#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x6g h SER 2 N 0.00 -1.53 -5.58 1.61 0.87 -2.11 -3.47 113.55 103.34 1x6g h SER 2 Ca 0.00 0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1x6g h SER 2 Cb 0.00 0.61 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 1x6g h SER 2 CO 0.00 -0.45 -1.00 -1.20 -0.53 0.00 0.00 176.83 173.65 1x6g n SER 3 N -5.44 -6.40 0.00 6.23 7.64 -1.26 -4.74 113.62 109.66 1x6g n SER 3 Ca -0.05 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.91 1x6g n SER 3 Cb 0.37 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.71 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 1.21 1.81 3.75 0.23 0.00 -1.26 -5.11 105.19 105.82 1x6g n GLY 4 Ca -0.07 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 7.01 -0.30 1.61 0.01 -1.26 -5.01 113.70 115.76 1x6g s SER 5 Ca 0.00 2.38 0.01 0.00 1.31 0.00 0.00 55.95 59.64 1x6g s SER 5 Cb 0.00 -2.62 0.06 0.00 0.21 0.00 0.00 66.02 63.67 1x6g s SER 5 CO 0.00 -0.40 -0.02 -0.94 0.41 0.00 0.00 173.24 172.29 1x6g s SER 6 N -0.14 4.74 -0.95 2.44 1.04 -1.26 -5.05 113.70 114.52 1x6g s SER 6 Ca 0.51 -1.46 -0.15 0.00 0.48 0.00 0.00 55.95 55.33 1x6g s SER 6 Cb -0.35 -1.65 0.19 0.00 0.10 0.00 0.00 66.02 64.31 1x6g s SER 6 CO 0.41 -0.27 1.02 -0.83 0.98 0.00 0.00 173.24 174.55 1x6g s GLY 7 N 1.20 2.47 -0.03 7.32 0.00 -1.26 -4.98 107.32 112.04 1x6g s GLY 7 Ca -0.04 -3.22 0.01 0.00 0.00 0.00 0.00 44.72 41.48 1x6g s GLY 7 CO -0.03 1.61 -0.05 0.50 0.00 0.00 0.00 173.10 175.13 1x6g s ARG 8 N 0.97 0.78 0.05 2.90 0.52 -1.26 -5.15 118.95 117.76 1x6g s ARG 8 Ca 0.28 -0.16 0.02 0.00 -0.52 0.00 0.00 55.73 55.35 1x6g s ARG 8 Cb -0.07 -0.77 -0.03 0.00 0.52 0.00 0.00 34.95 34.60 1x6g s ARG 8 CO -0.08 -0.01 -0.08 -1.64 0.02 0.00 0.00 175.30 173.52 1x6g s MET 9 N 0.58 0.59 1.00 3.54 -1.94 -1.26 -5.16 119.30 116.65 1x6g s MET 9 Ca -0.08 -0.86 -0.17 0.00 -1.71 0.00 0.00 55.69 52.87 1x6g s MET 9 Cb -0.11 -0.29 0.24 0.00 2.01 0.00 0.00 34.83 36.67 1x6g s MET 9 CO 0.00 0.04 1.10 -0.35 -0.01 0.00 0.00 175.02 175.81 1x6g n PRO 10 N 1.20 -2.05 -3.76 2.03 -0.04 -1.26 -5.04 135.00 126.07 1x6g n PRO 10 Ca -0.21 -1.73 -0.29 0.00 -0.04 0.00 0.00 63.50 61.23 1x6g n PRO 10 Cb 0.56 -1.36 -0.12 0.00 -0.04 0.00 0.00 33.50 32.53 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 -3.23 1.93 0.19 0.52 2.01 -1.26 -5.09 115.64 110.71 1x6g s THR 11 Ca 0.67 -3.27 0.08 0.00 0.31 0.00 0.00 61.69 59.48 1x6g s THR 11 Cb -0.04 -2.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1x6g s THR 11 CO 0.49 -0.97 -0.15 -0.13 -0.69 0.00 0.00 174.62 173.17 1x6g s ARG 12 N -0.40 1.29 0.42 4.92 3.00 -1.26 -5.08 118.95 121.84 1x6g s ARG 12 Ca 0.22 -1.52 0.00 0.00 0.00 0.00 0.00 55.73 54.43 1x6g s ARG 12 Cb -0.14 -1.15 0.00 0.00 0.00 0.00 0.00 34.95 33.66 1x6g s ARG 12 CO -0.08 0.20 0.00 0.54 0.00 0.00 0.00 175.30 175.96 1x6g n ARG 13 N -0.15 -2.90 -1.19 3.54 3.00 -1.26 -4.77 116.66 112.93 1x6g n ARG 13 Ca -0.10 2.09 -0.33 0.00 -0.01 0.00 0.00 57.85 59.51 1x6g n ARG 13 Cb 0.59 -3.51 0.11 0.00 0.00 0.00 0.00 32.46 29.66 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 -2.93 2.01 0.48 -1.55 0.51 -1.26 -5.04 118.94 111.16 1x6g s TRP 14 Ca 0.00 1.66 0.06 0.00 -2.12 0.00 0.00 56.10 55.70 1x6g s TRP 14 Cb 0.00 -3.36 -0.00 0.00 -0.81 0.00 0.00 33.47 29.30 1x6g s TRP 14 CO 0.00 -2.52 0.31 0.00 -0.51 0.00 0.00 176.95 174.23 1x6g s ALA 15 N -2.34 4.10 -0.08 0.98 0.00 -1.26 -5.00 121.76 118.16 1x6g s ALA 15 Ca 0.70 -1.57 -0.30 0.00 0.00 0.00 0.00 51.96 50.79 1x6g s ALA 15 Cb -0.25 -0.64 -0.03 0.00 0.00 0.00 0.00 23.12 22.20 1x6g s ALA 15 CO 0.51 -0.30 1.23 -1.25 0.00 0.00 0.00 175.76 175.95 1x6g s PRO 16 N -4.12 4.31 0.00 0.00 0.04 -1.26 -2.81 135.00 131.16 1x6g s PRO 16 Ca 0.37 1.69 0.00 0.00 0.04 0.00 0.00 61.00 63.10 1x6g s PRO 16 Cb -0.00 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1x6g s PRO 16 CO 0.22 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.14 1x6g n GLY 17 N 3.46 0.94 3.80 0.56 0.00 0.17 -4.93 105.19 109.19 1x6g n GLY 17 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 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 4.10 -0.39 2.61 2.01 -1.12 -4.70 115.64 116.14 1x6g s THR 18 Ca 0.00 1.48 -0.17 0.00 0.31 0.00 0.00 61.69 63.31 1x6g s THR 18 Cb 0.00 -3.71 0.01 0.00 0.01 0.00 0.00 72.50 68.81 1x6g s THR 18 CO 0.00 -0.11 0.44 -1.10 -0.69 0.00 0.00 174.62 173.16 1x6g s GLN 19 N -2.73 3.29 0.08 4.92 -0.21 -1.26 -1.66 119.66 122.09 1x6g s GLN 19 Ca 0.59 -0.58 0.05 0.00 0.02 0.00 0.00 55.36 55.44 1x6g s GLN 19 Cb -0.16 -3.91 -0.04 0.00 1.00 0.00 0.00 33.01 29.91 1x6g s GLN 19 CO 0.20 -0.75 -0.03 0.00 -2.12 0.00 0.00 175.29 172.59 1x6g s ILE 21 N -1.25 3.50 -0.09 0.00 -1.09 0.53 -2.38 121.20 120.42 1x6g s ILE 21 Ca 0.24 -1.37 -0.23 0.00 -2.23 0.00 0.00 60.65 57.06 1x6g s ILE 21 Cb -0.11 -2.70 -0.03 0.00 -1.58 0.00 0.00 42.46 38.04 1x6g s ILE 21 CO 0.16 0.00 0.70 0.42 -1.23 0.00 0.00 174.94 174.99 1x6g s THR 22 N -1.48 5.03 -0.90 2.92 -4.23 -1.18 0.12 115.64 115.92 1x6g s THR 22 Ca 0.24 1.43 0.27 0.00 -1.18 0.00 0.00 61.69 62.46 1x6g s THR 22 Cb -0.10 -4.04 0.25 0.00 1.34 0.00 0.00 72.50 69.95 1x6g s THR 22 CO 0.16 0.21 1.85 0.29 -0.54 0.00 0.00 174.62 176.59 1x6g n LYS 23 N 4.08 0.09 -2.96 3.99 5.02 -0.62 -2.55 118.16 125.21 1x6g n LYS 23 Ca -0.01 0.10 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 1x6g n LYS 23 Cb 0.51 -1.61 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 -2.54 1.85 -0.25 0.00 1.03 -1.26 -3.50 118.70 114.03 1x6g s GLU 25 Ca 0.18 -1.08 -0.01 0.00 0.03 0.00 0.00 54.97 54.09 1x6g s GLU 25 Cb 0.00 -2.00 0.07 0.00 -0.80 0.00 0.00 34.13 31.40 1x6g s GLU 25 CO 0.12 0.52 0.02 -1.58 -1.33 0.00 0.00 175.26 173.01 1x6g s HIS 26 N -0.80 1.90 -0.16 4.83 2.46 0.17 -4.90 115.29 118.78 1x6g s HIS 26 Ca 0.12 -1.56 -0.09 0.00 0.47 0.00 0.00 55.06 54.00 1x6g s HIS 26 Cb -0.10 -1.53 -0.23 0.00 -0.13 0.00 0.00 32.58 30.59 1x6g s HIS 26 CO 0.02 -0.76 0.22 0.25 -2.47 0.00 0.00 174.74 171.99 1x6g n THR 27 N 4.80 1.68 -3.95 0.89 -2.24 -1.25 0.00 114.28 114.21 1x6g n THR 27 Ca -0.07 -0.50 -0.30 0.00 -2.27 0.00 0.00 64.05 60.90 1x6g n THR 27 Cb 0.44 -1.76 -0.14 0.00 -2.10 0.00 0.00 70.33 66.77 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 -2.51 1.89 1.10 -0.78 0.52 -1.26 -4.84 118.95 113.07 1x6g s ARG 28 Ca -0.26 -2.50 -0.18 0.00 -0.52 0.00 0.00 55.73 52.26 1x6g s ARG 28 Cb 0.07 -3.28 0.25 0.00 0.52 0.00 0.00 34.95 32.52 1x6g s ARG 28 CO 0.70 -1.09 1.23 -1.25 0.02 0.00 0.00 175.30 174.91 1x6g s PRO 29 N -0.11 -0.43 1.20 3.54 0.04 -1.26 -5.05 135.00 132.93 1x6g s PRO 29 Ca 0.16 -0.30 -0.18 0.00 0.04 0.00 0.00 61.00 60.72 1x6g s PRO 29 Cb -0.25 -1.71 0.28 0.00 0.04 0.00 0.00 34.50 32.86 1x6g s PRO 29 CO -0.01 -3.14 1.07 0.15 0.04 0.00 0.00 177.00 175.11 1x6g s LYS 30 N -5.70 -1.18 -0.88 4.56 1.02 -1.26 -4.87 119.74 111.44 1x6g s LYS 30 Ca 0.73 0.13 -0.25 0.00 0.02 0.00 0.00 55.97 56.60 1x6g s LYS 30 Cb -0.06 -1.58 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1x6g s LYS 30 CO 0.55 -3.72 1.65 -1.25 -0.92 0.00 0.00 175.35 171.66 1x6g s PRO 31 N -5.21 3.04 0.00 -1.68 0.04 -1.26 -2.27 135.00 127.67 1x6g s PRO 31 Ca 0.69 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1x6g s PRO 31 Cb -0.13 -4.95 0.00 0.00 0.04 0.00 0.00 34.50 29.46 1x6g s PRO 31 CO 0.57 -2.68 0.00 0.41 0.04 0.00 0.00 177.00 175.34 1x6g n GLY 32 N 6.49 1.79 3.66 0.56 0.00 -1.26 -5.13 105.19 111.30 1x6g n GLY 32 Ca 0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.03 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 2.04 0.17 1.61 2.02 -0.96 -4.79 118.70 118.71 1x6g s GLU 33 Ca 0.00 -2.11 0.01 0.00 0.02 0.00 0.00 54.97 52.89 1x6g s GLU 33 Cb 0.00 -1.69 -0.04 0.00 0.10 0.00 0.00 34.13 32.50 1x6g s GLU 33 CO 0.00 -0.12 0.33 -1.17 0.02 0.00 0.00 175.26 174.33 1x6g s LEU 34 N -3.78 4.29 0.09 1.80 2.96 -1.26 -4.79 118.68 118.00 1x6g s LEU 34 Ca 0.32 0.28 0.07 0.00 -0.22 0.00 0.00 54.13 54.58 1x6g s LEU 34 Cb 0.08 -3.03 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1x6g s LEU 34 CO 0.17 0.01 -0.13 0.00 -1.32 0.00 0.00 176.35 175.07 1x6g s ALA 35 N -1.80 2.83 0.33 5.97 0.00 -1.26 -4.62 121.76 123.21 1x6g s ALA 35 Ca 0.36 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.90 1x6g s ALA 35 Cb -0.11 -0.81 0.03 0.00 0.00 0.00 0.00 23.12 22.23 1x6g s ALA 35 CO 0.29 0.62 0.71 -0.59 0.00 0.00 0.00 175.76 176.78 1x6g s PHE 36 N -1.15 0.10 0.45 0.00 -0.12 0.10 -5.02 117.98 112.34 1x6g s PHE 36 Ca 0.19 -0.63 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 1x6g s PHE 36 Cb -0.11 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.91 1x6g s PHE 36 CO 0.11 -1.36 0.17 1.03 -0.05 0.00 0.00 175.22 175.12 1x6g s ARG 37 N -3.14 2.19 0.57 1.99 1.81 -1.26 0.45 118.95 121.57 1x6g s ARG 37 Ca 0.16 -1.99 -0.20 0.00 -1.72 0.00 0.00 55.73 51.98 1x6g s ARG 37 Cb -0.05 -1.89 -0.04 0.00 -0.45 0.00 0.00 34.95 32.52 1x6g s ARG 37 CO 0.10 -0.22 1.26 0.21 -0.68 0.00 0.00 175.30 175.97 1x6g s LYS 38 N -3.93 3.04 -1.30 3.54 2.20 -1.23 -3.06 119.74 118.99 1x6g s LYS 38 Ca 0.34 1.98 -0.04 0.00 -0.36 0.00 0.00 55.97 57.89 1x6g s LYS 38 Cb 0.03 -2.06 0.01 0.00 -1.51 0.00 0.00 37.83 34.30 1x6g s LYS 38 CO 0.19 -1.19 0.95 0.41 -0.36 0.00 0.00 175.35 175.35 1x6g n GLY 39 N 0.63 -0.40 3.88 5.54 0.00 -1.06 -4.96 105.19 108.83 1x6g n GLY 39 Ca 0.12 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.02 6.38 -0.18 1.61 2.15 -1.17 -4.87 116.67 116.57 1x6g s ASP 40 Ca 0.21 0.46 -0.15 0.00 0.43 0.00 0.00 52.55 53.50 1x6g s ASP 40 Cb -0.10 -2.06 -0.04 0.00 -0.30 0.00 0.00 42.92 40.42 1x6g s ASP 40 CO 0.77 0.41 0.35 -0.69 -0.17 0.00 0.00 175.17 175.83 1x6g s VAL 41 N -1.01 5.25 0.06 1.11 1.01 -1.26 -3.11 120.40 122.45 1x6g s VAL 41 Ca 0.15 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.77 1x6g s VAL 41 Cb -0.12 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1x6g s VAL 41 CO 0.04 0.32 -0.05 0.68 0.00 0.00 0.00 175.10 176.09 1x6g s VAL 42 N 0.87 0.41 -0.19 2.92 -7.23 -1.00 -2.75 120.40 113.43 1x6g s VAL 42 Ca 0.18 -1.54 -0.02 0.00 -1.81 0.00 0.00 61.98 58.79 1x6g s VAL 42 Cb -0.14 -1.16 -0.00 0.00 0.56 0.00 0.00 36.38 35.64 1x6g s VAL 42 CO 0.06 -0.75 -0.10 -0.89 -0.31 0.00 0.00 175.10 173.12 1x6g s THR 43 N -2.87 3.00 -0.27 5.32 2.01 -0.52 -1.89 115.64 120.43 1x6g s THR 43 Ca 0.01 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.08 1x6g s THR 43 Cb 0.00 -2.33 -0.07 0.00 0.01 0.00 0.00 72.50 70.12 1x6g s THR 43 CO -0.05 0.47 2.22 -0.38 -0.69 0.00 0.00 174.62 176.20 1x6g n ILE 44 N 4.49 0.28 -0.01 1.82 2.08 -0.67 -0.70 119.36 126.66 1x6g n ILE 44 Ca -0.19 -0.41 -0.11 0.00 0.56 0.00 0.00 62.75 62.60 1x6g n ILE 44 Cb 0.51 -2.29 -0.09 0.00 -0.75 0.00 0.00 39.64 37.02 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 14.39 -0.08 -8.55 1.39 3.38 0.55 0.48 115.31 126.87 1x6g h LEU 45 Ca -0.36 -0.55 -0.30 0.00 0.09 0.00 0.00 57.88 56.76 1x6g h LEU 45 Cb 1.27 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.96 1x6g h LEU 45 CO 0.98 0.61 -0.18 -1.61 0.09 0.00 0.00 178.44 178.33 1x6g s GLU 46 N -2.93 1.98 0.54 1.13 2.02 -1.10 -4.77 118.70 115.57 1x6g s GLU 46 Ca -0.14 -1.82 -0.14 0.00 0.02 0.00 0.00 54.97 52.90 1x6g s GLU 46 Cb -0.01 0.45 -0.06 0.00 0.10 0.00 0.00 34.13 34.61 1x6g s GLU 46 CO 0.52 -0.83 0.97 0.00 0.02 0.00 0.00 175.26 175.95 1x6g s ALA 47 N -2.91 3.12 0.33 5.21 0.00 -1.26 -3.96 121.76 122.28 1x6g s ALA 47 Ca 0.31 0.03 -0.24 0.00 0.00 0.00 0.00 51.96 52.05 1x6g s ALA 47 Cb -0.01 -3.04 -0.15 0.00 0.00 0.00 0.00 23.12 19.92 1x6g s ALA 47 CO 0.22 -0.37 0.41 0.00 0.00 0.00 0.00 175.76 176.02 1x6g n GLU 49 N 1.01 1.17 0.00 0.00 2.13 -1.26 -4.98 120.64 118.70 1x6g n GLU 49 Ca 0.14 -2.48 0.00 0.00 0.66 0.00 0.00 57.16 55.48 1x6g n GLU 49 Cb 0.34 -0.62 0.00 0.00 0.27 0.00 0.00 31.44 31.43 1x6g n GLU 49 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1x6g n ASN 50 N -0.32 0.00 0.00 4.31 4.13 -1.26 -5.09 115.26 117.03 1x6g n ASN 50 Ca 0.03 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.29 1x6g n ASN 50 Cb 0.83 0.26 0.00 0.00 -1.54 0.00 0.00 39.78 39.33 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 -1.80 0.00 -2.66 3.52 5.02 -1.26 -5.01 118.16 115.97 1x6g n LYS 51 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.20 1x6g n LYS 51 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 35.03 35.04 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 -1.53 1.46 -4.45 4.39 2.88 -1.26 -5.07 113.62 110.04 1x6g n SER 52 Ca 0.00 -2.71 -0.22 0.00 -1.33 0.00 0.00 58.87 54.61 1x6g n SER 52 Cb 0.00 -0.53 -0.11 0.00 -0.75 0.00 0.00 64.21 62.83 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 -3.13 2.00 -0.03 0.66 0.52 -1.26 -1.13 118.94 116.57 1x6g s TRP 53 Ca 0.27 -0.84 -0.00 0.00 0.02 0.00 0.00 56.10 55.55 1x6g s TRP 53 Cb 0.46 -1.26 0.03 0.00 -1.15 0.00 0.00 33.47 31.55 1x6g s TRP 53 CO 0.04 0.14 0.02 0.71 0.02 0.00 0.00 176.95 177.88 1x6g s TYR 54 N -3.14 0.22 -0.41 -1.98 1.51 0.79 -4.00 117.35 110.34 1x6g s TYR 54 Ca 0.34 0.07 -0.29 0.00 -1.01 0.00 0.00 57.07 56.17 1x6g s TYR 54 Cb 0.07 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.53 1x6g s TYR 54 CO 0.14 -0.15 1.24 0.50 -1.11 0.00 0.00 175.55 176.18 1x6g s ARG 55 N 1.33 3.75 0.37 -0.62 3.52 -1.25 -0.40 118.95 125.65 1x6g s ARG 55 Ca -0.06 0.85 0.05 0.00 -0.13 0.00 0.00 55.73 56.44 1x6g s ARG 55 Cb -0.13 -3.92 -0.06 0.00 -1.56 0.00 0.00 34.95 29.28 1x6g s ARG 55 CO -0.03 -1.34 0.04 0.14 -0.81 0.00 0.00 175.30 173.30 1x6g s VAL 56 N 4.65 1.46 -0.14 7.11 -7.23 -1.15 0.11 120.40 125.22 1x6g s VAL 56 Ca 0.53 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1x6g s VAL 56 Cb -0.11 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.04 1x6g s VAL 56 CO 0.29 0.00 -0.17 -0.75 -0.31 0.00 0.00 175.10 174.15 1x6g s LYS 57 N -3.81 2.55 -0.17 4.82 2.36 0.12 -3.25 119.74 122.36 1x6g s LYS 57 Ca 0.33 -0.67 -0.29 0.00 -2.55 0.00 0.00 55.97 52.79 1x6g s LYS 57 Cb 0.08 -2.18 -0.02 0.00 -1.05 0.00 0.00 37.83 34.66 1x6g s LYS 57 CO 0.16 -0.12 1.37 -1.58 1.55 0.00 0.00 175.35 176.72 1x6g s HIS 58 N 1.13 2.61 0.00 4.03 5.65 -1.08 -1.44 115.29 126.19 1x6g s HIS 58 Ca -0.02 0.80 -0.02 0.00 0.25 0.00 0.00 55.06 56.08 1x6g s HIS 58 Cb -0.14 -3.67 -0.01 0.00 -1.18 0.00 0.00 32.58 27.58 1x6g s HIS 58 CO -0.06 -2.19 1.03 1.25 -0.65 0.00 0.00 174.74 174.12 1x6g h HIS 59 N 8.80 -0.07 -0.09 3.88 2.76 -1.87 1.27 115.15 129.83 1x6g h HIS 59 Ca -0.29 -0.00 0.02 0.00 -2.20 0.00 0.00 60.37 57.90 1x6g h HIS 59 Cb 1.12 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 30.06 1x6g h HIS 59 CO 0.84 -0.04 -0.35 1.15 -1.30 0.00 0.00 177.93 178.23 1x6g h THR 60 N -0.06 0.00 0.00 6.26 2.02 -1.92 -3.21 112.91 115.99 1x6g h THR 60 Ca -0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.17 1x6g h THR 60 Cb 0.05 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1x6g h THR 60 CO 0.00 0.00 0.00 -0.24 0.37 0.00 0.00 175.52 175.65 1x6g n SER 61 N -4.38 0.00 0.00 4.18 2.88 -1.23 -4.95 113.62 110.11 1x6g n SER 61 Ca -0.04 0.72 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1x6g n SER 61 Cb 0.24 -0.22 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1x6g n SER 61 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x6g n GLY 62 N -0.79 1.41 3.65 0.46 0.00 0.44 -5.03 105.19 105.32 1x6g n GLY 62 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.85 -0.10 -3.58 1.61 1.13 -1.25 -4.84 117.38 109.50 1x6g n GLN 63 Ca 0.00 -2.54 -0.24 0.00 -1.94 0.00 0.00 57.00 52.27 1x6g n GLN 63 Cb 0.00 -0.64 -0.16 0.00 0.11 0.00 0.00 30.24 29.55 1x6g n GLN 63 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1x6g s GLU 64 N -4.96 0.09 0.15 -1.09 2.02 -1.26 -2.65 118.70 111.00 1x6g s GLU 64 Ca 0.62 -0.03 -0.11 0.00 0.02 0.00 0.00 54.97 55.48 1x6g s GLU 64 Cb -0.03 -1.69 0.01 0.00 0.10 0.00 0.00 34.13 32.51 1x6g s GLU 64 CO 0.41 -0.67 0.33 0.20 0.02 0.00 0.00 175.26 175.55 1x6g s GLY 65 N 2.18 0.20 0.87 -1.39 0.00 -1.20 -4.88 107.32 103.09 1x6g s GLY 65 Ca 0.03 -0.60 -0.10 0.00 0.00 0.00 0.00 44.72 44.05 1x6g s GLY 65 CO -0.10 -0.65 1.12 1.08 0.00 0.00 0.00 173.10 174.55 1x6g s LEU 66 N -2.91 2.82 -0.04 0.66 2.01 -1.26 -2.95 118.68 117.02 1x6g s LEU 66 Ca 0.11 1.99 -0.02 0.00 0.01 0.00 0.00 54.13 56.23 1x6g s LEU 66 Cb 0.03 -4.48 0.02 0.00 0.01 0.00 0.00 46.19 41.77 1x6g s LEU 66 CO -0.04 -2.71 0.09 -0.22 1.01 0.00 0.00 176.35 174.48 1x6g s LEU 67 N -6.35 1.25 -0.27 1.79 0.20 0.47 -4.12 118.68 111.64 1x6g s LEU 67 Ca 0.64 0.17 -0.38 0.00 0.69 0.00 0.00 54.13 55.26 1x6g s LEU 67 Cb -0.20 0.21 -0.14 0.00 -0.43 0.00 0.00 46.19 45.63 1x6g s LEU 67 CO 0.57 -0.09 1.92 0.00 -0.29 0.00 0.00 176.35 178.47 1x6g n ALA 68 N 3.68 0.42 0.13 5.97 0.00 -1.26 -0.15 120.51 129.30 1x6g n ALA 68 Ca -0.20 0.22 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1x6g n ALA 68 Cb 0.55 -2.37 0.53 0.00 0.00 0.00 0.00 19.45 18.16 1x6g n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x6g h ALA 69 N 9.27 1.85 -0.72 0.00 0.00 -1.42 -1.22 119.26 127.01 1x6g h ALA 69 Ca -0.40 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.01 1x6g h ALA 69 Cb 1.31 -0.08 -0.21 0.00 0.00 0.00 0.00 17.79 18.81 1x6g h ALA 69 CO 0.98 0.14 0.62 0.41 0.00 0.00 0.00 179.25 181.40 1x6g n GLY 70 N -1.48 4.80 0.77 0.00 0.00 -1.26 -3.74 105.19 104.27 1x6g n GLY 70 Ca -0.00 -1.56 -0.01 0.00 0.00 0.00 0.00 46.02 44.45 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 2.52 -2.44 4.61 0.00 -0.46 -5.01 120.51 119.42 1x6g n ALA 71 Ca 0.45 -0.70 -0.26 0.00 0.00 0.00 0.00 53.44 52.93 1x6g n ALA 71 Cb 0.71 -0.29 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 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 2.37 0.24 0.00 1.43 -1.24 -1.59 118.68 119.89 1x6g s LEU 72 Ca 0.05 -0.79 -0.07 0.00 -1.03 0.00 0.00 54.13 52.29 1x6g s LEU 72 Cb 0.05 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.18 1x6g s LEU 72 CO -0.02 0.10 0.34 0.00 0.23 0.00 0.00 176.35 177.00 1x6g s ARG 73 N -2.34 1.46 -0.51 1.70 1.04 0.12 -4.84 118.95 115.58 1x6g s ARG 73 Ca 0.15 -1.47 -0.23 0.00 -1.04 0.00 0.00 55.73 53.15 1x6g s ARG 73 Cb -0.09 0.39 0.04 0.00 -2.04 0.00 0.00 34.95 33.25 1x6g s ARG 73 CO 0.07 -0.56 0.82 -2.00 -0.04 0.00 0.00 175.30 173.59 1x6g s GLU 74 N -3.96 3.31 -0.43 3.89 2.12 -1.26 -0.35 118.70 122.02 1x6g s GLU 74 Ca 0.30 -0.35 -0.44 0.00 0.36 0.00 0.00 54.97 54.84 1x6g s GLU 74 Cb 0.02 -4.03 -0.18 0.00 0.26 0.00 0.00 34.13 30.20 1x6g s GLU 74 CO 0.12 -1.32 1.74 -2.13 -0.54 0.00 0.00 175.26 173.13 1x6g n ARG 75 N 6.96 0.37 -3.86 4.30 0.63 -1.24 -4.91 116.66 118.91 1x6g n ARG 75 Ca 0.00 0.13 -0.30 0.00 -0.92 0.00 0.00 57.85 56.76 1x6g n ARG 75 Cb 0.47 -1.71 -0.15 0.00 0.45 0.00 0.00 32.46 31.52 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 3.73 4.11 0.00 6.15 1.04 -1.26 -5.06 113.70 122.41 1x6g s SER 76 Ca 1.05 -1.61 0.00 0.00 0.48 0.00 0.00 55.95 55.87 1x6g s SER 76 Cb -1.35 -1.13 0.00 0.00 0.10 0.00 0.00 66.02 63.64 1x6g s SER 76 CO 0.74 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.22 1x6g n GLY 77 N 4.66 1.61 0.13 7.32 0.00 -1.26 -4.83 105.19 112.82 1x6g n GLY 77 Ca -0.03 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 1x6g n GLY 77 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x6g h PRO 78 N 0.00 -0.19 -0.47 1.61 0.13 -2.03 -3.46 132.00 127.59 1x6g h PRO 78 Ca 0.00 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.19 1x6g h PRO 78 Cb 0.00 0.04 -0.17 0.00 0.13 0.00 0.00 31.00 31.00 1x6g h PRO 78 CO 0.00 0.19 -0.23 0.45 -0.23 0.00 0.00 178.00 178.18 1x6g s SER 79 N -5.50 -0.71 0.54 1.44 0.15 -1.26 -5.13 113.70 103.23 1x6g s SER 79 Ca -0.10 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.09 1x6g s SER 79 Cb -0.00 0.91 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1x6g s SER 79 CO 0.38 -0.07 0.00 -0.24 1.20 0.00 0.00 173.24 174.51 1x6g n SER 80 N 3.66 -8.00 0.00 5.45 2.88 -1.26 -5.26 113.62 111.09 1x6g n SER 80 Ca 0.09 1.61 0.00 0.00 -1.33 0.00 0.00 58.87 59.23 1x6g n SER 80 Cb 0.61 -4.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.43 1x6g n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42