111.61 1tnp n ASP 30 Ca -0.12 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.06 1tnp n ASP 30 Cb 0.36 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.61 1tnp n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1tnp n ALA 31 N -4.11 0.00 -3.15 2.12 0.00 -1.26 -4.83 120.51 109.27 1tnp n ALA 31 Ca -0.15 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.84 1tnp n ALA 31 Cb 0.42 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 1tnp n ALA 31 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 1tnp s ASP 32 N -1.06 6.19 0.00 0.00 -4.77 -1.26 -4.16 116.67 111.60 1tnp s ASP 32 Ca 0.00 -1.55 0.00 0.00 -3.30 0.00 0.00 52.55 47.70 1tnp s ASP 32 Cb 0.00 -2.25 0.00 0.00 -1.09 0.00 0.00 42.92 39.58 1tnp s ASP 32 CO 0.00 -0.94 0.00 0.61 0.70 0.00 0.00 175.17 175.54 1tnp n GLY 33 N 5.25 0.86 0.00 2.12 0.00 -1.26 -5.05 105.19 107.12 1tnp n GLY 33 Ca -0.12 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.76 -1.96 0.00 -0.02 0.00 -1.26 -4.98 105.19 96.20 1tnp n GLY 34 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.07 1.26 3.20 -0.02 0.00 -1.26 -5.06 105.19 103.38 1tnp n GLY 35 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.51 0.66 0.11 1.61 -4.77 -1.26 -3.65 116.67 108.86 1tnp s ASP 36 Ca 0.00 -1.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.00 1tnp s ASP 36 Cb 0.00 0.24 -0.00 0.00 -1.09 0.00 0.00 42.92 42.07 1tnp s ASP 36 CO 0.00 -0.70 0.14 2.30 0.70 0.00 0.00 175.17 177.61 1tnp n ILE 37 N -0.21 0.00 -2.85 2.11 -5.35 -1.15 -4.89 119.36 107.02 1tnp n ILE 37 Ca -0.04 -0.62 -0.33 0.00 -0.27 0.00 0.00 62.75 61.49 1tnp n ILE 37 Cb 0.64 0.36 -0.07 0.00 -1.74 0.00 0.00 39.64 38.83 1tnp n ILE 37 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1tnp s SER 38 N -1.70 6.95 0.50 7.28 0.15 -1.26 -3.93 113.70 121.68 1tnp s SER 38 Ca 0.10 1.66 0.28 0.00 0.70 0.00 0.00 55.95 58.69 1tnp s SER 38 Cb -0.00 -2.52 1.23 0.00 -1.71 0.00 0.00 66.02 63.02 1tnp s SER 38 CO 0.07 -0.32 1.95 0.71 1.20 0.00 0.00 173.24 176.85 1tnp h THR 39 N 1.96 0.43 0.00 6.45 1.35 -1.93 -2.81 112.91 118.37 1tnp h THR 39 Ca -0.49 -0.78 -0.04 0.00 -0.55 0.00 0.00 66.41 64.55 1tnp h THR 39 Cb 1.18 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.15 1tnp h THR 39 CO 0.62 0.14 -0.19 0.50 -0.25 0.00 0.00 175.52 176.33 1tnp h LYS 40 N 0.00 0.00 0.06 4.72 3.64 -1.95 -3.36 116.57 119.67 1tnp h LYS 40 Ca -0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 1tnp h LYS 40 Cb 0.55 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1tnp h LYS 40 CO 0.02 0.19 -0.34 0.93 -2.27 0.00 0.00 179.45 177.98 1tnp h GLU 41 N 0.00 0.12 -0.99 1.90 5.08 -1.90 -3.36 114.58 115.42 1tnp h GLU 41 Ca -0.00 -0.20 0.38 0.00 -1.00 0.00 0.00 59.36 58.54 1tnp h GLU 41 Cb 1.11 0.07 -0.18 0.00 0.50 0.00 0.00 28.75 30.25 1tnp h GLU 41 CO 0.03 1.10 0.42 1.28 -1.00 0.00 0.00 179.01 180.83 1tnp n LEU 42 N -4.41 0.24 0.07 1.33 4.77 -1.24 0.31 117.00 118.07 1tnp n LEU 42 Ca -0.12 1.66 -0.09 0.00 -0.03 0.00 0.00 56.01 57.43 1tnp n LEU 42 Cb 0.62 -0.76 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1tnp n LEU 42 CO 0.40 -1.82 0.51 1.23 -1.33 0.00 0.00 177.39 176.38 1tnp h GLY 43 N 0.00 -1.18 -0.63 -0.72 0.00 -1.80 -2.88 103.07 95.86 1tnp h GLY 43 Ca 0.79 0.58 0.16 0.00 0.00 0.00 0.00 47.33 48.85 1tnp h GLY 43 CO -0.80 -0.36 -0.23 -0.84 0.00 0.00 0.00 176.54 174.30 1tnp h THR 44 N -0.42 0.17 -0.78 4.70 2.02 -0.34 -0.80 112.91 117.45 1tnp h THR 44 Ca -0.01 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.23 1tnp h THR 44 Cb 0.42 0.17 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 1tnp h THR 44 CO -0.14 0.00 0.47 -0.37 0.37 0.00 0.00 175.52 175.84 1tnp h VAL 45 N -0.02 1.01 -0.17 3.16 -1.51 -1.39 -1.70 116.25 115.63 1tnp h VAL 45 Ca 0.37 -0.29 -0.05 0.00 -1.23 0.00 0.00 66.70 65.50 1tnp h VAL 45 Cb 0.59 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 1tnp h VAL 45 CO -0.83 0.16 -0.11 0.24 -1.23 0.00 0.00 177.57 175.80 1tnp h MET 46 N 0.85 0.26 0.02 5.19 2.86 -0.93 -2.75 114.93 120.43 1tnp h MET 46 Ca 0.34 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.86 1tnp h MET 46 Cb 0.18 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1tnp h MET 46 CO -0.18 0.38 -0.27 -0.09 1.06 0.00 0.00 176.91 177.81 1tnp h ARG 47 N 0.25 0.15 0.00 1.72 2.43 -1.16 -3.22 114.38 114.55 1tnp h ARG 47 Ca 0.05 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1tnp h ARG 47 Cb 0.35 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1tnp h ARG 47 CO 0.02 0.97 0.00 -0.12 -1.51 0.00 0.00 179.97 179.33 1tnp n MET 48 N -4.48 0.83 0.06 0.20 1.56 -1.02 -1.71 117.12 112.55 1tnp n MET 48 Ca -0.10 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.27 1tnp n MET 48 Cb 0.54 -1.49 -0.10 0.00 2.15 0.00 0.00 33.22 34.32 1tnp n MET 48 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1tnp h LEU 49 N 0.00 0.00 0.00 -0.89 3.38 -1.50 -3.47 115.31 112.83 1tnp h LEU 49 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1tnp h LEU 49 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1tnp h LEU 49 CO 0.00 0.90 0.00 0.61 0.09 0.00 0.00 178.44 180.04 1tnp n GLY 50 N 1.37 0.38 1.77 0.83 0.00 -0.89 -5.13 105.19 103.52 1tnp n GLY 50 Ca -0.03 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1tnp n GLY 50 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1tnp n GLN 51 N 0.00 -0.72 -2.69 1.61 1.13 -0.70 -5.04 117.38 110.97 1tnp n GLN 51 Ca 0.00 -0.94 -0.06 0.00 -1.94 0.00 0.00 57.00 54.06 1tnp n GLN 51 Cb 0.00 -0.64 0.12 0.00 0.11 0.00 0.00 30.24 29.82 1tnp n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1tnp n ASN 52 N -3.44 -1.56 -2.79 1.08 2.85 -1.26 -4.52 115.26 105.61 1tnp n ASN 52 Ca 0.08 -2.42 0.00 0.00 -0.11 0.00 0.00 54.58 52.13 1tnp n ASN 52 Cb 0.27 0.83 0.00 0.00 1.24 0.00 0.00 39.78 42.12 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1tnp n PRO 53 N -0.77 -0.42 -3.15 1.20 -0.04 -1.26 -5.08 135.00 125.48 1tnp n PRO 53 Ca -0.05 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.22 1tnp n PRO 53 Cb 0.85 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 34.32 1tnp n PRO 53 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1tnp s THR 54 N -0.71 2.82 -0.06 0.52 2.01 -1.26 -5.06 115.64 113.91 1tnp s THR 54 Ca 0.00 -1.09 -0.06 0.00 0.31 0.00 0.00 61.69 60.86 1tnp s THR 54 Cb 0.00 -2.90 -0.28 0.00 0.01 0.00 0.00 72.50 69.33 1tnp s THR 54 CO 0.00 0.00 0.62 0.50 -0.69 0.00 0.00 174.62 175.05 1tnp h LYS 55 N 0.68 0.29 -0.30 4.92 1.63 -2.00 -3.30 116.57 118.49 1tnp h LYS 55 Ca -0.39 -0.49 -0.05 0.00 -0.85 0.00 0.00 60.65 58.86 1tnp h LYS 55 Cb 1.28 0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 33.07 1tnp h LYS 55 CO 0.48 1.16 -0.04 0.93 -3.45 0.00 0.00 179.45 178.53 1tnp h GLU 56 N 0.08 0.48 -0.08 1.90 4.39 -2.01 -2.50 114.58 116.84 1tnp h GLU 56 Ca -0.34 -0.11 -0.12 0.00 0.34 0.00 0.00 59.36 59.13 1tnp h GLU 56 Cb 2.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 30.62 1tnp h GLU 56 CO 0.14 0.54 -0.51 0.93 -1.16 0.00 0.00 179.01 178.96 1tnp h GLU 57 N 0.46 0.20 -0.17 2.33 5.08 -1.99 -2.62 114.58 117.86 1tnp h GLU 57 Ca 0.10 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1tnp h GLU 57 Cb 0.37 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1tnp h GLU 57 CO 0.02 0.66 -0.24 1.25 -1.00 0.00 0.00 179.01 179.70 1tnp h LEU 58 N 0.16 0.30 -0.56 1.33 7.12 -1.52 -2.56 115.31 119.58 1tnp h LEU 58 Ca 0.01 -0.09 -0.05 0.00 0.13 0.00 0.00 57.88 57.88 1tnp h LEU 58 Cb 0.95 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.98 1tnp h LEU 58 CO 0.08 0.55 0.16 0.44 -0.13 0.00 0.00 178.44 179.54 1tnp h ASP 59 N 0.28 0.83 -0.13 1.25 5.19 -1.34 -3.09 116.42 119.41 1tnp h ASP 59 Ca 0.04 -0.22 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 1tnp h ASP 59 Cb 0.58 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.86 1tnp h ASP 59 CO 0.04 0.83 0.07 0.00 -3.12 0.00 0.00 179.24 177.05 1tnp h ALA 60 N 1.03 0.15 -1.02 3.45 0.00 -1.35 -1.95 119.26 119.57 1tnp h ALA 60 Ca 0.18 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.35 1tnp h ALA 60 Cb 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 17.99 1tnp h ALA 60 CO -0.00 -0.38 0.67 0.82 0.00 0.00 0.00 179.25 180.36 1tnp h ILE 61 N 0.14 0.55 0.05 0.00 5.03 -1.42 -0.07 117.51 121.79 1tnp h ILE 61 Ca 0.05 -0.12 -0.00 0.00 -0.12 0.00 0.00 64.86 64.67 1tnp h ILE 61 Cb 0.00 0.16 -0.00 0.00 -3.03 0.00 0.00 36.82 33.96 1tnp h ILE 61 CO -0.03 0.06 -0.03 -0.29 -0.68 0.00 0.00 178.15 177.18 1tnp h ILE 62 N 0.35 0.93 -0.64 -0.67 2.10 -1.28 -2.30 117.51 116.00 1tnp h ILE 62 Ca 0.56 0.00 0.13 0.00 1.08 0.00 0.00 64.86 66.63 1tnp h ILE 62 Cb 1.51 0.93 -0.10 0.00 -1.09 0.00 0.00 36.82 38.07 1tnp h ILE 62 CO -0.24 0.00 0.09 -0.33 -1.08 0.00 0.00 178.15 176.59 1tnp h GLU 63 N -0.08 0.19 -0.16 2.19 5.08 -0.99 -0.87 114.58 119.95 1tnp h GLU 63 Ca -0.00 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.21 1tnp h GLU 63 Cb 0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1tnp h GLU 63 CO 0.00 0.13 -0.46 1.49 -1.00 0.00 0.00 179.01 179.17 1tnp h GLU 64 N 0.20 0.40 0.00 2.33 4.22 -1.49 -3.23 114.58 117.02 1tnp h GLU 64 Ca 0.34 -0.22 0.00 0.00 0.08 0.00 0.00 59.36 59.56 1tnp h GLU 64 Cb 0.56 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1tnp h GLU 64 CO -0.48 0.79 0.00 0.28 -2.18 0.00 0.00 179.01 177.41 1tnp n VAL 65 N -3.99 0.00 -2.52 0.32 0.31 -0.37 -4.26 118.33 107.81 1tnp n VAL 65 Ca -0.02 0.59 -0.42 0.00 -0.01 0.00 0.00 64.34 64.48 1tnp n VAL 65 Cb 0.54 -1.20 0.01 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.49 6.16 -0.04 4.52 2.03 -0.97 -4.78 116.55 122.99 1tnp n ASP 66 Ca 0.00 -3.27 -0.08 0.00 0.52 0.00 0.00 54.79 51.96 1tnp n ASP 66 Cb 0.00 -1.37 -0.02 0.00 -0.72 0.00 0.00 41.12 39.02 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1tnp h GLU 67 N 5.33 -0.14 -0.96 -0.67 5.08 -1.73 -3.43 114.58 118.06 1tnp h GLU 67 Ca 0.39 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.85 1tnp h GLU 67 Cb 0.55 0.03 -0.21 0.00 0.50 0.00 0.00 28.75 29.62 1tnp h GLU 67 CO 1.47 -0.09 -0.25 0.34 -1.00 0.00 0.00 179.01 179.48 1tnp s ASP 68 N -5.10 -1.35 0.00 1.42 2.15 -1.26 -5.11 116.67 107.42 1tnp s ASP 68 Ca -0.14 0.79 0.00 0.00 0.43 0.00 0.00 52.55 53.63 1tnp s ASP 68 Cb 0.11 2.11 0.00 0.00 -0.30 0.00 0.00 42.92 44.84 1tnp s ASP 68 CO 0.68 -0.25 0.00 0.61 -0.17 0.00 0.00 175.17 176.04 1tnp n GLY 69 N 5.43 -0.34 3.66 2.66 0.00 -1.26 -5.13 105.19 110.21 1tnp n GLY 69 Ca -0.01 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 4.89 -0.95 1.61 0.15 -1.26 -5.08 113.70 109.05 1tnp s SER 70 Ca 0.00 -0.19 -0.16 0.00 0.70 0.00 0.00 55.95 56.30 1tnp s SER 70 Cb 0.00 -1.14 0.18 0.00 -1.71 0.00 0.00 66.02 63.35 1tnp s SER 70 CO 0.00 0.20 1.06 -0.83 1.20 0.00 0.00 173.24 174.87 1tnp s GLY 71 N -2.12 2.35 0.03 9.45 0.00 -1.26 -4.81 107.32 110.96 1tnp s GLY 71 Ca 0.23 -3.13 -0.10 0.00 0.00 0.00 0.00 44.72 41.73 1tnp s GLY 71 CO 0.16 1.72 0.20 -0.51 0.00 0.00 0.00 173.10 174.66 1tnp s THR 72 N 1.37 0.10 -0.05 0.90 -4.23 -1.26 -4.53 115.64 107.93 1tnp s THR 72 Ca 0.29 -0.82 -0.12 0.00 -1.18 0.00 0.00 61.69 59.86 1tnp s THR 72 Cb -0.07 -0.80 0.02 0.00 1.34 0.00 0.00 72.50 72.99 1tnp s THR 72 CO -0.08 -0.45 0.29 -0.51 -0.54 0.00 0.00 174.62 173.33 1tnp s ILE 73 N -2.25 0.04 0.07 2.99 2.07 -1.25 -4.95 121.20 117.91 1tnp s ILE 73 Ca -0.08 -0.30 0.01 0.00 -1.41 0.00 0.00 60.65 58.87 1tnp s ILE 73 Cb -0.03 -0.52 0.01 0.00 0.13 0.00 0.00 42.46 42.05 1tnp s ILE 73 CO -0.02 -0.16 0.05 -0.90 -1.91 0.00 0.00 174.94 172.00 1tnp n ASP 74 N 1.97 1.19 0.08 4.50 5.75 -1.26 -2.93 116.55 125.85 1tnp n ASP 74 Ca -0.18 -1.24 -0.08 0.00 -0.01 0.00 0.00 54.79 53.28 1tnp n ASP 74 Cb 0.57 -0.01 -0.07 0.00 -1.03 0.00 0.00 41.12 40.58 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 1tnp h PHE 75 N 0.51 0.14 0.15 2.11 3.57 -2.00 -2.68 116.94 118.74 1tnp h PHE 75 Ca -0.04 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 1tnp h PHE 75 Cb 0.16 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.89 1tnp h PHE 75 CO 0.00 1.00 -0.07 0.93 -2.23 0.00 0.00 178.31 177.94 1tnp h GLU 76 N 0.03 -0.19 -0.51 1.11 5.08 -1.96 -2.96 114.58 115.19 1tnp h GLU 76 Ca -0.04 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1tnp h GLU 76 Cb 1.67 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.94 1tnp h GLU 76 CO 0.14 0.16 0.34 0.93 -1.00 0.00 0.00 179.01 179.58 1tnp h GLU 77 N -0.57 0.58 -0.69 2.33 4.39 -1.97 -2.48 114.58 116.16 1tnp h GLU 77 Ca -0.02 -0.03 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1tnp h GLU 77 Cb 0.44 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 28.92 1tnp h GLU 77 CO 0.03 0.38 0.46 0.35 -1.16 0.00 0.00 179.01 179.07 1tnp h PHE 78 N 0.60 0.83 -0.13 4.33 3.57 -1.31 -0.29 116.94 124.53 1tnp h PHE 78 Ca 0.20 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.56 1tnp h PHE 78 Cb 0.06 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1tnp h PHE 78 CO -0.00 0.50 -0.58 -0.07 -2.23 0.00 0.00 178.31 175.94 1tnp h LEU 79 N 0.88 0.46 -1.20 0.59 3.38 -1.32 -3.10 115.31 115.01 1tnp h LEU 79 Ca 0.27 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 1tnp h LEU 79 Cb -0.02 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1tnp h LEU 79 CO -0.07 0.94 0.30 0.58 0.09 0.00 0.00 178.44 180.29 1tnp h VAL 80 N 0.31 1.20 -0.15 1.22 2.07 -0.96 -2.28 116.25 117.66 1tnp h VAL 80 Ca -0.00 -0.54 -0.18 0.00 0.82 0.00 0.00 66.70 66.79 1tnp h VAL 80 Cb 1.10 0.40 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1tnp h VAL 80 CO 0.10 0.23 -0.66 0.24 0.02 0.00 0.00 177.57 177.50 1tnp h MET 81 N 0.86 0.57 0.59 1.57 2.86 -1.38 -2.23 114.93 117.77 1tnp h MET 81 Ca 0.22 -0.41 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 1tnp h MET 81 Cb 0.07 0.07 0.01 0.00 0.06 0.00 0.00 31.60 31.81 1tnp h MET 81 CO -0.03 1.04 -0.29 0.52 1.06 0.00 0.00 176.91 179.21 1tnp h MET 82 N 0.41 -0.77 -0.56 1.72 2.07 -1.37 -1.88 114.93 114.55 1tnp h MET 82 Ca -0.02 0.05 -0.03 0.00 -2.07 0.00 0.00 59.70 57.64 1tnp h MET 82 Cb 1.23 0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 31.11 1tnp h MET 82 CO 0.12 -0.46 0.23 0.28 1.07 0.00 0.00 176.91 178.15 1tnp h VAL 83 N -0.97 1.20 -0.77 -2.22 2.07 -1.60 -2.06 116.25 111.90 1tnp h VAL 83 Ca -0.08 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 66.89 1tnp h VAL 83 Cb 0.66 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1tnp h VAL 83 CO 0.13 0.25 0.50 -0.09 0.02 0.00 0.00 177.57 178.38 1tnp h ARG 84 N 0.80 0.76 0.04 1.57 2.43 -1.19 -2.57 114.38 116.20 1tnp h ARG 84 Ca 0.19 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.13 1tnp h ARG 84 Cb 0.15 -0.17 0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1tnp h ARG 84 CO -0.02 0.50 -0.73 0.37 -1.51 0.00 0.00 179.97 178.58 1tnp h GLN 85 N 0.78 0.43 -0.58 0.20 5.75 -0.64 -3.16 115.11 117.89 1tnp h GLN 85 Ca 0.34 -0.51 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1tnp h GLN 85 Cb 0.31 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1tnp h GLN 85 CO -0.12 1.17 0.33 0.52 -2.65 0.00 0.00 178.83 178.09 1tnp h MET 86 N -0.09 0.79 -0.29 1.69 2.86 -1.19 -1.96 114.93 116.74 1tnp h MET 86 Ca -0.10 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.42 1tnp h MET 86 Cb 1.46 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.95 1tnp h MET 86 CO 0.14 0.57 -0.00 0.87 1.06 0.00 0.00 176.91 179.55 1tnp h LYS 87 N 0.80 0.52 -5.56 1.72 1.79 -1.54 -3.49 116.57 110.82 1tnp h LYS 87 Ca 0.21 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.46 1tnp h LYS 87 Cb -0.00 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1tnp h LYS 87 CO -0.04 0.67 -0.84 -1.91 -1.08 0.00 0.00 179.45 176.25 1tnp n GLU 88 N -4.58 -2.44 -3.68 3.15 2.13 -0.74 -5.01 120.64 109.48 1tnp n GLU 88 Ca -0.03 2.09 -0.29 0.00 0.66 0.00 0.00 57.16 59.59 1tnp n GLU 88 Cb 0.26 -4.44 -0.13 0.00 0.27 0.00 0.00 31.44 27.40 1tnp n GLU 88 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1tnp s ASP 89 N -1.89 3.51 0.00 4.31 2.15 -1.26 -5.14 116.67 118.35 1tnp s ASP 89 Ca 0.15 -2.65 0.16 0.00 0.43 0.00 0.00 52.55 50.63 1tnp s ASP 89 Cb -0.03 -0.96 0.12 0.00 -0.30 0.00 0.00 42.92 41.75 1tnp s ASP 89 CO 0.69 -0.26 0.99 0.00 -0.17 0.00 0.00 175.17 176.42