#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 6.64 0.14 1.61 1.04 -1.26 -5.00 113.70 116.87 1x6g s SER 2 Ca 0.00 0.58 -0.18 0.00 0.48 0.00 0.00 55.95 56.82 1x6g s SER 2 Cb 0.00 -2.42 0.05 0.00 0.10 0.00 0.00 66.02 63.75 1x6g s SER 2 CO 0.00 -0.69 0.48 -0.55 0.98 0.00 0.00 173.24 173.46 1x6g s SER 3 N 1.72 -0.34 0.00 7.02 0.15 -1.26 -5.17 113.70 115.81 1x6g s SER 3 Ca 0.33 -0.23 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1x6g s SER 3 Cb -0.13 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 1x6g s SER 3 CO 0.15 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.29 1x6g n GLY 4 N -0.28 1.69 3.15 9.45 0.00 -1.26 -5.13 105.19 112.80 1x6g n GLY 4 Ca -0.16 -1.54 0.04 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.00 -1.08 -0.17 1.61 0.01 -1.26 -5.12 113.70 106.70 1x6g s SER 5 Ca 0.00 0.59 -0.35 0.00 1.31 0.00 0.00 55.95 57.50 1x6g s SER 5 Cb 0.00 1.87 -0.12 0.00 0.21 0.00 0.00 66.02 67.98 1x6g s SER 5 CO 0.00 -0.20 1.93 -1.20 0.41 0.00 0.00 173.24 174.18 1x6g n SER 6 N 5.43 3.10 0.00 2.44 7.64 -1.26 -4.68 113.62 126.29 1x6g n SER 6 Ca -0.02 0.85 0.00 0.00 1.01 0.00 0.00 58.87 60.71 1x6g n SER 6 Cb 0.52 -1.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 1x6g n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 7 N 4.80 0.92 3.25 0.23 0.00 -1.26 -5.18 105.19 107.96 1x6g n GLY 7 Ca 0.26 0.42 -0.14 0.00 0.00 0.00 0.00 46.02 46.57 1x6g n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x6g s ARG 8 N 3.05 1.13 -0.21 1.61 1.04 -1.26 -5.17 118.95 119.14 1x6g s ARG 8 Ca 0.00 -1.54 -0.28 0.00 -1.04 0.00 0.00 55.73 52.87 1x6g s ARG 8 Cb 0.00 -0.33 0.13 0.00 -2.04 0.00 0.00 34.95 32.71 1x6g s ARG 8 CO 0.00 -0.11 1.02 0.00 -0.04 0.00 0.00 175.30 176.17 1x6g s MET 9 N -3.90 0.55 0.70 3.89 0.23 -1.26 -5.14 119.30 114.37 1x6g s MET 9 Ca 0.24 0.33 -0.11 0.00 -1.03 0.00 0.00 55.69 55.12 1x6g s MET 9 Cb 0.06 0.26 0.01 0.00 -1.53 0.00 0.00 34.83 33.63 1x6g s MET 9 CO 0.04 -0.13 1.06 -1.25 -2.03 0.00 0.00 175.02 172.71 1x6g s PRO 10 N -0.54 2.93 -0.97 3.16 0.04 -1.26 -4.98 135.00 133.37 1x6g s PRO 10 Ca 0.00 0.95 -0.01 0.00 0.04 0.00 0.00 61.00 61.98 1x6g s PRO 10 Cb -0.02 -1.99 0.31 0.00 0.04 0.00 0.00 34.50 32.84 1x6g s PRO 10 CO -0.02 -1.10 1.51 0.25 0.04 0.00 0.00 177.00 177.68 1x6g n THR 11 N -3.13 5.19 -4.55 1.26 -2.24 -1.26 -4.99 114.28 104.56 1x6g n THR 11 Ca 0.07 -5.87 -0.29 0.00 -2.27 0.00 0.00 64.05 55.70 1x6g n THR 11 Cb 0.54 -1.79 -0.09 0.00 -2.10 0.00 0.00 70.33 66.88 1x6g n THR 11 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1x6g s ARG 12 N -3.49 2.08 0.47 -0.78 1.81 -1.26 -5.07 118.95 112.72 1x6g s ARG 12 Ca 0.37 -2.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.23 1x6g s ARG 12 Cb 0.14 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.96 1x6g s ARG 12 CO -0.03 -0.18 0.00 0.54 -0.68 0.00 0.00 175.30 174.96 1x6g n ARG 13 N -1.13 -3.06 -2.89 3.54 5.12 -1.26 -4.71 116.66 112.26 1x6g n ARG 13 Ca -0.08 2.27 -0.41 0.00 -1.93 0.00 0.00 57.85 57.70 1x6g n ARG 13 Cb 0.66 -3.68 -0.04 0.00 -1.16 0.00 0.00 32.46 28.25 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 -3.22 3.64 0.72 -1.55 0.51 -1.26 -5.05 118.94 112.73 1x6g s TRP 14 Ca 0.00 1.47 -0.09 0.00 -2.12 0.00 0.00 56.10 55.36 1x6g s TRP 14 Cb 0.00 -2.94 0.05 0.00 -0.81 0.00 0.00 33.47 29.77 1x6g s TRP 14 CO 0.00 0.08 1.07 0.00 -0.51 0.00 0.00 176.95 177.58 1x6g s ALA 15 N 0.75 2.96 -0.38 0.98 0.00 -1.26 -4.95 121.76 119.86 1x6g s ALA 15 Ca 0.44 -0.68 -0.29 0.00 0.00 0.00 0.00 51.96 51.43 1x6g s ALA 15 Cb -0.20 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.13 1x6g s ALA 15 CO 0.23 -1.32 1.39 -1.25 0.00 0.00 0.00 175.76 174.81 1x6g s PRO 16 N -5.34 3.67 0.00 0.00 0.04 -1.26 -2.67 135.00 129.44 1x6g s PRO 16 Ca 0.59 1.04 0.00 0.00 0.04 0.00 0.00 61.00 62.68 1x6g s PRO 16 Cb -0.11 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.44 1x6g s PRO 16 CO 0.48 -1.44 0.00 0.41 0.04 0.00 0.00 177.00 176.48 1x6g n GLY 17 N 4.87 1.24 3.78 0.56 0.00 0.39 -4.93 105.19 111.09 1x6g n GLY 17 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.22 3.86 -0.31 2.61 2.01 -1.09 -4.62 115.64 116.88 1x6g s THR 18 Ca 0.00 1.55 -0.18 0.00 0.31 0.00 0.00 61.69 63.37 1x6g s THR 18 Cb 0.00 -3.86 -0.01 0.00 0.01 0.00 0.00 72.50 68.64 1x6g s THR 18 CO 0.00 0.13 0.51 -1.10 -0.69 0.00 0.00 174.62 173.47 1x6g s GLN 19 N -2.13 3.82 0.16 4.92 -0.21 -1.26 -1.11 119.66 123.85 1x6g s GLN 19 Ca 0.52 0.05 0.07 0.00 0.02 0.00 0.00 55.36 56.02 1x6g s GLN 19 Cb -0.23 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.00 1x6g s GLN 19 CO 0.29 -0.52 0.01 0.00 -2.12 0.00 0.00 175.29 172.94 1x6g s ILE 21 N -1.68 3.06 0.07 0.00 -1.09 0.10 -2.47 121.20 119.18 1x6g s ILE 21 Ca 0.27 -1.29 -0.28 0.00 -2.23 0.00 0.00 60.65 57.12 1x6g s ILE 21 Cb -0.10 -2.38 -0.05 0.00 -1.58 0.00 0.00 42.46 38.36 1x6g s ILE 21 CO 0.19 0.19 0.89 0.42 -1.23 0.00 0.00 174.94 175.40 1x6g s THR 22 N -1.10 4.65 0.18 2.92 -4.23 -1.19 0.51 115.64 117.39 1x6g s THR 22 Ca 0.18 1.90 0.03 0.00 -1.18 0.00 0.00 61.69 62.62 1x6g s THR 22 Cb -0.11 -4.24 -0.12 0.00 1.34 0.00 0.00 72.50 69.37 1x6g s THR 22 CO 0.10 0.31 1.42 0.11 -0.54 0.00 0.00 174.62 176.02 1x6g h LYS 23 N 5.83 0.21 -4.93 3.99 1.57 -1.65 -2.52 116.57 119.07 1x6g h LYS 23 Ca -0.43 -0.21 -0.48 0.00 -1.87 0.00 0.00 60.65 57.66 1x6g h LYS 23 Cb 1.21 0.05 -0.13 0.00 0.08 0.00 0.00 32.23 33.44 1x6g h LYS 23 CO 0.72 0.91 -0.52 0.00 -0.57 0.00 0.00 179.45 179.99 1x6g s GLU 25 N -3.64 3.34 -0.27 0.00 -1.05 -1.26 -3.72 118.70 112.10 1x6g s GLU 25 Ca 0.33 -0.21 0.01 0.00 -0.15 0.00 0.00 54.97 54.95 1x6g s GLU 25 Cb 0.03 -3.10 0.07 0.00 -0.44 0.00 0.00 34.13 30.70 1x6g s GLU 25 CO 0.20 0.75 -0.01 -1.58 0.95 0.00 0.00 175.26 175.58 1x6g s HIS 26 N -1.04 2.51 -0.13 4.83 2.46 0.36 -4.86 115.29 119.42 1x6g s HIS 26 Ca 0.16 -1.98 0.01 0.00 0.47 0.00 0.00 55.06 53.72 1x6g s HIS 26 Cb -0.12 -1.85 -0.24 0.00 -0.13 0.00 0.00 32.58 30.24 1x6g s HIS 26 CO 0.06 -0.82 0.31 0.25 -2.47 0.00 0.00 174.74 172.06 1x6g n THR 27 N 4.63 1.67 -3.87 0.89 -2.24 -1.25 0.31 114.28 114.42 1x6g n THR 27 Ca -0.07 -0.69 -0.30 0.00 -2.27 0.00 0.00 64.05 60.72 1x6g n THR 27 Cb 0.43 -1.44 -0.14 0.00 -2.10 0.00 0.00 70.33 67.09 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 -2.56 1.63 1.04 -0.78 1.81 -1.26 -4.86 118.95 113.98 1x6g s ARG 28 Ca -0.20 -2.26 -0.16 0.00 -1.72 0.00 0.00 55.73 51.39 1x6g s ARG 28 Cb 0.07 -2.91 0.22 0.00 -0.45 0.00 0.00 34.95 31.88 1x6g s ARG 28 CO 0.76 -1.10 1.20 -1.25 -0.68 0.00 0.00 175.30 174.23 1x6g s PRO 29 N 0.15 0.05 1.30 3.54 0.04 -1.26 -5.04 135.00 133.77 1x6g s PRO 29 Ca 0.16 -0.12 -0.19 0.00 0.04 0.00 0.00 61.00 60.89 1x6g s PRO 29 Cb -0.24 -1.75 0.32 0.00 0.04 0.00 0.00 34.50 32.87 1x6g s PRO 29 CO -0.02 -2.86 1.00 0.15 0.04 0.00 0.00 177.00 175.31 1x6g s LYS 30 N -5.57 -1.98 -0.92 4.56 1.02 -1.26 -4.83 119.74 110.75 1x6g s LYS 30 Ca 0.70 0.27 -0.24 0.00 0.02 0.00 0.00 55.97 56.72 1x6g s LYS 30 Cb -0.08 -1.48 0.00 0.00 -0.52 0.00 0.00 37.83 35.75 1x6g s LYS 30 CO 0.54 -4.28 1.68 -1.25 -0.92 0.00 0.00 175.35 171.12 1x6g s PRO 31 N -4.99 3.06 0.00 -1.68 0.04 -1.26 -2.25 135.00 127.92 1x6g s PRO 31 Ca 0.69 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.13 1x6g s PRO 31 Cb -0.16 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.29 1x6g s PRO 31 CO 0.59 -2.73 0.00 0.41 0.04 0.00 0.00 177.00 175.31 1x6g n GLY 32 N 6.70 1.78 3.74 0.56 0.00 -1.26 -5.13 105.19 111.57 1x6g n GLY 32 Ca 0.33 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.10 2.15 0.22 1.61 2.02 -0.95 -4.65 118.70 119.00 1x6g s GLU 33 Ca 0.00 -2.11 0.03 0.00 0.02 0.00 0.00 54.97 52.91 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 -0.24 0.36 -1.17 0.02 0.00 0.00 175.26 174.23 1x6g s LEU 34 N -3.90 4.29 0.31 1.80 2.96 -1.25 -4.79 118.68 118.10 1x6g s LEU 34 Ca 0.28 0.16 0.09 0.00 -0.22 0.00 0.00 54.13 54.43 1x6g s LEU 34 Cb 0.04 -2.94 -0.04 0.00 0.50 0.00 0.00 46.19 43.74 1x6g s LEU 34 CO 0.15 -0.06 0.09 0.00 -1.32 0.00 0.00 176.35 175.21 1x6g s ALA 35 N -1.95 3.37 0.03 5.97 0.00 -1.26 -4.56 121.76 123.36 1x6g s ALA 35 Ca 0.35 -1.77 -0.28 0.00 0.00 0.00 0.00 51.96 50.27 1x6g s ALA 35 Cb -0.10 -0.74 0.10 0.00 0.00 0.00 0.00 23.12 22.39 1x6g s ALA 35 CO 0.30 0.12 1.23 -0.59 0.00 0.00 0.00 175.76 176.81 1x6g s PHE 36 N -2.39 -0.00 0.55 0.00 -0.12 0.15 -5.01 117.98 111.16 1x6g s PHE 36 Ca 0.35 -0.16 0.04 0.00 -0.05 0.00 0.00 56.93 57.11 1x6g s PHE 36 Cb -0.04 0.58 0.03 0.00 -0.63 0.00 0.00 43.02 42.96 1x6g s PHE 36 CO 0.22 -0.41 0.29 1.03 -0.05 0.00 0.00 175.22 176.30 1x6g s ARG 37 N -2.29 2.24 0.01 1.99 1.81 -1.26 0.14 118.95 121.58 1x6g s ARG 37 Ca 0.21 -2.16 -0.30 0.00 -1.72 0.00 0.00 55.73 51.76 1x6g s ARG 37 Cb 0.01 -1.92 -0.04 0.00 -0.45 0.00 0.00 34.95 32.55 1x6g s ARG 37 CO -0.01 -0.58 1.05 0.21 -0.68 0.00 0.00 175.30 175.29 1x6g s LYS 38 N -4.18 4.51 -0.25 3.54 2.20 -1.24 -3.61 119.74 120.71 1x6g s LYS 38 Ca 0.24 1.52 -0.00 0.00 -0.36 0.00 0.00 55.97 57.37 1x6g s LYS 38 Cb -0.01 -3.44 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1x6g s LYS 38 CO 0.15 -0.13 0.21 0.41 -0.36 0.00 0.00 175.35 175.63 1x6g n GLY 39 N 3.01 0.37 3.75 5.54 0.00 -0.95 -4.94 105.19 111.97 1x6g n GLY 39 Ca 0.07 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.22 5.54 -0.12 1.61 1.01 -1.24 -4.87 116.67 115.38 1x6g s ASP 40 Ca 0.03 0.12 -0.15 0.00 0.71 0.00 0.00 52.55 53.26 1x6g s ASP 40 Cb -0.01 -1.56 -0.05 0.00 1.01 0.00 0.00 42.92 42.31 1x6g s ASP 40 CO 0.15 0.29 0.36 -0.69 0.21 0.00 0.00 175.17 175.48 1x6g s VAL 41 N -1.14 5.23 0.27 -1.27 1.01 -1.26 -3.17 120.40 120.07 1x6g s VAL 41 Ca 0.21 0.70 0.04 0.00 0.00 0.00 0.00 61.98 62.93 1x6g s VAL 41 Cb -0.12 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1x6g s VAL 41 CO 0.12 0.42 0.15 1.33 0.00 0.00 0.00 175.10 177.11 1x6g n VAL 42 N 3.22 0.00 -3.69 2.92 0.24 -1.03 -3.53 118.33 116.45 1x6g n VAL 42 Ca -0.11 -1.73 -0.21 0.00 -2.04 0.00 0.00 64.34 60.25 1x6g n VAL 42 Cb 0.52 0.72 -0.18 0.00 -1.47 0.00 0.00 33.84 33.43 1x6g n VAL 42 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x6g s THR 43 N -2.79 0.03 -0.25 3.34 2.01 -1.09 -3.45 115.64 113.44 1x6g s THR 43 Ca 0.21 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 62.23 1x6g s THR 43 Cb 0.01 -0.29 -0.06 0.00 0.01 0.00 0.00 72.50 72.18 1x6g s THR 43 CO 0.15 0.17 2.25 -0.38 -0.69 0.00 0.00 174.62 176.11 1x6g n ILE 44 N 5.25 0.30 -0.03 1.82 2.08 -0.27 -1.53 119.36 126.98 1x6g n ILE 44 Ca -0.04 -0.49 -0.00 0.00 0.56 0.00 0.00 62.75 62.78 1x6g n ILE 44 Cb 0.50 -2.55 -0.00 0.00 -0.75 0.00 0.00 39.64 36.84 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 15.41 0.00 -7.95 1.39 3.38 -0.08 1.13 115.31 128.59 1x6g h LEU 45 Ca -0.39 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.49 1x6g h LEU 45 Cb 1.25 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.87 1x6g h LEU 45 CO 0.98 0.34 -0.32 -0.70 0.09 0.00 0.00 178.44 178.83 1x6g s GLU 46 N -1.37 1.05 -0.07 1.13 2.12 -0.95 -4.67 118.70 115.95 1x6g s GLU 46 Ca -0.00 -1.07 0.03 0.00 0.36 0.00 0.00 54.97 54.29 1x6g s GLU 46 Cb 0.00 0.37 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 1x6g s GLU 46 CO 0.00 -0.38 -0.16 0.00 -0.54 0.00 0.00 175.26 174.19 1x6g s ALA 47 N -3.92 2.56 0.27 6.30 0.00 -1.26 -2.61 121.76 123.09 1x6g s ALA 47 Ca 0.12 -0.98 0.11 0.00 0.00 0.00 0.00 51.96 51.22 1x6g s ALA 47 Cb 0.04 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 1x6g s ALA 47 CO -0.04 0.47 -0.13 0.00 0.00 0.00 0.00 175.76 176.06 1x6g s GLU 49 N -3.55 4.13 0.00 0.00 2.12 -1.26 -4.06 118.70 116.09 1x6g s GLU 49 Ca 0.30 2.00 0.00 0.00 0.36 0.00 0.00 54.97 57.63 1x6g s GLU 49 Cb -0.06 -3.95 0.00 0.00 0.26 0.00 0.00 34.13 30.39 1x6g s GLU 49 CO 0.17 -0.88 0.00 -1.71 -0.54 0.00 0.00 175.26 172.29 1x6g n ASN 50 N 7.22 0.00 -1.46 -1.70 5.15 -1.26 -4.97 115.26 118.24 1x6g n ASN 50 Ca 0.17 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 54.01 1x6g n ASN 50 Cb 0.44 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.66 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1x6g n LYS 51 N 0.00 -1.09 -0.80 1.20 5.02 -1.26 -4.80 118.16 116.43 1x6g n LYS 51 Ca 0.00 0.78 -0.02 0.00 -2.02 0.00 0.00 58.31 57.05 1x6g n LYS 51 Cb 0.00 -5.02 -0.02 0.00 -0.02 0.00 0.00 35.03 29.97 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 -0.58 -0.24 -3.54 4.39 2.88 -1.26 -4.88 113.62 110.38 1x6g n SER 52 Ca -0.16 -1.62 -0.16 0.00 -1.33 0.00 0.00 58.87 55.61 1x6g n SER 52 Cb 0.58 0.05 -0.06 0.00 -0.75 0.00 0.00 64.21 64.03 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 -0.59 -0.18 0.66 0.52 -1.26 -2.92 118.94 115.17 1x6g s TRP 53 Ca 0.04 1.03 -0.09 0.00 0.02 0.00 0.00 56.10 57.10 1x6g s TRP 53 Cb 0.05 0.41 0.06 0.00 -1.15 0.00 0.00 33.47 32.85 1x6g s TRP 53 CO -0.02 -0.53 0.42 0.71 0.02 0.00 0.00 176.95 177.55 1x6g s TYR 54 N -1.09 -0.65 -0.51 -1.98 2.02 0.24 -4.53 117.35 110.85 1x6g s TYR 54 Ca -0.08 1.35 -0.24 0.00 -0.37 0.00 0.00 57.07 57.73 1x6g s TYR 54 Cb -0.00 0.29 0.04 0.00 -0.40 0.00 0.00 41.96 41.88 1x6g s TYR 54 CO 0.07 -0.37 0.89 0.50 -1.57 0.00 0.00 175.55 175.08 1x6g s ARG 55 N 1.54 3.38 0.48 -0.62 3.52 -1.07 -0.57 118.95 125.60 1x6g s ARG 55 Ca -0.09 -0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1x6g s ARG 55 Cb -0.09 -4.00 -0.03 0.00 -1.56 0.00 0.00 34.95 29.27 1x6g s ARG 55 CO -0.13 -1.33 0.04 0.14 -0.81 0.00 0.00 175.30 173.20 1x6g s VAL 56 N 3.70 1.50 -0.13 7.11 -7.23 -1.18 0.67 120.40 124.84 1x6g s VAL 56 Ca 0.31 -1.95 0.02 0.00 -1.81 0.00 0.00 61.98 58.55 1x6g s VAL 56 Cb -0.12 -2.45 0.01 0.00 0.56 0.00 0.00 36.38 34.38 1x6g s VAL 56 CO 0.21 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.07 1x6g s LYS 57 N -3.86 2.56 -0.12 4.82 2.20 -0.58 -3.39 119.74 121.38 1x6g s LYS 57 Ca 0.18 -0.68 -0.29 0.00 -0.36 0.00 0.00 55.97 54.81 1x6g s LYS 57 Cb 0.04 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 34.18 1x6g s LYS 57 CO 0.10 -0.08 1.36 -1.58 -0.36 0.00 0.00 175.35 174.79 1x6g s HIS 58 N 1.01 2.67 0.02 4.03 5.65 -0.71 -2.66 115.29 125.30 1x6g s HIS 58 Ca -0.04 0.82 -0.16 0.00 0.25 0.00 0.00 55.06 55.93 1x6g s HIS 58 Cb -0.15 -3.60 -0.09 0.00 -1.18 0.00 0.00 32.58 27.56 1x6g s HIS 58 CO -0.04 -2.22 1.23 0.45 -0.65 0.00 0.00 174.74 173.52 1x6g h HIS 59 N 8.44 -0.52 0.25 3.88 3.86 -1.90 1.42 115.15 130.57 1x6g h HIS 59 Ca -0.31 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 1x6g h HIS 59 Cb 1.13 0.17 -0.02 0.00 1.06 0.00 0.00 27.41 29.76 1x6g h HIS 59 CO 0.81 -0.32 -0.30 1.15 0.86 0.00 0.00 177.93 180.13 1x6g h THR 60 N -0.56 0.00 0.17 2.45 2.02 -1.92 -3.17 112.91 111.90 1x6g h THR 60 Ca -0.06 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1x6g h THR 60 Cb 0.43 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1x6g h THR 60 CO 0.09 0.00 -0.37 0.28 0.37 0.00 0.00 175.52 175.90 1x6g h SER 61 N -0.56 -1.07 0.00 4.18 0.02 -1.97 -3.46 113.55 110.69 1x6g h SER 61 Ca -0.03 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 1x6g h SER 61 Cb 0.50 0.38 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1x6g h SER 61 CO -0.07 -0.41 0.00 0.61 -1.14 0.00 0.00 176.83 175.82 1x6g n GLY 62 N -1.36 0.90 3.98 -3.77 0.00 0.49 -5.03 105.19 100.41 1x6g n GLY 62 Ca -0.07 -0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.45 2.43 -0.11 1.61 -0.21 -1.24 -4.85 119.66 116.85 1x6g s GLN 63 Ca 0.00 -1.62 -0.01 0.00 0.02 0.00 0.00 55.36 53.74 1x6g s GLN 63 Cb 0.00 -2.53 0.03 0.00 1.00 0.00 0.00 33.01 31.52 1x6g s GLN 63 CO 0.00 -0.60 -0.01 -1.21 -2.12 0.00 0.00 175.29 171.35 1x6g s GLU 64 N -4.45 0.81 0.30 2.91 2.02 -1.26 -1.74 118.70 117.28 1x6g s GLU 64 Ca 0.53 -0.08 -0.07 0.00 0.02 0.00 0.00 54.97 55.38 1x6g s GLU 64 Cb -0.06 -1.33 0.00 0.00 0.10 0.00 0.00 34.13 32.84 1x6g s GLU 64 CO 0.33 -0.37 0.47 0.20 0.02 0.00 0.00 175.26 175.91 1x6g s GLY 65 N 1.89 1.10 0.50 -1.39 0.00 -1.22 -4.82 107.32 103.39 1x6g s GLY 65 Ca 0.04 -1.27 -0.19 0.00 0.00 0.00 0.00 44.72 43.30 1x6g s GLY 65 CO -0.06 -0.86 1.01 1.08 0.00 0.00 0.00 173.10 174.26 1x6g s LEU 66 N -3.15 3.74 -0.01 0.66 1.43 -1.26 -3.10 118.68 116.99 1x6g s LEU 66 Ca 0.28 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1x6g s LEU 66 Cb -0.00 -4.54 0.01 0.00 0.03 0.00 0.00 46.19 41.69 1x6g s LEU 66 CO 0.15 -0.71 0.00 -0.22 0.23 0.00 0.00 176.35 175.81 1x6g s LEU 67 N -3.78 1.67 0.23 1.79 0.20 0.27 -3.95 118.68 115.12 1x6g s LEU 67 Ca 0.63 0.00 -0.31 0.00 0.69 0.00 0.00 54.13 55.14 1x6g s LEU 67 Cb -0.13 -0.06 -0.11 0.00 -0.43 0.00 0.00 46.19 45.46 1x6g s LEU 67 CO 0.25 -0.04 1.61 0.00 -0.29 0.00 0.00 176.35 177.88 1x6g s ALA 68 N 0.37 3.80 0.13 5.97 0.00 -1.26 0.81 121.76 131.59 1x6g s ALA 68 Ca -0.03 1.51 0.22 0.00 0.00 0.00 0.00 51.96 53.66 1x6g s ALA 68 Cb -0.05 -3.65 0.82 0.00 0.00 0.00 0.00 23.12 20.24 1x6g s ALA 68 CO -0.01 -0.89 1.79 0.00 0.00 0.00 0.00 175.76 176.64 1x6g h ALA 69 N 5.92 1.01 -0.01 0.00 0.00 -1.81 -2.23 119.26 122.13 1x6g h ALA 69 Ca -0.45 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1x6g h ALA 69 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1x6g h ALA 69 CO 0.87 0.34 -0.16 0.41 0.00 0.00 0.00 179.25 180.71 1x6g n GLY 70 N 0.21 -0.35 0.74 0.00 0.00 -1.26 -3.55 105.19 100.97 1x6g n GLY 70 Ca 0.00 -0.43 0.09 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.31 2.83 -2.49 4.61 0.00 -0.85 -4.95 120.51 119.35 1x6g n ALA 71 Ca 0.15 -2.28 -0.24 0.00 0.00 0.00 0.00 53.44 51.07 1x6g n ALA 71 Cb 0.36 -0.64 -0.12 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.71 2.36 0.23 0.00 1.43 -1.17 -1.69 118.68 117.13 1x6g s LEU 72 Ca 0.39 -0.77 -0.05 0.00 -1.03 0.00 0.00 54.13 52.67 1x6g s LEU 72 Cb 0.32 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.60 1x6g s LEU 72 CO 0.08 0.04 0.28 0.00 0.23 0.00 0.00 176.35 176.98 1x6g s ARG 73 N -2.31 1.40 -0.33 1.70 1.04 0.18 -4.84 118.95 115.79 1x6g s ARG 73 Ca 0.12 -1.54 -0.22 0.00 -1.04 0.00 0.00 55.73 53.05 1x6g s ARG 73 Cb -0.08 0.35 -0.00 0.00 -2.04 0.00 0.00 34.95 33.18 1x6g s ARG 73 CO 0.06 -0.52 0.70 -2.00 -0.04 0.00 0.00 175.30 173.49 1x6g s GLU 74 N -3.99 3.83 0.11 3.89 2.12 -1.26 0.00 118.70 123.40 1x6g s GLU 74 Ca 0.33 0.30 -0.36 0.00 0.36 0.00 0.00 54.97 55.60 1x6g s GLU 74 Cb 0.04 -3.77 -0.16 0.00 0.26 0.00 0.00 34.13 30.50 1x6g s GLU 74 CO 0.13 -0.69 1.42 -2.13 -0.54 0.00 0.00 175.26 173.44 1x6g n ARG 75 N 6.10 1.46 -3.64 4.30 0.63 -1.25 -4.87 116.66 119.39 1x6g n ARG 75 Ca 0.01 0.53 -0.03 0.00 -0.92 0.00 0.00 57.85 57.44 1x6g n ARG 75 Cb 0.48 -2.21 -0.07 0.00 0.45 0.00 0.00 32.46 31.12 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 0.63 -0.35 0.14 6.15 1.04 -1.26 -5.06 113.70 114.99 1x6g s SER 76 Ca 0.83 0.60 0.02 0.00 0.48 0.00 0.00 55.95 57.87 1x6g s SER 76 Cb -0.87 0.95 0.02 0.00 0.10 0.00 0.00 66.02 66.22 1x6g s SER 76 CO 0.44 -0.10 0.15 0.61 0.98 0.00 0.00 173.24 175.32 1x6g n GLY 77 N 2.98 2.51 3.30 7.32 0.00 -1.26 -4.99 105.19 115.04 1x6g n GLY 77 Ca -0.16 -2.18 -0.39 0.00 0.00 0.00 0.00 46.02 43.29 1x6g n GLY 77 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x6g n PRO 78 N -1.04 2.30 -0.94 1.61 -0.04 -1.26 -4.95 135.00 130.68 1x6g n PRO 78 Ca 0.02 -2.59 -0.36 0.00 -0.04 0.00 0.00 63.50 60.52 1x6g n PRO 78 Cb 0.15 -3.39 0.06 0.00 -0.04 0.00 0.00 33.50 30.28 1x6g n PRO 78 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x6g n SER 79 N 9.39 -4.49 -4.28 3.54 7.64 -1.26 -4.98 113.62 119.18 1x6g n SER 79 Ca 0.49 0.15 -0.30 0.00 1.01 0.00 0.00 58.87 60.22 1x6g n SER 79 Cb 0.43 -0.81 -0.16 0.00 -1.01 0.00 0.00 64.21 62.66 1x6g n SER 79 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x6g s SER 80 N -1.25 2.88 0.00 6.43 0.15 -1.26 -5.31 113.70 115.34 1x6g s SER 80 Ca 0.44 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.64 1x6g s SER 80 Cb -0.13 -0.37 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1x6g s SER 80 CO 0.76 0.29 0.35 0.61 1.20 0.00 0.00 173.24 176.45