#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 6.06 -0.52 1.61 0.15 -1.26 -5.00 113.70 114.74 1wh5 s SER 2 Ca 0.00 -1.47 0.04 0.00 0.70 0.00 0.00 55.95 55.22 1wh5 s SER 2 Cb 0.00 -2.15 0.14 0.00 -1.71 0.00 0.00 66.02 62.30 1wh5 s SER 2 CO 0.00 -0.67 0.30 -0.44 1.20 0.00 0.00 173.24 173.63 1wh5 s SER 3 N 2.72 4.03 -0.11 5.45 0.01 -1.26 -5.08 113.70 119.47 1wh5 s SER 3 Ca 0.04 -3.04 0.03 0.00 1.31 0.00 0.00 55.95 54.29 1wh5 s SER 3 Cb -0.25 -1.37 0.01 0.00 0.21 0.00 0.00 66.02 64.62 1wh5 s SER 3 CO 0.05 -0.21 -0.21 -0.83 0.41 0.00 0.00 173.24 172.45 1wh5 s GLY 4 N -0.27 1.23 0.47 3.44 0.00 -1.26 -5.03 107.32 105.90 1wh5 s GLY 4 Ca 0.19 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.02 1wh5 s GLY 4 CO -0.04 -0.10 0.00 -1.26 0.00 0.00 0.00 173.10 171.70 1wh5 n SER 5 N 3.81 -7.21 -4.34 1.64 2.88 -1.26 -4.62 113.62 104.52 1wh5 n SER 5 Ca -0.20 1.31 -0.61 0.00 -1.33 0.00 0.00 58.87 58.04 1wh5 n SER 5 Cb 0.52 -3.97 -0.12 0.00 -0.75 0.00 0.00 64.21 59.89 1wh5 n SER 5 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1wh5 n SER 6 N -1.69 0.87 0.00 -3.46 3.41 -1.26 -4.86 113.62 106.64 1wh5 n SER 6 Ca 0.00 0.76 0.00 0.00 -0.26 0.00 0.00 58.87 59.37 1wh5 n SER 6 Cb 0.21 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1wh5 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wh5 n GLY 7 N 6.87 0.63 2.25 5.00 0.00 -1.26 -5.09 105.19 113.60 1wh5 n GLY 7 Ca 0.50 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.51 1wh5 n GLY 7 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wh5 n SER 8 N 0.00 -5.54 -3.07 1.61 2.88 -1.26 -5.04 113.62 103.20 1wh5 n SER 8 Ca 0.00 1.43 -0.11 0.00 -1.33 0.00 0.00 58.87 58.86 1wh5 n SER 8 Cb 0.00 -4.62 -0.03 0.00 -0.75 0.00 0.00 64.21 58.81 1wh5 n SER 8 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wh5 s SER 9 N -0.53 -0.34 -0.13 -3.46 0.01 -1.26 -5.12 113.70 102.87 1wh5 s SER 9 Ca -0.09 -1.93 0.02 0.00 1.31 0.00 0.00 55.95 55.25 1wh5 s SER 9 Cb 0.01 1.12 0.01 0.00 0.21 0.00 0.00 66.02 67.37 1wh5 s SER 9 CO 0.25 -0.13 -0.18 0.00 0.41 0.00 0.00 173.24 173.59 1wh5 s ALA 10 N 0.87 1.97 -0.12 1.44 0.00 -1.26 -5.01 121.76 119.64 1wh5 s ALA 10 Ca 0.27 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 51.17 1wh5 s ALA 10 Cb -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 23.12 22.11 1wh5 s ALA 10 CO -0.08 -0.11 -0.27 0.39 0.00 0.00 0.00 175.76 175.69 1wh5 n GLU 11 N 4.24 0.41 -2.63 0.00 1.02 -1.26 -5.03 120.64 117.39 1wh5 n GLU 11 Ca -0.19 0.16 -0.25 0.00 -0.02 0.00 0.00 57.16 56.86 1wh5 n GLU 11 Cb 0.51 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.74 1wh5 n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wh5 s ALA 12 N -2.66 3.47 0.00 0.62 0.00 -1.26 -5.10 121.76 116.83 1wh5 s ALA 12 Ca -0.23 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1wh5 s ALA 12 Cb 0.04 -2.44 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1wh5 s ALA 12 CO 0.33 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.90 1wh5 n GLY 13 N -2.37 1.03 0.00 0.00 0.00 -1.26 -5.09 105.19 97.51 1wh5 n GLY 13 Ca 0.03 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.65 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 5.00 0.26 0.00 -0.02 0.00 -1.26 -5.14 105.19 104.03 1wh5 n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.83 3.85 3.55 -0.02 0.00 -1.26 -5.00 105.19 109.13 1wh5 n GLY 15 Ca 0.00 -1.17 -0.40 0.00 0.00 0.00 0.00 46.02 44.45 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 3.72 -0.35 -0.61 1.01 -1.26 -4.87 121.20 118.84 1wh5 s ILE 16 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.77 1wh5 s ILE 16 Cb 0.00 -4.81 0.17 0.00 0.01 0.00 0.00 42.46 37.83 1wh5 s ILE 16 CO 0.00 -1.74 0.47 -0.60 0.00 0.00 0.00 174.94 173.07 1wh5 s ARG 17 N 5.75 0.61 -1.12 2.79 3.52 -1.26 -5.06 118.95 124.18 1wh5 s ARG 17 Ca 0.43 -0.28 -0.08 0.00 -0.13 0.00 0.00 55.73 55.66 1wh5 s ARG 17 Cb -0.07 -0.30 0.28 0.00 -1.56 0.00 0.00 34.95 33.31 1wh5 s ARG 17 CO 0.09 -1.13 1.25 1.63 -0.81 0.00 0.00 175.30 176.32 1wh5 n LYS 18 N 4.73 3.80 -3.33 5.12 4.01 -1.26 -4.91 118.16 126.32 1wh5 n LYS 18 Ca 0.07 -4.44 -0.06 0.00 -0.51 0.00 0.00 58.31 53.38 1wh5 n LYS 18 Cb 0.50 -2.57 -0.06 0.00 -0.51 0.00 0.00 35.03 32.39 1wh5 n LYS 18 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1wh5 s ARG 19 N -1.54 0.41 -0.30 1.97 3.52 -1.26 -5.12 118.95 116.62 1wh5 s ARG 19 Ca 0.32 0.71 -0.11 0.00 -0.13 0.00 0.00 55.73 56.51 1wh5 s ARG 19 Cb -0.05 -0.14 0.18 0.00 -1.56 0.00 0.00 34.95 33.38 1wh5 s ARG 19 CO -0.02 -0.60 0.93 -1.58 -0.81 0.00 0.00 175.30 173.22 1wh5 s HIS 20 N 2.64 -0.81 0.11 5.12 2.46 -1.26 -5.14 115.29 118.41 1wh5 s HIS 20 Ca 0.13 0.99 -0.31 0.00 0.47 0.00 0.00 55.06 56.34 1wh5 s HIS 20 Cb -0.15 0.33 -0.09 0.00 -0.13 0.00 0.00 32.58 32.54 1wh5 s HIS 20 CO -0.17 -0.43 1.61 -0.98 -2.47 0.00 0.00 174.74 172.30 1wh5 s ARG 21 N 2.81 4.21 0.23 2.88 1.70 -1.26 -5.00 118.95 124.52 1wh5 s ARG 21 Ca 0.03 2.33 0.09 0.00 -0.47 0.00 0.00 55.73 57.72 1wh5 s ARG 21 Cb -0.10 -3.42 -0.04 0.00 -0.57 0.00 0.00 34.95 30.81 1wh5 s ARG 21 CO -0.15 -0.67 -0.06 0.95 -1.08 0.00 0.00 175.30 174.29 1wh5 s THR 22 N 2.03 3.25 -0.45 4.99 -4.23 -1.26 -5.08 115.64 114.89 1wh5 s THR 22 Ca 0.72 -1.85 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 1wh5 s THR 22 Cb -0.41 -2.68 0.26 0.00 1.34 0.00 0.00 72.50 71.01 1wh5 s THR 22 CO 0.32 -0.27 0.79 0.29 -0.54 0.00 0.00 174.62 175.21 1wh5 n LYS 23 N -0.48 0.80 -2.25 3.99 4.76 -1.26 -5.07 118.16 118.65 1wh5 n LYS 23 Ca -0.08 -2.31 -0.43 0.00 -2.87 0.00 0.00 58.31 52.62 1wh5 n LYS 23 Cb 0.58 -1.36 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 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 -0.13 2.40 0.65 2.13 0.08 -1.26 -5.00 117.98 116.84 1wh5 s PHE 24 Ca 0.32 0.68 0.00 0.00 0.12 0.00 0.00 56.93 58.06 1wh5 s PHE 24 Cb 0.23 -3.86 0.08 0.00 -0.57 0.00 0.00 43.02 38.90 1wh5 s PHE 24 CO -0.17 -2.46 0.90 -0.08 -0.10 0.00 0.00 175.22 173.30 1wh5 s THR 25 N 4.50 2.36 0.29 0.64 -1.32 -1.26 -4.52 115.64 116.33 1wh5 s THR 25 Ca 0.64 -0.62 0.09 0.00 -1.21 0.00 0.00 61.69 60.59 1wh5 s THR 25 Cb -0.23 -2.73 0.34 0.00 -1.51 0.00 0.00 72.50 68.36 1wh5 s THR 25 CO 0.25 0.00 1.36 0.00 -2.21 0.00 0.00 174.62 174.02 1wh5 n ALA 26 N -2.62 0.65 -0.14 11.08 0.00 -1.26 0.18 120.51 128.41 1wh5 n ALA 26 Ca 0.12 0.91 0.00 0.00 0.00 0.00 0.00 53.44 54.46 1wh5 n ALA 26 Cb 0.60 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.28 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 -5.11 0.00 -0.24 0.00 2.13 -1.26 0.47 120.64 116.63 1wh5 n GLU 27 Ca 0.26 0.43 0.05 0.00 0.66 0.00 0.00 57.16 58.56 1wh5 n GLU 27 Cb 0.88 -1.38 0.16 0.00 0.27 0.00 0.00 31.44 31.37 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 0.19 0.52 5.31 1.08 -1.29 1.54 115.11 122.46 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 -0.41 0.87 -0.95 0.00 0.00 178.83 178.47 1wh5 h LYS 29 N 0.20 -0.86 -0.89 1.46 1.57 0.19 0.34 116.57 118.58 1wh5 h LYS 29 Ca 0.40 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.33 1wh5 h LYS 29 Cb 0.68 0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.12 1wh5 h LYS 29 CO -0.55 -0.58 0.54 0.93 -0.57 0.00 0.00 179.45 179.22 1wh5 h GLU 30 N -0.90 0.88 0.47 3.15 5.08 0.99 0.50 114.58 124.76 1wh5 h GLU 30 Ca -0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1wh5 h GLU 30 Cb 0.75 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1wh5 h GLU 30 CO 0.01 0.58 -0.42 0.00 -1.00 0.00 0.00 179.01 178.18 1wh5 h ARG 31 N 0.91 -0.86 -0.31 2.33 2.47 0.26 1.06 114.38 120.23 1wh5 h ARG 31 Ca 0.42 0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 59.19 1wh5 h ARG 31 Cb 0.34 0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.84 1wh5 h ARG 31 CO -0.23 -0.58 0.18 0.52 0.56 0.00 0.00 179.97 180.42 1wh5 h MET 32 N -0.90 0.43 -0.70 0.04 2.86 0.15 0.65 114.93 117.47 1wh5 h MET 32 Ca -0.05 -0.05 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1wh5 h MET 32 Cb 0.78 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.31 1wh5 h MET 32 CO -0.04 0.36 0.42 -0.07 1.06 0.00 0.00 176.91 178.65 1wh5 h LEU 33 N 0.39 0.68 -1.59 1.22 3.38 0.20 1.63 115.31 121.21 1wh5 h LEU 33 Ca 0.11 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1wh5 h LEU 33 Cb 0.05 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1wh5 h LEU 33 CO -0.02 0.46 -0.19 0.00 0.09 0.00 0.00 178.44 178.78 1wh5 h ALA 34 N 1.32 1.23 0.00 1.53 0.00 0.16 -0.69 119.26 122.81 1wh5 h ALA 34 Ca 0.29 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1wh5 h ALA 34 Cb 0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wh5 h ALA 34 CO -0.13 0.24 -0.27 1.25 0.00 0.00 0.00 179.25 180.33 1wh5 h LEU 35 N 0.00 0.00 -1.57 0.00 5.85 0.16 -3.13 115.31 116.62 1wh5 h LEU 35 Ca -0.00 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.10 1wh5 h LEU 35 Cb 0.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1wh5 h LEU 35 CO 0.03 0.97 0.04 0.00 -0.34 0.00 0.00 178.44 179.14 1wh5 h ALA 36 N -0.38 1.03 -0.00 1.25 0.00 0.23 1.01 119.26 122.40 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 0.81 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1wh5 h ALA 36 CO -0.04 -0.03 -0.50 0.39 0.00 0.00 0.00 179.25 179.07 1wh5 n GLU 37 N -2.35 0.31 -0.00 0.00 1.02 -0.27 0.85 120.64 120.20 1wh5 n GLU 37 Ca -0.02 -0.20 0.07 0.00 -0.02 0.00 0.00 57.16 56.99 1wh5 n GLU 37 Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.17 0.99 -0.05 3.49 -4.01 0.33 -4.54 116.66 111.70 1wh5 n ARG 38 Ca 0.07 -0.09 -0.06 0.00 -1.04 0.00 0.00 57.85 56.73 1wh5 n ARG 38 Cb 0.35 -1.29 -0.07 0.00 -3.04 0.00 0.00 32.46 28.40 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 -1.81 0.69 0.00 8.89 -5.35 -0.23 -5.02 119.36 116.53 1wh5 n ILE 39 Ca -0.01 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 1wh5 n ILE 39 Cb 0.33 -0.77 0.00 0.00 -1.74 0.00 0.00 39.64 37.46 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 2.48 1.78 3.37 3.28 0.00 0.03 -4.42 105.19 111.70 1wh5 n GLY 40 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.96 -2.56 -3.94 1.61 7.02 0.25 -4.99 117.44 113.88 1wh5 n TRP 41 Ca 0.00 0.91 -0.10 0.00 -1.02 0.00 0.00 57.50 57.29 1wh5 n TRP 41 Cb 0.00 -4.64 -0.10 0.00 -2.42 0.00 0.00 31.31 24.15 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 -6.12 0.49 -0.02 -0.99 3.52 -1.26 -4.90 118.95 109.67 1wh5 s ARG 42 Ca 0.50 -0.67 0.08 0.00 -0.13 0.00 0.00 55.73 55.51 1wh5 s ARG 42 Cb -0.22 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1wh5 s ARG 42 CO 0.65 -0.11 -0.25 0.42 -0.81 0.00 0.00 175.30 175.20 1wh5 s ILE 43 N -2.10 1.99 0.20 4.11 1.09 -1.26 -4.86 121.20 120.37 1wh5 s ILE 43 Ca -0.09 -1.08 0.01 0.00 -1.10 0.00 0.00 60.65 58.38 1wh5 s ILE 43 Cb -0.04 -1.65 -0.00 0.00 -1.06 0.00 0.00 42.46 39.70 1wh5 s ILE 43 CO -0.03 0.56 0.24 0.00 -0.10 0.00 0.00 174.94 175.61 1wh5 n GLN 44 N 2.44 0.34 -0.01 2.79 6.02 -1.26 -5.02 117.38 122.69 1wh5 n GLN 44 Ca -0.16 -1.72 0.13 0.00 -0.01 0.00 0.00 57.00 55.25 1wh5 n GLN 44 Cb 0.51 1.55 0.72 0.00 1.02 0.00 0.00 30.24 34.04 1wh5 n GLN 44 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1wh5 n ARG 45 N -0.34 1.15 -0.13 -1.09 0.00 -1.26 -2.31 116.66 112.68 1wh5 n ARG 45 Ca 0.02 -0.22 -0.18 0.00 -0.00 0.00 0.00 57.85 57.47 1wh5 n ARG 45 Cb 0.34 -1.42 -0.12 0.00 0.00 0.00 0.00 32.46 31.26 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 -0.67 0.65 0.03 -0.14 6.02 -1.26 -4.29 117.38 117.73 1wh5 n GLN 46 Ca 0.19 0.15 0.13 0.00 -0.01 0.00 0.00 57.00 57.47 1wh5 n GLN 46 Cb 0.14 -1.53 0.42 0.00 1.02 0.00 0.00 30.24 30.30 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 -3.27 0.40 -0.33 1.08 8.00 -1.22 -3.88 116.55 117.34 1wh5 n ASP 47 Ca -0.46 0.30 0.21 0.00 0.71 0.00 0.00 54.79 55.55 1wh5 n ASP 47 Cb 0.99 -0.30 0.40 0.00 -0.02 0.00 0.00 41.12 42.19 1wh5 n ASP 47 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1wh5 h ASP 48 N 0.00 -0.07 -0.49 -2.24 5.19 -1.64 1.87 116.42 119.03 1wh5 h ASP 48 Ca 0.00 0.25 -0.01 0.00 -0.62 0.00 0.00 57.03 56.66 1wh5 h ASP 48 Cb 0.59 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 40.44 1wh5 h ASP 48 CO 0.00 -0.34 0.28 -0.33 -3.12 0.00 0.00 179.24 175.73 1wh5 h GLU 49 N 0.06 0.68 -0.17 3.56 5.08 -1.86 0.70 114.58 122.63 1wh5 h GLU 49 Ca 0.68 -0.07 -0.15 0.00 -1.00 0.00 0.00 59.36 58.82 1wh5 h GLU 49 Cb 1.58 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1wh5 h GLU 49 CO -0.81 0.52 -0.54 0.28 -1.00 0.00 0.00 179.01 177.46 1wh5 h VAL 50 N 0.65 1.33 0.52 3.13 2.07 0.18 0.15 116.25 124.28 1wh5 h VAL 50 Ca 0.17 -1.79 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 1wh5 h VAL 50 Cb 0.03 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1wh5 h VAL 50 CO -0.03 0.55 -0.25 0.40 0.02 0.00 0.00 177.57 178.26 1wh5 h ILE 51 N 0.38 0.35 0.00 4.57 1.08 0.27 1.46 117.51 125.62 1wh5 h ILE 51 Ca 0.01 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 1wh5 h ILE 51 Cb 1.06 0.48 -0.00 0.00 -3.07 0.00 0.00 36.82 35.29 1wh5 h ILE 51 CO 0.10 0.05 -0.10 1.56 -0.69 0.00 0.00 178.15 179.07 1wh5 h GLN 52 N -0.99 0.00 0.12 2.37 4.20 0.38 -2.11 115.11 119.08 1wh5 h GLN 52 Ca -0.07 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.46 1wh5 h GLN 52 Cb 0.62 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.42 1wh5 h GLN 52 CO 0.12 0.10 -0.77 -0.09 -0.67 0.00 0.00 178.83 177.52 1wh5 h ARG 53 N 0.00 0.32 -0.91 1.46 9.65 -0.50 -3.30 114.38 121.10 1wh5 h ARG 53 Ca -0.00 -0.50 0.13 0.00 -1.10 0.00 0.00 59.98 58.51 1wh5 h ARG 53 Cb 0.21 0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 28.90 1wh5 h ARG 53 CO 0.01 1.22 0.59 0.35 2.80 0.00 0.00 179.97 184.94 1wh5 h PHE 54 N -0.33 0.93 0.00 2.20 3.04 0.25 0.98 116.94 124.00 1wh5 h PHE 54 Ca -0.13 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.85 1wh5 h PHE 54 Cb 1.58 -0.29 0.00 0.00 2.56 0.00 0.00 35.95 39.80 1wh5 h PHE 54 CO 0.19 0.37 0.00 0.00 -2.02 0.00 0.00 178.31 176.85 1wh5 h GLN 56 N 0.00 0.00 0.00 0.00 -0.00 0.90 -1.17 115.11 114.84 1wh5 h GLN 56 Ca 0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 1wh5 h GLN 56 Cb 0.18 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.62 1wh5 h GLN 56 CO 0.00 0.28 -1.87 -0.85 -0.00 0.00 0.00 178.83 176.39 1wh5 n GLU 57 N -2.90 0.65 -0.01 0.06 0.28 0.12 -4.74 120.64 114.10 1wh5 n GLU 57 Ca -0.07 0.08 -0.01 0.00 -0.16 0.00 0.00 57.16 56.99 1wh5 n GLU 57 Cb 0.80 -1.66 -0.00 0.00 1.43 0.00 0.00 31.44 32.00 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 -2.74 0.44 0.00 3.84 -2.24 0.20 -5.05 114.28 108.72 1wh5 n THR 58 Ca -0.17 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1wh5 n THR 58 Cb 0.92 -1.47 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 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 2.53 0.82 3.77 3.38 0.00 -0.44 -5.01 105.19 110.24 1wh5 n GLY 59 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.77 3.52 0.27 1.61 1.01 -1.26 -4.98 120.40 118.78 1wh5 s VAL 60 Ca 0.00 1.33 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 1wh5 s VAL 60 Cb 0.00 -3.77 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1wh5 s VAL 60 CO 0.00 0.17 1.09 -2.16 0.00 0.00 0.00 175.10 174.20 1wh5 s PRO 61 N -2.01 4.66 0.21 2.72 0.04 -1.26 -4.43 135.00 134.93 1wh5 s PRO 61 Ca 0.52 1.77 -0.09 0.00 0.04 0.00 0.00 61.00 63.24 1wh5 s PRO 61 Cb -0.28 -3.21 0.30 0.00 0.04 0.00 0.00 34.50 31.36 1wh5 s PRO 61 CO 0.35 0.23 1.72 -0.09 0.04 0.00 0.00 177.00 179.25 1wh5 h ARG 62 N 3.97 0.32 -0.25 4.56 2.43 -1.94 0.52 114.38 123.98 1wh5 h ARG 62 Ca -0.46 -0.02 0.07 0.00 -0.81 0.00 0.00 59.98 58.76 1wh5 h ARG 62 Cb 1.21 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 1wh5 h ARG 62 CO 0.68 0.21 0.26 0.37 -1.51 0.00 0.00 179.97 179.98 1wh5 h GLN 63 N 0.32 0.00 0.01 0.20 4.15 -1.99 0.19 115.11 117.98 1wh5 h GLN 63 Ca 0.32 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.66 1wh5 h GLN 63 Cb 0.46 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1wh5 h GLN 63 CO -0.37 0.00 -0.43 0.28 -1.93 0.00 0.00 178.83 176.38 1wh5 h VAL 64 N 0.00 1.51 -0.06 2.39 2.07 -0.47 -2.86 116.25 118.83 1wh5 h VAL 64 Ca 0.12 -2.30 0.02 0.00 0.82 0.00 0.00 66.70 65.35 1wh5 h VAL 64 Cb 0.65 3.02 -0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1wh5 h VAL 64 CO -0.00 0.52 0.26 0.25 0.02 0.00 0.00 177.57 178.62 1wh5 h LEU 65 N -0.97 0.00 0.00 2.57 7.12 0.31 1.23 115.31 125.57 1wh5 h LEU 65 Ca -0.12 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.89 1wh5 h LEU 65 Cb 1.13 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.26 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 -3.11 0.00 -0.22 1.25 4.81 -0.06 -3.65 118.16 117.18 1wh5 n LYS 66 Ca -0.01 0.36 0.02 0.00 -0.87 0.00 0.00 58.31 57.82 1wh5 n LYS 66 Cb 0.33 -0.86 0.14 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 0.68 -0.86 3.15 -1.51 -1.25 -0.75 116.25 115.71 1wh5 h VAL 67 Ca 0.00 -0.13 0.12 0.00 -1.23 0.00 0.00 66.70 65.47 1wh5 h VAL 67 Cb 0.00 0.28 -0.13 0.00 -2.13 0.00 0.00 31.29 29.30 1wh5 h VAL 67 CO 0.00 0.07 -0.36 1.87 -1.23 0.00 0.00 177.57 177.92 1wh5 n TRP 68 N -5.05 -0.03 0.06 5.19 -0.00 0.42 0.24 117.44 118.28 1wh5 n TRP 68 Ca 0.11 1.06 -0.12 0.00 -0.00 0.00 0.00 57.50 58.55 1wh5 n TRP 68 Cb 0.35 -0.78 -0.05 0.00 -0.00 0.00 0.00 31.31 30.82 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 -0.89 -1.97 5.87 3.38 -1.20 0.26 115.31 120.76 1wh5 h LEU 69 Ca 0.27 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.42 1wh5 h LEU 69 Cb 0.49 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1wh5 h LEU 69 CO -0.84 -0.37 0.16 -0.74 0.09 0.00 0.00 178.44 176.74 1wh5 h HIS 70 N -0.45 0.04 0.00 1.13 2.76 0.16 1.50 115.15 120.29 1wh5 h HIS 70 Ca 0.06 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1wh5 h HIS 70 Cb 0.53 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.48 1wh5 h HIS 70 CO -0.32 0.02 0.00 0.09 -1.30 0.00 0.00 177.93 176.42 1wh5 n ASN 71 N -4.48 0.00 0.00 3.26 3.02 0.68 -4.63 115.26 113.10 1wh5 n ASN 71 Ca 0.02 0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 1wh5 n ASN 71 Cb 0.28 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.40 0.00 -4.02 6.41 3.02 0.29 -4.72 115.26 114.84 1wh5 n ASN 72 Ca 0.10 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.29 1wh5 n ASN 72 Cb 0.28 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 0.00 -0.50 -0.81 3.52 5.02 0.44 -4.08 118.16 121.75 1wh5 n LYS 73 Ca 0.00 -0.03 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1wh5 n LYS 73 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.95 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 -4.22 -0.74 -0.57 2.13 8.25 -1.26 -5.03 115.22 113.78 1wh5 n HIS 74 Ca -0.13 0.44 0.07 0.00 -0.26 0.00 0.00 57.72 57.84 1wh5 n HIS 74 Cb 0.48 -2.26 -0.03 0.00 1.12 0.00 0.00 29.99 29.30 1wh5 n HIS 74 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wh5 n SER 75 N 0.28 -3.25 0.00 0.41 2.88 -1.26 -5.09 113.62 107.60 1wh5 n SER 75 Ca 0.00 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1wh5 n SER 75 Cb 0.00 -1.92 0.00 0.00 -0.75 0.00 0.00 64.21 61.54 1wh5 n SER 75 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wh5 n GLY 76 N -3.05 2.01 2.70 0.46 0.00 -1.26 -4.40 105.19 101.64 1wh5 n GLY 76 Ca -0.03 -0.07 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 2.47 -4.59 1.61 -0.04 -1.26 -4.83 135.00 128.36 1wh5 n PRO 77 Ca 0.00 -1.99 -0.23 0.00 -0.04 0.00 0.00 63.50 61.24 1wh5 n PRO 77 Cb 0.00 -2.84 -0.16 0.00 -0.04 0.00 0.00 33.50 30.46 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 3.50 1.67 -0.33 3.54 0.15 -1.26 -5.07 113.70 115.90 1wh5 s SER 78 Ca 0.53 -0.27 -0.08 0.00 0.70 0.00 0.00 55.95 56.82 1wh5 s SER 78 Cb 0.14 -0.53 0.20 0.00 -1.71 0.00 0.00 66.02 64.12 1wh5 s SER 78 CO -0.01 0.09 1.06 -0.55 1.20 0.00 0.00 173.24 175.03 1wh5 s SER 79 N 0.25 -0.33 0.00 5.45 0.15 -1.26 -5.20 113.70 112.76 1wh5 s SER 79 Ca -0.06 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.35 1wh5 s SER 79 Cb -0.11 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.62 1wh5 s SER 79 CO 0.02 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.04