#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 6.65 -0.40 1.61 0.01 -1.25 -4.83 113.70 115.49 1wh5 s SER 2 Ca 0.00 -3.66 -0.34 0.00 1.31 0.00 0.00 55.95 53.25 1wh5 s SER 2 Cb 0.00 -2.06 0.05 0.00 0.21 0.00 0.00 66.02 64.23 1wh5 s SER 2 CO 0.00 -0.23 0.60 -0.24 0.41 0.00 0.00 173.24 173.77 1wh5 n SER 3 N 2.51 -5.73 -3.39 2.44 2.88 -1.26 -3.39 113.62 107.67 1wh5 n SER 3 Ca 0.23 -0.06 -0.27 0.00 -1.33 0.00 0.00 58.87 57.44 1wh5 n SER 3 Cb 0.38 -1.84 0.02 0.00 -0.75 0.00 0.00 64.21 62.03 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 -0.04 -0.54 3.64 0.46 0.00 -1.26 -4.79 105.19 102.66 1wh5 n GLY 4 Ca -0.07 1.03 -0.43 0.00 0.00 0.00 0.00 46.02 46.55 1wh5 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wh5 s SER 5 N -2.12 6.44 0.07 1.61 0.01 -1.22 -4.98 113.70 113.51 1wh5 s SER 5 Ca 0.25 1.93 0.06 0.00 1.31 0.00 0.00 55.95 59.51 1wh5 s SER 5 Cb -0.04 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.63 1wh5 s SER 5 CO 0.85 -1.16 -0.16 -0.55 0.41 0.00 0.00 173.24 172.63 1wh5 s SER 6 N 4.13 1.94 0.00 2.44 0.15 -1.26 -4.84 113.70 116.26 1wh5 s SER 6 Ca 0.75 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.81 1wh5 s SER 6 Cb -0.30 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 63.92 1wh5 s SER 6 CO 0.30 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1wh5 n GLY 7 N 1.44 2.09 3.91 9.45 0.00 -1.26 -4.92 105.19 115.89 1wh5 n GLY 7 Ca -0.20 -0.34 -0.24 0.00 0.00 0.00 0.00 46.02 45.24 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 6.07 0.89 1.61 1.04 -1.26 -5.07 113.70 116.98 1wh5 s SER 8 Ca 0.00 0.03 -0.15 0.00 0.48 0.00 0.00 55.95 56.30 1wh5 s SER 8 Cb 0.00 -1.74 -0.06 0.00 0.10 0.00 0.00 66.02 64.32 1wh5 s SER 8 CO 0.00 0.01 -0.09 -1.20 0.98 0.00 0.00 173.24 172.94 1wh5 n SER 9 N -0.86 -3.61 -4.44 7.02 7.64 -1.26 -4.95 113.62 113.17 1wh5 n SER 9 Ca -0.08 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 59.85 1wh5 n SER 9 Cb 0.56 -1.01 0.16 0.00 -1.01 0.00 0.00 64.21 62.91 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wh5 s ALA 10 N -2.13 1.81 -0.21 -0.43 0.00 -1.26 -4.91 121.76 114.64 1wh5 s ALA 10 Ca 0.52 -0.81 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1wh5 s ALA 10 Cb -0.25 -2.92 0.07 0.00 0.00 0.00 0.00 23.12 20.02 1wh5 s ALA 10 CO 0.72 -2.48 0.50 -2.00 0.00 0.00 0.00 175.76 172.49 1wh5 s GLU 11 N -5.52 0.48 0.09 0.00 2.12 -1.26 -5.06 118.70 109.55 1wh5 s GLU 11 Ca 0.68 0.96 -0.35 0.00 0.36 0.00 0.00 54.97 56.62 1wh5 s GLU 11 Cb -0.10 0.08 -0.16 0.00 0.26 0.00 0.00 34.13 34.21 1wh5 s GLU 11 CO 0.53 -0.17 1.54 0.00 -0.54 0.00 0.00 175.26 176.63 1wh5 h ALA 12 N 7.21 -1.11 0.00 6.30 0.00 -1.98 -3.01 119.26 126.67 1wh5 h ALA 12 Ca -0.32 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1wh5 h ALA 12 Cb 1.19 0.77 0.00 0.00 0.00 0.00 0.00 17.79 19.74 1wh5 h ALA 12 CO 0.23 -1.16 0.00 0.41 0.00 0.00 0.00 179.25 178.73 1wh5 n GLY 13 N -1.53 1.97 0.00 0.00 0.00 -1.26 -3.13 105.19 101.24 1wh5 n GLY 13 Ca -0.11 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 0.00 3.28 0.00 -0.02 0.00 -1.26 -5.15 105.19 102.04 1wh5 n GLY 14 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.44 3.55 -0.02 0.00 -1.26 -4.97 105.19 102.05 1wh5 n GLY 15 Ca 0.00 0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 3.56 0.40 -0.61 1.01 -1.26 -4.96 121.20 119.34 1wh5 s ILE 16 Ca 0.00 0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.76 1wh5 s ILE 16 Cb 0.00 -4.41 -0.01 0.00 0.01 0.00 0.00 42.46 38.05 1wh5 s ILE 16 CO 0.00 -1.36 0.47 -0.13 0.00 0.00 0.00 174.94 173.92 1wh5 s ARG 17 N 6.34 2.78 -0.74 2.79 3.00 -1.26 -5.06 118.95 126.80 1wh5 s ARG 17 Ca 0.55 -1.30 -0.18 0.00 0.00 0.00 0.00 55.73 54.80 1wh5 s ARG 17 Cb -0.08 -2.63 0.14 0.00 0.00 0.00 0.00 34.95 32.37 1wh5 s ARG 17 CO 0.11 -0.16 0.85 0.21 0.00 0.00 0.00 175.30 176.31 1wh5 s LYS 18 N -4.22 3.33 0.69 3.54 2.47 -1.26 -5.03 119.74 119.26 1wh5 s LYS 18 Ca 0.50 -1.68 -0.17 0.00 -1.56 0.00 0.00 55.97 53.06 1wh5 s LYS 18 Cb -0.08 -4.49 -0.07 0.00 -1.46 0.00 0.00 37.83 31.74 1wh5 s LYS 18 CO 0.31 -1.57 0.34 -2.13 0.16 0.00 0.00 175.35 172.46 1wh5 n ARG 19 N 5.93 0.27 -3.01 4.03 0.63 -1.26 -4.98 116.66 118.27 1wh5 n ARG 19 Ca 0.05 0.12 -0.15 0.00 -0.92 0.00 0.00 57.85 56.95 1wh5 n ARG 19 Cb 0.45 -1.63 -0.03 0.00 0.45 0.00 0.00 32.46 31.70 1wh5 n ARG 19 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1wh5 n HIS 20 N -2.16 -2.26 -2.87 -0.14 -0.00 -1.26 -5.01 115.22 101.52 1wh5 n HIS 20 Ca 0.09 -2.41 -0.12 0.00 -0.00 0.00 0.00 57.72 55.28 1wh5 n HIS 20 Cb 0.50 0.81 0.03 0.00 -0.00 0.00 0.00 29.99 31.32 1wh5 n HIS 20 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.34 174.21 1wh5 n ARG 21 N 2.32 0.81 -4.31 1.57 3.00 -1.26 -5.14 116.66 113.65 1wh5 n ARG 21 Ca 0.20 -2.17 -0.25 0.00 -0.00 0.00 0.00 57.85 55.63 1wh5 n ARG 21 Cb 0.55 -1.36 -0.08 0.00 0.00 0.00 0.00 32.46 31.56 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 0.07 3.26 -0.43 5.15 -4.23 -1.26 -5.08 115.64 113.11 1wh5 s THR 22 Ca 0.32 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 59.04 1wh5 s THR 22 Cb 0.23 -2.69 0.25 0.00 1.34 0.00 0.00 72.50 71.63 1wh5 s THR 22 CO -0.18 -0.27 0.69 0.29 -0.54 0.00 0.00 174.62 174.61 1wh5 n LYS 23 N -0.49 0.75 -2.25 3.99 4.76 -1.26 -5.11 118.16 118.54 1wh5 n LYS 23 Ca -0.08 -2.55 -0.43 0.00 -2.87 0.00 0.00 58.31 52.38 1wh5 n LYS 23 Cb 0.58 -1.33 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 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 -0.35 2.41 0.64 2.13 0.08 -1.26 -5.01 117.98 116.63 1wh5 s PHE 24 Ca 0.34 0.69 -0.02 0.00 0.12 0.00 0.00 56.93 58.05 1wh5 s PHE 24 Cb 0.20 -3.85 0.06 0.00 -0.57 0.00 0.00 43.02 38.86 1wh5 s PHE 24 CO -0.17 -2.45 0.91 -0.08 -0.10 0.00 0.00 175.22 173.33 1wh5 s THR 25 N 4.45 2.43 0.40 0.64 -1.32 -1.26 -4.53 115.64 116.44 1wh5 s THR 25 Ca 0.64 -0.49 0.27 0.00 -1.21 0.00 0.00 61.69 60.90 1wh5 s THR 25 Cb -0.23 -2.94 0.42 0.00 -1.51 0.00 0.00 72.50 68.24 1wh5 s THR 25 CO 0.24 0.00 1.52 0.00 -2.21 0.00 0.00 174.62 174.17 1wh5 n ALA 26 N -2.66 1.18 -0.01 11.08 0.00 -1.26 0.14 120.51 128.98 1wh5 n ALA 26 Ca 0.09 0.90 0.00 0.00 0.00 0.00 0.00 53.44 54.43 1wh5 n ALA 26 Cb 0.60 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.04 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 -4.88 0.00 -0.22 0.00 2.13 -1.26 -0.73 120.64 115.68 1wh5 n GLU 27 Ca 0.38 0.50 0.03 0.00 0.66 0.00 0.00 57.16 58.73 1wh5 n GLU 27 Cb 1.40 -1.34 0.14 0.00 0.27 0.00 0.00 31.44 31.92 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 0.21 0.12 5.31 1.08 -1.27 1.50 115.11 122.06 1wh5 h GLN 28 Ca 0.00 -0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.21 1wh5 h GLN 28 Cb 0.00 -0.05 -0.04 0.00 -0.05 0.00 0.00 27.48 27.34 1wh5 h GLN 28 CO 0.00 0.14 -0.33 0.87 -0.95 0.00 0.00 178.83 178.55 1wh5 h LYS 29 N 0.21 -0.54 -0.82 1.46 1.57 0.11 0.97 116.57 119.53 1wh5 h LYS 29 Ca 0.37 0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 59.14 1wh5 h LYS 29 Cb 0.60 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.00 1wh5 h LYS 29 CO -0.50 -0.36 0.35 0.93 -0.57 0.00 0.00 179.45 179.30 1wh5 h GLU 30 N -0.56 1.21 -0.14 3.15 5.08 0.52 0.39 114.58 124.23 1wh5 h GLU 30 Ca 0.03 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1wh5 h GLU 30 Cb 0.59 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1wh5 h GLU 30 CO -0.20 0.96 0.09 0.00 -1.00 0.00 0.00 179.01 178.87 1wh5 h ARG 31 N 1.19 0.19 -0.20 2.33 2.47 0.29 0.81 114.38 121.46 1wh5 h ARG 31 Ca 0.28 -0.01 -0.05 0.00 -1.26 0.00 0.00 59.98 58.93 1wh5 h ARG 31 Cb 0.18 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 1wh5 h ARG 31 CO -0.03 0.13 -0.08 0.52 0.56 0.00 0.00 179.97 181.07 1wh5 h MET 32 N 0.19 0.40 -0.91 0.04 2.86 0.12 -0.63 114.93 117.00 1wh5 h MET 32 Ca 0.05 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1wh5 h MET 32 Cb -0.01 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 1wh5 h MET 32 CO -0.01 0.69 0.52 -0.07 1.06 0.00 0.00 176.91 179.09 1wh5 h LEU 33 N 0.10 1.12 -1.30 1.22 3.38 -0.07 1.52 115.31 121.29 1wh5 h LEU 33 Ca 0.05 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1wh5 h LEU 33 Cb 0.56 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1wh5 h LEU 33 CO 0.03 0.89 -0.33 0.00 0.09 0.00 0.00 178.44 179.11 1wh5 h ALA 34 N 1.30 1.26 0.00 1.53 0.00 0.77 -1.13 119.26 122.99 1wh5 h ALA 34 Ca 0.32 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1wh5 h ALA 34 Cb -0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wh5 h ALA 34 CO -0.06 0.41 -0.28 1.25 0.00 0.00 0.00 179.25 180.58 1wh5 h LEU 35 N 0.00 0.00 -1.71 0.00 5.85 0.53 -3.10 115.31 116.88 1wh5 h LEU 35 Ca -0.00 -0.65 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1wh5 h LEU 35 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1wh5 h LEU 35 CO 0.04 0.99 0.13 0.00 -0.34 0.00 0.00 178.44 179.26 1wh5 h ALA 36 N -0.35 1.10 -0.00 1.25 0.00 0.21 1.42 119.26 122.90 1wh5 h ALA 36 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wh5 h ALA 36 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1wh5 h ALA 36 CO -0.04 -0.10 -0.52 0.39 0.00 0.00 0.00 179.25 178.98 1wh5 n GLU 37 N -2.48 0.46 -0.00 0.00 1.02 -0.43 0.12 120.64 119.32 1wh5 n GLU 37 Ca -0.02 -0.31 0.07 0.00 -0.02 0.00 0.00 57.16 56.88 1wh5 n GLU 37 Cb 0.17 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.00 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 -1.00 1.42 -0.05 3.49 -4.01 0.47 -4.54 116.66 112.44 1wh5 n ARG 38 Ca 0.08 -0.06 -0.06 0.00 -1.04 0.00 0.00 57.85 56.76 1wh5 n ARG 38 Cb 0.36 -1.25 -0.07 0.00 -3.04 0.00 0.00 32.46 28.46 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 -1.66 0.68 0.00 8.89 -5.35 -0.03 -5.02 119.36 116.87 1wh5 n ILE 39 Ca 0.00 -0.37 0.00 0.00 -0.27 0.00 0.00 62.75 62.11 1wh5 n ILE 39 Cb 0.30 -0.80 0.00 0.00 -1.74 0.00 0.00 39.64 37.40 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 2.55 1.58 2.72 3.28 0.00 -0.40 -4.48 105.19 110.44 1wh5 n GLY 40 Ca -0.18 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.63 -4.18 1.61 7.02 0.32 -4.98 117.44 114.70 1wh5 n TRP 41 Ca 0.00 0.54 -0.15 0.00 -1.02 0.00 0.00 57.50 56.87 1wh5 n TRP 41 Cb 0.00 -3.41 -0.07 0.00 -2.42 0.00 0.00 31.31 25.41 1wh5 n TRP 41 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1wh5 s ARG 42 N -5.65 1.68 0.01 -0.99 1.70 -1.26 -4.82 118.95 109.61 1wh5 s ARG 42 Ca 0.31 -1.79 0.01 0.00 -0.47 0.00 0.00 55.73 53.79 1wh5 s ARG 42 Cb -0.14 0.37 -0.01 0.00 -0.57 0.00 0.00 34.95 34.60 1wh5 s ARG 42 CO 0.39 -0.64 -0.03 0.42 -1.08 0.00 0.00 175.30 174.36 1wh5 s ILE 43 N -3.50 0.16 0.37 4.99 1.01 -1.26 -4.88 121.20 118.08 1wh5 s ILE 43 Ca 0.35 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 1wh5 s ILE 43 Cb 0.02 -0.20 0.02 0.00 0.01 0.00 0.00 42.46 42.31 1wh5 s ILE 43 CO 0.20 -0.13 0.56 -1.10 0.00 0.00 0.00 174.94 174.47 1wh5 s GLN 44 N -0.53 2.06 0.00 2.79 -0.21 -1.26 -5.01 119.66 117.50 1wh5 s GLN 44 Ca -0.04 -1.76 0.24 0.00 0.02 0.00 0.00 55.36 53.81 1wh5 s GLN 44 Cb -0.04 0.49 1.42 0.00 1.00 0.00 0.00 33.01 35.88 1wh5 s GLN 44 CO -0.00 -0.88 1.92 -2.13 -2.12 0.00 0.00 175.29 172.07 1wh5 n ARG 45 N -0.59 1.01 -0.09 2.91 0.00 -1.26 -2.24 116.66 116.39 1wh5 n ARG 45 Ca -0.01 -0.01 -0.10 0.00 -0.00 0.00 0.00 57.85 57.73 1wh5 n ARG 45 Cb 0.61 -1.37 -0.13 0.00 0.00 0.00 0.00 32.46 31.56 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 -0.86 0.99 0.02 -0.14 6.02 -1.26 -4.31 117.38 117.84 1wh5 n GLN 46 Ca 0.18 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.31 1wh5 n GLN 46 Cb 0.08 -1.46 0.24 0.00 1.02 0.00 0.00 30.24 30.13 1wh5 n GLN 46 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1wh5 n ASP 47 N -2.77 0.55 -0.20 1.08 9.92 -1.16 -4.30 116.55 119.67 1wh5 n ASP 47 Ca -0.31 -0.05 -0.06 0.00 -0.53 0.00 0.00 54.79 53.84 1wh5 n ASP 47 Cb 1.05 0.18 -0.05 0.00 -0.64 0.00 0.00 41.12 41.66 1wh5 n ASP 47 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1wh5 h ASP 48 N 0.00 -1.07 -1.43 -2.24 5.19 -1.64 1.95 116.42 117.18 1wh5 h ASP 48 Ca 0.00 0.16 0.48 0.00 -0.62 0.00 0.00 57.03 57.05 1wh5 h ASP 48 Cb 0.60 0.47 -0.13 0.00 0.18 0.00 0.00 39.33 40.45 1wh5 h ASP 48 CO 0.00 -0.12 0.94 1.05 -3.12 0.00 0.00 179.24 177.99 1wh5 h GLU 49 N -0.02 0.03 0.16 3.56 4.11 -1.86 1.74 114.58 122.30 1wh5 h GLU 49 Ca 0.08 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.26 1wh5 h GLU 49 Cb 0.21 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.47 1wh5 h GLU 49 CO -0.45 0.02 -1.14 0.28 0.07 0.00 0.00 179.01 177.79 1wh5 h VAL 50 N 0.03 1.31 -0.76 -1.06 2.07 0.18 -1.01 116.25 117.01 1wh5 h VAL 50 Ca 0.87 -2.53 0.01 0.00 0.82 0.00 0.00 66.70 65.87 1wh5 h VAL 50 Cb 2.87 3.02 -0.04 0.00 -1.52 0.00 0.00 31.29 35.62 1wh5 h VAL 50 CO -0.40 0.74 0.50 0.40 0.02 0.00 0.00 177.57 178.83 1wh5 h ILE 51 N -0.24 1.18 0.00 4.57 1.08 1.32 1.52 117.51 126.94 1wh5 h ILE 51 Ca -0.22 -0.35 -0.13 0.00 -0.39 0.00 0.00 64.86 63.77 1wh5 h ILE 51 Cb 1.79 0.07 -0.02 0.00 -3.07 0.00 0.00 36.82 35.59 1wh5 h ILE 51 CO 0.15 0.19 -0.61 1.56 -0.69 0.00 0.00 178.15 178.74 1wh5 h GLN 52 N 1.02 0.00 0.11 2.37 4.20 0.17 -2.87 115.11 120.11 1wh5 h GLN 52 Ca 0.28 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.72 1wh5 h GLN 52 Cb -0.10 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.69 1wh5 h GLN 52 CO -0.07 0.61 -1.19 -0.09 -0.67 0.00 0.00 178.83 177.43 1wh5 h ARG 53 N 0.00 0.38 -0.23 1.46 9.65 -0.08 -3.16 114.38 122.41 1wh5 h ARG 53 Ca -0.01 -0.56 -0.01 0.00 -1.10 0.00 0.00 59.98 58.30 1wh5 h ARG 53 Cb 1.30 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 30.06 1wh5 h ARG 53 CO 0.08 1.23 0.09 0.35 2.80 0.00 0.00 179.97 184.52 1wh5 h PHE 54 N 0.15 0.35 0.00 2.20 3.57 0.21 -0.89 116.94 122.53 1wh5 h PHE 54 Ca -0.14 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.33 1wh5 h PHE 54 Cb 1.88 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 40.51 1wh5 h PHE 54 CO 0.08 0.39 0.00 0.00 -2.23 0.00 0.00 178.31 176.55 1wh5 h GLN 56 N 0.00 0.15 0.08 0.00 5.75 -1.13 -0.63 115.11 119.33 1wh5 h GLN 56 Ca 0.00 -0.26 -0.36 0.00 -0.15 0.00 0.00 58.65 57.88 1wh5 h GLN 56 Cb 0.11 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1wh5 h GLN 56 CO 0.00 1.12 -2.05 -0.85 -2.65 0.00 0.00 178.83 174.40 1wh5 n GLU 57 N -3.45 0.72 -0.01 1.69 0.28 0.14 -4.71 120.64 115.31 1wh5 n GLU 57 Ca -0.05 0.24 -0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1wh5 n GLU 57 Cb 0.99 -1.68 -0.00 0.00 1.43 0.00 0.00 31.44 32.17 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 -3.34 0.11 0.00 3.84 -2.24 0.20 -5.03 114.28 107.82 1wh5 n THR 58 Ca -0.32 0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1wh5 n THR 58 Cb 1.04 -1.57 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 1.72 0.68 3.76 3.38 0.00 -0.24 -5.00 105.19 109.48 1wh5 n GLY 59 Ca -0.01 0.00 -0.40 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 -1.63 3.47 0.42 1.61 1.01 -1.26 -4.98 120.40 119.05 1wh5 s VAL 60 Ca 0.00 1.41 -0.23 0.00 0.00 0.00 0.00 61.98 63.16 1wh5 s VAL 60 Cb 0.00 -3.87 -0.09 0.00 0.00 0.00 0.00 36.38 32.43 1wh5 s VAL 60 CO 0.00 0.28 1.05 -2.16 0.00 0.00 0.00 175.10 174.27 1wh5 s PRO 61 N -1.68 4.05 0.09 2.72 0.04 -1.26 -4.37 135.00 134.60 1wh5 s PRO 61 Ca 0.48 1.48 -0.34 0.00 0.04 0.00 0.00 61.00 62.65 1wh5 s PRO 61 Cb -0.31 -2.42 -0.15 0.00 0.04 0.00 0.00 34.50 31.67 1wh5 s PRO 61 CO 0.39 -0.23 1.58 -0.09 0.04 0.00 0.00 177.00 178.69 1wh5 h ARG 62 N 2.23 -0.84 -1.37 4.56 2.43 -1.95 0.15 114.38 119.58 1wh5 h ARG 62 Ca -0.49 0.06 0.41 0.00 -0.81 0.00 0.00 59.98 59.15 1wh5 h ARG 62 Cb 1.22 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 30.86 1wh5 h ARG 62 CO 0.61 -0.56 0.93 0.37 -1.51 0.00 0.00 179.97 179.81 1wh5 h GLN 63 N -0.88 0.10 0.20 0.20 4.15 -1.98 0.86 115.11 117.77 1wh5 h GLN 63 Ca -0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1wh5 h GLN 63 Cb 0.79 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.46 1wh5 h GLN 63 CO -0.11 0.07 -0.10 0.28 -1.93 0.00 0.00 178.83 177.04 1wh5 h VAL 64 N 0.10 0.42 -0.03 2.39 2.07 -1.51 -1.55 116.25 118.14 1wh5 h VAL 64 Ca 0.75 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1wh5 h VAL 64 Cb 2.56 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 33.06 1wh5 h VAL 64 CO -0.23 0.12 0.24 0.25 0.02 0.00 0.00 177.57 177.97 1wh5 h LEU 65 N -1.00 0.00 0.00 2.57 7.12 0.21 1.23 115.31 125.43 1wh5 h LEU 65 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1wh5 h LEU 65 Cb 0.40 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.53 1wh5 h LEU 65 CO 0.05 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.53 1wh5 n LYS 66 N -3.05 0.00 -0.33 1.25 4.81 0.27 -3.53 118.16 117.57 1wh5 n LYS 66 Ca -0.02 0.37 0.10 0.00 -0.87 0.00 0.00 58.31 57.90 1wh5 n LYS 66 Cb 0.31 -0.91 0.30 0.00 0.02 0.00 0.00 35.03 34.75 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 0.84 -0.90 3.15 2.07 -0.97 -0.69 116.25 119.76 1wh5 h VAL 67 Ca 0.00 -0.29 0.15 0.00 0.82 0.00 0.00 66.70 67.37 1wh5 h VAL 67 Cb 0.00 -0.08 -0.15 0.00 -1.52 0.00 0.00 31.29 29.53 1wh5 h VAL 67 CO 0.00 0.16 -0.36 -0.25 0.02 0.00 0.00 177.57 177.14 1wh5 h TRP 68 N 0.85 -0.97 0.29 1.57 7.01 0.14 1.41 115.95 126.25 1wh5 h TRP 68 Ca 0.50 0.10 0.00 0.00 2.11 0.00 0.00 58.89 61.60 1wh5 h TRP 68 Cb 0.66 0.56 -0.04 0.00 -2.10 0.00 0.00 29.16 28.24 1wh5 h TRP 68 CO -0.00 -0.40 -0.47 -0.07 -2.79 0.00 0.00 178.44 174.70 1wh5 h LEU 69 N -0.04 -1.36 -1.81 0.65 3.38 -1.16 0.26 115.31 115.23 1wh5 h LEU 69 Ca 0.33 0.13 0.21 0.00 0.09 0.00 0.00 57.88 58.65 1wh5 h LEU 69 Cb 0.60 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 1wh5 h LEU 69 CO -0.92 -0.58 0.57 -0.74 0.09 0.00 0.00 178.44 176.87 1wh5 h HIS 70 N -0.83 0.21 0.00 1.13 2.76 -0.34 1.82 115.15 119.90 1wh5 h HIS 70 Ca -0.02 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.10 1wh5 h HIS 70 Cb 0.78 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 1wh5 h HIS 70 CO -0.33 0.06 -0.24 -0.91 -1.30 0.00 0.00 177.93 175.20 1wh5 h ASN 71 N 0.16 0.00 0.00 3.26 2.35 0.40 -3.42 115.58 118.34 1wh5 h ASN 71 Ca 0.41 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 1wh5 h ASN 71 Cb 1.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.72 1wh5 h ASN 71 CO -0.07 0.24 0.00 0.59 -1.65 0.00 0.00 177.43 176.54 1wh5 n ASN 72 N -3.33 0.00 -0.03 5.81 3.02 0.52 -5.06 115.26 116.19 1wh5 n ASN 72 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 1wh5 n ASN 72 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 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 -0.10 0.00 -1.71 3.52 5.02 0.41 -3.81 118.16 121.50 1wh5 n LYS 73 Ca 0.00 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.91 1wh5 n LYS 73 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 1wh5 n LYS 73 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1wh5 s HIS 74 N 0.00 1.27 -0.15 2.13 3.76 -1.26 -4.92 115.29 116.12 1wh5 s HIS 74 Ca 0.00 1.17 0.01 0.00 -0.15 0.00 0.00 55.06 56.09 1wh5 s HIS 74 Cb 0.00 -3.79 0.02 0.00 1.11 0.00 0.00 32.58 29.92 1wh5 s HIS 74 CO 0.00 -2.75 -0.16 0.45 -0.85 0.00 0.00 174.74 171.42 1wh5 s SER 75 N 10.24 2.79 0.00 1.40 0.15 -1.25 -5.06 113.70 121.97 1wh5 s SER 75 Ca 0.90 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 57.02 1wh5 s SER 75 Cb -0.19 -1.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.86 1wh5 s SER 75 CO 0.27 -0.02 0.09 0.61 1.20 0.00 0.00 173.24 175.39 1wh5 n GLY 76 N 4.57 0.89 2.66 9.45 0.00 -1.26 -4.31 105.19 117.19 1wh5 n GLY 76 Ca -0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1wh5 n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wh5 n PRO 77 N -0.46 2.53 -3.74 1.61 -0.04 -1.26 -4.79 135.00 128.85 1wh5 n PRO 77 Ca 0.00 -1.95 -0.11 0.00 -0.04 0.00 0.00 63.50 61.40 1wh5 n PRO 77 Cb 0.00 -2.80 -0.06 0.00 -0.04 0.00 0.00 33.50 30.60 1wh5 n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wh5 s SER 78 N 3.39 -0.12 0.13 3.54 0.15 -1.26 -5.17 113.70 114.35 1wh5 s SER 78 Ca 0.53 -0.30 0.07 0.00 0.70 0.00 0.00 55.95 56.95 1wh5 s SER 78 Cb 0.14 0.39 -0.04 0.00 -1.71 0.00 0.00 66.02 64.80 1wh5 s SER 78 CO -0.02 -0.70 -0.18 -0.44 1.20 0.00 0.00 173.24 173.10 1wh5 s SER 79 N -2.41 2.39 0.00 5.45 0.01 -1.26 -5.03 113.70 112.85 1wh5 s SER 79 Ca -0.01 -0.77 0.00 0.00 1.31 0.00 0.00 55.95 56.48 1wh5 s SER 79 Cb 0.01 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.12 1wh5 s SER 79 CO -0.07 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.16