#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tnp s SER 2 N 0.00 -0.57 -0.52 0.00 1.04 -1.26 -5.11 113.70 107.28 1tnp s SER 2 Ca 0.00 0.40 0.06 0.00 0.48 0.00 0.00 55.95 56.89 1tnp s SER 2 Cb 0.00 0.51 0.21 0.00 0.10 0.00 0.00 66.02 66.84 1tnp s SER 2 CO 0.00 -0.68 0.50 0.23 0.98 0.00 0.00 173.24 174.27 1tnp n MET 3 N 0.40 1.18 0.06 4.02 2.00 -1.26 -4.97 117.12 118.55 1tnp n MET 3 Ca -0.16 -3.80 0.01 0.00 0.00 0.00 0.00 57.70 53.75 1tnp n MET 3 Cb 0.60 -1.82 0.34 0.00 0.00 0.00 0.00 33.22 32.34 1tnp n MET 3 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 175.97 177.76 1tnp h THR 4 N 3.63 1.18 0.00 2.03 1.35 -2.07 -3.37 112.91 115.66 1tnp h THR 4 Ca 0.18 -0.76 -0.20 0.00 -0.55 0.00 0.00 66.41 65.08 1tnp h THR 4 Cb 0.81 1.05 -0.14 0.00 -1.73 0.00 0.00 68.15 68.15 1tnp h THR 4 CO 0.57 0.25 -0.26 -0.90 -0.25 0.00 0.00 175.52 174.93 1tnp n ASP 5 N -4.28 -1.86 0.09 5.36 5.68 -1.26 -4.97 116.55 115.30 1tnp n ASP 5 Ca 0.00 -2.65 -0.19 0.00 -0.50 0.00 0.00 54.79 51.45 1tnp n ASP 5 Cb 0.25 1.30 -0.15 0.00 -1.14 0.00 0.00 41.12 41.38 1tnp n ASP 5 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1tnp h GLN 6 N 2.19 0.34 -0.24 0.11 1.08 -1.95 -3.34 115.11 113.30 1tnp h GLN 6 Ca -0.27 -0.57 0.05 0.00 -1.45 0.00 0.00 58.65 56.40 1tnp h GLN 6 Cb 1.22 0.21 -0.05 0.00 -0.05 0.00 0.00 27.48 28.81 1tnp h GLN 6 CO -0.03 1.24 -0.12 1.96 -0.95 0.00 0.00 178.83 180.93 1tnp h GLN 7 N 0.09 -0.09 -0.02 1.46 7.50 -1.93 -1.71 115.11 120.41 1tnp h GLN 7 Ca -0.23 0.01 -0.08 0.00 0.50 0.00 0.00 58.65 58.84 1tnp h GLN 7 Cb 2.05 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 29.59 1tnp h GLN 7 CO 0.20 -0.06 -0.35 0.00 -1.50 0.00 0.00 178.83 177.12 1tnp h ALA 8 N 1.11 1.39 -0.51 3.87 0.00 -1.98 -3.01 119.26 120.12 1tnp h ALA 8 Ca 0.13 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.74 1tnp h ALA 8 Cb 0.28 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1tnp h ALA 8 CO -0.29 0.46 0.34 1.49 0.00 0.00 0.00 179.25 181.24 1tnp h GLU 9 N 0.03 0.54 0.25 0.00 4.81 -1.42 -2.69 114.58 116.10 1tnp h GLU 9 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1tnp h GLU 9 Cb 0.64 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1tnp h GLU 9 CO 0.05 0.36 -0.12 0.00 -0.73 0.00 0.00 179.01 178.57 1tnp h ALA 10 N 1.71 -0.33 -0.96 2.92 0.00 -1.51 -2.75 119.26 118.34 1tnp h ALA 10 Ca 0.21 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1tnp h ALA 10 Cb 0.12 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1tnp h ALA 10 CO -0.05 -0.48 0.59 -0.09 0.00 0.00 0.00 179.25 179.22 1tnp h ARG 11 N -0.75 1.29 0.00 0.00 2.43 -1.66 -2.17 114.38 113.53 1tnp h ARG 11 Ca -0.03 -0.11 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1tnp h ARG 11 Cb 0.50 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1tnp h ARG 11 CO 0.06 0.89 -0.43 0.00 -1.51 0.00 0.00 179.97 178.98 1tnp h ALA 12 N 1.33 1.25 0.20 2.80 0.00 -1.53 -3.09 119.26 120.21 1tnp h ALA 12 Ca 0.35 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1tnp h ALA 12 Cb -0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1tnp h ALA 12 CO -0.07 0.54 -0.10 0.35 0.00 0.00 0.00 179.25 179.97 1tnp h PHE 13 N 0.00 -0.25 -3.57 0.00 3.04 -1.08 -3.45 116.94 111.63 1tnp h PHE 13 Ca -0.00 -0.01 -0.46 0.00 3.98 0.00 0.00 57.97 61.48 1tnp h PHE 13 Cb 0.78 0.08 0.10 0.00 2.56 0.00 0.00 35.95 39.48 1tnp h PHE 13 CO 0.00 0.05 0.27 -0.51 -2.02 0.00 0.00 178.31 176.10 1tnp s LEU 14 N -9.61 2.80 0.00 0.59 1.43 -1.12 -5.12 118.68 107.66 1tnp s LEU 14 Ca -0.15 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1tnp s LEU 14 Cb 0.03 -2.70 0.00 0.00 0.03 0.00 0.00 46.19 43.55 1tnp s LEU 14 CO 0.60 -1.96 0.00 -0.24 0.23 0.00 0.00 176.35 174.98 1tnp n SER 15 N -3.14 0.00 0.07 2.29 2.88 -1.26 -4.91 113.62 109.54 1tnp n SER 15 Ca 0.11 -0.81 -0.18 0.00 -1.33 0.00 0.00 58.87 56.67 1tnp n SER 15 Cb 0.60 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.92 1tnp n SER 15 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1tnp h GLU 16 N 0.00 0.28 -0.02 -1.46 4.57 -2.00 -3.29 114.58 112.66 1tnp h GLU 16 Ca 0.00 -0.47 -0.21 0.00 -1.18 0.00 0.00 59.36 57.50 1tnp h GLU 16 Cb 0.00 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1tnp h GLU 16 CO 0.00 1.15 -0.87 0.93 -1.18 0.00 0.00 179.01 179.04 1tnp h GLU 17 N 0.08 0.38 -0.50 1.92 4.39 -2.01 -3.11 114.58 115.74 1tnp h GLU 17 Ca -0.25 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 58.99 1tnp h GLU 17 Cb 2.03 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.76 1tnp h GLU 17 CO 0.17 1.05 -0.01 1.98 -1.16 0.00 0.00 179.01 181.04 1tnp h MET 18 N 0.23 0.84 -0.36 2.33 4.05 -1.97 -2.59 114.93 117.45 1tnp h MET 18 Ca -0.06 -0.24 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1tnp h MET 18 Cb 1.49 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.18 1tnp h MET 18 CO 0.15 0.85 0.23 0.82 0.23 0.00 0.00 176.91 179.18 1tnp h ILE 19 N 0.78 1.11 -0.88 1.77 2.04 -1.61 -2.77 117.51 117.95 1tnp h ILE 19 Ca 0.15 -0.25 0.18 0.00 1.00 0.00 0.00 64.86 65.94 1tnp h ILE 19 Cb 0.49 0.62 -0.11 0.00 -0.74 0.00 0.00 36.82 37.08 1tnp h ILE 19 CO 0.02 0.11 0.44 0.00 0.00 0.00 0.00 178.15 178.73 1tnp h ALA 20 N 1.10 1.38 -0.32 1.87 0.00 -1.39 -0.82 119.26 121.09 1tnp h ALA 20 Ca 0.13 0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1tnp h ALA 20 Cb -0.01 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1tnp h ALA 20 CO -0.03 -0.18 -0.43 1.49 0.00 0.00 0.00 179.25 180.10 1tnp h GLU 21 N 0.56 0.82 -0.60 0.00 4.81 -1.50 -3.14 114.58 115.53 1tnp h GLU 21 Ca 0.51 -0.45 0.04 0.00 -0.13 0.00 0.00 59.36 59.33 1tnp h GLU 21 Cb 0.84 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.20 1tnp h GLU 21 CO -0.43 1.08 0.35 0.74 -0.73 0.00 0.00 179.01 180.03 1tnp h PHE 22 N 0.66 0.65 -0.69 0.92 -1.00 -1.01 -1.97 116.94 114.49 1tnp h PHE 22 Ca 0.04 0.02 0.10 0.00 2.81 0.00 0.00 57.97 60.95 1tnp h PHE 22 Cb 1.01 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.32 1tnp h PHE 22 CO 0.06 0.35 0.46 0.87 -1.61 0.00 0.00 178.31 178.43 1tnp h LYS 23 N 0.67 0.52 -0.06 1.51 1.57 -1.44 -2.42 116.57 116.92 1tnp h LYS 23 Ca 0.25 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1tnp h LYS 23 Cb 0.07 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1tnp h LYS 23 CO -0.13 0.35 -0.00 0.00 -0.57 0.00 0.00 179.45 179.09 1tnp h ALA 24 N 1.65 0.05 -0.14 3.86 0.00 -1.43 -2.44 119.26 120.81 1tnp h ALA 24 Ca 0.32 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.11 1tnp h ALA 24 Cb 0.53 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1tnp h ALA 24 CO -0.11 -0.48 -0.52 0.00 0.00 0.00 0.00 179.25 178.14 1tnp h ALA 25 N 1.06 0.84 -0.35 0.00 0.00 -1.51 -3.08 119.26 116.21 1tnp h ALA 25 Ca 0.03 -0.50 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1tnp h ALA 25 Cb 0.04 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1tnp h ALA 25 CO -0.05 0.68 -0.12 0.35 0.00 0.00 0.00 179.25 180.10 1tnp h PHE 26 N 0.31 0.66 0.00 0.00 3.57 -1.32 -2.47 116.94 117.69 1tnp h PHE 26 Ca 0.01 -0.11 -0.06 0.00 3.53 0.00 0.00 57.97 61.34 1tnp h PHE 26 Cb 1.03 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.58 1tnp h PHE 26 CO 0.03 0.71 -0.28 0.22 -2.23 0.00 0.00 178.31 176.76 1tnp h ASP 27 N 0.56 0.00 -0.93 0.41 1.82 -1.36 -3.14 116.42 113.78 1tnp h ASP 27 Ca 0.10 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.80 1tnp h ASP 27 Cb 0.54 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 40.49 1tnp h ASP 27 CO 0.03 0.28 0.59 -0.03 -1.61 0.00 0.00 179.24 178.50 1tnp h MET 28 N 0.00 1.05 -0.60 0.28 4.05 -1.37 -2.40 114.93 115.94 1tnp h MET 28 Ca -0.00 -0.06 -0.37 0.00 -0.28 0.00 0.00 59.70 58.99 1tnp h MET 28 Cb 0.91 -0.24 -0.22 0.00 -0.80 0.00 0.00 31.60 31.25 1tnp h MET 28 CO 0.04 0.70 0.01 1.19 0.23 0.00 0.00 176.91 179.08 1tnp n PHE 29 N -4.56 1.96 -3.64 1.39 3.72 -1.19 -4.80 117.46 110.35 1tnp n PHE 29 Ca 0.14 -1.98 -0.28 0.00 -0.05 0.00 0.00 57.45 55.27 1tnp n PHE 29 Cb 0.17 -0.67 -0.10 0.00 -0.94 0.00 0.00 39.48 37.94 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 -1.02 3.51 0.00 4.37 2.03 -0.90 -4.82 116.55 119.71 1tnp n ASP 30 Ca 0.43 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 52.41 1tnp n ASP 30 Cb 1.04 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 1tnp n ASP 30 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1tnp n ALA 31 N 1.41 -0.01 -2.87 -1.67 0.00 -1.26 -4.74 120.51 111.38 1tnp n ALA 31 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.47 1tnp n ALA 31 Cb 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1tnp n ALA 31 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1tnp n ASP 32 N -0.69 3.06 0.00 0.00 5.68 -1.26 -4.94 116.55 118.40 1tnp n ASP 32 Ca 0.00 -3.35 0.00 0.00 -0.50 0.00 0.00 54.79 50.94 1tnp n ASP 32 Cb 0.00 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 1tnp n ASP 32 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1tnp n GLY 33 N -0.12 -0.23 0.00 6.12 0.00 -1.26 -5.12 105.19 104.57 1tnp n GLY 33 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.30 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 3.00 0.11 2.18 -0.02 0.00 -1.26 -4.85 105.19 104.35 1tnp n GLY 34 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 0.04 3.45 -0.02 0.00 -1.26 -5.02 105.19 102.38 1tnp n GLY 35 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.66 -0.07 0.12 1.61 -4.77 -1.26 -3.90 116.67 105.74 1tnp s ASP 36 Ca 0.02 -0.79 -0.15 0.00 -3.30 0.00 0.00 52.55 48.33 1tnp s ASP 36 Cb -0.01 0.51 0.03 0.00 -1.09 0.00 0.00 42.92 42.36 1tnp s ASP 36 CO 0.03 -1.00 0.38 0.27 0.70 0.00 0.00 175.17 175.54 1tnp s ILE 37 N -3.96 0.08 0.53 2.11 -4.36 -1.23 -4.71 121.20 109.66 1tnp s ILE 37 Ca 0.17 -0.64 -0.22 0.00 -0.26 0.00 0.00 60.65 59.69 1tnp s ILE 37 Cb 0.01 -1.18 -0.05 0.00 1.25 0.00 0.00 42.46 42.49 1tnp s ILE 37 CO 0.02 -0.35 1.37 -0.55 0.24 0.00 0.00 174.94 175.66 1tnp s SER 38 N -2.80 5.36 0.55 4.36 0.15 -1.26 -3.62 113.70 116.44 1tnp s SER 38 Ca 0.03 2.79 0.36 0.00 0.70 0.00 0.00 55.95 59.83 1tnp s SER 38 Cb 0.02 -2.64 1.70 0.00 -1.71 0.00 0.00 66.02 63.39 1tnp s SER 38 CO -0.12 -1.52 2.08 0.00 1.20 0.00 0.00 173.24 174.88 1tnp h THR 39 N 1.58 0.00 0.00 6.45 1.03 -1.98 -2.61 112.91 117.38 1tnp h THR 39 Ca -0.51 -0.28 -0.03 0.00 -0.01 0.00 0.00 66.41 65.58 1tnp h THR 39 Cb 1.29 1.22 -0.00 0.00 -1.07 0.00 0.00 68.15 69.59 1tnp h THR 39 CO 0.58 0.00 -0.41 0.50 -0.01 0.00 0.00 175.52 176.17 1tnp h LYS 40 N 0.00 0.00 0.12 0.00 3.64 -1.97 -3.37 116.57 114.99 1tnp h LYS 40 Ca 0.00 0.00 -0.31 0.00 -1.27 0.00 0.00 60.65 59.07 1tnp h LYS 40 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1tnp h LYS 40 CO 0.00 0.11 -1.59 0.93 -2.27 0.00 0.00 179.45 176.63 1tnp h GLU 41 N 0.00 0.26 -0.92 1.90 5.08 -1.84 -3.40 114.58 115.66 1tnp h GLU 41 Ca -0.01 -0.44 0.22 0.00 -1.00 0.00 0.00 59.36 58.13 1tnp h GLU 41 Cb 1.11 0.16 -0.17 0.00 0.50 0.00 0.00 28.75 30.35 1tnp h GLU 41 CO 0.01 1.21 -0.08 1.28 -1.00 0.00 0.00 179.01 180.43 1tnp n LEU 42 N -3.81 -0.20 -0.07 1.33 4.77 -1.23 -0.51 117.00 117.28 1tnp n LEU 42 Ca -0.27 1.57 -0.10 0.00 -0.03 0.00 0.00 56.01 57.18 1tnp n LEU 42 Cb 0.95 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 1tnp n LEU 42 CO 0.42 -1.55 0.88 1.23 -1.33 0.00 0.00 177.39 177.03 1tnp h GLY 43 N 0.00 0.39 -0.55 -0.72 0.00 -1.82 -1.22 103.07 99.16 1tnp h GLY 43 Ca 0.51 -0.21 0.34 0.00 0.00 0.00 0.00 47.33 47.97 1tnp h GLY 43 CO -0.90 0.20 0.75 -0.84 0.00 0.00 0.00 176.54 175.75 1tnp h THR 44 N 0.25 0.35 -0.17 4.70 2.02 -1.03 0.16 112.91 119.19 1tnp h THR 44 Ca 0.08 -0.08 -0.21 0.00 0.77 0.00 0.00 66.41 66.97 1tnp h THR 44 Cb 0.17 0.08 0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1tnp h THR 44 CO -0.01 0.05 -0.73 0.58 0.37 0.00 0.00 175.52 175.77 1tnp h VAL 45 N 0.25 1.29 -0.36 3.16 2.07 -1.00 -2.66 116.25 118.99 1tnp h VAL 45 Ca 0.69 -1.95 0.04 0.00 0.82 0.00 0.00 66.70 66.29 1tnp h VAL 45 Cb 1.98 1.93 -0.02 0.00 -1.52 0.00 0.00 31.29 33.66 1tnp h VAL 45 CO -0.34 0.62 0.24 0.24 0.02 0.00 0.00 177.57 178.35 1tnp h MET 46 N 0.53 0.34 0.01 1.57 2.86 -0.27 -2.70 114.93 117.27 1tnp h MET 46 Ca -0.04 -0.02 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1tnp h MET 46 Cb 1.35 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 32.94 1tnp h MET 46 CO 0.15 0.22 -0.24 -0.09 1.06 0.00 0.00 176.91 178.01 1tnp h ARG 47 N 0.35 0.14 0.00 1.72 2.43 -1.22 -3.14 114.38 114.65 1tnp h ARG 47 Ca 0.15 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1tnp h ARG 47 Cb 0.17 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1tnp h ARG 47 CO -0.03 0.94 0.00 -1.33 -1.51 0.00 0.00 179.97 178.04 1tnp n MET 48 N -4.51 0.76 -0.03 0.20 0.00 -1.02 -1.89 117.12 110.63 1tnp n MET 48 Ca -0.10 0.00 -0.12 0.00 0.00 0.00 0.00 57.70 57.48 1tnp n MET 48 Cb 0.52 -1.45 -0.14 0.00 0.00 0.00 0.00 33.22 32.15 1tnp n MET 48 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1tnp n LEU 49 N -0.95 1.31 0.00 4.03 4.77 -1.03 -4.99 117.00 120.14 1tnp n LEU 49 Ca 0.16 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 1tnp n LEU 49 Cb 0.07 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1tnp n LEU 49 CO 0.12 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1tnp n GLY 50 N 1.72 0.20 3.33 -0.72 0.00 -0.79 -5.14 105.19 103.79 1tnp n GLY 50 Ca -0.24 -0.09 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 0.46 -3.07 1.61 1.13 -1.15 -5.04 117.38 111.32 1tnp n GLN 51 Ca 0.00 -3.45 -0.16 0.00 -1.94 0.00 0.00 57.00 51.45 1tnp n GLN 51 Cb 0.00 2.55 -0.01 0.00 0.11 0.00 0.00 30.24 32.89 1tnp n GLN 51 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1tnp n ASN 52 N -1.62 0.65 -2.83 1.08 3.02 -1.26 -4.56 115.26 109.74 1tnp n ASN 52 Ca 0.04 -3.01 0.00 0.00 -0.03 0.00 0.00 54.58 51.58 1tnp n ASN 52 Cb 0.62 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1tnp n PRO 53 N 0.23 0.06 -4.14 3.52 -0.04 -1.26 -5.12 135.00 128.26 1tnp n PRO 53 Ca 0.21 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.57 1tnp n PRO 53 Cb 0.69 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 34.05 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 -0.54 0.56 0.22 0.52 2.01 -1.26 -5.06 115.64 112.10 1tnp s THR 54 Ca 0.00 -1.80 0.03 0.00 0.31 0.00 0.00 61.69 60.23 1tnp s THR 54 Cb 0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1tnp s THR 54 CO 0.00 -0.84 1.54 0.07 -0.69 0.00 0.00 174.62 174.69 1tnp h LYS 55 N 3.20 0.28 -0.83 4.92 2.10 -2.00 -2.90 116.57 121.34 1tnp h LYS 55 Ca -0.35 -0.20 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1tnp h LYS 55 Cb 1.16 0.03 -0.04 0.00 -0.90 0.00 0.00 32.23 32.48 1tnp h LYS 55 CO 0.62 0.81 0.53 1.49 -2.00 0.00 0.00 179.45 180.90 1tnp h GLU 56 N 0.21 1.11 -0.04 0.07 4.81 -2.01 -2.33 114.58 116.39 1tnp h GLU 56 Ca -0.01 -0.08 -0.15 0.00 -0.13 0.00 0.00 59.36 59.00 1tnp h GLU 56 Cb 1.13 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1tnp h GLU 56 CO 0.10 0.75 -0.63 0.93 -0.73 0.00 0.00 179.01 179.43 1tnp h GLU 57 N 1.13 0.17 -0.30 1.92 4.39 -1.94 -2.79 114.58 117.17 1tnp h GLU 57 Ca 0.30 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1tnp h GLU 57 Cb -0.10 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.56 1tnp h GLU 57 CO -0.06 0.74 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.44 1tnp h LEU 58 N 0.12 0.43 -0.67 1.33 -0.00 -1.27 -2.37 115.31 112.88 1tnp h LEU 58 Ca -0.01 -0.08 -0.09 0.00 -0.00 0.00 0.00 57.88 57.70 1tnp h LEU 58 Cb 1.14 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 41.66 1tnp h LEU 58 CO 0.09 0.51 0.01 0.44 -0.00 0.00 0.00 178.44 179.49 1tnp h ASP 59 N 0.44 1.01 -0.33 -0.43 5.19 -1.26 -3.06 116.42 117.98 1tnp h ASP 59 Ca 0.10 -0.28 -0.02 0.00 -0.62 0.00 0.00 57.03 56.21 1tnp h ASP 59 Cb 0.32 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1tnp h ASP 59 CO 0.01 1.06 0.15 0.00 -3.12 0.00 0.00 179.24 177.34 1tnp h ALA 60 N 1.04 0.43 -0.96 3.45 0.00 -1.39 -2.38 119.26 119.44 1tnp h ALA 60 Ca 0.17 -0.11 0.22 0.00 0.00 0.00 0.00 54.91 55.19 1tnp h ALA 60 Cb 0.54 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 18.12 1tnp h ALA 60 CO 0.03 0.01 0.63 0.82 0.00 0.00 0.00 179.25 180.73 1tnp h ILE 61 N 0.39 0.63 -0.25 0.00 2.04 -1.40 0.49 117.51 119.42 1tnp h ILE 61 Ca 0.11 -0.15 -0.12 0.00 1.00 0.00 0.00 64.86 65.70 1tnp h ILE 61 Cb 0.15 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1tnp h ILE 61 CO -0.01 0.08 -0.31 0.40 0.00 0.00 0.00 178.15 178.30 1tnp h ILE 62 N 0.44 1.31 0.00 -0.67 2.04 -1.40 -2.49 117.51 116.74 1tnp h ILE 62 Ca 0.52 -1.50 -0.05 0.00 1.00 0.00 0.00 64.86 64.83 1tnp h ILE 62 Cb 1.27 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1tnp h ILE 62 CO -0.23 0.47 -0.23 -0.08 0.00 0.00 0.00 178.15 178.09 1tnp h GLU 63 N 0.36 0.00 0.16 2.37 4.81 -0.71 -0.47 114.58 121.10 1tnp h GLU 63 Ca 0.03 0.00 -0.34 0.00 -0.13 0.00 0.00 59.36 58.92 1tnp h GLU 63 Cb 0.89 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1tnp h GLU 63 CO 0.07 0.23 -1.73 1.49 -0.73 0.00 0.00 179.01 178.34 1tnp h GLU 64 N 0.00 0.33 0.00 1.92 4.81 -1.35 -3.27 114.58 117.02 1tnp h GLU 64 Ca -0.00 -0.57 0.00 0.00 -0.13 0.00 0.00 59.36 58.66 1tnp h GLU 64 Cb 0.43 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1tnp h GLU 64 CO 0.03 1.23 -0.22 -0.24 -0.73 0.00 0.00 179.01 179.08 1tnp h VAL 65 N 0.09 0.00 -1.34 0.32 3.04 -1.37 -3.39 116.25 113.60 1tnp h VAL 65 Ca -0.33 -0.50 -0.67 0.00 -1.01 0.00 0.00 66.70 64.19 1tnp h VAL 65 Cb 2.07 0.00 -0.17 0.00 -2.01 0.00 0.00 31.29 31.18 1tnp h VAL 65 CO 0.16 0.00 1.42 -0.67 -1.01 0.00 0.00 177.57 177.47 1tnp n ASP 66 N -3.42 7.38 0.06 3.17 2.03 -0.19 -4.62 116.55 120.95 1tnp n ASP 66 Ca -0.03 -3.30 0.04 0.00 0.52 0.00 0.00 54.79 52.02 1tnp n ASP 66 Cb 0.11 -1.27 0.43 0.00 -0.72 0.00 0.00 41.12 39.67 1tnp n ASP 66 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1tnp h GLU 67 N 3.86 0.40 -2.47 -0.67 4.11 -1.64 -3.43 114.58 114.74 1tnp h GLU 67 Ca 0.56 -0.05 -0.08 0.00 0.07 0.00 0.00 59.36 59.87 1tnp h GLU 67 Cb 0.42 -0.08 -0.24 0.00 0.50 0.00 0.00 28.75 29.35 1tnp h GLU 67 CO 1.23 0.34 -0.18 -0.51 0.07 0.00 0.00 179.01 179.95 1tnp s ASP 68 N -6.79 -0.61 0.00 3.06 1.01 -1.26 -5.08 116.67 107.01 1tnp s ASP 68 Ca -0.07 1.06 0.00 0.00 0.71 0.00 0.00 52.55 54.25 1tnp s ASP 68 Cb 0.17 0.97 0.00 0.00 1.01 0.00 0.00 42.92 45.07 1tnp s ASP 68 CO 0.73 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 176.52 1tnp n GLY 69 N 3.89 0.06 3.54 0.21 0.00 -1.26 -5.08 105.19 106.55 1tnp n GLY 69 Ca -0.20 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 1tnp n GLY 69 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1tnp s SER 70 N -4.00 -0.42 0.00 1.61 1.04 -1.26 -5.04 113.70 105.64 1tnp s SER 70 Ca 0.00 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.72 1tnp s SER 70 Cb 0.00 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1tnp s SER 70 CO 0.00 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1tnp n GLY 71 N 0.36 -2.72 3.81 7.32 0.00 -1.26 -5.16 105.19 107.54 1tnp n GLY 71 Ca -0.11 -1.30 -0.23 0.00 0.00 0.00 0.00 46.02 44.38 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 -2.05 2.43 0.38 2.61 -4.23 -1.26 -4.97 115.64 108.55 1tnp s THR 72 Ca 0.00 -1.52 -0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1tnp s THR 72 Cb 0.00 -2.95 -0.03 0.00 1.34 0.00 0.00 72.50 70.86 1tnp s THR 72 CO 0.00 0.00 0.60 -0.51 -0.54 0.00 0.00 174.62 174.17 1tnp s ILE 73 N -2.55 4.94 0.38 2.99 2.07 -1.24 -5.01 121.20 122.78 1tnp s ILE 73 Ca 0.44 -0.37 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 1tnp s ILE 73 Cb 0.00 -3.82 -0.01 0.00 0.13 0.00 0.00 42.46 38.77 1tnp s ILE 73 CO 0.25 -0.57 0.07 0.47 -1.91 0.00 0.00 174.94 173.24 1tnp n ASP 74 N -1.89 2.12 0.09 4.50 9.92 -1.26 -3.52 116.55 126.50 1tnp n ASP 74 Ca -0.03 -2.85 -0.07 0.00 -0.53 0.00 0.00 54.79 51.30 1tnp n ASP 74 Cb 0.56 0.61 -0.02 0.00 -0.64 0.00 0.00 41.12 41.63 1tnp n ASP 74 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 1tnp h PHE 75 N 1.41 0.17 0.28 1.24 3.57 -2.00 -2.37 116.94 119.24 1tnp h PHE 75 Ca -0.31 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 1tnp h PHE 75 Cb 1.05 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1tnp h PHE 75 CO 0.00 0.93 -0.13 0.93 -2.23 0.00 0.00 178.31 177.81 1tnp h GLU 76 N 0.06 -0.36 -0.26 1.11 4.39 -1.97 -2.97 114.58 114.57 1tnp h GLU 76 Ca -0.03 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1tnp h GLU 76 Cb 1.53 0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.25 1tnp h GLU 76 CO 0.13 -0.04 0.13 0.93 -1.16 0.00 0.00 179.01 179.00 1tnp h GLU 77 N -0.74 0.35 -0.99 2.33 4.39 -1.97 -2.29 114.58 115.67 1tnp h GLU 77 Ca -0.04 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.68 1tnp h GLU 77 Cb 0.49 -0.07 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 1tnp h GLU 77 CO 0.06 0.27 0.64 0.35 -1.16 0.00 0.00 179.01 179.18 1tnp h PHE 78 N 0.36 1.19 -0.22 4.33 3.57 -1.32 -0.77 116.94 124.08 1tnp h PHE 78 Ca 0.09 0.03 -0.10 0.00 3.53 0.00 0.00 57.97 61.52 1tnp h PHE 78 Cb 0.03 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 38.36 1tnp h PHE 78 CO 0.00 0.65 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.38 1tnp h LEU 79 N 1.20 0.44 -0.97 0.59 3.38 -1.26 -2.98 115.31 115.72 1tnp h LEU 79 Ca 0.41 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.14 1tnp h LEU 79 Cb 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1tnp h LEU 79 CO -0.15 0.72 -0.09 0.58 0.09 0.00 0.00 178.44 179.59 1tnp h VAL 80 N 0.39 1.24 -0.02 1.22 2.07 -1.08 -2.79 116.25 117.29 1tnp h VAL 80 Ca 0.05 -1.06 -0.20 0.00 0.82 0.00 0.00 66.70 66.31 1tnp h VAL 80 Cb 0.70 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.51 1tnp h VAL 80 CO 0.05 0.36 -0.87 0.00 0.02 0.00 0.00 177.57 177.14 1tnp h MET 81 N 0.60 0.33 -0.21 1.57 -0.00 -1.31 -2.92 114.93 112.98 1tnp h MET 81 Ca 0.11 -0.33 -0.08 0.00 -0.00 0.00 0.00 59.70 59.40 1tnp h MET 81 Cb 0.51 0.09 -0.00 0.00 -0.00 0.00 0.00 31.60 32.20 1tnp h MET 81 CO 0.03 1.02 -0.17 0.52 -0.00 0.00 0.00 176.91 178.30 1tnp h MET 82 N 0.20 0.49 -0.27 -0.10 2.07 -1.36 -2.81 114.93 113.14 1tnp h MET 82 Ca -0.06 -0.24 -0.07 0.00 -2.07 0.00 0.00 59.70 57.26 1tnp h MET 82 Cb 1.48 0.00 -0.02 0.00 -1.87 0.00 0.00 31.60 31.20 1tnp h MET 82 CO 0.14 0.81 -0.14 0.28 1.07 0.00 0.00 176.91 179.08 1tnp h VAL 83 N 0.17 1.23 0.03 -2.22 2.07 -1.58 -2.45 116.25 113.50 1tnp h VAL 83 Ca 0.04 -1.01 0.03 0.00 0.82 0.00 0.00 66.70 66.58 1tnp h VAL 83 Cb 0.70 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.60 1tnp h VAL 83 CO 0.04 0.33 -0.28 -0.09 0.02 0.00 0.00 177.57 177.59 1tnp h ARG 84 N 0.42 -0.42 -0.16 1.57 2.43 -1.30 -2.61 114.38 114.31 1tnp h ARG 84 Ca 0.08 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 1tnp h ARG 84 Cb 0.49 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1tnp h ARG 84 CO 0.03 -0.28 -0.49 1.96 -1.51 0.00 0.00 179.97 179.68 1tnp h GLN 85 N -0.44 0.43 -0.36 0.20 7.50 -1.41 -3.15 115.11 117.90 1tnp h GLN 85 Ca 0.05 -0.25 0.07 0.00 0.50 0.00 0.00 58.65 59.03 1tnp h GLN 85 Cb 0.51 0.02 -0.07 0.00 0.05 0.00 0.00 27.48 27.99 1tnp h GLN 85 CO -0.22 0.83 -0.09 1.98 -1.50 0.00 0.00 178.83 179.83 1tnp h MET 86 N 0.34 0.00 -0.24 1.46 4.05 -1.06 -1.55 114.93 117.95 1tnp h MET 86 Ca 0.02 -0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.41 1tnp h MET 86 Cb 0.98 -0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 1tnp h MET 86 CO 0.09 0.00 0.05 -0.22 0.23 0.00 0.00 176.91 177.06 1tnp h LYS 87 N 0.00 0.38 -7.27 0.39 1.63 -1.55 -3.44 116.57 106.71 1tnp h LYS 87 Ca 0.17 -0.10 -0.52 0.00 -0.85 0.00 0.00 60.65 59.35 1tnp h LYS 87 Cb 0.26 -0.05 0.18 0.00 -0.60 0.00 0.00 32.23 32.02 1tnp h LYS 87 CO -0.36 0.50 0.26 -1.21 -3.45 0.00 0.00 179.45 175.19 1tnp s GLU 88 N -5.24 1.35 -0.17 1.90 0.41 -0.58 -5.05 118.70 111.32 1tnp s GLU 88 Ca -0.14 1.50 -0.35 0.00 -0.41 0.00 0.00 54.97 55.57 1tnp s GLU 88 Cb 0.07 -1.77 0.15 0.00 -1.78 0.00 0.00 34.13 30.80 1tnp s GLU 88 CO 0.73 -2.37 1.35 0.34 -0.49 0.00 0.00 175.26 174.81 1tnp s ASP 89 N -2.75 -0.04 0.00 -0.19 -1.08 -1.26 -4.92 116.67 106.43 1tnp s ASP 89 Ca 0.66 -0.02 0.00 0.00 -0.52 0.00 0.00 52.55 52.67 1tnp s ASP 89 Cb -0.22 0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.30 1tnp s ASP 89 CO 0.56 -0.11 0.00 0.00 0.52 0.00 0.00 175.17 176.14