#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x59 s SER 2 N 0.00 0.60 -0.10 1.61 0.15 -1.26 -5.11 113.70 109.58 1x59 s SER 2 Ca 0.00 -1.02 -0.29 0.00 0.70 0.00 0.00 55.95 55.34 1x59 s SER 2 Cb 0.00 0.92 -0.07 0.00 -1.71 0.00 0.00 66.02 65.16 1x59 s SER 2 CO 0.00 -0.29 2.07 -0.55 1.20 0.00 0.00 173.24 175.67 1x59 s SER 3 N 1.92 5.97 0.00 5.45 0.15 -1.26 -4.70 113.70 121.24 1x59 s SER 3 Ca 0.14 2.24 0.00 0.00 0.70 0.00 0.00 55.95 59.03 1x59 s SER 3 Cb -0.13 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1x59 s SER 3 CO -0.15 -1.50 0.00 0.61 1.20 0.00 0.00 173.24 173.40 1x59 n GLY 4 N 5.13 -1.15 3.39 9.45 0.00 -1.26 -5.10 105.19 115.64 1x59 n GLY 4 Ca 0.25 -1.31 -0.55 0.00 0.00 0.00 0.00 46.02 44.40 1x59 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x59 n SER 5 N 3.00 1.55 -4.05 1.61 2.88 -1.26 -4.92 113.62 112.43 1x59 n SER 5 Ca 0.00 0.58 -0.10 0.00 -1.33 0.00 0.00 58.87 58.02 1x59 n SER 5 Cb 0.00 -1.10 -0.08 0.00 -0.75 0.00 0.00 64.21 62.28 1x59 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x59 s SER 6 N 6.43 0.12 0.00 -3.46 0.01 -1.26 -5.03 113.70 110.52 1x59 s SER 6 Ca 1.13 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 57.34 1x59 s SER 6 Cb -1.15 0.40 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1x59 s SER 6 CO 0.58 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 173.98 1x59 n GLY 7 N -0.20 0.42 0.12 3.44 0.00 -1.26 -5.00 105.19 102.71 1x59 n GLY 7 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 1x59 n GLY 7 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1x59 h MET 8 N 0.00 -0.21 -0.53 1.61 1.85 -1.99 -1.24 114.93 114.42 1x59 h MET 8 Ca 0.00 0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.08 1x59 h MET 8 Cb 0.00 0.05 -0.03 0.00 0.43 0.00 0.00 31.60 32.05 1x59 h MET 8 CO 0.00 -0.03 0.24 0.00 -0.40 0.00 0.00 176.91 176.73 1x59 h ALA 9 N 0.46 1.44 0.00 0.39 0.00 -1.99 -0.45 119.26 119.11 1x59 h ALA 9 Ca -0.02 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1x59 h ALA 9 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1x59 h ALA 9 CO 0.04 0.44 -0.38 0.93 0.00 0.00 0.00 179.25 180.28 1x59 h GLU 10 N 0.74 0.00 0.01 0.00 5.08 -1.91 -1.40 114.58 117.10 1x59 h GLU 10 Ca 0.18 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 1x59 h GLU 10 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.35 1x59 h GLU 10 CO -0.02 0.38 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.82 1x59 h ARG 11 N 0.00 0.29 -0.92 2.33 9.65 -0.47 -3.25 114.38 122.01 1x59 h ARG 11 Ca -0.00 -0.33 0.06 0.00 -1.10 0.00 0.00 59.98 58.61 1x59 h ARG 11 Cb 0.79 0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 29.41 1x59 h ARG 11 CO 0.05 1.03 0.60 0.00 2.80 0.00 0.00 179.97 184.45 1x59 h ALA 12 N 0.27 1.48 -0.67 2.80 0.00 -0.81 0.49 119.26 122.81 1x59 h ALA 12 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1x59 h ALA 12 Cb 1.20 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 1x59 h ALA 12 CO 0.09 0.39 0.35 0.00 0.00 0.00 0.00 179.25 180.08 1x59 h ALA 13 N 1.49 1.35 0.19 0.00 0.00 -1.39 -0.91 119.26 120.00 1x59 h ALA 13 Ca 0.39 -0.11 -0.31 0.00 0.00 0.00 0.00 54.91 54.87 1x59 h ALA 13 Cb 0.15 -0.27 0.03 0.00 0.00 0.00 0.00 17.79 17.70 1x59 h ALA 13 CO -0.14 0.52 -1.36 -0.07 0.00 0.00 0.00 179.25 178.20 1x59 h LEU 14 N 0.94 0.74 -1.06 0.00 3.38 -1.14 -2.75 115.31 115.42 1x59 h LEU 14 Ca 0.24 -0.76 0.04 0.00 0.09 0.00 0.00 57.88 57.49 1x59 h LEU 14 Cb 0.05 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1x59 h LEU 14 CO -0.04 1.59 0.63 -0.33 0.09 0.00 0.00 178.44 180.38 1x59 h GLU 15 N 0.16 1.16 0.05 1.13 4.39 -0.92 -1.27 114.58 119.27 1x59 h GLU 15 Ca -0.21 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.44 1x59 h GLU 15 Cb 2.06 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 30.42 1x59 h GLU 15 CO 0.25 0.77 -0.16 0.93 -1.16 0.00 0.00 179.01 179.64 1x59 h GLU 16 N 1.19 -0.28 -0.51 2.33 5.08 -1.05 0.77 114.58 122.12 1x59 h GLU 16 Ca 0.39 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 1x59 h GLU 16 Cb 0.05 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1x59 h GLU 16 CO -0.13 -0.19 0.28 -0.07 -1.00 0.00 0.00 179.01 177.90 1x59 h LEU 17 N -0.29 0.42 -0.02 1.33 3.38 -1.16 -0.36 115.31 118.61 1x59 h LEU 17 Ca 0.04 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1x59 h LEU 17 Cb 0.33 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1x59 h LEU 17 CO -0.12 0.29 0.01 0.58 0.09 0.00 0.00 178.44 179.29 1x59 h VAL 18 N 0.55 1.10 0.32 1.22 2.07 -1.04 -0.26 116.25 120.22 1x59 h VAL 18 Ca 0.22 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1x59 h VAL 18 Cb 0.09 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1x59 h VAL 18 CO -0.13 0.08 -0.17 0.50 0.02 0.00 0.00 177.57 177.87 1x59 h LYS 19 N -0.09 -0.44 -0.18 1.57 3.64 -0.51 0.69 116.57 121.25 1x59 h LYS 19 Ca 0.01 0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1x59 h LYS 19 Cb 0.12 0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1x59 h LYS 19 CO -0.00 -0.30 -0.18 -0.07 -2.27 0.00 0.00 179.45 176.64 1x59 h LEU 20 N -0.46 0.29 -0.07 5.20 -0.00 -1.10 0.19 115.31 119.36 1x59 h LEU 20 Ca -0.04 -0.07 -0.02 0.00 -0.00 0.00 0.00 57.88 57.75 1x59 h LEU 20 Cb 0.36 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 40.94 1x59 h LEU 20 CO 0.06 0.49 -0.02 -0.61 -0.00 0.00 0.00 178.44 178.36 1x59 h GLN 21 N 0.28 0.14 -0.66 1.13 5.75 -0.81 -2.03 115.11 118.92 1x59 h GLN 21 Ca 0.05 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1x59 h GLN 21 Cb 0.48 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1x59 h GLN 21 CO 0.03 0.48 0.19 0.78 -2.65 0.00 0.00 178.83 177.66 1x59 h GLY 22 N -0.20 1.09 0.90 2.39 0.00 -0.43 -0.07 103.07 106.75 1x59 h GLY 22 Ca 0.02 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.72 1x59 h GLY 22 CO 0.01 0.60 -0.02 1.05 0.00 0.00 0.00 176.54 178.18 1x59 h GLU 23 N 0.97 -0.01 0.09 4.80 4.11 -0.66 -1.17 114.58 122.71 1x59 h GLU 23 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.64 1x59 h GLU 23 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x59 h GLU 23 CO -0.00 -0.01 -0.07 -0.09 0.07 0.00 0.00 179.01 178.91 1x59 h ARG 24 N -0.01 -0.16 -0.30 1.06 2.43 -0.91 -1.40 114.38 115.08 1x59 h ARG 24 Ca 0.02 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1x59 h ARG 24 Cb 0.04 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1x59 h ARG 24 CO -0.05 -0.11 0.06 0.28 -1.51 0.00 0.00 179.97 178.64 1x59 h VAL 25 N -0.17 0.85 -0.88 0.20 2.07 -0.90 0.34 116.25 117.76 1x59 h VAL 25 Ca -0.00 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1x59 h VAL 25 Cb 0.15 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.56 1x59 h VAL 25 CO -0.01 0.03 0.57 0.03 0.02 0.00 0.00 177.57 178.21 1x59 h ARG 26 N 0.16 1.17 -0.04 1.57 3.08 -0.99 -0.63 114.38 118.71 1x59 h ARG 26 Ca 0.14 -0.08 -0.00 0.00 0.07 0.00 0.00 59.98 60.10 1x59 h ARG 26 Cb 0.15 -0.26 -0.00 0.00 0.08 0.00 0.00 29.97 29.94 1x59 h ARG 26 CO -0.19 0.79 0.01 0.78 -1.07 0.00 0.00 179.97 180.29 1x59 h GLY 27 N 1.21 0.07 1.19 0.04 0.00 -0.09 -2.33 103.07 103.17 1x59 h GLY 27 Ca 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 47.33 47.56 1x59 h GLY 27 CO -0.07 0.04 0.23 1.41 0.00 0.00 0.00 176.54 178.16 1x59 h LEU 28 N -0.19 0.94 -0.17 3.11 3.38 0.03 0.97 115.31 123.39 1x59 h LEU 28 Ca 0.01 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1x59 h LEU 28 Cb 0.28 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1x59 h LEU 28 CO 0.00 0.87 0.07 0.11 0.09 0.00 0.00 178.44 179.58 1x59 h LYS 29 N 0.99 0.16 -0.71 1.13 1.57 -1.16 -0.76 116.57 117.79 1x59 h LYS 29 Ca 0.22 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1x59 h LYS 29 Cb 0.25 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 1x59 h LYS 29 CO -0.01 0.11 0.35 0.37 -0.57 0.00 0.00 179.45 179.70 1x59 h GLN 30 N 0.17 1.01 0.00 3.15 4.15 -0.78 -2.00 115.11 120.81 1x59 h GLN 30 Ca 0.07 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1x59 h GLN 30 Cb 0.02 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.53 1x59 h GLN 30 CO -0.06 0.78 0.00 1.04 -1.93 0.00 0.00 178.83 178.67 1x59 n GLN 31 N -4.45 0.24 -4.20 1.69 1.13 0.27 -4.85 117.38 107.20 1x59 n GLN 31 Ca 0.06 0.11 -0.35 0.00 -1.94 0.00 0.00 57.00 54.88 1x59 n GLN 31 Cb 0.12 -1.50 -0.05 0.00 0.11 0.00 0.00 30.24 28.92 1x59 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1x59 n LYS 32 N -1.18 -0.98 -0.60 -1.09 5.02 -0.75 -4.98 118.16 113.61 1x59 n LYS 32 Ca 0.07 0.12 -0.28 0.00 -2.02 0.00 0.00 58.31 56.20 1x59 n LYS 32 Cb 0.07 -3.38 0.25 0.00 -0.02 0.00 0.00 35.03 31.96 1x59 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x59 s ALA 33 N -4.07 -0.45 0.49 7.82 0.00 -0.32 -4.96 121.76 120.27 1x59 s ALA 33 Ca 0.16 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.59 1x59 s ALA 33 Cb -0.08 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1x59 s ALA 33 CO 0.98 -3.90 1.36 -1.12 0.00 0.00 0.00 175.76 173.08 1x59 s SER 34 N -2.71 5.67 0.12 0.00 0.01 -1.26 -4.86 113.70 110.66 1x59 s SER 34 Ca 0.68 2.77 -0.20 0.00 1.31 0.00 0.00 55.95 60.51 1x59 s SER 34 Cb -0.23 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.30 1x59 s SER 34 CO 0.63 -1.30 1.76 0.00 0.41 0.00 0.00 173.24 174.74 1x59 h ALA 35 N 1.94 0.23 0.00 1.44 0.00 -2.00 -1.99 119.26 118.88 1x59 h ALA 35 Ca -0.51 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1x59 h ALA 35 Cb 1.28 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1x59 h ALA 35 CO 0.59 -0.32 -0.34 0.93 0.00 0.00 0.00 179.25 180.12 1x59 h GLU 36 N 0.21 0.00 0.13 0.00 3.07 -1.99 -1.75 114.58 114.25 1x59 h GLU 36 Ca 0.08 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1x59 h GLU 36 Cb 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1x59 h GLU 36 CO -0.05 0.34 -0.06 1.25 -1.40 0.00 0.00 179.01 179.09 1x59 h LEU 37 N 0.00 -0.15 -0.71 1.33 5.85 -1.82 -1.58 115.31 118.23 1x59 h LEU 37 Ca -0.00 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.54 1x59 h LEU 37 Cb 0.64 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 1x59 h LEU 37 CO 0.04 0.13 0.44 0.40 -0.34 0.00 0.00 178.44 179.12 1x59 h ILE 38 N -0.44 1.08 -0.31 4.05 2.04 -1.09 -0.61 117.51 122.24 1x59 h ILE 38 Ca -0.02 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.48 1x59 h ILE 38 Cb 0.35 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.57 1x59 h ILE 38 CO 0.03 0.16 -0.09 -0.33 0.00 0.00 0.00 178.15 177.91 1x59 h GLU 39 N 0.86 0.51 0.50 2.37 4.39 -1.33 0.67 114.58 122.55 1x59 h GLU 39 Ca 0.29 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1x59 h GLU 39 Cb 0.04 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.63 1x59 h GLU 39 CO -0.12 0.61 -0.29 1.49 -1.16 0.00 0.00 179.01 179.54 1x59 h GLU 40 N 0.48 -0.72 0.00 2.33 4.81 -0.12 -1.06 114.58 120.30 1x59 h GLU 40 Ca 0.09 0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1x59 h GLU 40 Cb 0.46 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1x59 h GLU 40 CO 0.02 -0.48 -0.34 1.05 -0.73 0.00 0.00 179.01 178.54 1x59 h GLU 41 N -0.75 0.00 -0.03 1.92 4.11 -0.98 -0.84 114.58 118.02 1x59 h GLU 41 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 1x59 h GLU 41 Cb 0.60 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.85 1x59 h GLU 41 CO 0.07 0.34 -0.01 0.28 0.07 0.00 0.00 179.01 179.76 1x59 h VAL 42 N 0.00 1.30 -0.40 -1.06 2.07 -0.89 0.79 116.25 118.07 1x59 h VAL 42 Ca -0.00 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 1x59 h VAL 42 Cb 1.13 1.87 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1x59 h VAL 42 CO 0.04 0.24 0.13 0.00 0.02 0.00 0.00 177.57 178.01 1x59 h ALA 43 N 0.63 1.49 -0.43 1.67 0.00 -1.07 0.12 119.26 121.68 1x59 h ALA 43 Ca 0.01 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1x59 h ALA 43 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1x59 h ALA 43 CO 0.00 0.39 -0.05 0.87 0.00 0.00 0.00 179.25 180.46 1x59 h LYS 44 N 0.56 0.79 -0.68 0.00 1.57 -1.10 -0.92 116.57 116.78 1x59 h LYS 44 Ca 0.14 -0.28 0.08 0.00 -1.87 0.00 0.00 60.65 58.72 1x59 h LYS 44 Cb 0.16 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1x59 h LYS 44 CO -0.01 0.88 0.35 1.25 -0.57 0.00 0.00 179.45 181.36 1x59 h LEU 45 N 0.62 0.48 -0.38 2.94 5.85 -0.25 -1.22 115.31 123.35 1x59 h LEU 45 Ca 0.11 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.92 1x59 h LEU 45 Cb 0.56 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 1x59 h LEU 45 CO 0.03 0.29 0.16 -0.07 -0.34 0.00 0.00 178.44 178.52 1x59 h LEU 46 N 0.62 0.21 -0.97 2.25 3.38 -0.48 0.31 115.31 120.63 1x59 h LEU 46 Ca 0.33 0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.38 1x59 h LEU 46 Cb 0.29 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1x59 h LEU 46 CO -0.23 0.16 0.63 0.11 0.09 0.00 0.00 178.44 179.19 1x59 h LYS 47 N 0.34 1.14 0.36 1.13 1.79 -0.15 -0.76 116.57 120.41 1x59 h LYS 47 Ca 0.17 -0.07 -0.02 0.00 -2.18 0.00 0.00 60.65 58.55 1x59 h LYS 47 Cb 0.11 -0.26 0.00 0.00 -1.58 0.00 0.00 32.23 30.51 1x59 h LYS 47 CO -0.14 0.75 -0.17 -0.07 -1.08 0.00 0.00 179.45 178.73 1x59 h LEU 48 N 1.17 -0.41 -1.68 2.94 3.38 -0.82 -3.22 115.31 116.66 1x59 h LEU 48 Ca 0.41 -0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.38 1x59 h LEU 48 Cb 0.10 0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1x59 h LEU 48 CO -0.15 -0.09 0.43 0.11 0.09 0.00 0.00 178.44 178.82 1x59 h LYS 49 N -0.76 0.33 -0.02 1.13 1.57 -0.48 0.25 116.57 118.59 1x59 h LYS 49 Ca -0.05 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1x59 h LYS 49 Cb 0.51 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1x59 h LYS 49 CO 0.08 0.22 0.04 0.00 -0.57 0.00 0.00 179.45 179.21 1x59 h ALA 50 N 1.69 1.43 0.16 3.86 0.00 -1.16 -2.48 119.26 122.76 1x59 h ALA 50 Ca 0.30 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.90 1x59 h ALA 50 Cb 0.72 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1x59 h ALA 50 CO -0.08 -0.05 -1.52 1.96 0.00 0.00 0.00 179.25 179.57 1x59 h GLN 51 N 0.00 0.34 0.00 0.00 4.20 -1.04 -2.71 115.11 115.90 1x59 h GLN 51 Ca 0.01 -0.58 0.00 0.00 0.06 0.00 0.00 58.65 58.14 1x59 h GLN 51 Cb 0.08 0.22 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1x59 h GLN 51 CO -0.00 1.28 0.00 1.28 -0.67 0.00 0.00 178.83 180.72 1x59 n LEU 52 N -3.78 0.00 0.00 1.46 7.99 -0.95 -4.67 117.00 117.05 1x59 n LEU 52 Ca -0.23 0.42 0.00 0.00 -0.01 0.00 0.00 56.01 56.19 1x59 n LEU 52 Cb 0.99 -0.42 0.00 0.00 -0.11 0.00 0.00 43.42 43.87 1x59 n LEU 52 CO 0.48 -0.36 0.00 0.61 -1.51 0.00 0.00 177.39 176.60 1x59 n GLY 53 N -1.01 1.31 0.21 -0.72 0.00 -1.12 -5.04 105.19 98.82 1x59 n GLY 53 Ca 0.01 0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.21 1x59 n GLY 53 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x59 h PRO 54 N 0.00 0.00 0.00 1.61 0.13 -1.68 -3.42 132.00 128.63 1x59 h PRO 54 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x59 h PRO 54 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x59 h PRO 54 CO 0.00 0.28 0.00 -3.47 -0.23 0.00 0.00 178.00 174.58 1x59 n ASP 55 N -4.08 0.00 -4.05 1.44 2.03 -1.26 -4.37 116.55 106.26 1x59 n ASP 55 Ca -0.02 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.92 1x59 n ASP 55 Cb 0.34 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.69 1x59 n ASP 55 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1x59 n GLU 56 N 0.00 1.64 -3.31 -0.67 2.13 -1.26 -4.92 120.64 114.25 1x59 n GLU 56 Ca 0.00 -2.17 -0.31 0.00 0.66 0.00 0.00 57.16 55.34 1x59 n GLU 56 Cb 0.00 -3.27 -0.04 0.00 0.27 0.00 0.00 31.44 28.39 1x59 n GLU 56 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1x59 s SER 57 N 5.51 6.56 0.23 4.31 0.15 -1.26 -5.10 113.70 124.10 1x59 s SER 57 Ca 0.61 0.90 -0.00 0.00 0.70 0.00 0.00 55.95 58.16 1x59 s SER 57 Cb 0.08 -2.22 0.00 0.00 -1.71 0.00 0.00 66.02 62.18 1x59 s SER 57 CO 0.12 -0.16 0.30 1.17 1.20 0.00 0.00 173.24 175.87 1x59 n LYS 58 N -0.55 0.43 -3.84 5.44 4.81 -1.26 -5.15 118.16 118.04 1x59 n LYS 58 Ca 0.00 -1.85 -0.29 0.00 -0.87 0.00 0.00 58.31 55.30 1x59 n LYS 58 Cb 0.53 1.75 -0.16 0.00 0.02 0.00 0.00 35.03 37.17 1x59 n LYS 58 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1x59 s GLN 59 N -2.56 1.16 0.37 1.64 0.74 -1.26 -5.11 119.66 114.64 1x59 s GLN 59 Ca 0.20 -0.63 0.06 0.00 0.05 0.00 0.00 55.36 55.04 1x59 s GLN 59 Cb -0.00 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.85 1x59 s GLN 59 CO 0.14 -0.57 0.22 0.36 -0.55 0.00 0.00 175.29 174.89 1x59 n LYS 60 N 4.88 0.48 0.00 1.67 2.85 -1.26 -5.11 118.16 121.68 1x59 n LYS 60 Ca -0.11 -3.42 0.00 0.00 -1.05 0.00 0.00 58.31 53.73 1x59 n LYS 60 Cb 0.46 2.37 0.00 0.00 -0.65 0.00 0.00 35.03 37.21 1x59 n LYS 60 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 177.40 179.32 1x59 n PHE 61 N -0.77 0.00 -4.10 5.58 1.16 -1.26 -5.08 117.46 112.99 1x59 n PHE 61 Ca 0.02 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.31 1x59 n PHE 61 Cb 0.61 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.43 1x59 n PHE 61 CO 0.00 0.00 0.00 1.55 -1.87 0.00 0.00 176.76 176.44 1x59 n VAL 62 N 0.00 -2.30 -3.66 1.97 3.14 -1.26 -4.96 118.33 111.26 1x59 n VAL 62 Ca 0.00 -0.52 -0.08 0.00 -2.96 0.00 0.00 64.34 60.78 1x59 n VAL 62 Cb 0.00 -2.02 -0.08 0.00 -1.06 0.00 0.00 33.84 30.68 1x59 n VAL 62 CO 0.00 0.00 0.00 -0.22 -6.46 0.00 0.00 176.83 170.15 1x59 s LEU 63 N -7.14 -0.67 0.00 6.55 1.98 -1.26 -5.04 118.68 113.10 1x59 s LEU 63 Ca 0.04 1.28 0.06 0.00 -2.89 0.00 0.00 54.13 52.62 1x59 s LEU 63 Cb -0.02 1.95 0.36 0.00 0.66 0.00 0.00 46.19 49.15 1x59 s LEU 63 CO 0.94 -0.22 0.79 2.29 -1.89 0.00 0.00 176.35 178.25 1x59 n LYS 64 N 4.51 0.43 -3.74 1.98 2.85 -1.26 -4.62 118.16 118.31 1x59 n LYS 64 Ca -0.19 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 56.93 1x59 n LYS 64 Cb 0.56 -1.22 -0.09 0.00 -0.65 0.00 0.00 35.03 33.62 1x59 n LYS 64 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1x59 s THR 65 N -2.00 0.03 0.72 0.58 -1.32 -1.26 -5.18 115.64 107.20 1x59 s THR 65 Ca 0.09 -0.23 -0.12 0.00 -1.21 0.00 0.00 61.69 60.22 1x59 s THR 65 Cb 0.04 -0.59 0.17 0.00 -1.51 0.00 0.00 72.50 70.61 1x59 s THR 65 CO 0.07 -0.12 0.96 -0.81 -2.21 0.00 0.00 174.62 172.51 1x59 n PRO 66 N 2.03 -1.00 -0.01 7.08 -0.04 -1.26 -5.03 135.00 136.77 1x59 n PRO 66 Ca -0.17 -1.49 0.01 0.00 -0.04 0.00 0.00 63.50 61.81 1x59 n PRO 66 Cb 0.57 -1.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.04 1x59 n PRO 66 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x59 n LYS 67 N -3.08 2.60 0.00 0.54 4.81 -1.26 -5.07 118.16 116.70 1x59 n LYS 67 Ca 0.12 -1.51 0.00 0.00 -0.87 0.00 0.00 58.31 56.05 1x59 n LYS 67 Cb 0.42 -1.00 0.00 0.00 0.02 0.00 0.00 35.03 34.47 1x59 n LYS 67 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1x59 n SER 68 N -0.54 0.00 -2.66 3.14 7.64 -1.26 -4.80 113.62 115.14 1x59 n SER 68 Ca 0.01 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.85 1x59 n SER 68 Cb 0.31 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.57 1x59 n SER 68 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x59 n GLY 69 N 0.00 -1.92 3.74 0.23 0.00 -1.26 -5.14 105.19 100.83 1x59 n GLY 69 Ca 0.00 1.17 -0.41 0.00 0.00 0.00 0.00 46.02 46.78 1x59 n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x59 s PRO 70 N 0.28 4.32 0.03 1.61 0.04 -1.26 -4.79 135.00 135.23 1x59 s PRO 70 Ca 0.25 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.48 1x59 s PRO 70 Cb 0.19 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1x59 s PRO 70 CO -0.08 -0.35 0.00 0.45 0.04 0.00 0.00 177.00 177.06 1x59 n SER 71 N 2.54 -0.26 -0.81 6.66 2.88 -1.26 -5.07 113.62 118.30 1x59 n SER 71 Ca 0.07 0.06 -0.11 0.00 -1.33 0.00 0.00 58.87 57.57 1x59 n SER 71 Cb 0.41 0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 64.41 1x59 n SER 71 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x59 n SER 72 N -2.58 -4.51 0.00 -3.46 7.64 -1.26 -5.38 113.62 104.08 1x59 n SER 72 Ca 0.00 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.14 1x59 n SER 72 Cb 0.00 -2.94 0.00 0.00 -1.01 0.00 0.00 64.21 60.26 1x59 n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64