#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 -0.46 0.05 1.61 1.04 -1.26 -5.17 113.70 109.50 1x4w s SER 2 Ca 0.00 0.77 0.06 0.00 0.48 0.00 0.00 55.95 57.26 1x4w s SER 2 Cb 0.00 1.10 -0.03 0.00 0.10 0.00 0.00 66.02 67.18 1x4w s SER 2 CO 0.00 -0.12 -0.12 -0.55 0.98 0.00 0.00 173.24 173.42 1x4w s SER 3 N 1.07 4.23 -0.30 7.02 0.15 -1.26 -5.10 113.70 119.50 1x4w s SER 3 Ca -0.06 -0.33 0.05 0.00 0.70 0.00 0.00 55.95 56.31 1x4w s SER 3 Cb -0.04 -0.82 0.18 0.00 -1.71 0.00 0.00 66.02 63.63 1x4w s SER 3 CO -0.13 0.24 0.52 -0.83 1.20 0.00 0.00 173.24 174.24 1x4w s GLY 4 N -1.65 -0.97 -0.33 9.45 0.00 -1.26 -5.12 107.32 107.44 1x4w s GLY 4 Ca 0.17 0.62 -0.20 0.00 0.00 0.00 0.00 44.72 45.31 1x4w s GLY 4 CO 0.08 3.42 0.59 -0.56 0.00 0.00 0.00 173.10 176.63 1x4w s SER 5 N 2.61 6.42 -0.08 1.64 0.01 -1.26 -5.04 113.70 118.00 1x4w s SER 5 Ca 0.11 0.22 -0.00 0.00 1.31 0.00 0.00 55.95 57.58 1x4w s SER 5 Cb -0.11 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.84 1x4w s SER 5 CO -0.26 -0.50 -0.04 -0.94 0.41 0.00 0.00 173.24 171.91 1x4w s SER 6 N 1.72 1.68 0.00 2.44 1.04 -1.26 -4.90 113.70 114.42 1x4w s SER 6 Ca 0.23 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1x4w s SER 6 Cb -0.15 -0.61 0.00 0.00 0.10 0.00 0.00 66.02 65.36 1x4w s SER 6 CO 0.13 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1x4w n GLY 7 N 4.76 0.32 3.45 7.32 0.00 -1.26 -5.08 105.19 114.70 1x4w n GLY 7 Ca -0.14 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 1x4w n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4w s SER 8 N 0.00 6.42 -0.27 1.61 0.01 -1.26 -4.96 113.70 115.25 1x4w s SER 8 Ca 0.00 -1.58 -0.02 0.00 1.31 0.00 0.00 55.95 55.67 1x4w s SER 8 Cb 0.00 -2.41 0.09 0.00 0.21 0.00 0.00 66.02 63.91 1x4w s SER 8 CO 0.00 -1.23 0.08 -0.13 0.41 0.00 0.00 173.24 172.37 1x4w s ARG 9 N 3.30 0.67 -0.85 12.44 0.52 -1.26 -5.08 118.95 128.69 1x4w s ARG 9 Ca 0.28 -0.81 -0.19 0.00 -0.52 0.00 0.00 55.73 54.49 1x4w s ARG 9 Cb -0.11 -1.96 0.13 0.00 0.52 0.00 0.00 34.95 33.53 1x4w s ARG 9 CO -0.01 -0.87 1.04 -1.54 0.02 0.00 0.00 175.30 173.94 1x4w s SER 10 N 1.74 6.53 0.41 0.23 1.04 -1.26 -5.01 113.70 117.37 1x4w s SER 10 Ca 0.06 -1.88 0.08 0.00 0.48 0.00 0.00 55.95 54.68 1x4w s SER 10 Cb -0.17 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.54 1x4w s SER 10 CO -0.21 -1.09 0.32 -0.75 0.98 0.00 0.00 173.24 172.50 1x4w s LYS 11 N 2.71 2.48 -0.39 4.02 2.47 -1.26 -4.73 119.74 125.04 1x4w s LYS 11 Ca 0.28 -1.58 -0.02 0.00 -1.56 0.00 0.00 55.97 53.10 1x4w s LYS 11 Cb -0.09 -2.30 0.00 0.00 -1.46 0.00 0.00 37.83 33.98 1x4w s LYS 11 CO -0.05 -0.14 0.34 0.94 0.16 0.00 0.00 175.35 176.59 1x4w n GLN 12 N -1.46 -2.26 -0.37 4.03 -0.06 -1.26 -4.90 117.38 111.09 1x4w n GLN 12 Ca 0.02 0.25 0.31 0.00 -2.00 0.00 0.00 57.00 55.58 1x4w n GLN 12 Cb 0.62 -3.51 0.57 0.00 -4.06 0.00 0.00 30.24 23.86 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 -0.73 0.14 -3.52 3.69 1.63 -1.90 -3.42 116.57 112.47 1x4w h LYS 13 Ca -0.17 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.56 1x4w h LYS 13 Cb 1.11 -0.03 -0.13 0.00 -0.60 0.00 0.00 32.23 32.58 1x4w h LYS 13 CO 0.16 0.09 -0.15 -1.12 -3.45 0.00 0.00 179.45 174.99 1x4w s SER 14 N -4.65 -0.14 -0.10 4.20 0.01 -1.26 -5.03 113.70 106.73 1x4w s SER 14 Ca -0.09 -0.47 -0.00 0.00 1.31 0.00 0.00 55.95 56.70 1x4w s SER 14 Cb 0.31 0.46 0.07 0.00 0.21 0.00 0.00 66.02 67.07 1x4w s SER 14 CO 0.80 -0.86 1.94 0.54 0.41 0.00 0.00 173.24 176.07 1x4w n ARG 15 N -0.21 1.26 -0.00 12.44 3.00 -1.26 -3.60 116.66 128.29 1x4w n ARG 15 Ca -0.14 -0.51 -0.00 0.00 -0.01 0.00 0.00 57.85 57.19 1x4w n ARG 15 Cb 0.63 -1.20 -0.00 0.00 0.00 0.00 0.00 32.46 31.89 1x4w n ARG 15 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 1x4w n ARG 16 N 1.06 0.24 -4.49 5.56 0.63 -1.26 -4.66 116.66 113.75 1x4w n ARG 16 Ca 0.10 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.69 1x4w n ARG 16 Cb 0.54 -1.01 -0.11 0.00 0.45 0.00 0.00 32.46 32.33 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 -2.01 3.12 1.01 -0.14 0.52 -1.24 0.97 118.95 121.19 1x4w s ARG 17 Ca -0.00 -0.50 -0.22 0.00 -0.52 0.00 0.00 55.73 54.48 1x4w s ARG 17 Cb 0.00 -2.75 -0.12 0.00 0.52 0.00 0.00 34.95 32.60 1x4w s ARG 17 CO 0.01 0.53 -0.96 0.00 0.02 0.00 0.00 175.30 174.90 1x4w n PHE 19 N -3.37 0.00 0.00 0.00 -0.00 -0.91 -2.75 117.46 110.44 1x4w n PHE 19 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1x4w n PHE 19 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.15 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 0.52 0.00 0.00 -4.13 -0.06 -1.26 -4.76 117.38 107.69 1x4w n GLN 20 Ca 0.11 0.00 0.04 0.00 -2.00 0.00 0.00 57.00 55.15 1x4w n GLN 20 Cb 0.51 -0.91 -0.02 0.00 -4.06 0.00 0.00 30.24 25.75 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 -0.73 -4.23 -3.24 0.00 3.00 -1.11 -4.83 117.38 106.23 1x4w n GLN 22 Ca 0.03 0.48 -0.38 0.00 -0.01 0.00 0.00 57.00 57.11 1x4w n GLN 22 Cb 0.16 -5.19 -0.06 0.00 0.00 0.00 0.00 30.24 25.15 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 -3.40 4.70 -0.01 5.09 -1.32 -1.26 -4.40 115.64 115.05 1x4w s THR 23 Ca 0.58 1.23 -0.36 0.00 -1.21 0.00 0.00 61.69 61.94 1x4w s THR 23 Cb -0.31 -3.90 -0.14 0.00 -1.51 0.00 0.00 72.50 66.64 1x4w s THR 23 CO 0.88 0.50 1.64 0.29 -2.21 0.00 0.00 174.62 175.72 1x4w n LYS 24 N 1.56 1.75 -4.40 7.08 5.02 -1.26 -1.87 118.16 126.03 1x4w n LYS 24 Ca -0.09 0.63 -0.34 0.00 -2.02 0.00 0.00 58.31 56.50 1x4w n LYS 24 Cb 0.51 -2.38 -0.12 0.00 -0.02 0.00 0.00 35.03 33.02 1x4w n LYS 24 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x4w s LEU 25 N 2.18 3.26 0.63 -0.35 1.43 0.27 -4.94 118.68 121.17 1x4w s LEU 25 Ca 0.88 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.70 1x4w s LEU 25 Cb -0.82 -1.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.60 1x4w s LEU 25 CO 0.49 0.17 1.10 -1.61 0.23 0.00 0.00 176.35 176.73 1x4w s GLU 26 N 0.34 2.96 0.35 1.70 2.02 -1.26 -4.53 118.70 120.28 1x4w s GLU 26 Ca -0.04 1.39 0.18 0.00 0.02 0.00 0.00 54.97 56.52 1x4w s GLU 26 Cb -0.14 -1.97 1.23 0.00 0.10 0.00 0.00 34.13 33.35 1x4w s GLU 26 CO 0.03 -1.12 1.50 1.28 0.02 0.00 0.00 175.26 176.97 1x4w n LEU 27 N -2.20 0.29 -0.05 1.80 7.99 -1.26 0.11 117.00 123.68 1x4w n LEU 27 Ca 0.10 1.58 -0.13 0.00 -0.01 0.00 0.00 56.01 57.56 1x4w n LEU 27 Cb 0.52 -0.75 -0.07 0.00 -0.11 0.00 0.00 43.42 43.01 1x4w n LEU 27 CO 0.47 -1.76 0.64 -0.37 -1.51 0.00 0.00 177.39 174.86 1x4w h VAL 28 N 0.00 1.33 0.52 4.08 -1.51 -2.00 -3.27 116.25 115.40 1x4w h VAL 28 Ca 0.79 -1.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.04 1x4w h VAL 28 Cb 2.05 1.80 -0.00 0.00 -2.13 0.00 0.00 31.29 33.01 1x4w h VAL 28 CO -0.75 0.35 -0.32 1.56 -1.23 0.00 0.00 177.57 177.18 1x4w h GLN 29 N -0.03 -0.76 -1.26 5.19 1.08 0.43 0.24 115.11 120.00 1x4w h GLN 29 Ca 0.03 0.05 0.39 0.00 -1.45 0.00 0.00 58.65 57.67 1x4w h GLN 29 Cb 0.59 0.17 -0.08 0.00 -0.05 0.00 0.00 27.48 28.12 1x4w h GLN 29 CO 0.03 -0.51 0.87 1.04 -0.95 0.00 0.00 178.83 179.31 1x4w n GLN 30 N -4.37 -0.01 -0.07 1.46 6.02 -0.31 0.13 117.38 120.23 1x4w n GLN 30 Ca -0.10 0.85 -0.22 0.00 -0.01 0.00 0.00 57.00 57.53 1x4w n GLN 30 Cb 0.33 -1.83 -0.12 0.00 1.02 0.00 0.00 30.24 29.63 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 0.08 0.15 -1.09 4.39 -1.46 -3.34 114.58 113.31 1x4w h GLU 31 Ca 0.67 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 60.24 1x4w h GLU 31 Cb 2.48 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.18 1x4w h GLU 31 CO -0.16 1.06 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.61 1x4w h LEU 32 N -0.72 -0.17 -1.56 1.33 4.07 0.45 -3.25 115.31 115.45 1x4w h LEU 32 Ca -0.35 0.01 0.50 0.00 0.08 0.00 0.00 57.88 58.11 1x4w h LEU 32 Cb 1.49 0.04 -0.11 0.00 1.08 0.00 0.00 40.66 43.16 1x4w h LEU 32 CO -0.12 -0.02 1.07 0.61 -1.08 0.00 0.00 178.44 178.90 1x4w n GLY 33 N 0.62 -0.86 3.27 0.83 0.00 0.21 -4.57 105.19 104.68 1x4w n GLY 33 Ca -0.03 0.70 -0.38 0.00 0.00 0.00 0.00 46.02 46.31 1x4w n GLY 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x4w n SER 34 N -4.27 -3.39 -4.67 1.61 3.41 -1.23 -3.50 113.62 101.58 1x4w n SER 34 Ca 0.40 0.60 -0.33 0.00 -0.26 0.00 0.00 58.87 59.28 1x4w n SER 34 Cb 1.68 -0.92 -0.07 0.00 -0.26 0.00 0.00 64.21 64.65 1x4w n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1x4w n ARG 36 N -1.27 0.72 -0.26 0.00 1.74 -1.26 -4.19 116.66 112.14 1x4w n ARG 36 Ca -0.20 0.28 0.07 0.00 -0.77 0.00 0.00 57.85 57.23 1x4w n ARG 36 Cb 0.67 -1.74 0.20 0.00 -1.02 0.00 0.00 32.46 30.57 1x4w n ARG 36 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x4w n GLY 38 N -1.34 0.50 3.00 0.00 0.00 -1.26 -5.02 105.19 101.07 1x4w n GLY 38 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.50 0.15 -0.15 1.61 1.51 -1.26 -5.03 117.35 113.68 1x4w s TYR 39 Ca 0.00 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.70 1x4w s TYR 39 Cb 0.00 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1x4w s TYR 39 CO 0.00 -0.18 -0.02 0.08 -1.11 0.00 0.00 175.55 174.32 1x4w s VAL 40 N -1.19 4.09 0.43 0.71 1.01 -1.26 -1.47 120.40 122.73 1x4w s VAL 40 Ca -0.13 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1x4w s VAL 40 Cb -0.08 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.49 1x4w s VAL 40 CO -0.00 0.50 0.09 -0.36 0.00 0.00 0.00 175.10 175.33 1x4w s PHE 41 N 0.21 1.83 0.73 5.22 0.08 -1.23 -2.13 117.98 122.69 1x4w s PHE 41 Ca -0.01 -1.17 -0.07 0.00 0.12 0.00 0.00 56.93 55.81 1x4w s PHE 41 Cb -0.13 -1.30 0.16 0.00 -0.57 0.00 0.00 43.02 41.17 1x4w s PHE 41 CO 0.02 -0.12 0.99 0.00 -0.10 0.00 0.00 175.22 176.01 1x4w n MET 43 N -2.98 0.14 -0.06 0.00 1.56 -1.26 0.11 117.12 114.64 1x4w n MET 43 Ca 0.14 0.19 -0.02 0.00 -0.27 0.00 0.00 57.70 57.74 1x4w n MET 43 Cb 0.50 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.23 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 -1.30 0.00 -0.06 -0.89 4.77 -1.26 -4.47 117.00 113.79 1x4w n LEU 44 Ca 0.05 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1x4w n LEU 44 Cb 0.09 0.28 0.09 0.00 -2.33 0.00 0.00 43.42 41.55 1x4w n LEU 44 CO 0.08 0.28 0.54 1.41 -1.33 0.00 0.00 177.39 178.37 1x4w n HIS 45 N -2.48 0.00 0.14 -1.77 8.25 -0.77 -4.68 115.22 113.91 1x4w n HIS 45 Ca -0.20 -0.80 -0.01 0.00 -0.26 0.00 0.00 57.72 56.45 1x4w n HIS 45 Cb 0.87 -0.11 0.22 0.00 1.12 0.00 0.00 29.99 32.08 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 0.00 0.07 -7.12 -0.41 0.11 0.55 -3.42 114.38 104.17 1x4w h ARG 46 Ca 0.00 -0.04 -0.51 0.00 0.10 0.00 0.00 59.98 59.53 1x4w h ARG 46 Cb 0.84 0.00 0.09 0.00 1.11 0.00 0.00 29.97 32.01 1x4w h ARG 46 CO 0.00 0.58 0.42 -0.51 0.10 0.00 0.00 179.97 180.56 1x4w s LEU 47 N -7.89 3.65 0.02 0.08 1.43 -1.26 -4.85 118.68 109.85 1x4w s LEU 47 Ca -0.02 2.16 -0.22 0.00 -1.03 0.00 0.00 54.13 55.02 1x4w s LEU 47 Cb 0.13 -4.58 -0.16 0.00 0.03 0.00 0.00 46.19 41.62 1x4w s LEU 47 CO 0.76 -1.38 1.33 1.55 0.23 0.00 0.00 176.35 178.84 1x4w h PRO 48 N 0.86 0.27 -0.07 1.29 0.13 -1.96 -3.03 132.00 129.48 1x4w h PRO 48 Ca -0.49 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 64.52 1x4w h PRO 48 Cb 1.26 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1x4w h PRO 48 CO 0.56 0.67 0.10 1.05 -0.23 0.00 0.00 178.00 180.15 1x4w h GLU 49 N -0.13 0.00 -0.24 0.86 4.11 -1.93 0.11 114.58 117.36 1x4w h GLU 49 Ca 0.02 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.36 1x4w h GLU 49 Cb 0.62 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 1x4w h GLU 49 CO 0.03 0.00 -0.20 1.96 0.07 0.00 0.00 179.01 180.87 1x4w h GLN 50 N 0.00 0.56 -0.64 1.06 1.08 -1.87 -3.22 115.11 112.08 1x4w h GLN 50 Ca 0.03 -0.28 -0.39 0.00 -1.45 0.00 0.00 58.65 56.56 1x4w h GLN 50 Cb 0.24 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.44 1x4w h GLN 50 CO -0.00 0.86 0.04 -2.39 -0.95 0.00 0.00 178.83 176.39 1x4w n HIS 51 N -4.40 2.08 -3.78 2.96 1.44 -0.61 -4.94 115.22 107.97 1x4w n HIS 51 Ca -0.04 -2.04 -0.25 0.00 -2.01 0.00 0.00 57.72 53.37 1x4w n HIS 51 Cb 0.41 -0.70 -0.07 0.00 0.12 0.00 0.00 29.99 29.75 1x4w n HIS 51 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1x4w n ASP 52 N -1.01 0.04 -4.00 4.39 8.00 -0.04 -4.68 116.55 119.25 1x4w n ASP 52 Ca 0.44 -0.92 -0.43 0.00 0.71 0.00 0.00 54.79 54.59 1x4w n ASP 52 Cb 1.03 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1x4w n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x4w h THR 54 N 0.85 1.27 -2.95 0.00 1.03 -1.92 -3.47 112.91 107.72 1x4w h THR 54 Ca -0.26 -2.98 -0.41 0.00 -0.01 0.00 0.00 66.41 62.75 1x4w h THR 54 Cb 1.31 2.61 0.22 0.00 -1.07 0.00 0.00 68.15 71.22 1x4w h THR 54 CO 0.51 0.72 -0.17 0.33 -0.01 0.00 0.00 175.52 176.90 1x4w n PHE 55 N -3.21 -2.16 -3.76 0.00 7.35 -1.26 -5.00 117.46 109.42 1x4w n PHE 55 Ca -0.06 -0.35 -0.28 0.00 -0.76 0.00 0.00 57.45 56.00 1x4w n PHE 55 Cb 0.95 -1.56 -0.12 0.00 0.35 0.00 0.00 39.48 39.11 1x4w n PHE 55 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1x4w s ASP 56 N -2.52 3.85 0.44 -2.13 -1.08 -1.26 -5.09 116.67 108.87 1x4w s ASP 56 Ca 0.66 -3.48 -0.25 0.00 -0.52 0.00 0.00 52.55 48.97 1x4w s ASP 56 Cb -0.20 -1.28 -0.09 0.00 -1.46 0.00 0.00 42.92 39.89 1x4w s ASP 56 CO 0.62 -0.13 1.22 1.41 0.52 0.00 0.00 175.17 178.81 1x4w n HIS 57 N 2.42 1.93 -3.98 -5.34 8.25 -1.26 -5.01 115.22 112.24 1x4w n HIS 57 Ca 0.20 0.50 -0.22 0.00 -0.26 0.00 0.00 57.72 57.94 1x4w n HIS 57 Cb 0.38 -2.34 -0.05 0.00 1.12 0.00 0.00 29.99 29.10 1x4w n HIS 57 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1x4w s MET 58 N -2.26 2.68 0.00 -0.41 -1.94 -1.26 -4.98 119.30 111.14 1x4w s MET 58 Ca 0.63 -1.29 0.00 0.00 -1.71 0.00 0.00 55.69 53.32 1x4w s MET 58 Cb -0.50 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 33.91 1x4w s MET 58 CO 0.57 0.20 0.00 0.41 -0.01 0.00 0.00 175.02 176.18 1x4w n GLY 59 N -1.25 0.05 3.84 -0.03 0.00 -1.26 -5.02 105.19 101.53 1x4w n GLY 59 Ca -0.04 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1x4w n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x4w n ARG 60 N -0.47 -0.88 0.00 1.61 1.85 -1.26 -4.51 116.66 113.00 1x4w n ARG 60 Ca 0.00 0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.93 1x4w n ARG 60 Cb 0.00 -3.08 0.00 0.00 -1.05 0.00 0.00 32.46 28.33 1x4w n ARG 60 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x4w n GLY 61 N -1.64 -0.28 3.94 2.89 0.00 -1.26 -5.14 105.19 103.70 1x4w n GLY 61 Ca -0.10 0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 1x4w n GLY 61 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4w s SER 62 N -2.75 4.15 0.33 1.61 1.04 -1.26 -5.11 113.70 111.72 1x4w s SER 62 Ca 0.00 0.23 0.09 0.00 0.48 0.00 0.00 55.95 56.75 1x4w s SER 62 Cb 0.00 -0.61 -0.05 0.00 0.10 0.00 0.00 66.02 65.46 1x4w s SER 62 CO 0.00 -2.04 0.04 -0.83 0.98 0.00 0.00 173.24 171.39 1x4w s GLY 63 N -4.69 1.98 0.00 7.32 0.00 -1.26 -5.00 107.32 105.67 1x4w s GLY 63 Ca 0.66 -1.89 0.16 0.00 0.00 0.00 0.00 44.72 43.65 1x4w s GLY 63 CO 0.47 -1.84 1.34 -1.55 0.00 0.00 0.00 173.10 171.52 1x4w n PRO 64 N -0.99 0.49 -3.47 2.90 -0.04 -1.26 -4.57 135.00 128.06 1x4w n PRO 64 Ca -0.04 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.99 1x4w n PRO 64 Cb 0.62 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 1x4w n PRO 64 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x4w s SER 65 N -2.00 6.10 0.22 3.54 0.15 -1.26 -5.03 113.70 115.42 1x4w s SER 65 Ca 0.23 -0.78 -0.22 0.00 0.70 0.00 0.00 55.95 55.88 1x4w s SER 65 Cb 0.11 -2.16 0.04 0.00 -1.71 0.00 0.00 66.02 62.30 1x4w s SER 65 CO 0.18 -0.40 0.70 -0.44 1.20 0.00 0.00 173.24 174.48 1x4w s SER 66 N 1.69 -0.37 0.00 5.45 0.01 -1.26 -5.18 113.70 114.04 1x4w s SER 66 Ca 0.05 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.96 1x4w s SER 66 Cb -0.19 0.65 0.00 0.00 0.21 0.00 0.00 66.02 66.70 1x4w s SER 66 CO 0.10 -1.16 0.00 0.61 0.41 0.00 0.00 173.24 173.20