#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh5 s SER 2 N 0.00 4.67 -0.05 1.61 0.15 -1.26 -5.06 113.70 113.77 1wh5 s SER 2 Ca 0.00 -2.61 0.02 0.00 0.70 0.00 0.00 55.95 54.06 1wh5 s SER 2 Cb 0.00 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.65 1wh5 s SER 2 CO 0.00 -0.33 -0.07 -0.44 1.20 0.00 0.00 173.24 173.60 1wh5 s SER 3 N 0.44 1.15 0.00 5.45 0.01 -1.26 -5.09 113.70 114.40 1wh5 s SER 3 Ca 0.14 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1wh5 s SER 3 Cb -0.23 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.48 1wh5 s SER 3 CO -0.04 -0.02 0.00 0.61 0.41 0.00 0.00 173.24 174.21 1wh5 n GLY 4 N 3.89 0.11 3.59 3.44 0.00 -1.26 -5.12 105.19 109.85 1wh5 n GLY 4 Ca -0.24 -2.29 -0.07 0.00 0.00 0.00 0.00 46.02 43.41 1wh5 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh5 s SER 5 N -4.00 -0.25 0.08 1.61 0.15 -1.26 -5.06 113.70 104.97 1wh5 s SER 5 Ca 0.00 0.24 -0.34 0.00 0.70 0.00 0.00 55.95 56.55 1wh5 s SER 5 Cb 0.00 0.21 -0.17 0.00 -1.71 0.00 0.00 66.02 64.36 1wh5 s SER 5 CO 0.00 -0.26 1.59 0.28 1.20 0.00 0.00 173.24 176.05 1wh5 h SER 6 N 2.34 -1.14 0.00 5.45 0.02 -2.07 -3.47 113.55 114.68 1wh5 h SER 6 Ca -0.15 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wh5 h SER 6 Cb 1.17 0.36 0.00 0.00 0.14 0.00 0.00 62.40 64.07 1wh5 h SER 6 CO 0.28 -0.63 0.00 0.61 -1.14 0.00 0.00 176.83 175.95 1wh5 n GLY 7 N -1.54 2.20 2.71 -3.77 0.00 -1.26 -5.16 105.19 98.38 1wh5 n GLY 7 Ca -0.12 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1wh5 n GLY 7 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wh5 s SER 8 N 0.00 1.08 0.33 1.61 0.15 -1.26 -4.96 113.70 110.65 1wh5 s SER 8 Ca 0.00 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1wh5 s SER 8 Cb 0.00 -0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.28 1wh5 s SER 8 CO 0.00 -0.25 0.00 -0.24 1.20 0.00 0.00 173.24 173.95 1wh5 n SER 9 N 5.31 -2.94 0.19 5.45 2.88 -1.26 -5.06 113.62 118.18 1wh5 n SER 9 Ca -0.04 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1wh5 n SER 9 Cb 0.50 2.87 0.00 0.00 -0.75 0.00 0.00 64.21 66.83 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh5 n ALA 10 N -3.22 1.56 -1.52 -1.46 0.00 -1.26 -5.11 120.51 109.50 1wh5 n ALA 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 1wh5 n ALA 10 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1wh5 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1wh5 n GLU 11 N -3.46 0.89 -3.41 0.00 -0.58 -1.26 -4.92 120.64 107.90 1wh5 n GLU 11 Ca 0.00 0.32 -0.27 0.00 -0.42 0.00 0.00 57.16 56.78 1wh5 n GLU 11 Cb 0.00 -1.63 -0.08 0.00 -0.57 0.00 0.00 31.44 29.16 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1wh5 n ALA 12 N -0.25 4.11 -1.70 0.62 0.00 -1.26 -4.91 120.51 117.13 1wh5 n ALA 12 Ca 0.11 -4.78 0.00 0.00 0.00 0.00 0.00 53.44 48.77 1wh5 n ALA 12 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 1wh5 n ALA 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wh5 n GLY 13 N 0.86 -4.85 1.04 0.00 0.00 -1.26 -5.07 105.19 95.90 1wh5 n GLY 13 Ca 0.30 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.78 1wh5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh5 n GLY 14 N 0.04 -0.09 1.06 -0.02 0.00 -1.26 -5.17 105.19 99.74 1wh5 n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1wh5 n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wh5 n GLY 15 N 1.80 -2.70 3.18 -0.02 0.00 -1.26 -4.80 105.19 101.39 1wh5 n GLY 15 Ca 0.00 -1.92 -0.40 0.00 0.00 0.00 0.00 46.02 43.70 1wh5 n GLY 15 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh5 s ILE 16 N -0.45 4.20 0.28 -0.61 1.09 -1.26 -5.01 121.20 119.44 1wh5 s ILE 16 Ca 0.00 -2.36 0.00 0.00 -1.10 0.00 0.00 60.65 57.19 1wh5 s ILE 16 Cb 0.00 -3.73 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 1wh5 s ILE 16 CO 0.00 -0.85 0.00 0.54 -0.10 0.00 0.00 174.94 174.53 1wh5 n ARG 17 N 4.19 -1.97 -1.86 2.79 3.00 -1.26 -4.32 116.66 117.23 1wh5 n ARG 17 Ca 0.02 1.41 -0.41 0.00 -0.01 0.00 0.00 57.85 58.86 1wh5 n ARG 17 Cb 0.41 -2.48 -0.03 0.00 0.00 0.00 0.00 32.46 30.36 1wh5 n ARG 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1wh5 s LYS 18 N -2.67 2.94 0.73 5.56 2.20 -1.26 -4.93 119.74 122.31 1wh5 s LYS 18 Ca 0.00 1.36 -0.16 0.00 -0.36 0.00 0.00 55.97 56.81 1wh5 s LYS 18 Cb 0.00 -4.33 0.02 0.00 -1.51 0.00 0.00 37.83 32.00 1wh5 s LYS 18 CO 0.00 -2.32 1.02 0.54 -0.36 0.00 0.00 175.35 174.23 1wh5 n ARG 19 N 8.75 0.51 -2.96 4.03 1.74 -1.26 -4.98 116.66 122.49 1wh5 n ARG 19 Ca 0.26 0.23 -0.14 0.00 -0.77 0.00 0.00 57.85 57.44 1wh5 n ARG 19 Cb 0.49 -2.27 0.03 0.00 -1.02 0.00 0.00 32.46 29.68 1wh5 n ARG 19 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1wh5 n HIS 20 N -2.57 -1.05 -2.72 -1.55 -0.00 -1.26 -4.99 115.22 101.07 1wh5 n HIS 20 Ca 0.13 -3.04 -0.05 0.00 0.46 0.00 0.00 57.72 55.23 1wh5 n HIS 20 Cb 0.49 0.46 0.03 0.00 -0.12 0.00 0.00 29.99 30.86 1wh5 n HIS 20 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 1wh5 n ARG 21 N 0.26 0.42 -4.70 1.57 0.63 -1.26 -5.15 116.66 108.42 1wh5 n ARG 21 Ca 0.16 -1.47 -0.30 0.00 -0.92 0.00 0.00 57.85 55.32 1wh5 n ARG 21 Cb 0.69 -0.88 -0.14 0.00 0.45 0.00 0.00 32.46 32.59 1wh5 n ARG 21 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1wh5 s THR 22 N 0.76 2.39 -0.46 5.15 -4.23 -1.26 -5.08 115.64 112.91 1wh5 s THR 22 Ca 0.28 -1.41 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 1wh5 s THR 22 Cb 0.11 -1.99 0.20 0.00 1.34 0.00 0.00 72.50 72.16 1wh5 s THR 22 CO -0.11 0.29 0.45 1.17 -0.54 0.00 0.00 174.62 175.88 1wh5 n LYS 23 N 1.48 0.77 -2.25 3.99 3.00 -1.26 -5.09 118.16 118.79 1wh5 n LYS 23 Ca -0.17 -3.49 -0.43 0.00 -0.00 0.00 0.00 58.31 54.22 1wh5 n LYS 23 Cb 0.52 -1.66 -0.02 0.00 0.00 0.00 0.00 35.03 33.87 1wh5 n LYS 23 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 1wh5 s PHE 24 N -0.75 2.40 0.66 5.64 0.08 -1.26 -5.00 117.98 119.74 1wh5 s PHE 24 Ca 0.33 0.69 -0.02 0.00 0.12 0.00 0.00 56.93 58.06 1wh5 s PHE 24 Cb 0.08 -3.88 0.08 0.00 -0.57 0.00 0.00 43.02 38.73 1wh5 s PHE 24 CO -0.15 -2.42 0.92 -0.08 -0.10 0.00 0.00 175.22 173.38 1wh5 s THR 25 N 4.56 2.37 0.24 0.64 -1.32 -1.26 -4.50 115.64 116.38 1wh5 s THR 25 Ca 0.64 -0.54 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1wh5 s THR 25 Cb -0.22 -2.83 0.34 0.00 -1.51 0.00 0.00 72.50 68.28 1wh5 s THR 25 CO 0.25 0.00 1.25 0.00 -2.21 0.00 0.00 174.62 173.91 1wh5 n ALA 26 N -2.68 0.37 -0.19 11.08 0.00 -1.26 0.21 120.51 128.03 1wh5 n ALA 26 Ca 0.11 0.86 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1wh5 n ALA 26 Cb 0.60 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.44 1wh5 n ALA 26 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh5 n GLU 27 N -5.16 0.00 -0.24 0.00 2.13 -1.26 0.15 120.64 116.26 1wh5 n GLU 27 Ca 0.18 0.47 0.04 0.00 0.66 0.00 0.00 57.16 58.51 1wh5 n GLU 27 Cb 0.58 -1.40 0.16 0.00 0.27 0.00 0.00 31.44 31.05 1wh5 n GLU 27 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1wh5 h GLN 28 N 0.00 0.27 0.50 5.31 1.08 -1.24 1.68 115.11 122.71 1wh5 h GLN 28 Ca 0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 1wh5 h GLN 28 Cb 0.00 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1wh5 h GLN 28 CO 0.00 0.18 -0.36 -0.22 -0.95 0.00 0.00 178.83 177.48 1wh5 h LYS 29 N 0.28 -0.79 -0.69 1.46 3.64 0.25 0.73 116.57 121.44 1wh5 h LYS 29 Ca 0.39 0.05 0.08 0.00 -1.27 0.00 0.00 60.65 59.90 1wh5 h LYS 29 Cb 0.64 0.18 -0.06 0.00 -0.41 0.00 0.00 32.23 32.58 1wh5 h LYS 29 CO -0.48 -0.53 0.36 0.93 -2.27 0.00 0.00 179.45 177.47 1wh5 h GLU 30 N -0.82 0.63 -0.24 1.90 5.08 0.21 0.17 114.58 121.51 1wh5 h GLU 30 Ca -0.07 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1wh5 h GLU 30 Cb 0.68 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 1wh5 h GLU 30 CO 0.03 0.42 -0.30 0.00 -1.00 0.00 0.00 179.01 178.16 1wh5 h ARG 31 N 0.65 -0.30 -0.52 2.33 2.47 0.27 1.49 114.38 120.77 1wh5 h ARG 31 Ca 0.33 0.02 -0.07 0.00 -1.26 0.00 0.00 59.98 58.99 1wh5 h ARG 31 Cb 0.28 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1wh5 h ARG 31 CO -0.23 -0.20 0.03 0.52 0.56 0.00 0.00 179.97 180.65 1wh5 h MET 32 N -0.31 0.85 -0.29 0.04 2.86 -0.22 -0.09 114.93 117.77 1wh5 h MET 32 Ca 0.13 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.51 1wh5 h MET 32 Cb 0.52 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1wh5 h MET 32 CO -0.41 0.84 0.06 -0.07 1.06 0.00 0.00 176.91 178.38 1wh5 h LEU 33 N 0.80 0.45 -1.66 1.22 3.38 0.74 1.60 115.31 121.83 1wh5 h LEU 33 Ca 0.16 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1wh5 h LEU 33 Cb 0.44 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1wh5 h LEU 33 CO 0.02 0.58 -0.19 0.00 0.09 0.00 0.00 178.44 178.93 1wh5 h ALA 34 N 0.89 1.35 0.00 1.53 0.00 0.23 -0.40 119.26 122.86 1wh5 h ALA 34 Ca 0.09 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1wh5 h ALA 34 Cb 0.31 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1wh5 h ALA 34 CO 0.00 0.24 -0.24 1.25 0.00 0.00 0.00 179.25 180.51 1wh5 h LEU 35 N 0.00 0.00 -1.72 0.00 5.85 -0.30 -3.21 115.31 115.92 1wh5 h LEU 35 Ca -0.00 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1wh5 h LEU 35 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1wh5 h LEU 35 CO 0.03 0.96 0.08 0.00 -0.34 0.00 0.00 178.44 179.17 1wh5 h ALA 36 N -0.35 1.06 -0.00 1.25 0.00 0.24 1.13 119.26 122.59 1wh5 h ALA 36 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wh5 h ALA 36 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wh5 h ALA 36 CO -0.03 -0.06 -0.35 0.39 0.00 0.00 0.00 179.25 179.20 1wh5 n GLU 37 N -2.45 0.33 -0.00 0.00 1.02 -0.17 0.32 120.64 119.68 1wh5 n GLU 37 Ca -0.02 -0.18 0.07 0.00 -0.02 0.00 0.00 57.16 57.01 1wh5 n GLU 37 Cb 0.12 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.95 1wh5 n GLU 37 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wh5 n ARG 38 N -1.18 0.92 -0.07 3.49 1.85 0.38 -4.56 116.66 117.49 1wh5 n ARG 38 Ca 0.09 -0.09 -0.08 0.00 -1.00 0.00 0.00 57.85 56.76 1wh5 n ARG 38 Cb 0.33 -1.27 -0.10 0.00 -1.05 0.00 0.00 32.46 30.38 1wh5 n ARG 38 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1wh5 n ILE 39 N -1.81 0.91 0.00 8.89 -5.35 -0.41 -5.02 119.36 116.56 1wh5 n ILE 39 Ca -0.01 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1wh5 n ILE 39 Cb 0.31 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.44 1wh5 n ILE 39 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1wh5 n GLY 40 N 2.33 1.94 3.34 3.28 0.00 0.35 -4.37 105.19 112.07 1wh5 n GLY 40 Ca -0.23 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 1wh5 n GLY 40 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1wh5 n TRP 41 N -0.87 -2.49 -3.93 1.61 7.02 0.15 -4.98 117.44 113.94 1wh5 n TRP 41 Ca 0.00 0.82 -0.10 0.00 -1.02 0.00 0.00 57.50 57.20 1wh5 n TRP 41 Cb 0.00 -4.75 -0.10 0.00 -2.42 0.00 0.00 31.31 24.03 1wh5 n TRP 41 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1wh5 s ARG 42 N -6.06 0.39 0.24 -0.99 3.52 -1.26 -4.93 118.95 109.85 1wh5 s ARG 42 Ca 0.47 -0.52 0.10 0.00 -0.13 0.00 0.00 55.73 55.65 1wh5 s ARG 42 Cb -0.21 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.29 1wh5 s ARG 42 CO 0.58 -0.08 -0.12 0.42 -0.81 0.00 0.00 175.30 175.30 1wh5 s ILE 43 N -1.44 2.95 0.10 4.11 1.09 -1.26 -4.84 121.20 121.91 1wh5 s ILE 43 Ca -0.15 -2.00 -0.12 0.00 -1.10 0.00 0.00 60.65 57.28 1wh5 s ILE 43 Cb -0.09 -2.52 0.04 0.00 -1.06 0.00 0.00 42.46 38.83 1wh5 s ILE 43 CO 0.00 -0.27 0.56 0.00 -0.10 0.00 0.00 174.94 175.13 1wh5 n GLN 44 N -0.40 0.34 0.16 2.79 6.02 -1.26 -5.00 117.38 120.03 1wh5 n GLN 44 Ca -0.08 -0.79 0.13 0.00 -0.01 0.00 0.00 57.00 56.25 1wh5 n GLN 44 Cb 0.58 1.07 0.33 0.00 1.02 0.00 0.00 30.24 33.24 1wh5 n GLN 44 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 1wh5 h ARG 45 N 0.00 0.00 0.17 -1.09 1.12 -2.00 -1.24 114.38 111.34 1wh5 h ARG 45 Ca -0.15 0.00 -0.28 0.00 -1.11 0.00 0.00 59.98 58.45 1wh5 h ARG 45 Cb 0.65 0.00 0.02 0.00 -0.01 0.00 0.00 29.97 30.63 1wh5 h ARG 45 CO 0.20 0.00 -1.30 1.96 -3.11 0.00 0.00 179.97 177.71 1wh5 h GLN 46 N 0.00 0.37 0.00 0.20 1.08 -2.02 -3.29 115.11 111.45 1wh5 h GLN 46 Ca 0.00 -0.63 0.00 0.00 -1.45 0.00 0.00 58.65 56.57 1wh5 h GLN 46 Cb 0.81 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 1wh5 h GLN 46 CO 0.00 1.30 -0.16 -0.25 -0.95 0.00 0.00 178.83 178.77 1wh5 n ASP 47 N -3.88 0.77 -0.33 1.46 9.92 -1.22 -3.81 116.55 119.46 1wh5 n ASP 47 Ca -0.19 0.45 0.19 0.00 -0.53 0.00 0.00 54.79 54.71 1wh5 n ASP 47 Cb 0.96 -0.55 0.36 0.00 -0.64 0.00 0.00 41.12 41.26 1wh5 n ASP 47 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1wh5 h ASP 48 N 0.00 -0.20 -0.49 -2.24 3.58 -1.29 1.84 116.42 117.63 1wh5 h ASP 48 Ca 0.00 0.26 0.04 0.00 0.42 0.00 0.00 57.03 57.75 1wh5 h ASP 48 Cb 0.73 0.39 -0.04 0.00 1.72 0.00 0.00 39.33 42.14 1wh5 h ASP 48 CO 0.00 -0.34 0.26 -0.33 -2.88 0.00 0.00 179.24 175.95 1wh5 h GLU 49 N 0.05 0.49 -0.17 0.28 4.39 -1.78 1.17 114.58 119.00 1wh5 h GLU 49 Ca 0.65 -0.03 -0.19 0.00 0.34 0.00 0.00 59.36 60.13 1wh5 h GLU 49 Cb 1.46 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 1wh5 h GLU 49 CO -0.84 0.33 -0.68 0.28 -1.16 0.00 0.00 179.01 176.94 1wh5 h VAL 50 N 0.51 1.31 0.41 3.13 2.07 0.17 -0.73 116.25 123.11 1wh5 h VAL 50 Ca 0.21 -1.93 -0.02 0.00 0.82 0.00 0.00 66.70 65.78 1wh5 h VAL 50 Cb 0.10 1.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1wh5 h VAL 50 CO -0.13 0.61 -0.20 0.40 0.02 0.00 0.00 177.57 178.26 1wh5 h ILE 51 N 0.48 0.00 -0.30 4.57 1.08 0.28 1.44 117.51 125.06 1wh5 h ILE 51 Ca -0.02 -0.10 0.09 0.00 -0.39 0.00 0.00 64.86 64.44 1wh5 h ILE 51 Cb 1.27 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 35.01 1wh5 h ILE 51 CO 0.13 0.00 0.31 1.56 -0.69 0.00 0.00 178.15 179.47 1wh5 h GLN 52 N -0.65 0.00 0.10 2.37 4.20 0.13 -0.41 115.11 120.85 1wh5 h GLN 52 Ca -0.06 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1wh5 h GLN 52 Cb 0.42 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.22 1wh5 h GLN 52 CO 0.09 0.00 -0.59 -0.09 -0.67 0.00 0.00 178.83 177.57 1wh5 h ARG 53 N 0.00 0.22 -0.76 1.46 9.65 -0.88 -3.28 114.38 120.79 1wh5 h ARG 53 Ca 0.14 -0.37 0.19 0.00 -1.10 0.00 0.00 59.98 58.84 1wh5 h ARG 53 Cb 0.77 0.14 -0.04 0.00 -1.39 0.00 0.00 29.97 29.45 1wh5 h ARG 53 CO -0.00 1.18 0.53 0.35 2.80 0.00 0.00 179.97 184.82 1wh5 h PHE 54 N -0.54 0.24 0.00 2.20 3.04 0.37 1.52 116.94 123.76 1wh5 h PHE 54 Ca -0.10 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1wh5 h PHE 54 Cb 1.46 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.90 1wh5 h PHE 54 CO 0.22 0.07 0.00 0.00 -2.02 0.00 0.00 178.31 176.59 1wh5 h GLN 56 N 0.00 0.00 0.00 0.00 1.08 0.21 0.08 115.11 116.47 1wh5 h GLN 56 Ca 0.00 0.00 -0.17 0.00 -1.45 0.00 0.00 58.65 57.03 1wh5 h GLN 56 Cb 0.37 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.77 1wh5 h GLN 56 CO 0.00 0.17 -1.97 -0.85 -0.95 0.00 0.00 178.83 175.23 1wh5 n GLU 57 N -2.92 0.66 -0.00 1.46 0.28 -0.46 -4.76 120.64 114.90 1wh5 n GLU 57 Ca -0.01 -0.02 -0.01 0.00 -0.16 0.00 0.00 57.16 56.95 1wh5 n GLU 57 Cb 0.66 -1.60 -0.00 0.00 1.43 0.00 0.00 31.44 31.92 1wh5 n GLU 57 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1wh5 n THR 58 N -2.60 0.50 0.00 3.84 -2.24 0.12 -5.06 114.28 108.84 1wh5 n THR 58 Ca -0.16 0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1wh5 n THR 58 Cb 0.85 -1.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 1wh5 n THR 58 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1wh5 n GLY 59 N 2.73 1.01 3.77 3.38 0.00 0.01 -5.01 105.19 111.09 1wh5 n GLY 59 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 1wh5 n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wh5 s VAL 60 N -1.88 3.52 0.19 1.61 1.01 -1.26 -4.99 120.40 118.60 1wh5 s VAL 60 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.00 1wh5 s VAL 60 Cb 0.00 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 1wh5 s VAL 60 CO 0.00 0.16 1.11 -2.16 0.00 0.00 0.00 175.10 174.21 1wh5 s PRO 61 N -2.06 4.59 0.25 2.72 0.04 -1.26 -4.49 135.00 134.78 1wh5 s PRO 61 Ca 0.53 1.75 -0.05 0.00 0.04 0.00 0.00 61.00 63.27 1wh5 s PRO 61 Cb -0.27 -3.26 0.47 0.00 0.04 0.00 0.00 34.50 31.47 1wh5 s PRO 61 CO 0.35 0.07 1.67 -0.09 0.04 0.00 0.00 177.00 179.04 1wh5 h ARG 62 N 4.94 0.21 -0.41 4.56 2.43 -1.94 1.07 114.38 125.24 1wh5 h ARG 62 Ca -0.45 -0.01 0.12 0.00 -0.81 0.00 0.00 59.98 58.83 1wh5 h ARG 62 Cb 1.21 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.70 1wh5 h ARG 62 CO 0.72 0.14 0.33 0.37 -1.51 0.00 0.00 179.97 180.01 1wh5 h GLN 63 N 0.21 0.00 0.11 0.20 4.15 -2.00 -0.46 115.11 117.32 1wh5 h GLN 63 Ca 0.42 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.64 1wh5 h GLN 63 Cb 0.74 0.00 0.01 0.00 0.21 0.00 0.00 27.48 28.43 1wh5 h GLN 63 CO -0.56 0.00 -0.97 0.28 -1.93 0.00 0.00 178.83 175.65 1wh5 h VAL 64 N 0.00 1.34 0.00 2.39 2.07 0.66 -3.05 116.25 119.66 1wh5 h VAL 64 Ca 0.19 -2.45 0.00 0.00 0.82 0.00 0.00 66.70 65.26 1wh5 h VAL 64 Cb 0.85 3.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.61 1wh5 h VAL 64 CO -0.00 0.68 0.21 0.25 0.02 0.00 0.00 177.57 178.73 1wh5 h LEU 65 N -0.45 0.00 0.00 2.57 7.12 0.86 1.19 115.31 126.61 1wh5 h LEU 65 Ca -0.20 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.81 1wh5 h LEU 65 Cb 1.60 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.73 1wh5 h LEU 65 CO 0.08 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.56 1wh5 n LYS 66 N -2.78 0.00 -0.20 1.25 4.81 -0.43 -3.64 118.16 117.17 1wh5 n LYS 66 Ca -0.02 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 1wh5 n LYS 66 Cb 0.26 -0.83 0.11 0.00 0.02 0.00 0.00 35.03 34.59 1wh5 n LYS 66 CO 0.00 0.00 0.00 -0.39 1.17 0.00 0.00 177.40 178.18 1wh5 h VAL 67 N 0.00 0.74 -0.78 3.15 -1.51 -1.37 -1.88 116.25 114.59 1wh5 h VAL 67 Ca 0.00 -0.13 0.07 0.00 -1.23 0.00 0.00 66.70 65.41 1wh5 h VAL 67 Cb 0.00 0.33 -0.09 0.00 -2.13 0.00 0.00 31.29 29.39 1wh5 h VAL 67 CO 0.00 0.07 -0.46 1.87 -1.23 0.00 0.00 177.57 177.82 1wh5 n TRP 68 N -5.02 -0.34 -0.25 5.19 -0.00 0.41 0.23 117.44 117.65 1wh5 n TRP 68 Ca 0.09 0.98 0.02 0.00 -0.00 0.00 0.00 57.50 58.59 1wh5 n TRP 68 Cb 0.29 -0.56 0.11 0.00 -0.00 0.00 0.00 31.31 31.15 1wh5 n TRP 68 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 1wh5 h LEU 69 N 0.00 -0.57 -1.49 5.87 3.38 -1.41 1.78 115.31 122.88 1wh5 h LEU 69 Ca 0.12 0.21 -0.05 0.00 0.09 0.00 0.00 57.88 58.25 1wh5 h LEU 69 Cb 0.32 0.42 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1wh5 h LEU 69 CO -0.73 -0.22 -0.25 -0.74 0.09 0.00 0.00 178.44 176.58 1wh5 h HIS 70 N 0.03 0.00 0.00 1.13 2.76 0.22 1.27 115.15 120.56 1wh5 h HIS 70 Ca 0.37 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1wh5 h HIS 70 Cb 0.60 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.56 1wh5 h HIS 70 CO -0.53 0.25 -0.02 -0.91 -1.30 0.00 0.00 177.93 175.43 1wh5 h ASN 71 N 0.00 0.00 0.00 3.26 2.35 1.41 -3.39 115.58 119.22 1wh5 h ASN 71 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1wh5 h ASN 71 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1wh5 h ASN 71 CO 0.03 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.41 1wh5 n ASN 72 N -2.33 0.00 -4.69 5.81 3.02 0.42 -4.95 115.26 112.55 1wh5 n ASN 72 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 1wh5 n ASN 72 Cb 0.44 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 1wh5 n ASN 72 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1wh5 n LYS 73 N -2.24 2.63 -3.01 3.52 2.85 0.42 -4.96 118.16 117.37 1wh5 n LYS 73 Ca 0.00 0.96 -0.30 0.00 -1.05 0.00 0.00 58.31 57.92 1wh5 n LYS 73 Cb 0.00 -2.82 -0.03 0.00 -0.65 0.00 0.00 35.03 31.53 1wh5 n LYS 73 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1wh5 s HIS 74 N 2.25 3.47 0.00 5.58 2.46 -1.26 -4.59 115.29 123.19 1wh5 s HIS 74 Ca 0.81 0.93 0.00 0.00 0.47 0.00 0.00 55.06 57.27 1wh5 s HIS 74 Cb -0.54 -2.35 0.00 0.00 -0.13 0.00 0.00 32.58 29.57 1wh5 s HIS 74 CO 0.38 -0.02 0.00 0.43 -2.47 0.00 0.00 174.74 173.06 1wh5 n SER 75 N -1.15 0.00 -3.48 9.88 7.64 -1.26 -5.16 113.62 120.09 1wh5 n SER 75 Ca 0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.77 1wh5 n SER 75 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.71 1wh5 n SER 75 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh5 s GLY 76 N 0.00 -0.54 -0.88 0.23 0.00 -1.26 -5.04 107.32 99.83 1wh5 s GLY 76 Ca 0.00 0.95 -0.07 0.00 0.00 0.00 0.00 44.72 45.60 1wh5 s GLY 76 CO 0.00 0.45 2.58 -1.55 0.00 0.00 0.00 173.10 174.59 1wh5 n PRO 77 N 0.03 2.43 -1.48 2.90 -0.04 -1.26 -4.89 135.00 132.69 1wh5 n PRO 77 Ca -0.14 -1.49 -0.46 0.00 -0.04 0.00 0.00 63.50 61.37 1wh5 n PRO 77 Cb 0.62 -2.40 -0.08 0.00 -0.04 0.00 0.00 33.50 31.60 1wh5 n PRO 77 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1wh5 n SER 78 N 3.57 1.84 -0.26 3.54 7.64 -1.26 -4.81 113.62 123.88 1wh5 n SER 78 Ca 0.52 0.16 -0.07 0.00 1.01 0.00 0.00 58.87 60.49 1wh5 n SER 78 Cb 0.32 -1.27 -0.06 0.00 -1.01 0.00 0.00 64.21 62.18 1wh5 n SER 78 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wh5 n SER 79 N 11.33 -0.66 0.00 6.43 7.64 -1.26 -5.30 113.62 131.80 1wh5 n SER 79 Ca 0.45 1.46 0.13 0.00 1.01 0.00 0.00 58.87 61.92 1wh5 n SER 79 Cb 0.26 -0.32 0.78 0.00 -1.01 0.00 0.00 64.21 63.92 1wh5 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64