#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 5.68 -0.77 1.61 1.04 -1.26 -5.05 113.70 114.95 1x6g s SER 2 Ca 0.00 0.23 -0.20 0.00 0.48 0.00 0.00 55.95 56.47 1x6g s SER 2 Cb 0.00 -1.77 0.11 0.00 0.10 0.00 0.00 66.02 64.46 1x6g s SER 2 CO 0.00 0.34 0.96 -0.94 0.98 0.00 0.00 173.24 174.59 1x6g s SER 3 N -0.65 6.41 -0.39 7.02 1.04 -1.26 -4.91 113.70 120.97 1x6g s SER 3 Ca 0.11 -1.66 0.03 0.00 0.48 0.00 0.00 55.95 54.91 1x6g s SER 3 Cb -0.12 -2.37 0.16 0.00 0.10 0.00 0.00 66.02 63.79 1x6g s SER 3 CO 0.02 -1.15 0.33 -0.83 0.98 0.00 0.00 173.24 172.60 1x6g s GLY 4 N 3.54 0.56 -0.14 7.32 0.00 -1.26 -5.12 107.32 112.23 1x6g s GLY 4 Ca 0.24 -1.70 -0.18 0.00 0.00 0.00 0.00 44.72 43.09 1x6g s GLY 4 CO -0.00 2.39 0.46 -0.45 0.00 0.00 0.00 173.10 175.50 1x6g s SER 5 N 0.85 6.63 -0.94 1.64 0.15 -1.26 -5.01 113.70 115.76 1x6g s SER 5 Ca 0.23 0.75 -0.20 0.00 0.70 0.00 0.00 55.95 57.43 1x6g s SER 5 Cb -0.11 -2.27 0.10 0.00 -1.71 0.00 0.00 66.02 62.03 1x6g s SER 5 CO -0.07 -0.02 1.21 -0.44 1.20 0.00 0.00 173.24 175.13 1x6g s SER 6 N 0.70 6.57 -0.68 5.45 0.01 -1.26 -4.96 113.70 119.53 1x6g s SER 6 Ca 0.24 -1.82 -0.18 0.00 1.31 0.00 0.00 55.95 55.50 1x6g s SER 6 Cb -0.15 -2.45 0.12 0.00 0.21 0.00 0.00 66.02 63.75 1x6g s SER 6 CO 0.09 -1.21 0.80 -0.83 0.41 0.00 0.00 173.24 172.50 1x6g s GLY 7 N 4.01 1.90 0.13 3.44 0.00 -1.26 -4.68 107.32 110.87 1x6g s GLY 7 Ca 0.36 -2.45 0.00 0.00 0.00 0.00 0.00 44.72 42.63 1x6g s GLY 7 CO -0.09 1.63 0.00 -2.13 0.00 0.00 0.00 173.10 172.51 1x6g n ARG 8 N 6.11 0.00 -1.56 2.90 0.63 -1.26 -5.09 116.66 118.39 1x6g n ARG 8 Ca -0.01 0.00 -0.38 0.00 -0.92 0.00 0.00 57.85 56.55 1x6g n ARG 8 Cb 0.44 -0.18 0.05 0.00 0.45 0.00 0.00 32.46 33.22 1x6g n ARG 8 CO 0.00 0.00 0.00 -1.33 -2.51 0.00 0.00 177.63 173.79 1x6g n MET 9 N -3.17 0.73 -0.97 -0.14 2.81 -1.26 -4.78 117.12 110.34 1x6g n MET 9 Ca 0.00 0.29 -0.28 0.00 -1.81 0.00 0.00 57.70 55.90 1x6g n MET 9 Cb 0.07 -2.02 -0.03 0.00 -0.71 0.00 0.00 33.22 30.54 1x6g n MET 9 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1x6g n PRO 10 N -0.77 2.71 -2.64 0.03 -0.04 -1.26 -4.90 135.00 128.13 1x6g n PRO 10 Ca 0.13 -1.72 -0.42 0.00 -0.04 0.00 0.00 63.50 61.45 1x6g n PRO 10 Cb 0.48 -2.56 -0.03 0.00 -0.04 0.00 0.00 33.50 31.35 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 2.81 4.68 -0.14 0.52 2.01 -1.26 -5.02 115.64 119.24 1x6g s THR 11 Ca 0.52 1.94 -0.11 0.00 0.31 0.00 0.00 61.69 64.36 1x6g s THR 11 Cb 0.14 -4.24 0.04 0.00 0.01 0.00 0.00 72.50 68.45 1x6g s THR 11 CO -0.04 0.07 0.36 -0.60 -0.69 0.00 0.00 174.62 173.72 1x6g s ARG 12 N 1.60 0.38 0.15 4.92 3.52 -1.26 -5.14 118.95 123.13 1x6g s ARG 12 Ca 0.52 0.59 -0.08 0.00 -0.13 0.00 0.00 55.73 56.63 1x6g s ARG 12 Cb -0.21 0.09 0.03 0.00 -1.56 0.00 0.00 34.95 33.30 1x6g s ARG 12 CO 0.23 -0.10 0.42 0.54 -0.81 0.00 0.00 175.30 175.58 1x6g n ARG 13 N 3.48 0.46 -2.39 5.12 1.74 -1.26 -5.14 116.66 118.67 1x6g n ARG 13 Ca -0.18 -0.94 -0.41 0.00 -0.77 0.00 0.00 57.85 55.56 1x6g n ARG 13 Cb 0.56 1.19 -0.04 0.00 -1.02 0.00 0.00 32.46 33.16 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1x6g s TRP 14 N -5.19 3.45 0.54 -1.55 0.51 -1.26 -5.04 118.94 110.41 1x6g s TRP 14 Ca 0.09 1.59 0.09 0.00 -2.12 0.00 0.00 56.10 55.75 1x6g s TRP 14 Cb -0.02 -3.39 0.07 0.00 -0.81 0.00 0.00 33.47 29.32 1x6g s TRP 14 CO 0.05 -0.93 0.74 0.00 -0.51 0.00 0.00 176.95 176.29 1x6g s ALA 15 N -0.91 4.67 -0.32 0.98 0.00 -1.26 -4.92 121.76 120.00 1x6g s ALA 15 Ca 0.47 -2.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.10 1x6g s ALA 15 Cb -0.34 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.32 1x6g s ALA 15 CO 0.42 -0.74 1.36 -1.25 0.00 0.00 0.00 175.76 175.55 1x6g s PRO 16 N -4.60 3.82 0.00 0.00 0.04 -1.26 -2.76 135.00 130.24 1x6g s PRO 16 Ca 0.60 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.85 1x6g s PRO 16 Cb -0.06 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.55 1x6g s PRO 16 CO 0.37 -1.25 0.00 0.41 0.04 0.00 0.00 177.00 176.58 1x6g n GLY 17 N 4.54 1.45 3.79 0.56 0.00 0.11 -4.94 105.19 110.69 1x6g n GLY 17 Ca 0.16 0.00 -0.36 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 -1.27 4.02 -0.29 2.61 2.01 -1.11 -4.67 115.64 116.94 1x6g s THR 18 Ca 0.00 1.47 -0.14 0.00 0.31 0.00 0.00 61.69 63.34 1x6g s THR 18 Cb 0.00 -3.73 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 1x6g s THR 18 CO 0.00 -0.06 0.30 -1.10 -0.69 0.00 0.00 174.62 173.07 1x6g s GLN 19 N -2.62 3.87 0.15 4.92 -0.21 -1.26 -1.19 119.66 123.32 1x6g s GLN 19 Ca 0.58 -0.21 0.07 0.00 0.02 0.00 0.00 55.36 55.81 1x6g s GLN 19 Cb -0.17 -3.70 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 1x6g s GLN 19 CO 0.22 -0.30 -0.00 0.00 -2.12 0.00 0.00 175.29 173.08 1x6g s ILE 21 N -1.60 3.11 -0.05 0.00 -1.09 0.87 -2.57 121.20 119.86 1x6g s ILE 21 Ca 0.27 -1.20 -0.28 0.00 -2.23 0.00 0.00 60.65 57.21 1x6g s ILE 21 Cb -0.10 -2.38 -0.03 0.00 -1.58 0.00 0.00 42.46 38.37 1x6g s ILE 21 CO 0.18 0.24 0.92 0.42 -1.23 0.00 0.00 174.94 175.47 1x6g s THR 22 N -1.06 4.88 0.27 2.92 -4.23 -1.18 0.21 115.64 117.46 1x6g s THR 22 Ca 0.18 1.90 0.04 0.00 -1.18 0.00 0.00 61.69 62.62 1x6g s THR 22 Cb -0.11 -4.25 0.02 0.00 1.34 0.00 0.00 72.50 69.51 1x6g s THR 22 CO 0.09 0.13 1.66 0.11 -0.54 0.00 0.00 174.62 176.07 1x6g h LYS 23 N 6.92 0.35 0.00 3.99 1.57 -1.76 -2.25 116.57 125.39 1x6g h LYS 23 Ca -0.37 -0.17 -0.31 0.00 -1.87 0.00 0.00 60.65 57.93 1x6g h LYS 23 Cb 1.19 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.43 1x6g h LYS 23 CO 0.78 0.71 -0.27 0.00 -0.57 0.00 0.00 179.45 180.10 1x6g s GLU 25 N -2.87 2.77 -0.26 0.00 -1.05 -1.26 -3.57 118.70 112.47 1x6g s GLU 25 Ca 0.17 -0.67 -0.01 0.00 -0.15 0.00 0.00 54.97 54.31 1x6g s GLU 25 Cb 0.01 -2.66 0.08 0.00 -0.44 0.00 0.00 34.13 31.11 1x6g s GLU 25 CO 0.12 0.59 0.03 -1.58 0.95 0.00 0.00 175.26 175.37 1x6g s HIS 26 N -1.21 1.85 -0.18 4.83 2.46 0.29 -4.86 115.29 118.47 1x6g s HIS 26 Ca 0.23 -1.57 -0.14 0.00 0.47 0.00 0.00 55.06 54.05 1x6g s HIS 26 Cb -0.12 -1.56 -0.21 0.00 -0.13 0.00 0.00 32.58 30.56 1x6g s HIS 26 CO 0.15 -0.77 0.22 0.25 -2.47 0.00 0.00 174.74 172.11 1x6g n THR 27 N 4.81 1.64 -3.93 0.89 -2.24 -1.25 0.39 114.28 114.58 1x6g n THR 27 Ca -0.07 -0.33 -0.31 0.00 -2.27 0.00 0.00 64.05 61.08 1x6g n THR 27 Cb 0.44 -1.88 -0.14 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 -2.46 1.98 1.02 -0.78 1.81 -1.26 -4.81 118.95 114.45 1x6g s ARG 28 Ca -0.27 -2.52 -0.16 0.00 -1.72 0.00 0.00 55.73 51.06 1x6g s ARG 28 Cb 0.07 -3.35 0.20 0.00 -0.45 0.00 0.00 34.95 31.42 1x6g s ARG 28 CO 0.66 -1.10 1.19 -1.25 -0.68 0.00 0.00 175.30 174.12 1x6g s PRO 29 N -0.12 0.24 1.30 3.54 0.04 -1.26 -5.04 135.00 133.70 1x6g s PRO 29 Ca 0.16 -0.05 -0.18 0.00 0.04 0.00 0.00 61.00 60.97 1x6g s PRO 29 Cb -0.25 -1.77 0.32 0.00 0.04 0.00 0.00 34.50 32.85 1x6g s PRO 29 CO -0.01 -2.74 0.99 0.15 0.04 0.00 0.00 177.00 175.43 1x6g s LYS 30 N -5.52 -1.96 -0.88 4.56 1.02 -1.26 -4.83 119.74 110.87 1x6g s LYS 30 Ca 0.69 0.37 -0.25 0.00 0.02 0.00 0.00 55.97 56.80 1x6g s LYS 30 Cb -0.10 -1.47 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1x6g s LYS 30 CO 0.54 -4.29 1.65 -1.25 -0.92 0.00 0.00 175.35 171.08 1x6g s PRO 31 N -4.88 3.03 0.00 -1.68 0.04 -1.26 -2.27 135.00 127.98 1x6g s PRO 31 Ca 0.69 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.28 1x6g s PRO 31 Cb -0.17 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.43 1x6g s PRO 31 CO 0.60 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 175.37 1x6g n GLY 32 N 6.48 1.80 3.78 0.56 0.00 -1.26 -5.13 105.19 111.41 1x6g n GLY 32 Ca 0.29 0.00 -0.30 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 -0.08 2.19 0.18 1.61 2.02 -0.96 -4.73 118.70 118.93 1x6g s GLU 33 Ca 0.00 -2.24 0.04 0.00 0.02 0.00 0.00 54.97 52.80 1x6g s GLU 33 Cb 0.00 -1.72 -0.04 0.00 0.10 0.00 0.00 34.13 32.48 1x6g s GLU 33 CO 0.00 -0.37 0.24 -1.17 0.02 0.00 0.00 175.26 173.98 1x6g s LEU 34 N -3.96 4.10 0.14 1.80 2.96 -1.26 -4.83 118.68 117.64 1x6g s LEU 34 Ca 0.18 0.00 0.08 0.00 -0.22 0.00 0.00 54.13 54.18 1x6g s LEU 34 Cb 0.02 -2.68 -0.04 0.00 0.50 0.00 0.00 46.19 43.99 1x6g s LEU 34 CO 0.10 0.02 -0.11 0.00 -1.32 0.00 0.00 176.35 175.04 1x6g s ALA 35 N -1.84 2.89 0.22 5.97 0.00 -1.26 -4.56 121.76 123.18 1x6g s ALA 35 Ca 0.33 -1.38 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 1x6g s ALA 35 Cb -0.10 -0.76 0.07 0.00 0.00 0.00 0.00 23.12 22.32 1x6g s ALA 35 CO 0.27 0.54 0.96 -0.59 0.00 0.00 0.00 175.76 176.94 1x6g s PHE 36 N -1.44 0.02 0.47 0.00 -0.12 0.16 -5.01 117.98 112.06 1x6g s PHE 36 Ca 0.22 -0.46 0.06 0.00 -0.05 0.00 0.00 56.93 56.70 1x6g s PHE 36 Cb -0.10 0.72 -0.01 0.00 -0.63 0.00 0.00 43.02 43.00 1x6g s PHE 36 CO 0.14 -1.05 0.26 1.03 -0.05 0.00 0.00 175.22 175.55 1x6g s ARG 37 N -2.52 2.27 0.39 1.99 1.81 -1.26 0.10 118.95 121.73 1x6g s ARG 37 Ca 0.18 -1.94 -0.26 0.00 -1.72 0.00 0.00 55.73 51.99 1x6g s ARG 37 Cb -0.03 -2.01 -0.09 0.00 -0.45 0.00 0.00 34.95 32.37 1x6g s ARG 37 CO 0.06 -0.33 1.17 0.21 -0.68 0.00 0.00 175.30 175.72 1x6g s LYS 38 N -4.06 4.10 -1.07 3.54 2.20 -1.23 -3.45 119.74 119.77 1x6g s LYS 38 Ca 0.35 1.84 -0.01 0.00 -0.36 0.00 0.00 55.97 57.79 1x6g s LYS 38 Cb 0.01 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 1x6g s LYS 38 CO 0.20 -0.28 0.89 0.41 -0.36 0.00 0.00 175.35 176.22 1x6g n GLY 39 N 0.65 -0.27 3.74 5.54 0.00 -0.85 -4.95 105.19 109.06 1x6g n GLY 39 Ca 0.04 0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1x6g n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x6g s ASP 40 N -4.13 5.53 -0.12 1.61 2.15 -1.22 -4.87 116.67 115.62 1x6g s ASP 40 Ca 0.04 0.18 -0.15 0.00 0.43 0.00 0.00 52.55 53.05 1x6g s ASP 40 Cb -0.02 -1.60 -0.05 0.00 -0.30 0.00 0.00 42.92 40.96 1x6g s ASP 40 CO 0.64 0.34 0.36 -0.69 -0.17 0.00 0.00 175.17 175.66 1x6g s VAL 41 N -1.02 5.23 0.38 1.11 1.01 -1.26 -3.08 120.40 122.77 1x6g s VAL 41 Ca 0.17 0.71 0.06 0.00 0.00 0.00 0.00 61.98 62.92 1x6g s VAL 41 Cb -0.12 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1x6g s VAL 41 CO 0.07 0.41 0.22 0.68 0.00 0.00 0.00 175.10 176.47 1x6g s VAL 42 N 0.21 0.24 -0.07 2.92 -7.23 -1.06 -3.46 120.40 111.95 1x6g s VAL 42 Ca 0.20 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.37 1x6g s VAL 42 Cb -0.14 -2.39 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1x6g s VAL 42 CO 0.07 0.00 -0.02 -0.89 -0.31 0.00 0.00 175.10 173.96 1x6g s THR 43 N -3.29 0.50 -0.19 5.32 2.01 -0.98 -3.37 115.64 115.64 1x6g s THR 43 Ca 0.31 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.05 1x6g s THR 43 Cb 0.02 -0.61 -0.06 0.00 0.01 0.00 0.00 72.50 71.85 1x6g s THR 43 CO 0.22 0.27 2.19 -0.38 -0.69 0.00 0.00 174.62 176.23 1x6g n ILE 44 N 4.94 0.39 -0.06 1.82 2.08 -0.34 -1.35 119.36 126.85 1x6g n ILE 44 Ca -0.11 -0.41 -0.02 0.00 0.56 0.00 0.00 62.75 62.77 1x6g n ILE 44 Cb 0.50 -2.47 -0.01 0.00 -0.75 0.00 0.00 39.64 36.91 1x6g n ILE 44 CO 0.00 0.00 0.00 -0.07 0.56 0.00 0.00 176.55 177.04 1x6g h LEU 45 N 14.28 0.00 -7.38 1.39 3.38 -0.73 0.30 115.31 126.55 1x6g h LEU 45 Ca -0.41 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.39 1x6g h LEU 45 Cb 1.25 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 41.73 1x6g h LEU 45 CO 0.96 0.61 -0.40 -1.61 0.09 0.00 0.00 178.44 178.09 1x6g s GLU 46 N -1.88 0.30 -0.30 1.13 2.02 -1.04 -4.71 118.70 114.22 1x6g s GLU 46 Ca -0.07 0.49 -0.03 0.00 0.02 0.00 0.00 54.97 55.37 1x6g s GLU 46 Cb 0.01 0.05 0.04 0.00 0.10 0.00 0.00 34.13 34.33 1x6g s GLU 46 CO 0.11 -0.09 0.03 0.00 0.02 0.00 0.00 175.26 175.32 1x6g s ALA 47 N 0.66 2.88 0.00 5.21 0.00 -1.26 -2.73 121.76 126.52 1x6g s ALA 47 Ca -0.04 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1x6g s ALA 47 Cb -0.05 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.05 1x6g s ALA 47 CO -0.04 -1.20 0.00 0.00 0.00 0.00 0.00 175.76 174.52 1x6g n GLU 49 N -0.01 -4.55 -1.04 0.00 4.71 -1.26 -4.87 120.64 113.63 1x6g n GLU 49 Ca 0.00 3.38 0.00 0.00 -0.01 0.00 0.00 57.16 60.53 1x6g n GLU 49 Cb 0.00 -4.36 0.00 0.00 -1.01 0.00 0.00 31.44 26.07 1x6g n GLU 49 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1x6g n ASN 50 N 1.61 -5.06 -2.23 1.62 3.02 -1.26 -4.59 115.26 108.37 1x6g n ASN 50 Ca -0.08 0.58 -0.19 0.00 -0.03 0.00 0.00 54.58 54.86 1x6g n ASN 50 Cb 0.12 -2.33 -0.12 0.00 -0.61 0.00 0.00 39.78 36.85 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 0.50 2.18 -1.99 3.52 5.02 -1.26 -3.51 118.16 122.62 1x6g n LYS 51 Ca 0.00 -1.63 -0.01 0.00 -2.02 0.00 0.00 58.31 54.65 1x6g n LYS 51 Cb 0.00 -2.06 0.03 0.00 -0.02 0.00 0.00 35.03 32.97 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 1.73 -0.57 -3.51 4.39 2.88 -1.26 -5.02 113.62 112.26 1x6g n SER 52 Ca 0.46 -1.41 -0.17 0.00 -1.33 0.00 0.00 58.87 56.42 1x6g n SER 52 Cb 0.74 0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 64.51 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 0.04 -0.62 -0.16 0.66 0.52 -1.23 -3.21 118.94 114.93 1x6g s TRP 53 Ca 0.03 0.95 -0.07 0.00 0.02 0.00 0.00 56.10 57.03 1x6g s TRP 53 Cb 0.11 0.43 0.07 0.00 -1.15 0.00 0.00 33.47 32.93 1x6g s TRP 53 CO -0.03 -0.65 0.37 0.71 0.02 0.00 0.00 176.95 177.37 1x6g s TYR 54 N -1.70 -0.60 -0.52 -1.98 2.02 0.30 -4.59 117.35 110.27 1x6g s TYR 54 Ca -0.09 1.25 -0.24 0.00 -0.37 0.00 0.00 57.07 57.63 1x6g s TYR 54 Cb -0.00 0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.80 1x6g s TYR 54 CO 0.05 -0.37 0.90 0.50 -1.57 0.00 0.00 175.55 175.06 1x6g s ARG 55 N 1.91 3.36 0.44 -0.62 3.52 -1.11 -0.15 118.95 126.30 1x6g s ARG 55 Ca -0.06 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.39 1x6g s ARG 55 Cb -0.10 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.22 1x6g s ARG 55 CO -0.12 -1.38 0.14 0.14 -0.81 0.00 0.00 175.30 173.28 1x6g s VAL 56 N 3.76 2.00 -0.15 7.11 -7.23 -1.10 0.02 120.40 124.80 1x6g s VAL 56 Ca 0.30 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1x6g s VAL 56 Cb -0.12 -2.78 0.01 0.00 0.56 0.00 0.00 36.38 34.05 1x6g s VAL 56 CO 0.20 0.00 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.04 1x6g s LYS 57 N -3.90 2.94 -0.06 4.82 2.20 -0.46 -3.06 119.74 122.22 1x6g s LYS 57 Ca 0.34 -0.82 -0.30 0.00 -0.36 0.00 0.00 55.97 54.83 1x6g s LYS 57 Cb 0.04 -2.44 -0.04 0.00 -1.51 0.00 0.00 37.83 33.88 1x6g s LYS 57 CO 0.19 -0.10 1.26 -1.58 -0.36 0.00 0.00 175.35 174.75 1x6g s HIS 58 N 1.03 3.06 0.00 4.03 5.65 -0.66 -2.33 115.29 126.07 1x6g s HIS 58 Ca -0.02 1.09 0.00 0.00 0.25 0.00 0.00 55.06 56.38 1x6g s HIS 58 Cb -0.14 -3.49 0.00 0.00 -1.18 0.00 0.00 32.58 27.77 1x6g s HIS 58 CO -0.06 -1.64 0.52 1.58 -0.65 0.00 0.00 174.74 174.49 1x6g n HIS 59 N 5.43 0.00 -0.21 3.88 -0.00 -1.22 0.19 115.22 123.28 1x6g n HIS 59 Ca 0.12 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.23 1x6g n HIS 59 Cb 0.45 -0.02 -0.06 0.00 -0.12 0.00 0.00 29.99 30.25 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 0.02 3.57 2.02 -1.93 -1.99 112.91 114.59 1x6g h THR 60 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1x6g h THR 60 Cb 0.00 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 1x6g h THR 60 CO 0.00 0.00 -0.31 0.28 0.37 0.00 0.00 175.52 175.86 1x6g h SER 61 N -0.06 -0.94 0.00 4.18 0.02 -1.98 -3.46 113.55 111.31 1x6g h SER 61 Ca 0.08 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1x6g h SER 61 Cb 0.27 0.35 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1x6g h SER 61 CO -0.51 -0.31 0.00 0.61 -1.14 0.00 0.00 176.83 175.49 1x6g n GLY 62 N -1.27 0.85 4.00 -3.77 0.00 0.49 -5.03 105.19 100.46 1x6g n GLY 62 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.88 2.25 -0.06 1.61 -0.21 -1.24 -4.84 119.66 116.30 1x6g s GLN 63 Ca 0.00 -1.13 -0.01 0.00 0.02 0.00 0.00 55.36 54.25 1x6g s GLN 63 Cb 0.00 -2.51 0.03 0.00 1.00 0.00 0.00 33.01 31.53 1x6g s GLN 63 CO 0.00 -0.92 -0.01 -1.21 -2.12 0.00 0.00 175.29 171.03 1x6g s GLU 64 N -4.81 0.65 0.32 2.91 2.02 -1.26 -1.65 118.70 116.88 1x6g s GLU 64 Ca 0.61 0.05 -0.06 0.00 0.02 0.00 0.00 54.97 55.59 1x6g s GLU 64 Cb -0.08 -0.91 0.00 0.00 0.10 0.00 0.00 34.13 33.24 1x6g s GLU 64 CO 0.40 -0.24 0.49 0.20 0.02 0.00 0.00 175.26 176.12 1x6g s GLY 65 N 1.66 1.21 0.47 -1.39 0.00 -1.17 -4.87 107.32 103.22 1x6g s GLY 65 Ca 0.00 -1.34 -0.19 0.00 0.00 0.00 0.00 44.72 43.19 1x6g s GLY 65 CO -0.04 -0.89 0.97 1.08 0.00 0.00 0.00 173.10 174.23 1x6g s LEU 66 N -3.18 3.80 0.01 0.66 1.43 -1.26 -2.70 118.68 117.44 1x6g s LEU 66 Ca 0.28 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 55.05 1x6g s LEU 66 Cb -0.00 -4.53 -0.01 0.00 0.03 0.00 0.00 46.19 41.67 1x6g s LEU 66 CO 0.17 -0.49 -0.03 -0.22 0.23 0.00 0.00 176.35 176.00 1x6g s LEU 67 N -3.58 2.13 0.08 1.79 0.20 0.78 -4.14 118.68 115.95 1x6g s LEU 67 Ca 0.61 -0.30 -0.31 0.00 0.69 0.00 0.00 54.13 54.83 1x6g s LEU 67 Cb -0.10 -0.04 -0.07 0.00 -0.43 0.00 0.00 46.19 45.56 1x6g s LEU 67 CO 0.21 -0.13 1.30 0.00 -0.29 0.00 0.00 176.35 177.44 1x6g s ALA 68 N -0.80 3.50 0.24 5.97 0.00 -1.26 0.11 121.76 129.51 1x6g s ALA 68 Ca -0.07 0.97 0.32 0.00 0.00 0.00 0.00 51.96 53.19 1x6g s ALA 68 Cb -0.06 -3.50 1.44 0.00 0.00 0.00 0.00 23.12 21.01 1x6g s ALA 68 CO -0.00 -0.55 2.02 0.00 0.00 0.00 0.00 175.76 177.23 1x6g h ALA 69 N 6.86 1.05 -0.01 0.00 0.00 -1.83 -1.14 119.26 124.19 1x6g h ALA 69 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1x6g h ALA 69 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x6g h ALA 69 CO 0.84 0.08 -0.36 0.41 0.00 0.00 0.00 179.25 180.22 1x6g n GLY 70 N -0.22 -0.67 0.93 0.00 0.00 -1.26 -3.69 105.19 100.27 1x6g n GLY 70 Ca -0.00 -0.43 0.05 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.77 3.30 -2.53 4.61 0.00 -0.44 -4.95 120.51 119.72 1x6g n ALA 71 Ca 0.10 -2.54 -0.21 0.00 0.00 0.00 0.00 53.44 50.80 1x6g n ALA 71 Cb 0.36 -0.71 -0.12 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.94 2.36 0.24 0.00 1.43 -1.13 -2.18 118.68 116.45 1x6g s LEU 72 Ca 0.42 -0.76 -0.05 0.00 -1.03 0.00 0.00 54.13 52.71 1x6g s LEU 72 Cb 0.36 -0.73 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1x6g s LEU 72 CO 0.06 -0.04 0.30 0.00 0.23 0.00 0.00 176.35 176.90 1x6g s ARG 73 N -2.33 1.41 -0.35 1.70 1.04 0.13 -4.83 118.95 115.72 1x6g s ARG 73 Ca 0.08 -1.52 -0.22 0.00 -1.04 0.00 0.00 55.73 53.04 1x6g s ARG 73 Cb -0.07 0.36 0.00 0.00 -2.04 0.00 0.00 34.95 33.20 1x6g s ARG 73 CO 0.04 -0.53 0.71 -2.00 -0.04 0.00 0.00 175.30 173.48 1x6g s GLU 74 N -3.99 3.75 0.13 3.89 2.12 -1.26 -0.09 118.70 123.25 1x6g s GLU 74 Ca 0.32 0.22 -0.28 0.00 0.36 0.00 0.00 54.97 55.59 1x6g s GLU 74 Cb 0.03 -3.80 -0.05 0.00 0.26 0.00 0.00 34.13 30.58 1x6g s GLU 74 CO 0.12 -0.76 1.60 -0.09 -0.54 0.00 0.00 175.26 175.59 1x6g h ARG 75 N 8.42 -0.45 -6.41 4.30 2.43 -1.89 -3.47 114.38 117.31 1x6g h ARG 75 Ca -0.26 0.03 -0.36 0.00 -0.81 0.00 0.00 59.98 58.58 1x6g h ARG 75 Cb 1.10 0.10 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1x6g h ARG 75 CO 0.87 -0.30 -0.97 -1.13 -1.51 0.00 0.00 179.97 176.92 1x6g n SER 76 N -5.42 -5.66 -4.18 -3.80 3.41 -1.26 -4.82 113.62 91.89 1x6g n SER 76 Ca -0.04 -0.46 -0.36 0.00 -0.26 0.00 0.00 58.87 57.75 1x6g n SER 76 Cb 0.34 -2.37 0.05 0.00 -0.26 0.00 0.00 64.21 61.97 1x6g n SER 76 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6g n GLY 77 N -1.02 -3.52 3.78 5.00 0.00 -1.26 -4.94 105.19 103.22 1x6g n GLY 77 Ca -0.17 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.15 0.70 0.38 1.61 0.04 -1.26 -5.08 135.00 129.23 1x6g s PRO 78 Ca 0.50 0.11 0.08 0.00 0.04 0.00 0.00 61.00 61.73 1x6g s PRO 78 Cb -0.28 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1x6g s PRO 78 CO 0.74 -2.46 0.25 -1.12 0.04 0.00 0.00 177.00 174.44 1x6g s SER 79 N -4.16 4.85 0.72 6.66 0.01 -1.26 -5.09 113.70 115.43 1x6g s SER 79 Ca 0.67 -0.78 -0.16 0.00 1.31 0.00 0.00 55.95 56.99 1x6g s SER 79 Cb -0.12 -0.68 -0.02 0.00 0.21 0.00 0.00 66.02 65.42 1x6g s SER 79 CO 0.54 -0.46 0.75 -1.20 0.41 0.00 0.00 173.24 173.27 1x6g n SER 80 N -1.33 -0.37 0.00 2.44 7.64 -1.26 -5.35 113.62 115.40 1x6g n SER 80 Ca -0.00 0.63 0.12 0.00 1.01 0.00 0.00 58.87 60.63 1x6g n SER 80 Cb 0.62 -1.31 0.72 0.00 -1.01 0.00 0.00 64.21 63.23 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64