#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 0.00 -3.77 1.61 2.88 -1.26 -5.16 113.62 107.92 1x6g n SER 2 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1x6g n SER 2 Cb 0.00 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.29 1x6g n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x6g s SER 3 N 0.00 1.24 0.00 -3.46 1.04 -1.26 -5.07 113.70 106.19 1x6g s SER 3 Ca 0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 1x6g s SER 3 Cb 0.00 -0.35 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1x6g s SER 3 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.66 1x6g n GLY 4 N 4.89 0.12 2.70 7.32 0.00 -1.26 -4.99 105.19 113.97 1x6g n GLY 4 Ca -0.12 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 1x6g n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x6g s SER 5 N -4.00 1.09 -0.06 1.61 0.15 -1.26 -5.13 113.70 106.10 1x6g s SER 5 Ca 0.00 0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.77 1x6g s SER 5 Cb 0.00 -0.05 0.02 0.00 -1.71 0.00 0.00 66.02 64.28 1x6g s SER 5 CO 0.00 -0.25 -0.07 -0.55 1.20 0.00 0.00 173.24 173.57 1x6g s SER 6 N 2.20 1.34 0.00 5.45 0.15 -1.26 -5.14 113.70 116.43 1x6g s SER 6 Ca 0.05 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.50 1x6g s SER 6 Cb -0.12 -0.59 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 1x6g s SER 6 CO -0.04 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1x6g n GLY 7 N 4.13 4.07 2.74 9.45 0.00 -1.26 -5.01 105.19 119.30 1x6g n GLY 7 Ca -0.22 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.39 1x6g n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1x6g n ARG 8 N -0.08 2.63 0.04 1.61 0.00 -1.26 -4.63 116.66 114.98 1x6g n ARG 8 Ca 0.00 -3.17 -0.13 0.00 -0.00 0.00 0.00 57.85 54.56 1x6g n ARG 8 Cb 0.00 -2.22 -0.09 0.00 -0.00 0.00 0.00 32.46 30.15 1x6g n ARG 8 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.63 178.15 1x6g h MET 9 N 2.86 -0.12 -7.07 2.89 2.86 -2.03 -3.44 114.93 110.88 1x6g h MET 9 Ca 0.52 0.01 -0.47 0.00 -2.06 0.00 0.00 59.70 57.70 1x6g h MET 9 Cb 0.28 0.03 0.02 0.00 0.06 0.00 0.00 31.60 32.00 1x6g h MET 9 CO 1.30 0.27 0.39 -1.25 1.06 0.00 0.00 176.91 178.67 1x6g s PRO 10 N -4.47 3.82 -0.21 -0.22 0.04 -1.26 -5.03 135.00 127.66 1x6g s PRO 10 Ca -0.15 1.36 -0.12 0.00 0.04 0.00 0.00 61.00 62.14 1x6g s PRO 10 Cb 0.02 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.41 1x6g s PRO 10 CO 0.62 -0.42 0.20 0.99 0.04 0.00 0.00 177.00 178.43 1x6g s THR 11 N -1.97 5.35 0.10 1.26 2.01 -1.26 -5.02 115.64 116.09 1x6g s THR 11 Ca 0.67 0.31 -0.33 0.00 0.31 0.00 0.00 61.69 62.65 1x6g s THR 11 Cb -0.16 -3.54 -0.18 0.00 0.01 0.00 0.00 72.50 68.63 1x6g s THR 11 CO 0.20 0.37 0.77 -1.14 -0.69 0.00 0.00 174.62 174.13 1x6g n ARG 12 N 3.98 0.00 -3.48 4.92 0.63 -1.26 -4.96 116.66 116.49 1x6g n ARG 12 Ca -0.14 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.58 1x6g n ARG 12 Cb 0.52 -1.21 -0.02 0.00 0.45 0.00 0.00 32.46 32.20 1x6g n ARG 12 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1x6g n ARG 13 N 1.21 1.01 -1.86 -0.14 3.00 -1.26 -5.08 116.66 113.53 1x6g n ARG 13 Ca 0.18 -2.53 -0.41 0.00 -0.01 0.00 0.00 57.85 55.08 1x6g n ARG 13 Cb 0.16 0.46 -0.02 0.00 0.00 0.00 0.00 32.46 33.06 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 -2.10 2.80 0.66 -1.55 0.51 -1.26 -5.00 118.94 113.01 1x6g s TRP 14 Ca 0.12 0.94 -0.03 0.00 -2.12 0.00 0.00 56.10 55.02 1x6g s TRP 14 Cb -0.01 -3.98 0.07 0.00 -0.81 0.00 0.00 33.47 28.74 1x6g s TRP 14 CO 0.08 -3.18 0.93 0.00 -0.51 0.00 0.00 176.95 174.27 1x6g s ALA 15 N -0.26 3.54 -0.24 0.98 0.00 -1.26 -4.84 121.76 119.68 1x6g s ALA 15 Ca 0.60 -1.28 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1x6g s ALA 15 Cb -0.46 -2.26 -0.01 0.00 0.00 0.00 0.00 23.12 20.39 1x6g s ALA 15 CO 0.50 -1.16 1.32 -1.25 0.00 0.00 0.00 175.76 175.16 1x6g s PRO 16 N -5.06 4.02 0.00 0.00 0.04 -1.26 -2.77 135.00 129.98 1x6g s PRO 16 Ca 0.61 1.45 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1x6g s PRO 16 Cb -0.09 -3.85 0.00 0.00 0.04 0.00 0.00 34.50 30.60 1x6g s PRO 16 CO 0.42 -0.98 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1x6g n GLY 17 N 4.08 1.11 3.82 0.56 0.00 0.12 -4.94 105.19 109.94 1x6g n GLY 17 Ca 0.15 0.00 -0.35 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 -2.00 4.49 -0.34 2.61 2.01 -1.11 -4.70 115.64 116.59 1x6g s THR 18 Ca 0.00 1.35 -0.18 0.00 0.31 0.00 0.00 61.69 63.17 1x6g s THR 18 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 1x6g s THR 18 CO 0.00 0.01 0.50 -1.10 -0.69 0.00 0.00 174.62 173.34 1x6g s GLN 19 N -2.44 3.66 0.11 4.92 -0.21 -1.26 -1.56 119.66 122.89 1x6g s GLN 19 Ca 0.50 -0.13 0.07 0.00 0.02 0.00 0.00 55.36 55.82 1x6g s GLN 19 Cb -0.14 -3.79 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 1x6g s GLN 19 CO 0.19 -0.61 -0.08 0.00 -2.12 0.00 0.00 175.29 172.68 1x6g s ILE 21 N -1.27 2.96 0.02 0.00 -1.09 0.12 -2.63 121.20 119.30 1x6g s ILE 21 Ca 0.22 -1.62 -0.25 0.00 -2.23 0.00 0.00 60.65 56.77 1x6g s ILE 21 Cb -0.11 -2.41 -0.05 0.00 -1.58 0.00 0.00 42.46 38.31 1x6g s ILE 21 CO 0.15 -0.01 0.78 0.42 -1.23 0.00 0.00 174.94 175.05 1x6g s THR 22 N -1.45 4.79 -0.42 2.92 -4.23 -1.19 0.12 115.64 116.17 1x6g s THR 22 Ca 0.21 1.65 0.25 0.00 -1.18 0.00 0.00 61.69 62.62 1x6g s THR 22 Cb -0.10 -4.13 0.34 0.00 1.34 0.00 0.00 72.50 69.95 1x6g s THR 22 CO 0.12 0.32 1.68 0.11 -0.54 0.00 0.00 174.62 176.32 1x6g h LYS 23 N 5.96 0.00 -4.41 3.99 1.57 -1.84 -2.97 116.57 118.87 1x6g h LYS 23 Ca -0.43 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 57.99 1x6g h LYS 23 Cb 1.21 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.42 1x6g h LYS 23 CO 0.72 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 179.32 1x6g s GLU 25 N -3.09 2.97 -0.29 0.00 -1.05 -1.26 -3.80 118.70 112.18 1x6g s GLU 25 Ca 0.34 -0.43 0.03 0.00 -0.15 0.00 0.00 54.97 54.76 1x6g s GLU 25 Cb 0.00 -2.79 0.08 0.00 -0.44 0.00 0.00 34.13 30.98 1x6g s GLU 25 CO 0.24 0.69 -0.03 -1.58 0.95 0.00 0.00 175.26 175.52 1x6g s HIS 26 N -0.94 3.23 -0.16 4.83 2.46 0.40 -4.87 115.29 120.24 1x6g s HIS 26 Ca 0.15 -2.45 -0.08 0.00 0.47 0.00 0.00 55.06 53.14 1x6g s HIS 26 Cb -0.11 -2.21 -0.23 0.00 -0.13 0.00 0.00 32.58 29.89 1x6g s HIS 26 CO 0.04 -0.89 0.24 0.25 -2.47 0.00 0.00 174.74 171.91 1x6g n THR 27 N 4.43 1.70 -3.95 0.89 -2.24 -1.25 0.02 114.28 113.88 1x6g n THR 27 Ca -0.07 -0.53 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 1x6g n THR 27 Cb 0.42 -1.75 -0.14 0.00 -2.10 0.00 0.00 70.33 66.76 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 -2.52 1.89 0.98 -0.78 0.52 -1.26 -4.85 118.95 112.93 1x6g s ARG 28 Ca -0.26 -2.51 -0.14 0.00 -0.52 0.00 0.00 55.73 52.30 1x6g s ARG 28 Cb 0.07 -3.26 0.18 0.00 0.52 0.00 0.00 34.95 32.46 1x6g s ARG 28 CO 0.71 -1.09 1.17 -1.25 0.02 0.00 0.00 175.30 174.86 1x6g s PRO 29 N -0.13 0.56 1.13 3.54 0.04 -1.26 -5.02 135.00 133.86 1x6g s PRO 29 Ca 0.16 0.07 -0.17 0.00 0.04 0.00 0.00 61.00 61.10 1x6g s PRO 29 Cb -0.25 -1.79 0.18 0.00 0.04 0.00 0.00 34.50 32.68 1x6g s PRO 29 CO -0.01 -2.55 0.29 1.63 0.04 0.00 0.00 177.00 176.40 1x6g n LYS 30 N -3.96 -2.38 -2.32 4.56 5.02 -1.26 -4.74 118.16 113.07 1x6g n LYS 30 Ca 0.10 -0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 55.35 1x6g n LYS 30 Cb 0.59 -1.66 -0.04 0.00 -0.02 0.00 0.00 35.03 33.91 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 -3.72 3.14 0.00 1.97 0.04 -1.26 -2.10 135.00 133.07 1x6g s PRO 31 Ca 0.50 -1.01 0.00 0.00 0.04 0.00 0.00 61.00 60.53 1x6g s PRO 31 Cb -0.10 -5.28 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1x6g s PRO 31 CO 0.52 -2.89 0.00 0.41 0.04 0.00 0.00 177.00 175.08 1x6g n GLY 32 N 6.44 1.67 3.93 0.56 0.00 -1.26 -5.13 105.19 111.40 1x6g n GLY 32 Ca 0.40 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.06 2.43 0.23 1.61 0.41 -0.89 -4.92 118.70 117.51 1x6g s GLU 33 Ca 0.00 -1.67 -0.02 0.00 -0.41 0.00 0.00 54.97 52.88 1x6g s GLU 33 Cb 0.00 -2.39 -0.04 0.00 -1.78 0.00 0.00 34.13 29.92 1x6g s GLU 33 CO 0.00 -0.46 0.43 -1.17 -0.49 0.00 0.00 175.26 173.58 1x6g s LEU 34 N -4.30 4.18 0.27 1.80 2.96 -1.26 -4.77 118.68 117.56 1x6g s LEU 34 Ca 0.48 0.47 0.10 0.00 -0.22 0.00 0.00 54.13 54.95 1x6g s LEU 34 Cb -0.04 -3.25 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 1x6g s LEU 34 CO 0.29 -0.09 -0.03 0.00 -1.32 0.00 0.00 176.35 175.20 1x6g s ALA 35 N -1.93 3.11 0.12 5.97 0.00 -1.26 -4.55 121.76 123.21 1x6g s ALA 35 Ca 0.40 -1.71 -0.26 0.00 0.00 0.00 0.00 51.96 50.39 1x6g s ALA 35 Cb -0.11 -0.68 0.07 0.00 0.00 0.00 0.00 23.12 22.41 1x6g s ALA 35 CO 0.29 0.25 1.01 -0.59 0.00 0.00 0.00 175.76 176.72 1x6g s PHE 36 N -2.37 -0.13 0.46 0.00 -0.12 0.10 -5.01 117.98 110.93 1x6g s PHE 36 Ca 0.32 -0.14 0.07 0.00 -0.05 0.00 0.00 56.93 57.13 1x6g s PHE 36 Cb -0.06 0.62 -0.00 0.00 -0.63 0.00 0.00 43.02 42.95 1x6g s PHE 36 CO 0.19 -0.73 0.38 1.03 -0.05 0.00 0.00 175.22 176.05 1x6g s ARG 37 N -3.14 2.40 0.34 1.99 1.81 -1.26 0.15 118.95 121.23 1x6g s ARG 37 Ca 0.12 -1.72 -0.28 0.00 -1.72 0.00 0.00 55.73 52.12 1x6g s ARG 37 Cb -0.00 -2.26 -0.10 0.00 -0.45 0.00 0.00 34.95 32.14 1x6g s ARG 37 CO 0.01 -0.34 1.30 0.21 -0.68 0.00 0.00 175.30 175.79 1x6g s LYS 38 N -4.17 4.30 -0.81 3.54 2.20 -1.25 -3.21 119.74 120.34 1x6g s LYS 38 Ca 0.44 2.19 -0.01 0.00 -0.36 0.00 0.00 55.97 58.23 1x6g s LYS 38 Cb -0.02 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.28 1x6g s LYS 38 CO 0.26 -0.22 0.68 0.41 -0.36 0.00 0.00 175.35 176.12 1x6g n GLY 39 N 0.78 -0.08 3.88 5.54 0.00 -1.12 -4.97 105.19 109.22 1x6g n GLY 39 Ca 0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 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 -3.76 6.34 -0.12 1.61 2.15 -1.20 -4.87 116.67 116.82 1x6g s ASP 40 Ca 0.07 0.44 -0.13 0.00 0.43 0.00 0.00 52.55 53.36 1x6g s ASP 40 Cb -0.03 -2.03 -0.05 0.00 -0.30 0.00 0.00 42.92 40.51 1x6g s ASP 40 CO 0.48 0.38 0.30 -0.69 -0.17 0.00 0.00 175.17 175.47 1x6g s VAL 41 N -1.07 5.27 0.08 1.11 1.01 -1.26 -3.18 120.40 122.36 1x6g s VAL 41 Ca 0.17 0.56 -0.05 0.00 0.00 0.00 0.00 61.98 62.66 1x6g s VAL 41 Cb -0.12 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1x6g s VAL 41 CO 0.06 0.47 0.10 0.68 0.00 0.00 0.00 175.10 176.41 1x6g s VAL 42 N -0.13 0.17 -0.18 2.92 -7.23 -1.08 -2.76 120.40 112.10 1x6g s VAL 42 Ca 0.18 -1.50 -0.00 0.00 -1.81 0.00 0.00 61.98 58.85 1x6g s VAL 42 Cb -0.14 -1.49 0.01 0.00 0.56 0.00 0.00 36.38 35.32 1x6g s VAL 42 CO 0.06 -0.75 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.05 1x6g s THR 43 N -3.90 2.49 -0.52 5.32 2.01 -1.03 -2.39 115.64 117.62 1x6g s THR 43 Ca 0.08 -0.80 -0.28 0.00 0.31 0.00 0.00 61.69 61.00 1x6g s THR 43 Cb 0.06 -2.07 -0.09 0.00 0.01 0.00 0.00 72.50 70.41 1x6g s THR 43 CO -0.09 0.51 2.42 -0.38 -0.69 0.00 0.00 174.62 176.38 1x6g n ILE 44 N 4.48 0.00 0.36 1.82 2.08 -0.60 -1.84 119.36 125.66 1x6g n ILE 44 Ca -0.20 -0.61 -0.15 0.00 0.56 0.00 0.00 62.75 62.36 1x6g n ILE 44 Cb 0.51 -2.36 -0.07 0.00 -0.75 0.00 0.00 39.64 36.96 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 17.43 -0.79 -8.15 1.39 3.38 0.04 0.34 115.31 128.95 1x6g h LEU 45 Ca -0.24 0.01 -0.34 0.00 0.09 0.00 0.00 57.88 57.41 1x6g h LEU 45 Cb 1.28 0.20 -0.24 0.00 0.09 0.00 0.00 40.66 41.99 1x6g h LEU 45 CO 1.16 -0.42 -0.76 -0.70 0.09 0.00 0.00 178.44 177.81 1x6g s GLU 46 N -4.75 0.61 -0.30 1.13 2.12 -1.14 -4.71 118.70 111.66 1x6g s GLU 46 Ca -0.14 -0.61 -0.14 0.00 0.36 0.00 0.00 54.97 54.43 1x6g s GLU 46 Cb 0.02 -0.51 -0.03 0.00 0.26 0.00 0.00 34.13 33.87 1x6g s GLU 46 CO 0.44 0.12 0.34 0.00 -0.54 0.00 0.00 175.26 175.62 1x6g s ALA 47 N -0.90 3.53 -0.29 6.30 0.00 -1.26 -3.94 121.76 125.20 1x6g s ALA 47 Ca -0.04 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.76 1x6g s ALA 47 Cb -0.07 -2.71 0.15 0.00 0.00 0.00 0.00 23.12 20.49 1x6g s ALA 47 CO 0.01 -0.79 0.98 0.00 0.00 0.00 0.00 175.76 175.96 1x6g h GLU 49 N 6.39 -0.00 -3.18 0.00 5.08 -1.96 -3.41 114.58 117.50 1x6g h GLU 49 Ca -0.25 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.85 1x6g h GLU 49 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 1x6g h GLU 49 CO 0.17 -0.00 -0.31 0.09 -1.00 0.00 0.00 179.01 177.96 1x6g n ASN 50 N -5.47 -3.87 -2.70 1.42 4.13 -1.26 0.12 115.26 107.62 1x6g n ASN 50 Ca 0.09 0.22 -0.11 0.00 1.68 0.00 0.00 54.58 56.46 1x6g n ASN 50 Cb 0.36 -3.36 0.06 0.00 -1.54 0.00 0.00 39.78 35.30 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 -2.58 -3.32 -2.60 3.52 4.76 -1.26 -3.75 118.16 112.93 1x6g n LYS 51 Ca -0.15 0.60 -0.08 0.00 -2.87 0.00 0.00 58.31 55.81 1x6g n LYS 51 Cb 0.57 -4.71 0.04 0.00 -1.84 0.00 0.00 35.03 29.09 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x6g n SER 52 N -2.57 -2.48 -3.83 4.39 7.64 0.23 -4.97 113.62 112.03 1x6g n SER 52 Ca -0.14 -0.30 -0.12 0.00 1.01 0.00 0.00 58.87 59.32 1x6g n SER 52 Cb 0.60 -2.70 -0.10 0.00 -1.01 0.00 0.00 64.21 61.01 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 -3.17 -0.06 -0.02 1.43 0.52 0.32 -1.98 118.94 115.98 1x6g s TRP 53 Ca 0.05 0.06 -0.00 0.00 0.02 0.00 0.00 56.10 56.22 1x6g s TRP 53 Cb -0.01 0.01 0.02 0.00 -1.15 0.00 0.00 33.47 32.35 1x6g s TRP 53 CO 0.35 -0.31 0.03 0.71 0.02 0.00 0.00 176.95 177.75 1x6g s TYR 54 N -1.27 -0.01 -0.35 -1.98 2.02 0.10 -4.09 117.35 111.78 1x6g s TYR 54 Ca -0.13 0.13 -0.20 0.00 -0.37 0.00 0.00 57.07 56.49 1x6g s TYR 54 Cb -0.06 -0.13 -0.00 0.00 -0.40 0.00 0.00 41.96 41.37 1x6g s TYR 54 CO 0.02 -0.06 0.62 0.50 -1.57 0.00 0.00 175.55 175.06 1x6g s ARG 55 N 0.65 3.71 0.41 -0.62 3.52 -1.25 0.15 118.95 125.52 1x6g s ARG 55 Ca -0.05 0.07 0.03 0.00 -0.13 0.00 0.00 55.73 55.65 1x6g s ARG 55 Cb -0.08 -3.79 -0.03 0.00 -1.56 0.00 0.00 34.95 29.49 1x6g s ARG 55 CO -0.02 -0.69 0.09 0.14 -0.81 0.00 0.00 175.30 174.01 1x6g s VAL 56 N 2.65 0.85 -0.13 7.11 -7.23 -1.14 0.76 120.40 123.27 1x6g s VAL 56 Ca 0.24 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.42 1x6g s VAL 56 Cb -0.15 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.39 1x6g s VAL 56 CO 0.14 0.00 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.03 1x6g s LYS 57 N -3.78 2.26 -0.03 4.82 2.20 -0.77 -3.00 119.74 121.44 1x6g s LYS 57 Ca 0.24 -0.56 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 1x6g s LYS 57 Cb 0.04 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.32 1x6g s LYS 57 CO 0.13 -0.14 1.33 -1.58 -0.36 0.00 0.00 175.35 174.73 1x6g s HIS 58 N 1.22 2.94 0.00 4.03 5.65 -0.44 -2.46 115.29 126.23 1x6g s HIS 58 Ca -0.01 0.95 0.00 0.00 0.25 0.00 0.00 55.06 56.25 1x6g s HIS 58 Cb -0.14 -3.58 0.00 0.00 -1.18 0.00 0.00 32.58 27.68 1x6g s HIS 58 CO -0.06 -2.05 0.53 1.58 -0.65 0.00 0.00 174.74 174.10 1x6g n HIS 59 N 5.44 0.00 -0.21 3.88 -0.00 -1.11 0.19 115.22 123.40 1x6g n HIS 59 Ca 0.13 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.23 1x6g n HIS 59 Cb 0.45 -0.03 -0.06 0.00 -0.12 0.00 0.00 29.99 30.22 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 0.15 3.57 2.02 -1.93 -1.68 112.91 115.03 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 -0.04 0.00 -1.74 0.00 0.00 68.15 66.37 1x6g h THR 60 CO 0.00 0.00 -0.45 0.28 0.37 0.00 0.00 175.52 175.72 1x6g h SER 61 N -0.06 -1.35 0.00 4.18 0.02 -1.97 -3.46 113.55 110.91 1x6g h SER 61 Ca 0.08 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1x6g h SER 61 Cb 0.27 0.49 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1x6g h SER 61 CO -0.52 -0.49 0.00 0.61 -1.14 0.00 0.00 176.83 175.29 1x6g n GLY 62 N -1.43 0.86 4.03 -3.77 0.00 0.50 -5.04 105.19 100.35 1x6g n GLY 62 Ca -0.08 -0.09 -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 1.20 0.00 0.00 0.00 173.32 174.52 1x6g s GLN 63 N -0.67 2.22 -0.12 1.61 -0.21 -1.22 -4.84 119.66 116.44 1x6g s GLN 63 Ca 0.00 -1.59 -0.02 0.00 0.02 0.00 0.00 55.36 53.76 1x6g s GLN 63 Cb 0.00 -2.61 0.04 0.00 1.00 0.00 0.00 33.01 31.44 1x6g s GLN 63 CO 0.00 -0.94 0.03 -1.21 -2.12 0.00 0.00 175.29 171.04 1x6g s GLU 64 N -4.73 0.50 0.23 2.91 2.02 -1.26 -1.33 118.70 117.05 1x6g s GLU 64 Ca 0.63 -0.05 -0.05 0.00 0.02 0.00 0.00 54.97 55.52 1x6g s GLU 64 Cb -0.06 -1.37 -0.03 0.00 0.10 0.00 0.00 34.13 32.78 1x6g s GLU 64 CO 0.40 -0.45 0.27 0.20 0.02 0.00 0.00 175.26 175.70 1x6g s GLY 65 N 1.97 1.19 0.64 -1.39 0.00 -1.16 -4.94 107.32 103.62 1x6g s GLY 65 Ca 0.03 -1.44 -0.13 0.00 0.00 0.00 0.00 44.72 43.18 1x6g s GLY 65 CO -0.06 -1.12 1.05 1.08 0.00 0.00 0.00 173.10 174.05 1x6g s LEU 66 N -3.13 3.34 0.01 0.66 1.43 -1.26 -2.89 118.68 116.84 1x6g s LEU 66 Ca 0.33 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.14 1x6g s LEU 66 Cb 0.04 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.73 1x6g s LEU 66 CO 0.12 -1.25 -0.02 -0.22 0.23 0.00 0.00 176.35 175.21 1x6g s LEU 67 N -4.96 2.13 -0.03 1.79 0.20 0.12 -4.35 118.68 113.58 1x6g s LEU 67 Ca 0.61 -0.27 -0.30 0.00 0.69 0.00 0.00 54.13 54.86 1x6g s LEU 67 Cb -0.15 0.03 -0.05 0.00 -0.43 0.00 0.00 46.19 45.59 1x6g s LEU 67 CO 0.45 -0.15 1.53 0.00 -0.29 0.00 0.00 176.35 177.89 1x6g s ALA 68 N -0.77 3.62 0.53 5.97 0.00 -1.26 0.01 121.76 129.86 1x6g s ALA 68 Ca -0.08 0.90 0.19 0.00 0.00 0.00 0.00 51.96 52.97 1x6g s ALA 68 Cb -0.05 -3.68 1.33 0.00 0.00 0.00 0.00 23.12 20.72 1x6g s ALA 68 CO -0.00 -1.19 2.13 0.00 0.00 0.00 0.00 175.76 176.70 1x6g h ALA 69 N 8.70 2.06 -0.78 0.00 0.00 -1.70 -0.17 119.26 127.37 1x6g h ALA 69 Ca -0.38 -0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.05 1x6g h ALA 69 Cb 1.17 0.01 -0.23 0.00 0.00 0.00 0.00 17.79 18.74 1x6g h ALA 69 CO 0.94 -0.12 0.61 0.41 0.00 0.00 0.00 179.25 181.09 1x6g n GLY 70 N -1.54 4.62 0.92 0.00 0.00 -1.26 -3.82 105.19 104.11 1x6g n GLY 70 Ca -0.01 -1.39 -0.01 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.56 2.69 -2.68 4.61 0.00 -0.08 -5.03 120.51 119.47 1x6g n ALA 71 Ca 0.48 -1.01 -0.19 0.00 0.00 0.00 0.00 53.44 52.72 1x6g n ALA 71 Cb 0.97 -0.39 -0.13 0.00 0.00 0.00 0.00 19.45 19.90 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 2.20 0.25 0.00 1.43 -1.23 -2.70 118.68 118.62 1x6g s LEU 72 Ca 0.09 -0.50 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1x6g s LEU 72 Cb 0.10 -0.54 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1x6g s LEU 72 CO -0.04 -0.01 0.13 0.00 0.23 0.00 0.00 176.35 176.65 1x6g s ARG 73 N -1.31 1.37 -0.51 1.70 1.04 0.31 -4.85 118.95 116.71 1x6g s ARG 73 Ca -0.00 -1.75 -0.21 0.00 -1.04 0.00 0.00 55.73 52.73 1x6g s ARG 73 Cb -0.08 0.00 0.04 0.00 -2.04 0.00 0.00 34.95 32.87 1x6g s ARG 73 CO 0.01 -0.37 0.74 -2.00 -0.04 0.00 0.00 175.30 173.64 1x6g s GLU 74 N -4.02 3.23 0.39 3.89 2.12 -1.26 0.11 118.70 123.16 1x6g s GLU 74 Ca 0.38 -0.55 -0.20 0.00 0.36 0.00 0.00 54.97 54.96 1x6g s GLU 74 Cb 0.07 -4.05 -0.15 0.00 0.26 0.00 0.00 34.13 30.26 1x6g s GLU 74 CO 0.14 -1.27 0.07 -2.13 -0.54 0.00 0.00 175.26 171.53 1x6g n ARG 75 N 6.64 0.00 -2.93 4.30 0.63 -1.25 -3.56 116.66 120.49 1x6g n ARG 75 Ca -0.02 0.00 -0.03 0.00 -0.92 0.00 0.00 57.85 56.87 1x6g n ARG 75 Cb 0.47 -0.94 0.00 0.00 0.45 0.00 0.00 32.46 32.44 1x6g n ARG 75 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1x6g n SER 76 N 2.21 -7.72 -1.19 6.15 7.64 -1.26 -5.05 113.62 114.40 1x6g n SER 76 Ca 0.10 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1x6g n SER 76 Cb 0.38 -5.24 0.00 0.00 -1.01 0.00 0.00 64.21 58.34 1x6g n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x6g n GLY 77 N -1.13 1.53 3.55 0.23 0.00 -1.23 -5.00 105.19 103.14 1x6g n GLY 77 Ca 0.05 -2.02 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 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 0.28 2.92 0.17 1.61 0.04 -1.26 -4.95 135.00 133.81 1x6g s PRO 78 Ca 0.00 0.15 0.01 0.00 0.04 0.00 0.00 61.00 61.20 1x6g s PRO 78 Cb 0.00 -4.31 -0.05 0.00 0.04 0.00 0.00 34.50 30.18 1x6g s PRO 78 CO 0.00 -2.45 0.02 0.45 0.04 0.00 0.00 177.00 175.06 1x6g s SER 79 N 5.91 1.08 -0.12 6.66 0.15 -1.26 -5.15 113.70 120.97 1x6g s SER 79 Ca 0.51 -1.20 -0.04 0.00 0.70 0.00 0.00 55.95 55.93 1x6g s SER 79 Cb -0.10 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.41 1x6g s SER 79 CO 0.17 -0.60 0.08 -0.55 1.20 0.00 0.00 173.24 173.53 1x6g s SER 80 N -3.17 1.90 0.00 5.45 0.15 -1.26 -5.26 113.70 111.51 1x6g s SER 80 Ca 0.25 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.55 1x6g s SER 80 Cb 0.06 -0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.17 1x6g s SER 80 CO 0.04 -0.31 0.26 0.61 1.20 0.00 0.00 173.24 175.04