#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh5 n SER 2 N 0.00 -1.31 -1.20 1.61 2.88 -1.26 -5.17 113.62 109.18 1wh5 n SER 2 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1wh5 n SER 2 Cb 0.00 1.38 0.00 0.00 -0.75 0.00 0.00 64.21 64.84 1wh5 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1wh5 n SER 3 N -3.35 -6.49 0.00 -3.46 2.88 -1.26 -5.06 113.62 96.87 1wh5 n SER 3 Ca 0.00 1.35 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 1wh5 n SER 3 Cb 0.00 -3.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.87 1wh5 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh5 n GLY 4 N -2.10 -1.36 3.27 0.46 0.00 -1.26 -5.18 105.19 99.02 1wh5 n GLY 4 Ca 0.00 0.86 -0.14 0.00 0.00 0.00 0.00 46.02 46.75 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 0.00 -0.28 0.36 1.61 0.15 -1.26 -5.06 113.70 109.22 1wh5 s SER 5 Ca 0.00 0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1wh5 s SER 5 Cb 0.00 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1wh5 s SER 5 CO 0.00 -0.40 0.00 -0.24 1.20 0.00 0.00 173.24 173.80 1wh5 n SER 6 N 1.58 -2.30 0.00 5.45 2.88 -1.26 -5.12 113.62 114.85 1wh5 n SER 6 Ca -0.20 0.66 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 1wh5 n SER 6 Cb 0.56 2.25 0.00 0.00 -0.75 0.00 0.00 64.21 66.28 1wh5 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh5 n GLY 7 N -0.24 0.56 2.91 0.46 0.00 -1.26 -5.15 105.19 102.47 1wh5 n GLY 7 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 1wh5 n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wh5 s SER 8 N 0.00 0.36 -0.47 1.61 1.04 -1.26 -5.06 113.70 109.92 1wh5 s SER 8 Ca 0.00 -0.70 0.06 0.00 0.48 0.00 0.00 55.95 55.79 1wh5 s SER 8 Cb 0.00 1.07 0.18 0.00 0.10 0.00 0.00 66.02 67.37 1wh5 s SER 8 CO 0.00 -0.31 0.59 -0.55 0.98 0.00 0.00 173.24 173.94 1wh5 s SER 9 N 2.22 -0.44 -0.26 7.02 0.15 -1.26 -5.03 113.70 116.10 1wh5 s SER 9 Ca 0.12 -2.12 -0.05 0.00 0.70 0.00 0.00 55.95 54.60 1wh5 s SER 9 Cb -0.12 1.11 0.02 0.00 -1.71 0.00 0.00 66.02 65.31 1wh5 s SER 9 CO -0.22 -0.10 0.10 0.00 1.20 0.00 0.00 173.24 174.22 1wh5 n ALA 10 N 3.02 -3.59 -3.52 5.45 0.00 -1.26 -5.07 120.51 115.54 1wh5 n ALA 10 Ca 0.21 1.28 -0.09 0.00 0.00 0.00 0.00 53.44 54.85 1wh5 n ALA 10 Cb 0.53 -2.52 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 1wh5 n ALA 10 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wh5 s GLU 11 N -1.26 0.77 -0.90 0.00 -1.05 -1.26 -5.02 118.70 109.98 1wh5 s GLU 11 Ca -0.12 -0.22 -0.03 0.00 -0.15 0.00 0.00 54.97 54.45 1wh5 s GLU 11 Cb 0.01 0.36 -0.03 0.00 -0.44 0.00 0.00 34.13 34.02 1wh5 s GLU 11 CO 0.79 -0.32 0.81 0.00 0.95 0.00 0.00 175.26 177.49 1wh5 n ALA 12 N -0.08 -2.50 0.00 -0.84 0.00 -1.26 -4.84 120.51 110.99 1wh5 n ALA 12 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1wh5 n ALA 12 Cb 0.61 -3.66 0.00 0.00 0.00 0.00 0.00 19.45 16.40 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 -1.50 1.26 3.15 0.00 0.00 -1.26 -4.43 105.19 102.40 1wh5 n GLY 13 Ca -0.04 -0.65 0.05 0.00 0.00 0.00 0.00 46.02 45.38 1wh5 n GLY 13 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wh5 s GLY 14 N 0.00 -0.79 0.00 -0.02 0.00 -1.26 -4.64 107.32 100.61 1wh5 s GLY 14 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 44.72 46.83 1wh5 s GLY 14 CO 0.00 3.70 0.00 0.61 0.00 0.00 0.00 173.10 177.41 1wh5 n GLY 15 N 5.40 -0.61 3.45 0.20 0.00 -1.26 -5.10 105.19 107.26 1wh5 n GLY 15 Ca -0.01 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 1wh5 n GLY 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wh5 s ILE 16 N -3.32 4.96 0.49 -0.61 2.07 -1.26 -4.92 121.20 118.60 1wh5 s ILE 16 Ca 0.00 -0.57 0.00 0.00 -1.41 0.00 0.00 60.65 58.67 1wh5 s ILE 16 Cb 0.00 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.92 1wh5 s ILE 16 CO 0.00 -0.15 0.00 -1.14 -1.91 0.00 0.00 174.94 171.74 1wh5 n ARG 17 N 5.07 -3.91 -1.60 3.50 0.63 -1.26 -4.89 116.66 114.20 1wh5 n ARG 17 Ca -0.12 2.96 -0.33 0.00 -0.92 0.00 0.00 57.85 59.43 1wh5 n ARG 17 Cb 0.48 -3.45 0.07 0.00 0.45 0.00 0.00 32.46 30.00 1wh5 n ARG 17 CO 0.00 0.00 0.00 -1.59 -2.51 0.00 0.00 177.63 173.53 1wh5 s LYS 18 N -4.44 2.52 -0.38 -0.14 0.00 -1.26 -4.98 119.74 111.06 1wh5 s LYS 18 Ca 0.00 1.49 0.09 0.00 0.00 0.00 0.00 55.97 57.55 1wh5 s LYS 18 Cb 0.00 -1.91 0.36 0.00 0.00 0.00 0.00 37.83 36.28 1wh5 s LYS 18 CO 0.00 -1.49 1.35 -2.13 0.00 0.00 0.00 175.35 173.08 1wh5 n ARG 19 N -2.63 1.12 -1.24 1.78 3.00 -1.26 -5.14 116.66 112.29 1wh5 n ARG 19 Ca 0.11 -1.59 0.15 0.00 -0.00 0.00 0.00 57.85 56.53 1wh5 n ARG 19 Cb 0.52 0.05 -0.05 0.00 0.00 0.00 0.00 32.46 32.97 1wh5 n ARG 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1wh5 n HIS 20 N -0.75 -2.97 -1.22 -0.14 -0.00 -1.26 -5.00 115.22 103.88 1wh5 n HIS 20 Ca -0.08 1.54 0.00 0.00 0.46 0.00 0.00 57.72 59.65 1wh5 n HIS 20 Cb 0.83 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 28.01 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 -3.77 0.00 -4.32 1.57 3.00 -1.26 -5.10 116.66 106.78 1wh5 n ARG 21 Ca -0.02 0.41 -0.24 0.00 -0.00 0.00 0.00 57.85 57.99 1wh5 n ARG 21 Cb 0.64 -1.22 -0.08 0.00 0.00 0.00 0.00 32.46 31.80 1wh5 n ARG 21 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1wh5 s THR 22 N -2.04 3.21 -0.41 5.15 -4.23 -1.26 -4.70 115.64 111.36 1wh5 s THR 22 Ca 0.00 -1.90 0.09 0.00 -1.18 0.00 0.00 61.69 58.70 1wh5 s THR 22 Cb 0.00 -2.67 0.28 0.00 1.34 0.00 0.00 72.50 71.46 1wh5 s THR 22 CO 0.00 -0.28 0.69 0.29 -0.54 0.00 0.00 174.62 174.77 1wh5 n LYS 23 N -0.52 0.82 -2.25 3.99 4.76 -1.26 -5.07 118.16 118.63 1wh5 n LYS 23 Ca -0.08 -2.91 -0.43 0.00 -2.87 0.00 0.00 58.31 52.02 1wh5 n LYS 23 Cb 0.58 -1.37 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 1wh5 n LYS 23 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1wh5 s PHE 24 N -1.09 2.40 0.66 2.13 0.08 -1.26 -4.82 117.98 116.08 1wh5 s PHE 24 Ca 0.35 0.69 -0.04 0.00 0.12 0.00 0.00 56.93 58.04 1wh5 s PHE 24 Cb 0.24 -3.87 0.06 0.00 -0.57 0.00 0.00 43.02 38.88 1wh5 s PHE 24 CO -0.12 -2.45 0.94 -0.08 -0.10 0.00 0.00 175.22 173.42 1wh5 s THR 25 N 4.52 2.39 0.36 0.64 -1.32 -1.26 -4.54 115.64 116.42 1wh5 s THR 25 Ca 0.64 -0.40 0.22 0.00 -1.21 0.00 0.00 61.69 60.94 1wh5 s THR 25 Cb -0.23 -2.99 0.36 0.00 -1.51 0.00 0.00 72.50 68.13 1wh5 s THR 25 CO 0.25 0.00 1.49 0.00 -2.21 0.00 0.00 174.62 174.15 1wh5 n ALA 26 N -2.75 1.03 -0.04 11.08 0.00 -1.26 0.13 120.51 128.70 1wh5 n ALA 26 Ca 0.08 0.94 0.00 0.00 0.00 0.00 0.00 53.44 54.46 1wh5 n ALA 26 Cb 0.60 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.08 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 -5.05 0.00 -0.24 0.00 2.13 -1.26 -0.07 120.64 116.15 1wh5 n GLU 27 Ca 0.36 0.48 0.05 0.00 0.66 0.00 0.00 57.16 58.71 1wh5 n GLU 27 Cb 1.27 -1.39 0.17 0.00 0.27 0.00 0.00 31.44 31.76 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 0.28 0.47 5.31 1.08 -1.26 1.56 115.11 122.55 1wh5 h GLN 28 Ca 0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1wh5 h GLN 28 Cb 0.00 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.35 1wh5 h GLN 28 CO 0.00 0.19 -0.43 -0.22 -0.95 0.00 0.00 178.83 177.42 1wh5 h LYS 29 N 0.29 -0.85 -0.43 1.46 3.64 0.10 0.19 116.57 120.97 1wh5 h LYS 29 Ca 0.40 0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.88 1wh5 h LYS 29 Cb 0.66 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.64 1wh5 h LYS 29 CO -0.48 -0.56 0.21 0.93 -2.27 0.00 0.00 179.45 177.27 1wh5 h GLU 30 N -0.88 0.41 -0.42 1.90 5.08 0.40 0.25 114.58 121.33 1wh5 h GLU 30 Ca -0.06 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 1wh5 h GLU 30 Cb 0.75 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.82 1wh5 h GLU 30 CO -0.03 0.27 -0.25 0.00 -1.00 0.00 0.00 179.01 178.00 1wh5 h ARG 31 N 0.42 -0.17 -0.27 2.33 2.47 0.25 1.25 114.38 120.65 1wh5 h ARG 31 Ca 0.19 0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.88 1wh5 h ARG 31 Cb 0.10 0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1wh5 h ARG 31 CO -0.14 -0.11 0.01 0.52 0.56 0.00 0.00 179.97 180.81 1wh5 h MET 32 N -0.17 0.48 -0.36 0.04 2.86 -0.16 -0.69 114.93 116.93 1wh5 h MET 32 Ca 0.20 -0.15 0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1wh5 h MET 32 Cb 0.48 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1wh5 h MET 32 CO -0.52 0.63 0.12 -0.07 1.06 0.00 0.00 176.91 178.13 1wh5 h LEU 33 N 0.27 0.12 -1.71 1.22 3.38 0.53 1.48 115.31 120.60 1wh5 h LEU 33 Ca 0.08 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 1wh5 h LEU 33 Cb 0.41 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 1wh5 h LEU 33 CO 0.01 0.10 -0.16 0.00 0.09 0.00 0.00 178.44 178.49 1wh5 h ALA 34 N 1.23 1.70 0.07 1.53 0.00 0.16 -0.50 119.26 123.46 1wh5 h ALA 34 Ca 0.16 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wh5 h ALA 34 Cb 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wh5 h ALA 34 CO -0.17 0.20 -0.03 1.25 0.00 0.00 0.00 179.25 180.49 1wh5 h LEU 35 N 0.00 -0.08 -1.82 0.00 5.85 0.71 -2.86 115.31 117.11 1wh5 h LEU 35 Ca -0.00 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1wh5 h LEU 35 Cb 0.29 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.34 1wh5 h LEU 35 CO 0.02 0.60 0.16 0.00 -0.34 0.00 0.00 178.44 178.88 1wh5 h ALA 36 N -0.34 1.14 -0.00 1.25 0.00 0.22 1.55 119.26 123.08 1wh5 h ALA 36 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wh5 h ALA 36 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1wh5 h ALA 36 CO 0.02 -0.14 -0.49 0.39 0.00 0.00 0.00 179.25 179.03 1wh5 n GLU 37 N -2.57 0.35 -0.00 0.00 1.02 -0.22 0.32 120.64 119.54 1wh5 n GLU 37 Ca -0.02 -0.23 0.07 0.00 -0.02 0.00 0.00 57.16 56.96 1wh5 n GLU 37 Cb 0.21 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.03 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 -1.12 1.05 -0.05 3.49 -4.01 0.51 -4.57 116.66 111.96 1wh5 n ARG 38 Ca 0.08 -0.09 -0.05 0.00 -1.04 0.00 0.00 57.85 56.74 1wh5 n ARG 38 Cb 0.35 -1.27 -0.07 0.00 -3.04 0.00 0.00 32.46 28.43 1wh5 n ARG 38 CO 0.00 0.00 0.00 0.44 -3.04 0.00 0.00 177.63 175.03 1wh5 n ILE 39 N -1.78 0.63 0.00 8.89 -5.35 0.21 -5.02 119.36 116.93 1wh5 n ILE 39 Ca -0.01 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 1wh5 n ILE 39 Cb 0.31 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.41 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 2.58 1.72 3.40 3.28 0.00 0.17 -4.40 105.19 111.95 1wh5 n GLY 40 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.01 -2.61 -4.05 1.61 7.02 0.15 -4.99 117.44 113.55 1wh5 n TRP 41 Ca 0.00 0.90 -0.08 0.00 -1.02 0.00 0.00 57.50 57.31 1wh5 n TRP 41 Cb 0.00 -4.73 -0.10 0.00 -2.42 0.00 0.00 31.31 24.06 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 -6.17 0.53 -0.01 -0.99 3.52 -1.26 -4.92 118.95 109.65 1wh5 s ARG 42 Ca 0.52 -1.04 0.08 0.00 -0.13 0.00 0.00 55.73 55.16 1wh5 s ARG 42 Cb -0.23 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.32 1wh5 s ARG 42 CO 0.65 -0.10 -0.24 0.42 -0.81 0.00 0.00 175.30 175.22 1wh5 s ILE 43 N -3.20 1.90 0.38 4.11 1.01 -1.26 -4.88 121.20 119.26 1wh5 s ILE 43 Ca 0.00 -1.08 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 1wh5 s ILE 43 Cb 0.03 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.95 1wh5 s ILE 43 CO -0.07 0.49 0.71 -1.10 0.00 0.00 0.00 174.94 174.96 1wh5 s GLN 44 N -0.69 2.16 0.00 2.79 -0.21 -1.26 -5.01 119.66 117.44 1wh5 s GLN 44 Ca 0.09 -1.54 0.22 0.00 0.02 0.00 0.00 55.36 54.15 1wh5 s GLN 44 Cb -0.09 0.58 1.16 0.00 1.00 0.00 0.00 33.01 35.66 1wh5 s GLN 44 CO -0.00 -0.98 1.69 -2.13 -2.12 0.00 0.00 175.29 171.75 1wh5 n ARG 45 N -0.54 0.43 -0.10 2.91 0.00 -1.26 -1.18 116.66 116.92 1wh5 n ARG 45 Ca -0.06 0.06 -0.23 0.00 -0.00 0.00 0.00 57.85 57.62 1wh5 n ARG 45 Cb 0.60 -1.50 -0.12 0.00 0.00 0.00 0.00 32.46 31.45 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 1wh5 n GLN 46 N -1.20 0.63 0.15 -0.14 6.02 -1.26 -4.23 117.38 117.36 1wh5 n GLN 46 Ca 0.12 0.33 0.13 0.00 -0.01 0.00 0.00 57.00 57.57 1wh5 n GLN 46 Cb 0.14 -1.62 0.37 0.00 1.02 0.00 0.00 30.24 30.15 1wh5 n GLN 46 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1wh5 h ASP 47 N -0.56 0.00 -0.86 1.08 3.32 -1.91 -3.33 116.42 114.16 1wh5 h ASP 47 Ca -0.52 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.61 1wh5 h ASP 47 Cb 1.68 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.13 1wh5 h ASP 47 CO -0.18 0.00 -0.51 -0.67 -1.72 0.00 0.00 179.24 176.16 1wh5 n ASP 48 N -2.53 -0.91 -0.33 6.45 -0.08 -0.33 0.20 116.55 119.03 1wh5 n ASP 48 Ca 0.05 1.64 0.24 0.00 -1.51 0.00 0.00 54.79 55.21 1wh5 n ASP 48 Cb 0.43 -0.26 0.47 0.00 2.34 0.00 0.00 41.12 44.11 1wh5 n ASP 48 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1wh5 h GLU 49 N 0.00 0.17 0.03 -0.67 4.22 -1.82 1.04 114.58 117.55 1wh5 h GLU 49 Ca 0.14 -0.01 -0.17 0.00 0.08 0.00 0.00 59.36 59.39 1wh5 h GLU 49 Cb 0.35 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wh5 h GLU 49 CO -0.81 0.11 -0.70 0.28 -2.18 0.00 0.00 179.01 175.72 1wh5 h VAL 50 N 0.17 1.43 0.39 0.32 2.07 0.17 -1.15 116.25 119.64 1wh5 h VAL 50 Ca 0.74 -2.18 -0.01 0.00 0.82 0.00 0.00 66.70 66.06 1wh5 h VAL 50 Cb 1.75 2.69 -0.01 0.00 -1.52 0.00 0.00 31.29 34.20 1wh5 h VAL 50 CO -0.70 0.64 -0.32 0.40 0.02 0.00 0.00 177.57 177.61 1wh5 h ILE 51 N -0.10 0.00 -0.50 4.57 1.08 0.86 1.52 117.51 124.95 1wh5 h ILE 51 Ca -0.10 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.44 1wh5 h ILE 51 Cb 1.42 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.11 1wh5 h ILE 51 CO 0.14 0.00 0.17 -0.61 -0.69 0.00 0.00 178.15 177.15 1wh5 h GLN 52 N -0.69 0.33 -0.24 2.37 4.15 0.60 -1.53 115.11 120.10 1wh5 h GLN 52 Ca -0.05 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.37 1wh5 h GLN 52 Cb 0.58 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.17 1wh5 h GLN 52 CO 0.00 0.22 0.09 -0.09 -1.93 0.00 0.00 178.83 177.12 1wh5 h ARG 53 N 0.34 0.21 -0.53 1.69 9.65 -0.96 -1.08 114.38 123.69 1wh5 h ARG 53 Ca 0.24 -0.01 0.15 0.00 -1.10 0.00 0.00 59.98 59.26 1wh5 h ARG 53 Cb 0.26 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1wh5 h ARG 53 CO -0.25 0.14 0.38 0.35 2.80 0.00 0.00 179.97 183.38 1wh5 h PHE 54 N 0.21 0.03 0.00 2.20 3.04 0.30 1.38 116.94 124.10 1wh5 h PHE 54 Ca 0.10 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1wh5 h PHE 54 Cb 0.06 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.56 1wh5 h PHE 54 CO -0.12 0.01 0.00 0.00 -2.02 0.00 0.00 178.31 176.19 1wh5 n GLN 56 N -1.57 0.63 -0.11 0.00 6.02 0.47 -1.85 117.38 120.97 1wh5 n GLN 56 Ca 0.05 -0.01 -0.15 0.00 -0.01 0.00 0.00 57.00 56.87 1wh5 n GLN 56 Cb 0.24 -1.70 -0.13 0.00 1.02 0.00 0.00 30.24 29.66 1wh5 n GLN 56 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1wh5 n GLU 57 N -2.51 0.67 -0.12 -1.09 0.28 -0.80 -4.70 120.64 112.36 1wh5 n GLU 57 Ca -0.02 0.11 -0.23 0.00 -0.16 0.00 0.00 57.16 56.86 1wh5 n GLU 57 Cb 0.57 -1.54 -0.08 0.00 1.43 0.00 0.00 31.44 31.82 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 -3.10 1.52 0.00 3.84 -2.24 0.10 -5.02 114.28 109.38 1wh5 n THR 58 Ca -0.40 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 1wh5 n THR 58 Cb 1.05 -2.03 0.00 0.00 -2.10 0.00 0.00 70.33 67.25 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 1.34 0.72 3.77 3.38 0.00 -0.77 -4.84 105.19 108.79 1wh5 n GLY 59 Ca -0.41 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.00 3.49 0.31 1.61 1.01 -1.26 -4.72 120.40 118.84 1wh5 s VAL 60 Ca 0.00 1.36 -0.28 0.00 0.00 0.00 0.00 61.98 63.06 1wh5 s VAL 60 Cb 0.00 -3.81 -0.09 0.00 0.00 0.00 0.00 36.38 32.47 1wh5 s VAL 60 CO 0.00 0.22 1.07 -2.16 0.00 0.00 0.00 175.10 174.23 1wh5 s PRO 61 N -1.86 4.52 0.14 2.72 0.04 -1.26 -4.46 135.00 134.84 1wh5 s PRO 61 Ca 0.50 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.97 1wh5 s PRO 61 Cb -0.29 -3.01 -0.01 0.00 0.04 0.00 0.00 34.50 31.22 1wh5 s PRO 61 CO 0.37 0.13 1.59 -0.09 0.04 0.00 0.00 177.00 179.05 1wh5 h ARG 62 N 3.46 -0.38 -1.25 4.56 2.43 -1.94 0.54 114.38 121.80 1wh5 h ARG 62 Ca -0.47 0.03 0.36 0.00 -0.81 0.00 0.00 59.98 59.09 1wh5 h ARG 62 Cb 1.21 0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 1wh5 h ARG 62 CO 0.66 -0.25 0.89 0.37 -1.51 0.00 0.00 179.97 180.12 1wh5 h GLN 63 N -0.39 0.06 0.04 0.20 4.15 -1.99 0.54 115.11 117.72 1wh5 h GLN 63 Ca 0.11 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 1wh5 h GLN 63 Cb 0.58 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1wh5 h GLN 63 CO -0.44 0.04 -0.34 0.28 -1.93 0.00 0.00 178.83 176.44 1wh5 h VAL 64 N 0.06 1.63 0.00 2.39 2.07 -0.66 -2.61 116.25 119.14 1wh5 h VAL 64 Ca 0.62 -2.38 0.00 0.00 0.82 0.00 0.00 66.70 65.76 1wh5 h VAL 64 Cb 2.33 3.24 0.00 0.00 -1.52 0.00 0.00 31.29 35.34 1wh5 h VAL 64 CO -0.07 0.61 0.05 0.25 0.02 0.00 0.00 177.57 178.44 1wh5 h LEU 65 N -0.83 0.00 0.00 2.57 7.12 0.37 0.94 115.31 125.49 1wh5 h LEU 65 Ca -0.07 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.94 1wh5 h LEU 65 Cb 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 1wh5 h LEU 65 CO 0.02 0.00 -0.00 0.50 -0.13 0.00 0.00 178.44 178.83 1wh5 h LYS 66 N 0.00 0.00 -0.45 1.25 3.64 -0.14 -3.31 116.57 117.56 1wh5 h LYS 66 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1wh5 h LYS 66 Cb 0.10 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 31.87 1wh5 h LYS 66 CO 0.00 0.00 0.12 -0.39 -2.27 0.00 0.00 179.45 176.91 1wh5 h VAL 67 N -0.01 0.80 -0.67 2.00 -1.51 -1.25 -2.30 116.25 113.31 1wh5 h VAL 67 Ca 0.00 -0.09 0.06 0.00 -1.23 0.00 0.00 66.70 65.44 1wh5 h VAL 67 Cb 0.00 0.51 -0.08 0.00 -2.13 0.00 0.00 31.29 29.59 1wh5 h VAL 67 CO 0.00 0.05 -0.40 1.87 -1.23 0.00 0.00 177.57 177.86 1wh5 n TRP 68 N -5.07 -0.29 -0.31 5.19 -0.00 0.32 0.23 117.44 117.51 1wh5 n TRP 68 Ca 0.04 0.84 0.00 0.00 -0.00 0.00 0.00 57.50 58.38 1wh5 n TRP 68 Cb 0.20 -0.54 0.07 0.00 -0.00 0.00 0.00 31.31 31.04 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 -1.09 -0.15 5.87 3.38 -1.50 0.51 115.31 122.34 1wh5 h LEU 69 Ca 0.11 0.27 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 1wh5 h LEU 69 Cb 0.27 0.62 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1wh5 h LEU 69 CO -0.63 -0.29 0.05 -0.74 0.09 0.00 0.00 178.44 176.92 1wh5 h HIS 70 N -0.03 0.23 -0.84 1.13 2.76 0.22 1.82 115.15 120.44 1wh5 h HIS 70 Ca 0.36 -0.02 0.24 0.00 -2.20 0.00 0.00 60.37 58.75 1wh5 h HIS 70 Cb 0.61 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.47 1wh5 h HIS 70 CO -0.74 0.34 0.69 -0.91 -1.30 0.00 0.00 177.93 176.00 1wh5 h ASN 71 N 0.06 0.00 0.00 3.26 2.35 0.74 -2.53 115.58 119.46 1wh5 h ASN 71 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1wh5 h ASN 71 Cb 0.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.58 1wh5 h ASN 71 CO -0.00 0.00 -0.71 0.59 -1.65 0.00 0.00 177.43 175.65 1wh5 n ASN 72 N -4.00 1.77 -4.53 5.81 3.02 0.11 -4.67 115.26 112.79 1wh5 n ASN 72 Ca 0.17 0.46 -0.38 0.00 -0.03 0.00 0.00 54.58 54.80 1wh5 n ASN 72 Cb 0.98 -0.79 -0.08 0.00 -0.61 0.00 0.00 39.78 39.28 1wh5 n ASN 72 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1wh5 n LYS 73 N -4.42 0.59 -1.89 3.52 5.02 0.61 -3.76 118.16 117.83 1wh5 n LYS 73 Ca -0.10 -0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 1wh5 n LYS 73 Cb 0.37 -2.59 0.00 0.00 -0.02 0.00 0.00 35.03 32.80 1wh5 n LYS 73 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1wh5 n HIS 74 N 13.49 -3.54 -3.74 2.13 -0.00 -1.26 -4.72 115.22 117.58 1wh5 n HIS 74 Ca 0.50 2.11 0.00 0.00 -0.00 0.00 0.00 57.72 60.33 1wh5 n HIS 74 Cb 0.32 -3.31 0.00 0.00 -0.00 0.00 0.00 29.99 26.99 1wh5 n HIS 74 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wh5 s SER 75 N -0.42 -0.06 0.00 0.26 0.15 -1.25 -4.80 113.70 107.59 1wh5 s SER 75 Ca 0.00 -0.26 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1wh5 s SER 75 Cb 0.00 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 1wh5 s SER 75 CO 0.00 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.56 1wh5 n GLY 76 N -0.59 3.66 0.10 9.45 0.00 -1.26 -4.25 105.19 112.30 1wh5 n GLY 76 Ca -0.05 -1.71 -0.11 0.00 0.00 0.00 0.00 46.02 44.15 1wh5 n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh5 h PRO 77 N 0.00 -0.11 -3.94 1.61 0.13 -2.03 -3.41 132.00 124.25 1wh5 h PRO 77 Ca 0.00 0.01 -0.76 0.00 -0.87 0.00 0.00 66.00 64.37 1wh5 h PRO 77 Cb 0.00 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 30.89 1wh5 h PRO 77 CO 0.00 0.43 -0.10 0.45 -0.23 0.00 0.00 178.00 178.54 1wh5 s SER 78 N -5.69 6.30 0.63 1.44 0.15 -1.26 -4.96 113.70 110.31 1wh5 s SER 78 Ca -0.13 -2.36 0.00 0.00 0.70 0.00 0.00 55.95 54.16 1wh5 s SER 78 Cb -0.00 -2.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.16 1wh5 s SER 78 CO 0.51 -0.65 0.00 -1.20 1.20 0.00 0.00 173.24 173.10 1wh5 n SER 79 N 4.40 -7.93 -0.22 5.45 7.64 -1.26 -5.18 113.62 116.52 1wh5 n SER 79 Ca 0.03 1.50 0.03 0.00 1.01 0.00 0.00 58.87 61.44 1wh5 n SER 79 Cb 0.43 -5.03 0.02 0.00 -1.01 0.00 0.00 64.21 58.62 1wh5 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64