#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 -0.33 -0.28 1.61 0.15 -1.26 -5.17 113.70 108.42 1wh5 s SER 2 Ca 0.00 0.59 -0.23 0.00 0.70 0.00 0.00 55.95 57.01 1wh5 s SER 2 Cb 0.00 0.86 0.10 0.00 -1.71 0.00 0.00 66.02 65.27 1wh5 s SER 2 CO 0.00 -0.10 0.84 -0.44 1.20 0.00 0.00 173.24 174.74 1wh5 s SER 3 N 0.69 -0.66 0.00 5.45 0.01 -1.26 -5.09 113.70 112.84 1wh5 s SER 3 Ca -0.02 1.21 0.00 0.00 1.31 0.00 0.00 55.95 58.46 1wh5 s SER 3 Cb -0.04 1.24 0.00 0.00 0.21 0.00 0.00 66.02 67.43 1wh5 s SER 3 CO -0.12 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 173.94 1wh5 n GLY 4 N 2.91 -1.97 2.48 3.44 0.00 -1.26 -5.12 105.19 105.66 1wh5 n GLY 4 Ca -0.15 0.58 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.27 -4.38 -3.54 1.61 2.88 -1.26 -5.08 113.62 102.58 1wh5 n SER 5 Ca 0.00 1.18 -0.15 0.00 -1.33 0.00 0.00 58.87 58.57 1wh5 n SER 5 Cb 0.00 -4.63 -0.05 0.00 -0.75 0.00 0.00 64.21 58.78 1wh5 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wh5 s SER 6 N -1.04 -0.53 0.00 -3.46 1.04 -1.26 -5.08 113.70 103.38 1wh5 s SER 6 Ca -0.10 0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1wh5 s SER 6 Cb 0.01 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1wh5 s SER 6 CO 0.67 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1wh5 n GLY 7 N 0.54 -1.70 3.60 7.32 0.00 -1.26 -5.18 105.19 108.51 1wh5 n GLY 7 Ca -0.19 0.55 0.01 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.03 -0.37 1.61 1.04 -1.26 -5.11 113.70 109.58 1wh5 s SER 8 Ca 0.00 -0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.42 1wh5 s SER 8 Cb 0.00 0.04 0.15 0.00 0.10 0.00 0.00 66.02 66.31 1wh5 s SER 8 CO 0.00 -0.08 0.26 -0.55 0.98 0.00 0.00 173.24 173.85 1wh5 s SER 9 N -2.59 2.43 -0.39 7.02 0.15 -1.26 -5.06 113.70 113.99 1wh5 s SER 9 Ca 0.13 -2.51 0.03 0.00 0.70 0.00 0.00 55.95 54.30 1wh5 s SER 9 Cb 0.04 -0.42 0.11 0.00 -1.71 0.00 0.00 66.02 64.04 1wh5 s SER 9 CO -0.05 -0.26 0.14 0.00 1.20 0.00 0.00 173.24 174.27 1wh5 s ALA 10 N 0.69 2.65 -0.28 5.45 0.00 -1.26 -5.04 121.76 123.97 1wh5 s ALA 10 Ca 0.23 -2.58 -0.04 0.00 0.00 0.00 0.00 51.96 49.57 1wh5 s ALA 10 Cb -0.13 -1.94 0.16 0.00 0.00 0.00 0.00 23.12 21.20 1wh5 s ALA 10 CO -0.06 -1.82 0.56 -1.21 0.00 0.00 0.00 175.76 173.22 1wh5 s GLU 11 N 0.65 0.52 0.32 0.00 2.02 -1.26 -5.10 118.70 115.85 1wh5 s GLU 11 Ca 0.13 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.18 1wh5 s GLU 11 Cb -0.21 0.46 0.00 0.00 0.10 0.00 0.00 34.13 34.48 1wh5 s GLU 11 CO -0.08 -0.48 0.00 0.00 0.02 0.00 0.00 175.26 174.72 1wh5 n ALA 12 N 5.42 -2.16 -0.36 5.21 0.00 -1.26 -4.13 120.51 123.23 1wh5 n ALA 12 Ca -0.05 0.42 -0.10 0.00 0.00 0.00 0.00 53.44 53.71 1wh5 n ALA 12 Cb 0.50 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.53 1wh5 n ALA 12 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1wh5 h GLY 13 N 2.78 -0.72 -7.57 0.00 0.00 -2.02 -3.09 103.07 92.45 1wh5 h GLY 13 Ca 0.00 0.74 -0.73 0.00 0.00 0.00 0.00 47.33 47.34 1wh5 h GLY 13 CO 0.00 -0.02 -0.12 -0.32 0.00 0.00 0.00 176.54 176.08 1wh5 s GLY 14 N -2.64 2.74 0.00 4.60 0.00 -1.26 -4.94 107.32 105.82 1wh5 s GLY 14 Ca -0.13 -3.46 0.00 0.00 0.00 0.00 0.00 44.72 41.13 1wh5 s GLY 14 CO 0.63 1.18 0.00 0.61 0.00 0.00 0.00 173.10 175.52 1wh5 n GLY 15 N 3.27 0.68 3.53 0.20 0.00 -1.17 -4.95 105.19 106.75 1wh5 n GLY 15 Ca 0.14 0.00 -0.42 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 1.60 4.03 0.31 -0.61 1.01 -1.26 -4.99 121.20 121.27 1wh5 s ILE 16 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 60.07 1wh5 s ILE 16 Cb 0.00 -4.93 -0.06 0.00 0.01 0.00 0.00 42.46 37.47 1wh5 s ILE 16 CO 0.00 -1.80 0.63 0.00 0.00 0.00 0.00 174.94 173.77 1wh5 s ARG 17 N 4.76 3.76 0.12 2.79 3.03 -1.26 -4.99 118.95 127.16 1wh5 s ARG 17 Ca 0.38 0.27 -0.33 0.00 2.03 0.00 0.00 55.73 58.08 1wh5 s ARG 17 Cb -0.05 -2.56 -0.18 0.00 -1.03 0.00 0.00 34.95 31.13 1wh5 s ARG 17 CO -0.00 0.17 0.82 1.63 -1.13 0.00 0.00 175.30 176.79 1wh5 n LYS 18 N -0.74 0.18 0.07 3.89 4.76 -1.26 -4.85 118.16 120.21 1wh5 n LYS 18 Ca 0.01 0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1wh5 n LYS 18 Cb 0.53 -1.32 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 1wh5 n LYS 18 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1wh5 n ARG 19 N 1.27 0.00 -3.03 1.97 0.63 -1.26 -5.09 116.66 111.15 1wh5 n ARG 19 Ca 0.18 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 57.15 1wh5 n ARG 19 Cb 0.19 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 33.05 1wh5 n ARG 19 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wh5 s HIS 20 N -1.55 -0.81 -0.37 -0.14 5.04 -1.26 -5.05 115.29 111.15 1wh5 s HIS 20 Ca 0.00 0.31 0.05 0.00 -1.54 0.00 0.00 55.06 53.88 1wh5 s HIS 20 Cb 0.00 0.14 0.26 0.00 0.04 0.00 0.00 32.58 33.03 1wh5 s HIS 20 CO 0.00 -0.51 1.23 2.89 -2.34 0.00 0.00 174.74 176.01 1wh5 n ARG 21 N 4.59 0.60 -4.43 2.88 0.00 -1.26 -5.15 116.66 113.89 1wh5 n ARG 21 Ca 0.08 -1.23 -0.25 0.00 -0.00 0.00 0.00 57.85 56.44 1wh5 n ARG 21 Cb 0.59 -0.27 -0.10 0.00 -0.00 0.00 0.00 32.46 32.68 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 0.12 2.56 -0.46 8.89 -4.23 -1.26 -5.08 115.64 116.19 1wh5 s THR 22 Ca 0.16 -2.18 0.07 0.00 -1.18 0.00 0.00 61.69 58.56 1wh5 s THR 22 Cb 0.25 -2.30 0.28 0.00 1.34 0.00 0.00 72.50 72.07 1wh5 s THR 22 CO -0.09 -0.28 0.91 0.29 -0.54 0.00 0.00 174.62 174.91 1wh5 n LYS 23 N -0.27 0.87 -2.33 3.99 4.76 -1.26 -5.11 118.16 118.80 1wh5 n LYS 23 Ca -0.08 -2.14 -0.43 0.00 -2.87 0.00 0.00 58.31 52.79 1wh5 n LYS 23 Cb 0.58 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 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 0.02 2.56 0.67 2.13 0.08 -1.26 -5.01 117.98 117.18 1wh5 s PHE 24 Ca 0.30 0.80 -0.04 0.00 0.12 0.00 0.00 56.93 58.10 1wh5 s PHE 24 Cb 0.25 -3.82 0.06 0.00 -0.57 0.00 0.00 43.02 38.94 1wh5 s PHE 24 CO -0.15 -2.08 0.96 -0.08 -0.10 0.00 0.00 175.22 173.77 1wh5 s THR 25 N 4.31 2.36 0.34 0.64 -1.32 -1.26 -4.53 115.64 116.19 1wh5 s THR 25 Ca 0.60 -0.39 0.18 0.00 -1.21 0.00 0.00 61.69 60.87 1wh5 s THR 25 Cb -0.21 -2.97 0.33 0.00 -1.51 0.00 0.00 72.50 68.15 1wh5 s THR 25 CO 0.23 0.00 1.47 0.00 -2.21 0.00 0.00 174.62 174.11 1wh5 n ALA 26 N -2.78 0.90 -0.10 11.08 0.00 -1.26 0.14 120.51 128.49 1wh5 n ALA 26 Ca 0.09 0.96 0.00 0.00 0.00 0.00 0.00 53.44 54.48 1wh5 n ALA 26 Cb 0.60 -0.93 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 -5.14 0.00 -0.24 0.00 2.13 -1.26 0.17 120.64 116.30 1wh5 n GLU 27 Ca 0.34 0.45 0.04 0.00 0.66 0.00 0.00 57.16 58.65 1wh5 n GLU 27 Cb 1.15 -1.39 0.16 0.00 0.27 0.00 0.00 31.44 31.63 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 0.23 0.48 5.31 1.08 -1.30 1.50 115.11 122.41 1wh5 h GLN 28 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 1wh5 h GLN 28 Cb 0.00 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.36 1wh5 h GLN 28 CO 0.00 0.15 -0.45 -0.22 -0.95 0.00 0.00 178.83 177.36 1wh5 h LYS 29 N 0.24 -0.89 -0.22 1.46 3.64 0.12 0.15 116.57 121.08 1wh5 h LYS 29 Ca 0.39 0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.86 1wh5 h LYS 29 Cb 0.66 0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 32.65 1wh5 h LYS 29 CO -0.51 -0.59 0.03 0.93 -2.27 0.00 0.00 179.45 177.04 1wh5 h GLU 30 N -0.92 0.11 -0.72 1.90 5.08 0.69 0.28 114.58 121.00 1wh5 h GLU 30 Ca -0.06 -0.01 0.16 0.00 -1.00 0.00 0.00 59.36 58.45 1wh5 h GLU 30 Cb 0.79 -0.02 -0.12 0.00 0.50 0.00 0.00 28.75 29.90 1wh5 h GLU 30 CO -0.04 0.07 0.03 0.00 -1.00 0.00 0.00 179.01 178.07 1wh5 h ARG 31 N 0.11 0.13 -0.28 2.33 2.47 0.23 0.77 114.38 120.15 1wh5 h ARG 31 Ca 0.10 -0.01 -0.15 0.00 -1.26 0.00 0.00 59.98 58.66 1wh5 h ARG 31 Cb 0.10 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1wh5 h ARG 31 CO -0.14 0.09 -0.40 0.52 0.56 0.00 0.00 179.97 180.59 1wh5 h MET 32 N 0.13 0.77 -0.57 0.04 2.86 -0.03 -1.49 114.93 116.64 1wh5 h MET 32 Ca 0.39 -0.45 0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1wh5 h MET 32 Cb 0.67 0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.33 1wh5 h MET 32 CO -0.60 1.08 0.33 -0.07 1.06 0.00 0.00 176.91 178.70 1wh5 h LEU 33 N 0.52 0.52 -0.95 1.22 3.38 0.17 1.53 115.31 121.70 1wh5 h LEU 33 Ca 0.03 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1wh5 h LEU 33 Cb 1.00 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 1wh5 h LEU 33 CO 0.09 0.36 -0.08 0.00 0.09 0.00 0.00 178.44 178.90 1wh5 h ALA 34 N 1.27 1.12 -0.02 1.53 0.00 0.51 0.63 119.26 124.30 1wh5 h ALA 34 Ca 0.24 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1wh5 h ALA 34 Cb 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wh5 h ALA 34 CO -0.12 0.55 -0.03 1.25 0.00 0.00 0.00 179.25 180.90 1wh5 h LEU 35 N 0.62 0.06 -0.72 0.00 5.85 -0.09 -1.56 115.31 119.46 1wh5 h LEU 35 Ca 0.11 -0.55 0.08 0.00 0.84 0.00 0.00 57.88 58.36 1wh5 h LEU 35 Cb 0.51 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.46 1wh5 h LEU 35 CO 0.03 0.59 0.39 0.00 -0.34 0.00 0.00 178.44 179.11 1wh5 h ALA 36 N 0.46 0.99 0.00 1.25 0.00 0.23 1.14 119.26 123.33 1wh5 h ALA 36 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1wh5 h ALA 36 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1wh5 h ALA 36 CO 0.01 0.03 0.00 0.39 0.00 0.00 0.00 179.25 179.67 1wh5 n GLU 37 N -4.80 0.12 -0.12 0.00 1.02 0.20 0.19 120.64 117.25 1wh5 n GLU 37 Ca 0.11 0.13 -0.25 0.00 -0.02 0.00 0.00 57.16 57.13 1wh5 n GLU 37 Cb 0.23 -1.50 -0.11 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 -1.41 0.62 0.04 3.49 0.63 0.19 -4.52 116.66 115.70 1wh5 n ARG 38 Ca 0.07 0.27 -0.12 0.00 -0.92 0.00 0.00 57.85 57.14 1wh5 n ARG 38 Cb 0.20 -1.55 -0.14 0.00 0.45 0.00 0.00 32.46 31.43 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 -0.63 1.17 0.00 5.15 3.07 0.10 -3.48 117.51 122.89 1wh5 h ILE 39 Ca -0.61 -2.89 0.00 0.00 1.55 0.00 0.00 64.86 62.91 1wh5 h ILE 39 Cb 1.69 2.67 0.00 0.00 -0.27 0.00 0.00 36.82 40.91 1wh5 h ILE 39 CO -0.27 0.76 0.00 0.61 -1.05 0.00 0.00 178.15 178.21 1wh5 n GLY 40 N 1.58 1.75 2.53 0.16 0.00 0.51 -4.39 105.19 107.33 1wh5 n GLY 40 Ca -0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.65 0.00 -4.27 1.61 7.02 0.34 -4.95 117.44 116.54 1wh5 n TRP 41 Ca 0.00 0.00 -0.26 0.00 -1.02 0.00 0.00 57.50 56.22 1wh5 n TRP 41 Cb 0.00 -1.15 -0.08 0.00 -2.42 0.00 0.00 31.31 27.66 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 -1.19 2.16 -0.01 -0.99 1.70 -1.26 -4.88 118.95 114.47 1wh5 s ARG 42 Ca 0.00 -1.95 0.03 0.00 -0.47 0.00 0.00 55.73 53.34 1wh5 s ARG 42 Cb 0.00 -1.88 -0.01 0.00 -0.57 0.00 0.00 34.95 32.50 1wh5 s ARG 42 CO 0.00 -0.14 -0.11 0.42 -1.08 0.00 0.00 175.30 174.39 1wh5 s ILE 43 N -2.65 0.86 0.28 4.99 1.01 -1.26 -4.83 121.20 119.59 1wh5 s ILE 43 Ca 0.37 -0.45 -0.13 0.00 0.00 0.00 0.00 60.65 60.44 1wh5 s ILE 43 Cb 0.05 -0.73 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1wh5 s ILE 43 CO 0.20 0.25 0.55 -1.10 0.00 0.00 0.00 174.94 174.84 1wh5 s GLN 44 N -0.15 1.71 0.48 2.79 -0.21 -1.26 -5.00 119.66 118.01 1wh5 s GLN 44 Ca 0.02 -1.30 0.32 0.00 0.02 0.00 0.00 55.36 54.43 1wh5 s GLN 44 Cb -0.05 0.50 1.62 0.00 1.00 0.00 0.00 33.01 36.09 1wh5 s GLN 44 CO -0.00 -0.73 1.98 0.07 -2.12 0.00 0.00 175.29 174.49 1wh5 h ARG 45 N 2.17 0.00 0.13 2.91 -0.00 -2.01 0.13 114.38 117.71 1wh5 h ARG 45 Ca -0.26 0.00 -0.24 0.00 -0.00 0.00 0.00 59.98 59.48 1wh5 h ARG 45 Cb 1.25 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.23 1wh5 h ARG 45 CO 0.34 0.00 -1.15 1.96 -0.00 0.00 0.00 179.97 181.12 1wh5 h GLN 46 N 0.00 0.27 0.00 0.08 4.20 -2.03 -3.30 115.11 114.34 1wh5 h GLN 46 Ca 0.00 -0.47 -0.02 0.00 0.06 0.00 0.00 58.65 58.23 1wh5 h GLN 46 Cb 0.16 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 1wh5 h GLN 46 CO 0.00 1.22 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.87 1wh5 h ASP 47 N -0.33 0.00 -0.70 1.46 3.32 -1.77 -3.30 116.42 115.10 1wh5 h ASP 47 Ca -0.23 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.88 1wh5 h ASP 47 Cb 1.71 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 41.18 1wh5 h ASP 47 CO 0.10 0.07 -0.41 -0.67 -1.72 0.00 0.00 179.24 176.61 1wh5 n ASP 48 N -3.16 -0.74 -0.33 6.45 2.03 0.38 0.20 116.55 121.38 1wh5 n ASP 48 Ca 0.01 1.50 0.24 0.00 0.52 0.00 0.00 54.79 57.07 1wh5 n ASP 48 Cb 0.41 -0.29 0.46 0.00 -0.72 0.00 0.00 41.12 40.98 1wh5 n ASP 48 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49 1wh5 n GLU 49 N -4.59 -0.07 0.06 -0.67 2.13 -1.24 0.17 120.64 116.44 1wh5 n GLU 49 Ca 0.01 1.43 -0.21 0.00 0.66 0.00 0.00 57.16 59.06 1wh5 n GLU 49 Cb 0.18 -2.43 -0.12 0.00 0.27 0.00 0.00 31.44 29.34 1wh5 n GLU 49 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1wh5 h VAL 50 N 0.00 1.32 -0.14 6.31 2.07 0.14 0.02 116.25 125.98 1wh5 h VAL 50 Ca 0.74 -2.35 0.04 0.00 0.82 0.00 0.00 66.70 65.95 1wh5 h VAL 50 Cb 1.81 2.65 -0.04 0.00 -1.52 0.00 0.00 31.29 34.19 1wh5 h VAL 50 CO -0.84 0.71 -0.09 0.40 0.02 0.00 0.00 177.57 177.77 1wh5 h ILE 51 N 0.18 0.74 -0.09 4.57 1.08 1.26 1.46 117.51 126.71 1wh5 h ILE 51 Ca -0.15 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.29 1wh5 h ILE 51 Cb 1.74 0.74 -0.00 0.00 -3.07 0.00 0.00 36.82 36.22 1wh5 h ILE 51 CO 0.20 0.00 -0.04 1.56 -0.69 0.00 0.00 178.15 179.18 1wh5 h GLN 52 N -0.09 0.18 -1.00 2.37 4.20 0.10 -2.15 115.11 118.73 1wh5 h GLN 52 Ca 0.08 -0.08 0.06 0.00 0.06 0.00 0.00 58.65 58.77 1wh5 h GLN 52 Cb 0.21 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.92 1wh5 h GLN 52 CO -0.19 0.55 0.65 -0.09 -0.67 0.00 0.00 178.83 179.08 1wh5 h ARG 53 N -0.18 1.17 -0.44 1.46 9.65 -0.67 -1.80 114.38 123.56 1wh5 h ARG 53 Ca 0.02 -0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.82 1wh5 h ARG 53 Cb 0.49 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.79 1wh5 h ARG 53 CO 0.01 0.77 0.22 0.35 2.80 0.00 0.00 179.97 184.12 1wh5 h PHE 54 N 1.20 0.62 0.00 2.20 3.04 0.21 -0.00 116.94 124.21 1wh5 h PHE 54 Ca 0.42 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.35 1wh5 h PHE 54 Cb 0.12 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.44 1wh5 h PHE 54 CO -0.00 0.50 0.00 0.00 -2.02 0.00 0.00 178.31 176.78 1wh5 h GLN 56 N 0.00 0.18 0.09 0.00 -0.00 -0.34 -1.15 115.11 113.88 1wh5 h GLN 56 Ca 0.00 -0.30 -0.31 0.00 -0.00 0.00 0.00 58.65 58.04 1wh5 h GLN 56 Cb 0.12 0.11 -0.02 0.00 -0.00 0.00 0.00 27.48 27.69 1wh5 h GLN 56 CO 0.00 1.00 -1.63 1.05 -0.00 0.00 0.00 178.83 179.26 1wh5 h GLU 57 N 0.05 0.19 0.00 0.06 4.11 -0.09 -3.42 114.58 115.47 1wh5 h GLU 57 Ca -0.23 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 58.89 1wh5 h GLU 57 Cb 1.98 0.12 0.00 0.00 0.50 0.00 0.00 28.75 31.35 1wh5 h GLU 57 CO 0.14 0.99 0.00 0.25 0.07 0.00 0.00 179.01 180.46 1wh5 n THR 58 N -3.36 0.00 0.00 -1.06 -2.24 0.26 -5.05 114.28 102.83 1wh5 n THR 58 Ca -0.19 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.01 1wh5 n THR 58 Cb 1.04 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 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 1.73 0.49 3.77 3.38 0.00 -0.43 -5.01 105.19 109.12 1wh5 n GLY 59 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.45 3.53 0.28 1.61 1.01 -1.26 -4.99 120.40 119.12 1wh5 s VAL 60 Ca 0.00 1.36 -0.29 0.00 0.00 0.00 0.00 61.98 63.04 1wh5 s VAL 60 Cb 0.00 -3.79 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 1wh5 s VAL 60 CO 0.00 0.19 1.08 -2.16 0.00 0.00 0.00 175.10 174.20 1wh5 s PRO 61 N -1.97 4.66 0.17 2.72 0.04 -1.26 -4.47 135.00 134.88 1wh5 s PRO 61 Ca 0.51 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 63.10 1wh5 s PRO 61 Cb -0.28 -3.19 0.08 0.00 0.04 0.00 0.00 34.50 31.15 1wh5 s PRO 61 CO 0.35 0.24 1.61 -0.09 0.04 0.00 0.00 177.00 179.16 1wh5 h ARG 62 N 3.83 -0.20 -1.09 4.56 2.43 -1.94 0.57 114.38 122.54 1wh5 h ARG 62 Ca -0.47 0.01 0.30 0.00 -0.81 0.00 0.00 59.98 59.02 1wh5 h ARG 62 Cb 1.21 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 1wh5 h ARG 62 CO 0.67 -0.13 0.76 0.37 -1.51 0.00 0.00 179.97 180.13 1wh5 h GLN 63 N -0.20 0.12 0.05 0.20 4.15 -1.99 0.25 115.11 117.68 1wh5 h GLN 63 Ca 0.18 -0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.53 1wh5 h GLN 63 Cb 0.49 -0.03 0.01 0.00 0.21 0.00 0.00 27.48 28.17 1wh5 h GLN 63 CO -0.51 0.08 -0.28 0.28 -1.93 0.00 0.00 178.83 176.47 1wh5 h VAL 64 N 0.12 1.69 -0.03 2.39 2.07 -0.46 -2.73 116.25 119.30 1wh5 h VAL 64 Ca 0.55 -2.37 0.01 0.00 0.82 0.00 0.00 66.70 65.70 1wh5 h VAL 64 Cb 1.93 3.29 -0.00 0.00 -1.52 0.00 0.00 31.29 34.99 1wh5 h VAL 64 CO -0.10 0.64 0.23 0.25 0.02 0.00 0.00 177.57 178.61 1wh5 h LEU 65 N -0.76 0.00 0.00 2.57 7.12 0.27 1.02 115.31 125.53 1wh5 h LEU 65 Ca -0.05 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.96 1wh5 h LEU 65 Cb 1.20 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.33 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 -3.06 0.00 -0.25 1.25 4.81 0.56 -3.54 118.16 117.94 1wh5 n LYS 66 Ca -0.02 0.45 0.04 0.00 -0.87 0.00 0.00 58.31 57.92 1wh5 n LYS 66 Cb 0.29 -0.95 0.17 0.00 0.02 0.00 0.00 35.03 34.56 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 -0.79 3.15 -1.51 -1.16 -1.56 116.25 115.06 1wh5 h VAL 67 Ca 0.00 -0.15 0.07 0.00 -1.23 0.00 0.00 66.70 65.39 1wh5 h VAL 67 Cb 0.00 0.21 -0.10 0.00 -2.13 0.00 0.00 31.29 29.27 1wh5 h VAL 67 CO 0.00 0.08 -0.47 1.87 -1.23 0.00 0.00 177.57 177.82 1wh5 n TRP 68 N -5.00 -0.35 -0.30 5.19 -0.00 0.35 0.23 117.44 117.57 1wh5 n TRP 68 Ca 0.13 0.99 0.11 0.00 -0.00 0.00 0.00 57.50 58.73 1wh5 n TRP 68 Cb 0.38 -0.56 0.24 0.00 -0.00 0.00 0.00 31.31 31.37 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 -0.30 -0.82 5.87 3.38 -1.33 1.80 115.31 123.92 1wh5 h LEU 69 Ca 0.13 0.22 -0.11 0.00 0.09 0.00 0.00 57.88 58.21 1wh5 h LEU 69 Cb 0.33 0.37 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1wh5 h LEU 69 CO -0.75 -0.23 -0.34 -0.74 0.09 0.00 0.00 178.44 176.47 1wh5 h HIS 70 N 0.10 0.56 0.00 1.13 2.76 0.23 1.29 115.15 121.22 1wh5 h HIS 70 Ca 0.52 -0.14 0.00 0.00 -2.20 0.00 0.00 60.37 58.54 1wh5 h HIS 70 Cb 1.00 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.84 1wh5 h HIS 70 CO -0.40 0.77 0.00 -0.91 -1.30 0.00 0.00 177.93 176.08 1wh5 h ASN 71 N 0.41 0.00 0.00 3.26 2.35 1.44 -3.35 115.58 119.69 1wh5 h ASN 71 Ca 0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1wh5 h ASN 71 Cb 0.79 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.16 1wh5 h ASN 71 CO 0.06 0.00 -0.14 0.59 -1.65 0.00 0.00 177.43 176.30 1wh5 n ASN 72 N -2.73 0.28 -3.45 5.81 3.02 0.42 -5.01 115.26 113.61 1wh5 n ASN 72 Ca 0.02 0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.35 1wh5 n ASN 72 Cb 0.34 -0.54 0.28 0.00 -0.61 0.00 0.00 39.78 39.25 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 -2.76 -4.40 -2.11 3.52 2.85 0.44 -4.84 118.16 110.85 1wh5 n LYS 73 Ca -0.02 -1.30 -0.43 0.00 -1.05 0.00 0.00 58.31 55.51 1wh5 n LYS 73 Cb 0.07 -1.93 -0.03 0.00 -0.65 0.00 0.00 35.03 32.50 1wh5 n LYS 73 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 177.40 175.77 1wh5 s HIS 74 N -2.15 2.11 -0.03 5.58 5.65 -1.26 -4.75 115.29 120.44 1wh5 s HIS 74 Ca 0.66 0.52 -0.04 0.00 0.25 0.00 0.00 55.06 56.45 1wh5 s HIS 74 Cb -0.14 -3.96 -0.02 0.00 -1.18 0.00 0.00 32.58 27.28 1wh5 s HIS 74 CO 0.57 -3.01 0.28 1.03 -0.65 0.00 0.00 174.74 172.96 1wh5 h SER 75 N 10.53 -0.12 -2.77 9.88 0.87 -1.89 -3.49 113.55 126.57 1wh5 h SER 75 Ca -0.34 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1wh5 h SER 75 Cb 1.15 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 63.13 1wh5 h SER 75 CO 0.99 0.10 -0.10 0.61 -0.53 0.00 0.00 176.83 177.91 1wh5 n GLY 76 N 1.18 -1.66 3.77 5.77 0.00 -1.26 -4.89 105.19 108.11 1wh5 n GLY 76 Ca -0.02 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.47 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 -0.55 0.15 0.39 1.61 0.04 -1.26 -5.01 135.00 130.37 1wh5 s PRO 77 Ca 0.00 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1wh5 s PRO 77 Cb 0.00 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.78 1wh5 s PRO 77 CO 0.00 -2.79 0.00 -1.13 0.04 0.00 0.00 177.00 173.12 1wh5 n SER 78 N -4.11 -2.89 -4.57 6.66 3.41 -1.26 -5.02 113.62 105.85 1wh5 n SER 78 Ca 0.12 0.74 -0.38 0.00 -0.26 0.00 0.00 58.87 59.09 1wh5 n SER 78 Cb 0.59 2.77 -0.03 0.00 -0.26 0.00 0.00 64.21 67.29 1wh5 n SER 78 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1wh5 s SER 79 N -2.86 6.22 0.00 4.04 0.15 -1.26 -5.35 113.70 114.64 1wh5 s SER 79 Ca 0.00 -1.75 0.30 0.00 0.70 0.00 0.00 55.95 55.20 1wh5 s SER 79 Cb 0.00 -2.58 1.82 0.00 -1.71 0.00 0.00 66.02 63.55 1wh5 s SER 79 CO 0.00 -1.79 2.15 0.61 1.20 0.00 0.00 173.24 175.41