#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6g s SER 2 N 0.00 -0.14 -0.17 1.61 0.15 -1.26 -5.07 113.70 108.82 1x6g s SER 2 Ca 0.00 0.23 -0.14 0.00 0.70 0.00 0.00 55.95 56.74 1x6g s SER 2 Cb 0.00 0.32 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 1x6g s SER 2 CO 0.00 -0.13 -0.23 -1.20 1.20 0.00 0.00 173.24 172.88 1x6g n SER 3 N 2.65 1.87 -1.09 5.45 7.64 -1.26 -5.11 113.62 123.77 1x6g n SER 3 Ca -0.15 0.48 0.10 0.00 1.01 0.00 0.00 58.87 60.31 1x6g n SER 3 Cb 0.58 -0.82 -0.05 0.00 -1.01 0.00 0.00 64.21 62.90 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 1.52 -3.34 2.93 0.23 0.00 -1.26 -4.99 105.19 100.28 1x6g n GLY 4 Ca -0.15 -1.11 -0.12 0.00 0.00 0.00 0.00 46.02 44.65 1x6g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6g s SER 5 N -6.03 0.45 -0.26 1.61 1.04 -1.26 -5.13 113.70 104.13 1x6g s SER 5 Ca 0.00 0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.64 1x6g s SER 5 Cb 0.00 0.93 0.01 0.00 0.10 0.00 0.00 66.02 67.06 1x6g s SER 5 CO 0.00 -0.29 0.01 -0.94 0.98 0.00 0.00 173.24 173.00 1x6g s SER 6 N 2.49 4.69 0.70 7.02 1.04 -1.26 -5.09 113.70 123.30 1x6g s SER 6 Ca 0.08 -0.65 -0.16 0.00 0.48 0.00 0.00 55.95 55.70 1x6g s SER 6 Cb -0.15 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.21 1x6g s SER 6 CO -0.14 -0.12 1.24 -0.83 0.98 0.00 0.00 173.24 174.37 1x6g s GLY 7 N 1.45 2.54 -0.70 7.32 0.00 -1.26 -4.95 107.32 111.73 1x6g s GLY 7 Ca 0.03 1.02 -0.16 0.00 0.00 0.00 0.00 44.72 45.61 1x6g s GLY 7 CO -0.01 1.44 0.69 0.50 0.00 0.00 0.00 173.10 175.72 1x6g s ARG 8 N -3.70 3.30 -0.04 2.90 0.52 -1.26 -5.01 118.95 115.66 1x6g s ARG 8 Ca 0.78 -1.97 -0.15 0.00 -0.52 0.00 0.00 55.73 53.87 1x6g s ARG 8 Cb -0.33 -4.39 0.03 0.00 0.52 0.00 0.00 34.95 30.78 1x6g s ARG 8 CO 0.43 -1.38 0.34 -1.64 0.02 0.00 0.00 175.30 173.07 1x6g s MET 9 N 1.25 0.64 -1.00 3.54 -1.94 -1.26 -5.09 119.30 115.44 1x6g s MET 9 Ca 0.13 -0.03 -0.23 0.00 -1.71 0.00 0.00 55.69 53.84 1x6g s MET 9 Cb -0.19 0.29 0.00 0.00 2.01 0.00 0.00 34.83 36.94 1x6g s MET 9 CO -0.02 -0.16 1.71 -1.25 -0.01 0.00 0.00 175.02 175.29 1x6g s PRO 10 N -1.01 3.11 0.00 2.03 0.04 -1.26 -4.94 135.00 132.97 1x6g s PRO 10 Ca -0.11 -0.83 0.07 0.00 0.04 0.00 0.00 61.00 60.17 1x6g s PRO 10 Cb -0.04 -5.24 -0.03 0.00 0.04 0.00 0.00 34.50 29.23 1x6g s PRO 10 CO 0.04 -2.83 -0.20 0.99 0.04 0.00 0.00 177.00 175.04 1x6g s THR 11 N 7.49 2.62 -0.29 1.26 2.01 -1.26 -5.11 115.64 122.35 1x6g s THR 11 Ca 0.58 -1.07 -0.14 0.00 0.31 0.00 0.00 61.69 61.36 1x6g s THR 11 Cb -0.03 -2.03 0.13 0.00 0.01 0.00 0.00 72.50 70.58 1x6g s THR 11 CO -0.03 0.46 0.84 -0.60 -0.69 0.00 0.00 174.62 174.60 1x6g s ARG 12 N -1.05 0.47 0.32 4.92 3.52 -1.26 -5.18 118.95 120.70 1x6g s ARG 12 Ca 0.12 0.98 0.02 0.00 -0.13 0.00 0.00 55.73 56.73 1x6g s ARG 12 Cb -0.10 0.36 -0.02 0.00 -1.56 0.00 0.00 34.95 33.63 1x6g s ARG 12 CO 0.02 -0.13 0.35 1.03 -0.81 0.00 0.00 175.30 175.76 1x6g s ARG 13 N 2.04 1.77 0.32 5.12 1.81 -1.26 -5.15 118.95 123.60 1x6g s ARG 13 Ca -0.07 -1.86 -0.26 0.00 -1.72 0.00 0.00 55.73 51.82 1x6g s ARG 13 Cb -0.06 0.37 -0.10 0.00 -0.45 0.00 0.00 34.95 34.71 1x6g s ARG 13 CO -0.18 -0.68 0.94 -1.58 -0.68 0.00 0.00 175.30 173.12 1x6g s TRP 14 N -3.36 3.69 0.55 -0.53 0.51 -1.26 -5.07 118.94 113.48 1x6g s TRP 14 Ca 0.36 1.77 0.09 0.00 -2.12 0.00 0.00 56.10 56.21 1x6g s TRP 14 Cb 0.02 -2.91 0.08 0.00 -0.81 0.00 0.00 33.47 29.84 1x6g s TRP 14 CO 0.23 0.21 0.75 0.00 -0.51 0.00 0.00 176.95 177.64 1x6g s ALA 15 N -1.61 4.68 -0.05 0.98 0.00 -1.26 -4.96 121.76 119.54 1x6g s ALA 15 Ca 0.50 -2.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.10 1x6g s ALA 15 Cb -0.19 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 1x6g s ALA 15 CO 0.24 -0.77 1.22 -1.25 0.00 0.00 0.00 175.76 175.19 1x6g s PRO 16 N -4.61 4.35 0.00 0.00 0.04 -1.26 -2.75 135.00 130.76 1x6g s PRO 16 Ca 0.60 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.34 1x6g s PRO 16 Cb -0.06 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1x6g s PRO 16 CO 0.38 -0.45 0.00 0.41 0.04 0.00 0.00 177.00 177.38 1x6g n GLY 17 N 3.38 0.61 3.77 0.56 0.00 -0.54 -4.95 105.19 108.03 1x6g n GLY 17 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.00 4.24 0.03 2.61 2.01 -1.11 -4.71 115.64 116.70 1x6g s THR 18 Ca 0.00 1.85 -0.18 0.00 0.31 0.00 0.00 61.69 63.68 1x6g s THR 18 Cb 0.00 -4.20 -0.06 0.00 0.01 0.00 0.00 72.50 68.25 1x6g s THR 18 CO 0.00 0.49 0.51 -1.10 -0.69 0.00 0.00 174.62 173.82 1x6g s GLN 19 N -1.23 4.12 0.18 4.92 -0.21 -1.26 -1.80 119.66 124.38 1x6g s GLN 19 Ca 0.39 0.60 0.05 0.00 0.02 0.00 0.00 55.36 56.41 1x6g s GLN 19 Cb -0.24 -3.25 -0.05 0.00 1.00 0.00 0.00 33.01 30.47 1x6g s GLN 19 CO 0.28 0.60 -0.08 0.00 -2.12 0.00 0.00 175.29 173.98 1x6g s ILE 21 N -3.29 1.33 0.13 0.00 -1.09 0.07 -2.85 121.20 115.50 1x6g s ILE 21 Ca 0.21 -1.04 -0.27 0.00 -2.23 0.00 0.00 60.65 57.32 1x6g s ILE 21 Cb 0.03 -1.17 -0.07 0.00 -1.58 0.00 0.00 42.46 39.67 1x6g s ILE 21 CO 0.04 0.11 0.86 0.42 -1.23 0.00 0.00 174.94 175.14 1x6g s THR 22 N -0.78 4.45 -1.07 2.92 -4.23 -1.22 -0.16 115.64 115.55 1x6g s THR 22 Ca 0.04 1.86 0.27 0.00 -1.18 0.00 0.00 61.69 62.69 1x6g s THR 22 Cb -0.08 -4.22 0.15 0.00 1.34 0.00 0.00 72.50 69.69 1x6g s THR 22 CO 0.01 0.41 1.67 0.29 -0.54 0.00 0.00 174.62 176.47 1x6g n LYS 23 N 2.26 0.08 -4.05 3.99 5.02 -1.18 -2.73 118.16 121.55 1x6g n LYS 23 Ca -0.02 -0.03 -0.10 0.00 -2.02 0.00 0.00 58.31 56.14 1x6g n LYS 23 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.94 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 3.23 -0.29 0.00 -1.05 -1.26 -4.02 118.70 111.30 1x6g s GLU 25 Ca 0.27 -0.28 0.03 0.00 -0.15 0.00 0.00 54.97 54.84 1x6g s GLU 25 Cb 0.01 -2.99 0.08 0.00 -0.44 0.00 0.00 34.13 30.79 1x6g s GLU 25 CO 0.10 0.72 -0.03 -1.58 0.95 0.00 0.00 175.26 175.43 1x6g s HIS 26 N -0.91 3.15 -0.12 4.83 2.46 0.50 -4.89 115.29 120.31 1x6g s HIS 26 Ca 0.14 -2.41 0.18 0.00 0.47 0.00 0.00 55.06 53.44 1x6g s HIS 26 Cb -0.12 -2.19 -0.19 0.00 -0.13 0.00 0.00 32.58 29.95 1x6g s HIS 26 CO 0.03 -0.88 0.61 0.25 -2.47 0.00 0.00 174.74 172.27 1x6g n THR 27 N 4.45 1.07 -3.61 0.89 -2.24 -1.25 0.02 114.28 113.60 1x6g n THR 27 Ca -0.06 -0.70 -0.29 0.00 -2.27 0.00 0.00 64.05 60.72 1x6g n THR 27 Cb 0.42 -0.58 -0.13 0.00 -2.10 0.00 0.00 70.33 67.94 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 -2.91 0.92 1.03 -0.78 1.81 -1.26 -4.92 118.95 112.84 1x6g s ARG 28 Ca -0.05 -1.62 -0.16 0.00 -1.72 0.00 0.00 55.73 52.18 1x6g s ARG 28 Cb 0.09 -1.87 0.21 0.00 -0.45 0.00 0.00 34.95 32.94 1x6g s ARG 28 CO 0.83 -1.16 1.19 -1.25 -0.68 0.00 0.00 175.30 174.23 1x6g s PRO 29 N 0.79 0.13 1.21 3.54 0.04 -1.26 -5.05 135.00 134.40 1x6g s PRO 29 Ca 0.17 -0.09 -0.18 0.00 0.04 0.00 0.00 61.00 60.94 1x6g s PRO 29 Cb -0.23 -1.76 0.29 0.00 0.04 0.00 0.00 34.50 32.84 1x6g s PRO 29 CO -0.02 -2.81 1.05 0.15 0.04 0.00 0.00 177.00 175.41 1x6g s LYS 30 N -5.55 -1.27 -0.90 4.56 1.02 -1.26 -4.86 119.74 111.48 1x6g s LYS 30 Ca 0.70 0.21 -0.24 0.00 0.02 0.00 0.00 55.97 56.65 1x6g s LYS 30 Cb -0.09 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.66 1x6g s LYS 30 CO 0.54 -3.80 1.66 -1.25 -0.92 0.00 0.00 175.35 171.58 1x6g s PRO 31 N -5.11 3.05 0.00 -1.68 0.04 -1.26 -2.27 135.00 127.78 1x6g s PRO 31 Ca 0.69 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.20 1x6g s PRO 31 Cb -0.14 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1x6g s PRO 31 CO 0.58 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 175.33 1x6g n GLY 32 N 6.58 1.81 3.78 0.56 0.00 -1.26 -5.13 105.19 111.54 1x6g n GLY 32 Ca 0.31 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.08 2.23 0.19 1.61 2.02 -0.96 -4.68 118.70 119.02 1x6g s GLU 33 Ca 0.00 -2.43 0.06 0.00 0.02 0.00 0.00 54.97 52.62 1x6g s GLU 33 Cb 0.00 -1.53 -0.04 0.00 0.10 0.00 0.00 34.13 32.66 1x6g s GLU 33 CO 0.00 -0.41 0.11 -1.17 0.02 0.00 0.00 175.26 173.82 1x6g s LEU 34 N -3.91 3.68 0.20 1.80 2.96 -1.25 -4.81 118.68 117.35 1x6g s LEU 34 Ca 0.02 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1x6g s LEU 34 Cb 0.00 -2.28 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1x6g s LEU 34 CO 0.01 0.05 0.02 0.00 -1.32 0.00 0.00 176.35 175.11 1x6g s ALA 35 N -1.84 3.23 0.27 5.97 0.00 -1.26 -4.57 121.76 123.56 1x6g s ALA 35 Ca 0.31 -1.43 -0.21 0.00 0.00 0.00 0.00 51.96 50.63 1x6g s ALA 35 Cb -0.09 -0.98 0.04 0.00 0.00 0.00 0.00 23.12 22.09 1x6g s ALA 35 CO 0.22 0.41 0.82 -0.59 0.00 0.00 0.00 175.76 176.63 1x6g s PHE 36 N -1.90 -0.08 0.32 0.00 -0.12 0.10 -5.00 117.98 111.31 1x6g s PHE 36 Ca 0.29 -0.39 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1x6g s PHE 36 Cb -0.09 0.72 0.03 0.00 -0.63 0.00 0.00 43.02 43.06 1x6g s PHE 36 CO 0.19 -1.20 0.25 0.54 -0.05 0.00 0.00 175.22 174.96 1x6g n ARG 37 N -0.50 1.00 -2.72 1.99 5.12 -1.26 0.19 116.66 120.48 1x6g n ARG 37 Ca -0.05 -2.01 -0.42 0.00 -1.93 0.00 0.00 57.85 53.43 1x6g n ARG 37 Cb 0.60 0.20 -0.03 0.00 -1.16 0.00 0.00 32.46 32.07 1x6g n ARG 37 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1x6g s LYS 38 N -3.33 4.41 -0.10 5.56 2.20 -1.26 -3.69 119.74 123.52 1x6g s LYS 38 Ca 0.19 1.33 -0.00 0.00 -0.36 0.00 0.00 55.97 57.13 1x6g s LYS 38 Cb -0.02 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 1x6g s LYS 38 CO 0.12 -0.31 0.09 0.41 -0.36 0.00 0.00 175.35 175.30 1x6g n GLY 39 N 3.14 0.43 3.87 5.54 0.00 -1.10 -4.97 105.19 112.09 1x6g n GLY 39 Ca 0.08 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.10 6.26 -0.18 1.61 1.11 -1.24 -4.89 116.67 116.23 1x6g s ASP 40 Ca 0.01 0.37 -0.10 0.00 0.18 0.00 0.00 52.55 53.00 1x6g s ASP 40 Cb -0.00 -1.97 -0.05 0.00 1.07 0.00 0.00 42.92 41.97 1x6g s ASP 40 CO 0.06 0.34 0.16 -0.69 1.18 0.00 0.00 175.17 176.22 1x6g s VAL 41 N -1.16 5.40 0.13 -1.27 1.01 -1.26 -3.43 120.40 119.82 1x6g s VAL 41 Ca 0.21 0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.42 1x6g s VAL 41 Cb -0.12 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1x6g s VAL 41 CO 0.11 0.45 0.09 0.68 0.00 0.00 0.00 175.10 176.42 1x6g s VAL 42 N 0.25 0.10 -0.06 2.92 -7.23 -1.13 -3.18 120.40 112.07 1x6g s VAL 42 Ca 0.10 -1.82 0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1x6g s VAL 42 Cb -0.11 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 1x6g s VAL 42 CO -0.00 -0.46 -0.22 -0.89 -0.31 0.00 0.00 175.10 173.21 1x6g s THR 43 N -4.03 2.32 -0.52 5.32 2.01 -1.11 -2.47 115.64 117.16 1x6g s THR 43 Ca 0.22 -0.97 -0.27 0.00 0.31 0.00 0.00 61.69 60.98 1x6g s THR 43 Cb 0.07 -1.87 -0.03 0.00 0.01 0.00 0.00 72.50 70.68 1x6g s THR 43 CO 0.01 0.57 1.97 -0.63 -0.69 0.00 0.00 174.62 175.85 1x6g s ILE 44 N -0.25 3.30 0.01 1.82 -1.09 -0.75 -1.43 121.20 122.82 1x6g s ILE 44 Ca -0.01 0.21 -0.21 0.00 -2.23 0.00 0.00 60.65 58.42 1x6g s ILE 44 Cb -0.13 -3.67 -0.12 0.00 -1.58 0.00 0.00 42.46 36.96 1x6g s ILE 44 CO 0.03 -0.60 1.00 -0.07 -1.23 0.00 0.00 174.94 174.06 1x6g h LEU 45 N 16.50 -0.64 -8.19 2.97 3.38 -0.80 -1.42 115.31 127.10 1x6g h LEU 45 Ca -0.27 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.59 1x6g h LEU 45 Cb 1.19 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.94 1x6g h LEU 45 CO 1.16 -0.33 -0.68 -1.61 0.09 0.00 0.00 178.44 177.08 1x6g s GLU 46 N -4.17 0.57 -0.31 1.13 2.02 -1.12 -4.79 118.70 112.03 1x6g s GLU 46 Ca -0.11 -1.12 -0.04 0.00 0.02 0.00 0.00 54.97 53.72 1x6g s GLU 46 Cb 0.01 0.20 0.04 0.00 0.10 0.00 0.00 34.13 34.48 1x6g s GLU 46 CO 0.33 -0.10 0.04 0.00 0.02 0.00 0.00 175.26 175.55 1x6g s ALA 47 N -3.54 2.90 -0.42 5.21 0.00 -1.26 -3.84 121.76 120.82 1x6g s ALA 47 Ca 0.03 -1.68 0.09 0.00 0.00 0.00 0.00 51.96 50.40 1x6g s ALA 47 Cb 0.05 -2.04 0.32 0.00 0.00 0.00 0.00 23.12 21.45 1x6g s ALA 47 CO -0.09 -1.20 0.90 0.00 0.00 0.00 0.00 175.76 175.38 1x6g n GLU 49 N 0.50 1.20 -0.04 0.00 4.07 -1.26 -4.78 120.64 120.34 1x6g n GLU 49 Ca 0.15 0.30 -0.05 0.00 -0.06 0.00 0.00 57.16 57.50 1x6g n GLU 49 Cb 0.67 -2.65 -0.02 0.00 -0.06 0.00 0.00 31.44 29.38 1x6g n GLU 49 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1x6g n ASN 50 N 10.70 1.42 -2.94 4.31 3.02 -1.26 -4.88 115.26 125.64 1x6g n ASN 50 Ca 0.40 0.23 -0.14 0.00 -0.03 0.00 0.00 54.58 55.04 1x6g n ASN 50 Cb 0.29 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 38.88 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x6g n LYS 51 N -3.91 1.05 -2.73 3.52 5.02 -1.26 -4.95 118.16 114.90 1x6g n LYS 51 Ca -0.08 -3.21 -0.10 0.00 -2.02 0.00 0.00 58.31 52.90 1x6g n LYS 51 Cb 0.31 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 33.94 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x6g n SER 52 N 0.12 -4.82 -3.95 4.39 7.64 -1.26 -4.87 113.62 110.87 1x6g n SER 52 Ca 0.17 -0.48 -0.09 0.00 1.01 0.00 0.00 58.87 59.48 1x6g n SER 52 Cb 0.73 -3.72 -0.09 0.00 -1.01 0.00 0.00 64.21 60.12 1x6g n SER 52 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1x6g s TRP 53 N -3.26 0.26 -0.15 1.43 0.52 -1.26 0.45 118.94 116.93 1x6g s TRP 53 Ca 0.28 -0.63 -0.07 0.00 0.02 0.00 0.00 56.10 55.70 1x6g s TRP 53 Cb -0.04 -0.18 0.06 0.00 -1.15 0.00 0.00 33.47 32.16 1x6g s TRP 53 CO 0.50 -0.38 0.34 0.71 0.02 0.00 0.00 176.95 178.14 1x6g s TYR 54 N -2.99 -0.52 -0.47 -1.98 2.02 0.99 -4.39 117.35 110.02 1x6g s TYR 54 Ca -0.02 1.12 -0.29 0.00 -0.37 0.00 0.00 57.07 57.51 1x6g s TYR 54 Cb 0.01 0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.76 1x6g s TYR 54 CO -0.06 -0.33 1.12 0.50 -1.57 0.00 0.00 175.55 175.21 1x6g s ARG 55 N 1.65 3.72 0.42 -0.62 3.52 -1.25 -0.63 118.95 125.75 1x6g s ARG 55 Ca -0.07 0.55 0.04 0.00 -0.13 0.00 0.00 55.73 56.12 1x6g s ARG 55 Cb -0.10 -3.90 -0.05 0.00 -1.56 0.00 0.00 34.95 29.34 1x6g s ARG 55 CO -0.11 -1.35 0.04 0.14 -0.81 0.00 0.00 175.30 173.21 1x6g s VAL 56 N 4.36 1.36 -0.13 7.11 -7.23 -1.07 -0.07 120.40 124.73 1x6g s VAL 56 Ca 0.47 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.66 1x6g s VAL 56 Cb -0.08 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1x6g s VAL 56 CO 0.31 0.00 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.14 1x6g s LYS 57 N -3.80 3.09 -0.13 4.82 2.20 -0.51 -3.04 119.74 122.37 1x6g s LYS 57 Ca 0.25 -0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 54.73 1x6g s LYS 57 Cb 0.06 -2.43 -0.01 0.00 -1.51 0.00 0.00 37.83 33.93 1x6g s LYS 57 CO 0.13 0.07 1.13 -1.58 -0.36 0.00 0.00 175.35 174.74 1x6g s HIS 58 N 0.62 3.22 0.00 4.03 5.65 -0.49 -2.74 115.29 125.58 1x6g s HIS 58 Ca -0.11 1.31 0.00 0.00 0.25 0.00 0.00 55.06 56.51 1x6g s HIS 58 Cb -0.16 -3.35 0.00 0.00 -1.18 0.00 0.00 32.58 27.88 1x6g s HIS 58 CO 0.03 -0.96 0.82 1.58 -0.65 0.00 0.00 174.74 175.55 1x6g n HIS 59 N 5.73 0.00 -0.03 3.88 -0.00 -1.19 0.18 115.22 123.79 1x6g n HIS 59 Ca 0.11 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.20 1x6g n HIS 59 Cb 0.46 -0.32 -0.06 0.00 -0.12 0.00 0.00 29.99 29.95 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 0.14 3.57 2.02 -1.93 -2.94 112.91 113.77 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 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 1x6g h THR 60 CO 0.00 0.00 -0.25 0.28 0.37 0.00 0.00 175.52 175.92 1x6g h SER 61 N -0.33 -0.73 0.00 4.18 0.02 -1.97 -3.47 113.55 111.26 1x6g h SER 61 Ca 0.03 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 1x6g h SER 61 Cb 0.41 0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1x6g h SER 61 CO -0.29 -0.29 0.00 0.61 -1.14 0.00 0.00 176.83 175.71 1x6g n GLY 62 N -1.25 1.13 3.90 -3.77 0.00 0.49 -5.03 105.19 100.67 1x6g n GLY 62 Ca -0.05 -0.15 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.60 2.38 -0.21 1.61 -0.21 -1.23 -4.85 119.66 116.54 1x6g s GLN 63 Ca 0.00 -1.76 -0.00 0.00 0.02 0.00 0.00 55.36 53.62 1x6g s GLN 63 Cb 0.00 -2.27 0.05 0.00 1.00 0.00 0.00 33.01 31.79 1x6g s GLN 63 CO 0.00 -0.44 -0.05 -1.21 -2.12 0.00 0.00 175.29 171.47 1x6g s GLU 64 N -4.24 1.49 0.23 2.91 2.02 -1.26 -1.40 118.70 118.44 1x6g s GLU 64 Ca 0.44 -0.80 -0.02 0.00 0.02 0.00 0.00 54.97 54.60 1x6g s GLU 64 Cb -0.03 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 1x6g s GLU 64 CO 0.26 -0.56 0.21 0.20 0.02 0.00 0.00 175.26 175.40 1x6g s GLY 65 N 1.51 1.39 0.56 -1.39 0.00 -1.17 -4.91 107.32 103.31 1x6g s GLY 65 Ca -0.03 -1.60 -0.16 0.00 0.00 0.00 0.00 44.72 42.93 1x6g s GLY 65 CO -0.07 -1.27 1.02 1.08 0.00 0.00 0.00 173.10 173.86 1x6g s LEU 66 N -3.16 3.53 -0.02 0.66 1.43 -1.26 -2.59 118.68 117.27 1x6g s LEU 66 Ca 0.36 1.65 0.01 0.00 -1.03 0.00 0.00 54.13 55.12 1x6g s LEU 66 Cb 0.05 -4.51 0.02 0.00 0.03 0.00 0.00 46.19 41.77 1x6g s LEU 66 CO 0.13 -0.85 -0.01 -0.22 0.23 0.00 0.00 176.35 175.64 1x6g s LEU 67 N -4.35 1.42 -0.14 1.79 0.20 0.19 -3.85 118.68 113.94 1x6g s LEU 67 Ca 0.60 -0.03 -0.34 0.00 0.69 0.00 0.00 54.13 55.06 1x6g s LEU 67 Cb -0.12 -0.18 -0.11 0.00 -0.43 0.00 0.00 46.19 45.34 1x6g s LEU 67 CO 0.36 -0.06 1.96 0.00 -0.29 0.00 0.00 176.35 178.32 1x6g n ALA 68 N 3.79 0.99 0.27 5.97 0.00 -1.26 -0.00 120.51 130.26 1x6g n ALA 68 Ca -0.23 0.18 0.15 0.00 0.00 0.00 0.00 53.44 53.54 1x6g n ALA 68 Cb 0.53 -2.55 0.87 0.00 0.00 0.00 0.00 19.45 18.30 1x6g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6g h ALA 69 N 10.27 1.64 -0.73 0.00 0.00 -0.28 -0.54 119.26 129.63 1x6g h ALA 69 Ca -0.45 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.00 1x6g h ALA 69 Cb 1.28 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 18.86 1x6g h ALA 69 CO 0.96 -0.08 0.60 0.41 0.00 0.00 0.00 179.25 181.14 1x6g n GLY 70 N -1.36 4.67 1.01 0.00 0.00 -1.26 -3.79 105.19 104.46 1x6g n GLY 70 Ca -0.02 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.36 3.33 -2.47 4.61 0.00 -0.21 -5.05 120.51 120.36 1x6g n ALA 71 Ca 0.45 -0.88 -0.23 0.00 0.00 0.00 0.00 53.44 52.78 1x6g n ALA 71 Cb 0.80 -0.36 -0.12 0.00 0.00 0.00 0.00 19.45 19.77 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 2.40 0.22 0.00 1.43 -1.25 -3.08 118.68 118.40 1x6g s LEU 72 Ca 0.05 -0.82 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1x6g s LEU 72 Cb 0.06 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.35 1x6g s LEU 72 CO -0.03 0.02 0.31 0.00 0.23 0.00 0.00 176.35 176.88 1x6g s ARG 73 N -2.55 1.36 -0.47 1.70 1.04 0.78 -4.88 118.95 115.92 1x6g s ARG 73 Ca 0.14 -1.41 -0.21 0.00 -1.04 0.00 0.00 55.73 53.21 1x6g s ARG 73 Cb -0.07 0.37 0.04 0.00 -2.04 0.00 0.00 34.95 33.25 1x6g s ARG 73 CO 0.07 -0.51 0.70 -2.00 -0.04 0.00 0.00 175.30 173.51 1x6g s GLU 74 N -4.08 3.26 0.29 3.89 2.12 -1.26 -0.75 118.70 122.17 1x6g s GLU 74 Ca 0.29 -0.45 -0.26 0.00 0.36 0.00 0.00 54.97 54.91 1x6g s GLU 74 Cb 0.03 -4.00 -0.15 0.00 0.26 0.00 0.00 34.13 30.27 1x6g s GLU 74 CO 0.10 -1.15 0.59 -2.13 -0.54 0.00 0.00 175.26 172.13 1x6g n ARG 75 N 6.47 0.43 -2.18 4.30 0.63 -1.26 -4.80 116.66 120.25 1x6g n ARG 75 Ca -0.02 0.15 -0.43 0.00 -0.92 0.00 0.00 57.85 56.64 1x6g n ARG 75 Cb 0.47 -1.30 -0.02 0.00 0.45 0.00 0.00 32.46 32.06 1x6g n ARG 75 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1x6g s SER 76 N -0.89 6.72 0.00 6.15 1.04 -1.26 -4.98 113.70 120.48 1x6g s SER 76 Ca 0.62 1.93 0.00 0.00 0.48 0.00 0.00 55.95 58.98 1x6g s SER 76 Cb -0.77 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 62.81 1x6g s SER 76 CO 0.58 -0.92 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1x6g n GLY 77 N 4.03 4.87 3.56 7.32 0.00 -1.26 -5.02 105.19 118.68 1x6g n GLY 77 Ca 0.16 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.88 1x6g n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x6g s PRO 78 N 2.19 3.01 0.39 1.61 0.04 -1.26 -4.97 135.00 136.02 1x6g s PRO 78 Ca 0.00 -0.35 -0.12 0.00 0.04 0.00 0.00 61.00 60.58 1x6g s PRO 78 Cb 0.00 -4.83 -0.07 0.00 0.04 0.00 0.00 34.50 29.64 1x6g s PRO 78 CO 0.00 -2.64 0.78 0.45 0.04 0.00 0.00 177.00 175.63 1x6g s SER 79 N 6.23 6.58 -0.28 6.66 0.15 -1.26 -5.07 113.70 126.71 1x6g s SER 79 Ca 0.55 1.19 0.02 0.00 0.70 0.00 0.00 55.95 58.41 1x6g s SER 79 Cb -0.06 -2.35 0.16 0.00 -1.71 0.00 0.00 66.02 62.06 1x6g s SER 79 CO 0.04 -0.37 0.42 -0.55 1.20 0.00 0.00 173.24 173.98 1x6g s SER 80 N -2.96 0.18 0.00 5.45 0.15 -1.26 -5.31 113.70 109.94 1x6g s SER 80 Ca 0.52 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.95 1x6g s SER 80 Cb -0.10 1.20 0.00 0.00 -1.71 0.00 0.00 66.02 65.41 1x6g s SER 80 CO 0.28 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.99