#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 -3.73 -3.85 0.00 2.88 -1.26 -4.75 113.62 102.92 1tnp n SER 2 Ca 0.00 0.34 -0.25 0.00 -1.33 0.00 0.00 58.87 57.63 1tnp n SER 2 Cb 0.00 -1.94 0.01 0.00 -0.75 0.00 0.00 64.21 61.53 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 0.44 -4.35 -0.33 -1.46 2.00 -1.26 -4.83 117.12 107.33 1tnp n MET 3 Ca 0.00 0.53 0.34 0.00 0.00 0.00 0.00 57.70 58.57 1tnp n MET 3 Cb 0.00 -5.00 0.72 0.00 0.00 0.00 0.00 33.22 28.94 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 -1.87 0.41 0.00 2.03 2.02 -2.08 -3.24 112.91 110.18 1tnp h THR 4 Ca -0.61 -0.02 -0.21 0.00 0.77 0.00 0.00 66.41 66.34 1tnp h THR 4 Cb 1.37 0.35 -0.14 0.00 -1.74 0.00 0.00 68.15 67.99 1tnp h THR 4 CO 0.61 0.01 -0.36 -0.67 0.37 0.00 0.00 175.52 175.48 1tnp n ASP 5 N -4.25 -2.28 0.02 4.18 2.03 -1.26 -4.97 116.55 110.02 1tnp n ASP 5 Ca 0.26 -3.25 -0.11 0.00 0.52 0.00 0.00 54.79 52.21 1tnp n ASP 5 Cb 1.21 1.74 -0.14 0.00 -0.72 0.00 0.00 41.12 43.21 1tnp n ASP 5 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 1tnp h GLN 6 N 3.15 0.09 -0.37 -0.67 5.75 -1.94 -3.22 115.11 117.89 1tnp h GLN 6 Ca -0.15 -0.15 0.07 0.00 -0.15 0.00 0.00 58.65 58.28 1tnp h GLN 6 Cb 1.10 0.06 -0.09 0.00 1.07 0.00 0.00 27.48 29.62 1tnp h GLN 6 CO 0.14 0.83 -0.35 1.96 -2.65 0.00 0.00 178.83 178.76 1tnp h GLN 7 N 0.02 -0.28 0.00 1.69 1.08 -1.93 -2.13 115.11 113.56 1tnp h GLN 7 Ca -0.22 0.02 -0.16 0.00 -1.45 0.00 0.00 58.65 56.84 1tnp h GLN 7 Cb 1.96 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 29.43 1tnp h GLN 7 CO 0.11 -0.19 -0.76 0.00 -0.95 0.00 0.00 178.83 177.05 1tnp h ALA 8 N 0.63 0.68 -0.70 3.87 0.00 -1.96 -3.31 119.26 118.48 1tnp h ALA 8 Ca 0.16 -0.69 0.14 0.00 0.00 0.00 0.00 54.91 54.52 1tnp h ALA 8 Cb 0.56 -0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.12 1tnp h ALA 8 CO -0.53 0.95 0.16 0.93 0.00 0.00 0.00 179.25 180.76 1tnp h GLU 9 N 0.00 0.26 -0.85 0.00 4.39 -1.39 -1.10 114.58 115.89 1tnp h GLU 9 Ca -0.01 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1tnp h GLU 9 Cb 1.39 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.94 1tnp h GLU 9 CO 0.10 0.17 0.54 0.00 -1.16 0.00 0.00 179.01 178.66 1tnp h ALA 10 N 1.57 1.35 -0.63 3.43 0.00 -1.63 -2.44 119.26 120.91 1tnp h ALA 10 Ca 0.38 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1tnp h ALA 10 Cb 0.63 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1tnp h ALA 10 CO -0.48 0.58 0.42 -0.09 0.00 0.00 0.00 179.25 179.68 1tnp h ARG 11 N 1.16 0.82 -0.22 0.00 2.43 -1.39 -2.18 114.38 115.01 1tnp h ARG 11 Ca 0.31 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1tnp h ARG 11 Cb -0.09 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.26 1tnp h ARG 11 CO -0.06 0.54 0.12 0.00 -1.51 0.00 0.00 179.97 179.07 1tnp h ALA 12 N 1.61 1.81 0.27 2.80 0.00 -1.39 -2.99 119.26 121.37 1tnp h ALA 12 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 1tnp h ALA 12 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1tnp h ALA 12 CO -0.05 0.17 -0.13 0.35 0.00 0.00 0.00 179.25 179.59 1tnp h PHE 13 N 0.30 -0.34 -4.32 0.00 3.04 -1.50 -3.45 116.94 110.67 1tnp h PHE 13 Ca 0.08 -0.01 -0.50 0.00 3.98 0.00 0.00 57.97 61.52 1tnp h PHE 13 Cb 0.00 0.11 0.06 0.00 2.56 0.00 0.00 35.95 38.69 1tnp h PHE 13 CO 0.00 0.01 0.40 -0.48 -2.02 0.00 0.00 178.31 176.23 1tnp s LEU 14 N -9.17 3.28 0.96 0.59 0.05 -1.13 -5.07 118.68 108.18 1tnp s LEU 14 Ca -0.12 1.50 -0.14 0.00 0.05 0.00 0.00 54.13 55.43 1tnp s LEU 14 Cb 0.01 -4.48 0.17 0.00 -2.05 0.00 0.00 46.19 39.83 1tnp s LEU 14 CO 0.44 -0.97 1.16 -0.44 -0.55 0.00 0.00 176.35 175.99 1tnp s SER 15 N -3.87 3.10 0.08 1.48 0.01 -1.26 -4.90 113.70 108.34 1tnp s SER 15 Ca 0.57 0.81 -0.08 0.00 1.31 0.00 0.00 55.95 58.55 1tnp s SER 15 Cb -0.12 -1.26 -0.23 0.00 0.21 0.00 0.00 66.02 64.62 1tnp s SER 15 CO 0.50 -2.79 1.17 -0.08 0.41 0.00 0.00 173.24 172.45 1tnp h GLU 16 N -1.67 0.44 0.05 12.44 4.81 -1.98 -3.30 114.58 125.38 1tnp h GLU 16 Ca -0.49 -0.61 -0.23 0.00 -0.13 0.00 0.00 59.36 57.90 1tnp h GLU 16 Cb 1.31 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.89 1tnp h GLU 16 CO 0.55 1.25 -1.04 0.93 -0.73 0.00 0.00 179.01 179.97 1tnp h GLU 17 N 0.19 0.17 -0.41 1.92 5.08 -2.02 -3.16 114.58 116.34 1tnp h GLU 17 Ca -0.15 -0.24 0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1tnp h GLU 17 Cb 1.86 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 31.17 1tnp h GLU 17 CO 0.21 1.06 0.27 1.98 -1.00 0.00 0.00 179.01 181.53 1tnp h MET 18 N 0.07 0.47 -0.73 2.33 4.05 -1.96 -1.42 114.93 117.74 1tnp h MET 18 Ca -0.07 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.41 1tnp h MET 18 Cb 1.74 -0.11 -0.07 0.00 -0.80 0.00 0.00 31.60 32.36 1tnp h MET 18 CO 0.16 0.31 0.39 0.82 0.23 0.00 0.00 176.91 178.82 1tnp h ILE 19 N 0.49 0.89 -1.04 1.77 2.04 -1.62 -2.15 117.51 117.89 1tnp h ILE 19 Ca 0.16 -0.23 0.27 0.00 1.00 0.00 0.00 64.86 66.06 1tnp h ILE 19 Cb 0.05 0.17 -0.11 0.00 -0.74 0.00 0.00 36.82 36.18 1tnp h ILE 19 CO -0.04 0.12 0.65 0.00 0.00 0.00 0.00 178.15 178.88 1tnp h ALA 20 N 1.41 2.08 -0.00 1.87 0.00 -1.40 -0.40 119.26 122.82 1tnp h ALA 20 Ca 0.35 0.09 -0.20 0.00 0.00 0.00 0.00 54.91 55.15 1tnp h ALA 20 Cb 0.32 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.16 1tnp h ALA 20 CO -0.24 -0.53 -0.78 1.49 0.00 0.00 0.00 179.25 179.19 1tnp h GLU 21 N 0.45 0.53 -0.06 0.00 4.57 -1.51 -3.08 114.58 115.47 1tnp h GLU 21 Ca 0.63 -0.57 0.04 0.00 -1.18 0.00 0.00 59.36 58.28 1tnp h GLU 21 Cb 1.45 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 30.14 1tnp h GLU 21 CO -0.38 1.19 -0.36 0.74 -1.18 0.00 0.00 179.01 179.02 1tnp h PHE 22 N 0.10 -1.02 -0.15 0.92 -1.00 -1.00 -1.60 116.94 113.19 1tnp h PHE 22 Ca -0.10 0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.67 1tnp h PHE 22 Cb 1.46 0.46 -0.01 0.00 3.61 0.00 0.00 35.95 41.47 1tnp h PHE 22 CO 0.13 -0.44 -0.15 1.57 -1.61 0.00 0.00 178.31 177.81 1tnp h LYS 23 N -0.48 0.24 -0.61 1.51 2.10 -1.62 -2.83 116.57 114.88 1tnp h LYS 23 Ca 0.07 -0.06 0.12 0.00 -2.00 0.00 0.00 60.65 58.78 1tnp h LYS 23 Cb 0.60 -0.03 -0.12 0.00 -0.90 0.00 0.00 32.23 31.78 1tnp h LYS 23 CO -0.33 0.39 -0.22 0.00 -2.00 0.00 0.00 179.45 177.29 1tnp h ALA 24 N 1.63 0.25 0.00 0.07 0.00 -1.19 -1.60 119.26 118.42 1tnp h ALA 24 Ca 0.05 0.22 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1tnp h ALA 24 Cb 0.40 0.58 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1tnp h ALA 24 CO 0.02 -0.51 -0.92 0.00 0.00 0.00 0.00 179.25 177.84 1tnp h ALA 25 N 1.40 0.45 -0.94 0.00 0.00 -1.44 -3.25 119.26 115.48 1tnp h ALA 25 Ca 0.28 -0.84 0.16 0.00 0.00 0.00 0.00 54.91 54.51 1tnp h ALA 25 Cb 0.50 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.06 1tnp h ALA 25 CO -0.66 1.15 0.60 0.35 0.00 0.00 0.00 179.25 180.70 1tnp h PHE 26 N 0.00 0.87 -0.09 0.00 3.04 -1.10 -1.53 116.94 118.14 1tnp h PHE 26 Ca -0.01 0.03 -0.19 0.00 3.98 0.00 0.00 57.97 61.78 1tnp h PHE 26 Cb 1.66 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.90 1tnp h PHE 26 CO 0.00 0.28 -0.72 0.22 -2.02 0.00 0.00 178.31 176.07 1tnp h ASP 27 N 0.70 0.51 -0.97 0.41 1.82 -1.52 -2.95 116.42 114.44 1tnp h ASP 27 Ca 0.49 -0.33 0.24 0.00 -0.39 0.00 0.00 57.03 57.04 1tnp h ASP 27 Cb 0.81 -0.15 -0.07 0.00 0.68 0.00 0.00 39.33 40.60 1tnp h ASP 27 CO -0.25 1.07 0.65 0.24 -1.61 0.00 0.00 179.24 179.34 1tnp h MET 28 N 0.30 0.30 0.11 0.28 2.86 -1.39 -0.20 114.93 117.18 1tnp h MET 28 Ca -0.03 -0.02 -0.32 0.00 -2.06 0.00 0.00 59.70 57.28 1tnp h MET 28 Cb 1.30 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1tnp h MET 28 CO 0.13 0.20 -1.67 0.74 1.06 0.00 0.00 176.91 177.36 1tnp h PHE 29 N 0.31 0.42 -3.54 -0.22 -1.00 -1.63 -3.42 116.94 107.86 1tnp h PHE 29 Ca 0.51 -0.30 -0.73 0.00 2.81 0.00 0.00 57.97 60.26 1tnp h PHE 29 Cb 1.44 -0.02 -0.31 0.00 3.61 0.00 0.00 35.95 40.67 1tnp h PHE 29 CO -0.00 1.66 -0.26 0.34 -1.61 0.00 0.00 178.31 178.43 1tnp s ASP 30 N -7.04 5.76 0.01 2.17 2.15 -0.11 -4.95 116.67 114.66 1tnp s ASP 30 Ca -0.22 -2.51 -0.22 0.00 0.43 0.00 0.00 52.55 50.02 1tnp s ASP 30 Cb 0.06 -1.99 -0.17 0.00 -0.30 0.00 0.00 42.92 40.52 1tnp s ASP 30 CO 0.75 -0.52 1.29 0.00 -0.17 0.00 0.00 175.17 176.52 1tnp h ALA 31 N 7.66 0.14 -3.28 3.66 0.00 -1.76 -3.40 119.26 122.27 1tnp h ALA 31 Ca -0.05 -0.32 -0.35 0.00 0.00 0.00 0.00 54.91 54.20 1tnp h ALA 31 Cb 1.01 -0.03 -0.38 0.00 0.00 0.00 0.00 17.79 18.40 1tnp h ALA 31 CO 0.77 -0.00 -0.72 -0.51 0.00 0.00 0.00 179.25 178.78 1tnp s ASP 32 N -6.02 0.99 0.00 0.00 1.01 -1.26 -5.02 116.67 106.37 1tnp s ASP 32 Ca -0.15 0.12 0.00 0.00 0.71 0.00 0.00 52.55 53.24 1tnp s ASP 32 Cb 0.04 -0.06 0.00 0.00 1.01 0.00 0.00 42.92 43.91 1tnp s ASP 32 CO 0.73 -0.24 0.00 0.61 0.21 0.00 0.00 175.17 176.48 1tnp n GLY 33 N 5.22 -2.07 0.00 0.21 0.00 -1.26 -5.08 105.19 102.22 1tnp n GLY 33 Ca -0.05 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.60 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 -1.17 0.93 0.00 -0.02 0.00 -1.26 -5.00 105.19 98.67 1tnp n GLY 34 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.00 3.32 -0.02 0.00 -1.26 -5.14 105.19 102.09 1tnp n GLY 35 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 1tnp n GLY 35 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1tnp s ASP 36 N 0.00 -0.33 0.26 1.61 -4.77 -1.26 -3.91 116.67 108.27 1tnp s ASP 36 Ca 0.00 0.27 0.02 0.00 -3.30 0.00 0.00 52.55 49.54 1tnp s ASP 36 Cb 0.00 0.38 -0.04 0.00 -1.09 0.00 0.00 42.92 42.17 1tnp s ASP 36 CO 0.00 -0.49 0.15 0.27 0.70 0.00 0.00 175.17 175.80 1tnp s ILE 37 N -1.28 0.18 0.84 2.11 -4.36 -1.06 -4.85 121.20 112.79 1tnp s ILE 37 Ca -0.13 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.15 1tnp s ILE 37 Cb -0.04 -2.53 0.10 0.00 1.25 0.00 0.00 42.46 41.25 1tnp s ILE 37 CO 0.06 0.00 1.10 -0.55 0.24 0.00 0.00 174.94 175.78 1tnp s SER 38 N -3.27 3.86 0.10 4.36 0.15 -1.26 -3.20 113.70 114.44 1tnp s SER 38 Ca 0.38 1.74 0.04 0.00 0.70 0.00 0.00 55.95 58.80 1tnp s SER 38 Cb 0.06 -2.40 -0.23 0.00 -1.71 0.00 0.00 66.02 61.74 1tnp s SER 38 CO 0.16 -2.43 1.22 0.71 1.20 0.00 0.00 173.24 174.10 1tnp h THR 39 N -1.40 1.62 -0.40 6.45 1.35 -1.93 -2.85 112.91 115.75 1tnp h THR 39 Ca -0.46 -3.29 -0.06 0.00 -0.55 0.00 0.00 66.41 62.04 1tnp h THR 39 Cb 1.26 2.87 -0.02 0.00 -1.73 0.00 0.00 68.15 70.53 1tnp h THR 39 CO 0.51 0.94 -0.01 0.11 -0.25 0.00 0.00 175.52 176.82 1tnp h LYS 40 N 0.02 0.64 0.04 4.72 6.56 -1.98 -3.08 116.57 123.50 1tnp h LYS 40 Ca -0.06 -0.16 -0.32 0.00 -1.06 0.00 0.00 60.65 59.06 1tnp h LYS 40 Cb 1.84 -0.08 -0.04 0.00 -0.57 0.00 0.00 32.23 33.38 1tnp h LYS 40 CO 0.15 0.67 -1.84 0.39 -2.06 0.00 0.00 179.45 176.76 1tnp n GLU 41 N -4.24 0.67 -0.34 3.15 -0.58 -1.25 -4.30 120.64 113.75 1tnp n GLU 41 Ca 0.02 0.27 0.07 0.00 -0.42 0.00 0.00 57.16 57.10 1tnp n GLU 41 Cb 0.28 -1.75 0.16 0.00 -0.57 0.00 0.00 31.44 29.55 1tnp n GLU 41 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1tnp h LEU 42 N 0.02 -0.81 -0.60 -4.62 5.85 -1.40 0.27 115.31 114.03 1tnp h LEU 42 Ca -0.34 0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 1tnp h LEU 42 Cb 2.03 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 43.60 1tnp h LEU 42 CO 0.08 -0.32 0.30 1.23 -0.34 0.00 0.00 178.44 179.39 1tnp h GLY 43 N 0.00 0.91 1.01 3.75 0.00 -1.75 -1.80 103.07 105.19 1tnp h GLY 43 Ca 0.48 -0.44 0.13 0.00 0.00 0.00 0.00 47.33 47.50 1tnp h GLY 43 CO -0.96 0.42 0.37 -0.84 0.00 0.00 0.00 176.54 175.52 1tnp h THR 44 N 0.81 0.62 0.12 4.70 2.02 -0.69 0.30 112.91 120.79 1tnp h THR 44 Ca 0.21 0.00 -0.28 0.00 0.77 0.00 0.00 66.41 67.10 1tnp h THR 44 Cb 0.09 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1tnp h THR 44 CO -0.03 0.00 -1.34 -0.37 0.37 0.00 0.00 175.52 174.15 1tnp h VAL 45 N 0.00 1.38 0.00 3.16 -1.51 -0.86 -2.25 116.25 116.17 1tnp h VAL 45 Ca 0.22 -2.98 -0.00 0.00 -1.23 0.00 0.00 66.70 62.71 1tnp h VAL 45 Cb 0.95 2.87 -0.00 0.00 -2.13 0.00 0.00 31.29 32.98 1tnp h VAL 45 CO -0.00 0.86 -0.02 0.24 -1.23 0.00 0.00 177.57 177.42 1tnp h MET 46 N 0.07 0.00 0.00 5.19 2.86 -0.45 -3.18 114.93 119.42 1tnp h MET 46 Ca -0.17 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.25 1tnp h MET 46 Cb 1.98 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.60 1tnp h MET 46 CO 0.19 0.02 -1.83 0.54 1.06 0.00 0.00 176.91 176.88 1tnp n ARG 47 N -3.10 0.77 0.11 1.72 3.00 -0.52 -3.96 116.66 114.68 1tnp n ARG 47 Ca 0.03 0.06 0.10 0.00 -0.01 0.00 0.00 57.85 58.04 1tnp n ARG 47 Cb 0.49 -1.30 0.45 0.00 0.00 0.00 0.00 32.46 32.10 1tnp n ARG 47 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1tnp n MET 48 N -2.82 0.14 -0.64 5.56 1.56 -0.84 -1.83 117.12 118.25 1tnp n MET 48 Ca -0.25 0.45 0.06 0.00 -0.27 0.00 0.00 57.70 57.70 1tnp n MET 48 Cb 0.80 -1.81 0.19 0.00 2.15 0.00 0.00 33.22 34.56 1tnp n MET 48 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1tnp n LEU 49 N -2.07 2.58 0.00 -0.89 4.77 -1.20 -4.90 117.00 115.29 1tnp n LEU 49 Ca 0.01 -3.74 0.00 0.00 -0.03 0.00 0.00 56.01 52.25 1tnp n LEU 49 Cb 0.16 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1tnp n LEU 49 CO 0.15 1.32 0.00 0.61 -1.33 0.00 0.00 177.39 178.14 1tnp n GLY 50 N -1.02 -0.70 0.00 -0.72 0.00 -0.81 -4.99 105.19 96.95 1tnp n GLY 50 Ca 0.18 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.95 0.00 -3.29 1.61 6.02 -0.76 -5.06 117.38 114.95 1tnp n GLN 51 Ca 0.00 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.74 1tnp n GLN 51 Cb 0.00 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.18 1tnp n GLN 51 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1tnp n ASN 52 N 0.00 -0.48 0.00 1.08 5.15 -1.26 -4.47 115.26 115.28 1tnp n ASN 52 Ca 0.00 -2.51 0.00 0.00 -0.60 0.00 0.00 54.58 51.47 1tnp n ASN 52 Cb 0.00 -0.43 0.00 0.00 -0.53 0.00 0.00 39.78 38.82 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1tnp n PRO 53 N 2.39 0.00 -3.75 1.20 -0.04 -1.26 -5.11 135.00 128.44 1tnp n PRO 53 Ca 0.26 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.66 1tnp n PRO 53 Cb 0.50 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.94 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 0.00 0.00 -0.01 0.52 2.01 -1.26 -5.05 115.64 111.85 1tnp s THR 54 Ca 0.00 -0.71 -0.01 0.00 0.31 0.00 0.00 61.69 61.29 1tnp s THR 54 Cb 0.00 -1.79 -0.27 0.00 0.01 0.00 0.00 72.50 70.45 1tnp s THR 54 CO 0.00 0.00 0.81 0.11 -0.69 0.00 0.00 174.62 174.85 1tnp h LYS 55 N 2.00 0.20 -0.59 4.92 1.57 -2.01 -3.25 116.57 119.41 1tnp h LYS 55 Ca -0.23 -0.35 0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1tnp h LYS 55 Cb 1.25 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.66 1tnp h LYS 55 CO 0.26 1.03 0.39 1.49 -0.57 0.00 0.00 179.45 182.06 1tnp h GLU 56 N 0.06 0.47 -0.49 3.15 4.81 -2.02 -1.18 114.58 119.37 1tnp h GLU 56 Ca -0.25 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 58.92 1tnp h GLU 56 Cb 2.00 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.25 1tnp h GLU 56 CO 0.14 0.31 0.18 0.93 -0.73 0.00 0.00 179.01 179.84 1tnp h GLU 57 N 0.49 0.71 -0.96 1.92 4.39 -1.97 -2.10 114.58 117.06 1tnp h GLU 57 Ca 0.26 -0.11 0.20 0.00 0.34 0.00 0.00 59.36 60.05 1tnp h GLU 57 Cb 0.40 -0.13 -0.09 0.00 -0.10 0.00 0.00 28.75 28.84 1tnp h GLU 57 CO -0.08 0.60 0.61 1.25 -1.16 0.00 0.00 179.01 180.24 1tnp h LEU 58 N 0.70 0.59 -0.26 1.33 5.85 -1.31 -1.45 115.31 120.77 1tnp h LEU 58 Ca 0.17 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.91 1tnp h LEU 58 Cb 0.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1tnp h LEU 58 CO -0.01 0.22 -0.01 0.44 -0.34 0.00 0.00 178.44 178.74 1tnp h ASP 59 N 0.58 0.45 0.22 1.25 3.32 -1.46 -3.03 116.42 117.76 1tnp h ASP 59 Ca 0.53 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1tnp h ASP 59 Cb 1.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 1tnp h ASP 59 CO -0.27 0.65 -0.23 0.00 -1.72 0.00 0.00 179.24 177.67 1tnp h ALA 60 N 0.81 -0.46 -1.02 3.45 0.00 -1.31 -1.51 119.26 119.21 1tnp h ALA 60 Ca 0.07 -0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.17 1tnp h ALA 60 Cb 0.43 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.46 1tnp h ALA 60 CO 0.01 -0.79 0.66 0.82 0.00 0.00 0.00 179.25 179.95 1tnp h ILE 61 N -0.49 0.56 -0.07 0.00 2.04 -1.52 0.17 117.51 118.20 1tnp h ILE 61 Ca -0.00 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 1tnp h ILE 61 Cb 0.46 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1tnp h ILE 61 CO -0.06 0.07 0.03 -0.29 0.00 0.00 0.00 178.15 177.91 1tnp h ILE 62 N 0.39 1.12 -0.60 -0.67 6.09 -1.15 -2.61 117.51 120.09 1tnp h ILE 62 Ca 0.57 -0.37 0.15 0.00 -1.37 0.00 0.00 64.86 63.84 1tnp h ILE 62 Cb 1.45 1.24 -0.03 0.00 0.47 0.00 0.00 36.82 39.94 1tnp h ILE 62 CO -0.26 0.11 0.42 -0.08 -3.07 0.00 0.00 178.15 175.26 1tnp h GLU 63 N -0.02 0.12 0.04 2.19 4.57 -0.69 -2.42 114.58 118.37 1tnp h GLU 63 Ca 0.03 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1tnp h GLU 63 Cb 0.14 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1tnp h GLU 63 CO -0.00 0.08 -0.02 1.49 -1.18 0.00 0.00 179.01 179.38 1tnp h GLU 64 N 0.13 -0.05 0.83 1.92 4.57 -1.41 -3.27 114.58 117.30 1tnp h GLU 64 Ca 0.29 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1tnp h GLU 64 Cb 0.96 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.57 1tnp h GLU 64 CO -0.04 0.45 -0.40 0.28 -1.18 0.00 0.00 179.01 178.13 1tnp h VAL 65 N -0.97 0.00 -1.52 0.32 2.07 -1.26 -3.22 116.25 111.67 1tnp h VAL 65 Ca -0.01 -0.03 -0.75 0.00 0.82 0.00 0.00 66.70 66.74 1tnp h VAL 65 Cb 0.52 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.11 1tnp h VAL 65 CO 0.01 0.00 1.78 -0.67 0.02 0.00 0.00 177.57 178.71 1tnp n ASP 66 N -5.08 7.70 0.09 0.57 2.03 -0.93 -4.56 116.55 116.37 1tnp n ASP 66 Ca -0.14 -3.35 -0.07 0.00 0.52 0.00 0.00 54.79 51.76 1tnp n ASP 66 Cb 0.44 -1.28 0.05 0.00 -0.72 0.00 0.00 41.12 39.61 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 4.29 0.18 0.00 -0.67 4.57 -1.61 -3.46 114.58 117.89 1tnp h GLU 67 Ca 0.62 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 58.64 1tnp h GLU 67 Cb 0.33 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1tnp h GLU 67 CO 1.34 0.86 0.00 -0.25 -1.18 0.00 0.00 179.01 179.77 1tnp n ASP 68 N -3.73 0.81 -4.58 1.04 8.00 -1.26 -5.10 116.55 111.72 1tnp n ASP 68 Ca -0.03 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.05 1tnp n ASP 68 Cb 0.73 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.78 1tnp n ASP 68 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1tnp s GLY 69 N 0.00 1.58 0.00 0.44 0.00 -1.26 -4.89 107.32 103.18 1tnp s GLY 69 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1tnp s GLY 69 CO 0.00 1.90 0.00 1.44 0.00 0.00 0.00 173.10 176.44 1tnp n SER 70 N 6.76 0.00 0.00 1.64 7.64 -1.26 -5.13 113.62 123.27 1tnp n SER 70 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1tnp n SER 70 Cb 0.48 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1tnp n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1tnp n GLY 71 N 3.66 1.58 0.00 0.23 0.00 -1.26 -5.07 105.19 104.33 1tnp n GLY 71 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1tnp n GLY 71 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1tnp n THR 72 N 0.00 0.00 -3.72 2.61 -2.24 -1.26 -4.83 114.28 104.83 1tnp n THR 72 Ca 0.00 0.00 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1tnp n THR 72 Cb 0.00 -0.43 -0.13 0.00 -2.10 0.00 0.00 70.33 67.67 1tnp n THR 72 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 1tnp s ILE 73 N 1.13 -0.07 0.00 2.28 -1.16 -1.19 -4.96 121.20 117.22 1tnp s ILE 73 Ca 0.00 0.16 0.00 0.00 -0.51 0.00 0.00 60.65 60.30 1tnp s ILE 73 Cb 0.00 -0.38 0.00 0.00 0.61 0.00 0.00 42.46 42.69 1tnp s ILE 73 CO 0.00 0.07 0.00 0.47 -2.81 0.00 0.00 174.94 172.67 1tnp n ASP 74 N 4.33 0.01 0.05 4.50 9.92 -1.26 -2.55 116.55 131.55 1tnp n ASP 74 Ca -0.24 -0.64 -0.03 0.00 -0.53 0.00 0.00 54.79 53.36 1tnp n ASP 74 Cb 0.53 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.93 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 0.00 0.00 0.03 1.24 3.04 -1.99 -3.15 116.94 116.11 1tnp h PHE 75 Ca 0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1tnp h PHE 75 Cb 0.00 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1tnp h PHE 75 CO 0.00 0.75 -0.01 0.93 -2.02 0.00 0.00 178.31 177.95 1tnp h GLU 76 N 0.00 -0.03 -0.97 1.11 5.08 -1.96 -2.54 114.58 115.27 1tnp h GLU 76 Ca -0.12 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.51 1tnp h GLU 76 Cb 1.67 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.88 1tnp h GLU 76 CO 0.08 -0.02 0.67 1.49 -1.00 0.00 0.00 179.01 180.23 1tnp h GLU 77 N -0.05 0.15 -0.21 2.33 4.81 -1.93 -1.07 114.58 118.62 1tnp h GLU 77 Ca -0.00 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1tnp h GLU 77 Cb 0.03 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 1tnp h GLU 77 CO 0.01 0.10 0.02 0.35 -0.73 0.00 0.00 179.01 178.76 1tnp h PHE 78 N 0.16 0.03 -0.33 0.92 3.57 -1.50 -1.31 116.94 118.49 1tnp h PHE 78 Ca 0.49 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.97 1tnp h PHE 78 Cb 1.64 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 40.38 1tnp h PHE 78 CO -0.00 -0.01 0.05 -0.07 -2.23 0.00 0.00 178.31 176.05 1tnp h LEU 79 N 0.09 0.44 -1.14 0.59 3.38 -0.76 -2.62 115.31 115.30 1tnp h LEU 79 Ca 0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1tnp h LEU 79 Cb 0.11 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1tnp h LEU 79 CO -0.14 0.48 0.19 0.58 0.09 0.00 0.00 178.44 179.64 1tnp h VAL 80 N 0.47 1.21 -0.04 1.22 2.07 -0.96 -2.54 116.25 117.68 1tnp h VAL 80 Ca 0.11 -0.67 -0.19 0.00 0.82 0.00 0.00 66.70 66.77 1tnp h VAL 80 Cb 0.24 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1tnp h VAL 80 CO 0.00 0.26 -0.78 0.24 0.02 0.00 0.00 177.57 177.31 1tnp h MET 81 N 0.78 0.32 0.10 1.57 2.86 -1.04 -2.84 114.93 116.69 1tnp h MET 81 Ca 0.18 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1tnp h MET 81 Cb 0.19 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.92 1tnp h MET 81 CO -0.01 0.96 -0.05 0.52 1.06 0.00 0.00 176.91 179.38 1tnp h MET 82 N 0.21 -0.13 -0.25 1.72 2.07 -1.36 -2.21 114.93 114.97 1tnp h MET 82 Ca -0.04 0.01 -0.04 0.00 -2.07 0.00 0.00 59.70 57.56 1tnp h MET 82 Cb 1.37 0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 31.12 1tnp h MET 82 CO 0.13 0.24 -0.04 0.28 1.07 0.00 0.00 176.91 178.59 1tnp h VAL 83 N -0.52 1.17 -0.61 -2.22 2.07 -1.60 -2.38 116.25 112.16 1tnp h VAL 83 Ca -0.01 -0.71 -0.06 0.00 0.82 0.00 0.00 66.70 66.74 1tnp h VAL 83 Cb 0.43 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1tnp h VAL 83 CO 0.02 0.23 0.14 -0.09 0.02 0.00 0.00 177.57 177.90 1tnp h ARG 84 N 0.36 0.95 0.16 1.57 2.43 -1.34 -3.21 114.38 115.30 1tnp h ARG 84 Ca 0.08 -0.21 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1tnp h ARG 84 Cb 0.31 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1tnp h ARG 84 CO 0.01 0.85 -0.08 0.37 -1.51 0.00 0.00 179.97 179.62 1tnp h GLN 85 N 0.91 -0.20 -0.99 0.20 5.75 -0.88 -2.80 115.11 117.09 1tnp h GLN 85 Ca 0.19 0.01 0.22 0.00 -0.15 0.00 0.00 58.65 58.93 1tnp h GLN 85 Cb 0.34 0.05 -0.12 0.00 1.07 0.00 0.00 27.48 28.81 1tnp h GLN 85 CO 0.00 0.23 0.59 1.98 -2.65 0.00 0.00 178.83 178.97 1tnp h MET 86 N -0.77 0.62 -0.27 1.69 4.05 -1.55 0.31 114.93 119.01 1tnp h MET 86 Ca -0.02 -0.04 -0.13 0.00 -0.28 0.00 0.00 59.70 59.23 1tnp h MET 86 Cb 0.53 -0.14 -0.00 0.00 -0.80 0.00 0.00 31.60 31.18 1tnp h MET 86 CO 0.04 0.41 -0.35 -0.22 0.23 0.00 0.00 176.91 177.02 1tnp h LYS 87 N 0.63 0.71 0.00 0.39 3.64 -1.60 -3.36 116.57 116.98 1tnp h LYS 87 Ca 0.61 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1tnp h LYS 87 Cb 1.09 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1tnp h LYS 87 CO -0.45 1.02 0.00 -1.91 -2.27 0.00 0.00 179.45 175.85 1tnp n GLU 88 N -4.23 0.00 -5.02 1.90 0.00 0.11 -4.75 120.64 108.65 1tnp n GLU 88 Ca -0.04 0.33 -0.30 0.00 0.00 0.00 0.00 57.16 57.15 1tnp n GLU 88 Cb 0.51 -1.06 -0.15 0.00 0.00 0.00 0.00 31.44 30.73 1tnp n GLU 88 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1tnp s ASP 89 N -2.54 3.00 0.00 4.31 -1.08 -0.99 -5.12 116.67 114.25 1tnp s ASP 89 Ca 0.00 -0.53 0.00 0.00 -0.52 0.00 0.00 52.55 51.50 1tnp s ASP 89 Cb 0.00 -0.29 0.00 0.00 -1.46 0.00 0.00 42.92 41.17 1tnp s ASP 89 CO 0.00 0.27 0.00 0.00 0.52 0.00 0.00 175.17 175.96