#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 2.74 0.17 1.61 0.01 -1.26 -4.95 113.70 112.01 1x59 s SER 2 Ca 0.00 -1.32 -0.22 0.00 1.31 0.00 0.00 55.95 55.72 1x59 s SER 2 Cb 0.00 -0.05 0.06 0.00 0.21 0.00 0.00 66.02 66.25 1x59 s SER 2 CO 0.00 -0.39 0.59 -0.55 0.41 0.00 0.00 173.24 173.30 1x59 s SER 3 N 1.95 -0.52 0.00 2.44 0.15 -1.26 -5.16 113.70 111.30 1x59 s SER 3 Ca 0.11 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1x59 s SER 3 Cb -0.17 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1x59 s SER 3 CO -0.27 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 173.79 1x59 n GLY 4 N -0.37 -1.59 3.15 9.45 0.00 -1.26 -5.02 105.19 109.55 1x59 n GLY 4 Ca -0.16 -1.56 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 1x59 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x59 s SER 5 N -4.00 0.00 -0.74 1.61 1.04 -1.26 -4.93 113.70 105.42 1x59 s SER 5 Ca 0.00 0.80 -0.01 0.00 0.48 0.00 0.00 55.95 57.22 1x59 s SER 5 Cb 0.00 1.01 0.01 0.00 0.10 0.00 0.00 66.02 67.14 1x59 s SER 5 CO 0.00 -0.23 0.05 -0.24 0.98 0.00 0.00 173.24 173.80 1x59 n SER 6 N 5.29 -2.92 -4.71 7.02 2.88 -1.26 -4.96 113.62 114.97 1x59 n SER 6 Ca -0.09 0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 57.26 1x59 n SER 6 Cb 0.50 -2.52 -0.03 0.00 -0.75 0.00 0.00 64.21 61.41 1x59 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x59 s GLY 7 N -2.10 1.74 0.03 0.46 0.00 -1.26 -4.94 107.32 101.25 1x59 s GLY 7 Ca 0.05 1.17 -0.21 0.00 0.00 0.00 0.00 44.72 45.73 1x59 s GLY 7 CO 0.06 2.58 1.29 1.98 0.00 0.00 0.00 173.10 179.01 1x59 h MET 8 N 7.33 0.34 -0.79 2.90 4.05 -1.99 -2.25 114.93 124.51 1x59 h MET 8 Ca -0.42 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 58.78 1x59 h MET 8 Cb 1.20 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.98 1x59 h MET 8 CO 0.90 0.78 0.42 0.00 0.23 0.00 0.00 176.91 179.24 1x59 h ALA 9 N 0.55 1.02 -0.96 0.39 0.00 -1.99 0.81 119.26 119.09 1x59 h ALA 9 Ca 0.01 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1x59 h ALA 9 Cb 0.76 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1x59 h ALA 9 CO 0.04 0.55 0.58 0.93 0.00 0.00 0.00 179.25 181.35 1x59 h GLU 10 N 1.11 1.29 -0.51 0.00 3.07 -1.96 -0.66 114.58 116.92 1x59 h GLU 10 Ca 0.28 -0.12 -0.07 0.00 -0.50 0.00 0.00 59.36 58.95 1x59 h GLU 10 Cb 0.06 -0.27 -0.02 0.00 -0.84 0.00 0.00 28.75 27.68 1x59 h GLU 10 CO -0.04 0.90 0.03 -0.09 -1.40 0.00 0.00 179.01 178.41 1x59 h ARG 11 N 1.32 0.88 -0.57 2.33 2.43 -0.67 -0.60 114.38 119.50 1x59 h ARG 11 Ca 0.34 -0.26 0.02 0.00 -0.81 0.00 0.00 59.98 59.27 1x59 h ARG 11 Cb -0.06 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.37 1x59 h ARG 11 CO -0.07 0.89 0.36 0.00 -1.51 0.00 0.00 179.97 179.65 1x59 h ALA 12 N 0.95 0.73 -0.23 2.80 0.00 -0.46 0.15 119.26 123.20 1x59 h ALA 12 Ca 0.15 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 1x59 h ALA 12 Cb 0.47 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1x59 h ALA 12 CO 0.02 0.12 -0.23 0.00 0.00 0.00 0.00 179.25 179.16 1x59 h ALA 13 N 1.23 1.18 -0.17 0.00 0.00 -0.97 0.47 119.26 121.01 1x59 h ALA 13 Ca 0.22 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1x59 h ALA 13 Cb -0.04 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1x59 h ALA 13 CO -0.07 0.52 -0.09 -0.07 0.00 0.00 0.00 179.25 179.54 1x59 h LEU 14 N 0.38 0.38 -1.51 0.00 3.38 -0.65 -2.43 115.31 114.86 1x59 h LEU 14 Ca 0.06 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1x59 h LEU 14 Cb 0.61 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1x59 h LEU 14 CO 0.04 0.71 0.03 -0.33 0.09 0.00 0.00 178.44 178.99 1x59 h GLU 15 N 0.04 0.34 -0.20 1.13 4.39 -0.50 -0.51 114.58 119.28 1x59 h GLU 15 Ca 0.04 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1x59 h GLU 15 Cb 0.58 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1x59 h GLU 15 CO 0.03 0.35 0.08 1.49 -1.16 0.00 0.00 179.01 179.79 1x59 h GLU 16 N 0.34 0.17 -0.64 2.33 4.81 -0.79 0.18 114.58 120.98 1x59 h GLU 16 Ca 0.08 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1x59 h GLU 16 Cb 0.18 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1x59 h GLU 16 CO 0.00 0.11 0.39 -0.07 -0.73 0.00 0.00 179.01 178.72 1x59 h LEU 17 N 0.18 0.63 -0.03 1.64 3.38 -0.71 0.13 115.31 120.54 1x59 h LEU 17 Ca 0.08 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1x59 h LEU 17 Cb 0.04 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1x59 h LEU 17 CO -0.07 0.44 -0.01 0.58 0.09 0.00 0.00 178.44 179.46 1x59 h VAL 18 N 0.76 0.97 0.58 1.22 2.07 -0.63 0.98 116.25 122.19 1x59 h VAL 18 Ca 0.26 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.76 1x59 h VAL 18 Cb 0.04 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1x59 h VAL 18 CO -0.11 0.00 -0.41 0.50 0.02 0.00 0.00 177.57 177.57 1x59 h LYS 19 N -0.01 -0.92 -0.58 1.57 3.64 -0.25 0.08 116.57 120.12 1x59 h LYS 19 Ca 0.01 0.06 -0.07 0.00 -1.27 0.00 0.00 60.65 59.38 1x59 h LYS 19 Cb 0.03 0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1x59 h LYS 19 CO -0.03 -0.61 0.07 -0.07 -2.27 0.00 0.00 179.45 176.54 1x59 h LEU 20 N -0.95 0.90 -0.17 5.20 -0.00 -0.70 0.25 115.31 119.84 1x59 h LEU 20 Ca -0.07 -0.20 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 1x59 h LEU 20 Cb 0.79 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 41.21 1x59 h LEU 20 CO 0.03 0.91 0.08 -0.61 -0.00 0.00 0.00 178.44 178.86 1x59 h GLN 21 N 0.88 0.24 -0.44 1.13 5.75 -0.75 0.54 115.11 122.47 1x59 h GLN 21 Ca 0.18 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.55 1x59 h GLN 21 Cb 0.42 -0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.91 1x59 h GLN 21 CO 0.01 0.28 -0.11 0.78 -2.65 0.00 0.00 178.83 177.14 1x59 h GLY 22 N 0.14 0.87 0.76 2.39 0.00 -0.32 0.19 103.07 107.10 1x59 h GLY 22 Ca 0.06 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.69 1x59 h GLY 22 CO -0.01 0.61 -0.06 0.83 0.00 0.00 0.00 176.54 177.91 1x59 h GLU 23 N 0.72 0.31 -0.28 4.80 5.08 -0.49 -2.04 114.58 122.68 1x59 h GLU 23 Ca 0.12 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x59 h GLU 23 Cb 0.60 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1x59 h GLU 23 CO 0.04 0.61 0.19 -0.09 -1.00 0.00 0.00 179.01 178.76 1x59 h ARG 24 N -0.01 0.37 -0.74 2.33 2.43 -0.67 0.24 114.38 118.34 1x59 h ARG 24 Ca 0.04 -0.02 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 1x59 h ARG 24 Cb 0.51 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.91 1x59 h ARG 24 CO 0.02 0.25 0.38 0.28 -1.51 0.00 0.00 179.97 179.39 1x59 h VAL 25 N 0.38 0.86 -0.15 0.20 2.07 -1.01 0.36 116.25 118.97 1x59 h VAL 25 Ca 0.10 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 1x59 h VAL 25 Cb -0.04 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.88 1x59 h VAL 25 CO -0.02 0.12 0.06 -0.09 0.02 0.00 0.00 177.57 177.66 1x59 h ARG 26 N 0.65 0.22 -0.30 1.57 2.43 -0.71 -1.53 114.38 116.71 1x59 h ARG 26 Ca 0.36 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.55 1x59 h ARG 26 Cb 0.37 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 1x59 h ARG 26 CO -0.26 0.30 -0.10 0.78 -1.51 0.00 0.00 179.97 179.18 1x59 h GLY 27 N 0.09 0.17 0.86 2.80 0.00 -0.25 -2.03 103.07 104.71 1x59 h GLY 27 Ca 0.05 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1x59 h GLY 27 CO -0.00 -0.13 0.43 1.41 0.00 0.00 0.00 176.54 178.24 1x59 h LEU 28 N -0.04 0.69 -0.85 3.11 3.38 0.09 0.33 115.31 122.02 1x59 h LEU 28 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1x59 h LEU 28 Cb 0.26 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1x59 h LEU 28 CO -0.33 0.48 0.54 0.11 0.09 0.00 0.00 178.44 179.33 1x59 h LYS 29 N 0.83 1.15 -0.45 1.13 1.57 -1.08 -2.13 116.57 117.58 1x59 h LYS 29 Ca 0.28 -0.09 -0.06 0.00 -1.87 0.00 0.00 60.65 58.91 1x59 h LYS 29 Cb 0.03 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 1x59 h LYS 29 CO -0.11 0.79 0.05 0.37 -0.57 0.00 0.00 179.45 179.98 1x59 h GLN 30 N 1.17 0.75 -0.00 3.15 4.15 -0.46 -3.31 115.11 120.55 1x59 h GLN 30 Ca 0.31 -0.21 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1x59 h GLN 30 Cb -0.08 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 27.52 1x59 h GLN 30 CO -0.06 0.79 0.00 0.00 -1.93 0.00 0.00 178.83 177.63 1x59 n GLN 31 N -4.44 1.01 -4.14 1.69 10.64 0.11 -4.87 117.38 117.37 1x59 n GLN 31 Ca 0.00 -0.02 -0.29 0.00 -1.83 0.00 0.00 57.00 54.86 1x59 n GLN 31 Cb 0.26 -1.39 -0.06 0.00 -0.86 0.00 0.00 30.24 28.19 1x59 n GLN 31 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1x59 n LYS 32 N -0.87 -1.92 -1.16 2.61 5.02 -1.09 -4.99 118.16 115.75 1x59 n LYS 32 Ca 0.19 0.23 -0.29 0.00 -2.02 0.00 0.00 58.31 56.42 1x59 n LYS 32 Cb 0.09 -3.95 0.20 0.00 -0.02 0.00 0.00 35.03 31.35 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 -4.16 0.83 -0.25 7.82 0.00 -0.97 -4.94 121.76 120.09 1x59 s ALA 33 Ca 0.03 -0.62 -0.40 0.00 0.00 0.00 0.00 51.96 50.97 1x59 s ALA 33 Cb -0.01 -3.02 -0.15 0.00 0.00 0.00 0.00 23.12 19.94 1x59 s ALA 33 CO 0.95 -3.13 1.74 0.43 0.00 0.00 0.00 175.76 175.75 1x59 n SER 34 N -4.40 2.43 0.15 0.00 7.64 -1.26 -4.84 113.62 113.34 1x59 n SER 34 Ca 0.08 1.07 0.15 0.00 1.01 0.00 0.00 58.87 61.18 1x59 n SER 34 Cb 0.58 -1.16 0.70 0.00 -1.01 0.00 0.00 64.21 63.33 1x59 n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1x59 h ALA 35 N 7.24 2.16 0.00 -0.43 0.00 -1.96 -1.16 119.26 125.10 1x59 h ALA 35 Ca -0.47 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 1x59 h ALA 35 Cb 1.32 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 1x59 h ALA 35 CO 0.95 -0.31 -0.50 1.49 0.00 0.00 0.00 179.25 180.88 1x59 h GLU 36 N 0.00 0.00 0.07 0.00 4.81 -2.00 -2.09 114.58 115.36 1x59 h GLU 36 Ca 0.12 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.25 1x59 h GLU 36 Cb 0.49 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.87 1x59 h GLU 36 CO -0.00 0.50 -0.42 1.25 -0.73 0.00 0.00 179.01 179.61 1x59 h LEU 37 N 0.00 0.22 -0.43 1.64 5.85 -1.75 -3.31 115.31 117.53 1x59 h LEU 37 Ca -0.01 -0.97 0.05 0.00 0.84 0.00 0.00 57.88 57.80 1x59 h LEU 37 Cb 0.90 -0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.77 1x59 h LEU 37 CO 0.07 1.20 -0.55 0.40 -0.34 0.00 0.00 178.44 179.22 1x59 h ILE 38 N -0.70 0.01 0.00 4.05 2.04 -1.11 0.14 117.51 121.95 1x59 h ILE 38 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.77 1x59 h ILE 38 Cb 1.32 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 37.40 1x59 h ILE 38 CO 0.07 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.81 1x59 h GLU 39 N -0.38 0.00 0.04 2.37 5.08 -1.56 0.12 114.58 120.25 1x59 h GLU 39 Ca 0.08 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.19 1x59 h GLU 39 Cb 0.59 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.86 1x59 h GLU 39 CO -0.61 0.08 -1.01 0.93 -1.00 0.00 0.00 179.01 177.40 1x59 h GLU 40 N 0.00 0.62 0.00 2.33 4.39 -1.25 -0.86 114.58 119.81 1x59 h GLU 40 Ca -0.00 -0.72 -0.09 0.00 0.34 0.00 0.00 59.36 58.89 1x59 h GLU 40 Cb 0.23 0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 1x59 h GLU 40 CO 0.01 1.30 -0.43 0.93 -1.16 0.00 0.00 179.01 179.66 1x59 h GLU 41 N 0.24 0.00 -0.13 2.33 4.39 -0.19 -0.60 114.58 120.62 1x59 h GLU 41 Ca -0.14 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.35 1x59 h GLU 41 Cb 1.69 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 30.34 1x59 h GLU 41 CO 0.20 0.43 -0.76 0.28 -1.16 0.00 0.00 179.01 177.99 1x59 h VAL 42 N 0.00 1.31 -0.57 3.13 2.07 -0.79 -0.74 116.25 120.65 1x59 h VAL 42 Ca -0.00 -2.02 -0.09 0.00 0.82 0.00 0.00 66.70 65.40 1x59 h VAL 42 Cb 0.94 2.02 -0.02 0.00 -1.52 0.00 0.00 31.29 32.71 1x59 h VAL 42 CO 0.06 0.63 -0.02 0.00 0.02 0.00 0.00 177.57 178.26 1x59 h ALA 43 N 0.67 0.89 -0.74 1.67 0.00 -0.78 0.53 119.26 121.50 1x59 h ALA 43 Ca -0.05 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.50 1x59 h ALA 43 Cb 1.38 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1x59 h ALA 43 CO 0.15 0.65 0.23 0.87 0.00 0.00 0.00 179.25 181.16 1x59 h LYS 44 N 0.92 1.14 -0.32 0.00 1.57 -1.11 0.12 116.57 118.89 1x59 h LYS 44 Ca 0.16 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1x59 h LYS 44 Cb 0.56 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1x59 h LYS 44 CO 0.03 0.97 0.14 1.25 -0.57 0.00 0.00 179.45 181.27 1x59 h LEU 45 N 1.10 0.40 0.21 2.94 5.85 -0.68 -0.97 115.31 124.16 1x59 h LEU 45 Ca 0.24 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1x59 h LEU 45 Cb 0.30 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1x59 h LEU 45 CO -0.01 0.36 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.28 1x59 h LEU 46 N 0.45 -0.24 -0.05 2.25 3.38 -0.31 -2.96 115.31 117.83 1x59 h LEU 46 Ca 0.11 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.84 1x59 h LEU 46 Cb 0.08 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1x59 h LEU 46 CO -0.01 0.21 -0.32 0.11 0.09 0.00 0.00 178.44 178.51 1x59 h LYS 47 N -0.77 -0.43 0.20 1.13 1.57 -0.53 -0.02 116.57 117.71 1x59 h LYS 47 Ca -0.03 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1x59 h LYS 47 Cb 0.51 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1x59 h LYS 47 CO 0.05 -0.29 -0.20 -0.07 -0.57 0.00 0.00 179.45 178.37 1x59 h LEU 48 N -0.45 -0.54 -1.26 2.94 3.38 -1.33 -2.01 115.31 116.04 1x59 h LEU 48 Ca 0.07 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1x59 h LEU 48 Cb 0.56 0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.43 1x59 h LEU 48 CO -0.30 -0.30 0.56 0.11 0.09 0.00 0.00 178.44 178.60 1x59 h LYS 49 N -0.43 0.77 0.00 1.13 1.57 -1.33 0.54 116.57 118.82 1x59 h LYS 49 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1x59 h LYS 49 Cb 0.41 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1x59 h LYS 49 CO -0.05 0.51 0.00 0.00 -0.57 0.00 0.00 179.45 179.33 1x59 n ALA 50 N -2.42 2.01 -0.07 3.86 0.00 -0.04 -1.01 120.51 122.83 1x59 n ALA 50 Ca 0.15 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 1x59 n ALA 50 Cb 0.36 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.42 1x59 n ALA 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x59 n GLN 51 N -1.14 0.68 0.05 0.00 6.02 0.15 -4.50 117.38 118.64 1x59 n GLN 51 Ca 0.10 0.26 -0.11 0.00 -0.01 0.00 0.00 57.00 57.24 1x59 n GLN 51 Cb 0.09 -1.62 -0.05 0.00 1.02 0.00 0.00 30.24 29.69 1x59 n GLN 51 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1x59 h LEU 52 N -0.20 -0.43 0.00 1.08 -0.00 -1.08 -3.49 115.31 111.18 1x59 h LEU 52 Ca -0.50 0.06 0.00 0.00 -0.00 0.00 0.00 57.88 57.44 1x59 h LEU 52 Cb 1.85 0.18 0.00 0.00 -0.00 0.00 0.00 40.66 42.70 1x59 h LEU 52 CO -0.07 -0.21 0.00 0.61 -0.00 0.00 0.00 178.44 178.77 1x59 n GLY 53 N -1.28 0.27 3.76 0.83 0.00 -0.18 -5.12 105.19 103.46 1x59 n GLY 53 Ca -0.05 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 44.97 1x59 n GLY 53 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x59 s PRO 54 N -0.08 1.09 0.53 1.61 0.04 -1.25 -5.02 135.00 131.93 1x59 s PRO 54 Ca 0.00 0.42 -0.20 0.00 0.04 0.00 0.00 61.00 61.26 1x59 s PRO 54 Cb 0.00 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.65 1x59 s PRO 54 CO 0.00 -2.25 1.11 -0.51 0.04 0.00 0.00 177.00 175.39 1x59 s ASP 55 N -3.84 5.87 -1.23 6.66 1.01 -1.26 -4.92 116.67 118.97 1x59 s ASP 55 Ca 0.64 2.14 -0.15 0.00 0.71 0.00 0.00 52.55 55.88 1x59 s ASP 55 Cb -0.16 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.15 1x59 s ASP 55 CO 0.55 -1.11 2.20 -0.62 0.21 0.00 0.00 175.17 176.40 1x59 n GLU 56 N -1.17 2.47 -2.39 8.23 1.02 -1.26 -4.88 120.64 122.65 1x59 n GLU 56 Ca 0.11 -2.24 -0.39 0.00 -0.02 0.00 0.00 57.16 54.61 1x59 n GLU 56 Cb 0.51 -3.07 -0.02 0.00 -0.02 0.00 0.00 31.44 28.85 1x59 n GLU 56 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1x59 n SER 57 N 6.13 4.36 -1.28 1.62 7.64 -1.26 -4.72 113.62 126.12 1x59 n SER 57 Ca 0.54 -2.85 0.07 0.00 1.01 0.00 0.00 58.87 57.63 1x59 n SER 57 Cb 0.36 -1.73 -0.04 0.00 -1.01 0.00 0.00 64.21 61.79 1x59 n SER 57 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1x59 n LYS 58 N 8.25 -3.18 -0.73 1.43 4.81 -1.26 -4.98 118.16 122.50 1x59 n LYS 58 Ca 0.48 2.53 -0.30 0.00 -0.87 0.00 0.00 58.31 60.15 1x59 n LYS 58 Cb 0.46 -3.35 0.19 0.00 0.02 0.00 0.00 35.03 32.35 1x59 n LYS 58 CO 0.00 0.00 0.00 1.14 1.17 0.00 0.00 177.40 179.71 1x59 s GLN 59 N -4.69 0.36 0.03 1.64 0.00 -1.26 -5.01 119.66 110.73 1x59 s GLN 59 Ca 0.00 1.17 0.00 0.00 -0.00 0.00 0.00 55.36 56.53 1x59 s GLN 59 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 33.01 31.33 1x59 s GLN 59 CO 0.00 -2.96 0.00 1.63 0.00 0.00 0.00 175.29 173.96 1x59 n LYS 60 N -4.42 0.00 -2.18 9.60 5.02 -1.26 -5.04 118.16 119.89 1x59 n LYS 60 Ca 0.08 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.23 1x59 n LYS 60 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.52 1x59 n LYS 60 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1x59 n PHE 61 N -2.60 -1.10 -1.83 2.13 3.72 -1.26 -4.95 117.46 111.57 1x59 n PHE 61 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1x59 n PHE 61 Cb 0.00 -2.87 -0.03 0.00 -0.94 0.00 0.00 39.48 35.64 1x59 n PHE 61 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1x59 s VAL 62 N -2.55 2.77 1.18 -4.37 1.01 -1.26 -4.99 120.40 112.19 1x59 s VAL 62 Ca 0.00 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 1x59 s VAL 62 Cb 0.00 -3.18 0.28 0.00 0.00 0.00 0.00 36.38 33.48 1x59 s VAL 62 CO 0.00 0.00 1.06 -0.76 0.00 0.00 0.00 175.10 175.41 1x59 s LEU 63 N 2.59 0.63 0.19 3.92 1.02 -1.26 -5.10 118.68 120.67 1x59 s LEU 63 Ca 0.77 0.91 0.00 0.00 0.02 0.00 0.00 54.13 55.84 1x59 s LEU 63 Cb -0.43 -2.73 -0.04 0.00 0.02 0.00 0.00 46.19 43.01 1x59 s LEU 63 CO 0.34 -4.10 0.06 -1.59 0.02 0.00 0.00 176.35 171.08 1x59 s LYS 64 N -5.11 1.16 0.94 1.70 -2.85 -1.26 -5.16 119.74 109.15 1x59 s LYS 64 Ca 0.69 -1.59 -0.12 0.00 -1.00 0.00 0.00 55.97 53.96 1x59 s LYS 64 Cb -0.15 -0.04 0.08 0.00 -2.06 0.00 0.00 37.83 35.67 1x59 s LYS 64 CO 0.58 -0.25 0.72 0.25 0.10 0.00 0.00 175.35 176.74 1x59 n THR 65 N -0.27 0.00 -2.25 3.79 -2.24 -1.26 -4.84 114.28 107.21 1x59 n THR 65 Ca -0.03 -0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.31 1x59 n THR 65 Cb 0.65 -0.78 -0.04 0.00 -2.10 0.00 0.00 70.33 68.05 1x59 n THR 65 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1x59 s PRO 66 N -4.06 2.97 -1.27 -0.78 0.04 -1.26 -3.95 135.00 126.70 1x59 s PRO 66 Ca 0.61 -0.70 -0.16 0.00 0.04 0.00 0.00 61.00 60.79 1x59 s PRO 66 Cb -0.22 -5.20 0.01 0.00 0.04 0.00 0.00 34.50 29.13 1x59 s PRO 66 CO 0.64 -2.97 0.60 1.63 0.04 0.00 0.00 177.00 176.93 1x59 n LYS 67 N 8.81 -1.62 -0.15 4.56 5.02 -1.26 -4.87 118.16 128.65 1x59 n LYS 67 Ca 0.38 0.33 0.11 0.00 -2.02 0.00 0.00 58.31 57.12 1x59 n LYS 67 Cb 0.48 -3.87 0.45 0.00 -0.02 0.00 0.00 35.03 32.08 1x59 n LYS 67 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1x59 h SER 68 N -2.03 0.49 -6.15 4.39 4.64 -1.97 -3.47 113.55 109.44 1x59 h SER 68 Ca -0.67 0.01 -0.43 0.00 -0.47 0.00 0.00 61.79 60.24 1x59 h SER 68 Cb 1.38 -0.09 0.05 0.00 -0.31 0.00 0.00 62.40 63.43 1x59 h SER 68 CO 0.55 0.28 -0.87 0.61 -0.87 0.00 0.00 176.83 176.54 1x59 n GLY 69 N -1.49 -0.48 3.55 -0.77 0.00 -1.26 -4.88 105.19 99.86 1x59 n GLY 69 Ca 0.12 0.23 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.98 2.67 0.00 1.61 0.04 -1.26 -4.94 135.00 127.14 1x59 s PRO 70 Ca 0.13 0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1x59 s PRO 70 Cb -0.04 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.82 1x59 s PRO 70 CO 0.83 -2.93 0.00 0.45 0.04 0.00 0.00 177.00 175.39 1x59 n SER 71 N 12.87 0.00 -3.71 6.66 2.88 -1.26 -5.09 113.62 125.97 1x59 n SER 71 Ca 0.28 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.75 1x59 n SER 71 Cb 0.50 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.94 1x59 n SER 71 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x59 s SER 72 N -1.00 -0.28 0.00 -3.46 0.15 -1.26 -5.16 113.70 102.68 1x59 s SER 72 Ca 0.00 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.28 1x59 s SER 72 Cb 0.00 0.58 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 1x59 s SER 72 CO 0.00 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.02