#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 -0.25 0.56 1.61 1.04 -1.26 -5.15 113.70 110.24 1wh5 s SER 2 Ca 0.00 -0.61 -0.19 0.00 0.48 0.00 0.00 55.95 55.63 1wh5 s SER 2 Cb 0.00 0.68 -0.05 0.00 0.10 0.00 0.00 66.02 66.75 1wh5 s SER 2 CO 0.00 -1.26 1.17 -0.44 0.98 0.00 0.00 173.24 173.69 1wh5 s SER 3 N -2.92 5.53 0.00 7.02 0.01 -1.26 -4.97 113.70 117.11 1wh5 s SER 3 Ca 0.12 2.29 0.00 0.00 1.31 0.00 0.00 55.95 59.67 1wh5 s SER 3 Cb -0.04 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.60 1wh5 s SER 3 CO 0.05 -1.36 0.00 0.61 0.41 0.00 0.00 173.24 172.95 1wh5 n GLY 4 N 0.34 2.91 3.05 3.44 0.00 -1.26 -5.16 105.19 108.51 1wh5 n GLY 4 Ca 0.12 0.07 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 2.00 0.06 -0.08 1.61 0.15 -1.26 -5.14 113.70 111.04 1wh5 s SER 5 Ca 0.00 0.61 -0.14 0.00 0.70 0.00 0.00 55.95 57.13 1wh5 s SER 5 Cb 0.00 0.65 -0.05 0.00 -1.71 0.00 0.00 66.02 64.91 1wh5 s SER 5 CO 0.00 -0.21 0.34 -0.94 1.20 0.00 0.00 173.24 173.63 1wh5 s SER 6 N 1.99 6.61 0.30 5.45 1.04 -1.26 -5.07 113.70 122.77 1wh5 s SER 6 Ca -0.03 0.73 -0.10 0.00 0.48 0.00 0.00 55.95 57.03 1wh5 s SER 6 Cb -0.11 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.81 1wh5 s SER 6 CO -0.09 0.23 0.53 -0.83 0.98 0.00 0.00 173.24 174.07 1wh5 s GLY 7 N -0.41 0.83 0.17 7.32 0.00 -1.26 -5.18 107.32 108.79 1wh5 s GLY 7 Ca 0.20 -1.07 0.06 0.00 0.00 0.00 0.00 44.72 43.91 1wh5 s GLY 7 CO 0.09 -0.69 -0.12 -0.45 0.00 0.00 0.00 173.10 171.92 1wh5 s SER 8 N -3.10 2.14 -0.35 1.64 0.15 -1.26 -5.12 113.70 107.80 1wh5 s SER 8 Ca 0.24 -1.02 0.06 0.00 0.70 0.00 0.00 55.95 55.93 1wh5 s SER 8 Cb -0.01 -0.07 0.18 0.00 -1.71 0.00 0.00 66.02 64.41 1wh5 s SER 8 CO 0.13 -0.26 0.57 -0.44 1.20 0.00 0.00 173.24 174.44 1wh5 s SER 9 N -3.23 -1.15 -0.30 5.45 0.01 -1.26 -5.12 113.70 108.10 1wh5 s SER 9 Ca 0.19 -0.42 -0.14 0.00 1.31 0.00 0.00 55.95 56.89 1wh5 s SER 9 Cb 0.01 1.79 0.17 0.00 0.21 0.00 0.00 66.02 68.20 1wh5 s SER 9 CO 0.03 -0.25 0.99 0.00 0.41 0.00 0.00 173.24 174.42 1wh5 s ALA 10 N 2.28 -2.83 -0.02 1.44 0.00 -1.26 -5.16 121.76 116.20 1wh5 s ALA 10 Ca 0.13 1.92 -0.00 0.00 0.00 0.00 0.00 51.96 54.01 1wh5 s ALA 10 Cb -0.08 -2.15 0.03 0.00 0.00 0.00 0.00 23.12 20.92 1wh5 s ALA 10 CO -0.17 -1.07 0.04 -1.21 0.00 0.00 0.00 175.76 173.36 1wh5 s GLU 11 N 2.55 -0.02 -0.02 0.00 2.02 -1.26 -5.02 118.70 116.96 1wh5 s GLU 11 Ca -0.01 0.18 -0.02 0.00 0.02 0.00 0.00 54.97 55.14 1wh5 s GLU 11 Cb -0.07 -0.20 0.01 0.00 0.10 0.00 0.00 34.13 33.97 1wh5 s GLU 11 CO -0.16 -0.14 0.04 0.00 0.02 0.00 0.00 175.26 175.02 1wh5 n ALA 12 N 4.01 -2.41 -1.98 5.21 0.00 -1.26 -4.81 120.51 119.27 1wh5 n ALA 12 Ca -0.25 0.77 -0.43 0.00 0.00 0.00 0.00 53.44 53.53 1wh5 n ALA 12 Cb 0.52 -1.88 -0.03 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.54 1.26 0.70 0.00 0.00 -1.26 -4.98 107.32 102.49 1wh5 s GLY 13 Ca -0.05 0.73 -0.11 0.00 0.00 0.00 0.00 44.72 45.29 1wh5 s GLY 13 CO 0.13 3.15 1.07 -0.32 0.00 0.00 0.00 173.10 177.14 1wh5 s GLY 14 N 4.45 1.65 -0.21 0.20 0.00 -1.26 -5.07 107.32 107.07 1wh5 s GLY 14 Ca 0.77 -0.14 -0.04 0.00 0.00 0.00 0.00 44.72 45.31 1wh5 s GLY 14 CO 0.31 0.20 0.21 -0.32 0.00 0.00 0.00 173.10 173.50 1wh5 s GLY 15 N -4.08 0.04 -0.31 0.20 0.00 -1.26 -5.11 107.32 96.79 1wh5 s GLY 15 Ca 0.58 0.08 -0.06 0.00 0.00 0.00 0.00 44.72 45.32 1wh5 s GLY 15 CO 0.54 2.17 0.09 -0.42 0.00 0.00 0.00 173.10 175.47 1wh5 s ILE 16 N 2.30 3.85 0.25 0.90 1.09 -1.26 -5.06 121.20 123.27 1wh5 s ILE 16 Ca 0.07 -0.88 -0.29 0.00 -1.10 0.00 0.00 60.65 58.44 1wh5 s ILE 16 Cb -0.16 -3.06 -0.15 0.00 -1.06 0.00 0.00 42.46 38.03 1wh5 s ILE 16 CO -0.15 -0.02 1.00 -1.14 -0.10 0.00 0.00 174.94 174.53 1wh5 n ARG 17 N 4.84 1.15 -4.20 2.79 3.00 -1.26 -4.98 116.66 117.99 1wh5 n ARG 17 Ca -0.14 0.41 -0.12 0.00 -0.00 0.00 0.00 57.85 58.00 1wh5 n ARG 17 Cb 0.47 -1.77 -0.10 0.00 0.00 0.00 0.00 32.46 31.05 1wh5 n ARG 17 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1wh5 s LYS 18 N -1.17 1.08 -0.94 -0.14 -0.14 -1.26 -5.04 119.74 112.13 1wh5 s LYS 18 Ca 0.63 -1.53 -0.22 0.00 -1.36 0.00 0.00 55.97 53.49 1wh5 s LYS 18 Cb -0.77 0.03 -0.25 0.00 -1.68 0.00 0.00 37.83 35.17 1wh5 s LYS 18 CO 0.57 -0.24 2.44 0.54 -0.76 0.00 0.00 175.35 177.90 1wh5 n ARG 19 N -0.21 0.14 -2.48 1.68 1.74 -1.26 -4.75 116.66 111.52 1wh5 n ARG 19 Ca -0.04 -0.07 -0.43 0.00 -0.77 0.00 0.00 57.85 56.54 1wh5 n ARG 19 Cb 0.64 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 9.73 4.42 -2.81 -1.55 -0.00 -1.26 -4.64 115.22 119.11 1wh5 n HIS 20 Ca 0.63 -2.96 -0.08 0.00 0.46 0.00 0.00 57.72 55.76 1wh5 n HIS 20 Cb 0.15 -2.50 0.02 0.00 -0.12 0.00 0.00 29.99 27.54 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 7.19 0.67 -4.25 1.57 0.63 -1.26 -5.15 116.66 116.07 1wh5 n ARG 21 Ca 0.47 -1.98 -0.25 0.00 -0.92 0.00 0.00 57.85 55.17 1wh5 n ARG 21 Cb 0.44 -1.46 -0.07 0.00 0.45 0.00 0.00 32.46 31.81 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 0.61 3.61 -0.47 5.15 -4.23 -1.26 -5.08 115.64 113.97 1wh5 s THR 22 Ca 0.32 -1.66 0.07 0.00 -1.18 0.00 0.00 61.69 59.24 1wh5 s THR 22 Cb 0.14 -2.87 0.24 0.00 1.34 0.00 0.00 72.50 71.35 1wh5 s THR 22 CO -0.17 -0.24 0.57 1.17 -0.54 0.00 0.00 174.62 175.41 1wh5 n LYS 23 N -0.52 1.20 -2.29 3.99 3.00 -1.26 -5.08 118.16 117.19 1wh5 n LYS 23 Ca -0.08 -3.64 -0.43 0.00 -0.00 0.00 0.00 58.31 54.16 1wh5 n LYS 23 Cb 0.57 -1.55 -0.02 0.00 0.00 0.00 0.00 35.03 34.03 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 -1.47 2.48 0.67 5.64 0.08 -1.26 -5.01 117.98 119.11 1wh5 s PHE 24 Ca 0.36 0.74 -0.05 0.00 0.12 0.00 0.00 56.93 58.10 1wh5 s PHE 24 Cb 0.15 -3.86 0.05 0.00 -0.57 0.00 0.00 43.02 38.80 1wh5 s PHE 24 CO -0.09 -2.25 0.97 -0.08 -0.10 0.00 0.00 175.22 173.67 1wh5 s THR 25 N 4.46 2.50 0.34 0.64 -1.32 -1.26 -4.54 115.64 116.46 1wh5 s THR 25 Ca 0.62 -0.29 0.17 0.00 -1.21 0.00 0.00 61.69 60.99 1wh5 s THR 25 Cb -0.21 -3.06 0.34 0.00 -1.51 0.00 0.00 72.50 68.06 1wh5 s THR 25 CO 0.24 -0.06 1.49 0.00 -2.21 0.00 0.00 174.62 174.08 1wh5 n ALA 26 N -2.80 0.91 0.07 11.08 0.00 -1.26 0.13 120.51 128.63 1wh5 n ALA 26 Ca 0.08 0.97 -0.03 0.00 0.00 0.00 0.00 53.44 54.46 1wh5 n ALA 26 Cb 0.60 -0.93 -0.01 0.00 0.00 0.00 0.00 19.45 19.10 1wh5 n ALA 26 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1wh5 h GLU 27 N 0.00 -0.17 -0.68 0.00 4.81 -1.97 0.47 114.58 117.04 1wh5 h GLU 27 Ca 0.77 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 60.15 1wh5 h GLU 27 Cb 2.00 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 31.32 1wh5 h GLU 27 CO -0.75 -0.11 0.14 1.96 -0.73 0.00 0.00 179.01 179.52 1wh5 h GLN 28 N -0.19 0.25 0.45 1.92 1.08 -1.16 1.66 115.11 119.12 1wh5 h GLN 28 Ca -0.02 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1wh5 h GLN 28 Cb 0.13 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.50 1wh5 h GLN 28 CO 0.03 0.16 -0.31 -0.22 -0.95 0.00 0.00 178.83 177.54 1wh5 h LYS 29 N 0.25 -0.70 -0.88 1.46 3.64 0.10 0.13 116.57 120.57 1wh5 h LYS 29 Ca 0.37 0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.91 1wh5 h LYS 29 Cb 0.60 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.49 1wh5 h LYS 29 CO -0.47 -0.47 0.51 0.93 -2.27 0.00 0.00 179.45 177.68 1wh5 h GLU 30 N -0.73 0.80 -0.27 1.90 5.08 0.58 0.25 114.58 122.19 1wh5 h GLU 30 Ca -0.06 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.31 1wh5 h GLU 30 Cb 0.59 -0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 1wh5 h GLU 30 CO 0.04 0.53 -0.10 0.00 -1.00 0.00 0.00 179.01 178.48 1wh5 h ARG 31 N 0.82 -0.05 -0.41 2.33 2.47 0.28 0.46 114.38 120.28 1wh5 h ARG 31 Ca 0.44 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 59.07 1wh5 h ARG 31 Cb 0.46 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 1wh5 h ARG 31 CO -0.27 -0.03 -0.10 0.52 0.56 0.00 0.00 179.97 180.65 1wh5 h MET 32 N -0.05 0.79 -0.54 0.04 2.86 0.34 -0.94 114.93 117.44 1wh5 h MET 32 Ca 0.14 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1wh5 h MET 32 Cb 0.25 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.82 1wh5 h MET 32 CO -0.30 0.92 0.28 -0.07 1.06 0.00 0.00 176.91 178.79 1wh5 h LEU 33 N 0.61 0.41 -1.17 1.22 3.38 0.11 1.38 115.31 121.25 1wh5 h LEU 33 Ca 0.10 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1wh5 h LEU 33 Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1wh5 h LEU 33 CO 0.04 0.28 -0.23 0.00 0.09 0.00 0.00 178.44 178.62 1wh5 h ALA 34 N 1.28 1.31 0.06 1.53 0.00 0.05 0.07 119.26 123.55 1wh5 h ALA 34 Ca 0.24 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wh5 h ALA 34 Cb 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wh5 h ALA 34 CO -0.16 0.47 -0.03 1.25 0.00 0.00 0.00 179.25 180.78 1wh5 h LEU 35 N 0.27 -0.06 -0.72 0.00 5.85 0.40 -1.67 115.31 119.38 1wh5 h LEU 35 Ca 0.05 -0.53 0.09 0.00 0.84 0.00 0.00 57.88 58.33 1wh5 h LEU 35 Cb 0.55 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1wh5 h LEU 35 CO 0.04 0.53 0.36 0.00 -0.34 0.00 0.00 178.44 179.03 1wh5 h ALA 36 N 0.15 0.99 0.00 1.25 0.00 0.19 1.15 119.26 123.00 1wh5 h ALA 36 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wh5 h ALA 36 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1wh5 h ALA 36 CO 0.01 -0.05 0.00 0.39 0.00 0.00 0.00 179.25 179.61 1wh5 n GLU 37 N -4.86 0.15 -0.13 0.00 1.02 -0.00 0.20 120.64 117.01 1wh5 n GLU 37 Ca 0.11 0.12 -0.27 0.00 -0.02 0.00 0.00 57.16 57.11 1wh5 n GLU 37 Cb 0.28 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.10 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 -1.39 0.58 0.05 3.49 0.63 0.25 -4.55 116.66 115.72 1wh5 n ARG 38 Ca 0.07 0.33 -0.12 0.00 -0.92 0.00 0.00 57.85 57.22 1wh5 n ARG 38 Cb 0.20 -1.55 -0.13 0.00 0.45 0.00 0.00 32.46 31.42 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 -1.00 1.29 0.00 5.15 3.07 0.97 -3.48 117.51 123.51 1wh5 h ILE 39 Ca -0.59 -2.99 0.00 0.00 1.55 0.00 0.00 64.86 62.83 1wh5 h ILE 39 Cb 1.51 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 40.79 1wh5 h ILE 39 CO -0.36 0.80 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 1wh5 n GLY 40 N 1.54 1.78 2.45 0.16 0.00 0.53 -4.39 105.19 107.26 1wh5 n GLY 40 Ca -0.11 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.46 -0.55 -4.20 1.61 7.02 0.23 -4.94 117.44 116.15 1wh5 n TRP 41 Ca 0.00 0.00 -0.18 0.00 -1.02 0.00 0.00 57.50 56.30 1wh5 n TRP 41 Cb 0.00 -3.53 -0.12 0.00 -2.42 0.00 0.00 31.31 25.25 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 -4.31 0.89 -0.02 -0.99 3.52 -1.26 -4.92 118.95 111.86 1wh5 s ARG 42 Ca 0.00 -1.07 0.07 0.00 -0.13 0.00 0.00 55.73 54.60 1wh5 s ARG 42 Cb 0.00 -0.84 -0.02 0.00 -1.56 0.00 0.00 34.95 32.53 1wh5 s ARG 42 CO 0.00 0.17 -0.22 0.42 -0.81 0.00 0.00 175.30 174.86 1wh5 s ILE 43 N -1.65 2.37 0.24 4.11 1.01 -1.26 -4.81 121.20 121.21 1wh5 s ILE 43 Ca 0.02 -1.02 -0.09 0.00 0.00 0.00 0.00 60.65 59.56 1wh5 s ILE 43 Cb -0.08 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.51 1wh5 s ILE 43 CO 0.02 0.56 0.39 -1.10 0.00 0.00 0.00 174.94 174.81 1wh5 s GLN 44 N -0.71 1.47 0.01 2.79 -1.52 -1.26 -5.01 119.66 115.42 1wh5 s GLN 44 Ca 0.11 -1.36 0.12 0.00 -1.95 0.00 0.00 55.36 52.27 1wh5 s GLN 44 Cb -0.10 0.42 0.51 0.00 -0.22 0.00 0.00 33.01 33.61 1wh5 s GLN 44 CO -0.00 -0.58 1.38 2.89 -0.25 0.00 0.00 175.29 178.73 1wh5 n ARG 45 N -0.36 0.00 -0.08 2.91 1.85 -1.26 -1.44 116.66 118.29 1wh5 n ARG 45 Ca -0.01 0.31 -0.13 0.00 -1.00 0.00 0.00 57.85 57.02 1wh5 n ARG 45 Cb 0.63 -1.51 -0.07 0.00 -1.05 0.00 0.00 32.46 30.46 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.96 -0.01 0.00 0.00 177.63 179.58 1wh5 h GLN 46 N 0.00 0.00 0.00 2.89 1.08 -2.02 -3.34 115.11 113.72 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 0.20 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 1wh5 h GLN 46 CO 0.00 0.57 0.00 -0.25 -0.95 0.00 0.00 178.83 178.20 1wh5 n ASP 47 N -4.56 0.45 -0.34 1.46 8.00 -1.13 -3.05 116.55 117.39 1wh5 n ASP 47 Ca -0.17 0.63 0.15 0.00 0.71 0.00 0.00 54.79 56.10 1wh5 n ASP 47 Cb 0.44 -0.72 0.29 0.00 -0.02 0.00 0.00 41.12 41.12 1wh5 n ASP 47 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1wh5 h ASP 48 N 0.00 -0.45 -0.54 -2.24 3.58 -1.37 1.80 116.42 117.20 1wh5 h ASP 48 Ca 0.00 0.28 0.06 0.00 0.42 0.00 0.00 57.03 57.79 1wh5 h ASP 48 Cb 0.25 0.48 -0.05 0.00 1.72 0.00 0.00 39.33 41.72 1wh5 h ASP 48 CO 0.00 -0.35 0.24 -0.08 -2.88 0.00 0.00 179.24 176.17 1wh5 h GLU 49 N 0.01 0.45 -0.22 0.28 4.22 -1.79 0.84 114.58 118.38 1wh5 h GLU 49 Ca 0.60 -0.03 -0.20 0.00 0.08 0.00 0.00 59.36 59.81 1wh5 h GLU 49 Cb 1.24 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1wh5 h GLU 49 CO -0.91 0.30 -0.65 0.28 -2.18 0.00 0.00 179.01 175.85 1wh5 h VAL 50 N 0.46 1.28 0.00 0.32 2.07 0.18 -1.56 116.25 119.01 1wh5 h VAL 50 Ca 0.25 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1wh5 h VAL 50 Cb 0.22 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 1wh5 h VAL 50 CO -0.21 0.59 0.00 -0.38 0.02 0.00 0.00 177.57 177.59 1wh5 n ILE 51 N -3.97 0.00 -0.26 4.57 2.08 0.49 0.19 119.36 122.46 1wh5 n ILE 51 Ca -0.05 1.32 0.33 0.00 0.56 0.00 0.00 62.75 64.90 1wh5 n ILE 51 Cb 0.68 -2.30 0.73 0.00 -0.75 0.00 0.00 39.64 38.00 1wh5 n ILE 51 CO 0.00 0.00 0.00 1.56 0.56 0.00 0.00 176.55 178.67 1wh5 h GLN 52 N 0.00 0.00 0.07 0.38 4.20 0.55 0.17 115.11 120.48 1wh5 h GLN 52 Ca 0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1wh5 h GLN 52 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1wh5 h GLN 52 CO 0.00 0.00 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.04 1wh5 h ARG 53 N 0.00 -0.09 -0.10 1.46 9.65 -1.03 -3.22 114.38 121.05 1wh5 h ARG 53 Ca 0.52 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 59.43 1wh5 h ARG 53 Cb 2.18 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 30.78 1wh5 h ARG 53 CO -0.01 0.46 0.17 0.35 2.80 0.00 0.00 179.97 183.74 1wh5 h PHE 54 N -0.90 0.00 0.00 2.20 3.04 0.47 1.07 116.94 122.82 1wh5 h PHE 54 Ca -0.01 0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.94 1wh5 h PHE 54 Cb 0.59 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.10 1wh5 h PHE 54 CO 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.43 1wh5 n GLN 56 N -1.48 0.64 -0.06 0.00 -0.00 0.37 -1.05 117.38 115.80 1wh5 n GLN 56 Ca 0.06 -0.08 -0.07 0.00 -0.00 0.00 0.00 57.00 56.91 1wh5 n GLN 56 Cb 0.28 -1.64 -0.15 0.00 -0.00 0.00 0.00 30.24 28.74 1wh5 n GLN 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1wh5 n GLU 57 N -2.42 0.66 -0.06 2.61 0.28 -1.01 -4.44 120.64 116.27 1wh5 n GLU 57 Ca -0.03 0.10 -0.04 0.00 -0.16 0.00 0.00 57.16 57.03 1wh5 n GLU 57 Cb 0.56 -1.63 -0.12 0.00 1.43 0.00 0.00 31.44 31.68 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 -2.83 0.80 -0.99 3.84 -2.24 -0.21 -4.99 114.28 107.67 1wh5 n THR 58 Ca -0.24 -0.57 0.00 0.00 -2.27 0.00 0.00 64.05 60.97 1wh5 n THR 58 Cb 1.06 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 2.01 0.83 3.77 3.38 0.00 -0.21 -5.00 105.19 109.95 1wh5 n GLY 59 Ca -0.20 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.34 3.51 0.34 1.61 1.01 -1.24 -4.96 120.40 117.33 1wh5 s VAL 60 Ca 0.00 1.39 -0.27 0.00 0.00 0.00 0.00 61.98 63.11 1wh5 s VAL 60 Cb 0.00 -3.84 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 1wh5 s VAL 60 CO 0.00 0.24 1.07 -2.16 0.00 0.00 0.00 175.10 174.24 1wh5 s PRO 61 N -1.82 4.39 0.12 2.72 0.04 -1.26 -4.51 135.00 134.69 1wh5 s PRO 61 Ca 0.49 1.64 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 1wh5 s PRO 61 Cb -0.29 -2.85 -0.08 0.00 0.04 0.00 0.00 34.50 31.32 1wh5 s PRO 61 CO 0.37 0.03 1.58 -0.09 0.04 0.00 0.00 177.00 178.93 1wh5 h ARG 62 N 3.13 -0.54 -1.28 4.56 2.43 -1.95 0.44 114.38 121.16 1wh5 h ARG 62 Ca -0.47 0.04 0.38 0.00 -0.81 0.00 0.00 59.98 59.11 1wh5 h ARG 62 Cb 1.21 0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.79 1wh5 h ARG 62 CO 0.64 -0.36 0.86 0.37 -1.51 0.00 0.00 179.97 179.98 1wh5 h GLN 63 N -0.56 0.14 0.03 0.20 4.15 -1.99 0.53 115.11 117.61 1wh5 h GLN 63 Ca 0.05 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1wh5 h GLN 63 Cb 0.66 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.31 1wh5 h GLN 63 CO -0.36 0.09 -0.01 0.28 -1.93 0.00 0.00 178.83 176.90 1wh5 h VAL 64 N 0.15 1.41 -0.12 2.39 2.07 -1.05 -1.82 116.25 119.28 1wh5 h VAL 64 Ca 0.71 -1.80 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1wh5 h VAL 64 Cb 2.33 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 34.63 1wh5 h VAL 64 CO -0.24 0.43 0.29 0.25 0.02 0.00 0.00 177.57 178.32 1wh5 h LEU 65 N -0.88 0.00 0.00 2.57 7.12 0.37 0.97 115.31 125.47 1wh5 h LEU 65 Ca -0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1wh5 h LEU 65 Cb 0.73 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.86 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 -3.26 0.00 -0.22 1.25 4.81 0.14 -3.61 118.16 117.27 1wh5 n LYS 66 Ca 0.01 0.41 0.02 0.00 -0.87 0.00 0.00 58.31 57.88 1wh5 n LYS 66 Cb 0.38 -0.90 0.13 0.00 0.02 0.00 0.00 35.03 34.66 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 0.49 -0.61 3.15 -1.51 -1.02 -1.14 116.25 115.61 1wh5 h VAL 67 Ca 0.00 -0.05 0.05 0.00 -1.23 0.00 0.00 66.70 65.47 1wh5 h VAL 67 Cb 0.00 0.32 -0.07 0.00 -2.13 0.00 0.00 31.29 29.41 1wh5 h VAL 67 CO 0.00 0.03 -0.36 1.87 -1.23 0.00 0.00 177.57 177.88 1wh5 n TRP 68 N -5.25 -0.27 -0.31 5.19 -0.00 0.33 0.23 117.44 117.37 1wh5 n TRP 68 Ca 0.11 0.76 0.04 0.00 -0.00 0.00 0.00 57.50 58.40 1wh5 n TRP 68 Cb 0.39 -0.53 0.11 0.00 -0.00 0.00 0.00 31.31 31.28 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 -0.81 -0.53 5.87 3.38 -1.27 1.19 115.31 123.14 1wh5 h LEU 69 Ca 0.10 0.26 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 1wh5 h LEU 69 Cb 0.25 0.54 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 1wh5 h LEU 69 CO -0.57 -0.29 0.16 -0.74 0.09 0.00 0.00 178.44 177.10 1wh5 h HIS 70 N 0.00 0.85 0.00 1.13 2.76 0.21 1.29 115.15 121.40 1wh5 h HIS 70 Ca 0.42 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 1wh5 h HIS 70 Cb 0.64 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1wh5 h HIS 70 CO -0.68 0.73 0.00 0.09 -1.30 0.00 0.00 177.93 176.77 1wh5 n ASN 71 N -4.47 0.61 0.00 3.26 3.02 0.62 -3.58 115.26 114.72 1wh5 n ASN 71 Ca 0.02 0.71 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 1wh5 n ASN 71 Cb 0.20 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.55 1wh5 n ASN 71 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1wh5 n ASN 72 N -2.24 0.00 -3.63 6.41 3.02 0.33 -4.98 115.26 114.17 1wh5 n ASN 72 Ca 0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 1wh5 n ASN 72 Cb 0.14 -0.49 0.24 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.48 -3.53 -3.24 3.52 2.85 0.43 -4.33 118.16 111.39 1wh5 n LYS 73 Ca 0.00 -1.04 -0.07 0.00 -1.05 0.00 0.00 58.31 56.15 1wh5 n LYS 73 Cb 0.00 -1.81 0.01 0.00 -0.65 0.00 0.00 35.03 32.57 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 -5.20 -0.48 -1.70 5.58 -0.00 -1.26 -4.76 115.22 107.40 1wh5 n HIS 74 Ca 0.08 0.20 -0.42 0.00 -0.00 0.00 0.00 57.72 57.59 1wh5 n HIS 74 Cb 0.52 -1.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.39 1wh5 n HIS 74 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1wh5 n SER 75 N 1.03 2.64 -4.02 0.26 7.64 -1.26 -4.95 113.62 114.96 1wh5 n SER 75 Ca -0.02 1.16 -0.10 0.00 1.01 0.00 0.00 58.87 60.92 1wh5 n SER 75 Cb 0.53 -1.49 -0.11 0.00 -1.01 0.00 0.00 64.21 62.13 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 -0.42 0.36 0.58 0.23 0.00 -1.26 -5.15 107.32 101.66 1wh5 s GLY 76 Ca 0.58 -0.69 -0.16 0.00 0.00 0.00 0.00 44.72 44.45 1wh5 s GLY 76 CO 0.60 -0.76 1.05 2.56 0.00 0.00 0.00 173.10 176.55 1wh5 s PRO 77 N -1.63 3.41 0.14 2.90 0.04 -1.26 -4.72 135.00 133.87 1wh5 s PRO 77 Ca -0.12 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.09 1wh5 s PRO 77 Cb -0.09 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1wh5 s PRO 77 CO -0.01 -0.73 0.00 0.43 0.04 0.00 0.00 177.00 176.73 1wh5 n SER 78 N -1.95 -9.18 -3.50 6.66 7.64 -1.26 -4.97 113.62 107.07 1wh5 n SER 78 Ca 0.08 1.61 -0.27 0.00 1.01 0.00 0.00 58.87 61.30 1wh5 n SER 78 Cb 0.53 -5.16 -0.10 0.00 -1.01 0.00 0.00 64.21 58.47 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 1.94 1.24 0.00 6.43 7.64 -1.26 -5.26 113.62 124.35 1wh5 n SER 79 Ca 0.00 -2.83 0.00 0.00 1.01 0.00 0.00 58.87 57.05 1wh5 n SER 79 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1wh5 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64