#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2a3d h GLY 2 N 0.00 0.00 0.93 3.17 0.00 -2.03 -2.06 103.07 103.08 2a3d h GLY 2 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2a3d h GLY 2 CO 0.00 0.00 -0.39 1.76 0.00 0.00 0.00 176.54 177.91 2a3d h SER 3 N 0.00 -0.95 0.40 0.19 0.02 -2.02 -1.70 113.55 109.49 2a3d h SER 3 Ca 0.14 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 2a3d h SER 3 Cb 0.85 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2a3d h SER 3 CO -0.00 -0.63 0.00 1.87 -1.14 0.00 0.00 176.83 176.93 2a3d n TRP 4 N -5.54 0.16 -0.09 3.45 -0.00 -0.80 -2.71 117.44 111.91 2a3d n TRP 4 Ca -0.14 0.07 -0.13 0.00 -0.00 0.00 0.00 57.50 57.29 2a3d n TRP 4 Cb 0.42 -0.61 -0.04 0.00 -0.00 0.00 0.00 31.31 31.08 2a3d n TRP 4 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2a3d h ALA 5 N 2.33 0.41 0.02 5.87 0.00 -1.05 -2.80 119.26 124.04 2a3d h ALA 5 Ca 0.00 -0.42 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 2a3d h ALA 5 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2a3d h ALA 5 CO 0.00 0.45 -0.94 1.49 0.00 0.00 0.00 179.25 180.25 2a3d h GLU 6 N 0.44 0.15 0.00 0.00 4.57 -1.41 -3.18 114.58 115.16 2a3d h GLU 6 Ca 0.04 -0.19 -0.04 0.00 -1.18 0.00 0.00 59.36 57.99 2a3d h GLU 6 Cb 0.89 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 2a3d h GLU 6 CO 0.08 0.98 -0.21 0.74 -1.18 0.00 0.00 179.01 179.42 2a3d h PHE 7 N 0.07 0.00 -0.02 0.92 -1.00 -1.54 -2.44 116.94 112.94 2a3d h PHE 7 Ca -0.05 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.54 2a3d h PHE 7 Cb 1.60 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 41.15 2a3d h PHE 7 CO 0.03 0.21 -0.82 -0.22 -1.61 0.00 0.00 178.31 175.89 2a3d h LYS 8 N 0.00 0.25 0.00 1.51 3.64 -1.47 -3.05 116.57 117.45 2a3d h LYS 8 Ca -0.00 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.10 2a3d h LYS 8 Cb 0.40 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2a3d h LYS 8 CO 0.03 0.94 -0.17 1.96 -2.27 0.00 0.00 179.45 179.94 2a3d h GLN 9 N 0.15 0.00 0.04 1.90 4.20 -1.46 -3.12 115.11 116.81 2a3d h GLN 9 Ca -0.04 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.52 2a3d h GLN 9 Cb 1.42 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.21 2a3d h GLN 9 CO 0.13 0.17 -0.63 0.00 -0.67 0.00 0.00 178.83 177.83 2a3d h ARG 10 N 0.00 0.36 -0.21 1.46 -0.00 -1.41 -2.81 114.38 111.77 2a3d h ARG 10 Ca -0.00 -0.44 0.06 0.00 -0.50 0.00 0.00 59.98 59.10 2a3d h ARG 10 Cb 0.67 0.14 -0.01 0.00 0.00 0.00 0.00 29.97 30.76 2a3d h ARG 10 CO 0.02 1.13 0.15 -0.07 0.00 0.00 0.00 179.97 181.20 2a3d h LEU 11 N -0.21 0.02 -0.03 3.04 -0.00 -1.49 -0.27 115.31 116.37 2a3d h LEU 11 Ca -0.09 -0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.62 2a3d h LEU 11 Cb 1.38 -0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.01 2a3d h LEU 11 CO 0.12 0.01 -0.83 0.00 -0.00 0.00 0.00 178.44 177.74 2a3d h ALA 12 N 1.90 0.47 -0.15 1.53 0.00 -1.56 -3.22 119.26 118.23 2a3d h ALA 12 Ca 0.10 -0.76 -0.06 0.00 0.00 0.00 0.00 54.91 54.19 2a3d h ALA 12 Cb 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2a3d h ALA 12 CO -0.00 1.04 -0.16 0.00 0.00 0.00 0.00 179.25 180.13 2a3d h ALA 13 N 1.17 1.46 0.00 0.00 0.00 -0.78 -1.71 119.26 119.41 2a3d h ALA 13 Ca -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2a3d h ALA 13 Cb 1.63 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2a3d h ALA 13 CO 0.11 0.38 -0.05 -0.89 0.00 0.00 0.00 179.25 178.80 2a3d n ILE 14 N -4.25 0.08 0.09 0.00 5.41 -1.09 -3.41 119.36 116.18 2a3d n ILE 14 Ca -0.01 -0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.63 2a3d n ILE 14 Cb 0.29 -0.44 -0.02 0.00 -0.71 0.00 0.00 39.64 38.76 2a3d n ILE 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 2a3d h LYS 15 N 0.00 0.11 0.01 0.38 3.64 -1.35 -2.99 116.57 116.37 2a3d h LYS 15 Ca 0.00 -0.13 -0.14 0.00 -1.27 0.00 0.00 60.65 59.11 2a3d h LYS 15 Cb 0.53 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2a3d h LYS 15 CO 0.00 0.93 -0.75 1.15 -2.27 0.00 0.00 179.45 178.51 2a3d h THR 16 N 0.05 1.30 -0.25 1.00 2.02 -1.60 -3.16 112.91 112.28 2a3d h THR 16 Ca -0.03 -2.28 0.04 0.00 0.77 0.00 0.00 66.41 64.91 2a3d h THR 16 Cb 1.56 2.77 -0.04 0.00 -1.74 0.00 0.00 68.15 70.69 2a3d h THR 16 CO 0.13 0.48 -0.01 0.03 0.37 0.00 0.00 175.52 176.51 2a3d h ARG 17 N -0.92 0.06 0.00 6.66 -0.00 -1.70 0.97 114.38 119.45 2a3d h ARG 17 Ca -0.20 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.28 2a3d h ARG 17 Cb 1.23 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.18 2a3d h ARG 17 CO -0.09 0.04 0.00 -0.11 0.00 0.00 0.00 179.97 179.81 2a3d n LEU 18 N -5.16 0.00 0.27 3.04 7.94 -1.13 -2.20 117.00 119.76 2a3d n LEU 18 Ca -0.01 0.42 0.16 0.00 -1.11 0.00 0.00 56.01 55.47 2a3d n LEU 18 Cb 0.13 -0.42 0.63 0.00 0.53 0.00 0.00 43.42 44.29 2a3d n LEU 18 CO 0.24 -0.21 0.97 -0.61 -1.11 0.00 0.00 177.39 176.67 2a3d h GLN 19 N 0.00 0.00 0.00 1.96 4.15 -0.76 -3.37 115.11 117.09 2a3d h GLN 19 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2a3d h GLN 19 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 2a3d h GLN 19 CO 0.00 0.01 0.00 0.00 -1.93 0.00 0.00 178.83 176.91 2a3d n ALA 20 N -2.10 0.00 -1.16 3.38 0.00 -0.94 -4.94 120.51 114.76 2a3d n ALA 20 Ca 0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 53.44 53.28 2a3d n ALA 20 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.76 2a3d n ALA 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2a3d n LEU 21 N -1.95 0.27 0.04 0.00 4.77 -1.24 -4.77 117.00 114.12 2a3d n LEU 21 Ca 0.00 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.02 2a3d n LEU 21 Cb 0.00 -2.46 0.04 0.00 -2.33 0.00 0.00 43.42 38.67 2a3d n LEU 21 CO 0.00 -0.95 0.39 1.23 -1.33 0.00 0.00 177.39 176.72 2a3d h GLY 22 N 0.00 0.48 1.22 -0.72 0.00 -1.90 -2.96 103.07 99.20 2a3d h GLY 22 Ca -0.11 -0.64 -0.31 0.00 0.00 0.00 0.00 47.33 46.26 2a3d h GLY 22 CO 0.16 0.58 -1.54 -1.33 0.00 0.00 0.00 176.54 174.41 2a3d h GLY 23 N 1.22 0.32 0.00 4.60 0.00 -1.94 -3.46 103.07 103.80 2a3d h GLY 23 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.50 2a3d h GLY 23 CO 0.12 0.71 0.00 -1.14 0.00 0.00 0.00 176.54 176.22 2a3d n SER 24 N -3.48 0.00 -0.30 0.19 3.41 -1.12 -3.37 113.62 108.95 2a3d n SER 24 Ca -0.17 0.00 0.18 0.00 -0.26 0.00 0.00 58.87 58.62 2a3d n SER 24 Cb 1.05 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 65.33 2a3d n SER 24 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2a3d n GLU 25 N 0.00 -0.07 0.00 4.33 2.13 -1.25 0.16 120.64 125.95 2a3d n GLU 25 Ca 0.00 1.31 0.12 0.00 0.66 0.00 0.00 57.16 59.25 2a3d n GLU 25 Cb 0.00 -2.16 0.16 0.00 0.27 0.00 0.00 31.44 29.71 2a3d n GLU 25 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2a3d n ALA 26 N -2.97 3.40 -0.38 4.31 0.00 -1.22 -3.81 120.51 119.84 2a3d n ALA 26 Ca 0.25 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2a3d n ALA 26 Cb 0.82 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.33 2a3d n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2a3d n GLU 27 N -0.36 0.00 -0.06 0.00 -0.58 0.43 -4.54 120.64 115.53 2a3d n GLU 27 Ca 0.10 0.07 0.01 0.00 -0.42 0.00 0.00 57.16 56.92 2a3d n GLU 27 Cb 0.41 -0.42 0.03 0.00 -0.57 0.00 0.00 31.44 30.89 2a3d n GLU 27 CO 0.00 0.00 0.00 1.47 -0.48 0.00 0.00 177.13 178.12 2a3d n LEU 28 N -1.97 0.90 -0.03 -4.62 -0.00 -0.51 -3.51 117.00 107.26 2a3d n LEU 28 Ca 0.00 -0.45 -0.15 0.00 -0.00 0.00 0.00 56.01 55.41 2a3d n LEU 28 Cb 0.00 -0.29 -0.11 0.00 -0.00 0.00 0.00 43.42 43.02 2a3d n LEU 28 CO 0.00 0.19 0.41 0.00 -0.00 0.00 0.00 177.39 177.99 2a3d h ALA 29 N 2.62 0.05 0.00 1.47 0.00 -1.66 -2.94 119.26 118.80 2a3d h ALA 29 Ca 0.00 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2a3d h ALA 29 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2a3d h ALA 29 CO 0.02 0.10 -0.25 0.00 0.00 0.00 0.00 179.25 179.12 2a3d h ALA 30 N 0.30 1.27 -0.27 0.00 0.00 -1.83 -2.97 119.26 115.76 2a3d h ALA 30 Ca -0.03 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 54.71 2a3d h ALA 30 Cb 0.98 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2a3d h ALA 30 CO 0.05 0.31 -0.36 0.74 0.00 0.00 0.00 179.25 180.00 2a3d h PHE 31 N 0.00 -1.00 -0.88 0.00 -1.00 -1.63 0.51 116.94 112.93 2a3d h PHE 31 Ca -0.00 0.05 0.19 0.00 2.81 0.00 0.00 57.97 61.02 2a3d h PHE 31 Cb 0.56 0.48 -0.11 0.00 3.61 0.00 0.00 35.95 40.49 2a3d h PHE 31 CO 0.00 -0.41 0.42 0.93 -1.61 0.00 0.00 178.31 177.64 2a3d h GLU 32 N -0.35 0.49 0.00 1.51 4.39 -1.51 1.23 114.58 120.34 2a3d h GLU 32 Ca 0.13 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2a3d h GLU 32 Cb 0.56 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2a3d h GLU 32 CO -0.46 0.33 0.00 0.87 -1.16 0.00 0.00 179.01 178.58 2a3d h LYS 33 N 0.51 0.00 0.00 2.33 1.57 -1.00 -2.97 116.57 117.01 2a3d h LYS 33 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 2a3d h LYS 33 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2a3d h LYS 33 CO -0.45 0.00 -0.00 1.49 -0.57 0.00 0.00 179.45 179.91 2a3d h GLU 34 N 0.00 0.00 -1.34 3.15 4.57 0.22 -3.27 114.58 117.90 2a3d h GLU 34 Ca 0.00 0.00 0.39 0.00 -1.18 0.00 0.00 59.36 58.57 2a3d h GLU 34 Cb 0.13 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.67 2a3d h GLU 34 CO 0.00 0.00 1.14 0.97 -1.18 0.00 0.00 179.01 179.94 2a3d h ILE 35 N -0.02 0.12 -0.17 2.32 6.09 -1.51 0.71 117.51 125.04 2a3d h ILE 35 Ca 0.00 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.47 2a3d h ILE 35 Cb 0.00 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 37.44 2a3d h ILE 35 CO 0.00 0.00 0.01 0.00 -3.07 0.00 0.00 178.15 175.09 2a3d h ALA 36 N 0.98 0.23 0.00 0.18 0.00 -1.64 -2.06 119.26 116.96 2a3d h ALA 36 Ca 0.64 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2a3d h ALA 36 Cb 2.90 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 20.63 2a3d h ALA 36 CO -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2a3d n ALA 37 N -2.30 2.32 0.18 0.00 0.00 0.24 -2.86 120.51 118.09 2a3d n ALA 37 Ca -0.05 -0.13 0.08 0.00 0.00 0.00 0.00 53.44 53.34 2a3d n ALA 37 Cb 0.21 -1.40 0.11 0.00 0.00 0.00 0.00 19.45 18.36 2a3d n ALA 37 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 2a3d h PHE 38 N 0.00 0.00 0.00 0.00 -1.00 -0.68 -2.81 116.94 112.45 2a3d h PHE 38 Ca 0.00 0.00 -0.22 0.00 2.81 0.00 0.00 57.97 60.56 2a3d h PHE 38 Cb 0.11 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.64 2a3d h PHE 38 CO 0.00 0.22 -1.34 -1.91 -1.61 0.00 0.00 178.31 173.67 2a3d n GLU 39 N -3.15 0.55 0.22 1.51 2.13 -1.13 -2.38 120.64 118.38 2a3d n GLU 39 Ca 0.03 0.50 0.09 0.00 0.66 0.00 0.00 57.16 58.44 2a3d n GLU 39 Cb 0.62 -1.68 0.64 0.00 0.27 0.00 0.00 31.44 31.29 2a3d n GLU 39 CO 0.00 0.00 0.00 0.77 -0.41 0.00 0.00 177.13 177.49 2a3d h SER 40 N -1.00 0.01 0.45 4.31 0.02 -1.70 -2.35 113.55 113.29 2a3d h SER 40 Ca -0.34 -0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.31 2a3d h SER 40 Cb 1.21 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2a3d h SER 40 CO -0.20 0.01 -1.67 -0.08 -1.14 0.00 0.00 176.83 173.75 2a3d h GLU 41 N 0.02 0.11 -1.32 3.45 4.81 -1.66 -3.27 114.58 116.71 2a3d h GLU 41 Ca 0.03 -0.19 0.38 0.00 -0.13 0.00 0.00 59.36 59.46 2a3d h GLU 41 Cb 0.12 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 2a3d h GLU 41 CO -0.00 0.82 0.93 1.25 -0.73 0.00 0.00 179.01 181.28 2a3d h LEU 42 N 0.03 0.10 0.00 1.64 5.85 -1.04 0.92 115.31 122.81 2a3d h LEU 42 Ca -0.28 0.03 -0.31 0.00 0.84 0.00 0.00 57.88 58.16 2a3d h LEU 42 Cb 2.00 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.99 2a3d h LEU 42 CO 0.10 -0.01 -2.01 0.00 -0.34 0.00 0.00 178.44 176.19 2a3d n GLN 43 N -4.26 0.66 -0.24 1.25 6.02 -1.23 -4.18 117.38 115.39 2a3d n GLN 43 Ca 0.30 0.13 0.10 0.00 -0.01 0.00 0.00 57.00 57.52 2a3d n GLN 43 Cb 1.35 -1.66 0.26 0.00 1.02 0.00 0.00 30.24 31.22 2a3d n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2a3d n ALA 44 N -2.62 2.42 0.53 -1.58 0.00 0.81 -4.17 120.51 115.91 2a3d n ALA 44 Ca -0.23 -0.95 0.13 0.00 0.00 0.00 0.00 53.44 52.39 2a3d n ALA 44 Cb 1.07 -0.95 0.38 0.00 0.00 0.00 0.00 19.45 19.94 2a3d n ALA 44 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 2a3d h TYR 45 N 3.48 0.00 -0.89 0.00 -0.00 0.51 -3.48 116.97 116.60 2a3d h TYR 45 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 2a3d h TYR 45 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.52 2a3d h TYR 45 CO 0.32 0.00 0.00 1.17 -0.00 0.00 0.00 178.16 179.65 2a3d n LYS 46 N -2.43 0.00 -0.09 0.10 4.81 -1.26 -4.95 118.16 114.35 2a3d n LYS 46 Ca 0.05 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.43 2a3d n LYS 46 Cb 0.43 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.48 2a3d n LYS 46 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2a3d h GLY 47 N 0.00 0.25 0.00 3.14 0.00 -1.92 -3.43 103.07 101.12 2a3d h GLY 47 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2a3d h GLY 47 CO 0.00 -0.11 0.00 0.58 0.00 0.00 0.00 176.54 177.01 2a3d n LYS 48 N -5.24 0.00 -1.56 4.80 2.85 -1.26 -4.96 118.16 112.80 2a3d n LYS 48 Ca 0.00 0.00 -0.18 0.00 -1.05 0.00 0.00 58.31 57.08 2a3d n LYS 48 Cb 0.18 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.49 2a3d n LYS 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2a3d n GLY 49 N 0.00 -0.08 0.10 2.58 0.00 -1.26 -4.71 105.19 101.82 2a3d n GLY 49 Ca 0.00 0.39 -0.20 0.00 0.00 0.00 0.00 46.02 46.21 2a3d n GLY 49 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2a3d h ASN 50 N 14.23 0.05 0.19 1.61 2.35 -1.97 -3.29 115.58 128.75 2a3d h ASN 50 Ca -0.05 -0.67 -0.25 0.00 -0.55 0.00 0.00 56.30 54.77 2a3d h ASN 50 Cb 1.06 -0.02 0.03 0.00 0.05 0.00 0.00 38.32 39.44 2a3d h ASN 50 CO 1.04 1.40 -1.12 1.55 -1.65 0.00 0.00 177.43 178.65 2a3d h PRO 51 N -0.89 0.40 0.10 0.81 0.13 -1.98 -2.34 132.00 128.22 2a3d h PRO 51 Ca -0.27 -0.68 0.00 0.00 -0.87 0.00 0.00 66.00 64.18 2a3d h PRO 51 Cb 1.30 0.25 -0.02 0.00 0.13 0.00 0.00 31.00 32.67 2a3d h PRO 51 CO -0.12 1.33 -0.20 0.93 -0.23 0.00 0.00 178.00 179.70 2a3d h GLU 52 N -0.15 -0.31 0.00 0.86 5.08 -1.94 -1.24 114.58 116.87 2a3d h GLU 52 Ca -0.20 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2a3d h GLU 52 Cb 1.87 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.19 2a3d h GLU 52 CO 0.20 -0.21 0.00 1.55 -1.00 0.00 0.00 179.01 179.55 2a3d n VAL 53 N -3.59 0.53 -0.18 3.13 3.14 -1.24 -3.49 118.33 116.62 2a3d n VAL 53 Ca -0.04 0.13 -0.01 0.00 -2.96 0.00 0.00 64.34 61.47 2a3d n VAL 53 Cb 0.17 -0.81 0.08 0.00 -1.06 0.00 0.00 33.84 32.22 2a3d n VAL 53 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2a3d h GLU 54 N 0.00 0.15 -0.82 1.45 4.81 -0.64 0.34 114.58 119.87 2a3d h GLU 54 Ca 0.00 -0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.41 2a3d h GLU 54 Cb 0.23 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.52 2a3d h GLU 54 CO 0.00 0.10 0.56 0.00 -0.73 0.00 0.00 179.01 178.94 2a3d h ALA 55 N 1.48 2.27 0.00 2.92 0.00 -1.63 0.99 119.26 125.30 2a3d h ALA 55 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2a3d h ALA 55 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2a3d h ALA 55 CO -0.43 -0.52 0.00 -0.11 0.00 0.00 0.00 179.25 178.19 2a3d n LEU 56 N -4.46 0.00 0.09 0.00 0.00 0.12 -2.55 117.00 110.19 2a3d n LEU 56 Ca 0.17 0.23 0.04 0.00 0.00 0.00 0.00 56.01 56.45 2a3d n LEU 56 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 43.42 43.84 2a3d n LEU 56 CO 0.33 -0.07 0.02 -0.09 0.00 0.00 0.00 177.39 177.58 2a3d h ARG 57 N 0.00 0.00 0.16 1.96 2.43 0.12 -2.92 114.38 116.14 2a3d h ARG 57 Ca 0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.82 2a3d h ARG 57 Cb 0.16 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.71 2a3d h ARG 57 CO 0.00 0.24 -1.83 0.87 -1.51 0.00 0.00 179.97 177.74 2a3d h LYS 58 N 0.00 0.34 -0.05 0.20 6.56 -1.50 -3.24 116.57 118.87 2a3d h LYS 58 Ca -0.08 -0.58 -0.03 0.00 -1.06 0.00 0.00 60.65 58.91 2a3d h LYS 58 Cb 1.36 0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 33.23 2a3d h LYS 58 CO 0.04 1.26 -0.07 1.49 -2.06 0.00 0.00 179.45 180.10 2a3d h GLU 59 N 0.09 0.13 -0.08 3.15 4.81 -1.69 -2.91 114.58 118.09 2a3d h GLU 59 Ca -0.37 -0.08 0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2a3d h GLU 59 Cb 2.07 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 31.46 2a3d h GLU 59 CO 0.14 0.64 0.13 0.00 -0.73 0.00 0.00 179.01 179.19 2a3d h ALA 60 N 0.49 1.48 0.35 2.92 0.00 -1.69 -2.22 119.26 120.58 2a3d h ALA 60 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2a3d h ALA 60 Cb 0.63 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2a3d h ALA 60 CO 0.02 -0.17 -0.17 0.00 0.00 0.00 0.00 179.25 178.93 2a3d h ALA 61 N 1.81 -0.47 0.00 0.00 0.00 -1.54 -2.40 119.26 116.66 2a3d h ALA 61 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2a3d h ALA 61 Cb 0.30 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2a3d h ALA 61 CO -0.00 -0.66 0.00 0.00 0.00 0.00 0.00 179.25 178.59 2a3d h ALA 62 N -0.09 1.00 0.00 0.00 0.00 -1.45 -1.29 119.26 117.43 2a3d h ALA 62 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2a3d h ALA 62 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2a3d h ALA 62 CO 0.08 0.00 0.00 0.82 0.00 0.00 0.00 179.25 180.15 2a3d h ILE 63 N 0.00 0.00 0.00 0.00 2.04 -1.16 -2.97 117.51 115.42 2a3d h ILE 63 Ca 0.00 -0.40 -0.15 0.00 1.00 0.00 0.00 64.86 65.31 2a3d h ILE 63 Cb 0.19 1.27 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2a3d h ILE 63 CO 0.00 0.00 -0.93 0.03 0.00 0.00 0.00 178.15 177.25 2a3d h ARG 64 N 0.00 0.00 0.60 2.37 2.47 -1.12 -3.28 114.38 115.42 2a3d h ARG 64 Ca 0.00 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2a3d h ARG 64 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.88 2a3d h ARG 64 CO 0.00 0.73 -0.32 -0.44 0.56 0.00 0.00 179.97 180.50 2a3d h ASP 65 N -1.00 -0.76 -0.31 7.04 5.19 -1.64 -1.25 116.42 123.68 2a3d h ASP 65 Ca -0.23 0.03 0.09 0.00 -0.62 0.00 0.00 57.03 56.31 2a3d h ASP 65 Cb 1.04 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2a3d h ASP 65 CO -0.14 -0.52 0.44 -0.08 -3.12 0.00 0.00 179.24 175.82 2a3d h GLU 66 N -0.84 0.00 0.00 3.56 4.57 -1.74 0.86 114.58 120.98 2a3d h GLU 66 Ca -0.08 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2a3d h GLU 66 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2a3d h GLU 66 CO 0.12 0.00 0.00 1.25 -1.18 0.00 0.00 179.01 179.20 2a3d h LEU 67 N 0.00 0.00 -1.06 1.64 5.85 -1.30 -3.18 115.31 117.26 2a3d h LEU 67 Ca 0.15 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 2a3d h LEU 67 Cb 1.03 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 2a3d h LEU 67 CO -0.00 0.00 -0.32 -0.61 -0.34 0.00 0.00 178.44 177.17 2a3d h GLN 68 N 0.00 0.00 0.16 1.25 -0.00 0.12 -3.17 115.11 113.47 2a3d h GLN 68 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.32 2a3d h GLN 68 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.31 2a3d h GLN 68 CO 0.00 0.32 -1.66 0.00 0.00 0.00 0.00 178.83 177.49 2a3d h ALA 69 N 1.68 0.19 0.00 3.38 0.00 -1.62 -3.30 119.26 119.60 2a3d h ALA 69 Ca -0.00 -1.12 0.00 0.00 0.00 0.00 0.00 54.91 53.79 2a3d h ALA 69 Cb 0.81 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2a3d h ALA 69 CO 0.04 1.06 0.20 1.88 0.00 0.00 0.00 179.25 182.43 2a3d h TYR 70 N 0.09 0.00 -0.67 0.00 0.05 -1.59 -1.51 116.97 113.35 2a3d h TYR 70 Ca -0.30 0.00 0.19 0.00 0.05 0.00 0.00 58.73 58.66 2a3d h TYR 70 Cb 2.07 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 39.79 2a3d h TYR 70 CO 0.09 0.00 0.48 -0.09 -1.05 0.00 0.00 178.16 177.58 2a3d h ARG 71 N 0.00 0.03 -1.03 4.88 1.12 -1.63 -3.12 114.38 114.62 2a3d h ARG 71 Ca 0.00 -0.00 -0.36 0.00 -1.11 0.00 0.00 59.98 58.51 2a3d h ARG 71 Cb 0.41 -0.01 -0.34 0.00 -0.01 0.00 0.00 29.97 30.02 2a3d h ARG 71 CO 0.00 0.02 -1.01 -2.39 -3.11 0.00 0.00 179.97 173.49 2a3d n HIS 72 N -4.35 -0.01 0.76 2.20 1.44 -0.57 -3.80 115.22 110.88 2a3d n HIS 72 Ca 0.13 -2.88 0.09 0.00 -2.01 0.00 0.00 57.72 53.05 2a3d n HIS 72 Cb 0.72 0.09 0.08 0.00 0.12 0.00 0.00 29.99 30.99 2a3d n HIS 72 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82