#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 3.40 -2.66 1.61 7.64 -1.26 -3.40 113.62 118.94 1x6g n SER 2 Ca 0.00 1.01 -0.05 0.00 1.01 0.00 0.00 58.87 60.84 1x6g n SER 2 Cb 0.00 -1.41 0.01 0.00 -1.01 0.00 0.00 64.21 61.79 1x6g n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x6g n SER 3 N 5.43 -7.33 0.00 6.43 7.64 -1.26 -4.99 113.62 119.54 1x6g n SER 3 Ca 0.20 0.72 0.00 0.00 1.01 0.00 0.00 58.87 60.80 1x6g n SER 3 Cb 0.30 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.60 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 -0.04 -0.25 3.59 0.23 0.00 -1.22 -5.11 105.19 102.39 1x6g n GLY 4 Ca 0.07 0.58 -0.41 0.00 0.00 0.00 0.00 46.02 46.26 1x6g n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6g s SER 5 N 2.00 6.47 -0.40 1.61 0.01 -1.26 -5.02 113.70 117.10 1x6g s SER 5 Ca 0.00 0.33 -0.12 0.00 1.31 0.00 0.00 55.95 57.47 1x6g s SER 5 Cb 0.00 -2.33 0.04 0.00 0.21 0.00 0.00 66.02 63.94 1x6g s SER 5 CO 0.00 -0.53 0.26 -0.94 0.41 0.00 0.00 173.24 172.44 1x6g s SER 6 N 1.70 5.86 0.00 2.44 1.04 -1.26 -4.78 113.70 118.70 1x6g s SER 6 Ca 0.25 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.58 1x6g s SER 6 Cb -0.15 -2.07 0.00 0.00 0.10 0.00 0.00 66.02 63.90 1x6g s SER 6 CO 0.13 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.50 1x6g n GLY 7 N 5.05 -3.14 3.70 7.32 0.00 -1.26 -4.92 105.19 111.94 1x6g n GLY 7 Ca -0.11 -1.98 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 1x6g n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x6g s ARG 8 N -0.62 4.37 0.69 1.61 0.52 -1.26 -4.98 118.95 119.29 1x6g s ARG 8 Ca 0.00 1.74 -0.17 0.00 -0.52 0.00 0.00 55.73 56.79 1x6g s ARG 8 Cb 0.00 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 31.93 1x6g s ARG 8 CO 0.00 -0.39 0.43 0.00 0.02 0.00 0.00 175.30 175.36 1x6g n MET 9 N 4.75 0.30 -1.53 3.54 0.00 -1.26 -4.96 117.12 117.96 1x6g n MET 9 Ca 0.10 0.14 -0.29 0.00 0.00 0.00 0.00 57.70 57.65 1x6g n MET 9 Cb 0.46 -1.71 0.14 0.00 0.00 0.00 0.00 33.22 32.11 1x6g n MET 9 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x6g s PRO 10 N -2.48 0.97 -1.00 3.17 0.04 -1.26 -4.99 135.00 129.45 1x6g s PRO 10 Ca 0.64 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.79 1x6g s PRO 10 Cb -0.37 -1.83 0.24 0.00 0.04 0.00 0.00 34.50 32.59 1x6g s PRO 10 CO 0.59 -2.30 1.00 0.99 0.04 0.00 0.00 177.00 177.32 1x6g s THR 11 N -3.30 5.74 -0.10 1.26 2.01 -1.26 -4.97 115.64 115.02 1x6g s THR 11 Ca 0.65 -2.92 -0.24 0.00 0.31 0.00 0.00 61.69 59.49 1x6g s THR 11 Cb -0.14 -4.58 0.05 0.00 0.01 0.00 0.00 72.50 67.85 1x6g s THR 11 CO 0.53 -1.17 0.56 -0.13 -0.69 0.00 0.00 174.62 173.73 1x6g s ARG 12 N -0.35 0.84 0.00 4.92 3.00 -1.26 -5.02 118.95 121.08 1x6g s ARG 12 Ca 0.27 0.35 0.30 0.00 0.00 0.00 0.00 55.73 56.64 1x6g s ARG 12 Cb -0.09 0.40 1.47 0.00 0.00 0.00 0.00 34.95 36.72 1x6g s ARG 12 CO -0.08 -0.21 2.02 0.54 0.00 0.00 0.00 175.30 177.57 1x6g n ARG 13 N 1.62 0.43 -3.52 3.54 3.00 -1.26 -4.85 116.66 115.62 1x6g n ARG 13 Ca -0.18 -0.02 -0.09 0.00 -0.01 0.00 0.00 57.85 57.54 1x6g n ARG 13 Cb 0.56 -1.50 -0.02 0.00 0.00 0.00 0.00 32.46 31.50 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 1x6g s TRP 14 N -2.59 -0.40 0.45 -1.55 0.51 -1.26 -5.13 118.94 108.97 1x6g s TRP 14 Ca 0.28 0.19 0.06 0.00 -2.12 0.00 0.00 56.10 54.51 1x6g s TRP 14 Cb 0.20 0.57 -0.03 0.00 -0.81 0.00 0.00 33.47 33.40 1x6g s TRP 14 CO 0.47 -0.74 0.17 0.00 -0.51 0.00 0.00 176.95 176.34 1x6g s ALA 15 N -3.45 3.78 -0.46 0.98 0.00 -1.26 -4.94 121.76 116.42 1x6g s ALA 15 Ca 0.04 -1.68 -0.28 0.00 0.00 0.00 0.00 51.96 50.04 1x6g s ALA 15 Cb -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.80 1x6g s ALA 15 CO -0.09 -0.19 1.44 -1.25 0.00 0.00 0.00 175.76 175.68 1x6g s PRO 16 N -3.95 3.46 0.00 0.00 0.04 -1.26 -2.57 135.00 130.73 1x6g s PRO 16 Ca 0.33 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1x6g s PRO 16 Cb 0.03 -4.07 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1x6g s PRO 16 CO 0.18 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.92 1x6g n GLY 17 N 5.16 1.11 3.77 0.56 0.00 0.79 -4.93 105.19 111.66 1x6g n GLY 17 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.05 4.10 -0.15 2.61 2.01 -1.06 -4.68 115.64 117.42 1x6g s THR 18 Ca 0.00 1.82 -0.18 0.00 0.31 0.00 0.00 61.69 63.64 1x6g s THR 18 Cb 0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1x6g s THR 18 CO 0.00 0.21 0.47 -1.10 -0.69 0.00 0.00 174.62 173.51 1x6g s GLN 19 N -1.89 4.28 0.19 4.92 -0.21 -1.26 -1.84 119.66 123.85 1x6g s GLN 19 Ca 0.49 0.40 0.11 0.00 0.02 0.00 0.00 55.36 56.37 1x6g s GLN 19 Cb -0.21 -3.48 -0.04 0.00 1.00 0.00 0.00 33.01 30.27 1x6g s GLN 19 CO 0.27 0.05 -0.22 0.00 -2.12 0.00 0.00 175.29 173.27 1x6g s ILE 21 N -1.84 2.26 -0.17 0.00 -1.09 0.25 -2.66 121.20 117.96 1x6g s ILE 21 Ca 0.20 -1.44 -0.24 0.00 -2.23 0.00 0.00 60.65 56.94 1x6g s ILE 21 Cb -0.07 -1.92 -0.02 0.00 -1.58 0.00 0.00 42.46 38.87 1x6g s ILE 21 CO 0.09 0.30 0.78 0.42 -1.23 0.00 0.00 174.94 175.31 1x6g s THR 22 N -0.88 4.92 -0.09 2.92 -4.23 -1.18 -0.49 115.64 116.61 1x6g s THR 22 Ca 0.13 1.52 0.26 0.00 -1.18 0.00 0.00 61.69 62.41 1x6g s THR 22 Cb -0.10 -4.09 0.30 0.00 1.34 0.00 0.00 72.50 69.95 1x6g s THR 22 CO 0.03 0.06 1.76 0.11 -0.54 0.00 0.00 174.62 176.05 1x6g h LYS 23 N 7.33 0.00 -4.92 3.99 1.57 -1.84 -1.53 116.57 121.17 1x6g h LYS 23 Ca -0.31 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.03 1x6g h LYS 23 Cb 1.14 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.31 1x6g h LYS 23 CO 0.82 0.12 -0.54 0.00 -0.57 0.00 0.00 179.45 179.27 1x6g s GLU 25 N -3.75 2.60 -0.25 0.00 1.03 -1.26 -3.81 118.70 113.26 1x6g s GLU 25 Ca 0.34 -0.69 -0.01 0.00 0.03 0.00 0.00 54.97 54.64 1x6g s GLU 25 Cb 0.04 -2.54 0.07 0.00 -0.80 0.00 0.00 34.13 30.91 1x6g s GLU 25 CO 0.18 0.61 0.03 -1.58 -1.33 0.00 0.00 175.26 173.17 1x6g s HIS 26 N -1.00 1.74 -0.18 4.83 2.46 0.50 -4.90 115.29 118.73 1x6g s HIS 26 Ca 0.17 -1.47 -0.15 0.00 0.47 0.00 0.00 55.06 54.08 1x6g s HIS 26 Cb -0.11 -1.47 -0.21 0.00 -0.13 0.00 0.00 32.58 30.66 1x6g s HIS 26 CO 0.08 -0.75 0.23 0.25 -2.47 0.00 0.00 174.74 172.08 1x6g n THR 27 N 4.85 1.63 -3.83 0.89 -2.24 -1.25 0.07 114.28 114.40 1x6g n THR 27 Ca -0.07 -0.28 -0.34 0.00 -2.27 0.00 0.00 64.05 61.09 1x6g n THR 27 Cb 0.44 -1.91 -0.12 0.00 -2.10 0.00 0.00 70.33 66.65 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 -2.44 2.24 0.98 -0.78 0.52 -1.26 -4.83 118.95 113.39 1x6g s ARG 28 Ca -0.27 -2.49 -0.15 0.00 -0.52 0.00 0.00 55.73 52.30 1x6g s ARG 28 Cb 0.07 -3.53 0.18 0.00 0.52 0.00 0.00 34.95 32.19 1x6g s ARG 28 CO 0.65 -1.13 1.17 -1.25 0.02 0.00 0.00 175.30 174.76 1x6g s PRO 29 N -0.03 0.53 1.29 3.54 0.04 -1.26 -5.04 135.00 134.06 1x6g s PRO 29 Ca 0.16 0.06 -0.17 0.00 0.04 0.00 0.00 61.00 61.09 1x6g s PRO 29 Cb -0.22 -1.79 0.32 0.00 0.04 0.00 0.00 34.50 32.85 1x6g s PRO 29 CO -0.02 -2.57 0.98 0.15 0.04 0.00 0.00 177.00 175.58 1x6g s LYS 30 N -5.44 -1.89 -0.87 4.56 1.02 -1.26 -4.83 119.74 111.03 1x6g s LYS 30 Ca 0.67 0.48 -0.25 0.00 0.02 0.00 0.00 55.97 56.90 1x6g s LYS 30 Cb -0.11 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.73 1x6g s LYS 30 CO 0.54 -4.27 1.65 -1.25 -0.92 0.00 0.00 175.35 171.10 1x6g s PRO 31 N -4.75 3.03 0.00 -1.68 0.04 -1.26 -2.21 135.00 128.17 1x6g s PRO 31 Ca 0.69 -0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1x6g s PRO 31 Cb -0.19 -4.92 0.00 0.00 0.04 0.00 0.00 34.50 29.42 1x6g s PRO 31 CO 0.62 -2.67 0.00 0.41 0.04 0.00 0.00 177.00 175.39 1x6g n GLY 32 N 6.45 1.75 3.79 0.56 0.00 -1.26 -5.13 105.19 111.35 1x6g n GLY 32 Ca 0.29 0.00 -0.29 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 -0.01 2.20 0.23 1.61 2.02 -0.94 -4.75 118.70 119.06 1x6g s GLU 33 Ca 0.00 -2.19 0.05 0.00 0.02 0.00 0.00 54.97 52.86 1x6g s GLU 33 Cb 0.00 -1.77 -0.03 0.00 0.10 0.00 0.00 34.13 32.43 1x6g s GLU 33 CO 0.00 -0.37 0.30 -1.17 0.02 0.00 0.00 175.26 174.04 1x6g s LEU 34 N -3.98 4.17 0.10 1.80 2.96 -1.26 -4.81 118.68 117.66 1x6g s LEU 34 Ca 0.21 -0.01 0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1x6g s LEU 34 Cb 0.02 -2.71 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 1x6g s LEU 34 CO 0.12 -0.04 -0.10 0.00 -1.32 0.00 0.00 176.35 175.01 1x6g s ALA 35 N -1.98 2.94 0.26 5.97 0.00 -1.26 -4.55 121.76 123.15 1x6g s ALA 35 Ca 0.34 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.85 1x6g s ALA 35 Cb -0.09 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.16 1x6g s ALA 35 CO 0.28 0.64 0.67 -0.59 0.00 0.00 0.00 175.76 176.75 1x6g s PHE 36 N -1.21 -0.14 0.46 0.00 -0.12 0.11 -4.91 117.98 112.17 1x6g s PHE 36 Ca 0.21 -0.28 0.03 0.00 -0.05 0.00 0.00 56.93 56.84 1x6g s PHE 36 Cb -0.11 0.61 0.03 0.00 -0.63 0.00 0.00 43.02 42.92 1x6g s PHE 36 CO 0.13 -1.16 0.22 0.54 -0.05 0.00 0.00 175.22 174.91 1x6g n ARG 37 N -0.44 0.85 -2.41 1.99 5.12 -1.26 0.19 116.66 120.70 1x6g n ARG 37 Ca -0.05 -3.01 -0.35 0.00 -1.93 0.00 0.00 57.85 52.51 1x6g n ARG 37 Cb 0.60 0.50 -0.02 0.00 -1.16 0.00 0.00 32.46 32.38 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 -3.79 3.69 -1.35 5.56 2.20 -1.25 -3.55 119.74 121.24 1x6g s LYS 38 Ca 0.17 1.52 -0.03 0.00 -0.36 0.00 0.00 55.97 57.27 1x6g s LYS 38 Cb -0.01 -2.16 -0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1x6g s LYS 38 CO 0.11 -0.55 0.51 0.41 -0.36 0.00 0.00 175.35 175.46 1x6g n GLY 39 N 0.06 -0.33 3.68 5.54 0.00 -0.58 -4.93 105.19 108.62 1x6g n GLY 39 Ca 0.09 0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 -4.26 5.46 0.05 1.61 1.11 -1.23 -4.87 116.67 114.54 1x6g s ASP 40 Ca 0.06 0.14 -0.19 0.00 0.18 0.00 0.00 52.55 52.75 1x6g s ASP 40 Cb -0.02 -1.73 -0.06 0.00 1.07 0.00 0.00 42.92 42.17 1x6g s ASP 40 CO 0.87 0.30 0.55 -0.69 1.18 0.00 0.00 175.17 177.39 1x6g s VAL 41 N -0.42 4.80 0.13 -1.27 1.01 -1.26 -3.08 120.40 120.31 1x6g s VAL 41 Ca 0.09 1.17 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 1x6g s VAL 41 Cb -0.12 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.38 1x6g s VAL 41 CO 0.02 0.54 0.29 0.68 0.00 0.00 0.00 175.10 176.63 1x6g s VAL 42 N -0.96 0.09 -0.09 2.92 -7.23 -1.09 -3.59 120.40 110.45 1x6g s VAL 42 Ca 0.29 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 59.37 1x6g s VAL 42 Cb -0.19 -1.52 -0.01 0.00 0.56 0.00 0.00 36.38 35.22 1x6g s VAL 42 CO 0.18 -0.41 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.47 1x6g s THR 43 N -3.89 2.51 -0.19 5.32 2.01 -1.18 -2.39 115.64 117.83 1x6g s THR 43 Ca 0.10 -0.88 -0.29 0.00 0.31 0.00 0.00 61.69 60.93 1x6g s THR 43 Cb 0.03 -1.99 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1x6g s THR 43 CO -0.06 0.55 1.69 -0.63 -0.69 0.00 0.00 174.62 175.48 1x6g s ILE 44 N 0.08 3.59 -0.11 1.82 -1.09 -0.77 -1.40 121.20 123.33 1x6g s ILE 44 Ca -0.09 0.67 -0.05 0.00 -2.23 0.00 0.00 60.65 58.95 1x6g s ILE 44 Cb -0.15 -3.59 -0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1x6g s ILE 44 CO 0.06 -0.24 -0.10 -0.07 -1.23 0.00 0.00 174.94 173.36 1x6g h LEU 45 N 11.78 0.00 -7.25 2.97 3.38 0.80 0.22 115.31 127.21 1x6g h LEU 45 Ca -0.36 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.43 1x6g h LEU 45 Cb 1.17 0.00 -0.30 0.00 0.09 0.00 0.00 40.66 41.62 1x6g h LEU 45 CO 0.99 0.58 -0.46 -0.70 0.09 0.00 0.00 178.44 178.94 1x6g s GLU 46 N -1.87 0.23 0.62 1.13 2.56 -0.82 -4.70 118.70 115.85 1x6g s GLU 46 Ca -0.08 0.70 -0.06 0.00 0.00 0.00 0.00 54.97 55.53 1x6g s GLU 46 Cb 0.01 -0.03 0.03 0.00 2.00 0.00 0.00 34.13 36.14 1x6g s GLU 46 CO 0.12 -0.21 0.93 0.00 -0.56 0.00 0.00 175.26 175.54 1x6g s ALA 47 N 1.83 3.29 0.13 6.30 0.00 -1.26 -2.22 121.76 129.83 1x6g s ALA 47 Ca -0.05 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1x6g s ALA 47 Cb -0.11 -2.57 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1x6g s ALA 47 CO -0.10 -0.95 0.00 0.00 0.00 0.00 0.00 175.76 174.71 1x6g n GLU 49 N -2.39 -0.08 0.00 0.00 4.07 -1.26 -4.78 120.64 116.20 1x6g n GLU 49 Ca 0.00 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 1x6g n GLU 49 Cb 0.25 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 29.79 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 -1.43 0.00 0.00 4.31 4.13 -1.26 -5.01 115.26 116.00 1x6g n ASN 50 Ca -0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1x6g n ASN 50 Cb 0.50 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1x6g n LYS 51 N 0.00 0.00 -2.53 3.52 5.02 -1.26 -4.96 118.16 117.95 1x6g n LYS 51 Ca 0.00 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.08 1x6g n LYS 51 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.02 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 0.00 3.71 -4.27 4.39 7.64 -1.26 -4.93 113.62 118.90 1x6g n SER 52 Ca 0.00 -3.40 -0.15 0.00 1.01 0.00 0.00 58.87 56.33 1x6g n SER 52 Cb 0.00 -0.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.62 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 -3.42 1.33 -0.07 1.43 0.52 -1.26 -0.67 118.94 116.81 1x6g s TRP 53 Ca 0.42 -0.89 -0.00 0.00 0.02 0.00 0.00 56.10 55.65 1x6g s TRP 53 Cb 0.42 -0.74 0.03 0.00 -1.15 0.00 0.00 33.47 32.03 1x6g s TRP 53 CO -0.12 -0.04 -0.02 0.71 0.02 0.00 0.00 176.95 177.50 1x6g s TYR 54 N -3.45 0.79 -0.52 -1.98 2.02 0.30 -4.13 117.35 110.37 1x6g s TYR 54 Ca 0.22 -0.25 -0.28 0.00 -0.37 0.00 0.00 57.07 56.39 1x6g s TYR 54 Cb 0.05 -0.81 0.02 0.00 -0.40 0.00 0.00 41.96 40.81 1x6g s TYR 54 CO 0.04 -0.31 1.35 0.50 -1.57 0.00 0.00 175.55 175.56 1x6g s ARG 55 N 1.62 3.45 0.37 -0.62 3.52 -0.94 -1.59 118.95 124.75 1x6g s ARG 55 Ca 0.00 0.55 0.05 0.00 -0.13 0.00 0.00 55.73 56.20 1x6g s ARG 55 Cb -0.13 -4.06 -0.07 0.00 -1.56 0.00 0.00 34.95 29.14 1x6g s ARG 55 CO -0.04 -1.75 0.04 0.14 -0.81 0.00 0.00 175.30 172.88 1x6g s VAL 56 N 5.56 1.50 -0.15 7.11 -7.23 -1.20 0.13 120.40 126.13 1x6g s VAL 56 Ca 0.53 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.68 1x6g s VAL 56 Cb -0.10 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.98 1x6g s VAL 56 CO 0.28 0.00 -0.09 -0.75 -0.31 0.00 0.00 175.10 174.23 1x6g s LYS 57 N -3.81 3.49 -0.18 4.82 2.20 -0.49 -3.05 119.74 122.72 1x6g s LYS 57 Ca 0.34 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.04 1x6g s LYS 57 Cb 0.09 -2.78 -0.00 0.00 -1.51 0.00 0.00 37.83 33.63 1x6g s LYS 57 CO 0.16 0.18 1.06 -1.58 -0.36 0.00 0.00 175.35 174.81 1x6g s HIS 58 N 0.47 3.33 0.06 4.03 5.65 -0.42 -3.09 115.29 125.33 1x6g s HIS 58 Ca -0.07 1.45 -0.25 0.00 0.25 0.00 0.00 55.06 56.44 1x6g s HIS 58 Cb -0.15 -3.28 -0.17 0.00 -1.18 0.00 0.00 32.58 27.80 1x6g s HIS 58 CO 0.04 -0.57 1.57 1.25 -0.65 0.00 0.00 174.74 176.38 1x6g h HIS 59 N 7.43 -0.19 0.49 3.88 2.76 -1.90 1.39 115.15 129.01 1x6g h HIS 59 Ca -0.24 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 57.91 1x6g h HIS 59 Cb 1.09 0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.12 1x6g h HIS 59 CO 0.74 -0.01 -0.24 1.15 -1.30 0.00 0.00 177.93 178.27 1x6g h THR 60 N -0.34 0.00 0.68 6.26 2.02 -1.92 -3.33 112.91 116.28 1x6g h THR 60 Ca -0.02 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 1x6g h THR 60 Cb 0.27 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 1x6g h THR 60 CO 0.04 0.00 -0.46 0.28 0.37 0.00 0.00 175.52 175.75 1x6g h SER 61 N -0.78 -1.17 0.00 4.18 0.02 -1.91 -3.47 113.55 110.42 1x6g h SER 61 Ca -0.07 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x6g h SER 61 Cb 0.51 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1x6g h SER 61 CO 0.11 -0.68 0.00 0.61 -1.14 0.00 0.00 176.83 175.73 1x6g n GLY 62 N -1.56 0.93 3.64 -3.77 0.00 0.48 -5.02 105.19 99.89 1x6g n GLY 62 Ca -0.13 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1x6g n GLY 62 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x6g n GLN 63 N -2.11 0.72 -3.85 1.61 6.02 -1.24 -4.83 117.38 113.69 1x6g n GLN 63 Ca 0.00 -3.33 -0.26 0.00 -0.01 0.00 0.00 57.00 53.40 1x6g n GLN 63 Cb 0.00 0.40 -0.17 0.00 1.02 0.00 0.00 30.24 31.49 1x6g n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1x6g s GLU 64 N -4.13 1.19 0.14 -1.09 2.02 -1.26 -1.30 118.70 114.27 1x6g s GLU 64 Ca 0.27 -0.26 -0.11 0.00 0.02 0.00 0.00 54.97 54.89 1x6g s GLU 64 Cb -0.02 -1.61 0.01 0.00 0.10 0.00 0.00 34.13 32.61 1x6g s GLU 64 CO 0.17 -0.36 0.31 0.20 0.02 0.00 0.00 175.26 175.60 1x6g s GLY 65 N 1.77 0.14 0.58 -1.39 0.00 -1.17 -4.85 107.32 102.39 1x6g s GLY 65 Ca 0.03 -0.55 -0.19 0.00 0.00 0.00 0.00 44.72 44.01 1x6g s GLY 65 CO -0.07 -0.65 1.22 1.08 0.00 0.00 0.00 173.10 174.68 1x6g s LEU 66 N -2.89 3.71 -0.03 0.66 2.01 -1.26 -3.21 118.68 117.67 1x6g s LEU 66 Ca 0.09 2.43 0.01 0.00 0.01 0.00 0.00 54.13 56.67 1x6g s LEU 66 Cb 0.03 -4.54 0.02 0.00 0.01 0.00 0.00 46.19 41.71 1x6g s LEU 66 CO -0.06 -1.55 -0.02 -0.22 1.01 0.00 0.00 176.35 175.50 1x6g s LEU 67 N -3.95 1.38 -0.29 1.79 0.20 -0.62 -4.04 118.68 113.14 1x6g s LEU 67 Ca 0.76 -0.07 -0.42 0.00 0.69 0.00 0.00 54.13 55.10 1x6g s LEU 67 Cb -0.31 -0.29 -0.17 0.00 -0.43 0.00 0.00 46.19 44.99 1x6g s LEU 67 CO 0.35 -0.06 1.66 0.00 -0.29 0.00 0.00 176.35 178.00 1x6g n ALA 68 N 3.88 -0.66 0.41 5.97 0.00 -1.26 -0.54 120.51 128.31 1x6g n ALA 68 Ca -0.24 0.43 0.08 0.00 0.00 0.00 0.00 53.44 53.72 1x6g n ALA 68 Cb 0.52 -2.12 0.37 0.00 0.00 0.00 0.00 19.45 18.21 1x6g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6g n ALA 69 N 4.69 1.58 0.81 0.00 0.00 0.15 -1.16 120.51 126.59 1x6g n ALA 69 Ca 0.27 0.02 0.09 0.00 0.00 0.00 0.00 53.44 53.82 1x6g n ALA 69 Cb 0.09 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.29 1x6g n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x6g n GLY 70 N -0.18 0.22 0.85 0.00 0.00 -1.26 -4.16 105.19 100.65 1x6g n GLY 70 Ca 0.02 -0.54 0.08 0.00 0.00 0.00 0.00 46.02 45.58 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 0.41 2.80 -2.55 4.61 0.00 -0.30 -4.98 120.51 120.50 1x6g n ALA 71 Ca 0.09 -1.99 -0.27 0.00 0.00 0.00 0.00 53.44 51.27 1x6g n ALA 71 Cb 0.43 -0.65 -0.10 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.34 2.92 0.21 0.00 1.43 -1.17 -2.58 118.68 117.15 1x6g s LEU 72 Ca 0.37 -0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1x6g s LEU 72 Cb 0.28 -1.62 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 1x6g s LEU 72 CO 0.11 0.11 0.31 0.00 0.23 0.00 0.00 176.35 177.12 1x6g s ARG 73 N -2.72 1.35 -0.48 1.70 1.04 0.35 -4.88 118.95 115.30 1x6g s ARG 73 Ca 0.24 -1.38 -0.22 0.00 -1.04 0.00 0.00 55.73 53.34 1x6g s ARG 73 Cb -0.09 0.38 0.04 0.00 -2.04 0.00 0.00 34.95 33.24 1x6g s ARG 73 CO 0.14 -0.51 0.74 -2.00 -0.04 0.00 0.00 175.30 173.63 1x6g s GLU 74 N -4.06 3.28 0.40 3.89 2.12 -1.26 -0.58 118.70 122.48 1x6g s GLU 74 Ca 0.27 -0.42 -0.22 0.00 0.36 0.00 0.00 54.97 54.96 1x6g s GLU 74 Cb 0.03 -4.01 -0.14 0.00 0.26 0.00 0.00 34.13 30.27 1x6g s GLU 74 CO 0.08 -1.20 0.32 -2.13 -0.54 0.00 0.00 175.26 171.80 1x6g n ARG 75 N 6.62 0.25 0.04 4.30 0.63 -1.25 -4.89 116.66 122.36 1x6g n ARG 75 Ca -0.01 0.09 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 1x6g n ARG 75 Cb 0.47 -1.22 0.00 0.00 0.45 0.00 0.00 32.46 32.16 1x6g n ARG 75 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1x6g n SER 76 N 1.84 -0.05 0.00 6.15 2.88 -1.26 -5.06 113.62 118.12 1x6g n SER 76 Ca 0.12 0.15 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 1x6g n SER 76 Cb 0.39 0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 1x6g n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 77 N 1.50 2.06 3.80 0.46 0.00 -1.26 -5.03 105.19 106.72 1x6g n GLY 77 Ca 0.00 -1.95 -0.34 0.00 0.00 0.00 0.00 46.02 43.73 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 -2.62 3.68 -0.01 1.61 0.04 -1.26 -5.06 135.00 131.39 1x6g s PRO 78 Ca 0.00 1.30 0.07 0.00 0.04 0.00 0.00 61.00 62.41 1x6g s PRO 78 Cb 0.00 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 1x6g s PRO 78 CO 0.00 -0.52 -0.23 -1.12 0.04 0.00 0.00 177.00 175.17 1x6g s SER 79 N -2.25 2.70 0.13 6.66 0.01 -1.26 -5.04 113.70 114.65 1x6g s SER 79 Ca 0.66 -0.44 -0.29 0.00 1.31 0.00 0.00 55.95 57.19 1x6g s SER 79 Cb -0.16 -0.29 -0.05 0.00 0.21 0.00 0.00 66.02 65.73 1x6g s SER 79 CO 0.25 0.27 1.58 -1.28 0.41 0.00 0.00 173.24 174.47 1x6g h SER 80 N 5.45 -1.31 -0.02 2.44 0.87 -2.06 -3.57 113.55 115.34 1x6g h SER 80 Ca -0.41 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1x6g h SER 80 Cb 1.13 0.54 0.00 0.00 -0.44 0.00 0.00 62.40 63.63 1x6g h SER 80 CO 0.47 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 176.95