#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 3.90 -0.34 1.61 1.04 -1.26 -5.06 113.70 113.59 1wh5 s SER 2 Ca 0.00 -1.65 -0.01 0.00 0.48 0.00 0.00 55.95 54.77 1wh5 s SER 2 Cb 0.00 -0.78 0.11 0.00 0.10 0.00 0.00 66.02 65.46 1wh5 s SER 2 CO 0.00 -0.41 0.15 -0.44 0.98 0.00 0.00 173.24 173.52 1wh5 s SER 3 N 1.61 3.67 0.00 7.02 0.01 -1.26 -5.05 113.70 119.72 1wh5 s SER 3 Ca 0.10 -1.87 0.00 0.00 1.31 0.00 0.00 55.95 55.50 1wh5 s SER 3 Cb -0.18 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.34 1wh5 s SER 3 CO -0.25 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1wh5 n GLY 4 N 4.52 0.34 3.17 3.44 0.00 -1.26 -5.04 105.19 110.36 1wh5 n GLY 4 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 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 0.00 -6.68 0.21 1.61 7.64 -1.26 -4.88 113.62 110.27 1wh5 n SER 5 Ca 0.00 0.34 -0.16 0.00 1.01 0.00 0.00 58.87 60.06 1wh5 n SER 5 Cb 0.00 -3.08 -0.08 0.00 -1.01 0.00 0.00 64.21 60.04 1wh5 n SER 5 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1wh5 h SER 6 N 2.50 -1.16 0.00 6.43 0.87 -2.07 -3.49 113.55 116.63 1wh5 h SER 6 Ca -0.23 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.43 1wh5 h SER 6 Cb 1.04 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1wh5 h SER 6 CO 0.16 -0.55 0.00 0.61 -0.53 0.00 0.00 176.83 176.52 1wh5 n GLY 7 N -1.49 0.41 3.30 5.77 0.00 -1.26 -5.11 105.19 106.80 1wh5 n GLY 7 Ca -0.10 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 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 -4.00 0.08 -0.30 1.61 1.04 -1.26 -5.15 113.70 105.73 1wh5 s SER 8 Ca 0.00 -0.88 -0.07 0.00 0.48 0.00 0.00 55.95 55.47 1wh5 s SER 8 Cb 0.00 0.41 0.19 0.00 0.10 0.00 0.00 66.02 66.71 1wh5 s SER 8 CO 0.00 -0.85 0.91 -0.55 0.98 0.00 0.00 173.24 173.72 1wh5 s SER 9 N -2.96 -0.78 0.33 7.02 0.15 -1.26 -5.17 113.70 111.02 1wh5 s SER 9 Ca 0.16 0.25 0.04 0.00 0.70 0.00 0.00 55.95 57.11 1wh5 s SER 9 Cb 0.04 1.56 -0.06 0.00 -1.71 0.00 0.00 66.02 65.84 1wh5 s SER 9 CO -0.01 -0.14 0.04 0.00 1.20 0.00 0.00 173.24 174.33 1wh5 s ALA 10 N 2.92 2.43 0.05 5.45 0.00 -1.26 -5.02 121.76 126.32 1wh5 s ALA 10 Ca 0.14 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 50.04 1wh5 s ALA 10 Cb -0.08 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.61 1wh5 s ALA 10 CO -0.20 -0.27 0.00 -1.91 0.00 0.00 0.00 175.76 173.39 1wh5 n GLU 11 N -0.70 0.00 -3.10 0.00 2.13 -1.26 -5.01 120.64 112.70 1wh5 n GLU 11 Ca -0.03 0.00 -0.34 0.00 0.66 0.00 0.00 57.16 57.45 1wh5 n GLU 11 Cb 0.66 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 32.34 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 -2.85 4.81 0.00 4.31 0.00 -1.26 -4.99 120.51 120.53 1wh5 n ALA 12 Ca 0.00 -4.75 0.00 0.00 0.00 0.00 0.00 53.44 48.69 1wh5 n ALA 12 Cb 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 17.96 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 0.66 -0.16 0.00 0.00 0.00 -1.26 -5.10 105.19 99.34 1wh5 n GLY 13 Ca 0.31 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 -0.32 -1.90 0.00 -0.02 0.00 -1.26 -4.99 105.19 96.70 1wh5 n GLY 14 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.91 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 2.04 3.56 -0.02 0.00 -1.26 -4.97 105.19 104.54 1wh5 n GLY 15 Ca 0.00 -0.66 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 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 0.00 3.41 -0.42 -0.61 2.07 -1.26 -4.84 121.20 119.55 1wh5 s ILE 16 Ca 0.00 0.29 0.07 0.00 -1.41 0.00 0.00 60.65 59.61 1wh5 s ILE 16 Cb 0.00 -3.93 0.18 0.00 0.13 0.00 0.00 42.46 38.84 1wh5 s ILE 16 CO 0.00 -0.84 0.60 -0.13 -1.91 0.00 0.00 174.94 172.67 1wh5 s ARG 17 N 6.67 0.83 -0.30 3.50 0.52 -1.26 -4.96 118.95 123.95 1wh5 s ARG 17 Ca 0.68 -0.47 -0.16 0.00 -0.52 0.00 0.00 55.73 55.26 1wh5 s ARG 17 Cb -0.14 -0.05 0.18 0.00 0.52 0.00 0.00 34.95 35.45 1wh5 s ARG 17 CO 0.23 -1.21 1.10 -1.59 0.02 0.00 0.00 175.30 173.85 1wh5 s LYS 18 N 1.64 0.19 -0.28 3.54 0.00 -1.26 -5.16 119.74 118.41 1wh5 s LYS 18 Ca 0.18 0.46 -0.33 0.00 0.00 0.00 0.00 55.97 56.27 1wh5 s LYS 18 Cb -0.05 0.27 0.18 0.00 0.00 0.00 0.00 37.83 38.23 1wh5 s LYS 18 CO -0.06 -0.09 1.36 0.50 0.00 0.00 0.00 175.35 177.06 1wh5 s ARG 19 N 2.41 0.06 -0.90 1.78 3.52 -1.26 -5.01 118.95 119.55 1wh5 s ARG 19 Ca -0.01 -0.00 -0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1wh5 s ARG 19 Cb -0.05 0.03 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1wh5 s ARG 19 CO -0.16 -0.02 0.75 1.58 -0.81 0.00 0.00 175.30 176.64 1wh5 n HIS 20 N 0.27 -1.66 -2.69 5.12 -0.00 -1.26 -4.95 115.22 110.04 1wh5 n HIS 20 Ca 0.02 0.70 -0.06 0.00 -0.00 0.00 0.00 57.72 58.38 1wh5 n HIS 20 Cb 0.58 -4.27 0.08 0.00 -0.00 0.00 0.00 29.99 26.37 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 -3.36 0.79 -4.42 1.57 3.00 -1.26 -5.15 116.66 107.83 1wh5 n ARG 21 Ca -0.20 -1.43 -0.25 0.00 -0.00 0.00 0.00 57.85 55.97 1wh5 n ARG 21 Cb 0.62 -0.23 -0.10 0.00 0.00 0.00 0.00 32.46 32.75 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 0.15 2.60 -0.36 5.15 -4.23 -1.26 -5.05 115.64 112.63 1wh5 s THR 22 Ca 0.17 -2.17 0.05 0.00 -1.18 0.00 0.00 61.69 58.55 1wh5 s THR 22 Cb 0.28 -2.32 0.25 0.00 1.34 0.00 0.00 72.50 72.05 1wh5 s THR 22 CO -0.08 -0.28 1.23 2.29 -0.54 0.00 0.00 174.62 177.25 1wh5 n LYS 23 N -0.30 0.53 -2.26 3.99 -0.00 -1.26 -5.12 118.16 113.73 1wh5 n LYS 23 Ca -0.08 -1.15 -0.43 0.00 -0.00 0.00 0.00 58.31 56.65 1wh5 n LYS 23 Cb 0.58 -0.25 -0.02 0.00 -0.00 0.00 0.00 35.03 35.34 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 0.11 2.43 0.62 5.58 0.08 -1.26 -5.00 117.98 120.54 1wh5 s PHE 24 Ca 0.16 0.70 -0.01 0.00 0.12 0.00 0.00 56.93 57.90 1wh5 s PHE 24 Cb 0.24 -3.85 0.06 0.00 -0.57 0.00 0.00 43.02 38.90 1wh5 s PHE 24 CO -0.09 -2.39 0.88 -0.08 -0.10 0.00 0.00 175.22 173.43 1wh5 s THR 25 N 4.46 2.46 0.37 0.64 -1.32 -1.26 -4.53 115.64 116.47 1wh5 s THR 25 Ca 0.63 -0.56 0.24 0.00 -1.21 0.00 0.00 61.69 60.80 1wh5 s THR 25 Cb -0.22 -2.91 0.39 0.00 -1.51 0.00 0.00 72.50 68.25 1wh5 s THR 25 CO 0.24 0.00 1.47 0.00 -2.21 0.00 0.00 174.62 174.12 1wh5 n ALA 26 N -2.59 1.10 0.03 11.08 0.00 -1.26 0.16 120.51 129.03 1wh5 n ALA 26 Ca 0.10 0.89 -0.01 0.00 0.00 0.00 0.00 53.44 54.42 1wh5 n ALA 26 Cb 0.60 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 -0.09 -0.69 0.00 4.81 -1.98 0.78 114.58 117.42 1wh5 h GLU 27 Ca 0.81 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 60.18 1wh5 h GLU 27 Cb 2.34 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 31.64 1wh5 h GLU 27 CO -0.60 -0.06 0.19 1.96 -0.73 0.00 0.00 179.01 179.77 1wh5 h GLN 28 N -0.12 0.30 0.41 1.92 1.08 -1.15 1.50 115.11 119.05 1wh5 h GLN 28 Ca -0.01 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1wh5 h GLN 28 Cb 0.07 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1wh5 h GLN 28 CO 0.02 0.20 -0.39 -0.22 -0.95 0.00 0.00 178.83 177.49 1wh5 h LYS 29 N 0.31 -0.76 -0.69 1.46 3.64 0.15 0.21 116.57 120.89 1wh5 h LYS 29 Ca 0.38 0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.86 1wh5 h LYS 29 Cb 0.59 0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1wh5 h LYS 29 CO -0.44 -0.51 0.39 0.93 -2.27 0.00 0.00 179.45 177.55 1wh5 h GLU 30 N -0.79 0.71 -0.50 1.90 5.08 -0.12 0.31 114.58 121.15 1wh5 h GLU 30 Ca -0.05 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.36 1wh5 h GLU 30 Cb 0.68 -0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.69 1wh5 h GLU 30 CO -0.03 0.47 0.02 0.00 -1.00 0.00 0.00 179.01 178.46 1wh5 h ARG 31 N 0.73 0.13 -0.26 2.33 2.47 0.25 0.63 114.38 120.66 1wh5 h ARG 31 Ca 0.30 -0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.88 1wh5 h ARG 31 Cb 0.16 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.45 1wh5 h ARG 31 CO -0.17 0.09 -0.38 0.52 0.56 0.00 0.00 179.97 180.59 1wh5 h MET 32 N 0.14 0.72 -0.74 0.04 2.86 0.20 -1.78 114.93 116.37 1wh5 h MET 32 Ca 0.26 -0.42 0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1wh5 h MET 32 Cb 0.38 0.04 -0.05 0.00 0.06 0.00 0.00 31.60 32.02 1wh5 h MET 32 CO -0.41 1.04 0.45 -0.07 1.06 0.00 0.00 176.91 178.98 1wh5 h LEU 33 N 0.45 0.70 -0.92 1.22 3.38 0.52 1.50 115.31 122.16 1wh5 h LEU 33 Ca 0.03 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 1wh5 h LEU 33 Cb 0.97 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1wh5 h LEU 33 CO 0.09 0.46 -0.15 0.00 0.09 0.00 0.00 178.44 178.93 1wh5 h ALA 34 N 1.35 1.09 0.01 1.53 0.00 0.30 0.73 119.26 124.27 1wh5 h ALA 34 Ca 0.32 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wh5 h ALA 34 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1wh5 h ALA 34 CO -0.15 0.56 -0.01 1.25 0.00 0.00 0.00 179.25 180.90 1wh5 h LEU 35 N 0.56 -0.02 -0.56 0.00 5.85 -0.16 -1.84 115.31 119.14 1wh5 h LEU 35 Ca 0.09 -0.58 0.08 0.00 0.84 0.00 0.00 57.88 58.31 1wh5 h LEU 35 Cb 0.59 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.56 1wh5 h LEU 35 CO 0.04 0.58 0.22 0.00 -0.34 0.00 0.00 178.44 178.94 1wh5 h ALA 36 N 0.35 0.71 0.00 1.25 0.00 0.21 1.21 119.26 122.99 1wh5 h ALA 36 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wh5 h ALA 36 Cb 0.59 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1wh5 h ALA 36 CO 0.00 -0.18 0.00 0.39 0.00 0.00 0.00 179.25 179.46 1wh5 n GLU 37 N -4.98 0.11 -0.13 0.00 1.02 0.24 0.19 120.64 117.09 1wh5 n GLU 37 Ca 0.07 0.17 -0.28 0.00 -0.02 0.00 0.00 57.16 57.10 1wh5 n GLU 37 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.04 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 0.07 3.49 0.63 0.21 -4.52 116.66 115.73 1wh5 n ARG 38 Ca 0.06 0.32 -0.12 0.00 -0.92 0.00 0.00 57.85 57.19 1wh5 n ARG 38 Cb 0.17 -1.54 -0.13 0.00 0.45 0.00 0.00 32.46 31.40 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 -0.98 1.51 0.00 5.15 3.07 0.12 -3.48 117.51 122.90 1wh5 h ILE 39 Ca -0.64 -3.17 0.00 0.00 1.55 0.00 0.00 64.86 62.60 1wh5 h ILE 39 Cb 1.57 2.85 0.00 0.00 -0.27 0.00 0.00 36.82 40.97 1wh5 h ILE 39 CO -0.38 0.90 0.00 0.61 -1.05 0.00 0.00 178.15 178.23 1wh5 n GLY 40 N 1.47 1.81 2.45 0.16 0.00 0.50 -4.35 105.19 107.24 1wh5 n GLY 40 Ca -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.79 -0.15 -4.26 1.61 7.02 0.17 -4.97 117.44 116.07 1wh5 n TRP 41 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 1wh5 n TRP 41 Cb 0.00 -2.99 -0.12 0.00 -2.42 0.00 0.00 31.31 25.78 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 -3.69 1.07 0.05 -0.99 3.52 -1.26 -4.92 118.95 112.73 1wh5 s ARG 42 Ca 0.00 -1.17 0.09 0.00 -0.13 0.00 0.00 55.73 54.52 1wh5 s ARG 42 Cb 0.00 -1.20 -0.03 0.00 -1.56 0.00 0.00 34.95 32.16 1wh5 s ARG 42 CO 0.00 0.26 -0.25 0.42 -0.81 0.00 0.00 175.30 174.92 1wh5 s ILE 43 N -1.47 2.24 0.26 4.11 1.01 -1.26 -4.82 121.20 121.27 1wh5 s ILE 43 Ca 0.07 -1.38 -0.19 0.00 0.00 0.00 0.00 60.65 59.14 1wh5 s ILE 43 Cb -0.09 -1.89 0.02 0.00 0.01 0.00 0.00 42.46 40.52 1wh5 s ILE 43 CO 0.04 0.35 0.65 -1.10 0.00 0.00 0.00 174.94 174.88 1wh5 s GLN 44 N -1.30 1.66 0.28 2.79 -1.52 -1.26 -5.00 119.66 115.31 1wh5 s GLN 44 Ca 0.12 -0.98 0.21 0.00 -1.95 0.00 0.00 55.36 52.76 1wh5 s GLN 44 Cb -0.10 0.57 1.06 0.00 -0.22 0.00 0.00 33.01 34.32 1wh5 s GLN 44 CO 0.03 -0.74 1.64 2.89 -0.25 0.00 0.00 175.29 178.85 1wh5 n ARG 45 N -0.43 0.15 -0.05 2.91 -4.01 -1.26 -0.29 116.66 113.67 1wh5 n ARG 45 Ca -0.05 0.57 -0.17 0.00 -1.04 0.00 0.00 57.85 57.15 1wh5 n ARG 45 Cb 0.60 -1.91 -0.13 0.00 -3.04 0.00 0.00 32.46 27.98 1wh5 n ARG 45 CO 0.00 0.00 0.00 1.96 -3.04 0.00 0.00 177.63 176.55 1wh5 h GLN 46 N 0.00 0.07 0.00 2.89 4.20 -2.02 -3.31 115.11 116.94 1wh5 h GLN 46 Ca 0.00 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.60 1wh5 h GLN 46 Cb 0.10 0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.92 1wh5 h GLN 46 CO 0.00 1.05 0.00 -0.25 -0.67 0.00 0.00 178.83 178.96 1wh5 n ASP 47 N -4.43 0.79 -0.33 1.46 8.00 -0.83 -3.49 116.55 117.72 1wh5 n ASP 47 Ca -0.17 0.62 0.17 0.00 0.71 0.00 0.00 54.79 56.12 1wh5 n ASP 47 Cb 0.62 -0.82 0.33 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.30 -0.52 -2.24 1.82 -0.74 1.75 116.42 116.19 1wh5 h ASP 48 Ca 0.00 0.27 0.06 0.00 -0.39 0.00 0.00 57.03 56.97 1wh5 h ASP 48 Cb 0.59 0.43 -0.05 0.00 0.68 0.00 0.00 39.33 40.97 1wh5 h ASP 48 CO 0.00 -0.34 0.22 -0.33 -1.61 0.00 0.00 179.24 177.18 1wh5 h GLU 49 N 0.03 0.41 -0.11 0.28 5.08 -1.78 1.46 114.58 119.96 1wh5 h GLU 49 Ca 0.63 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.76 1wh5 h GLU 49 Cb 1.36 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.51 1wh5 h GLU 49 CO -0.86 0.27 -0.75 0.28 -1.00 0.00 0.00 179.01 176.95 1wh5 h VAL 50 N 0.42 1.34 0.65 3.13 2.07 0.16 -0.35 116.25 123.68 1wh5 h VAL 50 Ca 0.24 -2.07 -0.03 0.00 0.82 0.00 0.00 66.70 65.66 1wh5 h VAL 50 Cb 0.23 2.06 0.01 0.00 -1.52 0.00 0.00 31.29 32.06 1wh5 h VAL 50 CO -0.22 0.64 -0.31 0.40 0.02 0.00 0.00 177.57 178.09 1wh5 h ILE 51 N 0.38 0.24 0.00 4.57 1.08 0.29 1.47 117.51 125.53 1wh5 h ILE 51 Ca -0.04 -0.25 -0.01 0.00 -0.39 0.00 0.00 64.86 64.18 1wh5 h ILE 51 Cb 1.34 0.30 -0.00 0.00 -3.07 0.00 0.00 36.82 35.39 1wh5 h ILE 51 CO 0.14 0.02 -0.04 1.56 -0.69 0.00 0.00 178.15 179.14 1wh5 h GLN 52 N -1.07 0.00 0.14 2.37 4.20 0.19 -1.87 115.11 119.06 1wh5 h GLN 52 Ca -0.09 0.00 -0.25 0.00 0.06 0.00 0.00 58.65 58.37 1wh5 h GLN 52 Cb 0.71 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.52 1wh5 h GLN 52 CO 0.15 0.04 -1.05 -0.09 -0.67 0.00 0.00 178.83 177.20 1wh5 h ARG 53 N 0.00 0.47 -0.62 1.46 9.65 -0.76 -3.26 114.38 121.33 1wh5 h ARG 53 Ca -0.00 -0.69 0.09 0.00 -1.10 0.00 0.00 59.98 58.27 1wh5 h ARG 53 Cb 0.08 0.24 -0.04 0.00 -1.39 0.00 0.00 29.97 28.86 1wh5 h ARG 53 CO 0.01 1.31 0.41 0.35 2.80 0.00 0.00 179.97 184.84 1wh5 h PHE 54 N -0.02 0.51 0.00 2.20 3.57 0.28 0.82 116.94 124.31 1wh5 h PHE 54 Ca -0.17 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.34 1wh5 h PHE 54 Cb 1.79 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.36 1wh5 h PHE 54 CO 0.15 0.25 0.00 0.00 -2.23 0.00 0.00 178.31 176.48 1wh5 n GLN 56 N -1.71 0.62 -0.09 0.00 1.13 0.28 -1.76 117.38 115.84 1wh5 n GLN 56 Ca 0.03 -0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 54.99 1wh5 n GLN 56 Cb 0.19 -1.71 -0.16 0.00 0.11 0.00 0.00 30.24 28.68 1wh5 n GLN 56 CO 0.00 0.00 0.00 -0.85 -1.44 0.00 0.00 177.06 174.77 1wh5 n GLU 57 N -2.50 0.68 -0.05 -1.09 0.28 -0.50 -4.74 120.64 112.71 1wh5 n GLU 57 Ca -0.01 0.02 -0.08 0.00 -0.16 0.00 0.00 57.16 56.93 1wh5 n GLU 57 Cb 0.56 -1.54 -0.03 0.00 1.43 0.00 0.00 31.44 31.85 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 -2.80 1.36 0.00 3.84 -2.24 0.12 -5.04 114.28 109.52 1wh5 n THR 58 Ca -0.32 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 1wh5 n THR 58 Cb 1.14 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.31 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 2.07 0.87 3.77 3.38 0.00 -0.72 -5.02 105.19 109.54 1wh5 n GLY 59 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 3.51 0.29 1.61 1.01 -1.26 -4.98 120.40 118.58 1wh5 s VAL 60 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1wh5 s VAL 60 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.50 1wh5 s VAL 60 CO 0.00 0.18 1.08 -2.16 0.00 0.00 0.00 175.10 174.20 1wh5 s PRO 61 N -1.98 4.59 0.14 2.72 0.04 -1.26 -4.39 135.00 134.86 1wh5 s PRO 61 Ca 0.51 1.73 -0.28 0.00 0.04 0.00 0.00 61.00 63.01 1wh5 s PRO 61 Cb -0.28 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.13 1wh5 s PRO 61 CO 0.36 0.19 1.58 -0.09 0.04 0.00 0.00 177.00 179.08 1wh5 h ARG 62 N 3.65 -0.39 -1.26 4.56 2.43 -1.94 0.53 114.38 121.96 1wh5 h ARG 62 Ca -0.47 0.03 0.37 0.00 -0.81 0.00 0.00 59.98 59.09 1wh5 h ARG 62 Cb 1.21 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 30.77 1wh5 h ARG 62 CO 0.66 -0.26 0.86 0.37 -1.51 0.00 0.00 179.97 180.09 1wh5 h GLN 63 N -0.41 0.14 0.00 0.20 4.15 -1.99 0.39 115.11 117.59 1wh5 h GLN 63 Ca 0.11 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.51 1wh5 h GLN 63 Cb 0.60 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.26 1wh5 h GLN 63 CO -0.47 0.09 -0.01 0.28 -1.93 0.00 0.00 178.83 176.79 1wh5 h VAL 64 N 0.14 1.73 -0.11 2.39 2.07 -0.67 -2.54 116.25 119.27 1wh5 h VAL 64 Ca 0.67 -2.16 0.03 0.00 0.82 0.00 0.00 66.70 66.06 1wh5 h VAL 64 Cb 2.26 3.20 -0.00 0.00 -1.52 0.00 0.00 31.29 35.23 1wh5 h VAL 64 CO -0.19 0.56 0.36 0.25 0.02 0.00 0.00 177.57 178.57 1wh5 h LEU 65 N -0.91 0.00 0.00 2.57 7.12 0.37 1.15 115.31 125.61 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 0.93 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.06 1wh5 h LEU 65 CO 0.00 0.00 0.00 1.17 -0.13 0.00 0.00 178.44 179.48 1wh5 n LYS 66 N -3.13 0.00 -0.22 1.25 4.81 0.64 -3.59 118.16 117.93 1wh5 n LYS 66 Ca 0.01 0.41 0.03 0.00 -0.87 0.00 0.00 58.31 57.89 1wh5 n LYS 66 Cb 0.45 -0.91 0.14 0.00 0.02 0.00 0.00 35.03 34.73 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 0.59 -0.70 3.15 -1.51 -1.02 -1.39 116.25 115.37 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 0.29 -0.08 0.00 -2.13 0.00 0.00 31.29 29.37 1wh5 h VAL 67 CO 0.00 0.05 -0.41 1.87 -1.23 0.00 0.00 177.57 177.85 1wh5 n TRP 68 N -5.13 -0.31 -0.29 5.19 -0.00 0.39 0.24 117.44 117.53 1wh5 n TRP 68 Ca 0.11 0.88 0.07 0.00 -0.00 0.00 0.00 57.50 58.56 1wh5 n TRP 68 Cb 0.38 -0.55 0.17 0.00 -0.00 0.00 0.00 31.31 31.32 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 -0.51 -0.49 5.87 3.38 -1.31 1.57 115.31 123.82 1wh5 h LEU 69 Ca 0.11 0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 1wh5 h LEU 69 Cb 0.29 0.43 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1wh5 h LEU 69 CO -0.66 -0.25 0.06 -0.74 0.09 0.00 0.00 178.44 176.94 1wh5 h HIS 70 N 0.05 0.87 0.00 1.13 2.76 0.23 1.21 115.15 121.40 1wh5 h HIS 70 Ca 0.46 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 1wh5 h HIS 70 Cb 0.81 -0.24 -0.00 0.00 1.55 0.00 0.00 27.41 29.53 1wh5 h HIS 70 CO -0.51 0.81 -0.08 -0.91 -1.30 0.00 0.00 177.93 175.93 1wh5 h ASN 71 N 0.68 0.00 0.00 3.26 2.35 0.98 -3.31 115.58 119.54 1wh5 h ASN 71 Ca 0.15 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 1wh5 h ASN 71 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1wh5 h ASN 71 CO 0.01 0.08 0.00 0.59 -1.65 0.00 0.00 177.43 176.47 1wh5 n ASN 72 N -3.47 0.00 -4.25 5.81 3.02 0.47 -4.90 115.26 111.94 1wh5 n ASN 72 Ca -0.02 0.11 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1wh5 n ASN 72 Cb 0.22 -0.28 0.22 0.00 -0.61 0.00 0.00 39.78 39.34 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 -1.75 -2.32 -1.24 3.52 2.85 0.41 -4.78 118.16 114.85 1wh5 n LYS 73 Ca 0.00 -0.66 0.16 0.00 -1.05 0.00 0.00 58.31 56.76 1wh5 n LYS 73 Cb 0.00 -1.88 -0.05 0.00 -0.65 0.00 0.00 35.03 32.45 1wh5 n LYS 73 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 1wh5 n HIS 74 N -4.80 -3.16 -3.78 5.58 8.25 -1.26 -4.71 115.22 111.34 1wh5 n HIS 74 Ca 0.02 1.62 -0.37 0.00 -0.26 0.00 0.00 57.72 58.73 1wh5 n HIS 74 Cb 0.58 -2.87 -0.13 0.00 1.12 0.00 0.00 29.99 28.69 1wh5 n HIS 74 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wh5 s SER 75 N -6.67 5.09 -0.17 0.41 1.04 -1.26 -5.04 113.70 107.10 1wh5 s SER 75 Ca 0.00 -0.84 -0.06 0.00 0.48 0.00 0.00 55.95 55.53 1wh5 s SER 75 Cb 0.00 -1.85 0.08 0.00 0.10 0.00 0.00 66.02 64.35 1wh5 s SER 75 CO 0.00 -0.22 0.35 -0.83 0.98 0.00 0.00 173.24 173.52 1wh5 s GLY 76 N 1.45 -0.25 0.55 7.32 0.00 -1.26 -5.15 107.32 109.98 1wh5 s GLY 76 Ca 0.01 1.23 -0.17 0.00 0.00 0.00 0.00 44.72 45.79 1wh5 s GLY 76 CO 0.02 2.22 1.04 2.56 0.00 0.00 0.00 173.10 178.94 1wh5 s PRO 77 N 2.53 3.54 0.38 2.90 0.04 -1.26 -4.80 135.00 138.33 1wh5 s PRO 77 Ca -0.00 1.23 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1wh5 s PRO 77 Cb -0.12 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.36 1wh5 s PRO 77 CO -0.11 -0.63 0.00 0.43 0.04 0.00 0.00 177.00 176.73 1wh5 n SER 78 N -1.63 -8.21 0.02 6.66 7.64 -1.26 -5.03 113.62 111.82 1wh5 n SER 78 Ca 0.09 1.14 -0.02 0.00 1.01 0.00 0.00 58.87 61.09 1wh5 n SER 78 Cb 0.53 -4.21 -0.01 0.00 -1.01 0.00 0.00 64.21 59.51 1wh5 n SER 78 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wh5 n SER 79 N -0.11 1.16 0.00 6.43 2.88 -1.26 -5.13 113.62 117.59 1wh5 n SER 79 Ca 0.00 0.16 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 1wh5 n SER 79 Cb 0.00 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1wh5 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42