#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6g n SER 2 N 0.00 -7.08 -2.65 1.61 2.88 -1.26 -4.97 113.62 102.16 1x6g n SER 2 Ca 0.00 1.36 -0.06 0.00 -1.33 0.00 0.00 58.87 58.83 1x6g n SER 2 Cb 0.00 -4.47 0.01 0.00 -0.75 0.00 0.00 64.21 59.00 1x6g n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x6g n SER 3 N -3.95 -7.02 -0.65 -3.46 7.64 -1.26 -4.82 113.62 100.10 1x6g n SER 3 Ca -0.08 0.42 0.08 0.00 1.01 0.00 0.00 58.87 60.30 1x6g n SER 3 Cb 0.60 -4.71 -0.02 0.00 -1.01 0.00 0.00 64.21 59.07 1x6g n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 4 N -0.41 -0.81 1.88 0.23 0.00 -1.26 -5.00 105.19 99.82 1x6g n GLY 4 Ca 0.09 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1x6g n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x6g n SER 5 N -4.26 -3.39 -3.63 1.61 3.41 -1.26 -5.04 113.62 101.06 1x6g n SER 5 Ca 0.00 0.79 -0.03 0.00 -0.26 0.00 0.00 58.87 59.38 1x6g n SER 5 Cb 0.26 3.24 -0.05 0.00 -0.26 0.00 0.00 64.21 67.40 1x6g n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x6g s SER 6 N -2.00 -1.05 0.00 4.04 0.15 -1.26 -5.14 113.70 108.43 1x6g s SER 6 Ca 0.00 1.50 0.00 0.00 0.70 0.00 0.00 55.95 58.15 1x6g s SER 6 Cb 0.00 2.00 0.00 0.00 -1.71 0.00 0.00 66.02 66.31 1x6g s SER 6 CO 0.00 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.83 1x6g n GLY 7 N 5.08 -0.66 3.06 9.45 0.00 -1.26 -5.03 105.19 115.83 1x6g n GLY 7 Ca -0.14 -0.10 -0.02 0.00 0.00 0.00 0.00 46.02 45.76 1x6g n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x6g s ARG 8 N 0.00 0.57 0.01 1.61 3.52 -1.26 -5.15 118.95 118.25 1x6g s ARG 8 Ca 0.00 0.17 -0.10 0.00 -0.13 0.00 0.00 55.73 55.67 1x6g s ARG 8 Cb 0.00 -0.01 0.01 0.00 -1.56 0.00 0.00 34.95 33.38 1x6g s ARG 8 CO 0.00 -1.08 0.21 1.41 -0.81 0.00 0.00 175.30 175.03 1x6g s MET 9 N 2.47 0.61 -1.13 5.12 1.75 -1.26 -5.06 119.30 121.80 1x6g s MET 9 Ca 0.11 -0.42 -0.19 0.00 -1.25 0.00 0.00 55.69 53.95 1x6g s MET 9 Cb -0.10 0.26 -0.05 0.00 2.84 0.00 0.00 34.83 37.78 1x6g s MET 9 CO -0.22 -0.17 2.02 -0.35 -0.65 0.00 0.00 175.02 175.65 1x6g n PRO 10 N 1.13 2.20 -3.71 4.11 -0.04 -1.26 -4.81 135.00 132.62 1x6g n PRO 10 Ca -0.21 -2.34 -0.13 0.00 -0.04 0.00 0.00 63.50 60.77 1x6g n PRO 10 Cb 0.57 -3.20 -0.09 0.00 -0.04 0.00 0.00 33.50 30.73 1x6g n PRO 10 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1x6g s THR 11 N 4.87 -0.00 0.08 0.52 2.01 -1.26 -5.13 115.64 116.73 1x6g s THR 11 Ca 0.54 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1x6g s THR 11 Cb 0.12 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.96 1x6g s THR 11 CO 0.04 0.00 0.00 -1.14 -0.69 0.00 0.00 174.62 172.83 1x6g n ARG 12 N 2.87 -0.47 -0.49 4.92 0.63 -1.26 -4.93 116.66 117.93 1x6g n ARG 12 Ca -0.14 0.36 -0.29 0.00 -0.92 0.00 0.00 57.85 56.87 1x6g n ARG 12 Cb 0.57 -0.55 0.25 0.00 0.45 0.00 0.00 32.46 33.17 1x6g n ARG 12 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x6g n ARG 13 N -2.58 -2.56 -2.41 -0.14 5.12 -1.26 -4.96 116.66 107.86 1x6g n ARG 13 Ca -0.01 -0.73 -0.33 0.00 -1.93 0.00 0.00 57.85 54.86 1x6g n ARG 13 Cb 0.10 -2.03 -0.03 0.00 -1.16 0.00 0.00 32.46 29.34 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x6g s TRP 14 N -2.33 3.15 0.42 -1.55 0.51 -1.26 -5.07 118.94 112.82 1x6g s TRP 14 Ca 0.66 1.54 0.08 0.00 -2.12 0.00 0.00 56.10 56.25 1x6g s TRP 14 Cb -0.22 -2.95 -0.01 0.00 -0.81 0.00 0.00 33.47 29.48 1x6g s TRP 14 CO 0.65 -0.68 0.43 0.00 -0.51 0.00 0.00 176.95 176.84 1x6g s ALA 15 N -2.30 4.19 -0.33 0.98 0.00 -1.26 -5.04 121.76 118.01 1x6g s ALA 15 Ca 0.63 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 1x6g s ALA 15 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.81 1x6g s ALA 15 CO 0.26 -0.24 1.36 -1.25 0.00 0.00 0.00 175.76 175.89 1x6g s PRO 16 N -4.19 3.81 0.00 0.00 0.04 -1.26 -2.75 135.00 130.65 1x6g s PRO 16 Ca 0.50 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1x6g s PRO 16 Cb -0.05 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1x6g s PRO 16 CO 0.29 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1x6g n GLY 17 N 4.56 0.94 3.82 0.56 0.00 -0.24 -4.92 105.19 109.92 1x6g n GLY 17 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1x6g n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x6g s THR 18 N -1.46 4.59 -0.28 2.61 2.01 -1.11 -4.72 115.64 117.29 1x6g s THR 18 Ca 0.00 1.22 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 1x6g s THR 18 Cb 0.00 -3.81 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 1x6g s THR 18 CO 0.00 0.14 0.59 -1.10 -0.69 0.00 0.00 174.62 173.56 1x6g s GLN 19 N -2.15 4.01 0.06 4.92 -0.21 -1.26 -1.86 119.66 123.17 1x6g s GLN 19 Ca 0.45 0.37 0.06 0.00 0.02 0.00 0.00 55.36 56.26 1x6g s GLN 19 Cb -0.15 -3.68 -0.04 0.00 1.00 0.00 0.00 33.01 30.14 1x6g s GLN 19 CO 0.20 -0.45 -0.12 0.00 -2.12 0.00 0.00 175.29 172.80 1x6g s ILE 21 N -1.06 3.42 0.26 0.00 -1.09 0.11 -2.50 121.20 120.33 1x6g s ILE 21 Ca 0.18 -1.67 -0.10 0.00 -2.23 0.00 0.00 60.65 56.84 1x6g s ILE 21 Cb -0.11 -2.74 -0.07 0.00 -1.58 0.00 0.00 42.46 37.96 1x6g s ILE 21 CO 0.09 -0.19 0.58 0.42 -1.23 0.00 0.00 174.94 174.62 1x6g s THR 22 N -1.90 4.90 -0.95 2.92 -4.23 -1.22 0.14 115.64 115.30 1x6g s THR 22 Ca 0.28 0.49 0.22 0.00 -1.18 0.00 0.00 61.69 61.50 1x6g s THR 22 Cb -0.08 -3.63 -0.17 0.00 1.34 0.00 0.00 72.50 69.95 1x6g s THR 22 CO 0.18 -0.14 1.02 0.29 -0.54 0.00 0.00 174.62 175.42 1x6g n LYS 23 N -0.32 0.03 -3.98 3.99 5.02 -1.23 -3.49 118.16 118.18 1x6g n LYS 23 Ca 0.01 -0.01 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1x6g n LYS 23 Cb 0.53 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 33.98 1x6g n LYS 23 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1x6g s GLU 25 N -4.01 3.41 -0.26 0.00 1.03 -1.26 -3.92 118.70 113.69 1x6g s GLU 25 Ca 0.21 -0.20 0.00 0.00 0.03 0.00 0.00 54.97 55.01 1x6g s GLU 25 Cb -0.01 -3.14 0.08 0.00 -0.80 0.00 0.00 34.13 30.26 1x6g s GLU 25 CO 0.08 0.74 0.02 -1.58 -1.33 0.00 0.00 175.26 173.19 1x6g s HIS 26 N -1.11 2.16 -0.15 4.83 2.46 0.47 -4.88 115.29 119.08 1x6g s HIS 26 Ca 0.19 -1.77 -0.08 0.00 0.47 0.00 0.00 55.06 53.87 1x6g s HIS 26 Cb -0.12 -1.70 -0.24 0.00 -0.13 0.00 0.00 32.58 30.38 1x6g s HIS 26 CO 0.08 -0.80 0.28 0.25 -2.47 0.00 0.00 174.74 172.08 1x6g n THR 27 N 4.73 1.72 -3.95 0.89 -2.24 -1.25 -0.28 114.28 113.89 1x6g n THR 27 Ca -0.07 -0.57 -0.30 0.00 -2.27 0.00 0.00 64.05 60.85 1x6g n THR 27 Cb 0.44 -1.75 -0.14 0.00 -2.10 0.00 0.00 70.33 66.78 1x6g n THR 27 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6g s ARG 28 N -2.53 1.89 0.99 -0.78 1.81 -1.26 -4.85 118.95 114.21 1x6g s ARG 28 Ca -0.25 -2.51 -0.15 0.00 -1.72 0.00 0.00 55.73 51.11 1x6g s ARG 28 Cb 0.07 -3.28 0.18 0.00 -0.45 0.00 0.00 34.95 31.48 1x6g s ARG 28 CO 0.73 -1.09 1.17 -1.25 -0.68 0.00 0.00 175.30 174.18 1x6g s PRO 29 N -0.11 0.52 1.25 3.54 0.04 -1.26 -5.04 135.00 133.94 1x6g s PRO 29 Ca 0.16 0.05 -0.17 0.00 0.04 0.00 0.00 61.00 61.08 1x6g s PRO 29 Cb -0.25 -1.79 0.31 0.00 0.04 0.00 0.00 34.50 32.81 1x6g s PRO 29 CO -0.01 -2.57 1.01 0.15 0.04 0.00 0.00 177.00 175.61 1x6g s LYS 30 N -5.45 -1.60 -0.83 4.56 1.02 -1.26 -4.84 119.74 111.33 1x6g s LYS 30 Ca 0.68 0.42 -0.25 0.00 0.02 0.00 0.00 55.97 56.84 1x6g s LYS 30 Cb -0.11 -1.51 0.00 0.00 -0.52 0.00 0.00 37.83 35.70 1x6g s LYS 30 CO 0.54 -4.07 1.63 -1.25 -0.92 0.00 0.00 175.35 171.28 1x6g s PRO 31 N -4.84 3.01 0.00 -1.68 0.04 -1.26 -2.11 135.00 128.16 1x6g s PRO 31 Ca 0.68 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.41 1x6g s PRO 31 Cb -0.18 -4.79 0.00 0.00 0.04 0.00 0.00 34.50 29.57 1x6g s PRO 31 CO 0.61 -2.62 0.00 0.41 0.04 0.00 0.00 177.00 175.44 1x6g n GLY 32 N 6.26 1.61 3.77 0.56 0.00 -1.26 -5.13 105.19 111.00 1x6g n GLY 32 Ca 0.25 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.01 1x6g n GLY 32 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x6g s GLU 33 N -0.09 2.22 0.25 1.61 2.02 -0.90 -4.73 118.70 119.09 1x6g s GLU 33 Ca 0.00 -1.95 0.05 0.00 0.02 0.00 0.00 54.97 53.09 1x6g s GLU 33 Cb 0.00 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.26 1x6g s GLU 33 CO 0.00 -0.24 0.38 -1.17 0.02 0.00 0.00 175.26 174.25 1x6g s LEU 34 N -3.97 4.27 0.07 1.80 2.96 -1.26 -4.78 118.68 117.77 1x6g s LEU 34 Ca 0.35 0.08 0.05 0.00 -0.22 0.00 0.00 54.13 54.39 1x6g s LEU 34 Cb 0.03 -2.88 -0.04 0.00 0.50 0.00 0.00 46.19 43.79 1x6g s LEU 34 CO 0.20 -0.11 -0.07 0.00 -1.32 0.00 0.00 176.35 175.05 1x6g s ALA 35 N -2.02 3.06 0.24 5.97 0.00 -1.26 -4.55 121.76 123.19 1x6g s ALA 35 Ca 0.35 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 1x6g s ALA 35 Cb -0.09 -1.04 0.02 0.00 0.00 0.00 0.00 23.12 22.01 1x6g s ALA 35 CO 0.30 0.65 0.59 -0.59 0.00 0.00 0.00 175.76 176.71 1x6g s PHE 36 N -1.17 -0.07 0.51 0.00 -0.12 0.61 -5.02 117.98 112.73 1x6g s PHE 36 Ca 0.21 -0.31 0.06 0.00 -0.05 0.00 0.00 56.93 56.84 1x6g s PHE 36 Cb -0.11 0.48 0.02 0.00 -0.63 0.00 0.00 43.02 42.77 1x6g s PHE 36 CO 0.13 -1.05 0.35 1.03 -0.05 0.00 0.00 175.22 175.63 1x6g s ARG 37 N -3.91 2.28 0.19 1.99 1.81 -1.26 0.18 118.95 120.23 1x6g s ARG 37 Ca 0.12 -1.96 -0.30 0.00 -1.72 0.00 0.00 55.73 51.87 1x6g s ARG 37 Cb -0.03 -2.08 -0.08 0.00 -0.45 0.00 0.00 34.95 32.31 1x6g s ARG 37 CO 0.03 -0.49 1.18 0.21 -0.68 0.00 0.00 175.30 175.55 1x6g s LYS 38 N -4.19 4.51 -0.73 3.54 2.20 -1.25 -3.41 119.74 120.42 1x6g s LYS 38 Ca 0.35 1.85 -0.01 0.00 -0.36 0.00 0.00 55.97 57.80 1x6g s LYS 38 Cb -0.01 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 33.07 1x6g s LYS 38 CO 0.21 -0.05 0.61 0.41 -0.36 0.00 0.00 175.35 176.18 1x6g n GLY 39 N 2.08 -0.02 3.79 5.54 0.00 -1.23 -4.97 105.19 110.39 1x6g n GLY 39 Ca 0.04 -0.13 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1x6g n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x6g s ASP 40 N -3.71 5.78 -0.12 1.61 1.01 -1.22 -4.90 116.67 115.12 1x6g s ASP 40 Ca 0.06 0.22 -0.12 0.00 0.71 0.00 0.00 52.55 53.42 1x6g s ASP 40 Cb -0.02 -1.71 -0.05 0.00 1.01 0.00 0.00 42.92 42.15 1x6g s ASP 40 CO 0.43 0.31 0.25 -0.69 0.21 0.00 0.00 175.17 175.68 1x6g s VAL 41 N -1.13 5.33 -0.01 -1.27 1.01 -1.26 -3.45 120.40 119.61 1x6g s VAL 41 Ca 0.20 0.46 -0.10 0.00 0.00 0.00 0.00 61.98 62.54 1x6g s VAL 41 Cb -0.12 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1x6g s VAL 41 CO 0.11 0.50 0.21 0.68 0.00 0.00 0.00 175.10 176.60 1x6g s VAL 42 N -0.27 0.06 -0.17 2.92 -7.23 -1.04 -3.11 120.40 111.57 1x6g s VAL 42 Ca 0.16 -0.53 -0.07 0.00 -1.81 0.00 0.00 61.98 59.73 1x6g s VAL 42 Cb -0.13 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.28 1x6g s VAL 42 CO 0.05 -0.29 0.06 -0.89 -0.31 0.00 0.00 175.10 173.71 1x6g s THR 43 N -1.19 4.74 -0.48 5.32 2.01 -1.18 -1.42 115.64 123.44 1x6g s THR 43 Ca -0.13 -0.06 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 1x6g s THR 43 Cb -0.06 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.28 1x6g s THR 43 CO 0.02 0.49 2.21 -0.63 -0.69 0.00 0.00 174.62 176.03 1x6g s ILE 44 N 0.15 3.12 -0.00 1.82 -1.09 -0.78 -1.99 121.20 122.43 1x6g s ILE 44 Ca 0.04 0.08 -0.11 0.00 -2.23 0.00 0.00 60.65 58.43 1x6g s ILE 44 Cb -0.12 -3.29 -0.06 0.00 -1.58 0.00 0.00 42.46 37.41 1x6g s ILE 44 CO 0.01 -0.27 0.75 -0.07 -1.23 0.00 0.00 174.94 174.13 1x6g h LEU 45 N 18.00 -0.35 -7.74 2.97 3.38 0.34 -0.61 115.31 131.30 1x6g h LEU 45 Ca -0.27 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1x6g h LEU 45 Cb 1.23 0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.93 1x6g h LEU 45 CO 1.15 -0.14 -0.32 -0.70 0.09 0.00 0.00 178.44 178.51 1x6g s GLU 46 N -3.18 0.88 -0.08 1.13 2.12 -0.97 -4.79 118.70 113.80 1x6g s GLU 46 Ca -0.06 -0.91 0.02 0.00 0.36 0.00 0.00 54.97 54.38 1x6g s GLU 46 Cb 0.01 0.36 -0.02 0.00 0.26 0.00 0.00 34.13 34.73 1x6g s GLU 46 CO 0.18 -0.29 -0.12 0.00 -0.54 0.00 0.00 175.26 174.49 1x6g s ALA 47 N -3.81 2.70 0.19 6.30 0.00 -1.26 -2.35 121.76 123.53 1x6g s ALA 47 Ca 0.04 -0.93 0.08 0.00 0.00 0.00 0.00 51.96 51.15 1x6g s ALA 47 Cb 0.04 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1x6g s ALA 47 CO -0.11 0.44 0.00 0.00 0.00 0.00 0.00 175.76 176.09 1x6g s GLU 49 N -3.11 3.40 0.00 0.00 2.02 -1.26 -3.96 118.70 115.79 1x6g s GLU 49 Ca 0.28 1.12 0.00 0.00 0.02 0.00 0.00 54.97 56.39 1x6g s GLU 49 Cb -0.09 -4.13 0.00 0.00 0.10 0.00 0.00 34.13 30.01 1x6g s GLU 49 CO 0.19 -1.79 0.00 -1.71 0.02 0.00 0.00 175.26 171.97 1x6g n ASN 50 N 9.76 0.00 -1.32 -0.19 2.85 -1.26 -4.98 115.26 120.12 1x6g n ASN 50 Ca 0.19 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.52 1x6g n ASN 50 Cb 0.48 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.46 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 1x6g n LYS 51 N 0.00 -1.04 -0.69 1.20 5.02 -1.25 -4.79 118.16 116.61 1x6g n LYS 51 Ca 0.00 0.84 -0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1x6g n LYS 51 Cb 0.00 -5.02 -0.01 0.00 -0.02 0.00 0.00 35.03 29.98 1x6g n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x6g n SER 52 N -0.45 -0.01 -3.55 4.39 2.88 -1.26 -4.92 113.62 110.70 1x6g n SER 52 Ca -0.15 -1.62 -0.17 0.00 -1.33 0.00 0.00 58.87 55.60 1x6g n SER 52 Cb 0.54 -0.07 -0.06 0.00 -0.75 0.00 0.00 64.21 63.86 1x6g n SER 52 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1x6g s TRP 53 N 0.00 -0.67 -0.18 0.66 0.52 -1.26 -2.97 118.94 115.04 1x6g s TRP 53 Ca 0.04 1.27 -0.09 0.00 0.02 0.00 0.00 56.10 57.34 1x6g s TRP 53 Cb 0.05 0.37 0.06 0.00 -1.15 0.00 0.00 33.47 32.80 1x6g s TRP 53 CO -0.02 -0.55 0.42 0.71 0.02 0.00 0.00 176.95 177.53 1x6g s TYR 54 N -0.85 -0.66 -0.38 -1.98 2.02 0.16 -4.44 117.35 111.23 1x6g s TYR 54 Ca -0.09 1.37 -0.22 0.00 -0.37 0.00 0.00 57.07 57.76 1x6g s TYR 54 Cb -0.01 0.29 0.01 0.00 -0.40 0.00 0.00 41.96 41.85 1x6g s TYR 54 CO 0.08 -0.37 0.71 0.50 -1.57 0.00 0.00 175.55 174.90 1x6g s ARG 55 N 1.61 3.64 0.49 -0.62 3.52 -0.99 0.38 118.95 126.97 1x6g s ARG 55 Ca -0.08 0.10 0.02 0.00 -0.13 0.00 0.00 55.73 55.64 1x6g s ARG 55 Cb -0.09 -3.84 -0.02 0.00 -1.56 0.00 0.00 34.95 29.45 1x6g s ARG 55 CO -0.13 -0.85 0.02 0.14 -0.81 0.00 0.00 175.30 173.67 1x6g s VAL 56 N 2.95 1.13 -0.10 7.11 -7.23 -1.20 1.00 120.40 124.06 1x6g s VAL 56 Ca 0.28 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 1x6g s VAL 56 Cb -0.14 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.57 1x6g s VAL 56 CO 0.17 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.01 1x6g s LYS 57 N -3.84 2.57 -0.16 4.82 2.20 -0.84 -3.31 119.74 121.17 1x6g s LYS 57 Ca 0.10 -0.71 -0.29 0.00 -0.36 0.00 0.00 55.97 54.71 1x6g s LYS 57 Cb 0.02 -2.02 -0.01 0.00 -1.51 0.00 0.00 37.83 34.31 1x6g s LYS 57 CO 0.05 0.09 1.21 -1.58 -0.36 0.00 0.00 175.35 174.77 1x6g s HIS 58 N 0.56 2.98 0.00 4.03 5.65 -0.73 -3.08 115.29 124.70 1x6g s HIS 58 Ca -0.15 1.12 0.00 0.00 0.25 0.00 0.00 55.06 56.28 1x6g s HIS 58 Cb -0.17 -3.45 0.00 0.00 -1.18 0.00 0.00 32.58 27.78 1x6g s HIS 58 CO 0.05 -1.43 0.62 1.58 -0.65 0.00 0.00 174.74 174.92 1x6g n HIS 59 N 6.37 0.00 -0.15 3.88 -0.00 -1.18 0.16 115.22 124.30 1x6g n HIS 59 Ca 0.13 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.24 1x6g n HIS 59 Cb 0.45 -0.12 -0.06 0.00 -0.12 0.00 0.00 29.99 30.14 1x6g n HIS 59 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 1x6g h THR 60 N 0.00 0.00 0.00 3.57 2.02 -1.93 -3.00 112.91 113.57 1x6g h THR 60 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1x6g h THR 60 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1x6g h THR 60 CO 0.00 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 174.69 1x6g n SER 61 N -4.32 0.00 0.00 4.18 7.64 -1.25 -4.94 113.62 114.93 1x6g n SER 61 Ca -0.01 0.77 0.00 0.00 1.01 0.00 0.00 58.87 60.64 1x6g n SER 61 Cb 0.18 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 1x6g n SER 61 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 62 N -0.85 1.42 4.03 0.23 0.00 0.42 -5.03 105.19 105.40 1x6g n GLY 62 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1x6g n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x6g s GLN 63 N -0.07 2.28 -0.13 1.61 -0.21 -1.24 -4.84 119.66 117.06 1x6g s GLN 63 Ca 0.00 -1.70 -0.03 0.00 0.02 0.00 0.00 55.36 53.66 1x6g s GLN 63 Cb 0.00 -2.60 0.05 0.00 1.00 0.00 0.00 33.01 31.46 1x6g s GLN 63 CO 0.00 -0.87 0.04 -1.21 -2.12 0.00 0.00 175.29 171.13 1x6g s GLU 64 N -4.65 0.41 0.06 2.91 2.02 -1.26 -1.78 118.70 116.42 1x6g s GLU 64 Ca 0.60 -0.07 -0.06 0.00 0.02 0.00 0.00 54.97 55.46 1x6g s GLU 64 Cb -0.05 -1.46 -0.01 0.00 0.10 0.00 0.00 34.13 32.71 1x6g s GLU 64 CO 0.38 -0.49 0.12 0.20 0.02 0.00 0.00 175.26 175.49 1x6g s GLY 65 N 2.00 0.18 0.57 -1.39 0.00 -1.21 -4.92 107.32 102.56 1x6g s GLY 65 Ca 0.02 -0.69 -0.19 0.00 0.00 0.00 0.00 44.72 43.86 1x6g s GLY 65 CO -0.07 -0.85 1.18 1.08 0.00 0.00 0.00 173.10 174.44 1x6g s LEU 66 N -2.63 3.70 0.03 0.66 1.43 -1.26 -3.24 118.68 117.37 1x6g s LEU 66 Ca 0.02 2.32 0.04 0.00 -1.03 0.00 0.00 54.13 55.48 1x6g s LEU 66 Cb 0.04 -4.59 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 1x6g s LEU 66 CO -0.09 -1.46 -0.13 -0.22 0.23 0.00 0.00 176.35 174.69 1x6g s LEU 67 N -3.97 2.16 -0.27 1.79 0.20 0.16 -4.15 118.68 114.59 1x6g s LEU 67 Ca 0.76 -0.42 -0.29 0.00 0.69 0.00 0.00 54.13 54.87 1x6g s LEU 67 Cb -0.28 -0.54 -0.00 0.00 -0.43 0.00 0.00 46.19 44.93 1x6g s LEU 67 CO 0.31 0.02 1.30 0.00 -0.29 0.00 0.00 176.35 177.69 1x6g s ALA 68 N -0.80 3.42 0.60 5.97 0.00 -1.26 0.38 121.76 130.07 1x6g s ALA 68 Ca 0.01 0.18 0.28 0.00 0.00 0.00 0.00 51.96 52.43 1x6g s ALA 68 Cb -0.07 -3.75 1.38 0.00 0.00 0.00 0.00 23.12 20.68 1x6g s ALA 68 CO 0.01 -1.66 1.79 0.00 0.00 0.00 0.00 175.76 175.90 1x6g h ALA 69 N 9.12 2.20 -0.61 0.00 0.00 -1.82 0.48 119.26 128.63 1x6g h ALA 69 Ca -0.26 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.24 1x6g h ALA 69 Cb 1.10 0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.75 1x6g h ALA 69 CO 1.02 -0.84 0.51 0.41 0.00 0.00 0.00 179.25 180.34 1x6g n GLY 70 N -1.50 4.32 0.89 0.00 0.00 -1.26 -3.64 105.19 104.00 1x6g n GLY 70 Ca 0.09 -1.23 -0.05 0.00 0.00 0.00 0.00 46.02 44.83 1x6g n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x6g n ALA 71 N -0.10 3.21 -2.74 4.61 0.00 0.17 -5.04 120.51 120.61 1x6g n ALA 71 Ca 0.38 -0.60 -0.16 0.00 0.00 0.00 0.00 53.44 53.05 1x6g n ALA 71 Cb 0.74 -0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 1x6g n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1x6g s LEU 72 N 0.00 2.28 0.23 0.00 1.43 -1.24 -3.58 118.68 117.80 1x6g s LEU 72 Ca 0.02 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.48 1x6g s LEU 72 Cb 0.02 -0.38 -0.03 0.00 0.03 0.00 0.00 46.19 45.83 1x6g s LEU 72 CO -0.01 -0.13 0.23 0.00 0.23 0.00 0.00 176.35 176.66 1x6g s ARG 73 N -1.75 1.35 -0.53 1.70 1.04 0.36 -4.89 118.95 116.22 1x6g s ARG 73 Ca -0.04 -1.59 -0.21 0.00 -1.04 0.00 0.00 55.73 52.84 1x6g s ARG 73 Cb -0.10 0.32 0.05 0.00 -2.04 0.00 0.00 34.95 33.19 1x6g s ARG 73 CO 0.01 -0.48 0.77 -2.00 -0.04 0.00 0.00 175.30 173.57 1x6g s GLU 74 N -4.02 3.22 0.24 3.89 2.12 -1.26 0.07 118.70 122.95 1x6g s GLU 74 Ca 0.36 -0.61 -0.12 0.00 0.36 0.00 0.00 54.97 54.95 1x6g s GLU 74 Cb 0.05 -4.08 0.32 0.00 0.26 0.00 0.00 34.13 30.68 1x6g s GLU 74 CO 0.13 -1.35 1.46 -2.13 -0.54 0.00 0.00 175.26 172.84 1x6g n ARG 75 N 6.77 -0.16 -3.04 4.30 0.63 -1.25 -4.13 116.66 119.79 1x6g n ARG 75 Ca -0.03 1.46 -0.40 0.00 -0.92 0.00 0.00 57.85 57.96 1x6g n ARG 75 Cb 0.46 -2.17 -0.05 0.00 0.45 0.00 0.00 32.46 31.15 1x6g n ARG 75 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1x6g s SER 76 N -5.30 7.16 0.37 6.15 0.01 -1.26 -5.04 113.70 115.79 1x6g s SER 76 Ca -0.13 1.39 -0.10 0.00 1.31 0.00 0.00 55.95 58.41 1x6g s SER 76 Cb 0.22 -2.44 0.03 0.00 0.21 0.00 0.00 66.02 64.04 1x6g s SER 76 CO 0.70 0.05 0.66 -0.83 0.41 0.00 0.00 173.24 174.23 1x6g s GLY 77 N -0.14 0.83 -1.15 3.44 0.00 -1.26 -5.07 107.32 103.97 1x6g s GLY 77 Ca 0.37 -1.07 -0.21 0.00 0.00 0.00 0.00 44.72 43.80 1x6g s GLY 77 CO 0.22 -0.59 1.79 2.56 0.00 0.00 0.00 173.10 177.07 1x6g s PRO 78 N -2.61 3.19 0.31 2.90 0.04 -1.26 -4.93 135.00 132.64 1x6g s PRO 78 Ca 0.22 -1.29 0.08 0.00 0.04 0.00 0.00 61.00 60.05 1x6g s PRO 78 Cb -0.03 -5.33 -0.04 0.00 0.04 0.00 0.00 34.50 29.14 1x6g s PRO 78 CO 0.15 -3.01 0.15 0.45 0.04 0.00 0.00 177.00 174.78 1x6g s SER 79 N 5.73 4.87 -0.07 6.66 0.15 -1.26 -5.04 113.70 124.75 1x6g s SER 79 Ca 0.60 -0.63 0.12 0.00 0.70 0.00 0.00 55.95 56.74 1x6g s SER 79 Cb -0.00 -0.88 0.23 0.00 -1.71 0.00 0.00 66.02 63.65 1x6g s SER 79 CO 0.05 -0.22 1.11 -1.54 1.20 0.00 0.00 173.24 173.84 1x6g n SER 80 N -1.14 1.13 0.00 5.45 3.41 -1.26 -5.29 113.62 115.92 1x6g n SER 80 Ca -0.04 -2.60 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 1x6g n SER 80 Cb 0.60 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49