#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x59 n SER 2 N 0.00 -7.56 -3.43 1.61 7.64 -1.26 -5.04 113.62 105.58 1x59 n SER 2 Ca 0.00 0.73 -0.12 0.00 1.01 0.00 0.00 58.87 60.49 1x59 n SER 2 Cb 0.00 -3.98 -0.02 0.00 -1.01 0.00 0.00 64.21 59.20 1x59 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x59 s SER 3 N -6.76 -0.56 0.00 6.43 0.01 -1.26 -5.18 113.70 106.38 1x59 s SER 3 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 1x59 s SER 3 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1x59 s SER 3 CO 0.00 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.34 1x59 n GLY 4 N -0.30 -0.90 0.00 3.44 0.00 -1.26 -5.01 105.19 101.16 1x59 n GLY 4 Ca -0.16 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1x59 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x59 n SER 5 N 3.00 2.11 -3.76 1.61 7.64 -1.26 -5.05 113.62 117.92 1x59 n SER 5 Ca 0.00 -0.20 -0.13 0.00 1.01 0.00 0.00 58.87 59.55 1x59 n SER 5 Cb 0.00 0.82 -0.09 0.00 -1.01 0.00 0.00 64.21 63.93 1x59 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x59 s SER 6 N -1.24 -0.22 0.00 6.43 0.15 -1.26 -5.13 113.70 112.43 1x59 s SER 6 Ca 0.00 0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1x59 s SER 6 Cb 0.00 0.36 0.00 0.00 -1.71 0.00 0.00 66.02 64.67 1x59 s SER 6 CO 0.00 -0.41 0.00 0.61 1.20 0.00 0.00 173.24 174.64 1x59 n GLY 7 N 1.46 0.98 0.28 9.45 0.00 -1.26 -5.05 105.19 111.06 1x59 n GLY 7 Ca -0.21 0.37 0.10 0.00 0.00 0.00 0.00 46.02 46.29 1x59 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x59 h MET 8 N 0.00 0.00 0.00 1.61 -0.00 -2.00 -1.15 114.93 113.39 1x59 h MET 8 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 59.70 59.64 1x59 h MET 8 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.59 1x59 h MET 8 CO 0.00 0.00 -0.29 0.00 -0.00 0.00 0.00 176.91 176.62 1x59 h ALA 9 N 1.97 1.22 0.04 -3.00 0.00 -1.99 -0.42 119.26 117.08 1x59 h ALA 9 Ca 0.02 -0.27 -0.32 0.00 0.00 0.00 0.00 54.91 54.35 1x59 h ALA 9 Cb 0.09 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1x59 h ALA 9 CO -0.00 0.37 -1.82 0.39 0.00 0.00 0.00 179.25 178.19 1x59 n GLU 10 N -3.77 0.67 -0.23 0.00 -0.58 -0.49 -3.42 120.64 112.82 1x59 n GLU 10 Ca -0.01 0.28 -0.03 0.00 -0.42 0.00 0.00 57.16 56.97 1x59 n GLU 10 Cb 0.39 -1.76 0.08 0.00 -0.57 0.00 0.00 31.44 29.58 1x59 n GLU 10 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1x59 h ARG 11 N 0.02 0.75 -0.69 3.49 9.65 -1.24 -2.78 114.38 123.58 1x59 h ARG 11 Ca -0.34 -0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.57 1x59 h ARG 11 Cb 2.03 -0.17 -0.06 0.00 -1.39 0.00 0.00 29.97 30.38 1x59 h ARG 11 CO 0.08 0.49 0.36 0.00 2.80 0.00 0.00 179.97 183.71 1x59 h ALA 12 N 1.30 0.93 -0.51 2.80 0.00 -1.17 0.11 119.26 122.73 1x59 h ALA 12 Ca 0.28 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.19 1x59 h ALA 12 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1x59 h ALA 12 CO -0.13 0.00 0.21 0.00 0.00 0.00 0.00 179.25 179.34 1x59 h ALA 13 N 1.39 0.66 -0.27 0.00 0.00 -1.52 0.69 119.26 120.21 1x59 h ALA 13 Ca 0.32 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.93 1x59 h ALA 13 Cb 0.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x59 h ALA 13 CO -0.22 0.26 -0.46 1.25 0.00 0.00 0.00 179.25 180.08 1x59 h LEU 14 N 0.68 0.76 -1.82 0.00 6.46 -1.21 -2.17 115.31 118.02 1x59 h LEU 14 Ca 0.17 -0.37 -0.01 0.00 -0.12 0.00 0.00 57.88 57.55 1x59 h LEU 14 Cb 0.18 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.89 1x59 h LEU 14 CO -0.02 1.11 -0.01 -0.33 -0.62 0.00 0.00 178.44 178.57 1x59 h GLU 15 N 0.57 0.09 -0.07 1.25 4.39 -0.49 -0.92 114.58 119.40 1x59 h GLU 15 Ca 0.03 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.70 1x59 h GLU 15 Cb 1.01 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1x59 h GLU 15 CO 0.10 0.12 -0.06 0.93 -1.16 0.00 0.00 179.01 178.93 1x59 h GLU 16 N 0.09 0.17 -0.62 2.33 5.08 -0.43 0.62 114.58 121.82 1x59 h GLU 16 Ca 0.02 -0.08 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1x59 h GLU 16 Cb 0.09 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.27 1x59 h GLU 16 CO 0.00 0.59 0.22 -0.07 -1.00 0.00 0.00 179.01 178.75 1x59 h LEU 17 N -0.25 0.19 0.65 1.33 3.38 -0.92 1.00 115.31 120.69 1x59 h LEU 17 Ca 0.01 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.04 1x59 h LEU 17 Cb 0.55 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1x59 h LEU 17 CO 0.02 0.11 -0.37 0.58 0.09 0.00 0.00 178.44 178.87 1x59 h VAL 18 N 0.38 0.25 0.17 1.22 2.07 -1.14 -1.15 116.25 118.04 1x59 h VAL 18 Ca 0.32 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.85 1x59 h VAL 18 Cb 0.42 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 1x59 h VAL 18 CO -0.33 0.00 -0.23 0.50 0.02 0.00 0.00 177.57 177.53 1x59 h LYS 19 N -0.95 -0.44 -0.63 1.57 3.64 -0.33 -0.04 116.57 119.40 1x59 h LYS 19 Ca -0.08 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1x59 h LYS 19 Cb 0.75 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.64 1x59 h LYS 19 CO 0.10 -0.29 0.39 -0.07 -2.27 0.00 0.00 179.45 177.31 1x59 h LEU 20 N -0.45 0.75 -0.46 5.20 -0.00 -0.86 0.26 115.31 119.75 1x59 h LEU 20 Ca 0.01 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.84 1x59 h LEU 20 Cb 0.45 -0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1x59 h LEU 20 CO -0.09 0.58 0.26 -0.61 -0.00 0.00 0.00 178.44 178.58 1x59 h GLN 21 N 0.86 0.63 -0.57 1.13 5.75 -0.92 0.10 115.11 122.08 1x59 h GLN 21 Ca 0.23 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.61 1x59 h GLN 21 Cb -0.04 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.36 1x59 h GLN 21 CO -0.04 0.48 0.16 0.78 -2.65 0.00 0.00 178.83 177.56 1x59 h GLY 22 N 0.60 0.97 1.17 2.39 0.00 -0.37 -0.57 103.07 107.26 1x59 h GLY 22 Ca 0.16 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.91 1x59 h GLY 22 CO -0.03 0.55 0.55 0.83 0.00 0.00 0.00 176.54 178.44 1x59 h GLU 23 N 0.81 1.11 -0.11 4.80 4.39 -0.20 -1.32 114.58 124.05 1x59 h GLU 23 Ca 0.18 -0.07 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 1x59 h GLU 23 Cb 0.31 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1x59 h GLU 23 CO -0.00 0.74 -0.10 -0.09 -1.16 0.00 0.00 179.01 178.40 1x59 h ARG 24 N 1.14 0.26 -0.20 2.33 2.43 -0.40 -2.06 114.38 117.87 1x59 h ARG 24 Ca 0.31 -0.13 0.05 0.00 -0.81 0.00 0.00 59.98 59.40 1x59 h ARG 24 Cb -0.12 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.37 1x59 h ARG 24 CO -0.06 0.66 -0.18 0.28 -1.51 0.00 0.00 179.97 179.15 1x59 h VAL 25 N -0.13 0.51 -0.16 0.20 2.07 -0.83 0.39 116.25 118.29 1x59 h VAL 25 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1x59 h VAL 25 Cb 0.60 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 1x59 h VAL 25 CO 0.02 0.00 0.10 0.08 0.02 0.00 0.00 177.57 177.79 1x59 h ARG 26 N -0.20 0.22 -0.43 1.57 0.11 -1.29 -2.48 114.38 111.88 1x59 h ARG 26 Ca 0.12 -0.02 -0.02 0.00 0.10 0.00 0.00 59.98 60.16 1x59 h ARG 26 Cb 0.38 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 31.39 1x59 h ARG 26 CO -0.32 0.19 0.18 0.78 0.10 0.00 0.00 179.97 180.90 1x59 h GLY 27 N 0.18 0.65 0.96 0.08 0.00 -0.94 -2.84 103.07 101.16 1x59 h GLY 27 Ca 0.06 -0.30 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1x59 h GLY 27 CO -0.01 0.29 0.17 1.41 0.00 0.00 0.00 176.54 178.40 1x59 h LEU 28 N 0.61 0.62 -1.60 3.11 3.38 0.20 0.14 115.31 121.77 1x59 h LEU 28 Ca 0.15 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1x59 h LEU 28 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1x59 h LEU 28 CO -0.02 0.63 -0.21 0.11 0.09 0.00 0.00 178.44 179.04 1x59 h LYS 29 N 0.58 0.00 -0.02 1.13 1.57 -1.24 -0.76 116.57 117.84 1x59 h LYS 29 Ca 0.15 0.00 -0.23 0.00 -1.87 0.00 0.00 60.65 58.70 1x59 h LYS 29 Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.52 1x59 h LYS 29 CO -0.01 0.21 -0.93 0.37 -0.57 0.00 0.00 179.45 178.52 1x59 h GLN 30 N 0.00 0.49 0.00 3.15 4.15 -1.17 -3.37 115.11 118.37 1x59 h GLN 30 Ca -0.00 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1x59 h GLN 30 Cb 0.41 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1x59 h GLN 30 CO 0.03 1.14 0.00 0.00 -1.93 0.00 0.00 178.83 178.07 1x59 n GLN 31 N -3.79 0.82 -3.91 1.69 10.64 0.43 -4.83 117.38 118.43 1x59 n GLN 31 Ca -0.07 0.00 -0.31 0.00 -1.83 0.00 0.00 57.00 54.79 1x59 n GLN 31 Cb 0.83 -1.22 0.00 0.00 -0.86 0.00 0.00 30.24 28.99 1x59 n GLN 31 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 1x59 n LYS 32 N -0.72 -4.34 -1.32 2.61 2.85 -1.19 -4.99 118.16 111.07 1x59 n LYS 32 Ca 0.09 0.50 -0.30 0.00 -1.05 0.00 0.00 58.31 57.56 1x59 n LYS 32 Cb 0.04 -5.31 0.13 0.00 -0.65 0.00 0.00 35.03 29.24 1x59 n LYS 32 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x59 s ALA 33 N -3.22 1.65 0.41 0.58 0.00 -1.10 -5.00 121.76 115.08 1x59 s ALA 33 Ca 0.65 -0.19 -0.26 0.00 0.00 0.00 0.00 51.96 52.16 1x59 s ALA 33 Cb -0.34 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 1x59 s ALA 33 CO 0.80 -2.27 1.31 -1.12 0.00 0.00 0.00 175.76 174.48 1x59 s SER 34 N -3.61 6.27 0.43 0.00 0.01 -1.26 -4.90 113.70 110.64 1x59 s SER 34 Ca 0.63 2.67 0.10 0.00 1.31 0.00 0.00 55.95 60.66 1x59 s SER 34 Cb -0.17 -2.64 0.97 0.00 0.21 0.00 0.00 66.02 64.39 1x59 s SER 34 CO 0.56 -0.88 2.06 0.00 0.41 0.00 0.00 173.24 175.38 1x59 h ALA 35 N 2.63 1.83 0.02 1.44 0.00 -1.99 -1.29 119.26 121.90 1x59 h ALA 35 Ca -0.50 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.17 1x59 h ALA 35 Cb 1.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1x59 h ALA 35 CO 0.62 0.13 -1.08 1.49 0.00 0.00 0.00 179.25 180.41 1x59 h GLU 36 N 0.43 0.05 -0.55 0.00 4.81 -1.99 -1.25 114.58 116.08 1x59 h GLU 36 Ca 0.15 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.24 1x59 h GLU 36 Cb 0.09 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 1x59 h GLU 36 CO -0.04 1.01 0.11 1.25 -0.73 0.00 0.00 179.01 180.62 1x59 h LEU 37 N 0.01 0.85 -0.53 1.64 5.85 -1.85 -2.17 115.31 119.11 1x59 h LEU 37 Ca -0.05 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1x59 h LEU 37 Cb 1.82 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 1x59 h LEU 37 CO 0.14 0.88 0.17 0.40 -0.34 0.00 0.00 178.44 179.69 1x59 h ILE 38 N 0.79 1.23 -0.62 4.05 2.04 -1.12 -0.28 117.51 123.59 1x59 h ILE 38 Ca 0.17 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1x59 h ILE 38 Cb 0.37 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1x59 h ILE 38 CO 0.01 0.29 0.38 -0.33 0.00 0.00 0.00 178.15 178.50 1x59 h GLU 39 N 0.73 0.84 0.34 2.37 4.39 -1.22 -1.40 114.58 120.63 1x59 h GLU 39 Ca 0.17 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1x59 h GLU 39 Cb 0.27 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1x59 h GLU 39 CO -0.01 0.59 -0.26 0.93 -1.16 0.00 0.00 179.01 179.11 1x59 h GLU 40 N 0.84 -0.58 0.00 2.33 4.39 -0.95 -0.25 114.58 120.36 1x59 h GLU 40 Ca 0.22 0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.88 1x59 h GLU 40 Cb -0.04 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1x59 h GLU 40 CO -0.04 -0.39 -0.38 0.93 -1.16 0.00 0.00 179.01 177.97 1x59 h GLU 41 N -0.60 0.00 -0.04 2.33 4.39 -0.97 0.23 114.58 119.91 1x59 h GLU 41 Ca -0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 1x59 h GLU 41 Cb 0.52 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1x59 h GLU 41 CO -0.00 0.38 -0.61 0.28 -1.16 0.00 0.00 179.01 177.90 1x59 h VAL 42 N 0.00 1.39 -0.21 3.13 2.07 -1.13 -0.57 116.25 120.93 1x59 h VAL 42 Ca -0.00 -1.99 0.01 0.00 0.82 0.00 0.00 66.70 65.53 1x59 h VAL 42 Cb 0.73 2.41 -0.01 0.00 -1.52 0.00 0.00 31.29 32.90 1x59 h VAL 42 CO 0.05 0.59 0.12 0.00 0.02 0.00 0.00 177.57 178.35 1x59 h ALA 43 N 0.39 0.25 -0.74 1.67 0.00 -0.68 0.29 119.26 120.44 1x59 h ALA 43 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1x59 h ALA 43 Cb 1.29 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 1x59 h ALA 43 CO 0.12 -0.29 0.46 0.87 0.00 0.00 0.00 179.25 180.41 1x59 h LYS 44 N 0.24 1.00 -0.24 0.00 1.57 -1.01 0.62 116.57 118.74 1x59 h LYS 44 Ca 0.08 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.83 1x59 h LYS 44 Cb -0.00 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 32.04 1x59 h LYS 44 CO -0.04 0.69 -0.12 1.25 -0.57 0.00 0.00 179.45 180.67 1x59 h LEU 45 N 1.01 -0.39 -0.23 2.94 5.85 -0.81 -1.80 115.31 121.87 1x59 h LEU 45 Ca 0.27 0.10 0.02 0.00 0.84 0.00 0.00 57.88 59.11 1x59 h LEU 45 Cb -0.06 0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1x59 h LEU 45 CO -0.05 -0.15 0.08 -0.07 -0.34 0.00 0.00 178.44 177.91 1x59 h LEU 46 N -0.09 0.09 -0.25 2.25 3.38 -0.14 -1.95 115.31 118.60 1x59 h LEU 46 Ca 0.13 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1x59 h LEU 46 Cb 0.28 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1x59 h LEU 46 CO -0.30 0.08 0.12 0.11 0.09 0.00 0.00 178.44 178.54 1x59 h LYS 47 N 0.19 0.25 -0.41 1.13 1.79 -0.58 -0.92 116.57 118.02 1x59 h LYS 47 Ca 0.10 -0.02 0.02 0.00 -2.18 0.00 0.00 60.65 58.57 1x59 h LYS 47 Cb 0.07 -0.06 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 1x59 h LYS 47 CO -0.11 0.17 0.25 -0.07 -1.08 0.00 0.00 179.45 178.61 1x59 h LEU 48 N 0.26 0.40 -1.56 2.94 3.38 -1.20 -1.56 115.31 117.96 1x59 h LEU 48 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1x59 h LEU 48 Cb 0.04 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1x59 h LEU 48 CO -0.08 0.29 0.31 0.11 0.09 0.00 0.00 178.44 179.16 1x59 h LYS 49 N 0.50 0.58 0.00 1.13 1.57 -0.79 -0.24 116.57 119.31 1x59 h LYS 49 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 1x59 h LYS 49 Cb 0.00 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1x59 h LYS 49 CO -0.07 0.38 0.00 0.00 -0.57 0.00 0.00 179.45 179.19 1x59 n ALA 50 N -2.47 1.70 0.06 3.86 0.00 -0.40 -1.48 120.51 121.78 1x59 n ALA 50 Ca 0.04 0.03 -0.22 0.00 0.00 0.00 0.00 53.44 53.29 1x59 n ALA 50 Cb 0.09 -1.34 -0.15 0.00 0.00 0.00 0.00 19.45 18.06 1x59 n ALA 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1x59 h GLN 51 N 0.00 0.36 -0.01 0.00 4.20 -0.61 -3.36 115.11 115.69 1x59 h GLN 51 Ca 0.00 -0.62 0.00 0.00 0.06 0.00 0.00 58.65 58.10 1x59 h GLN 51 Cb 0.34 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.34 1x59 h GLN 51 CO 0.00 1.28 -0.02 -0.07 -0.67 0.00 0.00 178.83 179.35 1x59 h LEU 52 N 0.10 -0.05 0.00 1.46 -0.00 -1.16 -3.50 115.31 112.16 1x59 h LEU 52 Ca -0.35 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.54 1x59 h LEU 52 Cb 2.08 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 42.77 1x59 h LEU 52 CO 0.16 -0.03 0.00 0.61 -0.00 0.00 0.00 178.44 179.19 1x59 n GLY 53 N -1.12 1.42 0.32 0.83 0.00 -0.55 -4.92 105.19 101.18 1x59 n GLY 53 Ca -0.07 -2.10 -0.03 0.00 0.00 0.00 0.00 46.02 43.82 1x59 n GLY 53 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x59 n PRO 54 N 0.45 -1.20 -3.82 1.61 -0.04 -1.26 -4.78 135.00 125.96 1x59 n PRO 54 Ca 0.00 -0.16 -0.37 0.00 -0.04 0.00 0.00 63.50 62.93 1x59 n PRO 54 Cb 0.00 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.25 1x59 n PRO 54 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x59 s ASP 55 N -1.78 6.46 0.43 3.54 1.01 -1.26 -4.72 116.67 120.35 1x59 s ASP 55 Ca 0.07 0.55 0.00 0.00 0.71 0.00 0.00 52.55 53.88 1x59 s ASP 55 Cb -0.01 -2.10 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1x59 s ASP 55 CO 0.05 0.39 0.00 1.21 0.21 0.00 0.00 175.17 177.03 1x59 n GLU 56 N 1.96 -3.68 -3.99 8.23 0.00 -1.26 -4.84 120.64 117.06 1x59 n GLU 56 Ca -0.19 2.75 -0.34 0.00 0.00 0.00 0.00 57.16 59.38 1x59 n GLU 56 Cb 0.55 -3.11 0.01 0.00 0.00 0.00 0.00 31.44 28.89 1x59 n GLU 56 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1x59 n SER 57 N -0.99 -2.85 -4.19 4.31 2.88 -1.26 -4.73 113.62 106.79 1x59 n SER 57 Ca 0.00 -0.93 -0.60 0.00 -1.33 0.00 0.00 58.87 56.01 1x59 n SER 57 Cb 0.02 -1.12 -0.10 0.00 -0.75 0.00 0.00 64.21 62.27 1x59 n SER 57 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1x59 n LYS 58 N -3.89 0.00 -1.65 -1.46 4.81 -1.26 -4.82 118.16 109.89 1x59 n LYS 58 Ca -0.08 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.97 1x59 n LYS 58 Cb 0.40 -1.36 0.03 0.00 0.02 0.00 0.00 35.03 34.12 1x59 n LYS 58 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1x59 n GLN 59 N 4.56 1.34 0.10 1.64 6.02 -1.26 -4.96 117.38 124.82 1x59 n GLN 59 Ca 0.35 0.49 -0.23 0.00 -0.01 0.00 0.00 57.00 57.59 1x59 n GLN 59 Cb -0.05 -2.25 -0.15 0.00 1.02 0.00 0.00 30.24 28.80 1x59 n GLN 59 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 177.06 175.83 1x59 h LYS 60 N 1.20 0.44 -5.29 -1.09 3.64 -2.02 -3.45 116.57 110.01 1x59 h LYS 60 Ca -0.48 -0.75 -0.65 0.00 -1.27 0.00 0.00 60.65 57.50 1x59 h LYS 60 Cb 1.33 0.28 -0.15 0.00 -0.41 0.00 0.00 32.23 33.28 1x59 h LYS 60 CO 0.55 1.36 0.00 0.12 -2.27 0.00 0.00 179.45 179.21 1x59 s PHE 61 N -2.55 3.16 -0.39 1.91 2.19 -1.26 -4.95 117.98 116.08 1x59 s PHE 61 Ca -0.13 0.15 0.11 0.00 0.33 0.00 0.00 56.93 57.39 1x59 s PHE 61 Cb 0.04 -3.02 0.35 0.00 -1.31 0.00 0.00 43.02 39.08 1x59 s PHE 61 CO 0.89 -0.61 0.89 1.33 1.83 0.00 0.00 175.22 179.55 1x59 n VAL 62 N 5.52 -0.02 -2.55 3.12 0.24 -1.26 -5.12 118.33 118.25 1x59 n VAL 62 Ca -0.04 -3.42 0.10 0.00 -2.04 0.00 0.00 64.34 58.95 1x59 n VAL 62 Cb 0.49 0.39 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 1x59 n VAL 62 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1x59 n LEU 63 N 0.24 0.00 -3.24 1.34 7.99 -1.26 -4.75 117.00 117.32 1x59 n LEU 63 Ca 0.17 0.83 -0.24 0.00 -0.01 0.00 0.00 56.01 56.75 1x59 n LEU 63 Cb 0.69 -2.36 -0.08 0.00 -0.11 0.00 0.00 43.42 41.56 1x59 n LEU 63 CO 0.15 -2.06 -0.29 0.29 -1.51 0.00 0.00 177.39 173.97 1x59 n LYS 64 N -3.00 0.55 -3.74 3.23 5.02 -1.26 -5.09 118.16 113.88 1x59 n LYS 64 Ca 0.01 -3.16 -0.29 0.00 -2.02 0.00 0.00 58.31 52.84 1x59 n LYS 64 Cb 0.35 -1.35 -0.13 0.00 -0.02 0.00 0.00 35.03 33.88 1x59 n LYS 64 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1x59 s THR 65 N -0.75 1.64 0.48 -0.18 -4.23 -1.26 -5.12 115.64 106.22 1x59 s THR 65 Ca 0.34 -2.87 -0.21 0.00 -1.18 0.00 0.00 61.69 57.77 1x59 s THR 65 Cb 0.13 -2.13 -0.07 0.00 1.34 0.00 0.00 72.50 71.76 1x59 s THR 65 CO -0.14 -0.93 1.11 -2.16 -0.54 0.00 0.00 174.62 171.96 1x59 s PRO 66 N 0.02 3.70 -0.16 3.99 0.04 -1.26 -5.06 135.00 136.27 1x59 s PRO 66 Ca 0.20 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.71 1x59 s PRO 66 Cb -0.20 -2.23 0.05 0.00 0.04 0.00 0.00 34.50 32.16 1x59 s PRO 66 CO -0.04 -0.56 0.41 0.21 0.04 0.00 0.00 177.00 177.07 1x59 s LYS 67 N -2.97 0.45 0.15 4.56 2.47 -1.26 -5.04 119.74 118.11 1x59 s LYS 67 Ca 0.66 0.66 -0.13 0.00 -1.56 0.00 0.00 55.97 55.60 1x59 s LYS 67 Cb -0.23 0.14 0.04 0.00 -1.46 0.00 0.00 37.83 36.31 1x59 s LYS 67 CO 0.28 -0.09 1.65 0.77 0.16 0.00 0.00 175.35 178.12 1x59 h SER 68 N 6.09 0.80 -1.06 1.43 0.02 -2.00 -3.50 113.55 115.34 1x59 h SER 68 Ca -0.31 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.40 1x59 h SER 68 Cb 1.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1x59 h SER 68 CO 0.26 0.84 0.00 0.61 -1.14 0.00 0.00 176.83 177.40 1x59 n GLY 69 N -0.58 0.29 3.61 -3.77 0.00 -1.26 -4.72 105.19 98.76 1x59 n GLY 69 Ca 0.02 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.00 -0.21 0.23 1.61 0.04 -1.26 -5.10 135.00 128.30 1x59 s PRO 70 Ca 0.00 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 1x59 s PRO 70 Cb 0.00 -1.66 0.01 0.00 0.04 0.00 0.00 34.50 32.89 1x59 s PRO 70 CO 0.00 -3.17 0.53 0.45 0.04 0.00 0.00 177.00 174.86 1x59 s SER 71 N -3.23 -0.19 0.25 6.66 0.15 -1.26 -5.03 113.70 111.04 1x59 s SER 71 Ca 0.67 -0.66 0.01 0.00 0.70 0.00 0.00 55.95 56.66 1x59 s SER 71 Cb -0.20 0.60 -0.05 0.00 -1.71 0.00 0.00 66.02 64.67 1x59 s SER 71 CO 0.59 -1.13 0.11 -0.94 1.20 0.00 0.00 173.24 173.08 1x59 s SER 72 N -2.93 0.92 0.00 5.45 1.04 -1.26 -5.30 113.70 111.62 1x59 s SER 72 Ca 0.14 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 55.17 1x59 s SER 72 Cb -0.02 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1x59 s SER 72 CO 0.03 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.08