#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 -0.47 0.56 1.61 0.15 -1.26 -5.15 113.70 109.15 1x6g s SER 2 Ca 0.00 -0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1x6g s SER 2 Cb 0.00 0.54 0.00 0.00 -1.71 0.00 0.00 66.02 64.85 1x6g s SER 2 CO 0.00 -0.89 0.00 -1.20 1.20 0.00 0.00 173.24 172.35 1x6g n SER 3 N -0.35 -7.02 -0.65 5.45 7.64 -1.26 -5.06 113.62 112.37 1x6g n SER 3 Ca -0.13 1.33 0.00 0.00 1.01 0.00 0.00 58.87 61.08 1x6g n SER 3 Cb 0.63 -4.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 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 -4.04 -1.16 2.89 0.23 0.00 -1.26 -5.11 105.19 96.74 1x6g n GLY 4 Ca -0.08 -0.63 -0.21 0.00 0.00 0.00 0.00 46.02 45.10 1x6g n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x6g s SER 5 N 0.00 1.08 -0.26 1.61 1.04 -1.26 -4.94 113.70 110.97 1x6g s SER 5 Ca 0.00 -0.14 -0.19 0.00 0.48 0.00 0.00 55.95 56.11 1x6g s SER 5 Cb 0.00 -0.48 0.03 0.00 0.10 0.00 0.00 66.02 65.67 1x6g s SER 5 CO 0.00 -0.06 0.34 -1.54 0.98 0.00 0.00 173.24 172.96 1x6g n SER 6 N 4.16 -6.35 0.00 7.02 3.41 -1.26 -5.00 113.62 115.60 1x6g n SER 6 Ca -0.23 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.64 1x6g n SER 6 Cb 0.51 -2.26 0.00 0.00 -0.26 0.00 0.00 64.21 62.20 1x6g n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x6g n GLY 7 N 0.47 1.03 3.64 5.00 0.00 -1.26 -4.96 105.19 109.10 1x6g n GLY 7 Ca -0.03 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 0.85 4.10 0.00 1.61 3.00 -1.26 -4.28 118.95 122.98 1x6g s ARG 8 Ca 0.00 1.03 0.00 0.00 0.00 0.00 0.00 55.73 56.76 1x6g s ARG 8 Cb 0.00 -3.70 0.00 0.00 0.00 0.00 0.00 34.95 31.25 1x6g s ARG 8 CO 0.00 -0.75 0.00 -0.12 0.00 0.00 0.00 175.30 174.43 1x6g n MET 9 N 6.50 0.00 -2.31 3.54 1.56 -1.26 -5.07 117.12 120.08 1x6g n MET 9 Ca 0.10 0.00 -0.34 0.00 -0.27 0.00 0.00 57.70 57.18 1x6g n MET 9 Cb 0.47 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.80 1x6g n MET 9 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1x6g s PRO 10 N 0.00 3.08 0.12 2.12 0.04 -1.26 -4.96 135.00 134.13 1x6g s PRO 10 Ca 0.00 -0.67 -0.22 0.00 0.04 0.00 0.00 61.00 60.15 1x6g s PRO 10 Cb 0.00 -5.17 -0.07 0.00 0.04 0.00 0.00 34.50 29.30 1x6g s PRO 10 CO 0.00 -2.76 0.67 0.99 0.04 0.00 0.00 177.00 175.94 1x6g s THR 11 N 7.46 4.55 0.08 1.26 2.01 -1.26 -4.88 115.64 124.86 1x6g s THR 11 Ca 0.57 1.46 0.00 0.00 0.31 0.00 0.00 61.69 64.03 1x6g s THR 11 Cb -0.04 -4.02 0.00 0.00 0.01 0.00 0.00 72.50 68.46 1x6g s THR 11 CO -0.04 0.53 0.00 0.54 -0.69 0.00 0.00 174.62 174.96 1x6g n ARG 12 N 1.64 0.00 -4.56 4.92 1.74 -1.26 -5.15 116.66 113.99 1x6g n ARG 12 Ca -0.08 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.75 1x6g n ARG 12 Cb 0.50 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.83 1x6g n ARG 12 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1x6g s ARG 13 N -2.00 1.85 0.59 5.56 1.81 -1.26 -5.13 118.95 120.37 1x6g s ARG 13 Ca 0.00 -2.04 -0.16 0.00 -1.72 0.00 0.00 55.73 51.81 1x6g s ARG 13 Cb 0.00 -1.35 -0.03 0.00 -0.45 0.00 0.00 34.95 33.11 1x6g s ARG 13 CO 0.00 -0.10 1.08 -1.58 -0.68 0.00 0.00 175.30 174.02 1x6g s TRP 14 N -2.93 2.84 0.46 -0.53 0.51 -1.26 -5.06 118.94 112.98 1x6g s TRP 14 Ca 0.36 1.53 0.08 0.00 -2.12 0.00 0.00 56.10 55.95 1x6g s TRP 14 Cb 0.10 -3.10 0.01 0.00 -0.81 0.00 0.00 33.47 29.67 1x6g s TRP 14 CO 0.17 -1.31 0.46 0.00 -0.51 0.00 0.00 176.95 175.76 1x6g s ALA 15 N -2.28 4.28 -0.30 0.98 0.00 -1.26 -4.84 121.76 118.34 1x6g s ALA 15 Ca 0.66 -1.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1x6g s ALA 15 Cb -0.18 -1.10 -0.00 0.00 0.00 0.00 0.00 23.12 21.83 1x6g s ALA 15 CO 0.35 -0.36 1.35 -1.25 0.00 0.00 0.00 175.76 175.85 1x6g s PRO 16 N -4.26 3.86 0.00 0.00 0.04 -1.26 -2.75 135.00 130.63 1x6g s PRO 16 Ca 0.48 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.79 1x6g s PRO 16 Cb -0.04 -3.91 0.00 0.00 0.04 0.00 0.00 34.50 30.58 1x6g s PRO 16 CO 0.29 -1.19 0.00 0.41 0.04 0.00 0.00 177.00 176.55 1x6g n GLY 17 N 4.43 1.01 3.79 0.56 0.00 0.11 -4.94 105.19 110.15 1x6g n GLY 17 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.59 4.52 -0.31 2.61 2.01 -1.11 -4.75 115.64 117.01 1x6g s THR 18 Ca 0.00 1.53 -0.21 0.00 0.31 0.00 0.00 61.69 63.32 1x6g s THR 18 Cb 0.00 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.45 1x6g s THR 18 CO 0.00 0.53 0.66 -1.10 -0.69 0.00 0.00 174.62 174.02 1x6g s GLN 19 N -1.07 3.88 0.20 4.92 -0.21 -1.26 -2.15 119.66 123.96 1x6g s GLN 19 Ca 0.33 0.32 0.08 0.00 0.02 0.00 0.00 55.36 56.11 1x6g s GLN 19 Cb -0.22 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.01 1x6g s GLN 19 CO 0.23 -0.62 -0.00 0.00 -2.12 0.00 0.00 175.29 172.78 1x6g s ILE 21 N -1.85 2.70 0.50 0.00 -1.09 0.12 -2.65 121.20 118.94 1x6g s ILE 21 Ca 0.28 -1.72 -0.18 0.00 -2.23 0.00 0.00 60.65 56.80 1x6g s ILE 21 Cb -0.09 -2.27 -0.08 0.00 -1.58 0.00 0.00 42.46 38.44 1x6g s ILE 21 CO 0.19 -0.01 0.98 0.42 -1.23 0.00 0.00 174.94 175.29 1x6g s THR 22 N -1.40 4.45 -0.47 2.92 -4.23 -1.20 0.14 115.64 115.84 1x6g s THR 22 Ca 0.20 1.25 0.22 0.00 -1.18 0.00 0.00 61.69 62.18 1x6g s THR 22 Cb -0.09 -3.67 -0.28 0.00 1.34 0.00 0.00 72.50 69.80 1x6g s THR 22 CO 0.11 -0.59 0.69 0.29 -0.54 0.00 0.00 174.62 174.57 1x6g n LYS 23 N -1.39 0.36 -3.96 3.99 5.02 -0.96 -3.69 118.16 117.53 1x6g n LYS 23 Ca 0.07 -0.10 -0.15 0.00 -2.02 0.00 0.00 58.31 56.11 1x6g n LYS 23 Cb 0.54 -1.52 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.81 3.02 -0.26 0.00 -1.05 -1.26 -3.49 118.70 112.85 1x6g s GLU 25 Ca 0.29 -0.44 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 1x6g s GLU 25 Cb -0.01 -2.78 0.08 0.00 -0.44 0.00 0.00 34.13 30.98 1x6g s GLU 25 CO 0.21 0.65 0.01 -1.58 0.95 0.00 0.00 175.26 175.50 1x6g s HIS 26 N -0.73 2.12 -0.17 4.83 2.46 0.49 -4.88 115.29 119.40 1x6g s HIS 26 Ca 0.11 -1.73 0.03 0.00 0.47 0.00 0.00 55.06 53.94 1x6g s HIS 26 Cb -0.12 -1.67 -0.22 0.00 -0.13 0.00 0.00 32.58 30.44 1x6g s HIS 26 CO 0.02 -0.79 0.17 0.25 -2.47 0.00 0.00 174.74 171.92 1x6g n THR 27 N 4.74 1.60 -3.94 0.89 -2.24 -1.26 -0.09 114.28 113.99 1x6g n THR 27 Ca -0.07 -0.68 -0.30 0.00 -2.27 0.00 0.00 64.05 60.73 1x6g n THR 27 Cb 0.44 -1.34 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 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 -2.54 1.94 1.07 -0.78 3.00 -1.26 -4.86 118.95 115.52 1x6g s ARG 28 Ca -0.22 -2.59 -0.17 0.00 0.00 0.00 0.00 55.73 52.75 1x6g s ARG 28 Cb 0.08 -3.29 0.24 0.00 0.00 0.00 0.00 34.95 31.98 1x6g s ARG 28 CO 0.73 -1.11 1.21 -1.25 0.00 0.00 0.00 175.30 174.89 1x6g s PRO 29 N -0.24 -0.20 1.14 3.54 0.04 -1.26 -5.05 135.00 132.97 1x6g s PRO 29 Ca 0.17 -0.22 -0.17 0.00 0.04 0.00 0.00 61.00 60.82 1x6g s PRO 29 Cb -0.26 -1.73 0.26 0.00 0.04 0.00 0.00 34.50 32.81 1x6g s PRO 29 CO -0.00 -3.01 1.10 0.15 0.04 0.00 0.00 177.00 175.28 1x6g s LYS 30 N -5.64 -0.73 -0.99 4.56 1.02 -1.26 -4.86 119.74 111.85 1x6g s LYS 30 Ca 0.72 0.11 -0.23 0.00 0.02 0.00 0.00 55.97 56.59 1x6g s LYS 30 Cb -0.07 -1.64 0.00 0.00 -0.52 0.00 0.00 37.83 35.60 1x6g s LYS 30 CO 0.54 -3.42 1.70 -1.25 -0.92 0.00 0.00 175.35 172.01 1x6g s PRO 31 N -5.26 3.10 0.00 -1.68 0.04 -1.26 -1.94 135.00 128.01 1x6g s PRO 31 Ca 0.69 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.94 1x6g s PRO 31 Cb -0.13 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.18 1x6g s PRO 31 CO 0.57 -2.80 0.00 0.41 0.04 0.00 0.00 177.00 175.22 1x6g n GLY 32 N 6.77 0.95 3.99 0.56 0.00 -1.26 -5.12 105.19 111.08 1x6g n GLY 32 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.66 0.17 1.61 8.01 -0.82 -4.72 118.70 124.61 1x6g s GLU 33 Ca 0.00 -1.09 0.05 0.00 0.01 0.00 0.00 54.97 53.95 1x6g s GLU 33 Cb 0.00 -2.32 -0.04 0.00 -4.31 0.00 0.00 34.13 27.46 1x6g s GLU 33 CO 0.00 -1.47 0.12 -1.17 0.01 0.00 0.00 175.26 172.75 1x6g s LEU 34 N -5.16 3.75 0.18 1.80 2.96 -1.26 -4.76 118.68 116.18 1x6g s LEU 34 Ca 0.66 -0.16 0.06 0.00 -0.22 0.00 0.00 54.13 54.47 1x6g s LEU 34 Cb -0.05 -2.36 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1x6g s LEU 34 CO 0.44 0.07 0.13 0.00 -1.32 0.00 0.00 176.35 175.68 1x6g s ALA 35 N -1.76 3.54 -0.05 5.97 0.00 -1.26 -4.61 121.76 123.60 1x6g s ALA 35 Ca 0.31 -1.26 -0.31 0.00 0.00 0.00 0.00 51.96 50.70 1x6g s ALA 35 Cb -0.10 -1.32 0.11 0.00 0.00 0.00 0.00 23.12 21.81 1x6g s ALA 35 CO 0.23 0.47 1.03 -0.59 0.00 0.00 0.00 175.76 176.90 1x6g s PHE 36 N -1.81 -0.23 0.46 0.00 -0.12 0.88 -5.03 117.98 112.14 1x6g s PHE 36 Ca 0.31 0.10 0.07 0.00 -0.05 0.00 0.00 56.93 57.36 1x6g s PHE 36 Cb -0.10 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.84 1x6g s PHE 36 CO 0.23 -0.45 0.42 1.03 -0.05 0.00 0.00 175.22 176.40 1x6g s ARG 37 N -2.86 2.44 0.39 1.99 1.81 -1.26 0.18 118.95 121.65 1x6g s ARG 37 Ca 0.08 -1.66 -0.27 0.00 -1.72 0.00 0.00 55.73 52.16 1x6g s ARG 37 Cb -0.01 -2.33 -0.09 0.00 -0.45 0.00 0.00 34.95 32.07 1x6g s ARG 37 CO -0.06 -0.35 1.33 0.21 -0.68 0.00 0.00 175.30 175.75 1x6g s LYS 38 N -4.21 4.05 -1.02 3.54 2.20 -1.23 -3.13 119.74 119.95 1x6g s LYS 38 Ca 0.46 2.23 -0.00 0.00 -0.36 0.00 0.00 55.97 58.29 1x6g s LYS 38 Cb -0.03 -2.84 0.00 0.00 -1.51 0.00 0.00 37.83 33.45 1x6g s LYS 38 CO 0.27 -0.45 0.85 0.41 -0.36 0.00 0.00 175.35 176.07 1x6g n GLY 39 N 0.67 -0.24 3.85 5.54 0.00 -1.24 -4.97 105.19 108.79 1x6g n GLY 39 Ca 0.03 0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.09 6.18 -0.21 1.61 2.15 -1.18 -4.87 116.67 116.25 1x6g s ASP 40 Ca 0.03 0.39 -0.13 0.00 0.43 0.00 0.00 52.55 53.26 1x6g s ASP 40 Cb -0.01 -1.95 -0.04 0.00 -0.30 0.00 0.00 42.92 40.62 1x6g s ASP 40 CO 0.61 0.38 0.28 -0.69 -0.17 0.00 0.00 175.17 175.58 1x6g s VAL 41 N -1.06 5.28 0.28 1.11 1.01 -1.26 -3.26 120.40 122.51 1x6g s VAL 41 Ca 0.17 0.48 0.02 0.00 0.00 0.00 0.00 61.98 62.64 1x6g s VAL 41 Cb -0.12 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1x6g s VAL 41 CO 0.06 0.32 0.11 0.68 0.00 0.00 0.00 175.10 176.27 1x6g s VAL 42 N 1.01 0.57 -0.10 2.92 -7.23 -1.08 -3.05 120.40 113.43 1x6g s VAL 42 Ca 0.14 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.33 1x6g s VAL 42 Cb -0.14 -2.61 0.01 0.00 0.56 0.00 0.00 36.38 34.21 1x6g s VAL 42 CO 0.05 0.00 -0.15 -0.89 -0.31 0.00 0.00 175.10 173.81 1x6g s THR 43 N -3.65 1.44 -0.26 5.32 2.01 -0.86 -2.92 115.64 116.71 1x6g s THR 43 Ca 0.36 -0.61 -0.28 0.00 0.31 0.00 0.00 61.69 61.47 1x6g s THR 43 Cb 0.07 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 71.23 1x6g s THR 43 CO 0.15 0.43 2.09 -0.63 -0.69 0.00 0.00 174.62 175.96 1x6g s ILE 44 N 0.93 3.16 -0.08 1.82 -1.09 -0.91 -1.01 121.20 124.01 1x6g s ILE 44 Ca -0.08 0.16 -0.13 0.00 -2.23 0.00 0.00 60.65 58.37 1x6g s ILE 44 Cb -0.15 -3.22 -0.10 0.00 -1.58 0.00 0.00 42.46 37.41 1x6g s ILE 44 CO -0.00 -0.14 0.46 -0.07 -1.23 0.00 0.00 174.94 173.96 1x6g h LEU 45 N 14.74 -0.13 -7.41 2.97 3.38 -0.80 0.35 115.31 128.41 1x6g h LEU 45 Ca -0.38 -0.26 -0.23 0.00 0.09 0.00 0.00 57.88 57.10 1x6g h LEU 45 Cb 1.22 0.03 -0.31 0.00 0.09 0.00 0.00 40.66 41.69 1x6g h LEU 45 CO 0.99 0.46 -0.56 -1.61 0.09 0.00 0.00 178.44 177.81 1x6g s GLU 46 N -2.44 0.13 0.19 1.13 2.02 -1.12 -4.77 118.70 113.84 1x6g s GLU 46 Ca -0.08 0.41 -0.29 0.00 0.02 0.00 0.00 54.97 55.04 1x6g s GLU 46 Cb -0.00 -0.15 -0.08 0.00 0.10 0.00 0.00 34.13 33.99 1x6g s GLU 46 CO 0.28 -0.16 0.90 0.00 0.02 0.00 0.00 175.26 176.30 1x6g s ALA 47 N 1.16 3.34 0.00 5.21 0.00 -1.26 -3.81 121.76 126.40 1x6g s ALA 47 Ca -0.09 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.41 1x6g s ALA 47 Cb -0.11 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.85 1x6g s ALA 47 CO -0.06 0.16 0.00 0.00 0.00 0.00 0.00 175.76 175.86 1x6g n GLU 49 N -0.02 0.00 0.04 0.00 4.07 -1.26 -4.82 120.64 118.65 1x6g n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1x6g n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 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 -2.03 0.39 0.08 4.31 5.15 -1.26 -5.07 115.26 116.83 1x6g n ASN 50 Ca 0.00 0.12 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 1x6g n ASN 50 Cb 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.18 1x6g n ASN 50 CO 0.00 0.00 0.00 2.29 1.40 0.00 0.00 177.26 180.95 1x6g n LYS 51 N -3.18 0.00 -3.25 1.20 2.85 -1.26 -5.02 118.16 109.50 1x6g n LYS 51 Ca 0.00 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.01 1x6g n LYS 51 Cb 0.19 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.50 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1x6g n SER 52 N -2.83 1.85 -3.62 -5.58 7.64 -1.26 -5.03 113.62 104.79 1x6g n SER 52 Ca 0.00 -3.07 -0.11 0.00 1.01 0.00 0.00 58.87 56.70 1x6g n SER 52 Cb 0.00 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 62.52 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 -1.97 -0.24 -0.15 1.43 0.52 -1.26 -2.64 118.94 114.63 1x6g s TRP 53 Ca 0.39 -0.06 -0.08 0.00 0.02 0.00 0.00 56.10 56.37 1x6g s TRP 53 Cb 0.19 0.34 0.06 0.00 -1.15 0.00 0.00 33.47 32.91 1x6g s TRP 53 CO -0.08 -0.77 0.35 0.71 0.02 0.00 0.00 176.95 177.19 1x6g s TYR 54 N -3.81 -0.53 -0.50 -1.98 2.02 0.33 -4.35 117.35 108.54 1x6g s TYR 54 Ca 0.04 1.14 -0.22 0.00 -0.37 0.00 0.00 57.07 57.66 1x6g s TYR 54 Cb 0.01 0.19 0.04 0.00 -0.40 0.00 0.00 41.96 41.79 1x6g s TYR 54 CO -0.10 -0.32 0.80 0.50 -1.57 0.00 0.00 175.55 174.85 1x6g s ARG 55 N 1.50 3.30 0.46 -0.62 3.52 -1.25 0.99 118.95 126.86 1x6g s ARG 55 Ca -0.08 -0.36 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 1x6g s ARG 55 Cb -0.09 -4.02 -0.04 0.00 -1.56 0.00 0.00 34.95 29.24 1x6g s ARG 55 CO -0.11 -1.27 0.03 0.14 -0.81 0.00 0.00 175.30 173.28 1x6g s VAL 56 N 3.35 1.61 -0.15 7.11 -7.23 -1.09 -0.07 120.40 123.93 1x6g s VAL 56 Ca 0.26 -1.97 0.02 0.00 -1.81 0.00 0.00 61.98 58.48 1x6g s VAL 56 Cb -0.14 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.24 1x6g s VAL 56 CO 0.19 0.00 -0.20 -0.75 -0.31 0.00 0.00 175.10 174.03 1x6g s LYS 57 N -3.82 2.86 0.06 4.82 2.20 -0.18 -2.91 119.74 122.77 1x6g s LYS 57 Ca 0.22 -0.79 -0.31 0.00 -0.36 0.00 0.00 55.97 54.73 1x6g s LYS 57 Cb 0.05 -2.39 -0.06 0.00 -1.51 0.00 0.00 37.83 33.93 1x6g s LYS 57 CO 0.11 -0.10 1.19 -1.58 -0.36 0.00 0.00 175.35 174.61 1x6g s HIS 58 N 1.04 3.45 0.00 4.03 5.65 0.06 -2.03 115.29 127.49 1x6g s HIS 58 Ca -0.02 1.32 0.00 0.00 0.25 0.00 0.00 55.06 56.61 1x6g s HIS 58 Cb -0.14 -3.41 0.00 0.00 -1.18 0.00 0.00 32.58 27.85 1x6g s HIS 58 CO -0.06 -1.22 0.28 1.58 -0.65 0.00 0.00 174.74 174.67 1x6g n HIS 59 N 3.86 0.00 -0.25 3.88 -0.00 -1.17 0.13 115.22 121.67 1x6g n HIS 59 Ca 0.09 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 58.20 1x6g n HIS 59 Cb 0.46 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.27 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 -0.10 3.57 2.02 -1.94 -0.07 112.91 116.39 1x6g h THR 60 Ca 0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.22 1x6g h THR 60 Cb 0.00 0.00 -0.06 0.00 -1.74 0.00 0.00 68.15 66.35 1x6g h THR 60 CO 0.00 0.00 -0.38 0.28 0.37 0.00 0.00 175.52 175.79 1x6g h SER 61 N -0.00 -1.17 -0.09 4.18 0.02 -1.97 -3.46 113.55 111.05 1x6g h SER 61 Ca 0.10 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1x6g h SER 61 Cb 0.25 0.48 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1x6g h SER 61 CO -0.56 -0.41 0.00 0.61 -1.14 0.00 0.00 176.83 175.33 1x6g n GLY 62 N -1.43 0.69 3.71 -3.77 0.00 0.36 -5.03 105.19 99.72 1x6g n GLY 62 Ca -0.04 -0.72 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.55 2.12 -0.08 1.61 -0.21 -1.19 -4.88 119.66 113.47 1x6g s GLN 63 Ca 0.00 -2.11 0.01 0.00 0.02 0.00 0.00 55.36 53.28 1x6g s GLN 63 Cb 0.00 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.29 1x6g s GLN 63 CO 0.00 -0.20 -0.08 -1.21 -2.12 0.00 0.00 175.29 171.68 1x6g s GLU 64 N -3.85 1.44 0.33 2.91 2.02 -1.26 -0.76 118.70 119.52 1x6g s GLU 64 Ca 0.29 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.97 1x6g s GLU 64 Cb 0.05 -1.38 0.00 0.00 0.10 0.00 0.00 34.13 32.90 1x6g s GLU 64 CO 0.16 -0.14 0.47 0.20 0.02 0.00 0.00 175.26 175.96 1x6g s GLY 65 N 1.25 1.35 -0.18 -1.39 0.00 -1.15 -4.86 107.32 102.34 1x6g s GLY 65 Ca -0.04 -1.43 -0.19 0.00 0.00 0.00 0.00 44.72 43.06 1x6g s GLY 65 CO -0.03 -0.96 0.54 1.08 0.00 0.00 0.00 173.10 173.74 1x6g s LEU 66 N -3.20 4.17 0.12 0.66 1.43 -1.26 -2.66 118.68 117.94 1x6g s LEU 66 Ca 0.30 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 54.19 1x6g s LEU 66 Cb -0.00 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 1x6g s LEU 66 CO 0.18 -0.17 0.07 -0.76 0.23 0.00 0.00 176.35 175.91 1x6g s LEU 67 N 1.50 3.66 -0.13 1.79 1.43 0.28 -4.36 118.68 122.85 1x6g s LEU 67 Ca 0.26 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.92 1x6g s LEU 67 Cb -0.16 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1x6g s LEU 67 CO 0.10 0.13 1.10 0.00 0.23 0.00 0.00 176.35 177.90 1x6g s ALA 68 N -1.54 3.52 0.65 4.21 0.00 -1.26 0.12 121.76 127.47 1x6g s ALA 68 Ca 0.29 0.41 0.37 0.00 0.00 0.00 0.00 51.96 53.03 1x6g s ALA 68 Cb -0.11 -3.51 2.06 0.00 0.00 0.00 0.00 23.12 21.57 1x6g s ALA 68 CO 0.21 -0.82 2.20 0.00 0.00 0.00 0.00 175.76 177.36 1x6g h ALA 69 N 7.41 1.25 -0.99 0.00 0.00 -1.77 0.13 119.26 125.29 1x6g h ALA 69 Ca -0.29 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.03 1x6g h ALA 69 Cb 1.13 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.62 1x6g h ALA 69 CO 0.90 -0.14 0.76 0.41 0.00 0.00 0.00 179.25 181.19 1x6g n GLY 70 N -1.18 5.14 0.85 0.00 0.00 -1.26 -3.99 105.19 104.74 1x6g n GLY 70 Ca -0.02 -1.66 -0.01 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.03 2.63 -2.52 4.61 0.00 0.47 -4.99 120.51 119.68 1x6g n ALA 71 Ca 0.61 -0.85 -0.17 0.00 0.00 0.00 0.00 53.44 53.03 1x6g n ALA 71 Cb 1.19 -0.34 -0.11 0.00 0.00 0.00 0.00 19.45 20.19 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 2.39 0.24 0.00 1.43 -1.24 -2.26 118.68 119.25 1x6g s LEU 72 Ca 0.06 -0.78 -0.07 0.00 -1.03 0.00 0.00 54.13 52.31 1x6g s LEU 72 Cb 0.07 -0.46 -0.02 0.00 0.03 0.00 0.00 46.19 45.82 1x6g s LEU 72 CO -0.03 -0.18 0.34 0.00 0.23 0.00 0.00 176.35 176.72 1x6g s ARG 73 N -2.59 1.47 -0.42 1.70 1.04 0.37 -4.84 118.95 115.68 1x6g s ARG 73 Ca 0.06 -1.47 -0.22 0.00 -1.04 0.00 0.00 55.73 53.06 1x6g s ARG 73 Cb -0.05 0.39 0.02 0.00 -2.04 0.00 0.00 34.95 33.27 1x6g s ARG 73 CO 0.02 -0.57 0.71 -2.00 -0.04 0.00 0.00 175.30 173.42 1x6g s GLU 74 N -3.94 3.47 0.17 3.89 2.12 -1.26 0.16 118.70 123.31 1x6g s GLU 74 Ca 0.30 -0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.28 1x6g s GLU 74 Cb 0.02 -3.90 0.04 0.00 0.26 0.00 0.00 34.13 30.55 1x6g s GLU 74 CO 0.12 -0.97 1.44 -2.13 -0.54 0.00 0.00 175.26 173.18 1x6g n ARG 75 N 6.39 -0.34 -2.04 4.30 0.63 -1.25 -4.90 116.66 119.45 1x6g n ARG 75 Ca 0.00 1.42 0.00 0.00 -0.92 0.00 0.00 57.85 58.35 1x6g n ARG 75 Cb 0.48 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.30 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 -5.24 -8.92 -4.30 6.15 7.64 -1.26 -4.95 113.62 102.73 1x6g n SER 76 Ca 0.05 1.36 -0.29 0.00 1.01 0.00 0.00 58.87 61.00 1x6g n SER 76 Cb 0.29 -5.03 0.25 0.00 -1.01 0.00 0.00 64.21 58.71 1x6g n SER 76 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x6g s GLY 77 N -0.60 1.52 -0.08 0.23 0.00 -1.26 -4.98 107.32 102.15 1x6g s GLY 77 Ca 0.00 -0.35 -0.26 0.00 0.00 0.00 0.00 44.72 44.11 1x6g s GLY 77 CO 0.00 0.43 0.97 -0.56 0.00 0.00 0.00 173.10 173.94 1x6g h PRO 78 N -2.70 -0.02 -4.91 2.90 0.13 -2.04 -3.46 132.00 121.89 1x6g h PRO 78 Ca -0.58 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.21 1x6g h PRO 78 Cb 1.34 0.01 -0.22 0.00 0.13 0.00 0.00 31.00 32.26 1x6g h PRO 78 CO 0.47 0.68 -0.76 -1.54 -0.23 0.00 0.00 178.00 176.63 1x6g s SER 79 N -5.90 1.22 -0.73 1.44 1.04 -1.26 -5.10 113.70 104.40 1x6g s SER 79 Ca -0.17 -0.56 -0.16 0.00 0.48 0.00 0.00 55.95 55.55 1x6g s SER 79 Cb -0.01 -0.01 0.17 0.00 0.10 0.00 0.00 66.02 66.28 1x6g s SER 79 CO 0.64 -0.13 0.72 -0.94 0.98 0.00 0.00 173.24 174.51 1x6g s SER 80 N -1.58 6.53 0.00 7.02 1.04 -1.26 -5.23 113.70 120.21 1x6g s SER 80 Ca -0.06 -2.23 0.00 0.00 0.48 0.00 0.00 55.95 54.14 1x6g s SER 80 Cb -0.10 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1x6g s SER 80 CO 0.01 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.08