#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 -7.77 -0.09 1.61 7.64 -1.26 -4.85 113.62 108.91 1x6g n SER 2 Ca 0.00 0.90 -0.10 0.00 1.01 0.00 0.00 58.87 60.69 1x6g n SER 2 Cb 0.00 -4.35 -0.03 0.00 -1.01 0.00 0.00 64.21 58.82 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 -4.32 1.92 0.00 6.43 7.64 -1.26 -5.12 113.62 118.91 1x6g n SER 3 Ca -0.03 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1x6g n SER 3 Cb 0.66 -0.77 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.47 -2.03 3.08 0.23 0.00 -1.26 -5.06 105.19 101.62 1x6g n GLY 4 Ca -0.15 -1.97 -0.00 0.00 0.00 0.00 0.00 46.02 43.89 1x6g n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x6g n SER 5 N 0.11 -6.78 -0.06 1.61 7.64 -1.26 -4.93 113.62 109.96 1x6g n SER 5 Ca 0.00 0.67 -0.05 0.00 1.01 0.00 0.00 58.87 60.50 1x6g n SER 5 Cb 0.00 -2.34 -0.05 0.00 -1.01 0.00 0.00 64.21 60.82 1x6g n SER 5 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x6g h SER 6 N 3.66 0.00 -4.55 6.43 0.02 -2.08 -3.51 113.55 113.52 1x6g h SER 6 Ca -0.01 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 1x6g h SER 6 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1x6g h SER 6 CO 0.02 0.68 0.00 0.61 -1.14 0.00 0.00 176.83 177.00 1x6g n GLY 7 N 1.72 0.05 3.49 -3.77 0.00 -1.26 -5.06 105.19 100.36 1x6g n GLY 7 Ca -0.04 -1.70 -0.03 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.93 0.51 0.30 1.61 6.06 -1.26 -5.17 118.95 118.07 1x6g s ARG 8 Ca 0.00 1.29 0.07 0.00 -2.50 0.00 0.00 55.73 54.59 1x6g s ARG 8 Cb 0.00 0.68 -0.03 0.00 0.06 0.00 0.00 34.95 35.66 1x6g s ARG 8 CO 0.00 -0.26 0.28 -1.64 -2.50 0.00 0.00 175.30 171.18 1x6g s MET 9 N 2.82 2.89 1.12 5.12 -1.94 -1.26 -5.13 119.30 122.92 1x6g s MET 9 Ca -0.02 -1.14 -0.19 0.00 -1.71 0.00 0.00 55.69 52.63 1x6g s MET 9 Cb -0.12 -2.58 0.27 0.00 2.01 0.00 0.00 34.83 34.41 1x6g s MET 9 CO -0.18 0.23 1.23 -0.35 -0.01 0.00 0.00 175.02 175.94 1x6g n PRO 10 N -1.34 -2.23 -4.27 2.03 -0.04 -1.26 -5.08 135.00 122.82 1x6g n PRO 10 Ca -0.04 -1.93 -0.27 0.00 -0.04 0.00 0.00 63.50 61.22 1x6g n PRO 10 Cb 0.59 -1.52 -0.09 0.00 -0.04 0.00 0.00 33.50 32.44 1x6g n PRO 10 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1x6g s THR 11 N -3.48 3.30 0.37 0.52 -1.32 -1.26 -5.01 115.64 108.75 1x6g s THR 11 Ca 0.74 -1.57 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1x6g s THR 11 Cb -0.04 -2.63 0.00 0.00 -1.51 0.00 0.00 72.50 68.32 1x6g s THR 11 CO 0.54 -0.08 0.00 -1.14 -2.21 0.00 0.00 174.62 171.73 1x6g n ARG 12 N 0.10 0.00 -1.18 7.08 3.00 -1.26 -5.12 116.66 119.27 1x6g n ARG 12 Ca -0.11 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.42 1x6g n ARG 12 Cb 0.55 0.00 0.11 0.00 0.00 0.00 0.00 32.46 33.12 1x6g n ARG 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1x6g s ARG 13 N -2.00 1.85 0.06 -0.14 0.52 -1.26 -4.95 118.95 113.03 1x6g s ARG 13 Ca 0.00 1.54 -0.30 0.00 -0.52 0.00 0.00 55.73 56.45 1x6g s ARG 13 Cb 0.00 -1.82 -0.05 0.00 0.52 0.00 0.00 34.95 33.60 1x6g s ARG 13 CO 0.00 -2.01 1.06 -1.58 0.02 0.00 0.00 175.30 172.79 1x6g s TRP 14 N -2.42 3.61 0.85 -0.53 0.51 -1.26 -5.03 118.94 114.67 1x6g s TRP 14 Ca 0.69 1.59 -0.12 0.00 -2.12 0.00 0.00 56.10 56.13 1x6g s TRP 14 Cb -0.24 -3.22 0.11 0.00 -0.81 0.00 0.00 33.47 29.31 1x6g s TRP 14 CO 0.51 -0.43 1.17 0.00 -0.51 0.00 0.00 176.95 177.70 1x6g s ALA 15 N 0.66 2.35 -0.07 0.98 0.00 -1.26 -4.90 121.76 119.52 1x6g s ALA 15 Ca 0.53 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 51.55 1x6g s ALA 15 Cb -0.25 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 1x6g s ALA 15 CO 0.30 -1.92 1.23 -1.25 0.00 0.00 0.00 175.76 174.12 1x6g s PRO 16 N -5.50 4.33 0.00 0.00 0.04 -1.26 -2.89 135.00 129.72 1x6g s PRO 16 Ca 0.63 1.70 0.00 0.00 0.04 0.00 0.00 61.00 63.37 1x6g s PRO 16 Cb -0.12 -3.59 0.00 0.00 0.04 0.00 0.00 34.50 30.83 1x6g s PRO 16 CO 0.51 -0.50 0.00 0.41 0.04 0.00 0.00 177.00 177.45 1x6g n GLY 17 N 3.43 1.78 3.81 0.56 0.00 0.48 -4.95 105.19 110.31 1x6g n GLY 17 Ca 0.12 0.00 -0.32 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 -2.12 3.93 0.29 2.61 2.01 -1.14 -4.57 115.64 116.65 1x6g s THR 18 Ca 0.00 0.89 -0.05 0.00 0.31 0.00 0.00 61.69 62.84 1x6g s THR 18 Cb 0.00 -3.43 -0.05 0.00 0.01 0.00 0.00 72.50 69.02 1x6g s THR 18 CO 0.00 -0.56 0.56 -1.10 -0.69 0.00 0.00 174.62 172.83 1x6g s GLN 19 N -4.15 3.64 -0.02 4.92 -0.21 -1.26 -0.84 119.66 121.75 1x6g s GLN 19 Ca 0.62 0.03 -0.17 0.00 0.02 0.00 0.00 55.36 55.87 1x6g s GLN 19 Cb -0.15 -2.64 0.03 0.00 1.00 0.00 0.00 33.01 31.25 1x6g s GLN 19 CO 0.37 0.21 0.36 0.00 -2.12 0.00 0.00 175.29 174.11 1x6g s ILE 21 N -1.34 1.02 0.45 0.00 1.01 -0.33 -2.29 121.20 119.72 1x6g s ILE 21 Ca -0.13 -0.94 -0.18 0.00 0.00 0.00 0.00 60.65 59.40 1x6g s ILE 21 Cb -0.04 -0.93 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 1x6g s ILE 21 CO 0.05 -0.01 0.93 0.42 0.00 0.00 0.00 174.94 176.33 1x6g s THR 22 N -0.83 4.50 -0.20 2.92 -4.23 -1.23 0.19 115.64 116.76 1x6g s THR 22 Ca 0.01 1.27 0.22 0.00 -1.18 0.00 0.00 61.69 62.01 1x6g s THR 22 Cb -0.08 -3.65 -0.12 0.00 1.34 0.00 0.00 72.50 69.99 1x6g s THR 22 CO 0.01 -0.46 0.87 0.29 -0.54 0.00 0.00 174.62 174.79 1x6g n LYS 23 N -1.00 0.59 -4.39 3.99 5.02 -1.23 -2.97 118.16 118.17 1x6g n LYS 23 Ca 0.06 0.01 -0.22 0.00 -2.02 0.00 0.00 58.31 56.14 1x6g n LYS 23 Cb 0.54 -1.71 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.58 3.02 -0.25 0.00 -1.05 -1.26 -3.39 118.70 112.19 1x6g s GLU 25 Ca 0.32 -0.50 -0.01 0.00 -0.15 0.00 0.00 54.97 54.64 1x6g s GLU 25 Cb 0.02 -2.83 0.07 0.00 -0.44 0.00 0.00 34.13 30.96 1x6g s GLU 25 CO 0.21 0.65 0.02 -1.58 0.95 0.00 0.00 175.26 175.51 1x6g s HIS 26 N -1.16 1.89 -0.16 4.83 2.46 0.48 -4.84 115.29 118.79 1x6g s HIS 26 Ca 0.22 -1.56 0.11 0.00 0.47 0.00 0.00 55.06 54.30 1x6g s HIS 26 Cb -0.12 -1.53 -0.23 0.00 -0.13 0.00 0.00 32.58 30.57 1x6g s HIS 26 CO 0.13 -0.76 0.22 0.25 -2.47 0.00 0.00 174.74 172.10 1x6g n THR 27 N 4.80 1.51 -3.80 0.89 -2.24 -1.26 -0.42 114.28 113.78 1x6g n THR 27 Ca -0.08 -0.77 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 1x6g n THR 27 Cb 0.44 -0.93 -0.14 0.00 -2.10 0.00 0.00 70.33 67.60 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 1.45 0.99 -0.78 1.81 -1.26 -4.89 118.95 113.74 1x6g s ARG 28 Ca -0.14 -2.11 -0.15 0.00 -1.72 0.00 0.00 55.73 51.61 1x6g s ARG 28 Cb 0.07 -2.64 0.19 0.00 -0.45 0.00 0.00 34.95 32.12 1x6g s ARG 28 CO 0.78 -1.12 1.18 -1.25 -0.68 0.00 0.00 175.30 174.20 1x6g s PRO 29 N 0.29 0.46 1.29 3.54 0.04 -1.26 -5.03 135.00 134.32 1x6g s PRO 29 Ca 0.17 0.04 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 1x6g s PRO 29 Cb -0.24 -1.78 0.30 0.00 0.04 0.00 0.00 34.50 32.82 1x6g s PRO 29 CO -0.02 -2.61 0.77 1.63 0.04 0.00 0.00 177.00 176.81 1x6g n LYS 30 N -4.00 -3.44 -2.31 4.56 5.02 -1.26 -4.79 118.16 111.93 1x6g n LYS 30 Ca 0.10 -1.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.05 1x6g n LYS 30 Cb 0.59 -1.94 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1x6g n LYS 30 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1x6g s PRO 31 N -4.46 3.10 0.00 1.97 0.04 -1.26 -2.17 135.00 132.22 1x6g s PRO 31 Ca 0.64 -0.78 0.00 0.00 0.04 0.00 0.00 61.00 60.89 1x6g s PRO 31 Cb -0.17 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.14 1x6g s PRO 31 CO 0.59 -2.81 0.00 0.41 0.04 0.00 0.00 177.00 175.23 1x6g n GLY 32 N 6.77 1.76 3.81 0.56 0.00 -1.26 -5.13 105.19 111.70 1x6g n GLY 32 Ca 0.37 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.14 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 2.26 0.21 1.61 2.02 -0.92 -4.75 118.70 119.12 1x6g s GLU 33 Ca 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.06 1x6g s GLU 33 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1x6g s GLU 33 CO 0.00 -0.31 0.39 -1.17 0.02 0.00 0.00 175.26 174.19 1x6g s LEU 34 N -4.04 4.23 0.18 1.80 2.96 -1.26 -4.78 118.68 117.77 1x6g s LEU 34 Ca 0.35 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.69 1x6g s LEU 34 Cb 0.01 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.53 1x6g s LEU 34 CO 0.20 -0.05 0.02 0.00 -1.32 0.00 0.00 176.35 175.20 1x6g s ALA 35 N -1.89 3.24 0.11 5.97 0.00 -1.26 -4.56 121.76 123.37 1x6g s ALA 35 Ca 0.38 -1.36 -0.26 0.00 0.00 0.00 0.00 51.96 50.72 1x6g s ALA 35 Cb -0.11 -1.03 0.07 0.00 0.00 0.00 0.00 23.12 22.06 1x6g s ALA 35 CO 0.29 0.47 0.83 -0.59 0.00 0.00 0.00 175.76 176.77 1x6g s PHE 36 N -1.76 -0.30 0.60 0.00 -0.12 0.44 -5.03 117.98 111.81 1x6g s PHE 36 Ca 0.28 0.06 0.05 0.00 -0.05 0.00 0.00 56.93 57.28 1x6g s PHE 36 Cb -0.09 0.59 0.09 0.00 -0.63 0.00 0.00 43.02 42.98 1x6g s PHE 36 CO 0.19 -0.77 0.83 1.03 -0.05 0.00 0.00 175.22 176.45 1x6g s ARG 37 N -3.39 2.19 -0.47 1.99 3.00 -1.26 0.18 118.95 121.20 1x6g s ARG 37 Ca 0.07 -1.35 -0.29 0.00 0.00 0.00 0.00 55.73 54.16 1x6g s ARG 37 Cb -0.02 -2.55 0.03 0.00 0.00 0.00 0.00 34.95 32.41 1x6g s ARG 37 CO -0.05 -0.96 1.14 0.21 0.00 0.00 0.00 175.30 175.64 1x6g s LYS 38 N -4.79 3.74 0.00 3.54 2.20 -1.22 -3.56 119.74 119.66 1x6g s LYS 38 Ca 0.62 0.60 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1x6g s LYS 38 Cb -0.07 -3.90 0.00 0.00 -1.51 0.00 0.00 37.83 32.35 1x6g s LYS 38 CO 0.40 -1.36 0.00 0.41 -0.36 0.00 0.00 175.35 174.44 1x6g n GLY 39 N 4.80 0.55 3.68 5.54 0.00 -1.16 -4.90 105.19 113.70 1x6g n GLY 39 Ca 0.12 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.45 5.27 0.02 1.61 1.01 -1.23 -4.89 116.67 117.00 1x6g s ASP 40 Ca 0.00 0.15 -0.17 0.00 0.71 0.00 0.00 52.55 53.24 1x6g s ASP 40 Cb 0.00 -1.51 -0.06 0.00 1.01 0.00 0.00 42.92 42.36 1x6g s ASP 40 CO 0.00 0.37 0.47 -0.69 0.21 0.00 0.00 175.17 175.53 1x6g s VAL 41 N -0.83 4.93 0.32 -1.27 1.01 -1.26 -3.55 120.40 119.75 1x6g s VAL 41 Ca 0.13 0.98 0.05 0.00 0.00 0.00 0.00 61.98 63.14 1x6g s VAL 41 Cb -0.11 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 1x6g s VAL 41 CO 0.02 0.56 0.30 0.68 0.00 0.00 0.00 175.10 176.66 1x6g s VAL 42 N -1.03 0.00 -0.08 2.92 -7.23 -0.97 -3.24 120.40 110.77 1x6g s VAL 42 Ca 0.26 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 1x6g s VAL 42 Cb -0.18 -2.52 0.02 0.00 0.56 0.00 0.00 36.38 34.27 1x6g s VAL 42 CO 0.15 0.00 -0.06 -0.89 -0.31 0.00 0.00 175.10 173.99 1x6g s THR 43 N -3.43 0.80 -0.39 5.32 2.01 -1.10 -3.29 115.64 115.55 1x6g s THR 43 Ca 0.39 -0.19 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 1x6g s THR 43 Cb 0.02 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 1x6g s THR 43 CO 0.26 0.31 2.23 -0.63 -0.69 0.00 0.00 174.62 176.10 1x6g s ILE 44 N 1.45 3.09 -0.04 1.82 -1.09 -0.02 -1.57 121.20 124.84 1x6g s ILE 44 Ca -0.01 0.07 -0.15 0.00 -2.23 0.00 0.00 60.65 58.33 1x6g s ILE 44 Cb -0.13 -3.17 -0.08 0.00 -1.58 0.00 0.00 42.46 37.50 1x6g s ILE 44 CO -0.04 -0.14 0.61 -0.07 -1.23 0.00 0.00 174.94 174.07 1x6g h LEU 45 N 17.16 -0.41 -9.42 2.97 3.38 -0.62 1.41 115.31 129.79 1x6g h LEU 45 Ca -0.31 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.08 1x6g h LEU 45 Cb 1.24 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 41.96 1x6g h LEU 45 CO 1.08 0.04 -0.50 -0.70 0.09 0.00 0.00 178.44 178.45 1x6g s GLU 46 N -3.22 1.94 0.38 1.13 2.56 -1.11 -4.64 118.70 115.75 1x6g s GLU 46 Ca -0.08 -2.19 -0.16 0.00 0.00 0.00 0.00 54.97 52.54 1x6g s GLU 46 Cb 0.01 -0.52 -0.09 0.00 2.00 0.00 0.00 34.13 35.53 1x6g s GLU 46 CO 0.24 -0.52 0.83 0.00 -0.56 0.00 0.00 175.26 175.25 1x6g s ALA 47 N -3.21 3.22 0.15 6.30 0.00 -1.26 -4.13 121.76 122.82 1x6g s ALA 47 Ca 0.24 0.14 -0.32 0.00 0.00 0.00 0.00 51.96 52.02 1x6g s ALA 47 Cb 0.02 -2.91 -0.17 0.00 0.00 0.00 0.00 23.12 20.06 1x6g s ALA 47 CO 0.16 0.19 0.79 0.00 0.00 0.00 0.00 175.76 176.89 1x6g n GLU 49 N 1.20 3.03 0.07 0.00 4.07 -1.25 -4.79 120.64 122.97 1x6g n GLU 49 Ca 0.17 -4.34 0.00 0.00 -0.06 0.00 0.00 57.16 52.94 1x6g n GLU 49 Cb 0.21 -2.09 0.00 0.00 -0.06 0.00 0.00 31.44 29.50 1x6g n GLU 49 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1x6g n ASN 50 N -0.38 -1.29 0.00 4.31 2.85 -1.26 -5.03 115.26 114.46 1x6g n ASN 50 Ca 0.34 0.49 0.00 0.00 -0.11 0.00 0.00 54.58 55.29 1x6g n ASN 50 Cb 0.66 1.45 0.00 0.00 1.24 0.00 0.00 39.78 43.13 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 -2.82 0.00 -2.49 1.20 4.76 -1.26 -4.97 118.16 112.57 1x6g n LYS 51 Ca 0.00 0.00 -0.25 0.00 -2.87 0.00 0.00 58.31 55.19 1x6g n LYS 51 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1x6g n LYS 51 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x6g n SER 52 N 0.00 4.34 -3.73 4.39 2.88 -1.26 -4.96 113.62 115.28 1x6g n SER 52 Ca 0.00 -3.60 -0.14 0.00 -1.33 0.00 0.00 58.87 53.80 1x6g n SER 52 Cb 0.00 -0.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.49 -0.23 0.01 0.66 0.52 -1.26 -1.74 118.94 113.40 1x6g s TRP 53 Ca 0.46 0.32 -0.01 0.00 0.02 0.00 0.00 56.10 56.88 1x6g s TRP 53 Cb 0.41 0.14 -0.01 0.00 -1.15 0.00 0.00 33.47 32.86 1x6g s TRP 53 CO -0.16 -0.44 0.01 0.71 0.02 0.00 0.00 176.95 177.09 1x6g s TYR 54 N -1.57 0.13 -0.38 -1.98 2.02 0.42 -3.87 117.35 112.12 1x6g s TYR 54 Ca -0.11 -0.27 -0.13 0.00 -0.37 0.00 0.00 57.07 56.18 1x6g s TYR 54 Cb -0.04 -0.10 0.01 0.00 -0.40 0.00 0.00 41.96 41.43 1x6g s TYR 54 CO 0.03 -0.14 0.26 0.50 -1.57 0.00 0.00 175.55 174.63 1x6g s ARG 55 N -0.95 3.04 0.43 -0.62 3.52 -1.26 0.16 118.95 123.27 1x6g s ARG 55 Ca -0.10 -0.96 0.03 0.00 -0.13 0.00 0.00 55.73 54.57 1x6g s ARG 55 Cb -0.06 -3.86 -0.03 0.00 -1.56 0.00 0.00 34.95 29.44 1x6g s ARG 55 CO -0.00 -0.67 0.07 0.14 -0.81 0.00 0.00 175.30 174.03 1x6g s VAL 56 N 1.65 0.99 -0.14 7.11 -7.23 -1.20 0.14 120.40 121.72 1x6g s VAL 56 Ca 0.04 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1x6g s VAL 56 Cb -0.19 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.35 1x6g s VAL 56 CO 0.09 0.00 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.96 1x6g s LYS 57 N -3.79 2.54 -0.01 4.82 2.20 -0.61 -3.35 119.74 121.54 1x6g s LYS 57 Ca 0.21 -0.67 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1x6g s LYS 57 Cb 0.04 -2.17 -0.06 0.00 -1.51 0.00 0.00 37.83 34.14 1x6g s LYS 57 CO 0.11 -0.12 1.46 -1.58 -0.36 0.00 0.00 175.35 174.87 1x6g s HIS 58 N 1.12 2.66 0.00 4.03 5.65 -0.17 -2.72 115.29 125.86 1x6g s HIS 58 Ca -0.02 0.67 0.00 0.00 0.25 0.00 0.00 55.06 55.96 1x6g s HIS 58 Cb -0.14 -3.73 0.00 0.00 -1.18 0.00 0.00 32.58 27.53 1x6g s HIS 58 CO -0.06 -2.79 0.60 1.58 -0.65 0.00 0.00 174.74 173.42 1x6g n HIS 59 N 5.75 0.00 -0.06 3.88 -0.00 -1.20 0.18 115.22 123.78 1x6g n HIS 59 Ca 0.14 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.24 1x6g n HIS 59 Cb 0.43 -0.10 -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 -0.16 3.57 2.02 -1.93 -2.21 112.91 114.21 1x6g h THR 60 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 1x6g h THR 60 Cb 0.00 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.34 1x6g h THR 60 CO 0.00 0.00 -0.42 0.28 0.37 0.00 0.00 175.52 175.75 1x6g h SER 61 N -0.28 -1.33 0.00 4.18 0.02 -1.97 -3.46 113.55 110.71 1x6g h SER 61 Ca 0.04 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1x6g h SER 61 Cb 0.38 0.55 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1x6g h SER 61 CO -0.33 -0.42 0.00 0.61 -1.14 0.00 0.00 176.83 175.55 1x6g n GLY 62 N -1.43 0.72 4.00 -3.77 0.00 0.49 -5.02 105.19 100.17 1x6g n GLY 62 Ca -0.04 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.53 0.50 -3.87 1.61 6.02 -1.22 -4.82 117.38 113.08 1x6g n GLN 63 Ca 0.00 -3.15 -0.20 0.00 -0.01 0.00 0.00 57.00 53.64 1x6g n GLN 63 Cb 0.00 -0.30 -0.17 0.00 1.02 0.00 0.00 30.24 30.79 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 -4.76 0.46 0.28 -1.09 2.02 -1.26 -1.00 118.70 113.35 1x6g s GLU 64 Ca 0.63 0.10 -0.06 0.00 0.02 0.00 0.00 54.97 55.66 1x6g s GLU 64 Cb -0.05 -0.75 -0.01 0.00 0.10 0.00 0.00 34.13 33.43 1x6g s GLU 64 CO 0.40 -0.22 0.42 0.20 0.02 0.00 0.00 175.26 176.08 1x6g s GLY 65 N 1.55 1.10 -0.03 -1.39 0.00 -1.21 -4.87 107.32 102.46 1x6g s GLY 65 Ca -0.02 -1.30 -0.25 0.00 0.00 0.00 0.00 44.72 43.15 1x6g s GLY 65 CO -0.03 -0.92 0.78 1.08 0.00 0.00 0.00 173.10 174.01 1x6g s LEU 66 N -3.14 4.35 0.07 0.66 1.43 -1.26 -3.27 118.68 117.52 1x6g s LEU 66 Ca 0.29 1.35 0.06 0.00 -1.03 0.00 0.00 54.13 54.80 1x6g s LEU 66 Cb 0.01 -3.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1x6g s LEU 66 CO 0.14 -0.13 -0.09 -0.76 0.23 0.00 0.00 176.35 175.74 1x6g s LEU 67 N 0.71 3.08 -0.04 1.79 1.43 0.42 -4.26 118.68 121.81 1x6g s LEU 67 Ca 0.41 -0.30 -0.30 0.00 -1.03 0.00 0.00 54.13 52.92 1x6g s LEU 67 Cb -0.19 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 1x6g s LEU 67 CO 0.21 0.22 1.20 0.00 0.23 0.00 0.00 176.35 178.21 1x6g s ALA 68 N -1.13 3.48 -0.11 4.21 0.00 -1.26 0.16 121.76 127.11 1x6g s ALA 68 Ca 0.20 0.65 0.27 0.00 0.00 0.00 0.00 51.96 53.07 1x6g s ALA 68 Cb -0.11 -3.51 1.34 0.00 0.00 0.00 0.00 23.12 20.85 1x6g s ALA 68 CO 0.11 -0.73 1.81 0.00 0.00 0.00 0.00 175.76 176.96 1x6g h ALA 69 N 7.39 1.00 -0.83 0.00 0.00 -1.62 -0.95 119.26 124.26 1x6g h ALA 69 Ca -0.35 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.05 1x6g h ALA 69 Cb 1.17 0.00 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 1x6g h ALA 69 CO 0.87 0.00 0.39 0.41 0.00 0.00 0.00 179.25 180.93 1x6g n GLY 70 N -0.85 5.29 0.79 0.00 0.00 -1.26 -4.19 105.19 104.98 1x6g n GLY 70 Ca -0.01 -1.73 -0.02 0.00 0.00 0.00 0.00 46.02 44.27 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 -1.01 2.64 -2.37 4.61 0.00 -0.36 -5.05 120.51 118.96 1x6g n ALA 71 Ca 0.53 -0.67 -0.18 0.00 0.00 0.00 0.00 53.44 53.12 1x6g n ALA 71 Cb 1.11 -0.28 -0.10 0.00 0.00 0.00 0.00 19.45 20.18 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 2.51 0.20 0.00 1.43 -1.23 -3.52 118.68 118.06 1x6g s LEU 72 Ca 0.04 -0.96 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 1x6g s LEU 72 Cb 0.05 -0.61 -0.04 0.00 0.03 0.00 0.00 46.19 45.62 1x6g s LEU 72 CO -0.02 -0.17 0.14 0.00 0.23 0.00 0.00 176.35 176.52 1x6g s ARG 73 N -3.35 1.20 -0.38 1.70 1.70 0.50 -4.86 118.95 115.46 1x6g s ARG 73 Ca 0.18 -1.61 -0.21 0.00 -0.47 0.00 0.00 55.73 53.62 1x6g s ARG 73 Cb -0.02 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.65 1x6g s ARG 73 CO 0.05 -0.39 0.64 -2.00 -1.08 0.00 0.00 175.30 172.52 1x6g s GLU 74 N -4.15 3.58 0.41 3.89 2.12 -1.26 -1.19 118.70 122.10 1x6g s GLU 74 Ca 0.38 -0.05 -0.24 0.00 0.36 0.00 0.00 54.97 55.42 1x6g s GLU 74 Cb 0.07 -3.85 -0.11 0.00 0.26 0.00 0.00 34.13 30.50 1x6g s GLU 74 CO 0.12 -0.81 0.91 -2.13 -0.54 0.00 0.00 175.26 172.80 1x6g n ARG 75 N 6.12 1.16 -3.78 4.30 0.63 -1.26 -4.91 116.66 118.92 1x6g n ARG 75 Ca -0.01 0.42 -0.13 0.00 -0.92 0.00 0.00 57.85 57.21 1x6g n ARG 75 Cb 0.48 -1.90 -0.09 0.00 0.45 0.00 0.00 32.46 31.41 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 -0.78 -0.14 0.77 6.15 0.01 -1.26 -5.05 113.70 113.40 1x6g s SER 76 Ca 0.63 -0.03 -0.14 0.00 1.31 0.00 0.00 55.95 57.72 1x6g s SER 76 Cb -0.58 0.30 0.06 0.00 0.21 0.00 0.00 66.02 66.01 1x6g s SER 76 CO 0.57 -0.47 1.23 -0.83 0.41 0.00 0.00 173.24 174.14 1x6g s GLY 77 N -1.51 2.31 1.10 3.44 0.00 -1.26 -5.01 107.32 106.39 1x6g s GLY 77 Ca -0.12 0.93 -0.18 0.00 0.00 0.00 0.00 44.72 45.35 1x6g s GLY 77 CO 0.02 1.35 1.23 2.56 0.00 0.00 0.00 173.10 178.26 1x6g s PRO 78 N -3.98 -0.45 0.06 2.90 0.04 -1.26 -4.83 135.00 127.48 1x6g s PRO 78 Ca 0.75 -0.32 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1x6g s PRO 78 Cb -0.31 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1x6g s PRO 78 CO 0.48 -3.16 0.00 0.43 0.04 0.00 0.00 177.00 174.80 1x6g n SER 79 N -4.31 -9.21 -3.65 6.66 7.64 -1.26 -5.06 113.62 104.42 1x6g n SER 79 Ca 0.15 1.77 -0.04 0.00 1.01 0.00 0.00 58.87 61.76 1x6g n SER 79 Cb 0.59 -5.12 -0.06 0.00 -1.01 0.00 0.00 64.21 58.62 1x6g n SER 79 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x6g s SER 80 N -0.57 -0.86 0.00 6.43 0.01 -1.26 -5.24 113.70 112.21 1x6g s SER 80 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1x6g s SER 80 Cb 0.00 1.96 0.00 0.00 0.21 0.00 0.00 66.02 68.19 1x6g s SER 80 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04