#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 0.18 0.59 1.61 0.01 -1.26 -5.09 113.70 109.74 1wh5 s SER 2 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1wh5 s SER 2 Cb 0.00 -0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.20 1wh5 s SER 2 CO 0.00 0.01 0.00 -1.20 0.41 0.00 0.00 173.24 172.46 1wh5 n SER 3 N 3.12 -7.93 -4.23 2.44 7.64 -1.26 -4.74 113.62 108.67 1wh5 n SER 3 Ca -0.13 1.65 -0.42 0.00 1.01 0.00 0.00 58.87 60.97 1wh5 n SER 3 Cb 0.59 -4.86 -0.06 0.00 -1.01 0.00 0.00 64.21 58.87 1wh5 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wh5 s GLY 4 N -6.12 2.46 -0.22 0.23 0.00 -1.26 -5.04 107.32 97.38 1wh5 s GLY 4 Ca 0.00 -3.10 -0.06 0.00 0.00 0.00 0.00 44.72 41.56 1wh5 s GLY 4 CO 0.00 1.18 0.02 -0.45 0.00 0.00 0.00 173.10 173.85 1wh5 s SER 5 N 1.91 4.90 -0.41 1.64 0.15 -1.26 -5.03 113.70 115.59 1wh5 s SER 5 Ca 0.14 -0.21 0.04 0.00 0.70 0.00 0.00 55.95 56.62 1wh5 s SER 5 Cb -0.18 -1.85 0.16 0.00 -1.71 0.00 0.00 66.02 62.45 1wh5 s SER 5 CO -0.05 0.03 0.38 -0.44 1.20 0.00 0.00 173.24 174.37 1wh5 s SER 6 N 1.19 1.20 0.00 5.45 0.01 -1.26 -4.98 113.70 115.31 1wh5 s SER 6 Ca 0.03 -2.38 0.00 0.00 1.31 0.00 0.00 55.95 54.92 1wh5 s SER 6 Cb -0.14 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.23 1wh5 s SER 6 CO 0.02 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.08 1wh5 n GLY 7 N 3.39 -0.77 3.15 3.44 0.00 -1.26 -5.12 105.19 108.02 1wh5 n GLY 7 Ca 0.21 -0.37 0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.37 -1.14 0.00 1.61 0.15 -1.26 -5.01 113.70 107.68 1wh5 s SER 8 Ca 0.00 0.51 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1wh5 s SER 8 Cb 0.00 1.88 0.00 0.00 -1.71 0.00 0.00 66.02 66.19 1wh5 s SER 8 CO 0.00 -0.21 0.00 -1.20 1.20 0.00 0.00 173.24 173.03 1wh5 n SER 9 N 5.41 0.00 -1.87 5.45 7.64 -1.26 -4.76 113.62 124.23 1wh5 n SER 9 Ca -0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 1wh5 n SER 9 Cb 0.53 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.72 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh5 n ALA 10 N 0.22 -2.63 -3.27 -0.43 0.00 -1.26 -4.73 120.51 108.40 1wh5 n ALA 10 Ca 0.00 0.53 -0.15 0.00 0.00 0.00 0.00 53.44 53.82 1wh5 n ALA 10 Cb 0.00 -1.28 0.02 0.00 0.00 0.00 0.00 19.45 18.18 1wh5 n ALA 10 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wh5 n GLU 11 N 1.07 -1.16 -0.09 0.00 2.13 -1.26 -4.96 120.64 116.36 1wh5 n GLU 11 Ca -0.05 1.19 -0.11 0.00 0.66 0.00 0.00 57.16 58.85 1wh5 n GLU 11 Cb 0.08 -1.81 -0.04 0.00 0.27 0.00 0.00 31.44 29.94 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wh5 n ALA 12 N 0.64 0.90 -1.77 4.31 0.00 -1.26 -4.97 120.51 118.36 1wh5 n ALA 12 Ca -0.03 -0.84 -0.40 0.00 0.00 0.00 0.00 53.44 52.18 1wh5 n ALA 12 Cb 0.54 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.02 1wh5 n ALA 12 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1wh5 s GLY 13 N -4.95 2.93 0.00 0.00 0.00 -1.26 -4.94 107.32 99.10 1wh5 s GLY 13 Ca -0.30 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1wh5 s GLY 13 CO 0.43 1.78 0.00 0.61 0.00 0.00 0.00 173.10 175.92 1wh5 n GLY 14 N 0.70 -1.91 0.00 0.20 0.00 -1.26 -5.16 105.19 97.76 1wh5 n GLY 14 Ca 0.03 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.00 -0.76 3.47 -0.02 0.00 -1.26 -4.87 105.19 101.75 1wh5 n GLY 15 Ca 0.00 -0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.42 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 0.00 4.90 -0.28 -0.61 1.09 -1.26 -4.99 121.20 120.05 1wh5 s ILE 16 Ca 0.00 -0.30 -0.25 0.00 -1.10 0.00 0.00 60.65 59.00 1wh5 s ILE 16 Cb 0.00 -4.22 0.12 0.00 -1.06 0.00 0.00 42.46 37.30 1wh5 s ILE 16 CO 0.00 -0.68 1.03 -0.13 -0.10 0.00 0.00 174.94 175.07 1wh5 s ARG 17 N 2.58 0.50 0.21 2.79 0.52 -1.26 -5.18 118.95 119.11 1wh5 s ARG 17 Ca 0.16 0.60 -0.23 0.00 -0.52 0.00 0.00 55.73 55.75 1wh5 s ARG 17 Cb -0.17 0.24 0.06 0.00 0.52 0.00 0.00 34.95 35.60 1wh5 s ARG 17 CO 0.14 -0.06 0.92 -1.59 0.02 0.00 0.00 175.30 174.73 1wh5 s LYS 18 N 0.25 1.45 0.91 3.54 -2.85 -1.26 -5.16 119.74 116.62 1wh5 s LYS 18 Ca 0.03 -0.85 -0.11 0.00 -1.00 0.00 0.00 55.97 54.04 1wh5 s LYS 18 Cb -0.05 0.46 0.14 0.00 -2.06 0.00 0.00 37.83 36.32 1wh5 s LYS 18 CO -0.06 -0.67 1.10 1.03 0.10 0.00 0.00 175.35 176.84 1wh5 s ARG 19 N -3.02 1.11 -0.94 1.78 3.00 -1.26 -4.95 118.95 114.67 1wh5 s ARG 19 Ca 0.15 1.14 -0.00 0.00 0.00 0.00 0.00 55.73 57.01 1wh5 s ARG 19 Cb -0.03 -1.77 0.31 0.00 0.00 0.00 0.00 34.95 33.47 1wh5 s ARG 19 CO 0.05 -2.44 1.50 1.58 0.00 0.00 0.00 175.30 175.99 1wh5 n HIS 20 N -4.06 2.89 -1.30 -0.53 -0.00 -1.26 -4.96 115.22 106.00 1wh5 n HIS 20 Ca 0.08 -2.93 0.00 0.00 0.46 0.00 0.00 57.72 55.34 1wh5 n HIS 20 Cb 0.54 -1.05 0.00 0.00 -0.12 0.00 0.00 29.99 29.36 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 0.38 -3.69 -3.77 1.57 0.63 -1.26 -4.99 116.66 105.52 1wh5 n ARG 21 Ca 0.37 2.71 -0.24 0.00 -0.92 0.00 0.00 57.85 59.77 1wh5 n ARG 21 Cb 0.31 -3.01 -0.02 0.00 0.45 0.00 0.00 32.46 30.19 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 -2.40 5.22 -1.25 5.15 -4.23 -1.26 -4.99 115.64 111.88 1wh5 s THR 22 Ca 0.00 -0.67 -0.19 0.00 -1.18 0.00 0.00 61.69 59.65 1wh5 s THR 22 Cb 0.00 -3.81 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1wh5 s THR 22 CO 0.00 -0.31 1.88 1.17 -0.54 0.00 0.00 174.62 176.82 1wh5 n LYS 23 N -1.18 2.58 -2.26 3.99 0.00 -1.26 -4.92 118.16 115.11 1wh5 n LYS 23 Ca -0.07 -2.85 -0.43 0.00 0.00 0.00 0.00 58.31 54.97 1wh5 n LYS 23 Cb 0.56 -3.49 -0.02 0.00 0.00 0.00 0.00 35.03 32.08 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 6.00 2.40 0.69 5.64 0.08 -1.26 -5.00 117.98 126.52 1wh5 s PHE 24 Ca 0.57 0.70 -0.07 0.00 0.12 0.00 0.00 56.93 58.24 1wh5 s PHE 24 Cb 0.05 -3.88 0.04 0.00 -0.57 0.00 0.00 43.02 38.66 1wh5 s PHE 24 CO 0.07 -2.40 1.01 -0.08 -0.10 0.00 0.00 175.22 173.72 1wh5 s THR 25 N 4.58 2.74 0.33 0.64 -1.32 -1.26 -4.48 115.64 116.87 1wh5 s THR 25 Ca 0.64 -0.09 0.20 0.00 -1.21 0.00 0.00 61.69 61.22 1wh5 s THR 25 Cb -0.22 -3.17 0.32 0.00 -1.51 0.00 0.00 72.50 67.92 1wh5 s THR 25 CO 0.25 -0.19 1.40 0.00 -2.21 0.00 0.00 174.62 173.87 1wh5 n ALA 26 N -2.88 0.94 -0.17 11.08 0.00 -1.26 0.12 120.51 128.34 1wh5 n ALA 26 Ca 0.07 0.89 0.00 0.00 0.00 0.00 0.00 53.44 54.40 1wh5 n ALA 26 Cb 0.59 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -4.96 0.00 -0.25 0.00 2.13 -1.26 -0.52 120.64 115.79 1wh5 n GLU 27 Ca 0.34 0.42 0.04 0.00 0.66 0.00 0.00 57.16 58.62 1wh5 n GLU 27 Cb 1.17 -1.28 0.15 0.00 0.27 0.00 0.00 31.44 31.74 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 0.10 0.36 5.31 1.08 -1.27 1.59 115.11 122.27 1wh5 h GLN 28 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1wh5 h GLN 28 Cb 0.00 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1wh5 h GLN 28 CO 0.00 0.07 -0.43 0.87 -0.95 0.00 0.00 178.83 178.39 1wh5 h LYS 29 N 0.11 -0.77 -0.64 1.46 1.57 0.84 0.73 116.57 119.86 1wh5 h LYS 29 Ca 0.40 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 59.29 1wh5 h LYS 29 Cb 0.69 0.18 -0.04 0.00 0.08 0.00 0.00 32.23 33.14 1wh5 h LYS 29 CO -0.64 -0.52 0.42 0.93 -0.57 0.00 0.00 179.45 179.07 1wh5 h GLU 30 N -0.80 0.64 -0.03 3.15 5.08 0.49 0.68 114.58 123.79 1wh5 h GLU 30 Ca -0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1wh5 h GLU 30 Cb 0.72 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wh5 h GLU 30 CO -0.09 0.43 0.01 0.00 -1.00 0.00 0.00 179.01 178.36 1wh5 h ARG 31 N 0.66 0.04 -0.15 2.33 2.47 0.32 0.72 114.38 120.77 1wh5 h ARG 31 Ca 0.27 -0.01 -0.07 0.00 -1.26 0.00 0.00 59.98 58.91 1wh5 h ARG 31 Cb 0.23 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.54 1wh5 h ARG 31 CO -0.08 0.16 -0.19 0.52 0.56 0.00 0.00 179.97 180.93 1wh5 h MET 32 N -0.09 0.40 -0.40 0.04 2.86 0.12 -0.43 114.93 117.43 1wh5 h MET 32 Ca 0.01 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1wh5 h MET 32 Cb 0.13 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1wh5 h MET 32 CO -0.00 0.80 0.26 -0.07 1.06 0.00 0.00 176.91 178.96 1wh5 h LEU 33 N 0.02 0.47 -1.57 1.22 3.38 0.39 1.59 115.31 120.81 1wh5 h LEU 33 Ca 0.02 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1wh5 h LEU 33 Cb 0.75 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1wh5 h LEU 33 CO 0.05 0.36 -0.23 0.00 0.09 0.00 0.00 178.44 178.71 1wh5 h ALA 34 N 1.13 1.44 0.02 1.53 0.00 0.48 -0.46 119.26 123.39 1wh5 h ALA 34 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wh5 h ALA 34 Cb -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1wh5 h ALA 34 CO -0.03 0.29 -0.01 1.25 0.00 0.00 0.00 179.25 180.75 1wh5 h LEU 35 N 0.00 -0.02 -1.67 0.00 5.85 0.34 -3.10 115.31 116.71 1wh5 h LEU 35 Ca -0.00 -0.59 0.00 0.00 0.84 0.00 0.00 57.88 58.12 1wh5 h LEU 35 Cb 0.46 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1wh5 h LEU 35 CO 0.03 0.76 0.09 0.00 -0.34 0.00 0.00 178.44 178.97 1wh5 h ALA 36 N -0.35 1.07 -0.00 1.25 0.00 0.24 1.18 119.26 122.64 1wh5 h ALA 36 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wh5 h ALA 36 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1wh5 h ALA 36 CO 0.00 -0.07 -0.38 0.39 0.00 0.00 0.00 179.25 179.20 1wh5 n GLU 37 N -2.43 0.40 -0.00 0.00 1.02 -0.20 0.78 120.64 120.22 1wh5 n GLU 37 Ca -0.02 -0.23 0.06 0.00 -0.02 0.00 0.00 57.16 56.95 1wh5 n GLU 37 Cb 0.13 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 29.96 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 -1.10 1.05 -0.06 3.49 1.85 0.39 -4.55 116.66 117.73 1wh5 n ARG 38 Ca 0.09 -0.09 -0.07 0.00 -1.00 0.00 0.00 57.85 56.79 1wh5 n ARG 38 Cb 0.34 -1.24 -0.10 0.00 -1.05 0.00 0.00 32.46 30.41 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 -1.77 0.88 0.00 8.89 -5.35 -0.28 -5.01 119.36 116.71 1wh5 n ILE 39 Ca -0.01 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 1wh5 n ILE 39 Cb 0.29 -0.68 0.00 0.00 -1.74 0.00 0.00 39.64 37.52 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 2.23 1.77 2.68 3.28 0.00 0.01 -4.31 105.19 110.85 1wh5 n GLY 40 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.06 -1.43 -4.06 1.61 7.02 0.23 -4.98 117.44 114.77 1wh5 n TRP 41 Ca 0.00 0.29 -0.12 0.00 -1.02 0.00 0.00 57.50 56.65 1wh5 n TRP 41 Cb 0.00 -3.95 -0.11 0.00 -2.42 0.00 0.00 31.31 24.83 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 -5.33 0.52 -0.07 -0.99 3.52 -1.26 -4.87 118.95 110.48 1wh5 s ARG 42 Ca 0.17 -0.79 0.04 0.00 -0.13 0.00 0.00 55.73 55.02 1wh5 s ARG 42 Cb -0.07 -0.22 -0.00 0.00 -1.56 0.00 0.00 34.95 33.10 1wh5 s ARG 42 CO 0.21 0.03 -0.20 0.42 -0.81 0.00 0.00 175.30 174.95 1wh5 s ILE 43 N -1.62 1.70 0.26 4.11 1.09 -1.26 -4.83 121.20 120.65 1wh5 s ILE 43 Ca -0.09 -0.84 0.05 0.00 -1.10 0.00 0.00 60.65 58.67 1wh5 s ILE 43 Cb -0.08 -1.47 -0.02 0.00 -1.06 0.00 0.00 42.46 39.83 1wh5 s ILE 43 CO -0.00 0.48 0.25 0.00 -0.10 0.00 0.00 174.94 175.57 1wh5 n GLN 44 N 3.32 0.36 0.10 2.79 1.13 -1.26 -5.02 117.38 118.80 1wh5 n GLN 44 Ca -0.19 -2.55 0.12 0.00 -1.94 0.00 0.00 57.00 52.44 1wh5 n GLN 44 Cb 0.53 2.15 0.45 0.00 0.11 0.00 0.00 30.24 33.48 1wh5 n GLN 44 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1wh5 n ARG 45 N -0.49 0.18 -0.07 -1.09 0.63 -1.26 -1.41 116.66 113.15 1wh5 n ARG 45 Ca 0.05 0.30 -0.08 0.00 -0.92 0.00 0.00 57.85 57.20 1wh5 n ARG 45 Cb 0.47 -1.79 -0.06 0.00 0.45 0.00 0.00 32.46 31.54 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1wh5 h GLN 46 N 0.00 0.00 0.00 -0.14 1.08 -2.02 -3.32 115.11 110.71 1wh5 h GLN 46 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1wh5 h GLN 46 Cb 0.49 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1wh5 h GLN 46 CO 0.00 0.44 0.00 -0.25 -0.95 0.00 0.00 178.83 178.07 1wh5 n ASP 47 N -4.65 0.40 -0.33 1.46 8.00 -1.22 -3.10 116.55 117.11 1wh5 n ASP 47 Ca -0.09 0.60 0.26 0.00 0.71 0.00 0.00 54.79 56.27 1wh5 n ASP 47 Cb 0.29 -0.68 0.51 0.00 -0.02 0.00 0.00 41.12 41.22 1wh5 n ASP 47 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wh5 h ASP 48 N 0.00 0.38 -0.22 -2.24 5.19 -1.33 1.70 116.42 119.90 1wh5 h ASP 48 Ca 0.00 0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.64 1wh5 h ASP 48 Cb 0.33 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 1wh5 h ASP 48 CO 0.00 -0.27 0.14 -0.08 -3.12 0.00 0.00 179.24 175.91 1wh5 h GLU 49 N 0.17 0.29 -0.22 3.56 4.81 -1.77 0.80 114.58 122.21 1wh5 h GLU 49 Ca 0.77 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.79 1wh5 h GLU 49 Cb 1.88 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 31.19 1wh5 h GLU 49 CO -0.69 0.20 -0.63 0.28 -0.73 0.00 0.00 179.01 177.44 1wh5 h VAL 50 N 0.29 1.29 0.23 0.32 2.07 0.10 -0.92 116.25 119.63 1wh5 h VAL 50 Ca 0.08 -1.84 -0.01 0.00 0.82 0.00 0.00 66.70 65.75 1wh5 h VAL 50 Cb -0.03 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1wh5 h VAL 50 CO -0.02 0.59 -0.11 0.40 0.02 0.00 0.00 177.57 178.45 1wh5 h ILE 51 N 0.58 0.00 -0.99 4.57 1.08 0.23 1.51 117.51 124.49 1wh5 h ILE 51 Ca -0.01 -0.02 0.23 0.00 -0.39 0.00 0.00 64.86 64.67 1wh5 h ILE 51 Cb 1.24 0.00 -0.09 0.00 -3.07 0.00 0.00 36.82 34.90 1wh5 h ILE 51 CO 0.13 0.00 0.63 1.56 -0.69 0.00 0.00 178.15 179.78 1wh5 h GLN 52 N -0.33 0.49 0.14 2.37 4.20 0.51 0.14 115.11 122.62 1wh5 h GLN 52 Ca -0.03 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1wh5 h GLN 52 Cb 0.24 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1wh5 h GLN 52 CO 0.05 0.32 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.38 1wh5 h ARG 53 N 0.50 -0.18 -0.44 1.46 9.65 -0.98 -3.03 114.38 121.35 1wh5 h ARG 53 Ca 0.56 0.01 0.13 0.00 -1.10 0.00 0.00 59.98 59.58 1wh5 h ARG 53 Cb 1.24 0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.85 1wh5 h ARG 53 CO -0.29 0.24 0.34 0.35 2.80 0.00 0.00 179.97 183.41 1wh5 h PHE 54 N -0.66 0.00 0.00 2.20 3.04 0.37 1.26 116.94 123.14 1wh5 h PHE 54 Ca -0.02 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.93 1wh5 h PHE 54 Cb 0.50 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.01 1wh5 h PHE 54 CO 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.36 1wh5 n GLN 56 N -1.73 0.69 0.09 0.00 6.02 0.43 -0.67 117.38 122.21 1wh5 n GLN 56 Ca 0.04 0.28 -0.18 0.00 -0.01 0.00 0.00 57.00 57.12 1wh5 n GLN 56 Cb 0.22 -1.76 -0.14 0.00 1.02 0.00 0.00 30.24 29.57 1wh5 n GLN 56 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1wh5 h GLU 57 N 0.03 0.32 0.02 -1.09 4.11 -1.12 -3.38 114.58 113.48 1wh5 h GLU 57 Ca -0.35 -0.55 -0.31 0.00 0.07 0.00 0.00 59.36 58.22 1wh5 h GLU 57 Cb 2.02 0.20 -0.04 0.00 0.50 0.00 0.00 28.75 31.44 1wh5 h GLU 57 CO 0.08 1.23 -1.73 0.25 0.07 0.00 0.00 179.01 178.91 1wh5 n THR 58 N -3.54 1.58 0.00 -1.06 -2.24 0.30 -5.00 114.28 104.32 1wh5 n THR 58 Ca -0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1wh5 n THR 58 Cb 1.05 -1.92 0.00 0.00 -2.10 0.00 0.00 70.33 67.36 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 1.55 0.39 3.76 3.38 0.00 0.16 -5.04 105.19 109.39 1wh5 n GLY 59 Ca -0.38 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 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 0.45 1.61 1.01 -1.24 -4.95 120.40 118.76 1wh5 s VAL 60 Ca 0.00 1.40 -0.22 0.00 0.00 0.00 0.00 61.98 63.16 1wh5 s VAL 60 Cb 0.00 -3.85 -0.09 0.00 0.00 0.00 0.00 36.38 32.44 1wh5 s VAL 60 CO 0.00 0.26 1.04 -2.16 0.00 0.00 0.00 175.10 174.25 1wh5 s PRO 61 N -1.74 3.95 0.08 2.72 0.04 -1.26 -4.44 135.00 134.36 1wh5 s PRO 61 Ca 0.48 1.43 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1wh5 s PRO 61 Cb -0.30 -2.28 -0.16 0.00 0.04 0.00 0.00 34.50 31.80 1wh5 s PRO 61 CO 0.38 -0.31 1.64 -0.09 0.04 0.00 0.00 177.00 178.66 1wh5 h ARG 62 N 1.96 -0.65 -0.96 4.56 2.43 -1.95 0.08 114.38 119.85 1wh5 h ARG 62 Ca -0.49 0.04 0.28 0.00 -0.81 0.00 0.00 59.98 59.00 1wh5 h ARG 62 Cb 1.22 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 30.88 1wh5 h ARG 62 CO 0.60 -0.44 0.83 0.37 -1.51 0.00 0.00 179.97 179.83 1wh5 h GLN 63 N -0.68 0.00 0.05 0.20 4.15 -1.98 0.90 115.11 117.75 1wh5 h GLN 63 Ca -0.05 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1wh5 h GLN 63 Cb 0.56 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.25 1wh5 h GLN 63 CO 0.04 0.00 -0.03 0.28 -1.93 0.00 0.00 178.83 177.20 1wh5 h VAL 64 N 0.00 0.00 -0.28 2.39 2.07 -1.61 -2.93 116.25 115.89 1wh5 h VAL 64 Ca 0.46 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 67.12 1wh5 h VAL 64 Cb 2.11 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1wh5 h VAL 64 CO -0.00 0.00 0.34 0.25 0.02 0.00 0.00 177.57 178.17 1wh5 h LEU 65 N -1.00 0.00 0.00 2.57 7.12 0.84 1.54 115.31 126.38 1wh5 h LEU 65 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1wh5 h LEU 65 Cb 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1wh5 h LEU 65 CO 0.01 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.49 1wh5 n LYS 66 N -3.64 0.00 0.04 1.25 4.81 0.29 -2.78 118.16 118.13 1wh5 n LYS 66 Ca 0.04 0.49 0.02 0.00 -0.87 0.00 0.00 58.31 57.99 1wh5 n LYS 66 Cb 0.48 -1.33 0.37 0.00 0.02 0.00 0.00 35.03 34.57 1wh5 n LYS 66 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1wh5 h VAL 67 N 0.00 1.16 -0.82 3.15 2.07 -1.24 -2.83 116.25 117.75 1wh5 h VAL 67 Ca 0.00 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.01 1wh5 h VAL 67 Cb 0.00 0.91 -0.11 0.00 -1.52 0.00 0.00 31.29 30.56 1wh5 h VAL 67 CO 0.00 0.21 -0.56 -0.25 0.02 0.00 0.00 177.57 176.99 1wh5 h TRP 68 N 0.42 -1.74 -0.38 1.57 7.01 0.21 1.46 115.95 124.49 1wh5 h TRP 68 Ca 0.10 0.11 0.06 0.00 2.11 0.00 0.00 58.89 61.27 1wh5 h TRP 68 Cb 0.23 0.87 -0.09 0.00 -2.10 0.00 0.00 29.16 28.07 1wh5 h TRP 68 CO 0.01 -0.41 -0.45 -0.07 -2.79 0.00 0.00 178.44 174.73 1wh5 h LEU 69 N -0.12 -1.49 -0.92 0.65 3.38 -1.32 0.57 115.31 116.06 1wh5 h LEU 69 Ca 0.15 0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.48 1wh5 h LEU 69 Cb 0.48 0.64 -0.09 0.00 0.09 0.00 0.00 40.66 41.78 1wh5 h LEU 69 CO -0.84 -0.38 0.53 -0.74 0.09 0.00 0.00 178.44 177.11 1wh5 h HIS 70 N -0.36 0.95 0.00 1.13 2.76 -0.54 1.19 115.15 120.29 1wh5 h HIS 70 Ca 0.12 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.30 1wh5 h HIS 70 Cb 0.59 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 1wh5 h HIS 70 CO -0.63 0.30 -0.13 -0.91 -1.30 0.00 0.00 177.93 175.26 1wh5 h ASN 71 N 0.79 0.00 0.00 3.26 -0.26 0.58 -3.35 115.58 116.59 1wh5 h ASN 71 Ca 0.48 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.22 1wh5 h ASN 71 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1wh5 h ASN 71 CO -0.32 0.13 0.00 0.59 -1.06 0.00 0.00 177.43 176.78 1wh5 n ASN 72 N -3.86 0.00 -4.36 5.81 3.02 0.25 -4.85 115.26 111.28 1wh5 n ASN 72 Ca -0.02 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.01 1wh5 n ASN 72 Cb 0.23 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.27 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 -0.88 0.09 0.06 3.52 2.85 0.34 -4.81 118.16 119.34 1wh5 n LYS 73 Ca 0.00 0.02 -0.03 0.00 -1.05 0.00 0.00 58.31 57.25 1wh5 n LYS 73 Cb 0.00 -1.60 -0.01 0.00 -0.65 0.00 0.00 35.03 32.76 1wh5 n LYS 73 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1wh5 h HIS 74 N 10.50 -0.16 -4.15 5.58 -0.00 -1.85 -3.43 115.15 121.63 1wh5 h HIS 74 Ca -0.10 -0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.73 1wh5 h HIS 74 Cb 1.37 0.05 -0.26 0.00 -0.00 0.00 0.00 27.41 28.58 1wh5 h HIS 74 CO 1.02 -0.10 -0.83 0.45 -0.00 0.00 0.00 177.93 178.47 1wh5 s SER 75 N -3.19 2.21 1.10 3.26 0.15 -1.26 -5.11 113.70 110.86 1wh5 s SER 75 Ca -0.03 -0.48 -0.09 0.00 0.70 0.00 0.00 55.95 56.05 1wh5 s SER 75 Cb 0.00 -0.18 0.13 0.00 -1.71 0.00 0.00 66.02 64.26 1wh5 s SER 75 CO 0.08 0.13 0.48 0.61 1.20 0.00 0.00 173.24 175.74 1wh5 n GLY 76 N 1.96 -2.54 3.67 9.45 0.00 -1.26 -4.94 105.19 111.52 1wh5 n GLY 76 Ca -0.17 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1wh5 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wh5 s PRO 77 N -4.09 4.25 -0.13 1.61 0.04 -1.26 -4.40 135.00 131.02 1wh5 s PRO 77 Ca 0.31 1.68 -0.09 0.00 0.04 0.00 0.00 61.00 62.94 1wh5 s PRO 77 Cb -0.03 -3.73 0.03 0.00 0.04 0.00 0.00 34.50 30.81 1wh5 s PRO 77 CO 0.24 -0.67 0.18 0.43 0.04 0.00 0.00 177.00 177.22 1wh5 n SER 78 N 6.37 -1.27 -3.15 6.66 7.64 -1.26 -5.08 113.62 123.53 1wh5 n SER 78 Ca 0.13 1.08 0.05 0.00 1.01 0.00 0.00 58.87 61.15 1wh5 n SER 78 Cb 0.45 -4.32 -0.01 0.00 -1.01 0.00 0.00 64.21 59.32 1wh5 n SER 78 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh5 s SER 79 N -0.51 -0.46 0.00 6.43 0.15 -1.26 -5.21 113.70 112.83 1wh5 s SER 79 Ca -0.21 0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1wh5 s SER 79 Cb 0.01 1.34 0.00 0.00 -1.71 0.00 0.00 66.02 65.67 1wh5 s SER 79 CO 0.57 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.53