#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 0.00 -3.52 0.00 7.64 -1.26 -4.99 113.62 111.50 1tnp n SER 2 Ca 0.00 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.51 1tnp n SER 2 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1tnp n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1tnp n MET 3 N -0.92 4.69 -0.29 1.43 1.56 -1.26 -4.80 117.12 117.52 1tnp n MET 3 Ca 0.00 -4.70 0.30 0.00 -0.27 0.00 0.00 57.70 53.03 1tnp n MET 3 Cb 0.00 -2.41 0.68 0.00 2.15 0.00 0.00 33.22 33.63 1tnp n MET 3 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1tnp h THR 4 N 2.59 0.47 0.00 1.12 1.03 -2.10 -3.38 112.91 112.65 1tnp h THR 4 Ca 0.39 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.75 1tnp h THR 4 Cb 0.42 0.35 0.00 0.00 -1.07 0.00 0.00 68.15 67.84 1tnp h THR 4 CO 1.10 0.02 0.00 0.47 -0.01 0.00 0.00 175.52 177.10 1tnp n ASP 5 N -4.33 0.00 -4.55 0.00 8.00 -1.26 -5.10 116.55 109.31 1tnp n ASP 5 Ca 0.24 0.00 -0.25 0.00 0.71 0.00 0.00 54.79 55.49 1tnp n ASP 5 Cb 1.08 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 42.11 1tnp n ASP 5 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1tnp n GLN 6 N 0.00 0.69 -0.15 -1.24 1.13 -1.26 -4.77 117.38 111.79 1tnp n GLN 6 Ca 0.00 -0.41 -0.09 0.00 -1.94 0.00 0.00 57.00 54.56 1tnp n GLN 6 Cb 0.00 -3.32 0.04 0.00 0.11 0.00 0.00 30.24 27.08 1tnp n GLN 6 CO 0.00 0.00 0.00 -0.56 -1.44 0.00 0.00 177.06 175.06 1tnp h GLN 7 N 15.45 0.94 -0.07 -1.09 -0.00 -1.99 -3.02 115.11 125.33 1tnp h GLN 7 Ca -0.10 -0.36 -0.09 0.00 -0.00 0.00 0.00 58.65 58.10 1tnp h GLN 7 Cb 1.14 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 28.55 1tnp h GLN 7 CO 1.13 1.02 -0.39 0.00 -0.00 0.00 0.00 178.83 180.59 1tnp h ALA 8 N 0.99 1.23 -0.68 0.06 0.00 -1.97 -2.88 119.26 116.01 1tnp h ALA 8 Ca 0.12 -0.38 0.10 0.00 0.00 0.00 0.00 54.91 54.75 1tnp h ALA 8 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 1tnp h ALA 8 CO 0.05 0.54 0.45 1.49 0.00 0.00 0.00 179.25 181.78 1tnp h GLU 9 N 0.12 0.54 0.38 0.00 4.57 -1.91 -2.72 114.58 115.55 1tnp h GLU 9 Ca 0.01 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 58.14 1tnp h GLU 9 Cb 0.74 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1tnp h GLU 9 CO 0.06 0.35 -0.18 0.00 -1.18 0.00 0.00 179.01 178.06 1tnp h ALA 10 N 1.65 -0.51 -0.39 2.92 0.00 -1.59 -2.93 119.26 118.41 1tnp h ALA 10 Ca 0.31 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1tnp h ALA 10 Cb 0.49 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tnp h ALA 10 CO -0.10 -0.75 0.06 0.00 0.00 0.00 0.00 179.25 178.46 1tnp h ARG 11 N -0.58 0.58 -0.79 0.00 3.08 -1.65 -2.41 114.38 112.61 1tnp h ARG 11 Ca -0.05 -0.11 0.14 0.00 0.07 0.00 0.00 59.98 60.03 1tnp h ARG 11 Cb 0.43 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.33 1tnp h ARG 11 CO 0.09 0.56 0.52 0.00 -1.07 0.00 0.00 179.97 180.07 1tnp h ALA 12 N 1.51 1.98 -0.05 0.04 0.00 -1.30 -2.43 119.26 119.00 1tnp h ALA 12 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1tnp h ALA 12 Cb 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1tnp h ALA 12 CO 0.00 -0.18 -0.25 0.35 0.00 0.00 0.00 179.25 179.16 1tnp h PHE 13 N 0.54 0.36 -3.40 0.00 3.57 -1.39 -3.45 116.94 113.16 1tnp h PHE 13 Ca 0.39 -0.16 -0.37 0.00 3.53 0.00 0.00 57.97 61.36 1tnp h PHE 13 Cb 0.74 -0.06 0.17 0.00 2.79 0.00 0.00 35.95 39.59 1tnp h PHE 13 CO -0.00 0.88 0.24 1.28 -2.23 0.00 0.00 178.31 178.48 1tnp n LEU 14 N -4.50 0.00 -4.97 0.59 4.77 -0.92 -5.10 117.00 106.88 1tnp n LEU 14 Ca -0.08 -1.17 -0.19 0.00 -0.03 0.00 0.00 56.01 54.54 1tnp n LEU 14 Cb 0.47 -0.90 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1tnp n LEU 14 CO 0.40 -1.69 0.13 -0.44 -1.33 0.00 0.00 177.39 174.46 1tnp s SER 15 N -4.74 5.36 0.18 -1.43 0.01 -1.26 -4.96 113.70 106.86 1tnp s SER 15 Ca 0.65 -0.61 -0.05 0.00 1.31 0.00 0.00 55.95 57.26 1tnp s SER 15 Cb -0.04 -0.46 0.09 0.00 0.21 0.00 0.00 66.02 65.83 1tnp s SER 15 CO 0.48 -0.82 1.51 -0.33 0.41 0.00 0.00 173.24 174.48 1tnp h GLU 16 N 0.70 0.63 0.15 12.44 5.08 -1.99 -3.07 114.58 128.52 1tnp h GLU 16 Ca -0.39 -0.38 -0.33 0.00 -1.00 0.00 0.00 59.36 57.26 1tnp h GLU 16 Cb 1.28 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.56 1tnp h GLU 16 CO 0.49 0.99 -1.66 1.49 -1.00 0.00 0.00 179.01 179.32 1tnp h GLU 17 N 0.50 0.31 -0.60 2.33 4.81 -2.02 -3.34 114.58 116.57 1tnp h GLU 17 Ca 0.02 -0.54 0.03 0.00 -0.13 0.00 0.00 59.36 58.75 1tnp h GLU 17 Cb 1.05 0.20 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1tnp h GLU 17 CO 0.10 1.20 0.40 1.98 -0.73 0.00 0.00 179.01 181.96 1tnp h MET 18 N 0.09 0.68 -0.69 1.92 4.05 -1.96 -1.51 114.93 117.51 1tnp h MET 18 Ca -0.30 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.12 1tnp h MET 18 Cb 2.06 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 32.66 1tnp h MET 18 CO 0.17 0.45 0.42 0.82 0.23 0.00 0.00 176.91 178.99 1tnp h ILE 19 N 0.70 1.05 -0.75 1.77 1.08 -1.66 -1.85 117.51 117.85 1tnp h ILE 19 Ca 0.24 -0.27 0.11 0.00 -0.39 0.00 0.00 64.86 64.55 1tnp h ILE 19 Cb 0.10 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 33.98 1tnp h ILE 19 CO -0.07 0.15 0.49 0.00 -0.69 0.00 0.00 178.15 178.03 1tnp h ALA 20 N 1.31 1.89 -0.07 1.87 0.00 -1.45 -1.74 119.26 121.08 1tnp h ALA 20 Ca 0.29 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.97 1tnp h ALA 20 Cb 0.08 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1tnp h ALA 20 CO -0.13 -0.06 -0.86 1.49 0.00 0.00 0.00 179.25 179.69 1tnp h GLU 21 N 0.60 0.61 -0.43 0.00 4.22 -1.40 -3.17 114.58 115.01 1tnp h GLU 21 Ca 0.35 -0.56 0.06 0.00 0.08 0.00 0.00 59.36 59.29 1tnp h GLU 21 Cb 0.56 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.89 1tnp h GLU 21 CO -0.13 1.18 0.12 0.74 -2.18 0.00 0.00 179.01 178.74 1tnp h PHE 22 N 0.39 0.21 -0.88 0.92 0.04 -1.13 -2.52 116.94 113.97 1tnp h PHE 22 Ca -0.07 0.02 0.19 0.00 2.80 0.00 0.00 57.97 60.91 1tnp h PHE 22 Cb 1.48 -0.03 -0.11 0.00 2.20 0.00 0.00 35.95 39.50 1tnp h PHE 22 CO 0.08 0.06 0.43 -0.22 -0.60 0.00 0.00 178.31 178.05 1tnp h LYS 23 N 0.27 0.50 -0.32 1.51 3.64 -1.47 -2.15 116.57 118.55 1tnp h LYS 23 Ca 0.20 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.62 1tnp h LYS 23 Cb 0.22 -0.11 -0.08 0.00 -0.41 0.00 0.00 32.23 31.85 1tnp h LYS 23 CO -0.24 0.33 -0.32 0.00 -2.27 0.00 0.00 179.45 176.96 1tnp h ALA 24 N 1.64 -0.23 -0.38 5.00 0.00 -1.53 -1.36 119.26 122.39 1tnp h ALA 24 Ca 0.52 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.51 1tnp h ALA 24 Cb 0.88 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.33 1tnp h ALA 24 CO -0.45 -0.74 0.22 0.00 0.00 0.00 0.00 179.25 178.28 1tnp h ALA 25 N 0.66 1.66 -0.82 0.00 0.00 -1.49 -2.44 119.26 116.83 1tnp h ALA 25 Ca 0.15 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1tnp h ALA 25 Cb 0.54 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1tnp h ALA 25 CO -0.48 0.29 0.41 0.35 0.00 0.00 0.00 179.25 179.82 1tnp h PHE 26 N 0.53 1.17 0.00 0.00 3.57 -1.20 -2.48 116.94 118.53 1tnp h PHE 26 Ca 0.14 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.51 1tnp h PHE 26 Cb 0.00 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1tnp h PHE 26 CO 0.00 0.84 -0.36 0.22 -2.23 0.00 0.00 178.31 176.79 1tnp h ASP 27 N 1.16 0.00 -0.70 0.41 3.58 -1.21 -3.04 116.42 116.62 1tnp h ASP 27 Ca 0.28 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.72 1tnp h ASP 27 Cb 0.10 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.11 1tnp h ASP 27 CO -0.04 0.36 0.39 0.24 -2.88 0.00 0.00 179.24 177.30 1tnp h MET 28 N 0.00 0.98 -0.75 0.28 2.86 -1.31 -2.29 114.93 114.71 1tnp h MET 28 Ca -0.00 -0.11 -0.38 0.00 -2.06 0.00 0.00 59.70 57.15 1tnp h MET 28 Cb 0.97 -0.20 -0.23 0.00 0.06 0.00 0.00 31.60 32.21 1tnp h MET 28 CO 0.05 0.73 0.37 1.19 1.06 0.00 0.00 176.91 180.30 1tnp n PHE 29 N -4.36 2.33 -4.28 -0.22 3.72 -1.15 -4.93 117.46 108.57 1tnp n PHE 29 Ca 0.07 -1.71 -0.20 0.00 -0.05 0.00 0.00 57.45 55.56 1tnp n PHE 29 Cb 0.10 -0.77 -0.16 0.00 -0.94 0.00 0.00 39.48 37.71 1tnp n PHE 29 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1tnp s ASP 30 N -1.72 1.03 0.00 4.37 -1.08 -0.86 -4.94 116.67 113.47 1tnp s ASP 30 Ca 0.52 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.40 1tnp s ASP 30 Cb 0.45 -0.35 0.00 0.00 -1.46 0.00 0.00 42.92 41.56 1tnp s ASP 30 CO 0.07 0.02 0.34 0.00 0.52 0.00 0.00 175.17 176.12 1tnp n ALA 31 N 3.53 0.00 -3.50 3.66 0.00 -1.26 -4.90 120.51 118.03 1tnp n ALA 31 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.21 1tnp n ALA 31 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.93 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 -1.95 -0.84 0.00 0.00 2.15 -1.26 -5.02 116.67 109.75 1tnp s ASP 32 Ca 0.00 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.11 1tnp s ASP 32 Cb 0.00 1.92 0.00 0.00 -0.30 0.00 0.00 42.92 44.54 1tnp s ASP 32 CO 0.00 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 1tnp n GLY 33 N 5.42 1.24 0.59 2.66 0.00 -1.26 -5.07 105.19 108.77 1tnp n GLY 33 Ca -0.08 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -1.02 1.98 -0.02 0.00 -1.26 -5.10 105.19 99.77 1tnp n GLY 34 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.59 -0.75 3.80 -0.02 0.00 -1.26 -5.13 105.19 102.41 1tnp n GLY 35 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.99 0.00 0.00 1.61 1.47 -1.26 -4.03 116.67 112.47 1tnp s ASP 36 Ca 0.00 -1.07 0.00 0.00 1.18 0.00 0.00 52.55 52.66 1tnp s ASP 36 Cb 0.00 0.82 0.00 0.00 -0.34 0.00 0.00 42.92 43.40 1tnp s ASP 36 CO 0.00 -1.61 0.00 2.30 0.68 0.00 0.00 175.17 176.54 1tnp n ILE 37 N -0.52 0.00 -2.20 2.11 -5.35 -1.18 -4.99 119.36 107.24 1tnp n ILE 37 Ca -0.07 0.00 -0.29 0.00 -0.27 0.00 0.00 62.75 62.12 1tnp n ILE 37 Cb 0.60 0.00 0.02 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.22 5.89 0.15 7.28 0.15 -1.26 -3.78 113.70 121.90 1tnp s SER 38 Ca 0.00 1.05 0.04 0.00 0.70 0.00 0.00 55.95 57.74 1tnp s SER 38 Cb 0.00 -2.09 -0.09 0.00 -1.71 0.00 0.00 66.02 62.13 1tnp s SER 38 CO 0.00 -0.96 1.33 0.00 1.20 0.00 0.00 173.24 174.81 1tnp h THR 39 N -0.23 1.58 -0.27 6.45 1.03 -1.92 -3.14 112.91 116.41 1tnp h THR 39 Ca -0.45 -2.95 -0.11 0.00 -0.01 0.00 0.00 66.41 62.89 1tnp h THR 39 Cb 1.23 2.65 -0.01 0.00 -1.07 0.00 0.00 68.15 70.94 1tnp h THR 39 CO 0.62 0.85 -0.28 0.11 -0.01 0.00 0.00 175.52 176.81 1tnp h LYS 40 N 0.05 0.55 0.15 0.00 1.57 -1.95 -3.14 116.57 113.80 1tnp h LYS 40 Ca -0.04 -0.22 -0.29 0.00 -1.87 0.00 0.00 60.65 58.23 1tnp h LYS 40 Cb 1.63 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.93 1tnp h LYS 40 CO 0.14 0.77 -1.33 0.93 -0.57 0.00 0.00 179.45 179.39 1tnp h GLU 41 N 0.48 0.31 -0.99 3.15 4.39 -1.98 -3.35 114.58 116.59 1tnp h GLU 41 Ca 0.06 -0.54 0.20 0.00 0.34 0.00 0.00 59.36 59.43 1tnp h GLU 41 Cb 0.73 0.20 -0.19 0.00 -0.10 0.00 0.00 28.75 29.39 1tnp h GLU 41 CO 0.06 1.24 -0.22 1.25 -1.16 0.00 0.00 179.01 180.17 1tnp h LEU 42 N 0.09 -0.88 -0.07 1.33 5.85 -1.49 0.14 115.31 120.27 1tnp h LEU 42 Ca -0.17 0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1tnp h LEU 42 Cb 2.01 0.60 -0.03 0.00 0.37 0.00 0.00 40.66 43.62 1tnp h LEU 42 CO 0.21 -0.33 -0.20 1.23 -0.34 0.00 0.00 178.44 179.01 1tnp h GLY 43 N 0.00 -1.44 -1.67 3.75 0.00 -1.71 -1.60 103.07 100.40 1tnp h GLY 43 Ca 0.48 0.70 0.53 0.00 0.00 0.00 0.00 47.33 49.05 1tnp h GLY 43 CO -1.01 -0.46 1.30 -0.84 0.00 0.00 0.00 176.54 175.52 1tnp h THR 44 N -0.20 0.07 0.58 4.70 2.02 -0.94 -0.41 112.91 118.73 1tnp h THR 44 Ca 0.02 -0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.17 1tnp h THR 44 Cb 0.25 0.07 0.01 0.00 -1.74 0.00 0.00 68.15 66.73 1tnp h THR 44 CO -0.18 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 176.02 1tnp h VAL 45 N 0.01 0.36 -0.43 3.16 2.07 -0.79 -2.37 116.25 118.26 1tnp h VAL 45 Ca 0.88 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 68.14 1tnp h VAL 45 Cb 3.47 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 1tnp h VAL 45 CO -0.05 0.03 0.21 0.00 0.02 0.00 0.00 177.57 177.79 1tnp h MET 46 N -0.94 0.59 -0.32 1.57 -0.00 -1.06 -2.54 114.93 112.23 1tnp h MET 46 Ca -0.08 -0.06 -0.13 0.00 -0.00 0.00 0.00 59.70 59.42 1tnp h MET 46 Cb 0.65 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 32.12 1tnp h MET 46 CO 0.13 0.46 -0.34 -0.09 -0.00 0.00 0.00 176.91 177.07 1tnp h ARG 47 N 0.60 0.72 -0.67 -0.10 2.43 -1.42 -2.66 114.38 113.28 1tnp h ARG 47 Ca 0.15 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 58.98 1tnp h ARG 47 Cb 0.06 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 1tnp h ARG 47 CO -0.02 0.96 0.00 -0.12 -1.51 0.00 0.00 179.97 179.28 1tnp n MET 48 N -4.06 2.10 -0.05 0.20 1.56 -0.90 -3.17 117.12 112.80 1tnp n MET 48 Ca -0.01 -1.02 -0.06 0.00 -0.27 0.00 0.00 57.70 56.34 1tnp n MET 48 Cb 0.50 -1.59 -0.07 0.00 2.15 0.00 0.00 33.22 34.21 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 0.22 0.89 0.00 -0.89 4.77 -1.01 -5.03 117.00 115.96 1tnp n LEU 49 Ca 0.09 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 1tnp n LEU 49 Cb 0.46 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1tnp n LEU 49 CO 0.09 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1tnp n GLY 50 N 2.56 -0.21 3.02 -0.72 0.00 -1.18 -5.14 105.19 103.51 1tnp n GLY 50 Ca -0.17 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 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 0.34 -0.46 1.61 -0.21 -1.22 -5.03 119.66 114.68 1tnp s GLN 51 Ca 0.00 -0.45 0.08 0.00 0.02 0.00 0.00 55.36 55.01 1tnp s GLN 51 Cb 0.00 0.13 0.39 0.00 1.00 0.00 0.00 33.01 34.53 1tnp s GLN 51 CO 0.00 -0.07 0.97 0.27 -2.12 0.00 0.00 175.29 174.34 1tnp n ASN 52 N 1.73 3.57 -2.76 5.90 6.94 -1.26 -4.44 115.26 124.94 1tnp n ASN 52 Ca -0.22 -3.46 -0.10 0.00 -0.02 0.00 0.00 54.58 50.78 1tnp n ASN 52 Cb 0.56 -0.53 0.08 0.00 -2.36 0.00 0.00 39.78 37.52 1tnp n ASN 52 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 1tnp n PRO 53 N -0.22 -1.23 -4.12 -0.53 -0.04 -1.26 -5.09 135.00 122.51 1tnp n PRO 53 Ca 0.30 -0.61 -0.25 0.00 -0.04 0.00 0.00 63.50 62.90 1tnp n PRO 53 Cb 0.58 -0.50 -0.06 0.00 -0.04 0.00 0.00 33.50 33.49 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 -1.76 4.31 0.32 0.52 2.01 -1.26 -5.03 115.64 114.75 1tnp s THR 54 Ca 0.24 -1.27 0.03 0.00 0.31 0.00 0.00 61.69 60.99 1tnp s THR 54 Cb -0.02 -3.24 0.15 0.00 0.01 0.00 0.00 72.50 69.40 1tnp s THR 54 CO 0.18 -0.20 1.85 0.50 -0.69 0.00 0.00 174.62 176.26 1tnp h LYS 55 N 2.14 0.59 -0.57 4.92 3.64 -2.01 -2.48 116.57 122.80 1tnp h LYS 55 Ca -0.48 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 58.74 1tnp h LYS 55 Cb 1.22 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 1tnp h LYS 55 CO 0.62 0.61 0.23 1.05 -2.27 0.00 0.00 179.45 179.69 1tnp h GLU 56 N 0.56 0.81 -0.15 1.90 4.11 -2.02 -2.00 114.58 117.80 1tnp h GLU 56 Ca 0.12 -0.12 -0.10 0.00 0.07 0.00 0.00 59.36 59.34 1tnp h GLU 56 Cb 0.35 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1tnp h GLU 56 CO 0.01 0.66 -0.33 0.93 0.07 0.00 0.00 179.01 180.35 1tnp h GLU 57 N 0.81 0.30 -0.96 1.06 5.08 -1.86 -2.67 114.58 116.33 1tnp h GLU 57 Ca 0.19 -0.12 0.09 0.00 -1.00 0.00 0.00 59.36 58.52 1tnp h GLU 57 Cb 0.15 -0.01 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1tnp h GLU 57 CO -0.02 0.60 0.62 1.25 -1.00 0.00 0.00 179.01 180.46 1tnp h LEU 58 N 0.26 0.93 -0.97 1.33 6.46 -1.30 -1.55 115.31 120.47 1tnp h LEU 58 Ca 0.03 0.02 -0.10 0.00 -0.12 0.00 0.00 57.88 57.72 1tnp h LEU 58 Cb 0.71 -0.17 -0.01 0.00 -0.73 0.00 0.00 40.66 40.46 1tnp h LEU 58 CO 0.05 0.56 -0.34 0.44 -0.62 0.00 0.00 178.44 178.53 1tnp h ASP 59 N 1.03 0.33 0.35 1.25 3.32 -1.48 -3.12 116.42 118.10 1tnp h ASP 59 Ca 0.44 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.35 1tnp h ASP 59 Cb 0.32 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.78 1tnp h ASP 59 CO -0.19 0.65 -0.17 0.00 -1.72 0.00 0.00 179.24 177.81 1tnp h ALA 60 N 1.37 -0.47 -1.03 3.45 0.00 -1.30 -2.79 119.26 118.48 1tnp h ALA 60 Ca 0.03 -0.19 0.26 0.00 0.00 0.00 0.00 54.91 55.02 1tnp h ALA 60 Cb 0.74 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 18.60 1tnp h ALA 60 CO 0.06 -0.59 0.65 0.82 0.00 0.00 0.00 179.25 180.19 1tnp h ILE 61 N -0.82 0.52 -0.08 0.00 5.03 -1.52 0.12 117.51 120.76 1tnp h ILE 61 Ca -0.05 -0.16 -0.00 0.00 -0.12 0.00 0.00 64.86 64.53 1tnp h ILE 61 Cb 0.52 0.02 -0.00 0.00 -3.03 0.00 0.00 36.82 34.33 1tnp h ILE 61 CO 0.08 0.08 0.03 0.40 -0.68 0.00 0.00 178.15 178.06 1tnp h ILE 62 N 0.46 1.15 -0.90 -0.67 2.04 -1.46 -2.50 117.51 115.62 1tnp h ILE 62 Ca 0.62 -0.44 0.20 0.00 1.00 0.00 0.00 64.86 66.24 1tnp h ILE 62 Cb 1.43 1.29 -0.11 0.00 -0.74 0.00 0.00 36.82 38.69 1tnp h ILE 62 CO -0.37 0.13 0.44 -0.33 0.00 0.00 0.00 178.15 178.02 1tnp h GLU 63 N -0.03 0.50 -0.32 2.37 5.08 -0.49 0.32 114.58 122.00 1tnp h GLU 63 Ca 0.03 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.18 1tnp h GLU 63 Cb 0.17 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1tnp h GLU 63 CO -0.00 0.33 -0.48 1.49 -1.00 0.00 0.00 179.01 179.34 1tnp h GLU 64 N 0.51 0.89 -0.81 2.33 4.57 -1.31 -3.19 114.58 117.58 1tnp h GLU 64 Ca 0.54 -0.53 -0.54 0.00 -1.18 0.00 0.00 59.36 57.65 1tnp h GLU 64 Cb 0.94 0.05 -0.30 0.00 -0.16 0.00 0.00 28.75 29.28 1tnp h GLU 64 CO -0.46 1.18 0.16 0.28 -1.18 0.00 0.00 179.01 178.99 1tnp n VAL 65 N -4.04 3.07 -2.49 0.32 0.31 -0.25 -4.29 118.33 110.96 1tnp n VAL 65 Ca -0.04 -3.21 -0.03 0.00 -0.01 0.00 0.00 64.34 61.06 1tnp n VAL 65 Cb 0.60 -0.94 0.06 0.00 -0.91 0.00 0.00 33.84 32.65 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 -0.91 -0.94 0.08 4.52 -0.08 0.98 -4.90 116.55 115.30 1tnp n ASP 66 Ca 0.52 -2.13 -0.21 0.00 -1.51 0.00 0.00 54.79 51.46 1tnp n ASP 66 Cb 0.92 0.42 -0.12 0.00 2.34 0.00 0.00 41.12 44.69 1tnp n ASP 66 CO 0.00 0.00 0.00 1.05 0.12 0.00 0.00 177.20 178.37 1tnp h GLU 67 N 0.87 0.61 -3.23 -0.67 4.11 -1.74 -3.47 114.58 111.06 1tnp h GLU 67 Ca -0.44 -0.78 -0.02 0.00 0.07 0.00 0.00 59.36 58.19 1tnp h GLU 67 Cb 1.36 0.25 -0.10 0.00 0.50 0.00 0.00 28.75 30.75 1tnp h GLU 67 CO -0.17 1.34 0.07 -0.51 0.07 0.00 0.00 179.01 179.82 1tnp s ASP 68 N -7.37 -0.32 0.00 3.06 1.11 -1.26 -5.15 116.67 106.74 1tnp s ASP 68 Ca -0.09 -0.38 0.00 0.00 0.18 0.00 0.00 52.55 52.26 1tnp s ASP 68 Cb 0.06 0.58 0.00 0.00 1.07 0.00 0.00 42.92 44.64 1tnp s ASP 68 CO 0.92 -1.04 0.00 0.61 1.18 0.00 0.00 175.17 176.84 1tnp n GLY 69 N -0.35 -1.85 1.75 0.21 0.00 -1.26 -4.97 105.19 98.72 1tnp n GLY 69 Ca -0.12 -1.45 -0.13 0.00 0.00 0.00 0.00 46.02 44.32 1tnp n GLY 69 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1tnp n SER 70 N 0.52 0.07 -2.90 1.61 7.64 -1.26 -5.03 113.62 114.27 1tnp n SER 70 Ca 0.00 -1.23 -0.29 0.00 1.01 0.00 0.00 58.87 58.36 1tnp n SER 70 Cb 0.00 -0.45 -0.02 0.00 -1.01 0.00 0.00 64.21 62.73 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 1.08 5.77 3.33 0.23 0.00 -1.26 -4.88 105.19 109.46 1tnp n GLY 71 Ca 0.08 -2.75 -0.18 0.00 0.00 0.00 0.00 46.02 43.17 1tnp n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1tnp s THR 72 N -4.75 1.64 -0.03 2.61 -4.23 -1.26 -3.35 115.64 106.27 1tnp s THR 72 Ca 0.48 -2.15 -0.08 0.00 -1.18 0.00 0.00 61.69 58.76 1tnp s THR 72 Cb 0.31 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1tnp s THR 72 CO -0.16 -0.59 0.18 -0.51 -0.54 0.00 0.00 174.62 172.99 1tnp s ILE 73 N -2.93 0.04 0.58 2.99 2.07 -1.25 -4.96 121.20 117.75 1tnp s ILE 73 Ca 0.21 -0.37 0.07 0.00 -1.41 0.00 0.00 60.65 59.14 1tnp s ILE 73 Cb -0.01 -0.38 0.07 0.00 0.13 0.00 0.00 42.46 42.27 1tnp s ILE 73 CO 0.06 -0.20 0.56 1.51 -1.91 0.00 0.00 174.94 174.95 1tnp s ASP 74 N -0.73 4.74 0.40 4.50 1.47 -1.26 -3.11 116.67 122.68 1tnp s ASP 74 Ca -0.08 -1.17 0.20 0.00 1.18 0.00 0.00 52.55 52.67 1tnp s ASP 74 Cb -0.05 0.53 0.79 0.00 -0.34 0.00 0.00 42.92 43.85 1tnp s ASP 74 CO 0.01 -1.27 1.78 0.15 0.68 0.00 0.00 175.17 176.52 1tnp h PHE 75 N 0.48 0.00 0.00 2.11 3.57 -1.99 -2.58 116.94 118.52 1tnp h PHE 75 Ca -0.33 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.17 1tnp h PHE 75 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1tnp h PHE 75 CO 0.84 0.33 0.00 0.39 -2.23 0.00 0.00 178.31 177.64 1tnp n GLU 76 N -3.56 0.00 -0.30 1.11 1.02 -1.26 -2.26 120.64 115.40 1tnp n GLU 76 Ca -0.00 0.46 0.28 0.00 -0.02 0.00 0.00 57.16 57.87 1tnp n GLU 76 Cb 0.46 -1.27 0.64 0.00 -0.02 0.00 0.00 31.44 31.25 1tnp n GLU 76 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1tnp h GLU 77 N 0.00 0.18 -0.22 3.49 5.08 -1.95 -1.25 114.58 119.91 1tnp h GLU 77 Ca 0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1tnp h GLU 77 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1tnp h GLU 77 CO 0.00 0.12 0.07 0.35 -1.00 0.00 0.00 179.01 178.55 1tnp h PHE 78 N 0.18 0.13 -0.12 4.33 3.57 -1.40 -0.73 116.94 122.90 1tnp h PHE 78 Ca 0.55 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 62.02 1tnp h PHE 78 Cb 1.82 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.52 1tnp h PHE 78 CO -0.00 0.06 -0.13 -0.07 -2.23 0.00 0.00 178.31 175.94 1tnp h LEU 79 N 0.17 0.17 -1.10 0.59 3.38 -0.78 -2.76 115.31 114.99 1tnp h LEU 79 Ca 0.09 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.94 1tnp h LEU 79 Cb 0.07 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1tnp h LEU 79 CO -0.10 0.33 -0.36 0.58 0.09 0.00 0.00 178.44 178.98 1tnp h VAL 80 N 0.17 1.28 0.00 1.22 2.07 -0.88 -2.87 116.25 117.25 1tnp h VAL 80 Ca 0.04 -1.35 -0.25 0.00 0.82 0.00 0.00 66.70 65.95 1tnp h VAL 80 Cb 0.35 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.69 1tnp h VAL 80 CO 0.02 0.40 -1.46 0.24 0.02 0.00 0.00 177.57 176.79 1tnp h MET 81 N 0.15 0.00 0.19 1.57 2.86 -1.13 -3.14 114.93 115.43 1tnp h MET 81 Ca 0.02 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 1tnp h MET 81 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1tnp h MET 81 CO 0.05 0.59 -0.10 0.52 1.06 0.00 0.00 176.91 179.03 1tnp h MET 82 N 0.00 -0.26 0.00 1.72 2.07 -1.37 -1.91 114.93 115.18 1tnp h MET 82 Ca -0.20 0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.45 1tnp h MET 82 Cb 1.89 0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.68 1tnp h MET 82 CO 0.09 -0.18 0.00 1.55 1.07 0.00 0.00 176.91 179.44 1tnp n VAL 83 N -5.21 0.00 -0.21 -2.22 3.14 -1.09 -2.21 118.33 110.52 1tnp n VAL 83 Ca -0.09 1.15 0.20 0.00 -2.96 0.00 0.00 64.34 62.65 1tnp n VAL 83 Cb 0.14 -1.86 0.37 0.00 -1.06 0.00 0.00 33.84 31.42 1tnp n VAL 83 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1tnp n ARG 84 N -1.34 -0.03 0.29 1.45 1.74 -1.19 -0.93 116.66 116.65 1tnp n ARG 84 Ca 0.00 0.82 -0.12 0.00 -0.77 0.00 0.00 57.85 57.78 1tnp n ARG 84 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.89 1tnp n ARG 84 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 1tnp h GLN 85 N 0.00 -0.75 -1.05 5.56 1.08 -0.86 -2.80 115.11 116.28 1tnp h GLN 85 Ca 0.52 0.05 0.30 0.00 -1.45 0.00 0.00 58.65 58.06 1tnp h GLN 85 Cb 1.42 0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 28.97 1tnp h GLN 85 CO -0.43 -0.50 0.74 1.98 -0.95 0.00 0.00 178.83 179.67 1tnp h MET 86 N -1.07 0.10 0.44 1.46 4.05 -0.75 -0.03 114.93 119.12 1tnp h MET 86 Ca -0.08 -0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.31 1tnp h MET 86 Cb 0.60 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.38 1tnp h MET 86 CO 0.13 0.07 -0.21 -0.22 0.23 0.00 0.00 176.91 176.91 1tnp h LYS 87 N 0.10 -0.57 0.00 0.39 3.64 -1.47 -3.46 116.57 115.20 1tnp h LYS 87 Ca 0.52 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 1tnp h LYS 87 Cb 1.89 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 1tnp h LYS 87 CO -0.08 -0.27 0.00 -1.91 -2.27 0.00 0.00 179.45 174.93 1tnp n GLU 88 N -5.20 0.00 -0.04 1.90 2.13 -0.03 -4.93 120.64 114.47 1tnp n GLU 88 Ca -0.10 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.73 1tnp n GLU 88 Cb 0.29 0.00 -0.00 0.00 0.27 0.00 0.00 31.44 32.00 1tnp n GLU 88 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1tnp n ASP 89 N 4.73 -5.15 0.00 4.31 -0.08 -1.26 -5.06 116.55 114.04 1tnp n ASP 89 Ca 0.00 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.32 1tnp n ASP 89 Cb 0.00 -0.13 0.00 0.00 2.34 0.00 0.00 41.12 43.33 1tnp n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32