#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4w s SER 2 N 0.00 -0.70 -0.28 1.61 1.04 -1.26 -5.16 113.70 108.95 1x4w s SER 2 Ca 0.00 0.99 -0.19 0.00 0.48 0.00 0.00 55.95 57.23 1x4w s SER 2 Cb 0.00 1.74 0.08 0.00 0.10 0.00 0.00 66.02 67.94 1x4w s SER 2 CO 0.00 -0.14 0.70 -0.94 0.98 0.00 0.00 173.24 173.84 1x4w s SER 3 N 2.41 -0.89 0.00 7.02 1.04 -1.26 -5.15 113.70 116.87 1x4w s SER 3 Ca -0.04 1.50 0.00 0.00 0.48 0.00 0.00 55.95 57.89 1x4w s SER 3 Cb -0.07 1.41 0.00 0.00 0.10 0.00 0.00 66.02 67.46 1x4w s SER 3 CO -0.18 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1x4w n GLY 4 N 3.84 2.43 3.89 7.32 0.00 -1.26 -5.05 105.19 116.37 1x4w n GLY 4 Ca -0.18 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 43.73 1x4w n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4w s SER 5 N 0.00 6.39 -0.68 1.61 0.01 -1.26 -5.06 113.70 114.70 1x4w s SER 5 Ca 0.00 0.42 0.01 0.00 1.31 0.00 0.00 55.95 57.68 1x4w s SER 5 Cb 0.00 -2.04 0.17 0.00 0.21 0.00 0.00 66.02 64.36 1x4w s SER 5 CO 0.00 0.32 0.49 -0.55 0.41 0.00 0.00 173.24 173.92 1x4w s SER 6 N -1.53 5.12 -1.36 2.44 0.15 -1.26 -4.83 113.70 112.42 1x4w s SER 6 Ca 0.22 -3.32 -0.15 0.00 0.70 0.00 0.00 55.95 53.40 1x4w s SER 6 Cb -0.12 -1.77 0.02 0.00 -1.71 0.00 0.00 66.02 62.43 1x4w s SER 6 CO 0.12 -0.23 0.39 0.61 1.20 0.00 0.00 173.24 175.33 1x4w n GLY 7 N 2.79 -0.49 2.83 9.45 0.00 -1.26 -4.94 105.19 113.57 1x4w n GLY 7 Ca 0.13 0.26 -0.14 0.00 0.00 0.00 0.00 46.02 46.27 1x4w n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4w s SER 8 N -3.97 0.95 -0.46 1.61 1.04 -1.26 -5.12 113.70 106.48 1x4w s SER 8 Ca 0.23 -0.26 -0.19 0.00 0.48 0.00 0.00 55.95 56.22 1x4w s SER 8 Cb -0.12 0.77 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1x4w s SER 8 CO 0.96 -0.34 0.56 -0.60 0.98 0.00 0.00 173.24 174.81 1x4w s ARG 9 N 2.44 3.14 -0.35 4.02 3.52 -1.26 -4.91 118.95 125.55 1x4w s ARG 9 Ca 0.10 -0.75 0.12 0.00 -0.13 0.00 0.00 55.73 55.06 1x4w s ARG 9 Cb -0.15 -4.03 0.45 0.00 -1.56 0.00 0.00 34.95 29.67 1x4w s ARG 9 CO -0.22 -1.06 1.09 0.43 -0.81 0.00 0.00 175.30 174.73 1x4w n SER 10 N 5.98 3.45 -0.34 -2.12 7.64 -1.26 -4.88 113.62 122.08 1x4w n SER 10 Ca -0.06 -3.21 0.23 0.00 1.01 0.00 0.00 58.87 56.85 1x4w n SER 10 Cb 0.46 -0.45 0.47 0.00 -1.01 0.00 0.00 64.21 63.68 1x4w n SER 10 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1x4w h LYS 11 N 2.60 0.36 -4.89 1.43 1.63 -1.96 -3.03 116.57 112.71 1x4w h LYS 11 Ca 0.15 -0.02 -0.72 0.00 -0.85 0.00 0.00 60.65 59.20 1x4w h LYS 11 Cb 1.18 -0.08 -0.14 0.00 -0.60 0.00 0.00 32.23 32.60 1x4w h LYS 11 CO 0.64 0.24 1.82 0.94 -3.45 0.00 0.00 179.45 179.63 1x4w n GLN 12 N -4.94 3.31 -0.12 1.90 -0.06 -1.26 -4.77 117.38 111.45 1x4w n GLN 12 Ca 0.30 -3.56 -0.12 0.00 -2.00 0.00 0.00 57.00 51.62 1x4w n GLN 12 Cb 0.96 -3.18 -0.03 0.00 -4.06 0.00 0.00 30.24 23.93 1x4w n GLN 12 CO 0.00 0.00 0.00 -0.22 -0.20 0.00 0.00 177.06 176.64 1x4w h LYS 13 N 7.02 0.78 -3.38 3.69 1.63 -1.91 -3.40 116.57 121.00 1x4w h LYS 13 Ca 0.38 -0.36 -0.57 0.00 -0.85 0.00 0.00 60.65 59.25 1x4w h LYS 13 Cb 0.83 -0.01 -0.40 0.00 -0.60 0.00 0.00 32.23 32.04 1x4w h LYS 13 CO 1.40 0.98 -0.76 -1.12 -3.45 0.00 0.00 179.45 176.50 1x4w s SER 14 N -6.53 3.92 0.36 4.20 0.01 -1.26 -5.00 113.70 109.40 1x4w s SER 14 Ca -0.12 -1.58 0.17 0.00 1.31 0.00 0.00 55.95 55.73 1x4w s SER 14 Cb 0.10 -0.76 1.24 0.00 0.21 0.00 0.00 66.02 66.81 1x4w s SER 14 CO 0.83 -0.42 1.58 0.03 0.41 0.00 0.00 173.24 175.68 1x4w h ARG 15 N 8.13 0.01 -0.90 12.44 3.08 -1.94 0.36 114.38 135.56 1x4w h ARG 15 Ca -0.15 -0.00 0.35 0.00 0.07 0.00 0.00 59.98 60.25 1x4w h ARG 15 Cb 1.01 -0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.90 1x4w h ARG 15 CO 0.46 0.01 0.37 -2.13 -1.07 0.00 0.00 179.97 177.61 1x4w n ARG 16 N -5.30 -0.06 -3.96 0.04 0.63 -1.26 -4.31 116.66 102.45 1x4w n ARG 16 Ca 0.35 1.26 -0.24 0.00 -0.92 0.00 0.00 57.85 58.30 1x4w n ARG 16 Cb 1.19 -2.20 -0.03 0.00 0.45 0.00 0.00 32.46 31.87 1x4w n ARG 16 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1x4w s ARG 17 N -5.48 3.42 1.04 -0.14 0.52 0.13 -2.07 118.95 116.37 1x4w s ARG 17 Ca -0.09 -0.67 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 1x4w s ARG 17 Cb 0.29 -2.93 0.14 0.00 0.52 0.00 0.00 34.95 32.98 1x4w s ARG 17 CO 0.70 0.49 0.64 0.00 0.02 0.00 0.00 175.30 177.14 1x4w n PHE 19 N -4.31 0.00 -0.03 0.00 -0.00 -0.94 -2.91 117.46 109.27 1x4w n PHE 19 Ca 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 57.45 57.47 1x4w n PHE 19 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 40.01 1x4w n PHE 19 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.76 177.70 1x4w n GLN 20 N 0.38 0.13 -0.00 -4.13 -0.06 -1.26 -4.78 117.38 107.66 1x4w n GLN 20 Ca 0.09 0.03 0.03 0.00 -2.00 0.00 0.00 57.00 55.15 1x4w n GLN 20 Cb 0.41 -1.07 -0.04 0.00 -4.06 0.00 0.00 30.24 25.49 1x4w n GLN 20 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1x4w n GLN 22 N -1.24 -6.29 -3.46 0.00 3.00 -1.15 -4.89 117.38 103.35 1x4w n GLN 22 Ca 0.01 0.72 -0.35 0.00 -0.01 0.00 0.00 57.00 57.36 1x4w n GLN 22 Cb 0.11 -5.60 -0.06 0.00 0.00 0.00 0.00 30.24 24.70 1x4w n GLN 22 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 1x4w s THR 23 N -3.41 4.97 0.03 5.09 -1.32 -1.26 -4.52 115.64 115.22 1x4w s THR 23 Ca 0.36 0.67 -0.30 0.00 -1.21 0.00 0.00 61.69 61.21 1x4w s THR 23 Cb -0.17 -3.70 -0.08 0.00 -1.51 0.00 0.00 72.50 67.04 1x4w s THR 23 CO 0.78 0.29 1.91 -0.54 -2.21 0.00 0.00 174.62 174.85 1x4w s LYS 24 N -1.87 4.15 -0.17 7.08 1.02 -1.26 -1.55 119.74 127.14 1x4w s LYS 24 Ca 0.35 2.54 -0.08 0.00 0.02 0.00 0.00 55.97 58.80 1x4w s LYS 24 Cb -0.15 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.01 1x4w s LYS 24 CO 0.18 -0.93 0.10 -0.51 -0.92 0.00 0.00 175.35 173.27 1x4w s LEU 25 N 4.31 4.05 0.71 3.17 1.43 -0.88 -4.97 118.68 126.50 1x4w s LEU 25 Ca 0.86 0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1x4w s LEU 25 Cb -0.41 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 43.81 1x4w s LEU 25 CO 0.39 0.24 1.08 -1.61 0.23 0.00 0.00 176.35 176.68 1x4w s GLU 26 N -0.03 2.70 0.20 1.70 2.02 -1.26 -4.52 118.70 119.51 1x4w s GLU 26 Ca 0.08 1.09 -0.17 0.00 0.02 0.00 0.00 54.97 55.98 1x4w s GLU 26 Cb -0.12 -1.95 0.18 0.00 0.10 0.00 0.00 34.13 32.34 1x4w s GLU 26 CO 0.00 -1.29 1.40 -0.11 0.02 0.00 0.00 175.26 175.28 1x4w n LEU 27 N -3.13 -0.64 -0.05 1.80 -0.00 -1.26 0.37 117.00 114.08 1x4w n LEU 27 Ca 0.08 1.58 -0.09 0.00 -0.00 0.00 0.00 56.01 57.58 1x4w n LEU 27 Cb 0.53 -0.34 -0.02 0.00 -0.00 0.00 0.00 43.42 43.59 1x4w n LEU 27 CO 0.54 -1.40 0.94 -0.37 -0.00 0.00 0.00 177.39 177.10 1x4w h VAL 28 N 0.00 0.99 0.22 1.96 -1.51 -2.00 -3.15 116.25 112.76 1x4w h VAL 28 Ca 0.29 -0.08 -0.00 0.00 -1.23 0.00 0.00 66.70 65.67 1x4w h VAL 28 Cb 0.51 0.73 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 1x4w h VAL 28 CO -0.89 0.04 -0.28 1.56 -1.23 0.00 0.00 177.57 176.78 1x4w h GLN 29 N 0.24 -0.50 -0.81 5.19 1.08 -0.42 0.21 115.11 120.11 1x4w h GLN 29 Ca 0.09 0.03 0.31 0.00 -1.45 0.00 0.00 58.65 57.63 1x4w h GLN 29 Cb 0.03 0.11 -0.11 0.00 -0.05 0.00 0.00 27.48 27.46 1x4w h GLN 29 CO -0.07 -0.33 0.49 1.04 -0.95 0.00 0.00 178.83 179.01 1x4w n GLN 30 N -4.05 -0.03 -0.04 1.46 6.02 0.23 0.15 117.38 121.12 1x4w n GLN 30 Ca -0.06 0.89 -0.18 0.00 -0.01 0.00 0.00 57.00 57.64 1x4w n GLN 30 Cb 0.25 -1.68 -0.13 0.00 1.02 0.00 0.00 30.24 29.69 1x4w n GLN 30 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 1x4w h GLU 31 N 0.00 0.11 0.24 -1.09 4.39 -1.31 -3.20 114.58 113.72 1x4w h GLU 31 Ca 0.59 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 60.09 1x4w h GLU 31 Cb 1.73 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.46 1x4w h GLU 31 CO -0.42 1.09 -0.12 -0.07 -1.16 0.00 0.00 179.01 178.34 1x4w h LEU 32 N -0.73 -0.27 -1.12 1.33 4.07 0.46 -3.19 115.31 115.86 1x4w h LEU 32 Ca -0.16 0.01 0.34 0.00 0.08 0.00 0.00 57.88 58.16 1x4w h LEU 32 Cb 1.34 0.07 -0.14 0.00 1.08 0.00 0.00 40.66 43.01 1x4w h LEU 32 CO 0.00 -0.15 0.63 1.23 -1.08 0.00 0.00 178.44 179.08 1x4w h GLY 33 N -0.42 1.85 -2.90 0.83 0.00 -0.12 -3.42 103.07 98.88 1x4w h GLY 33 Ca -0.03 -0.21 -0.45 0.00 0.00 0.00 0.00 47.33 46.64 1x4w h GLY 33 CO 0.05 -0.46 -1.00 -1.14 0.00 0.00 0.00 176.54 174.00 1x4w n SER 34 N -4.95 -3.18 -4.38 0.19 3.41 -1.21 -3.69 113.62 99.81 1x4w n SER 34 Ca 0.33 0.43 -0.30 0.00 -0.26 0.00 0.00 58.87 59.06 1x4w n SER 34 Cb 1.08 -0.64 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 1x4w n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4w h ARG 36 N 1.53 0.24 -0.87 0.00 3.08 -1.94 -3.36 114.38 113.05 1x4w h ARG 36 Ca -0.39 -0.40 0.17 0.00 0.07 0.00 0.00 59.98 59.43 1x4w h ARG 36 Cb 1.30 0.15 -0.10 0.00 0.08 0.00 0.00 29.97 31.40 1x4w h ARG 36 CO 0.63 1.08 0.43 0.00 -1.07 0.00 0.00 179.97 181.04 1x4w n GLY 38 N -1.33 0.78 3.06 0.00 0.00 -1.26 -5.02 105.19 101.42 1x4w n GLY 38 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.09 1x4w n GLY 38 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x4w s TYR 39 N -0.78 0.64 -0.14 1.61 1.51 -1.26 -5.01 117.35 113.92 1x4w s TYR 39 Ca 0.00 -0.55 -0.01 0.00 -1.01 0.00 0.00 57.07 55.50 1x4w s TYR 39 Cb 0.00 -0.39 -0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1x4w s TYR 39 CO 0.00 -0.11 -0.11 0.08 -1.11 0.00 0.00 175.55 174.30 1x4w s VAL 40 N -1.65 3.21 0.44 0.71 1.01 -1.26 -1.05 120.40 121.80 1x4w s VAL 40 Ca -0.08 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.33 1x4w s VAL 40 Cb -0.08 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1x4w s VAL 40 CO -0.00 0.52 0.04 -0.36 0.00 0.00 0.00 175.10 175.29 1x4w s PHE 41 N 0.40 2.01 0.88 5.22 0.08 -1.24 -2.20 117.98 123.11 1x4w s PHE 41 Ca -0.09 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 55.88 1x4w s PHE 41 Cb -0.16 -1.49 0.17 0.00 -0.57 0.00 0.00 43.02 40.97 1x4w s PHE 41 CO 0.05 0.12 1.21 0.00 -0.10 0.00 0.00 175.22 176.50 1x4w n MET 43 N -3.45 0.01 -0.08 0.00 1.56 -1.26 0.13 117.12 114.04 1x4w n MET 43 Ca 0.15 0.38 -0.05 0.00 -0.27 0.00 0.00 57.70 57.91 1x4w n MET 43 Cb 0.60 -1.50 -0.15 0.00 2.15 0.00 0.00 33.22 34.31 1x4w n MET 43 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1x4w n LEU 44 N -1.47 0.00 -0.30 -0.89 4.77 -1.26 -4.43 117.00 113.43 1x4w n LEU 44 Ca 0.01 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.07 1x4w n LEU 44 Cb 0.06 0.38 0.14 0.00 -2.33 0.00 0.00 43.42 41.66 1x4w n LEU 44 CO 0.05 0.38 0.59 1.41 -1.33 0.00 0.00 177.39 178.49 1x4w n HIS 45 N -2.61 0.26 -0.00 -1.77 8.25 -0.52 -4.66 115.22 114.17 1x4w n HIS 45 Ca -0.26 -0.81 -0.04 0.00 -0.26 0.00 0.00 57.72 56.35 1x4w n HIS 45 Cb 1.01 -0.15 0.20 0.00 1.12 0.00 0.00 29.99 32.16 1x4w n HIS 45 CO 0.00 0.00 0.00 0.07 0.64 0.00 0.00 176.34 177.05 1x4w h ARG 46 N 0.62 0.53 -7.18 -0.41 0.11 0.93 -3.41 114.38 105.57 1x4w h ARG 46 Ca 0.00 -0.19 -0.54 0.00 0.10 0.00 0.00 59.98 59.35 1x4w h ARG 46 Cb 0.97 -0.04 0.17 0.00 1.11 0.00 0.00 29.97 32.18 1x4w h ARG 46 CO 0.05 0.71 0.40 -0.51 0.10 0.00 0.00 179.97 180.72 1x4w s LEU 47 N -8.74 3.30 -0.02 0.08 1.43 -1.26 -4.88 118.68 108.58 1x4w s LEU 47 Ca -0.07 2.41 -0.25 0.00 -1.03 0.00 0.00 54.13 55.18 1x4w s LEU 47 Cb 0.14 -4.59 -0.19 0.00 0.03 0.00 0.00 46.19 41.57 1x4w s LEU 47 CO 0.79 -2.37 1.22 1.55 0.23 0.00 0.00 176.35 177.78 1x4w h PRO 48 N -0.36 -0.07 -0.11 1.29 0.13 -1.96 -3.12 132.00 127.79 1x4w h PRO 48 Ca -0.48 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1x4w h PRO 48 Cb 1.30 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1x4w h PRO 48 CO 0.49 0.39 0.10 1.05 -0.23 0.00 0.00 178.00 179.81 1x4w h GLU 49 N -0.56 0.00 -0.68 0.86 9.09 -1.92 0.20 114.58 121.58 1x4w h GLU 49 Ca -0.01 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.36 1x4w h GLU 49 Cb 0.49 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.56 1x4w h GLU 49 CO 0.01 0.00 0.27 1.96 0.05 0.00 0.00 179.01 181.30 1x4w h GLN 50 N 0.00 1.02 -0.71 1.06 7.50 -1.87 -2.99 115.11 119.13 1x4w h GLN 50 Ca 0.05 -0.19 -0.48 0.00 0.50 0.00 0.00 58.65 58.54 1x4w h GLN 50 Cb 0.26 -0.16 -0.30 0.00 0.05 0.00 0.00 27.48 27.33 1x4w h GLN 50 CO -0.00 0.85 -0.12 -2.39 -1.50 0.00 0.00 178.83 175.67 1x4w n HIS 51 N -4.39 2.41 -3.91 2.96 1.44 -0.57 -4.93 115.22 108.23 1x4w n HIS 51 Ca 0.05 -2.26 -0.32 0.00 -2.01 0.00 0.00 57.72 53.18 1x4w n HIS 51 Cb 0.18 -0.70 -0.07 0.00 0.12 0.00 0.00 29.99 29.52 1x4w n HIS 51 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1x4w n ASP 52 N -0.90 -1.00 -3.43 4.39 2.03 -0.72 -4.68 116.55 112.25 1x4w n ASP 52 Ca 0.46 -0.99 -0.37 0.00 0.52 0.00 0.00 54.79 54.42 1x4w n ASP 52 Cb 0.92 -1.26 -0.02 0.00 -0.72 0.00 0.00 41.12 40.04 1x4w n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x4w h THR 54 N 0.69 0.94 -2.52 0.00 1.03 -1.91 -3.48 112.91 107.68 1x4w h THR 54 Ca -0.23 -2.74 -0.41 0.00 -0.01 0.00 0.00 66.41 63.01 1x4w h THR 54 Cb 1.13 2.52 0.22 0.00 -1.07 0.00 0.00 68.15 70.94 1x4w h THR 54 CO 0.43 0.63 -0.65 0.33 -0.01 0.00 0.00 175.52 176.26 1x4w n PHE 55 N -3.19 -1.76 -3.83 0.00 7.35 -1.26 -4.97 117.46 109.81 1x4w n PHE 55 Ca -0.17 -0.06 -0.33 0.00 -0.76 0.00 0.00 57.45 56.13 1x4w n PHE 55 Cb 1.04 -1.55 -0.12 0.00 0.35 0.00 0.00 39.48 39.21 1x4w n PHE 55 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1x4w s ASP 56 N -2.11 4.81 0.99 -2.13 1.11 -1.26 -5.09 116.67 112.99 1x4w s ASP 56 Ca 0.58 -3.02 -0.12 0.00 0.18 0.00 0.00 52.55 50.17 1x4w s ASP 56 Cb -0.15 -1.75 0.18 0.00 1.07 0.00 0.00 42.92 42.28 1x4w s ASP 56 CO 0.61 -0.28 1.10 -1.00 1.18 0.00 0.00 175.17 176.78 1x4w s HIS 57 N -0.30 2.16 -1.05 4.23 3.76 -1.26 -4.85 115.29 117.97 1x4w s HIS 57 Ca 0.18 0.98 -0.24 0.00 -0.15 0.00 0.00 55.06 55.82 1x4w s HIS 57 Cb -0.22 -3.28 -0.10 0.00 1.11 0.00 0.00 32.58 30.09 1x4w s HIS 57 CO -0.03 -2.82 2.01 1.41 -0.85 0.00 0.00 174.74 174.46 1x4w s MET 58 N -5.00 2.22 0.00 1.40 1.75 -1.26 -4.12 119.30 114.29 1x4w s MET 58 Ca 0.65 -0.64 0.00 0.00 -1.25 0.00 0.00 55.69 54.45 1x4w s MET 58 Cb -0.18 -5.11 0.00 0.00 2.84 0.00 0.00 34.83 32.38 1x4w s MET 58 CO 0.57 -4.09 0.00 0.41 -0.65 0.00 0.00 175.02 171.26 1x4w n GLY 59 N 6.26 -1.83 3.59 2.11 0.00 -1.26 -5.09 105.19 108.98 1x4w n GLY 59 Ca 0.43 0.59 -0.42 0.00 0.00 0.00 0.00 46.02 46.62 1x4w n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x4w s ARG 60 N 0.00 3.45 0.00 1.61 3.00 -1.26 -4.68 118.95 121.07 1x4w s ARG 60 Ca 0.00 0.77 0.00 0.00 -1.00 0.00 0.00 55.73 55.50 1x4w s ARG 60 Cb 0.00 -4.07 0.00 0.00 0.00 0.00 0.00 34.95 30.88 1x4w s ARG 60 CO 0.00 -1.74 0.00 0.41 0.00 0.00 0.00 175.30 173.97 1x4w n GLY 61 N 5.17 -0.74 0.11 8.12 0.00 -1.26 -4.93 105.19 111.65 1x4w n GLY 61 Ca 0.15 0.33 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 1x4w n GLY 61 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4w n SER 62 N -0.34 1.90 -4.68 1.61 7.64 -1.26 -4.97 113.62 113.52 1x4w n SER 62 Ca 0.00 0.42 -0.38 0.00 1.01 0.00 0.00 58.87 59.92 1x4w n SER 62 Cb 0.00 -0.86 0.05 0.00 -1.01 0.00 0.00 64.21 62.38 1x4w n SER 62 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4w n GLY 63 N 1.41 0.25 0.00 0.23 0.00 -1.26 -4.84 105.19 100.98 1x4w n GLY 63 Ca -0.32 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.71 1x4w n GLY 63 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4w n PRO 64 N -0.99 0.49 -3.58 1.61 -0.04 -1.26 -4.73 135.00 126.50 1x4w n PRO 64 Ca 0.12 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.22 1x4w n PRO 64 Cb 0.45 -1.29 -0.06 0.00 -0.04 0.00 0.00 33.50 32.57 1x4w n PRO 64 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1x4w s SER 65 N -1.79 6.69 0.03 3.54 0.01 -1.26 -5.09 113.70 115.82 1x4w s SER 65 Ca 0.14 0.83 -0.10 0.00 1.31 0.00 0.00 55.95 58.13 1x4w s SER 65 Cb 0.06 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.10 1x4w s SER 65 CO 0.10 0.26 0.20 -0.55 0.41 0.00 0.00 173.24 173.66 1x4w s SER 66 N -1.40 0.02 0.00 2.44 0.15 -1.26 -4.39 113.70 109.25 1x4w s SER 66 Ca 0.27 -0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.60 1x4w s SER 66 Cb -0.15 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1x4w s SER 66 CO 0.15 -0.53 0.00 0.61 1.20 0.00 0.00 173.24 174.66