#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 -0.45 0.00 1.61 0.15 -1.26 -4.95 113.70 108.80 1wh5 s SER 2 Ca 0.00 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wh5 s SER 2 Cb 0.00 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 65.08 1wh5 s SER 2 CO 0.00 -0.17 0.00 -1.20 1.20 0.00 0.00 173.24 173.07 1wh5 n SER 3 N 3.60 0.00 0.00 5.45 7.64 -1.26 -4.75 113.62 124.30 1wh5 n SER 3 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.69 1wh5 n SER 3 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 1wh5 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh5 n GLY 4 N 0.00 2.15 1.33 0.23 0.00 -1.26 -4.97 105.19 102.67 1wh5 n GLY 4 Ca 0.00 -0.22 0.16 0.00 0.00 0.00 0.00 46.02 45.97 1wh5 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh5 n SER 5 N 4.20 -7.50 -3.62 1.61 2.88 -1.26 -5.05 113.62 104.88 1wh5 n SER 5 Ca 0.00 1.21 -0.07 0.00 -1.33 0.00 0.00 58.87 58.68 1wh5 n SER 5 Cb 0.00 -4.48 -0.06 0.00 -0.75 0.00 0.00 64.21 58.92 1wh5 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1wh5 s SER 6 N -7.03 -0.24 0.00 -3.46 0.15 -1.26 -5.12 113.70 96.73 1wh5 s SER 6 Ca 0.00 0.35 0.00 0.00 0.70 0.00 0.00 55.95 57.00 1wh5 s SER 6 Cb 0.00 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1wh5 s SER 6 CO 0.00 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.88 1wh5 n GLY 7 N 1.11 -1.79 3.60 9.45 0.00 -1.26 -5.15 105.19 111.15 1wh5 n GLY 7 Ca -0.08 0.74 -0.23 0.00 0.00 0.00 0.00 46.02 46.44 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 -4.00 4.31 0.31 1.61 0.01 -1.26 -5.00 113.70 109.69 1wh5 s SER 8 Ca 0.00 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.53 1wh5 s SER 8 Cb 0.00 -0.72 0.00 0.00 0.21 0.00 0.00 66.02 65.51 1wh5 s SER 8 CO 0.00 0.02 0.00 -0.24 0.41 0.00 0.00 173.24 173.43 1wh5 n SER 9 N -0.79 -2.81 -3.49 2.44 2.88 -1.26 -5.16 113.62 105.44 1wh5 n SER 9 Ca -0.06 0.71 -0.13 0.00 -1.33 0.00 0.00 58.87 58.05 1wh5 n SER 9 Cb 0.59 2.75 -0.03 0.00 -0.75 0.00 0.00 64.21 66.77 1wh5 n SER 9 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wh5 s ALA 10 N -2.00 -1.50 0.20 -1.46 0.00 -1.26 -5.17 121.76 110.56 1wh5 s ALA 10 Ca 0.00 0.57 0.06 0.00 0.00 0.00 0.00 51.96 52.59 1wh5 s ALA 10 Cb 0.00 0.64 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1wh5 s ALA 10 CO 0.00 -0.65 0.13 -2.00 0.00 0.00 0.00 175.76 173.25 1wh5 s GLU 11 N -3.14 2.83 0.61 0.00 2.12 -1.26 -5.13 118.70 114.73 1wh5 s GLU 11 Ca -0.02 -0.98 0.01 0.00 0.36 0.00 0.00 54.97 54.34 1wh5 s GLU 11 Cb -0.00 -2.57 0.06 0.00 0.26 0.00 0.00 34.13 31.88 1wh5 s GLU 11 CO -0.07 0.45 0.85 0.00 -0.54 0.00 0.00 175.26 175.94 1wh5 s ALA 12 N -1.89 3.85 0.00 6.30 0.00 -1.26 -5.04 121.76 123.71 1wh5 s ALA 12 Ca 0.31 -1.47 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1wh5 s ALA 12 Cb -0.09 -2.05 0.00 0.00 0.00 0.00 0.00 23.12 20.98 1wh5 s ALA 12 CO 0.23 -0.98 0.00 0.41 0.00 0.00 0.00 175.76 175.42 1wh5 n GLY 13 N -2.50 1.36 0.00 0.00 0.00 -1.26 -5.17 105.19 97.62 1wh5 n GLY 13 Ca 0.10 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.08 -0.81 0.00 -0.02 0.00 -1.26 -5.14 105.19 96.88 1wh5 n GLY 14 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.43 3.51 -0.02 0.00 -1.26 -4.95 105.19 102.90 1wh5 n GLY 15 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 2.85 4.02 0.22 -0.61 -1.09 -1.26 -5.00 121.20 120.34 1wh5 s ILE 16 Ca 0.00 -0.11 0.07 0.00 -2.23 0.00 0.00 60.65 58.37 1wh5 s ILE 16 Cb 0.00 -4.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.00 1wh5 s ILE 16 CO 0.00 -1.70 0.15 -0.13 -1.23 0.00 0.00 174.94 172.03 1wh5 s ARG 17 N 4.87 2.84 -0.07 2.79 3.00 -1.26 -4.90 118.95 126.21 1wh5 s ARG 17 Ca 0.31 -1.03 -0.05 0.00 0.00 0.00 0.00 55.73 54.96 1wh5 s ARG 17 Cb -0.10 -2.55 0.02 0.00 0.00 0.00 0.00 34.95 32.32 1wh5 s ARG 17 CO 0.09 0.43 0.11 1.17 0.00 0.00 0.00 175.30 177.10 1wh5 n LYS 18 N -0.84 -3.45 -3.11 3.54 0.00 -1.26 -5.07 118.16 107.97 1wh5 n LYS 18 Ca -0.08 2.70 0.03 0.00 0.00 0.00 0.00 58.31 60.96 1wh5 n LYS 18 Cb 0.57 -3.73 -0.00 0.00 0.00 0.00 0.00 35.03 31.86 1wh5 n LYS 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1wh5 s ARG 19 N -0.87 0.47 0.02 1.64 3.52 -1.26 -5.16 118.95 117.30 1wh5 s ARG 19 Ca -0.13 0.18 -0.28 0.00 -0.13 0.00 0.00 55.73 55.37 1wh5 s ARG 19 Cb 0.01 0.14 0.10 0.00 -1.56 0.00 0.00 34.95 33.63 1wh5 s ARG 19 CO 0.34 -0.78 0.97 -1.58 -0.81 0.00 0.00 175.30 173.43 1wh5 s HIS 20 N 2.52 -0.24 -0.21 5.12 2.46 -1.26 -5.15 115.29 118.53 1wh5 s HIS 20 Ca 0.16 0.06 -0.11 0.00 0.47 0.00 0.00 55.06 55.64 1wh5 s HIS 20 Cb -0.05 0.57 -0.05 0.00 -0.13 0.00 0.00 32.58 32.92 1wh5 s HIS 20 CO -0.19 -0.58 0.19 -0.98 -2.47 0.00 0.00 174.74 170.71 1wh5 s ARG 21 N -3.05 4.16 0.23 2.88 3.03 -1.26 -5.09 118.95 119.85 1wh5 s ARG 21 Ca 0.08 -0.15 0.09 0.00 2.03 0.00 0.00 55.73 57.78 1wh5 s ARG 21 Cb -0.01 -3.48 -0.04 0.00 -1.03 0.00 0.00 34.95 30.39 1wh5 s ARG 21 CO -0.05 0.17 -0.05 0.95 -1.13 0.00 0.00 175.30 175.19 1wh5 s THR 22 N 0.72 3.32 -0.44 4.99 -4.23 -1.26 -5.08 115.64 113.66 1wh5 s THR 22 Ca 0.10 -1.82 0.07 0.00 -1.18 0.00 0.00 61.69 58.87 1wh5 s THR 22 Cb -0.13 -2.72 0.24 0.00 1.34 0.00 0.00 72.50 71.24 1wh5 s THR 22 CO 0.02 -0.26 0.69 0.29 -0.54 0.00 0.00 174.62 174.83 1wh5 n LYS 23 N -0.48 0.74 -2.39 3.99 4.76 -1.26 -5.11 118.16 118.40 1wh5 n LYS 23 Ca -0.08 -2.51 -0.43 0.00 -2.87 0.00 0.00 58.31 52.42 1wh5 n LYS 23 Cb 0.57 -1.34 -0.02 0.00 -1.84 0.00 0.00 35.03 32.40 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 -0.26 2.67 0.66 2.13 0.08 -1.26 -5.01 117.98 116.99 1wh5 s PHE 24 Ca 0.34 0.87 -0.06 0.00 0.12 0.00 0.00 56.93 58.20 1wh5 s PHE 24 Cb 0.20 -3.82 0.05 0.00 -0.57 0.00 0.00 43.02 38.87 1wh5 s PHE 24 CO -0.18 -1.83 0.96 -0.08 -0.10 0.00 0.00 175.22 174.00 1wh5 s THR 25 N 4.24 2.61 0.33 0.64 -1.32 -1.26 -4.54 115.64 116.34 1wh5 s THR 25 Ca 0.57 -0.25 0.18 0.00 -1.21 0.00 0.00 61.69 60.98 1wh5 s THR 25 Cb -0.19 -3.10 0.32 0.00 -1.51 0.00 0.00 72.50 68.03 1wh5 s THR 25 CO 0.22 -0.10 1.44 0.00 -2.21 0.00 0.00 174.62 173.96 1wh5 n ALA 26 N -2.79 0.91 -0.00 11.08 0.00 -1.26 0.11 120.51 128.56 1wh5 n ALA 26 Ca 0.07 0.93 0.00 0.00 0.00 0.00 0.00 53.44 54.44 1wh5 n ALA 26 Cb 0.60 -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 -5.08 0.00 -0.24 0.00 2.13 -1.26 0.20 120.64 116.39 1wh5 n GLU 27 Ca 0.34 0.50 0.04 0.00 0.66 0.00 0.00 57.16 58.70 1wh5 n GLU 27 Cb 1.14 -1.43 0.16 0.00 0.27 0.00 0.00 31.44 31.58 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 0.20 0.46 5.31 1.08 -1.19 1.65 115.11 122.62 1wh5 h GLN 28 Ca 0.00 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1wh5 h GLN 28 Cb 0.00 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.38 1wh5 h GLN 28 CO 0.00 0.13 -0.37 0.87 -0.95 0.00 0.00 178.83 178.51 1wh5 h LYS 29 N 0.20 -0.78 -1.01 1.46 1.57 0.78 0.22 116.57 119.01 1wh5 h LYS 29 Ca 0.39 0.05 0.09 0.00 -1.87 0.00 0.00 60.65 59.32 1wh5 h LYS 29 Cb 0.66 0.18 -0.08 0.00 0.08 0.00 0.00 32.23 33.07 1wh5 h LYS 29 CO -0.54 -0.52 0.64 0.93 -0.57 0.00 0.00 179.45 179.40 1wh5 h GLU 30 N -0.81 1.06 -0.16 3.15 5.08 0.63 0.28 114.58 123.81 1wh5 h GLU 30 Ca -0.06 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 1wh5 h GLU 30 Cb 0.68 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1wh5 h GLU 30 CO 0.01 0.70 -0.08 0.00 -1.00 0.00 0.00 179.01 178.64 1wh5 h ARG 31 N 1.09 -0.06 -0.43 2.33 2.47 0.29 0.48 114.38 120.55 1wh5 h ARG 31 Ca 0.47 0.00 -0.10 0.00 -1.26 0.00 0.00 59.98 59.09 1wh5 h ARG 31 Cb 0.34 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1wh5 h ARG 31 CO -0.22 -0.04 -0.12 0.52 0.56 0.00 0.00 179.97 180.67 1wh5 h MET 32 N -0.06 0.84 -0.36 0.04 2.86 0.36 -0.83 114.93 117.78 1wh5 h MET 32 Ca 0.09 -0.33 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1wh5 h MET 32 Cb 0.19 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 1wh5 h MET 32 CO -0.20 0.96 0.18 -0.07 1.06 0.00 0.00 176.91 178.84 1wh5 h LEU 33 N 0.66 0.26 -1.27 1.22 3.38 -0.01 1.53 115.31 121.09 1wh5 h LEU 33 Ca 0.11 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.04 1wh5 h LEU 33 Cb 0.66 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 1wh5 h LEU 33 CO 0.05 0.20 -0.09 0.00 0.09 0.00 0.00 178.44 178.68 1wh5 h ALA 34 N 1.19 1.40 0.09 1.53 0.00 0.06 0.57 119.26 124.09 1wh5 h ALA 34 Ca 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1wh5 h ALA 34 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1wh5 h ALA 34 CO -0.11 0.41 -0.04 1.25 0.00 0.00 0.00 179.25 180.77 1wh5 h LEU 35 N 0.37 -0.10 -0.74 0.00 5.85 0.31 -1.92 115.31 119.07 1wh5 h LEU 35 Ca 0.08 -0.49 0.12 0.00 0.84 0.00 0.00 57.88 58.42 1wh5 h LEU 35 Cb 0.39 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.36 1wh5 h LEU 35 CO 0.02 0.49 0.35 0.00 -0.34 0.00 0.00 178.44 178.96 1wh5 h ALA 36 N 0.02 1.05 0.00 1.25 0.00 0.23 1.28 119.26 123.09 1wh5 h ALA 36 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wh5 h ALA 36 Cb 0.58 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1wh5 h ALA 36 CO 0.02 -0.10 0.00 0.39 0.00 0.00 0.00 179.25 179.56 1wh5 n GLU 37 N -4.91 0.14 -0.13 0.00 1.02 0.17 0.19 120.64 117.13 1wh5 n GLU 37 Ca 0.13 0.13 -0.28 0.00 -0.02 0.00 0.00 57.16 57.12 1wh5 n GLU 37 Cb 0.34 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.16 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 0.58 0.05 3.49 0.63 0.33 -4.55 116.66 115.80 1wh5 n ARG 38 Ca 0.07 0.31 -0.12 0.00 -0.92 0.00 0.00 57.85 57.19 1wh5 n ARG 38 Cb 0.19 -1.53 -0.13 0.00 0.45 0.00 0.00 32.46 31.44 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 1.34 0.00 5.15 3.07 0.11 -3.48 117.51 122.71 1wh5 h ILE 39 Ca -0.64 -3.03 0.00 0.00 1.55 0.00 0.00 64.86 62.74 1wh5 h ILE 39 Cb 1.56 2.76 0.00 0.00 -0.27 0.00 0.00 36.82 40.87 1wh5 h ILE 39 CO -0.39 0.83 0.00 0.61 -1.05 0.00 0.00 178.15 178.15 1wh5 n GLY 40 N 1.52 1.98 3.70 0.16 0.00 0.52 -4.47 105.19 108.60 1wh5 n GLY 40 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.61 -2.71 -3.90 1.61 7.02 0.20 -4.96 117.44 114.08 1wh5 n TRP 41 Ca 0.00 0.98 -0.10 0.00 -1.02 0.00 0.00 57.50 57.36 1wh5 n TRP 41 Cb 0.00 -4.70 -0.10 0.00 -2.42 0.00 0.00 31.31 24.09 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 -6.42 0.48 0.01 -0.99 3.52 -1.26 -4.91 118.95 109.38 1wh5 s ARG 42 Ca 0.62 -0.52 0.06 0.00 -0.13 0.00 0.00 55.73 55.76 1wh5 s ARG 42 Cb -0.28 0.19 -0.03 0.00 -1.56 0.00 0.00 34.95 33.27 1wh5 s ARG 42 CO 0.76 -0.11 -0.19 0.42 -0.81 0.00 0.00 175.30 175.37 1wh5 s ILE 43 N -1.70 2.70 0.25 4.11 1.01 -1.26 -4.86 121.20 121.46 1wh5 s ILE 43 Ca -0.13 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.29 1wh5 s ILE 43 Cb -0.06 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.33 1wh5 s ILE 43 CO -0.00 0.45 0.59 -1.10 0.00 0.00 0.00 174.94 174.88 1wh5 s GLN 44 N -1.10 1.63 0.54 2.79 -0.21 -1.26 -5.01 119.66 117.03 1wh5 s GLN 44 Ca 0.13 -1.07 0.36 0.00 0.02 0.00 0.00 55.36 54.79 1wh5 s GLN 44 Cb -0.10 0.54 1.72 0.00 1.00 0.00 0.00 33.01 36.16 1wh5 s GLN 44 CO 0.03 -0.71 2.07 0.07 -2.12 0.00 0.00 175.29 174.62 1wh5 h ARG 45 N 2.13 0.00 0.00 2.91 -0.00 -2.00 0.23 114.38 117.66 1wh5 h ARG 45 Ca -0.23 0.00 -0.03 0.00 -0.00 0.00 0.00 59.98 59.71 1wh5 h ARG 45 Cb 1.25 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.22 1wh5 h ARG 45 CO 0.30 0.00 -0.18 1.96 -0.00 0.00 0.00 179.97 182.05 1wh5 h GLN 46 N 0.00 0.00 0.00 0.08 1.08 -2.02 -3.30 115.11 110.95 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 0.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1wh5 h GLN 46 CO 0.00 0.81 0.00 -0.44 -0.95 0.00 0.00 178.83 178.25 1wh5 h ASP 47 N -1.00 0.00 -0.98 1.46 5.19 -1.89 -3.21 116.42 115.99 1wh5 h ASP 47 Ca -0.05 0.00 0.14 0.00 -0.62 0.00 0.00 57.03 56.51 1wh5 h ASP 47 Cb 0.87 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.22 1wh5 h ASP 47 CO -0.03 0.00 -0.41 0.44 -3.12 0.00 0.00 179.24 176.12 1wh5 h ASP 48 N 0.00 -1.52 -0.92 6.45 5.19 -0.62 1.81 116.42 126.80 1wh5 h ASP 48 Ca 0.00 0.31 0.26 0.00 -0.62 0.00 0.00 57.03 56.98 1wh5 h ASP 48 Cb 0.47 0.78 -0.14 0.00 0.18 0.00 0.00 39.33 40.62 1wh5 h ASP 48 CO 0.00 -0.28 0.36 -0.33 -3.12 0.00 0.00 179.24 175.87 1wh5 h GLU 49 N -0.01 0.28 0.15 3.56 5.08 -1.76 1.27 114.58 123.15 1wh5 h GLU 49 Ca 0.32 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 58.36 1wh5 h GLU 49 Cb 0.57 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 29.79 1wh5 h GLU 49 CO -0.97 0.18 -1.30 0.28 -1.00 0.00 0.00 179.01 176.20 1wh5 h VAL 50 N 0.28 1.30 0.00 3.13 2.07 0.18 -2.41 116.25 120.80 1wh5 h VAL 50 Ca 0.61 -2.56 0.00 0.00 0.82 0.00 0.00 66.70 65.57 1wh5 h VAL 50 Cb 1.26 2.78 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 1wh5 h VAL 50 CO -0.62 0.77 0.00 -0.38 0.02 0.00 0.00 177.57 177.37 1wh5 n ILE 51 N -3.76 0.00 -0.32 4.57 2.08 0.50 0.19 119.36 122.63 1wh5 n ILE 51 Ca -0.14 1.38 0.30 0.00 0.56 0.00 0.00 62.75 64.84 1wh5 n ILE 51 Cb 1.01 -2.37 0.64 0.00 -0.75 0.00 0.00 39.64 38.18 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 0.17 0.15 0.38 4.20 0.12 1.00 115.11 121.13 1wh5 h GLN 52 Ca 0.00 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1wh5 h GLN 52 Cb 0.00 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.74 1wh5 h GLN 52 CO 0.00 0.11 -0.07 -0.09 -0.67 0.00 0.00 178.83 178.11 1wh5 h ARG 53 N 0.17 -0.20 -0.37 1.46 9.65 -1.21 -3.12 114.38 120.76 1wh5 h ARG 53 Ca 0.58 0.01 0.11 0.00 -1.10 0.00 0.00 59.98 59.58 1wh5 h ARG 53 Cb 1.91 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 30.52 1wh5 h ARG 53 CO -0.14 0.24 0.34 0.35 2.80 0.00 0.00 179.97 183.56 1wh5 h PHE 54 N -0.81 0.00 0.00 2.20 3.04 0.43 1.50 116.94 123.30 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 0.53 0.00 0.00 0.00 2.56 0.00 0.00 35.95 39.04 1wh5 h PHE 54 CO 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 178.31 176.38 1wh5 n GLN 56 N -1.66 0.64 0.03 0.00 6.02 0.51 -0.83 117.38 122.09 1wh5 n GLN 56 Ca 0.05 0.30 -0.15 0.00 -0.01 0.00 0.00 57.00 57.19 1wh5 n GLN 56 Cb 0.27 -1.79 -0.14 0.00 1.02 0.00 0.00 30.24 29.60 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 0.00 0.18 0.00 -1.09 4.11 -1.15 -3.40 114.58 113.24 1wh5 h GLU 57 Ca -0.29 -0.31 -0.26 0.00 0.07 0.00 0.00 59.36 58.56 1wh5 h GLU 57 Cb 2.02 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 31.34 1wh5 h GLU 57 CO 0.08 0.99 -1.58 0.25 0.07 0.00 0.00 179.01 178.82 1wh5 n THR 58 N -3.36 1.51 0.00 -1.06 -2.24 -0.07 -5.01 114.28 104.05 1wh5 n THR 58 Ca -0.18 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1wh5 n THR 58 Cb 1.04 -2.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.21 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 1.40 0.65 3.77 3.38 0.00 -0.01 -5.04 105.19 109.33 1wh5 n GLY 59 Ca -0.35 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 3.50 0.36 1.61 1.01 -1.25 -4.98 120.40 118.64 1wh5 s VAL 60 Ca 0.00 1.35 -0.26 0.00 0.00 0.00 0.00 61.98 63.07 1wh5 s VAL 60 Cb 0.00 -3.80 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1wh5 s VAL 60 CO 0.00 0.21 1.06 -2.16 0.00 0.00 0.00 175.10 174.21 1wh5 s PRO 61 N -1.91 4.32 0.12 2.72 0.04 -1.26 -4.58 135.00 134.45 1wh5 s PRO 61 Ca 0.51 1.61 -0.30 0.00 0.04 0.00 0.00 61.00 62.85 1wh5 s PRO 61 Cb -0.29 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.41 1wh5 s PRO 61 CO 0.37 -0.02 1.59 -0.09 0.04 0.00 0.00 177.00 178.88 1wh5 h ARG 62 N 2.94 -0.56 -1.34 4.56 2.43 -1.96 0.44 114.38 120.90 1wh5 h ARG 62 Ca -0.48 0.04 0.39 0.00 -0.81 0.00 0.00 59.98 59.12 1wh5 h ARG 62 Cb 1.21 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.82 1wh5 h ARG 62 CO 0.64 -0.37 0.94 0.37 -1.51 0.00 0.00 179.97 180.03 1wh5 h GLN 63 N -0.58 0.07 0.00 0.20 4.15 -1.98 0.86 115.11 117.83 1wh5 h GLN 63 Ca 0.04 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1wh5 h GLN 63 Cb 0.65 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1wh5 h GLN 63 CO -0.30 0.05 -0.00 0.28 -1.93 0.00 0.00 178.83 176.92 1wh5 h VAL 64 N 0.07 1.52 -0.11 2.39 2.07 -1.10 -2.07 116.25 119.03 1wh5 h VAL 64 Ca 0.68 -2.09 0.03 0.00 0.82 0.00 0.00 66.70 66.14 1wh5 h VAL 64 Cb 2.48 2.85 -0.00 0.00 -1.52 0.00 0.00 31.29 35.10 1wh5 h VAL 64 CO -0.11 0.51 0.17 0.25 0.02 0.00 0.00 177.57 178.41 1wh5 h LEU 65 N -0.97 0.00 0.01 2.57 7.12 0.36 1.08 115.31 125.48 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 0.84 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.97 1wh5 h LEU 65 CO 0.00 0.00 -0.01 0.50 -0.13 0.00 0.00 178.44 178.80 1wh5 h LYS 66 N 0.00 -0.02 -0.51 1.25 3.64 0.50 -3.24 116.57 118.19 1wh5 h LYS 66 Ca 0.05 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1wh5 h LYS 66 Cb 0.39 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.14 1wh5 h LYS 66 CO -0.00 -0.01 0.10 -0.39 -2.27 0.00 0.00 179.45 176.87 1wh5 h VAL 67 N -0.23 0.70 -0.73 2.00 -1.51 -1.08 -1.90 116.25 113.51 1wh5 h VAL 67 Ca -0.00 -0.08 0.07 0.00 -1.23 0.00 0.00 66.70 65.45 1wh5 h VAL 67 Cb 0.01 0.45 -0.09 0.00 -2.13 0.00 0.00 31.29 29.54 1wh5 h VAL 67 CO 0.00 0.04 -0.43 1.87 -1.23 0.00 0.00 177.57 177.82 1wh5 n TRP 68 N -5.12 -0.32 -0.16 5.19 -0.00 0.37 0.25 117.44 117.65 1wh5 n TRP 68 Ca 0.06 0.91 -0.07 0.00 -0.00 0.00 0.00 57.50 58.40 1wh5 n TRP 68 Cb 0.25 -0.55 -0.01 0.00 -0.00 0.00 0.00 31.31 31.00 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 -1.18 -1.54 5.87 3.38 -1.37 0.82 115.31 121.28 1wh5 h LEU 69 Ca 0.12 0.21 0.06 0.00 0.09 0.00 0.00 57.88 58.36 1wh5 h LEU 69 Cb 0.30 0.56 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 1wh5 h LEU 69 CO -0.69 -0.32 0.39 -0.74 0.09 0.00 0.00 178.44 177.17 1wh5 h HIS 70 N -0.22 0.56 0.00 1.13 2.76 0.11 1.68 115.15 121.17 1wh5 h HIS 70 Ca 0.19 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 1wh5 h HIS 70 Cb 0.55 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.32 1wh5 h HIS 70 CO -0.60 0.30 0.00 0.09 -1.30 0.00 0.00 177.93 176.42 1wh5 n ASN 71 N -4.47 0.73 0.00 3.26 3.02 0.69 -4.51 115.26 113.97 1wh5 n ASN 71 Ca 0.08 0.66 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 1wh5 n ASN 71 Cb 0.23 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 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 -2.29 0.00 -3.87 6.41 3.02 0.21 -5.01 115.26 113.73 1wh5 n ASN 72 Ca 0.02 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.25 1wh5 n ASN 72 Cb 0.26 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.44 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 -0.05 -0.67 -1.50 3.52 5.02 0.51 -4.39 118.16 120.61 1wh5 n LYS 73 Ca 0.00 0.18 -0.40 0.00 -2.02 0.00 0.00 58.31 56.07 1wh5 n LYS 73 Cb 0.00 -1.81 -0.15 0.00 -0.02 0.00 0.00 35.03 33.04 1wh5 n LYS 73 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1wh5 n HIS 74 N -3.62 0.55 -4.66 2.13 8.25 -1.26 -4.84 115.22 111.77 1wh5 n HIS 74 Ca -0.15 0.35 -0.30 0.00 -0.26 0.00 0.00 57.72 57.36 1wh5 n HIS 74 Cb 0.50 -2.28 -0.08 0.00 1.12 0.00 0.00 29.99 29.24 1wh5 n HIS 74 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wh5 s SER 75 N 8.59 3.65 0.00 0.41 0.01 -1.26 -5.15 113.70 119.94 1wh5 s SER 75 Ca 1.35 -1.61 0.00 0.00 1.31 0.00 0.00 55.95 57.00 1wh5 s SER 75 Cb -1.21 0.37 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1wh5 s SER 75 CO 0.49 -0.81 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wh5 n GLY 76 N -1.10 0.81 3.60 3.44 0.00 -1.26 -4.87 105.19 105.81 1wh5 n GLY 76 Ca -0.13 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.59 -0.42 1.61 0.04 -1.26 -4.91 135.00 133.66 1wh5 s PRO 77 Ca 0.00 0.96 0.07 0.00 0.04 0.00 0.00 61.00 62.07 1wh5 s PRO 77 Cb 0.00 -4.02 0.18 0.00 0.04 0.00 0.00 34.50 30.70 1wh5 s PRO 77 CO 0.00 -1.54 0.61 -1.12 0.04 0.00 0.00 177.00 174.99 1wh5 s SER 78 N 3.89 -1.24 0.13 6.66 0.01 -1.26 -5.15 113.70 116.74 1wh5 s SER 78 Ca 0.61 -0.97 -0.25 0.00 1.31 0.00 0.00 55.95 56.65 1wh5 s SER 78 Cb -0.14 1.80 0.08 0.00 0.21 0.00 0.00 66.02 67.97 1wh5 s SER 78 CO 0.32 -0.17 1.05 -0.55 0.41 0.00 0.00 173.24 174.30 1wh5 s SER 79 N 1.70 -0.10 0.00 2.44 0.15 -1.26 -5.12 113.70 111.50 1wh5 s SER 79 Ca 0.18 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.40 1wh5 s SER 79 Cb -0.05 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 1wh5 s SER 79 CO -0.06 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.18