#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 -4.09 -3.59 1.61 7.64 -1.26 -5.17 113.62 108.77 1x6g n SER 2 Ca 0.00 0.87 -0.05 0.00 1.01 0.00 0.00 58.87 60.70 1x6g n SER 2 Cb 0.00 3.81 -0.02 0.00 -1.01 0.00 0.00 64.21 67.00 1x6g n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x6g s SER 3 N -2.00 -0.23 -0.39 6.43 1.04 -1.26 -5.10 113.70 112.19 1x6g s SER 3 Ca 0.00 -0.08 0.08 0.00 0.48 0.00 0.00 55.95 56.42 1x6g s SER 3 Cb 0.00 0.30 0.25 0.00 0.10 0.00 0.00 66.02 66.67 1x6g s SER 3 CO 0.00 -0.51 0.51 0.61 0.98 0.00 0.00 173.24 174.83 1x6g n GLY 4 N -0.27 2.83 3.58 7.32 0.00 -1.26 -5.07 105.19 112.32 1x6g n GLY 4 Ca -0.06 -1.56 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.12 -0.58 -0.30 1.61 0.15 -1.26 -5.14 113.70 107.07 1x6g s SER 5 Ca 0.35 0.88 -0.16 0.00 0.70 0.00 0.00 55.95 57.71 1x6g s SER 5 Cb 0.16 1.38 0.18 0.00 -1.71 0.00 0.00 66.02 66.03 1x6g s SER 5 CO -0.11 -0.13 1.19 -0.55 1.20 0.00 0.00 173.24 174.83 1x6g s SER 6 N 1.71 -0.12 0.00 5.45 0.15 -1.26 -5.14 113.70 114.48 1x6g s SER 6 Ca -0.07 0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1x6g s SER 6 Cb -0.05 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.35 1x6g s SER 6 CO -0.16 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1x6g n GLY 7 N 5.29 0.45 2.66 9.45 0.00 -1.26 -5.12 105.19 116.65 1x6g n GLY 7 Ca -0.00 0.64 -0.17 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 0.82 0.04 1.61 0.52 -1.26 -5.01 118.95 115.67 1x6g s ARG 8 Ca 0.00 -1.28 -0.25 0.00 -0.52 0.00 0.00 55.73 53.68 1x6g s ARG 8 Cb 0.00 -0.77 -0.17 0.00 0.52 0.00 0.00 34.95 34.53 1x6g s ARG 8 CO 0.00 -1.29 1.49 0.52 0.02 0.00 0.00 175.30 176.05 1x6g h MET 9 N 6.17 -0.18 -7.01 3.54 2.86 -2.04 -3.42 114.93 114.85 1x6g h MET 9 Ca 0.12 0.01 -0.48 0.00 -2.06 0.00 0.00 59.70 57.29 1x6g h MET 9 Cb 1.03 0.04 0.02 0.00 0.06 0.00 0.00 31.60 32.75 1x6g h MET 9 CO 0.21 0.04 0.40 -1.25 1.06 0.00 0.00 176.91 177.37 1x6g s PRO 10 N -5.33 4.01 -0.05 -0.22 0.04 -1.26 -4.42 135.00 127.77 1x6g s PRO 10 Ca -0.15 1.46 -0.00 0.00 0.04 0.00 0.00 61.00 62.35 1x6g s PRO 10 Cb 0.04 -2.35 0.00 0.00 0.04 0.00 0.00 34.50 32.22 1x6g s PRO 10 CO 0.63 -0.27 0.01 2.41 0.04 0.00 0.00 177.00 179.82 1x6g n THR 11 N -0.45 -3.66 -3.70 1.26 -1.04 -1.26 -4.92 114.28 100.51 1x6g n THR 11 Ca 0.07 0.71 -0.38 0.00 -2.04 0.00 0.00 64.05 62.40 1x6g n THR 11 Cb 0.51 -3.62 -0.12 0.00 -1.82 0.00 0.00 70.33 65.27 1x6g n THR 11 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1x6g s ARG 12 N -0.99 3.03 0.97 -2.82 3.52 -1.26 -5.01 118.95 116.38 1x6g s ARG 12 Ca -0.01 -0.92 -0.16 0.00 -0.13 0.00 0.00 55.73 54.52 1x6g s ARG 12 Cb 0.00 -3.51 0.24 0.00 -1.56 0.00 0.00 34.95 30.12 1x6g s ARG 12 CO 0.14 -0.52 0.95 0.54 -0.81 0.00 0.00 175.30 175.60 1x6g n ARG 13 N 4.91 -2.37 -2.06 5.12 3.00 -1.26 -4.96 116.66 119.05 1x6g n ARG 13 Ca -0.13 -1.51 -0.41 0.00 -0.01 0.00 0.00 57.85 55.79 1x6g n ARG 13 Cb 0.47 -1.30 -0.02 0.00 0.00 0.00 0.00 32.46 31.61 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 -2.83 3.03 0.64 -1.55 0.51 -1.26 -5.01 118.94 112.48 1x6g s TRP 14 Ca 0.60 1.20 -0.04 0.00 -2.12 0.00 0.00 56.10 55.74 1x6g s TRP 14 Cb -0.05 -3.76 0.05 0.00 -0.81 0.00 0.00 33.47 28.91 1x6g s TRP 14 CO 0.45 -2.30 0.92 0.00 -0.51 0.00 0.00 176.95 175.51 1x6g s ALA 15 N -0.48 3.44 -0.31 0.98 0.00 -1.26 -4.95 121.76 119.18 1x6g s ALA 15 Ca 0.55 -1.07 -0.29 0.00 0.00 0.00 0.00 51.96 51.15 1x6g s ALA 15 Cb -0.41 -2.40 -0.00 0.00 0.00 0.00 0.00 23.12 20.31 1x6g s ALA 15 CO 0.47 -1.08 1.36 -1.25 0.00 0.00 0.00 175.76 175.26 1x6g s PRO 16 N -5.06 3.84 0.00 0.00 0.04 -1.26 -2.80 135.00 129.77 1x6g s PRO 16 Ca 0.59 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.86 1x6g s PRO 16 Cb -0.11 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1x6g s PRO 16 CO 0.42 -1.22 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1x6g n GLY 17 N 4.49 0.76 3.79 0.56 0.00 -0.66 -4.93 105.19 109.20 1x6g n GLY 17 Ca 0.15 0.00 -0.39 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 -1.50 4.81 -0.28 2.61 2.01 -1.12 -4.75 115.64 117.42 1x6g s THR 18 Ca 0.00 1.20 -0.22 0.00 0.31 0.00 0.00 61.69 62.99 1x6g s THR 18 Cb 0.00 -3.90 -0.01 0.00 0.01 0.00 0.00 72.50 68.60 1x6g s THR 18 CO 0.00 0.51 0.71 -1.10 -0.69 0.00 0.00 174.62 174.05 1x6g s GLN 19 N -0.78 4.04 0.08 4.92 -0.21 -1.26 -2.28 119.66 124.17 1x6g s GLN 19 Ca 0.29 0.58 0.06 0.00 0.02 0.00 0.00 55.36 56.31 1x6g s GLN 19 Cb -0.19 -3.69 -0.04 0.00 1.00 0.00 0.00 33.01 30.10 1x6g s GLN 19 CO 0.18 -0.53 -0.05 0.00 -2.12 0.00 0.00 175.29 172.76 1x6g s ILE 21 N -1.23 3.54 0.33 0.00 -1.09 0.82 -2.38 121.20 121.19 1x6g s ILE 21 Ca 0.23 -1.41 -0.14 0.00 -2.23 0.00 0.00 60.65 57.09 1x6g s ILE 21 Cb -0.11 -2.74 -0.08 0.00 -1.58 0.00 0.00 42.46 37.94 1x6g s ILE 21 CO 0.15 -0.05 0.72 0.42 -1.23 0.00 0.00 174.94 174.96 1x6g s THR 22 N -1.58 4.71 -0.67 2.92 -4.23 -1.21 0.12 115.64 115.71 1x6g s THR 22 Ca 0.25 0.86 0.22 0.00 -1.18 0.00 0.00 61.69 61.85 1x6g s THR 22 Cb -0.10 -3.63 -0.17 0.00 1.34 0.00 0.00 72.50 69.95 1x6g s THR 22 CO 0.17 -0.22 0.95 0.29 -0.54 0.00 0.00 174.62 175.26 1x6g n LYS 23 N -0.47 0.24 -4.14 3.99 5.02 -0.93 -3.59 118.16 118.28 1x6g n LYS 23 Ca 0.03 -0.03 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 1x6g n LYS 23 Cb 0.53 -1.55 -0.06 0.00 -0.02 0.00 0.00 35.03 33.93 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 -3.40 3.33 -0.29 0.00 -1.05 -1.26 -3.79 118.70 112.24 1x6g s GLU 25 Ca 0.33 -0.53 0.03 0.00 -0.15 0.00 0.00 54.97 54.66 1x6g s GLU 25 Cb 0.01 -2.79 0.08 0.00 -0.44 0.00 0.00 34.13 30.99 1x6g s GLU 25 CO 0.20 0.41 -0.04 -1.58 0.95 0.00 0.00 175.26 175.19 1x6g s HIS 26 N -0.10 3.36 -0.08 4.83 2.46 0.49 -4.89 115.29 121.36 1x6g s HIS 26 Ca 0.02 -2.53 0.11 0.00 0.47 0.00 0.00 55.06 53.12 1x6g s HIS 26 Cb -0.13 -2.28 -0.24 0.00 -0.13 0.00 0.00 32.58 29.80 1x6g s HIS 26 CO 0.03 -0.90 0.52 0.25 -2.47 0.00 0.00 174.74 172.16 1x6g n THR 27 N 4.39 1.60 -3.76 0.89 -2.24 -1.25 -0.10 114.28 113.80 1x6g n THR 27 Ca -0.07 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.63 1x6g n THR 27 Cb 0.42 -1.05 -0.13 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.58 1.31 1.01 -0.78 0.52 -1.26 -4.88 118.95 112.29 1x6g s ARG 28 Ca -0.08 -1.96 -0.15 0.00 -0.52 0.00 0.00 55.73 53.01 1x6g s ARG 28 Cb 0.08 -2.45 0.20 0.00 0.52 0.00 0.00 34.95 33.30 1x6g s ARG 28 CO 0.81 -1.13 1.19 -1.25 0.02 0.00 0.00 175.30 174.94 1x6g s PRO 29 N 0.45 0.30 1.37 3.54 0.04 -1.26 -5.04 135.00 134.40 1x6g s PRO 29 Ca 0.16 -0.03 -0.20 0.00 0.04 0.00 0.00 61.00 60.98 1x6g s PRO 29 Cb -0.24 -1.77 0.35 0.00 0.04 0.00 0.00 34.50 32.88 1x6g s PRO 29 CO -0.03 -2.70 0.94 0.15 0.04 0.00 0.00 177.00 175.41 1x6g s LYS 30 N -5.50 -2.50 -0.96 4.56 1.02 -1.26 -4.81 119.74 110.29 1x6g s LYS 30 Ca 0.69 0.37 -0.24 0.00 0.02 0.00 0.00 55.97 56.81 1x6g s LYS 30 Cb -0.10 -1.41 0.00 0.00 -0.52 0.00 0.00 37.83 35.81 1x6g s LYS 30 CO 0.54 -4.65 1.69 -1.25 -0.92 0.00 0.00 175.35 170.76 1x6g s PRO 31 N -4.84 3.08 0.00 -1.68 0.04 -1.26 -2.23 135.00 128.12 1x6g s PRO 31 Ca 0.68 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.03 1x6g s PRO 31 Cb -0.17 -5.20 0.00 0.00 0.04 0.00 0.00 34.50 29.17 1x6g s PRO 31 CO 0.60 -2.77 0.00 0.41 0.04 0.00 0.00 177.00 175.28 1x6g n GLY 32 N 6.85 1.77 3.70 0.56 0.00 -1.26 -5.13 105.19 111.68 1x6g n GLY 32 Ca 0.36 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.07 2.13 0.27 1.61 2.02 -0.94 -4.76 118.70 118.95 1x6g s GLU 33 Ca 0.00 -1.97 -0.02 0.00 0.02 0.00 0.00 54.97 53.01 1x6g s GLU 33 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 34.13 32.35 1x6g s GLU 33 CO 0.00 -0.11 0.49 -1.17 0.02 0.00 0.00 175.26 174.48 1x6g s LEU 34 N -3.84 4.12 0.21 1.80 2.96 -1.26 -4.76 118.68 117.91 1x6g s LEU 34 Ca 0.37 0.51 0.09 0.00 -0.22 0.00 0.00 54.13 54.89 1x6g s LEU 34 Cb 0.06 -3.32 -0.04 0.00 0.50 0.00 0.00 46.19 43.39 1x6g s LEU 34 CO 0.20 -0.16 -0.05 0.00 -1.32 0.00 0.00 176.35 175.02 1x6g s ALA 35 N -2.06 3.06 0.12 5.97 0.00 -1.26 -4.56 121.76 123.03 1x6g s ALA 35 Ca 0.41 -1.52 -0.26 0.00 0.00 0.00 0.00 51.96 50.59 1x6g s ALA 35 Cb -0.10 -0.78 0.07 0.00 0.00 0.00 0.00 23.12 22.30 1x6g s ALA 35 CO 0.31 0.40 0.89 -0.59 0.00 0.00 0.00 175.76 176.77 1x6g s PHE 36 N -1.94 -0.23 0.53 0.00 -0.12 0.85 -5.00 117.98 112.08 1x6g s PHE 36 Ca 0.28 -0.03 0.06 0.00 -0.05 0.00 0.00 56.93 57.19 1x6g s PHE 36 Cb -0.08 0.61 0.04 0.00 -0.63 0.00 0.00 43.02 42.96 1x6g s PHE 36 CO 0.17 -0.78 0.44 1.03 -0.05 0.00 0.00 175.22 176.04 1x6g s ARG 37 N -3.32 2.28 0.18 1.99 1.81 -1.26 0.19 118.95 120.82 1x6g s ARG 37 Ca 0.09 -1.93 -0.30 0.00 -1.72 0.00 0.00 55.73 51.87 1x6g s ARG 37 Cb -0.02 -2.18 -0.08 0.00 -0.45 0.00 0.00 34.95 32.22 1x6g s ARG 37 CO -0.02 -0.60 1.31 0.21 -0.68 0.00 0.00 175.30 175.53 1x6g s LYS 38 N -4.30 4.38 -0.52 3.54 2.20 -1.25 -3.29 119.74 120.51 1x6g s LYS 38 Ca 0.38 2.04 -0.00 0.00 -0.36 0.00 0.00 55.97 58.04 1x6g s LYS 38 Cb -0.03 -3.21 -0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1x6g s LYS 38 CO 0.24 -0.27 0.43 0.41 -0.36 0.00 0.00 175.35 175.80 1x6g n GLY 39 N 2.53 0.09 3.67 5.54 0.00 -1.24 -4.99 105.19 110.80 1x6g n GLY 39 Ca 0.07 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.59 5.26 -0.01 1.61 1.11 -1.21 -4.90 116.67 114.95 1x6g s ASP 40 Ca 0.00 0.13 -0.16 0.00 0.18 0.00 0.00 52.55 52.71 1x6g s ASP 40 Cb -0.00 -1.55 -0.06 0.00 1.07 0.00 0.00 42.92 42.39 1x6g s ASP 40 CO 0.32 0.35 0.43 -0.69 1.18 0.00 0.00 175.17 176.76 1x6g s VAL 41 N -0.72 5.02 -0.10 -1.27 1.01 -1.26 -3.28 120.40 119.81 1x6g s VAL 41 Ca 0.11 0.88 -0.12 0.00 0.00 0.00 0.00 61.98 62.86 1x6g s VAL 41 Cb -0.12 -3.74 0.03 0.00 0.00 0.00 0.00 36.38 32.55 1x6g s VAL 41 CO 0.02 0.55 0.31 0.68 0.00 0.00 0.00 175.10 176.66 1x6g s VAL 42 N -0.86 0.01 -0.17 2.92 -7.23 -1.00 -3.30 120.40 110.76 1x6g s VAL 42 Ca 0.24 -0.10 -0.11 0.00 -1.81 0.00 0.00 61.98 60.21 1x6g s VAL 42 Cb -0.17 -0.47 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 1x6g s VAL 42 CO 0.13 -0.06 0.18 -0.89 -0.31 0.00 0.00 175.10 174.16 1x6g s THR 43 N -0.13 5.39 -0.40 5.32 2.01 -1.10 -1.36 115.64 125.36 1x6g s THR 43 Ca -0.03 0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.00 1x6g s THR 43 Cb -0.03 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1x6g s THR 43 CO 0.01 0.47 1.97 -0.63 -0.69 0.00 0.00 174.62 175.75 1x6g s ILE 44 N 0.07 3.30 -0.04 1.82 -1.09 -0.97 -1.06 121.20 123.25 1x6g s ILE 44 Ca 0.12 0.27 -0.24 0.00 -2.23 0.00 0.00 60.65 58.57 1x6g s ILE 44 Cb -0.12 -3.52 -0.18 0.00 -1.58 0.00 0.00 42.46 37.06 1x6g s ILE 44 CO 0.01 -0.41 1.05 -0.07 -1.23 0.00 0.00 174.94 174.29 1x6g h LEU 45 N 15.47 -0.14 -8.02 2.97 3.38 -0.56 -1.76 115.31 126.65 1x6g h LEU 45 Ca -0.31 -0.40 -0.11 0.00 0.09 0.00 0.00 57.88 57.15 1x6g h LEU 45 Cb 1.19 0.04 -0.14 0.00 0.09 0.00 0.00 40.66 41.84 1x6g h LEU 45 CO 1.08 0.38 -0.42 -1.61 0.09 0.00 0.00 178.44 177.97 1x6g s GLU 46 N -3.82 0.94 -0.31 1.13 2.02 -1.08 -4.86 118.70 112.72 1x6g s GLU 46 Ca -0.14 -1.12 -0.06 0.00 0.02 0.00 0.00 54.97 53.67 1x6g s GLU 46 Cb 0.01 0.33 0.03 0.00 0.10 0.00 0.00 34.13 34.60 1x6g s GLU 46 CO 0.56 -0.31 0.08 0.00 0.02 0.00 0.00 175.26 175.61 1x6g s ALA 47 N -3.93 3.02 -0.23 5.21 0.00 -1.26 -3.92 121.76 120.65 1x6g s ALA 47 Ca 0.12 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 1x6g s ALA 47 Cb 0.05 -2.17 0.06 0.00 0.00 0.00 0.00 23.12 21.07 1x6g s ALA 47 CO -0.06 -1.13 0.61 0.00 0.00 0.00 0.00 175.76 175.18 1x6g h GLU 49 N 5.65 0.00 -3.72 0.00 5.08 -1.98 -3.40 114.58 116.22 1x6g h GLU 49 Ca -0.29 -0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.87 1x6g h GLU 49 Cb 1.18 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1x6g h GLU 49 CO 0.14 0.00 -0.25 0.09 -1.00 0.00 0.00 179.01 178.00 1x6g n ASN 50 N -5.38 -3.25 -1.10 1.42 3.02 -1.26 0.19 115.26 108.90 1x6g n ASN 50 Ca 0.05 0.25 -0.07 0.00 -0.03 0.00 0.00 54.58 54.79 1x6g n ASN 50 Cb 0.28 -2.84 0.01 0.00 -0.61 0.00 0.00 39.78 36.63 1x6g n ASN 50 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1x6g n LYS 51 N -2.60 -1.54 -1.79 3.52 5.02 -1.26 -3.79 118.16 115.72 1x6g n LYS 51 Ca -0.12 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1x6g n LYS 51 Cb 0.56 -3.76 0.00 0.00 -0.02 0.00 0.00 35.03 31.80 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 0.46 -1.77 -4.06 4.39 2.88 0.50 -5.00 113.62 111.02 1x6g n SER 52 Ca -0.03 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.44 1x6g n SER 52 Cb 0.53 -0.44 -0.10 0.00 -0.75 0.00 0.00 64.21 63.45 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 -2.77 0.48 -0.07 0.66 0.52 0.51 -1.74 118.94 116.53 1x6g s TRP 53 Ca 0.00 -1.01 0.01 0.00 0.02 0.00 0.00 56.10 55.11 1x6g s TRP 53 Cb 0.00 -0.35 0.02 0.00 -1.15 0.00 0.00 33.47 31.99 1x6g s TRP 53 CO 0.00 -0.40 -0.07 0.71 0.02 0.00 0.00 176.95 177.22 1x6g s TYR 54 N -3.89 1.14 -0.56 -1.98 2.02 0.12 -4.25 117.35 109.95 1x6g s TYR 54 Ca 0.07 -0.44 -0.28 0.00 -0.37 0.00 0.00 57.07 56.04 1x6g s TYR 54 Cb 0.08 -0.96 0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1x6g s TYR 54 CO -0.10 -0.32 1.17 0.50 -1.57 0.00 0.00 175.55 175.23 1x6g s ARG 55 N 1.21 3.54 0.42 -0.62 3.52 -1.25 -0.97 118.95 124.80 1x6g s ARG 55 Ca -0.05 0.29 0.05 0.00 -0.13 0.00 0.00 55.73 55.88 1x6g s ARG 55 Cb -0.14 -4.00 -0.06 0.00 -1.56 0.00 0.00 34.95 29.20 1x6g s ARG 55 CO -0.02 -1.62 0.03 0.14 -0.81 0.00 0.00 175.30 173.02 1x6g s VAL 56 N 4.82 1.51 -0.18 7.11 -7.23 -1.22 0.20 120.40 125.42 1x6g s VAL 56 Ca 0.43 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.60 1x6g s VAL 56 Cb -0.08 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1x6g s VAL 56 CO 0.26 0.00 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.17 1x6g s LYS 57 N -3.79 3.20 -0.11 4.82 2.20 -0.22 -3.48 119.74 122.37 1x6g s LYS 57 Ca 0.27 -0.74 -0.30 0.00 -0.36 0.00 0.00 55.97 54.85 1x6g s LYS 57 Cb 0.07 -2.71 -0.03 0.00 -1.51 0.00 0.00 37.83 33.65 1x6g s LYS 57 CO 0.13 -0.09 1.34 -1.58 -0.36 0.00 0.00 175.35 174.79 1x6g s HIS 58 N 1.09 2.75 0.01 4.03 5.65 -0.79 -2.72 115.29 125.31 1x6g s HIS 58 Ca -0.00 0.88 -0.07 0.00 0.25 0.00 0.00 55.06 56.11 1x6g s HIS 58 Cb -0.14 -3.58 -0.04 0.00 -1.18 0.00 0.00 32.58 27.63 1x6g s HIS 58 CO -0.04 -2.10 1.11 1.25 -0.65 0.00 0.00 174.74 174.31 1x6g h HIS 59 N 8.27 -0.26 0.22 3.88 2.76 -1.90 1.46 115.15 129.58 1x6g h HIS 59 Ca -0.31 -0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.85 1x6g h HIS 59 Cb 1.13 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.16 1x6g h HIS 59 CO 0.80 -0.15 -0.30 1.15 -1.30 0.00 0.00 177.93 178.12 1x6g h THR 60 N -0.26 0.00 0.13 6.26 2.02 -1.92 -3.17 112.91 115.97 1x6g h THR 60 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1x6g h THR 60 Cb 0.20 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 1x6g h THR 60 CO 0.04 0.00 -0.31 0.28 0.37 0.00 0.00 175.52 175.90 1x6g h SER 61 N -0.54 -0.91 0.00 4.18 0.02 -1.95 -3.46 113.55 110.88 1x6g h SER 61 Ca -0.03 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1x6g h SER 61 Cb 0.49 0.33 0.00 0.00 0.14 0.00 0.00 62.40 63.36 1x6g h SER 61 CO -0.08 -0.35 0.00 0.61 -1.14 0.00 0.00 176.83 175.87 1x6g n GLY 62 N -1.30 0.88 3.99 -3.77 0.00 0.50 -5.02 105.19 100.46 1x6g n GLY 62 Ca -0.06 -0.17 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.50 2.23 -0.17 1.61 -0.21 -1.24 -4.84 119.66 116.54 1x6g s GLN 63 Ca 0.00 -1.87 -0.01 0.00 0.02 0.00 0.00 55.36 53.50 1x6g s GLN 63 Cb 0.00 -2.39 0.05 0.00 1.00 0.00 0.00 33.01 31.67 1x6g s GLN 63 CO 0.00 -0.84 -0.02 -1.21 -2.12 0.00 0.00 175.29 171.10 1x6g s GLU 64 N -4.54 1.10 0.09 2.91 2.02 -1.26 -1.89 118.70 117.13 1x6g s GLU 64 Ca 0.49 -0.45 -0.09 0.00 0.02 0.00 0.00 54.97 54.95 1x6g s GLU 64 Cb -0.04 -1.95 -0.00 0.00 0.10 0.00 0.00 34.13 32.24 1x6g s GLU 64 CO 0.31 -0.49 0.20 0.20 0.02 0.00 0.00 175.26 175.50 1x6g s GLY 65 N 1.73 0.09 0.73 -1.39 0.00 -1.23 -4.85 107.32 102.39 1x6g s GLY 65 Ca 0.00 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 43.97 1x6g s GLY 65 CO -0.07 -0.79 1.18 1.08 0.00 0.00 0.00 173.10 174.49 1x6g s LEU 66 N -2.86 3.30 -0.02 0.66 2.01 -1.26 -3.44 118.68 117.07 1x6g s LEU 66 Ca 0.05 2.24 0.01 0.00 0.01 0.00 0.00 54.13 56.45 1x6g s LEU 66 Cb 0.05 -4.58 0.01 0.00 0.01 0.00 0.00 46.19 41.68 1x6g s LEU 66 CO -0.11 -2.16 -0.05 -0.22 1.01 0.00 0.00 176.35 174.83 1x6g s LEU 67 N -5.19 1.76 -0.22 1.79 0.20 -0.14 -4.07 118.68 112.80 1x6g s LEU 67 Ca 0.72 -0.10 -0.32 0.00 0.69 0.00 0.00 54.13 55.12 1x6g s LEU 67 Cb -0.26 -0.31 -0.09 0.00 -0.43 0.00 0.00 46.19 45.09 1x6g s LEU 67 CO 0.45 0.02 2.11 0.00 -0.29 0.00 0.00 176.35 178.64 1x6g n ALA 68 N 3.33 1.27 0.33 5.97 0.00 -1.26 0.12 120.51 130.27 1x6g n ALA 68 Ca -0.17 -0.02 0.22 0.00 0.00 0.00 0.00 53.44 53.47 1x6g n ALA 68 Cb 0.55 -2.66 1.19 0.00 0.00 0.00 0.00 19.45 18.53 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 12.36 1.01 -0.90 0.00 0.00 -1.64 0.08 119.26 130.17 1x6g h ALA 69 Ca -0.38 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 53.96 1x6g h ALA 69 Cb 1.28 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.78 1x6g h ALA 69 CO 0.98 -0.01 0.51 0.41 0.00 0.00 0.00 179.25 181.13 1x6g n GLY 70 N -1.09 5.49 0.88 0.00 0.00 -1.26 -4.15 105.19 105.06 1x6g n GLY 70 Ca -0.03 -1.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.98 2.80 -2.43 4.61 0.00 0.01 -5.02 120.51 119.51 1x6g n ALA 71 Ca 0.57 -0.82 -0.27 0.00 0.00 0.00 0.00 53.44 52.91 1x6g n ALA 71 Cb 1.00 -0.33 -0.14 0.00 0.00 0.00 0.00 19.45 19.98 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 2.17 0.24 0.00 1.43 -1.23 -2.19 118.68 119.10 1x6g s LEU 72 Ca 0.06 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1x6g s LEU 72 Cb 0.07 -1.09 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 1x6g s LEU 72 CO -0.03 0.20 0.13 0.00 0.23 0.00 0.00 176.35 176.88 1x6g s ARG 73 N -1.23 1.36 -0.50 1.70 1.04 0.32 -4.91 118.95 116.74 1x6g s ARG 73 Ca 0.09 -1.74 -0.22 0.00 -1.04 0.00 0.00 55.73 52.82 1x6g s ARG 73 Cb -0.09 0.04 0.04 0.00 -2.04 0.00 0.00 34.95 32.90 1x6g s ARG 73 CO 0.02 -0.38 0.76 -2.00 -0.04 0.00 0.00 175.30 173.66 1x6g s GLU 74 N -4.02 3.26 0.16 3.89 2.12 -1.26 -0.12 118.70 122.72 1x6g s GLU 74 Ca 0.38 -0.47 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 1x6g s GLU 74 Cb 0.07 -4.04 -0.06 0.00 0.26 0.00 0.00 34.13 30.36 1x6g s GLU 74 CO 0.14 -1.26 1.50 -2.13 -0.54 0.00 0.00 175.26 172.97 1x6g n ARG 75 N 6.72 -0.43 -0.04 4.30 0.63 -1.25 0.07 116.66 126.66 1x6g n ARG 75 Ca -0.02 1.47 -0.08 0.00 -0.92 0.00 0.00 57.85 58.31 1x6g n ARG 75 Cb 0.47 -2.16 -0.02 0.00 0.45 0.00 0.00 32.46 31.20 1x6g n ARG 75 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1x6g h SER 76 N 0.00 -0.35 0.00 6.15 0.02 -1.92 -3.47 113.55 113.98 1x6g h SER 76 Ca 0.16 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1x6g h SER 76 Cb 0.40 0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1x6g h SER 76 CO -0.92 -0.14 0.00 0.61 -1.14 0.00 0.00 176.83 175.25 1x6g n GLY 77 N -1.26 0.76 3.81 -3.77 0.00 0.11 -4.69 105.19 100.15 1x6g n GLY 77 Ca -0.01 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 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 0.00 2.63 -0.02 1.61 0.04 -1.26 -5.02 135.00 132.97 1x6g s PRO 78 Ca 0.00 0.84 -0.06 0.00 0.04 0.00 0.00 61.00 61.82 1x6g s PRO 78 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1x6g s PRO 78 CO 0.00 -1.29 -0.12 0.45 0.04 0.00 0.00 177.00 176.08 1x6g n SER 79 N -3.24 1.23 -4.70 6.66 2.88 -1.26 -4.99 113.62 110.19 1x6g n SER 79 Ca 0.07 0.18 -0.40 0.00 -1.33 0.00 0.00 58.87 57.40 1x6g n SER 79 Cb 0.55 -0.43 -0.05 0.00 -0.75 0.00 0.00 64.21 63.53 1x6g n SER 79 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x6g s SER 80 N -5.94 6.95 0.00 -3.46 0.15 -1.26 -5.30 113.70 104.83 1x6g s SER 80 Ca -0.11 1.15 0.26 0.00 0.70 0.00 0.00 55.95 57.94 1x6g s SER 80 Cb 0.02 -2.41 0.52 0.00 -1.71 0.00 0.00 66.02 62.45 1x6g s SER 80 CO 0.15 -0.18 1.45 0.61 1.20 0.00 0.00 173.24 176.47