#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 -0.58 -0.18 1.61 0.01 -1.26 -5.16 113.70 108.15 1wh5 s SER 2 Ca 0.00 1.12 -0.09 0.00 1.31 0.00 0.00 55.95 58.29 1wh5 s SER 2 Cb 0.00 1.13 0.07 0.00 0.21 0.00 0.00 66.02 67.43 1wh5 s SER 2 CO 0.00 -0.19 0.41 -0.55 0.41 0.00 0.00 173.24 173.32 1wh5 s SER 3 N 0.30 -0.44 0.00 2.44 0.15 -1.26 -5.02 113.70 109.87 1wh5 s SER 3 Ca -0.00 0.92 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1wh5 s SER 3 Cb -0.04 0.92 0.00 0.00 -1.71 0.00 0.00 66.02 65.19 1wh5 s SER 3 CO 0.01 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1wh5 n GLY 4 N 4.57 0.00 2.08 9.45 0.00 -1.26 -4.93 105.19 115.11 1wh5 n GLY 4 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 1wh5 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh5 n SER 5 N 1.40 -1.59 -4.48 1.61 7.64 -1.26 -5.13 113.62 111.81 1wh5 n SER 5 Ca 0.00 0.59 -0.26 0.00 1.01 0.00 0.00 58.87 60.22 1wh5 n SER 5 Cb 0.42 1.62 -0.11 0.00 -1.01 0.00 0.00 64.21 65.14 1wh5 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1wh5 s SER 6 N -3.86 3.68 0.00 6.43 0.15 -1.26 -5.15 113.70 113.69 1wh5 s SER 6 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1wh5 s SER 6 Cb 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.93 1wh5 s SER 6 CO 0.00 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.13 1wh5 n GLY 7 N -0.13 2.80 3.69 9.45 0.00 -1.26 -5.13 105.19 114.61 1wh5 n GLY 7 Ca -0.09 -2.02 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1wh5 n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh5 s SER 8 N -0.68 5.07 0.43 1.61 0.01 -1.26 -4.98 113.70 113.90 1wh5 s SER 8 Ca 0.00 -0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.11 1wh5 s SER 8 Cb 0.00 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 65.00 1wh5 s SER 8 CO 0.00 0.18 0.00 -1.54 0.41 0.00 0.00 173.24 172.29 1wh5 n SER 9 N 0.64 -7.12 0.19 2.44 3.41 -1.24 -5.02 113.62 106.93 1wh5 n SER 9 Ca -0.11 0.94 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1wh5 n SER 9 Cb 0.52 -4.24 0.00 0.00 -0.26 0.00 0.00 64.21 60.23 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wh5 n ALA 10 N -3.32 1.15 -3.32 7.33 0.00 -1.26 -4.85 120.51 116.25 1wh5 n ALA 10 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1wh5 n ALA 10 Cb 0.64 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.99 1wh5 n ALA 10 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wh5 s GLU 11 N -1.92 0.53 -0.14 0.00 2.12 -1.26 -5.14 118.70 112.89 1wh5 s GLU 11 Ca 0.00 0.49 -0.02 0.00 0.36 0.00 0.00 54.97 55.80 1wh5 s GLU 11 Cb 0.00 0.26 0.05 0.00 0.26 0.00 0.00 34.13 34.69 1wh5 s GLU 11 CO 0.00 -0.08 0.01 0.00 -0.54 0.00 0.00 175.26 174.65 1wh5 s ALA 12 N 0.00 0.94 0.31 6.30 0.00 -1.26 -4.79 121.76 123.26 1wh5 s ALA 12 Ca -0.02 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.44 1wh5 s ALA 12 Cb -0.03 -1.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.07 1wh5 s ALA 12 CO 0.01 -0.86 0.37 0.20 0.00 0.00 0.00 175.76 175.48 1wh5 s GLY 13 N 1.88 1.64 0.00 0.00 0.00 -1.26 -5.16 107.32 104.42 1wh5 s GLY 13 Ca 0.02 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.09 1wh5 s GLY 13 CO -0.07 -1.16 0.00 0.61 0.00 0.00 0.00 173.10 172.48 1wh5 n GLY 14 N -0.52 -1.42 2.57 0.20 0.00 -1.26 -5.01 105.19 99.76 1wh5 n GLY 14 Ca 0.03 -0.20 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 2.27 0.79 3.43 -0.02 0.00 -1.26 -4.98 105.19 105.42 1wh5 n GLY 15 Ca 0.00 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.23 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 0.38 4.59 0.41 -0.61 2.07 -1.26 -4.98 121.20 121.81 1wh5 s ILE 16 Ca 0.32 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.05 1wh5 s ILE 16 Cb 0.05 -3.39 0.00 0.00 0.13 0.00 0.00 42.46 39.25 1wh5 s ILE 16 CO -0.13 0.01 0.00 -1.14 -1.91 0.00 0.00 174.94 171.77 1wh5 n ARG 17 N 4.98 -2.47 -2.54 3.50 0.63 -1.26 -4.37 116.66 115.14 1wh5 n ARG 17 Ca -0.13 1.90 -0.41 0.00 -0.92 0.00 0.00 57.85 58.29 1wh5 n ARG 17 Cb 0.48 -2.93 -0.02 0.00 0.45 0.00 0.00 32.46 30.45 1wh5 n ARG 17 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1wh5 s LYS 18 N -3.29 3.74 0.34 -0.14 2.20 -1.26 -4.91 119.74 116.43 1wh5 s LYS 18 Ca 0.00 -1.58 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1wh5 s LYS 18 Cb 0.00 -5.45 0.00 0.00 -1.51 0.00 0.00 37.83 30.87 1wh5 s LYS 18 CO 0.00 -2.33 0.00 2.89 -0.36 0.00 0.00 175.35 175.55 1wh5 n ARG 19 N 8.60 0.00 0.01 4.03 1.85 -1.26 -4.93 116.66 124.95 1wh5 n ARG 19 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 57.27 1wh5 n ARG 19 Cb 0.48 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.89 1wh5 n ARG 19 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 1wh5 n HIS 20 N -0.15 -0.59 -4.33 2.89 -0.00 -1.26 -5.09 115.22 106.69 1wh5 n HIS 20 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 57.72 57.56 1wh5 n HIS 20 Cb 0.00 0.53 -0.15 0.00 -0.00 0.00 0.00 29.99 30.37 1wh5 n HIS 20 CO 0.00 0.00 0.00 -0.98 -0.00 0.00 0.00 176.34 175.36 1wh5 s ARG 21 N -1.03 0.69 0.23 1.57 1.70 -1.26 -5.15 118.95 115.70 1wh5 s ARG 21 Ca 0.00 -0.33 0.11 0.00 -0.47 0.00 0.00 55.73 55.05 1wh5 s ARG 21 Cb 0.00 -0.66 -0.05 0.00 -0.57 0.00 0.00 34.95 33.67 1wh5 s ARG 21 CO 0.00 0.18 -0.19 0.95 -1.08 0.00 0.00 175.30 175.16 1wh5 s THR 22 N -0.24 2.58 -0.44 4.99 -4.23 -1.26 -5.06 115.64 111.98 1wh5 s THR 22 Ca 0.03 -2.15 0.07 0.00 -1.18 0.00 0.00 61.69 58.46 1wh5 s THR 22 Cb -0.04 -2.30 0.34 0.00 1.34 0.00 0.00 72.50 71.84 1wh5 s THR 22 CO -0.00 -0.26 1.20 2.29 -0.54 0.00 0.00 174.62 177.31 1wh5 n LYS 23 N -0.23 1.07 -2.33 3.99 0.00 -1.26 -5.11 118.16 114.29 1wh5 n LYS 23 Ca -0.09 -1.87 -0.43 0.00 -0.00 0.00 0.00 58.31 55.92 1wh5 n LYS 23 Cb 0.58 -0.68 -0.02 0.00 -0.00 0.00 0.00 35.03 34.90 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 0.24 2.55 0.59 5.58 0.08 -1.26 -5.00 117.98 120.76 1wh5 s PHE 24 Ca 0.22 0.79 0.01 0.00 0.12 0.00 0.00 56.93 58.07 1wh5 s PHE 24 Cb 0.33 -3.82 0.05 0.00 -0.57 0.00 0.00 43.02 39.01 1wh5 s PHE 24 CO -0.06 -2.12 0.82 -0.08 -0.10 0.00 0.00 175.22 173.68 1wh5 s THR 25 N 4.31 2.54 0.26 0.64 -1.32 -1.26 -4.56 115.64 116.25 1wh5 s THR 25 Ca 0.60 -0.66 0.07 0.00 -1.21 0.00 0.00 61.69 60.49 1wh5 s THR 25 Cb -0.21 -2.88 0.31 0.00 -1.51 0.00 0.00 72.50 68.21 1wh5 s THR 25 CO 0.23 0.00 1.24 0.00 -2.21 0.00 0.00 174.62 173.87 1wh5 n ALA 26 N -2.44 0.55 -0.17 11.08 0.00 -1.26 0.14 120.51 128.40 1wh5 n ALA 26 Ca 0.10 0.83 0.00 0.00 0.00 0.00 0.00 53.44 54.37 1wh5 n ALA 26 Cb 0.60 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -4.99 0.00 -0.24 0.00 2.13 -1.26 0.97 120.64 117.24 1wh5 n GLU 27 Ca 0.23 0.42 0.03 0.00 0.66 0.00 0.00 57.16 58.49 1wh5 n GLU 27 Cb 0.75 -1.40 0.13 0.00 0.27 0.00 0.00 31.44 31.19 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 0.43 5.31 1.08 -1.16 1.20 115.11 122.07 1wh5 h GLN 28 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.18 1wh5 h GLN 28 Cb 0.00 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 1wh5 h GLN 28 CO 0.00 0.07 -0.30 0.87 -0.95 0.00 0.00 178.83 178.51 1wh5 h LYS 29 N 0.10 -0.68 -0.99 1.46 1.57 0.12 -0.13 116.57 118.03 1wh5 h LYS 29 Ca 0.37 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.39 1wh5 h LYS 29 Cb 0.63 0.15 -0.11 0.00 0.08 0.00 0.00 32.23 32.99 1wh5 h LYS 29 CO -0.62 -0.45 0.59 0.93 -0.57 0.00 0.00 179.45 179.34 1wh5 h GLU 30 N -0.70 0.71 -0.52 3.15 5.08 0.15 0.28 114.58 122.72 1wh5 h GLU 30 Ca -0.06 -0.04 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1wh5 h GLU 30 Cb 0.57 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1wh5 h GLU 30 CO 0.04 0.47 0.23 0.00 -1.00 0.00 0.00 179.01 178.74 1wh5 h ARG 31 N 0.73 0.43 -0.12 2.33 2.47 0.19 0.23 114.38 120.64 1wh5 h ARG 31 Ca 0.58 -0.03 -0.06 0.00 -1.26 0.00 0.00 59.98 59.22 1wh5 h ARG 31 Cb 0.92 -0.10 -0.00 0.00 -1.65 0.00 0.00 29.97 29.15 1wh5 h ARG 31 CO -0.40 0.28 -0.16 0.52 0.56 0.00 0.00 179.97 180.78 1wh5 h MET 32 N 0.44 0.31 -0.71 0.04 2.86 0.11 -1.45 114.93 116.53 1wh5 h MET 32 Ca 0.24 -0.18 0.11 0.00 -2.06 0.00 0.00 59.70 57.82 1wh5 h MET 32 Cb 0.21 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.81 1wh5 h MET 32 CO -0.21 0.74 0.31 -0.07 1.06 0.00 0.00 176.91 178.74 1wh5 h LEU 33 N -0.10 0.35 -1.01 1.22 3.38 -0.20 1.66 115.31 120.60 1wh5 h LEU 33 Ca 0.01 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 1wh5 h LEU 33 Cb 0.71 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1wh5 h LEU 33 CO 0.04 0.18 -0.25 0.00 0.09 0.00 0.00 178.44 178.49 1wh5 h ALA 34 N 1.47 1.17 0.03 1.53 0.00 -0.52 -0.36 119.26 122.57 1wh5 h ALA 34 Ca 0.36 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1wh5 h ALA 34 Cb 0.47 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1wh5 h ALA 34 CO -0.33 0.53 -0.01 1.25 0.00 0.00 0.00 179.25 180.69 1wh5 h LEU 35 N 0.36 -0.03 -0.79 0.00 5.85 0.60 -1.57 115.31 119.73 1wh5 h LEU 35 Ca 0.05 -0.55 0.10 0.00 0.84 0.00 0.00 57.88 58.33 1wh5 h LEU 35 Cb 0.64 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1wh5 h LEU 35 CO 0.05 0.54 0.43 0.00 -0.34 0.00 0.00 178.44 179.12 1wh5 h ALA 36 N 0.32 1.12 0.00 1.25 0.00 0.24 1.29 119.26 123.48 1wh5 h ALA 36 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wh5 h ALA 36 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1wh5 h ALA 36 CO 0.01 0.04 0.00 0.39 0.00 0.00 0.00 179.25 179.68 1wh5 n GLU 37 N -4.79 0.14 -0.13 0.00 1.02 -0.16 0.19 120.64 116.91 1wh5 n GLU 37 Ca 0.13 0.11 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 1wh5 n GLU 37 Cb 0.29 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 1wh5 n GLU 37 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1wh5 n ARG 38 N -1.40 0.59 0.04 3.49 0.63 0.25 -4.55 116.66 115.70 1wh5 n ARG 38 Ca 0.07 0.31 -0.12 0.00 -0.92 0.00 0.00 57.85 57.20 1wh5 n ARG 38 Cb 0.21 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.45 1wh5 n ARG 38 CO 0.00 0.00 0.00 -0.84 -2.51 0.00 0.00 177.63 174.28 1wh5 h ILE 39 N -0.97 1.22 0.00 5.15 3.07 0.12 -3.48 117.51 122.62 1wh5 h ILE 39 Ca -0.64 -2.94 0.00 0.00 1.55 0.00 0.00 64.86 62.83 1wh5 h ILE 39 Cb 1.58 2.68 0.00 0.00 -0.27 0.00 0.00 36.82 40.81 1wh5 h ILE 39 CO -0.38 0.77 0.00 0.61 -1.05 0.00 0.00 178.15 178.10 1wh5 n GLY 40 N 1.55 1.59 2.36 0.16 0.00 0.51 -4.36 105.19 107.01 1wh5 n GLY 40 Ca -0.12 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.91 0.00 -4.33 1.61 7.02 0.17 -4.94 117.44 116.06 1wh5 n TRP 41 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 1wh5 n TRP 41 Cb 0.00 -1.78 -0.12 0.00 -2.42 0.00 0.00 31.31 26.99 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 -2.44 1.24 0.06 -0.99 3.52 -1.26 -4.90 118.95 114.17 1wh5 s ARG 42 Ca 0.00 -1.27 0.09 0.00 -0.13 0.00 0.00 55.73 54.42 1wh5 s ARG 42 Cb 0.00 -1.54 -0.03 0.00 -1.56 0.00 0.00 34.95 31.82 1wh5 s ARG 42 CO 0.00 0.35 -0.23 0.42 -0.81 0.00 0.00 175.30 175.03 1wh5 s ILE 43 N -1.30 2.41 0.29 4.11 1.01 -1.26 -4.81 121.20 121.65 1wh5 s ILE 43 Ca 0.11 -1.37 -0.17 0.00 0.00 0.00 0.00 60.65 59.21 1wh5 s ILE 43 Cb -0.09 -1.99 0.02 0.00 0.01 0.00 0.00 42.46 40.40 1wh5 s ILE 43 CO 0.05 0.31 0.66 -1.10 0.00 0.00 0.00 174.94 174.86 1wh5 s GLN 44 N -1.46 1.82 0.34 2.79 -0.21 -1.26 -4.98 119.66 116.70 1wh5 s GLN 44 Ca 0.13 -1.18 0.24 0.00 0.02 0.00 0.00 55.36 54.58 1wh5 s GLN 44 Cb -0.10 0.57 1.22 0.00 1.00 0.00 0.00 33.01 35.70 1wh5 s GLN 44 CO 0.04 -0.82 1.74 -0.09 -2.12 0.00 0.00 175.29 174.05 1wh5 h ARG 45 N 2.07 0.00 0.10 2.91 1.12 -2.00 0.27 114.38 118.85 1wh5 h ARG 45 Ca -0.24 0.00 -0.33 0.00 -1.11 0.00 0.00 59.98 58.31 1wh5 h ARG 45 Cb 1.25 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.19 1wh5 h ARG 45 CO 0.30 0.00 -1.75 1.96 -3.11 0.00 0.00 179.97 177.37 1wh5 h GLN 46 N 0.00 0.22 0.00 0.20 4.20 -2.02 -3.33 115.11 114.38 1wh5 h GLN 46 Ca 0.00 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 1wh5 h GLN 46 Cb 0.13 0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 1wh5 h GLN 46 CO 0.00 1.04 -0.18 -0.44 -0.67 0.00 0.00 178.83 178.59 1wh5 h ASP 47 N 0.06 0.00 -0.83 1.46 3.32 -1.62 -3.35 116.42 115.46 1wh5 h ASP 47 Ca -0.32 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.80 1wh5 h ASP 47 Cb 2.03 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 41.48 1wh5 h ASP 47 CO 0.12 0.02 -0.49 -0.67 -1.72 0.00 0.00 179.24 176.50 1wh5 n ASP 48 N -3.04 -0.88 -0.32 6.45 2.03 0.83 0.20 116.55 121.82 1wh5 n ASP 48 Ca 0.03 1.60 0.20 0.00 0.52 0.00 0.00 54.79 57.14 1wh5 n ASP 48 Cb 0.54 -0.25 0.40 0.00 -0.72 0.00 0.00 41.12 41.09 1wh5 n ASP 48 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1wh5 h GLU 49 N 0.00 0.16 -0.03 -0.67 4.39 -1.79 1.78 114.58 118.42 1wh5 h GLU 49 Ca 0.13 -0.01 -0.24 0.00 0.34 0.00 0.00 59.36 59.58 1wh5 h GLU 49 Cb 0.34 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 1wh5 h GLU 49 CO -0.78 0.10 -0.95 0.28 -1.16 0.00 0.00 179.01 176.51 1wh5 h VAL 50 N 0.16 1.33 0.62 3.13 2.07 0.16 0.04 116.25 123.76 1wh5 h VAL 50 Ca 0.67 -2.26 -0.03 0.00 0.82 0.00 0.00 66.70 65.90 1wh5 h VAL 50 Cb 1.53 2.31 0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1wh5 h VAL 50 CO -0.71 0.69 -0.30 0.40 0.02 0.00 0.00 177.57 177.67 1wh5 h ILE 51 N 0.36 0.32 -0.13 4.57 1.08 1.11 1.47 117.51 126.28 1wh5 h ILE 51 Ca -0.09 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.13 1wh5 h ILE 51 Cb 1.58 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 1wh5 h ILE 51 CO 0.18 0.03 -0.04 1.56 -0.69 0.00 0.00 178.15 179.19 1wh5 h GLN 52 N -0.99 0.19 -0.02 2.37 4.20 0.20 -2.20 115.11 118.87 1wh5 h GLN 52 Ca -0.08 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.57 1wh5 h GLN 52 Cb 0.68 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1wh5 h GLN 52 CO 0.14 0.25 -0.10 -0.09 -0.67 0.00 0.00 178.83 178.36 1wh5 h ARG 53 N 0.19 0.10 -0.98 1.46 9.65 -0.72 -3.22 114.38 120.86 1wh5 h ARG 53 Ca 0.04 -0.09 0.19 0.00 -1.10 0.00 0.00 59.98 59.03 1wh5 h ARG 53 Cb 0.20 0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.71 1wh5 h ARG 53 CO 0.01 0.77 0.61 0.35 2.80 0.00 0.00 179.97 184.51 1wh5 h PHE 54 N -0.54 0.90 0.00 2.20 3.04 0.24 1.48 116.94 124.27 1wh5 h PHE 54 Ca -0.01 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1wh5 h PHE 54 Cb 0.79 -0.27 0.00 0.00 2.56 0.00 0.00 35.95 39.03 1wh5 h PHE 54 CO 0.16 0.22 0.00 0.00 -2.02 0.00 0.00 178.31 176.67 1wh5 h GLN 56 N 0.00 0.03 0.00 0.00 -0.00 0.20 0.05 115.11 115.39 1wh5 h GLN 56 Ca 0.00 -0.05 -0.13 0.00 -0.00 0.00 0.00 58.65 58.47 1wh5 h GLN 56 Cb 0.12 0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 27.59 1wh5 h GLN 56 CO 0.00 0.74 -1.16 1.05 -0.00 0.00 0.00 178.83 179.46 1wh5 h GLU 57 N 0.01 0.00 0.00 0.06 4.11 -0.41 -3.34 114.58 115.01 1wh5 h GLU 57 Ca -0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1wh5 h GLU 57 Cb 1.93 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1wh5 h GLU 57 CO 0.10 0.28 0.00 0.25 0.07 0.00 0.00 179.01 179.72 1wh5 n THR 58 N -2.92 0.00 0.00 -1.06 -2.24 0.18 -4.74 114.28 103.50 1wh5 n THR 58 Ca -0.06 0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 1wh5 n THR 58 Cb 0.77 -1.12 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 2.79 0.34 3.77 3.38 0.00 0.00 -3.70 105.19 111.77 1wh5 n GLY 59 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.24 3.53 0.24 1.61 1.01 -1.26 -4.19 120.40 120.10 1wh5 s VAL 60 Ca 0.00 1.32 -0.30 0.00 0.00 0.00 0.00 61.98 63.01 1wh5 s VAL 60 Cb 0.00 -3.76 -0.09 0.00 0.00 0.00 0.00 36.38 32.53 1wh5 s VAL 60 CO 0.00 0.15 1.09 -2.16 0.00 0.00 0.00 175.10 174.19 1wh5 s PRO 61 N -2.07 4.63 0.21 2.72 0.04 -1.26 -4.45 135.00 134.83 1wh5 s PRO 61 Ca 0.53 1.76 -0.10 0.00 0.04 0.00 0.00 61.00 63.22 1wh5 s PRO 61 Cb -0.27 -3.23 0.30 0.00 0.04 0.00 0.00 34.50 31.34 1wh5 s PRO 61 CO 0.35 0.18 1.67 -0.09 0.04 0.00 0.00 177.00 179.14 1wh5 h ARG 62 N 4.34 0.13 -0.48 4.56 2.43 -1.94 0.81 114.38 124.22 1wh5 h ARG 62 Ca -0.46 -0.01 0.14 0.00 -0.81 0.00 0.00 59.98 58.84 1wh5 h ARG 62 Cb 1.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.71 1wh5 h ARG 62 CO 0.69 0.09 0.40 0.37 -1.51 0.00 0.00 179.97 180.01 1wh5 h GLN 63 N 0.14 0.00 0.01 0.20 4.15 -1.93 0.16 115.11 117.83 1wh5 h GLN 63 Ca 0.32 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.65 1wh5 h GLN 63 Cb 0.52 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 1wh5 h GLN 63 CO -0.51 0.00 -0.48 0.28 -1.93 0.00 0.00 178.83 176.18 1wh5 h VAL 64 N 0.00 1.48 -0.50 2.39 2.07 0.07 -3.05 116.25 118.71 1wh5 h VAL 64 Ca 0.23 -2.31 0.15 0.00 0.82 0.00 0.00 66.70 65.59 1wh5 h VAL 64 Cb 1.03 3.00 -0.02 0.00 -1.52 0.00 0.00 31.29 33.78 1wh5 h VAL 64 CO -0.00 0.53 0.44 0.25 0.02 0.00 0.00 177.57 178.80 1wh5 h LEU 65 N -0.94 0.00 0.00 2.57 7.12 0.79 1.23 115.31 126.07 1wh5 h LEU 65 Ca -0.13 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.88 1wh5 h LEU 65 Cb 1.15 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.28 1wh5 h LEU 65 CO -0.06 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.42 1wh5 n LYS 66 N -3.99 0.00 -0.27 1.25 4.81 0.43 -3.06 118.16 117.33 1wh5 n LYS 66 Ca 0.09 0.38 0.07 0.00 -0.87 0.00 0.00 58.31 57.98 1wh5 n LYS 66 Cb 0.65 -1.08 0.21 0.00 0.02 0.00 0.00 35.03 34.83 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 0.64 -0.77 3.15 -1.51 -1.36 -1.33 116.25 115.08 1wh5 h VAL 67 Ca 0.00 -0.16 0.07 0.00 -1.23 0.00 0.00 66.70 65.38 1wh5 h VAL 67 Cb 0.00 0.13 -0.09 0.00 -2.13 0.00 0.00 31.29 29.20 1wh5 h VAL 67 CO 0.00 0.09 -0.45 1.87 -1.23 0.00 0.00 177.57 177.84 1wh5 n TRP 68 N -4.98 -0.34 -0.26 5.19 -0.00 0.42 0.25 117.44 117.72 1wh5 n TRP 68 Ca 0.16 0.96 0.05 0.00 -0.00 0.00 0.00 57.50 58.67 1wh5 n TRP 68 Cb 0.45 -0.55 0.16 0.00 -0.00 0.00 0.00 31.31 31.37 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 -0.33 -1.40 5.87 3.38 -1.16 1.83 115.31 123.49 1wh5 h LEU 69 Ca 0.12 0.20 -0.06 0.00 0.09 0.00 0.00 57.88 58.23 1wh5 h LEU 69 Cb 0.31 0.34 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1wh5 h LEU 69 CO -0.72 -0.18 -0.30 -0.74 0.09 0.00 0.00 178.44 176.59 1wh5 h HIS 70 N 0.11 0.00 0.00 1.13 2.76 0.22 1.21 115.15 120.58 1wh5 h HIS 70 Ca 0.42 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.59 1wh5 h HIS 70 Cb 0.74 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.70 1wh5 h HIS 70 CO -0.42 0.30 -0.09 -0.91 -1.30 0.00 0.00 177.93 175.51 1wh5 h ASN 71 N 0.00 0.00 0.00 3.26 2.35 1.50 -3.31 115.58 119.37 1wh5 h ASN 71 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 1wh5 h ASN 71 Cb 0.57 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.94 1wh5 h ASN 71 CO 0.04 0.01 0.00 0.59 -1.65 0.00 0.00 177.43 176.42 1wh5 n ASN 72 N -2.30 0.00 -4.68 5.81 3.02 0.40 -4.62 115.26 112.88 1wh5 n ASN 72 Ca 0.05 0.00 -0.45 0.00 -0.03 0.00 0.00 54.58 54.16 1wh5 n ASN 72 Cb 0.44 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 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 2.21 0.00 3.52 2.85 0.40 -3.34 118.16 121.56 1wh5 n LYS 73 Ca 0.00 0.79 0.00 0.00 -1.05 0.00 0.00 58.31 58.05 1wh5 n LYS 73 Cb 0.00 -2.51 0.00 0.00 -0.65 0.00 0.00 35.03 31.87 1wh5 n LYS 73 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1wh5 n HIS 74 N 2.51 0.00 -0.48 5.58 -0.00 -1.26 -4.62 115.22 116.96 1wh5 n HIS 74 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 1wh5 n HIS 74 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.31 1wh5 n HIS 74 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1wh5 n SER 75 N 1.75 -3.16 -4.78 0.26 2.88 -1.21 -4.94 113.62 104.42 1wh5 n SER 75 Ca 0.00 0.41 -0.38 0.00 -1.33 0.00 0.00 58.87 57.57 1wh5 n SER 75 Cb 0.00 -0.76 -0.06 0.00 -0.75 0.00 0.00 64.21 62.64 1wh5 n SER 75 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1wh5 s GLY 76 N -2.66 2.87 0.11 0.46 0.00 -1.26 -5.02 107.32 101.81 1wh5 s GLY 76 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.87 1wh5 s GLY 76 CO 0.00 0.92 1.14 2.56 0.00 0.00 0.00 173.10 177.73 1wh5 s PRO 77 N -1.63 4.50 0.03 2.90 0.04 -1.26 -4.93 135.00 134.65 1wh5 s PRO 77 Ca 0.44 1.73 -0.04 0.00 0.04 0.00 0.00 61.00 63.16 1wh5 s PRO 77 Cb -0.21 -3.32 -0.01 0.00 0.04 0.00 0.00 34.50 30.99 1wh5 s PRO 77 CO 0.26 -0.11 -0.08 -1.13 0.04 0.00 0.00 177.00 175.98 1wh5 n SER 78 N 3.26 1.24 -4.39 6.66 3.41 -1.26 -5.07 113.62 117.47 1wh5 n SER 78 Ca 0.06 0.17 -0.29 0.00 -0.26 0.00 0.00 58.87 58.55 1wh5 n SER 78 Cb 0.47 -0.42 0.16 0.00 -0.26 0.00 0.00 64.21 64.16 1wh5 n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1wh5 s SER 79 N -5.90 3.18 0.00 4.04 0.01 -1.26 -5.37 113.70 108.40 1wh5 s SER 79 Ca -0.07 0.58 0.00 0.00 1.31 0.00 0.00 55.95 57.77 1wh5 s SER 79 Cb 0.01 -0.86 0.00 0.00 0.21 0.00 0.00 66.02 65.38 1wh5 s SER 79 CO 0.10 -2.72 0.00 0.61 0.41 0.00 0.00 173.24 171.64