#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 -3.21 -2.42 0.00 2.88 -1.26 -5.02 113.62 104.59 1tnp n SER 2 Ca 0.00 -0.02 -0.11 0.00 -1.33 0.00 0.00 58.87 57.41 1tnp n SER 2 Cb 0.00 -1.88 0.04 0.00 -0.75 0.00 0.00 64.21 61.61 1tnp n SER 2 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 1tnp n MET 3 N -1.20 2.56 -0.32 -1.46 2.00 -1.26 -4.86 117.12 112.57 1tnp n MET 3 Ca -0.00 -3.78 0.32 0.00 0.00 0.00 0.00 57.70 54.24 1tnp n MET 3 Cb 0.50 -1.89 0.70 0.00 0.00 0.00 0.00 33.22 32.53 1tnp n MET 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1tnp h THR 4 N 4.02 0.43 -0.00 2.03 1.03 -2.08 -3.32 112.91 115.02 1tnp h THR 4 Ca 0.09 -0.03 -0.13 0.00 -0.01 0.00 0.00 66.41 66.33 1tnp h THR 4 Cb 1.40 0.33 -0.13 0.00 -1.07 0.00 0.00 68.15 68.67 1tnp h THR 4 CO 0.44 0.02 -0.22 -0.90 -0.01 0.00 0.00 175.52 174.84 1tnp n ASP 5 N -4.29 -1.95 0.24 0.00 5.68 -1.26 -5.00 116.55 109.97 1tnp n ASP 5 Ca 0.26 -2.40 0.07 0.00 -0.50 0.00 0.00 54.79 52.23 1tnp n ASP 5 Cb 1.17 1.16 0.61 0.00 -1.14 0.00 0.00 41.12 42.92 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 3.50 0.03 -0.45 0.11 3.07 -1.90 -2.99 115.11 116.48 1tnp h GLN 6 Ca -0.20 -0.00 0.08 0.00 0.09 0.00 0.00 58.65 58.62 1tnp h GLN 6 Cb 1.14 -0.01 -0.10 0.00 0.08 0.00 0.00 27.48 28.59 1tnp h GLN 6 CO 0.02 0.04 -0.39 -0.56 0.09 0.00 0.00 178.83 178.03 1tnp h GLN 7 N 0.04 -0.26 -0.32 0.06 3.07 -1.92 -1.04 115.11 114.74 1tnp h GLN 7 Ca 0.01 0.02 -0.05 0.00 0.09 0.00 0.00 58.65 58.72 1tnp h GLN 7 Cb 0.03 0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 1tnp h GLN 7 CO 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 178.83 178.72 1tnp h ALA 8 N 0.61 1.38 -0.35 0.06 0.00 -1.90 -2.49 119.26 116.56 1tnp h ALA 8 Ca 0.16 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tnp h ALA 8 Cb 0.57 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1tnp h ALA 8 CO -0.60 0.43 0.17 0.93 0.00 0.00 0.00 179.25 180.19 1tnp h GLU 9 N 0.47 0.48 -0.43 0.00 4.39 -1.26 -2.72 114.58 115.51 1tnp h GLU 9 Ca 0.10 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 1tnp h GLU 9 Cb 0.34 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1tnp h GLU 9 CO 0.01 0.37 0.20 0.00 -1.16 0.00 0.00 179.01 178.43 1tnp h ALA 10 N 1.71 0.55 -0.09 3.43 0.00 -0.96 -2.80 119.26 121.10 1tnp h ALA 10 Ca 0.12 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1tnp h ALA 10 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1tnp h ALA 10 CO -0.02 0.13 -0.51 0.07 0.00 0.00 0.00 179.25 178.92 1tnp h ARG 11 N 0.55 0.24 -1.12 0.00 0.11 -1.59 -2.82 114.38 109.75 1tnp h ARG 11 Ca 0.15 -0.14 0.31 0.00 0.10 0.00 0.00 59.98 60.40 1tnp h ARG 11 Cb 0.14 0.01 -0.07 0.00 1.11 0.00 0.00 29.97 31.16 1tnp h ARG 11 CO -0.02 0.70 0.77 0.00 0.10 0.00 0.00 179.97 181.52 1tnp h ALA 12 N 1.28 2.71 0.77 0.08 0.00 -1.21 -2.56 119.26 120.33 1tnp h ALA 12 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1tnp h ALA 12 Cb 0.96 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.83 1tnp h ALA 12 CO 0.08 -1.09 -0.37 0.35 0.00 0.00 0.00 179.25 178.21 1tnp h PHE 13 N 0.17 -0.96 -4.49 0.00 3.57 -1.55 -3.45 116.94 110.23 1tnp h PHE 13 Ca 0.59 -0.02 -0.38 0.00 3.53 0.00 0.00 57.97 61.68 1tnp h PHE 13 Cb 1.94 0.32 0.11 0.00 2.79 0.00 0.00 35.95 41.10 1tnp h PHE 13 CO -0.00 -0.60 0.21 1.47 -2.23 0.00 0.00 178.31 177.16 1tnp n LEU 14 N -5.25 0.00 -4.93 0.59 -0.00 -0.97 -5.13 117.00 101.31 1tnp n LEU 14 Ca -0.13 -1.56 -0.22 0.00 -0.00 0.00 0.00 56.01 54.11 1tnp n LEU 14 Cb 0.41 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.14 1tnp n LEU 14 CO 0.31 -1.09 0.10 -0.55 -0.00 0.00 0.00 177.39 176.17 1tnp s SER 15 N -4.76 5.01 0.34 1.45 0.15 -1.26 -4.94 113.70 109.69 1tnp s SER 15 Ca 0.60 -0.87 0.02 0.00 0.70 0.00 0.00 55.95 56.39 1tnp s SER 15 Cb -0.03 -0.12 0.61 0.00 -1.71 0.00 0.00 66.02 64.77 1tnp s SER 15 CO 0.41 -0.94 1.99 -0.33 1.20 0.00 0.00 173.24 175.57 1tnp h GLU 16 N 0.73 0.88 0.27 5.44 5.08 -2.00 -2.64 114.58 122.32 1tnp h GLU 16 Ca -0.37 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 1tnp h GLU 16 Cb 1.28 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1tnp h GLU 16 CO 0.52 0.58 -0.13 1.49 -1.00 0.00 0.00 179.01 180.48 1tnp h GLU 17 N 0.90 -0.34 -0.52 2.33 4.81 -2.02 -2.89 114.58 116.86 1tnp h GLU 17 Ca 0.26 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.53 1tnp h GLU 17 Cb -0.04 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1tnp h GLU 17 CO -0.07 -0.09 0.34 1.98 -0.73 0.00 0.00 179.01 180.45 1tnp h MET 18 N -0.57 0.63 -0.46 1.92 4.05 -1.93 -1.66 114.93 116.91 1tnp h MET 18 Ca -0.04 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.39 1tnp h MET 18 Cb 0.42 -0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1tnp h MET 18 CO 0.06 0.42 0.21 0.82 0.23 0.00 0.00 176.91 178.65 1tnp h ILE 19 N 0.65 0.93 -0.89 1.77 2.04 -1.27 -2.07 117.51 118.67 1tnp h ILE 19 Ca 0.20 -0.14 0.22 0.00 1.00 0.00 0.00 64.86 66.14 1tnp h ILE 19 Cb -0.00 0.48 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 1tnp h ILE 19 CO -0.05 0.08 0.60 0.00 0.00 0.00 0.00 178.15 178.78 1tnp h ALA 20 N 1.26 2.40 -0.04 1.87 0.00 -1.14 -1.06 119.26 122.55 1tnp h ALA 20 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.93 1tnp h ALA 20 Cb 0.14 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1tnp h ALA 20 CO -0.17 -0.67 -0.71 1.49 0.00 0.00 0.00 179.25 179.19 1tnp h GLU 21 N 0.27 0.56 0.03 0.00 4.81 -1.45 -2.95 114.58 115.85 1tnp h GLU 21 Ca 0.45 -0.54 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1tnp h GLU 21 Cb 1.32 0.14 -0.03 0.00 0.63 0.00 0.00 28.75 30.82 1tnp h GLU 21 CO -0.13 1.17 -0.16 0.74 -0.73 0.00 0.00 179.01 179.90 1tnp h PHE 22 N 0.15 -0.43 0.00 0.92 0.04 -1.10 -2.19 116.94 114.33 1tnp h PHE 22 Ca -0.08 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.66 1tnp h PHE 22 Cb 1.38 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 1tnp h PHE 22 CO 0.12 -0.24 -0.21 1.57 -0.60 0.00 0.00 178.31 178.94 1tnp h LYS 23 N -0.29 0.00 -0.63 1.51 2.10 -1.59 -2.68 116.57 114.99 1tnp h LYS 23 Ca 0.04 0.00 0.13 0.00 -2.00 0.00 0.00 60.65 58.83 1tnp h LYS 23 Cb 0.34 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.56 1tnp h LYS 23 CO -0.14 0.21 -0.02 0.00 -2.00 0.00 0.00 179.45 177.51 1tnp h ALA 24 N 1.79 0.60 0.08 0.07 0.00 -1.20 -2.06 119.26 118.53 1tnp h ALA 24 Ca -0.00 0.20 -0.26 0.00 0.00 0.00 0.00 54.91 54.85 1tnp h ALA 24 Cb 0.38 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tnp h ALA 24 CO 0.03 -0.40 -1.24 0.00 0.00 0.00 0.00 179.25 177.64 1tnp h ALA 25 N 1.59 0.24 -0.68 0.00 0.00 -1.50 -3.21 119.26 115.69 1tnp h ALA 25 Ca 0.33 -0.96 0.14 0.00 0.00 0.00 0.00 54.91 54.41 1tnp h ALA 25 Cb 0.54 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1tnp h ALA 25 CO -0.56 1.12 0.46 0.35 0.00 0.00 0.00 179.25 180.62 1tnp h PHE 26 N 0.05 0.39 0.03 0.00 3.57 -1.24 -1.90 116.94 117.82 1tnp h PHE 26 Ca -0.12 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.17 1tnp h PHE 26 Cb 1.92 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1tnp h PHE 26 CO 0.04 0.16 -0.99 -0.44 -2.23 0.00 0.00 178.31 174.85 1tnp h ASP 27 N 0.34 0.21 -1.03 0.41 3.32 -1.40 -2.58 116.42 115.68 1tnp h ASP 27 Ca 0.33 -0.19 0.27 0.00 0.02 0.00 0.00 57.03 57.45 1tnp h ASP 27 Cb 0.81 -0.07 -0.08 0.00 0.22 0.00 0.00 39.33 40.21 1tnp h ASP 27 CO -0.09 1.07 0.69 0.24 -1.72 0.00 0.00 179.24 179.43 1tnp h MET 28 N 0.06 0.30 0.03 3.56 2.86 -1.40 -0.04 114.93 120.30 1tnp h MET 28 Ca -0.05 -0.02 -0.37 0.00 -2.06 0.00 0.00 59.70 57.20 1tnp h MET 28 Cb 1.68 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 33.22 1tnp h MET 28 CO 0.15 0.20 -2.27 1.19 1.06 0.00 0.00 176.91 177.23 1tnp n PHE 29 N -4.51 0.39 -2.84 -0.22 3.01 -1.23 -4.74 117.46 107.32 1tnp n PHE 29 Ca 0.24 0.10 -0.43 0.00 1.01 0.00 0.00 57.45 58.37 1tnp n PHE 29 Cb 0.92 -1.06 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 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 -6.37 6.61 0.00 4.37 2.15 -0.03 -4.92 116.67 118.48 1tnp s ASP 30 Ca -0.24 -1.93 0.00 0.00 0.43 0.00 0.00 52.55 50.82 1tnp s ASP 30 Cb 0.08 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1tnp s ASP 30 CO 0.71 -1.16 0.72 0.00 -0.17 0.00 0.00 175.17 175.27 1tnp n ALA 31 N 7.07 -0.22 -3.41 3.66 0.00 -1.24 -4.60 120.51 121.78 1tnp n ALA 31 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.51 1tnp n ALA 31 Cb 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.85 1tnp n ALA 31 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1tnp s ASP 32 N -2.00 1.84 0.00 0.00 -1.08 -1.26 -5.06 116.67 109.10 1tnp s ASP 32 Ca 0.00 -1.15 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 1tnp s ASP 32 Cb 0.00 0.36 0.00 0.00 -1.46 0.00 0.00 42.92 41.82 1tnp s ASP 32 CO 0.00 -0.35 0.00 0.61 0.52 0.00 0.00 175.17 175.95 1tnp n GLY 33 N 4.92 0.58 0.00 2.66 0.00 -1.26 -5.11 105.19 106.98 1tnp n GLY 33 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 1.18 -1.33 3.65 -0.02 0.00 -1.26 -5.01 105.19 102.41 1tnp n GLY 34 Ca 0.00 0.64 -0.29 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 -0.92 3.45 -0.02 0.00 -1.26 -5.01 105.19 101.42 1tnp n GLY 35 Ca 0.00 0.43 -0.16 0.00 0.00 0.00 0.00 46.02 46.29 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 -3.57 -0.54 0.21 1.61 1.47 -1.26 -3.69 116.67 110.91 1tnp s ASP 36 Ca 0.42 0.51 -0.09 0.00 1.18 0.00 0.00 52.55 54.56 1tnp s ASP 36 Cb -0.14 0.49 -0.01 0.00 -0.34 0.00 0.00 42.92 42.92 1tnp s ASP 36 CO 0.85 -0.60 0.35 0.27 0.68 0.00 0.00 175.17 176.71 1tnp s ILE 37 N -1.45 0.02 0.68 2.11 -5.25 -1.14 -4.76 121.20 111.41 1tnp s ILE 37 Ca -0.10 -1.50 -0.17 0.00 -0.99 0.00 0.00 60.65 57.88 1tnp s ILE 37 Cb -0.01 -2.14 0.00 0.00 2.95 0.00 0.00 42.46 43.27 1tnp s ILE 37 CO 0.07 -0.09 1.15 -0.24 -1.79 0.00 0.00 174.94 174.04 1tnp n SER 38 N -0.31 1.34 0.05 4.36 2.88 -1.26 -3.28 113.62 117.40 1tnp n SER 38 Ca -0.03 0.75 -0.11 0.00 -1.33 0.00 0.00 58.87 58.15 1tnp n SER 38 Cb 0.63 -1.49 -0.13 0.00 -0.75 0.00 0.00 64.21 62.47 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 0.11 1.37 -0.31 2.46 1.03 -1.92 -3.11 112.91 112.54 1tnp h THR 39 Ca -0.49 -3.08 -0.13 0.00 -0.01 0.00 0.00 66.41 62.70 1tnp h THR 39 Cb 1.34 2.74 -0.01 0.00 -1.07 0.00 0.00 68.15 71.15 1tnp h THR 39 CO 0.50 0.82 -0.36 0.50 -0.01 0.00 0.00 175.52 176.98 1tnp h LYS 40 N 0.02 0.70 0.00 0.00 3.64 -1.92 -3.13 116.57 115.88 1tnp h LYS 40 Ca -0.14 -0.34 -0.15 0.00 -1.27 0.00 0.00 60.65 58.75 1tnp h LYS 40 Cb 1.90 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.70 1tnp h LYS 40 CO 0.13 0.95 -0.92 0.93 -2.27 0.00 0.00 179.45 178.27 1tnp h GLU 41 N 0.58 0.00 -0.89 1.90 5.08 -1.97 -3.38 114.58 115.90 1tnp h GLU 41 Ca 0.06 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.61 1tnp h GLU 41 Cb 0.88 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.96 1tnp h GLU 41 CO 0.08 0.53 -0.17 -0.11 -1.00 0.00 0.00 179.01 178.33 1tnp n LEU 42 N -3.14 -0.28 -0.02 1.33 0.00 -1.17 0.27 117.00 113.99 1tnp n LEU 42 Ca -0.03 1.53 -0.08 0.00 0.00 0.00 0.00 56.01 57.43 1tnp n LEU 42 Cb 0.82 -0.48 -0.06 0.00 0.00 0.00 0.00 43.42 43.70 1tnp n LEU 42 CO 0.43 -1.48 0.50 1.23 0.00 0.00 0.00 177.39 178.06 1tnp h GLY 43 N 0.00 -1.33 -0.85 -3.96 0.00 -1.78 -2.48 103.07 92.68 1tnp h GLY 43 Ca 0.45 0.70 0.32 0.00 0.00 0.00 0.00 47.33 48.80 1tnp h GLY 43 CO -0.90 -0.38 0.30 -0.84 0.00 0.00 0.00 176.54 174.72 1tnp h THR 44 N -0.31 0.09 -0.02 4.70 2.02 -0.46 -0.98 112.91 117.95 1tnp h THR 44 Ca 0.02 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.21 1tnp h THR 44 Cb 0.37 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.75 1tnp h THR 44 CO -0.26 0.01 -0.27 0.58 0.37 0.00 0.00 175.52 175.95 1tnp h VAL 45 N 0.07 0.38 -0.29 3.16 2.07 -1.09 -0.30 116.25 120.25 1tnp h VAL 45 Ca 0.69 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.24 1tnp h VAL 45 Cb 1.62 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1tnp h VAL 45 CO -0.79 0.00 0.20 0.24 0.02 0.00 0.00 177.57 177.23 1tnp h MET 46 N -0.40 0.27 -0.40 1.57 2.86 -1.18 -2.11 114.93 115.53 1tnp h MET 46 Ca 0.07 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1tnp h MET 46 Cb 0.50 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 1tnp h MET 46 CO -0.25 0.18 -0.14 -0.09 1.06 0.00 0.00 176.91 177.66 1tnp h ARG 47 N 0.28 0.73 -0.58 1.72 2.43 -0.90 -2.54 114.38 115.52 1tnp h ARG 47 Ca 0.12 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1tnp h ARG 47 Cb 0.14 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1tnp h ARG 47 CO -0.02 0.84 0.00 -1.33 -1.51 0.00 0.00 179.97 177.95 1tnp n MET 48 N -4.15 1.94 -0.07 0.20 2.81 -0.80 -3.17 117.12 113.88 1tnp n MET 48 Ca 0.01 -0.94 -0.09 0.00 -1.81 0.00 0.00 57.70 54.87 1tnp n MET 48 Cb 0.38 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.32 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 0.20 1.92 0.00 4.03 4.77 -0.96 -5.02 117.00 121.94 1tnp n LEU 49 Ca 0.09 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1tnp n LEU 49 Cb 0.40 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1tnp n LEU 49 CO 0.08 0.58 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1tnp n GLY 50 N 2.61 -0.85 3.11 -0.72 0.00 -1.18 -5.15 105.19 103.01 1tnp n GLY 50 Ca -0.24 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 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 0.69 -0.37 1.61 -1.52 -1.20 -5.01 119.66 113.86 1tnp s GLN 51 Ca 0.00 -1.27 0.13 0.00 -1.95 0.00 0.00 55.36 52.27 1tnp s GLN 51 Cb 0.00 0.16 0.40 0.00 -0.22 0.00 0.00 33.01 33.34 1tnp s GLN 51 CO 0.00 -0.12 0.86 -1.71 -0.25 0.00 0.00 175.29 174.07 1tnp n ASN 52 N 0.05 1.62 -2.15 5.90 2.85 -1.26 -4.74 115.26 117.53 1tnp n ASN 52 Ca -0.12 -3.00 -0.02 0.00 -0.11 0.00 0.00 54.58 51.33 1tnp n ASN 52 Cb 0.61 -0.57 0.01 0.00 1.24 0.00 0.00 39.78 41.07 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 0.06 0.30 -3.83 1.20 -0.04 -1.26 -5.14 135.00 126.29 1tnp n PRO 53 Ca 0.20 -0.16 -0.26 0.00 -0.04 0.00 0.00 63.50 63.25 1tnp n PRO 53 Cb 0.70 -0.06 -0.00 0.00 -0.04 0.00 0.00 33.50 34.10 1tnp n PRO 53 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1tnp s THR 54 N -0.48 1.66 0.02 0.52 -4.23 -1.26 -5.07 115.64 106.81 1tnp s THR 54 Ca 0.05 -1.46 -0.05 0.00 -1.18 0.00 0.00 61.69 59.05 1tnp s THR 54 Cb -0.00 -2.12 -0.29 0.00 1.34 0.00 0.00 72.50 71.43 1tnp s THR 54 CO 0.03 0.00 0.93 0.11 -0.54 0.00 0.00 174.62 175.15 1tnp h LYS 55 N 0.70 0.29 -0.27 3.99 1.57 -2.01 -3.27 116.57 117.58 1tnp h LYS 55 Ca -0.36 -0.50 -0.13 0.00 -1.87 0.00 0.00 60.65 57.79 1tnp h LYS 55 Cb 1.30 0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.79 1tnp h LYS 55 CO 0.56 1.19 -0.38 0.93 -0.57 0.00 0.00 179.45 181.18 1tnp h GLU 56 N 0.08 0.62 -0.04 3.15 5.08 -2.02 -2.65 114.58 118.80 1tnp h GLU 56 Ca -0.22 -0.30 -0.06 0.00 -1.00 0.00 0.00 59.36 57.77 1tnp h GLU 56 Cb 2.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 1tnp h GLU 56 CO 0.19 0.90 -0.28 0.93 -1.00 0.00 0.00 179.01 179.74 1tnp h GLU 57 N 0.51 0.07 -0.51 2.33 4.39 -1.99 -2.72 114.58 116.67 1tnp h GLU 57 Ca 0.05 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.78 1tnp h GLU 57 Cb 0.88 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.48 1tnp h GLU 57 CO 0.08 0.34 0.23 1.25 -1.16 0.00 0.00 179.01 179.75 1tnp h LEU 58 N 0.06 0.29 -1.56 1.33 6.46 -1.52 -1.33 115.31 119.05 1tnp h LEU 58 Ca 0.01 0.04 -0.02 0.00 -0.12 0.00 0.00 57.88 57.79 1tnp h LEU 58 Cb 0.53 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1tnp h LEU 58 CO 0.04 0.20 -0.09 0.44 -0.62 0.00 0.00 178.44 178.41 1tnp h ASP 59 N 0.44 0.00 -0.80 1.25 5.19 -1.53 -2.57 116.42 118.40 1tnp h ASP 59 Ca 0.23 0.00 0.15 0.00 -0.62 0.00 0.00 57.03 56.79 1tnp h ASP 59 Cb 0.19 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 39.60 1tnp h ASP 59 CO -0.19 0.09 0.35 0.00 -3.12 0.00 0.00 179.24 176.37 1tnp h ALA 60 N 1.91 1.16 -0.75 3.45 0.00 -1.21 -0.18 119.26 123.65 1tnp h ALA 60 Ca -0.00 0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.12 1tnp h ALA 60 Cb 0.51 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 1tnp h ALA 60 CO 0.01 -0.18 0.38 0.82 0.00 0.00 0.00 179.25 180.28 1tnp h ILE 61 N 0.50 0.84 -0.86 0.00 2.04 -1.53 -0.66 117.51 117.83 1tnp h ILE 61 Ca 0.44 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 66.19 1tnp h ILE 61 Cb 0.68 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.84 1tnp h ILE 61 CO -0.40 0.12 0.56 0.16 0.00 0.00 0.00 178.15 178.58 1tnp h ILE 62 N 0.64 0.93 -0.26 -0.67 -0.00 -1.17 0.50 117.51 117.47 1tnp h ILE 62 Ca 0.38 -0.27 0.02 0.00 -0.00 0.00 0.00 64.86 64.98 1tnp h ILE 62 Cb 0.41 0.07 -0.02 0.00 -0.00 0.00 0.00 36.82 37.28 1tnp h ILE 62 CO -0.28 0.14 0.13 -0.08 -0.00 0.00 0.00 178.15 178.06 1tnp h GLU 63 N 0.79 0.26 -0.83 0.16 4.57 -1.00 0.90 114.58 119.43 1tnp h GLU 63 Ca 0.41 -0.02 -0.58 0.00 -1.18 0.00 0.00 59.36 57.99 1tnp h GLU 63 Cb 0.49 -0.06 -0.39 0.00 -0.16 0.00 0.00 28.75 28.63 1tnp h GLU 63 CO -0.17 0.17 -0.39 -1.91 -1.18 0.00 0.00 179.01 175.54 1tnp n GLU 64 N -4.98 3.38 0.20 1.92 2.13 0.00 -4.36 120.64 118.93 1tnp n GLU 64 Ca -0.01 -3.95 0.00 0.00 0.66 0.00 0.00 57.16 53.85 1tnp n GLU 64 Cb 0.07 -2.28 0.00 0.00 0.27 0.00 0.00 31.44 29.50 1tnp n GLU 64 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1tnp n VAL 65 N -0.76 0.00 -1.60 6.31 0.31 0.15 -4.95 118.33 117.79 1tnp n VAL 65 Ca 0.49 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.52 1tnp n VAL 65 Cb 0.89 -0.10 -0.04 0.00 -0.91 0.00 0.00 33.84 33.68 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 -3.39 6.74 0.04 4.52 -0.08 0.30 -4.55 116.55 120.13 1tnp n ASP 66 Ca 0.00 -3.33 -0.12 0.00 -1.51 0.00 0.00 54.79 49.83 1tnp n ASP 66 Cb 0.00 -1.21 -0.09 0.00 2.34 0.00 0.00 41.12 42.16 1tnp n ASP 66 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1tnp h GLU 67 N 3.08 -0.14 0.00 -0.67 5.08 -1.74 -3.44 114.58 116.74 1tnp h GLU 67 Ca 0.44 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 1tnp h GLU 67 Cb 0.57 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1tnp h GLU 67 CO 1.01 0.31 0.00 -0.40 -1.00 0.00 0.00 179.01 178.93 1tnp n ASP 68 N -4.92 0.00 -4.17 1.42 5.75 -1.26 -4.99 116.55 108.38 1tnp n ASP 68 Ca -0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.26 1tnp n ASP 68 Cb 0.26 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 1tnp n ASP 68 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1tnp n GLY 69 N 5.00 3.88 3.34 6.12 0.00 -1.26 -4.90 105.19 117.37 1tnp n GLY 69 Ca 0.00 -1.90 -0.45 0.00 0.00 0.00 0.00 46.02 43.67 1tnp n GLY 69 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1tnp s SER 70 N 2.40 7.28 0.18 1.61 0.01 -1.26 -4.86 113.70 119.05 1tnp s SER 70 Ca 0.44 -3.51 0.06 0.00 1.31 0.00 0.00 55.95 54.25 1tnp s SER 70 Cb 0.05 -2.22 0.01 0.00 0.21 0.00 0.00 66.02 64.07 1tnp s SER 70 CO 0.00 -0.32 1.40 1.23 0.41 0.00 0.00 173.24 175.96 1tnp h GLY 71 N 6.84 0.09 -3.28 3.44 0.00 -1.99 -3.46 103.07 104.70 1tnp h GLY 71 Ca 0.18 -0.16 -0.64 0.00 0.00 0.00 0.00 47.33 46.70 1tnp h GLY 71 CO 1.00 0.14 -0.82 -0.51 0.00 0.00 0.00 176.54 176.35 1tnp s THR 72 N -3.13 2.27 0.07 4.70 -4.23 -1.26 -4.20 115.64 109.86 1tnp s THR 72 Ca -0.01 -1.99 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 1tnp s THR 72 Cb 0.11 -2.07 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 1tnp s THR 72 CO 0.81 -0.12 -0.16 -0.51 -0.54 0.00 0.00 174.62 174.10 1tnp s ILE 73 N -1.65 1.24 0.43 2.99 -1.16 -1.21 -4.96 121.20 116.89 1tnp s ILE 73 Ca 0.19 -1.25 0.07 0.00 -0.51 0.00 0.00 60.65 59.15 1tnp s ILE 73 Cb -0.08 -1.15 -0.05 0.00 0.61 0.00 0.00 42.46 41.79 1tnp s ILE 73 CO 0.09 -0.11 0.16 1.51 -2.81 0.00 0.00 174.94 173.78 1tnp s ASP 74 N -1.57 4.35 0.31 4.50 -4.77 -1.26 -2.91 116.67 115.33 1tnp s ASP 74 Ca 0.01 -1.17 0.11 0.00 -3.30 0.00 0.00 52.55 48.20 1tnp s ASP 74 Cb -0.09 -0.33 0.50 0.00 -1.09 0.00 0.00 42.92 41.91 1tnp s ASP 74 CO 0.02 -0.60 1.70 0.15 0.70 0.00 0.00 175.17 177.14 1tnp h PHE 75 N 1.41 0.00 0.47 2.11 3.57 -1.95 -2.60 116.94 119.95 1tnp h PHE 75 Ca -0.43 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.05 1tnp h PHE 75 Cb 1.26 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.00 1tnp h PHE 75 CO 0.74 0.52 -0.22 0.93 -2.23 0.00 0.00 178.31 178.04 1tnp h GLU 76 N 0.00 -0.60 -0.49 1.11 4.39 -1.96 -2.57 114.58 114.45 1tnp h GLU 76 Ca -0.01 0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.78 1tnp h GLU 76 Cb 0.92 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 1tnp h GLU 76 CO 0.07 -0.33 0.33 0.93 -1.16 0.00 0.00 179.01 178.84 1tnp h GLU 77 N -0.78 0.50 -0.65 2.33 5.08 -1.94 -2.50 114.58 116.61 1tnp h GLU 77 Ca -0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1tnp h GLU 77 Cb 0.55 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1tnp h GLU 77 CO 0.11 0.33 0.40 0.35 -1.00 0.00 0.00 179.01 179.20 1tnp h PHE 78 N 0.51 0.84 -0.29 4.33 3.04 -1.17 -1.81 116.94 122.39 1tnp h PHE 78 Ca 0.20 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 1tnp h PHE 78 Cb 0.16 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.38 1tnp h PHE 78 CO -0.00 0.55 -0.14 -0.07 -2.02 0.00 0.00 178.31 176.63 1tnp h LEU 79 N 0.88 0.49 -1.25 0.59 3.38 -1.06 -2.66 115.31 115.66 1tnp h LEU 79 Ca 0.23 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1tnp h LEU 79 Cb -0.05 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1tnp h LEU 79 CO -0.05 0.66 0.30 0.58 0.09 0.00 0.00 178.44 180.02 1tnp h VAL 80 N 0.46 1.19 -0.04 1.22 2.07 -1.20 -2.84 116.25 117.10 1tnp h VAL 80 Ca 0.08 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1tnp h VAL 80 Cb 0.52 0.42 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1tnp h VAL 80 CO 0.03 0.21 -0.01 0.24 0.02 0.00 0.00 177.57 178.06 1tnp h MET 81 N 0.81 0.08 0.32 1.57 2.86 -1.24 -3.09 114.93 116.24 1tnp h MET 81 Ca 0.21 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1tnp h MET 81 Cb 0.06 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1tnp h MET 81 CO -0.03 0.45 -0.27 0.52 1.06 0.00 0.00 176.91 178.64 1tnp h MET 82 N -0.29 -0.58 -1.12 1.72 2.07 -1.48 -0.67 114.93 114.58 1tnp h MET 82 Ca 0.01 0.04 0.32 0.00 -2.07 0.00 0.00 59.70 57.99 1tnp h MET 82 Cb 0.42 0.13 -0.06 0.00 -1.87 0.00 0.00 31.60 30.23 1tnp h MET 82 CO 0.00 -0.39 0.78 0.28 1.07 0.00 0.00 176.91 178.66 1tnp h VAL 83 N -0.60 0.45 0.00 -2.22 2.07 -1.58 -1.41 116.25 112.96 1tnp h VAL 83 Ca -0.02 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1tnp h VAL 83 Cb 0.54 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1tnp h VAL 83 CO -0.02 0.02 0.00 -1.14 0.02 0.00 0.00 177.57 176.45 1tnp n ARG 84 N -4.32 0.00 0.20 1.57 3.00 -0.28 -3.23 116.66 113.61 1tnp n ARG 84 Ca 0.25 0.42 -0.08 0.00 -0.00 0.00 0.00 57.85 58.44 1tnp n ARG 84 Cb 1.12 -1.31 -0.04 0.00 0.00 0.00 0.00 32.46 32.24 1tnp n ARG 84 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.63 178.00 1tnp h GLN 85 N 0.00 -0.50 -1.56 -0.14 4.15 -1.16 -2.88 115.11 113.01 1tnp h GLN 85 Ca 0.00 0.03 0.46 0.00 0.77 0.00 0.00 58.65 59.91 1tnp h GLN 85 Cb 0.00 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 1tnp h GLN 85 CO 0.00 -0.34 1.11 1.98 -1.93 0.00 0.00 178.83 179.66 1tnp h MET 86 N -0.58 0.02 0.28 1.69 4.05 -1.48 0.38 114.93 119.29 1tnp h MET 86 Ca -0.05 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 1tnp h MET 86 Cb 0.40 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1tnp h MET 86 CO 0.09 0.01 -0.14 -0.22 0.23 0.00 0.00 176.91 176.88 1tnp h LYS 87 N 0.02 -0.37 -7.29 0.39 3.64 -1.51 -3.45 116.57 108.00 1tnp h LYS 87 Ca 0.76 0.03 -0.43 0.00 -1.27 0.00 0.00 60.65 59.74 1tnp h LYS 87 Cb 2.97 0.08 0.19 0.00 -0.41 0.00 0.00 32.23 35.06 1tnp h LYS 87 CO -0.06 -0.04 0.10 -1.21 -2.27 0.00 0.00 179.45 175.97 1tnp s GLU 88 N -3.70 -0.77 0.00 1.90 0.41 0.13 -5.03 118.70 111.64 1tnp s GLU 88 Ca -0.12 0.35 0.00 0.00 -0.41 0.00 0.00 54.97 54.79 1tnp s GLU 88 Cb 0.01 -1.61 0.00 0.00 -1.78 0.00 0.00 34.13 30.75 1tnp s GLU 88 CO 0.42 -3.50 0.00 -3.47 -0.49 0.00 0.00 175.26 168.22 1tnp n ASP 89 N -4.69 0.00 -0.18 -0.19 2.03 -1.26 -4.93 116.55 107.33 1tnp n ASP 89 Ca 0.08 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.54 1tnp n ASP 89 Cb 0.58 0.08 0.79 0.00 -0.72 0.00 0.00 41.12 41.85 1tnp n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28