#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 1.03 -0.07 1.61 0.15 -1.26 -5.16 113.70 110.00 1x6g s SER 2 Ca 0.00 -1.29 0.02 0.00 0.70 0.00 0.00 55.95 55.38 1x6g s SER 2 Cb 0.00 0.18 0.02 0.00 -1.71 0.00 0.00 66.02 64.50 1x6g s SER 2 CO 0.00 -0.68 -0.11 -0.55 1.20 0.00 0.00 173.24 173.10 1x6g s SER 3 N -3.22 1.78 0.05 5.45 0.15 -1.26 -5.12 113.70 111.52 1x6g s SER 3 Ca 0.31 -0.29 -0.29 0.00 0.70 0.00 0.00 55.95 56.38 1x6g s SER 3 Cb 0.07 -0.81 -0.04 0.00 -1.71 0.00 0.00 66.02 63.53 1x6g s SER 3 CO 0.09 0.01 0.94 -0.83 1.20 0.00 0.00 173.24 174.65 1x6g s GLY 4 N 0.81 2.93 0.02 9.45 0.00 -1.26 -5.05 107.32 114.22 1x6g s GLY 4 Ca -0.12 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.12 1x6g s GLY 4 CO 0.02 1.52 -0.03 -0.45 0.00 0.00 0.00 173.10 174.15 1x6g s SER 5 N 0.48 0.32 0.15 1.64 0.15 -1.26 -5.15 113.70 110.02 1x6g s SER 5 Ca 0.48 -0.39 -0.15 0.00 0.70 0.00 0.00 55.95 56.58 1x6g s SER 5 Cb -0.22 0.06 -0.07 0.00 -1.71 0.00 0.00 66.02 64.08 1x6g s SER 5 CO 0.28 -0.21 0.57 -0.44 1.20 0.00 0.00 173.24 174.64 1x6g s SER 6 N -1.13 6.88 0.00 5.45 0.01 -1.26 -5.07 113.70 118.58 1x6g s SER 6 Ca -0.11 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.29 1x6g s SER 6 Cb -0.08 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1x6g s SER 6 CO -0.01 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.37 1x6g n GLY 7 N 0.90 0.39 2.57 3.44 0.00 -1.26 -5.05 105.19 106.19 1x6g n GLY 7 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1x6g n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x6g n ARG 8 N 0.00 -3.20 -3.64 1.61 1.74 -1.26 -5.08 116.66 106.83 1x6g n ARG 8 Ca 0.00 2.59 -0.02 0.00 -0.77 0.00 0.00 57.85 59.65 1x6g n ARG 8 Cb 0.00 -4.90 -0.04 0.00 -1.02 0.00 0.00 32.46 26.50 1x6g n ARG 8 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1x6g s MET 9 N -1.41 0.09 0.04 5.56 -1.94 -1.26 -5.14 119.30 115.24 1x6g s MET 9 Ca -0.02 0.02 -0.30 0.00 -1.71 0.00 0.00 55.69 53.68 1x6g s MET 9 Cb 0.00 0.04 -0.05 0.00 2.01 0.00 0.00 34.83 36.83 1x6g s MET 9 CO 0.70 -0.03 1.17 -1.25 -0.01 0.00 0.00 175.02 175.61 1x6g s PRO 10 N -1.02 4.43 -0.02 2.03 0.04 -1.26 -5.03 135.00 134.17 1x6g s PRO 10 Ca 0.08 1.71 0.01 0.00 0.04 0.00 0.00 61.00 62.84 1x6g s PRO 10 Cb -0.01 -3.39 0.02 0.00 0.04 0.00 0.00 34.50 31.15 1x6g s PRO 10 CO -0.07 -0.26 -0.02 0.95 0.04 0.00 0.00 177.00 177.63 1x6g s THR 11 N 1.24 0.29 0.95 1.26 -4.23 -1.26 -5.14 115.64 108.75 1x6g s THR 11 Ca 0.58 -0.04 -0.12 0.00 -1.18 0.00 0.00 61.69 60.93 1x6g s THR 11 Cb -0.28 -0.33 0.06 0.00 1.34 0.00 0.00 72.50 73.29 1x6g s THR 11 CO 0.28 0.14 0.54 -1.14 -0.54 0.00 0.00 174.62 173.90 1x6g n ARG 12 N 3.76 -0.35 -0.60 3.99 0.63 -1.26 -4.74 116.66 118.08 1x6g n ARG 12 Ca -0.22 -0.06 0.08 0.00 -0.92 0.00 0.00 57.85 56.73 1x6g n ARG 12 Cb 0.53 -1.95 -0.02 0.00 0.45 0.00 0.00 32.46 31.47 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 -2.18 -1.20 -2.46 -0.14 5.12 -1.26 -4.89 116.66 109.65 1x6g n ARG 13 Ca 0.08 0.79 -0.26 0.00 -1.93 0.00 0.00 57.85 56.53 1x6g n ARG 13 Cb 0.53 -1.46 0.04 0.00 -1.16 0.00 0.00 32.46 30.41 1x6g n ARG 13 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1x6g s TRP 14 N -1.34 3.16 0.48 -1.55 0.51 -1.26 -5.11 118.94 113.83 1x6g s TRP 14 Ca 0.00 0.50 0.04 0.00 -2.12 0.00 0.00 56.10 54.52 1x6g s TRP 14 Cb 0.00 -2.75 -0.03 0.00 -0.81 0.00 0.00 33.47 29.88 1x6g s TRP 14 CO 0.00 -0.86 0.06 0.00 -0.51 0.00 0.00 176.95 175.64 1x6g s ALA 15 N -2.95 3.85 -0.36 0.98 0.00 -1.26 -4.90 121.76 117.11 1x6g s ALA 15 Ca 0.54 -1.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.07 1x6g s ALA 15 Cb -0.10 -0.05 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1x6g s ALA 15 CO 0.44 -0.10 1.38 -1.25 0.00 0.00 0.00 175.76 176.22 1x6g s PRO 16 N -3.88 3.72 0.00 0.00 0.04 -1.26 -2.59 135.00 131.04 1x6g s PRO 16 Ca 0.20 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.34 1x6g s PRO 16 Cb 0.04 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.61 1x6g s PRO 16 CO 0.11 -1.37 0.00 0.41 0.04 0.00 0.00 177.00 176.18 1x6g n GLY 17 N 4.75 1.53 3.77 0.56 0.00 0.22 -4.93 105.19 111.08 1x6g n GLY 17 Ca 0.16 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 -1.60 3.79 -0.09 2.61 2.01 -1.07 -4.60 115.64 116.69 1x6g s THR 18 Ca 0.00 1.62 -0.17 0.00 0.31 0.00 0.00 61.69 63.45 1x6g s THR 18 Cb 0.00 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.51 1x6g s THR 18 CO 0.00 0.25 0.45 -1.10 -0.69 0.00 0.00 174.62 173.53 1x6g s GLN 19 N -1.80 4.25 0.19 4.92 -0.21 -1.26 -1.49 119.66 124.26 1x6g s GLN 19 Ca 0.49 0.43 0.08 0.00 0.02 0.00 0.00 55.36 56.37 1x6g s GLN 19 Cb -0.26 -3.39 -0.05 0.00 1.00 0.00 0.00 33.01 30.32 1x6g s GLN 19 CO 0.32 0.29 -0.15 0.00 -2.12 0.00 0.00 175.29 173.63 1x6g s ILE 21 N -2.80 1.86 -0.20 0.00 -1.09 0.88 -2.45 121.20 117.39 1x6g s ILE 21 Ca 0.20 -1.07 -0.29 0.00 -2.23 0.00 0.00 60.65 57.26 1x6g s ILE 21 Cb -0.02 -1.56 -0.01 0.00 -1.58 0.00 0.00 42.46 39.29 1x6g s ILE 21 CO 0.06 0.46 1.33 0.42 -1.23 0.00 0.00 174.94 175.98 1x6g s THR 22 N -0.61 4.15 0.38 2.92 -4.23 -1.18 -0.53 115.64 116.54 1x6g s THR 22 Ca 0.09 1.36 0.25 0.00 -1.18 0.00 0.00 61.69 62.21 1x6g s THR 22 Cb -0.09 -3.98 0.26 0.00 1.34 0.00 0.00 72.50 70.03 1x6g s THR 22 CO -0.00 -0.23 2.01 0.11 -0.54 0.00 0.00 174.62 175.97 1x6g h LYS 23 N 8.78 0.00 -4.94 3.99 1.57 -1.78 -1.26 116.57 122.92 1x6g h LYS 23 Ca -0.28 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 58.01 1x6g h LYS 23 Cb 1.11 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.29 1x6g h LYS 23 CO 0.99 0.16 -0.51 0.00 -0.57 0.00 0.00 179.45 179.52 1x6g s GLU 25 N -3.62 2.67 -0.26 0.00 -1.05 -1.26 -3.59 118.70 111.59 1x6g s GLU 25 Ca 0.33 -0.67 -0.00 0.00 -0.15 0.00 0.00 54.97 54.48 1x6g s GLU 25 Cb 0.03 -2.59 0.08 0.00 -0.44 0.00 0.00 34.13 31.21 1x6g s GLU 25 CO 0.21 0.61 0.03 -1.58 0.95 0.00 0.00 175.26 175.48 1x6g s HIS 26 N -1.05 2.07 -0.19 4.83 2.46 0.48 -4.86 115.29 119.03 1x6g s HIS 26 Ca 0.18 -1.73 -0.18 0.00 0.47 0.00 0.00 55.06 53.80 1x6g s HIS 26 Cb -0.11 -1.68 -0.21 0.00 -0.13 0.00 0.00 32.58 30.45 1x6g s HIS 26 CO 0.09 -0.80 0.24 0.25 -2.47 0.00 0.00 174.74 172.05 1x6g n THR 27 N 4.75 1.59 -3.86 0.89 -2.24 -1.25 0.11 114.28 114.28 1x6g n THR 27 Ca -0.06 -0.17 -0.33 0.00 -2.27 0.00 0.00 64.05 61.23 1x6g n THR 27 Cb 0.44 -1.98 -0.12 0.00 -2.10 0.00 0.00 70.33 66.57 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 -2.41 2.18 1.07 -0.78 1.81 -1.26 -4.80 118.95 114.76 1x6g s ARG 28 Ca -0.28 -2.55 -0.17 0.00 -1.72 0.00 0.00 55.73 51.01 1x6g s ARG 28 Cb 0.06 -3.48 0.23 0.00 -0.45 0.00 0.00 34.95 31.32 1x6g s ARG 28 CO 0.63 -1.13 1.21 -1.25 -0.68 0.00 0.00 175.30 174.09 1x6g s PRO 29 N -0.14 -0.17 1.20 3.54 0.04 -1.26 -5.05 135.00 133.17 1x6g s PRO 29 Ca 0.17 -0.21 -0.17 0.00 0.04 0.00 0.00 61.00 60.82 1x6g s PRO 29 Cb -0.23 -1.73 0.28 0.00 0.04 0.00 0.00 34.50 32.86 1x6g s PRO 29 CO -0.02 -2.99 1.05 0.15 0.04 0.00 0.00 177.00 175.24 1x6g s LYS 30 N -5.63 -1.23 -0.86 4.56 1.02 -1.26 -4.86 119.74 111.48 1x6g s LYS 30 Ca 0.72 0.25 -0.25 0.00 0.02 0.00 0.00 55.97 56.71 1x6g s LYS 30 Cb -0.07 -1.57 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1x6g s LYS 30 CO 0.54 -3.78 1.65 -1.25 -0.92 0.00 0.00 175.35 171.59 1x6g s PRO 31 N -5.07 3.02 0.00 -1.68 0.04 -1.26 -2.29 135.00 127.75 1x6g s PRO 31 Ca 0.69 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1x6g s PRO 31 Cb -0.15 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1x6g s PRO 31 CO 0.58 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 175.37 1x6g n GLY 32 N 6.39 1.82 3.75 0.56 0.00 -1.26 -5.13 105.19 111.32 1x6g n GLY 32 Ca 0.28 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.97 1x6g n GLY 32 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1x6g n GLU 33 N -0.43 0.73 -4.12 1.61 1.02 -0.97 -4.80 120.64 113.69 1x6g n GLU 33 Ca 0.00 -3.76 -0.29 0.00 -0.02 0.00 0.00 57.16 53.09 1x6g n GLU 33 Cb 0.00 0.94 -0.07 0.00 -0.02 0.00 0.00 31.44 32.29 1x6g n GLU 33 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1x6g s LEU 34 N 0.00 3.58 -0.00 -4.62 2.96 -1.26 -4.85 118.68 114.49 1x6g s LEU 34 Ca 0.04 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 1x6g s LEU 34 Cb -0.00 -2.26 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 1x6g s LEU 34 CO 0.02 0.13 -0.07 0.00 -1.32 0.00 0.00 176.35 175.12 1x6g s ALA 35 N -1.50 3.02 0.35 5.97 0.00 -1.26 -4.61 121.76 123.73 1x6g s ALA 35 Ca 0.28 -1.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 1x6g s ALA 35 Cb -0.11 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 21.90 1x6g s ALA 35 CO 0.20 0.61 0.62 -0.59 0.00 0.00 0.00 175.76 176.61 1x6g s PHE 36 N -0.99 0.52 0.47 0.00 -0.12 0.31 -4.99 117.98 113.19 1x6g s PHE 36 Ca 0.17 -0.97 0.05 0.00 -0.05 0.00 0.00 56.93 56.12 1x6g s PHE 36 Cb -0.11 0.38 0.05 0.00 -0.63 0.00 0.00 43.02 42.71 1x6g s PHE 36 CO 0.07 -1.32 0.39 0.54 -0.05 0.00 0.00 175.22 174.86 1x6g n ARG 37 N -0.53 0.78 -3.00 1.99 5.12 -1.26 0.18 116.66 119.94 1x6g n ARG 37 Ca -0.04 -2.92 -0.42 0.00 -1.93 0.00 0.00 57.85 52.55 1x6g n ARG 37 Cb 0.61 0.25 -0.06 0.00 -1.16 0.00 0.00 32.46 32.11 1x6g n ARG 37 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 1x6g s LYS 38 N -3.97 3.66 0.00 5.56 2.20 -1.24 -3.91 119.74 122.04 1x6g s LYS 38 Ca 0.30 0.15 0.00 0.00 -0.36 0.00 0.00 55.97 56.06 1x6g s LYS 38 Cb -0.02 -3.84 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 1x6g s LYS 38 CO 0.19 -0.87 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 1x6g n GLY 39 N 4.66 0.79 3.73 5.54 0.00 -0.48 -4.93 105.19 114.51 1x6g n GLY 39 Ca 0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.86 5.47 -0.00 1.61 1.01 -1.25 -4.86 116.67 116.78 1x6g s ASP 40 Ca 0.00 0.15 -0.20 0.00 0.71 0.00 0.00 52.55 53.21 1x6g s ASP 40 Cb 0.00 -1.55 -0.05 0.00 1.01 0.00 0.00 42.92 42.32 1x6g s ASP 40 CO 0.00 0.33 0.56 -0.69 0.21 0.00 0.00 175.17 175.58 1x6g s VAL 41 N -1.04 4.92 0.05 -1.27 1.01 -1.26 -3.10 120.40 119.70 1x6g s VAL 41 Ca 0.18 1.18 -0.10 0.00 0.00 0.00 0.00 61.98 63.23 1x6g s VAL 41 Cb -0.12 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.38 1x6g s VAL 41 CO 0.08 0.45 0.22 0.68 0.00 0.00 0.00 175.10 176.53 1x6g s VAL 42 N -0.35 0.11 -0.05 2.92 -7.23 -1.03 -3.34 120.40 111.44 1x6g s VAL 42 Ca 0.29 -0.87 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 1x6g s VAL 42 Cb -0.18 -0.97 -0.03 0.00 0.56 0.00 0.00 36.38 35.76 1x6g s VAL 42 CO 0.16 -0.48 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.51 1x6g s THR 43 N -2.73 3.69 -0.59 5.32 2.01 -1.16 -1.75 115.64 120.43 1x6g s THR 43 Ca -0.04 -0.56 -0.28 0.00 0.31 0.00 0.00 61.69 61.13 1x6g s THR 43 Cb -0.00 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.99 1x6g s THR 43 CO -0.05 0.54 1.41 -0.63 -0.69 0.00 0.00 174.62 175.21 1x6g s ILE 44 N -0.86 3.77 0.00 1.82 -1.09 -0.56 -1.37 121.20 122.91 1x6g s ILE 44 Ca 0.14 0.62 -0.24 0.00 -2.23 0.00 0.00 60.65 58.94 1x6g s ILE 44 Cb -0.11 -4.49 -0.13 0.00 -1.58 0.00 0.00 42.46 36.15 1x6g s ILE 44 CO 0.03 -1.25 0.98 -0.07 -1.23 0.00 0.00 174.94 173.40 1x6g h LEU 45 N 13.21 -0.72 -7.64 2.97 3.38 -1.22 0.63 115.31 125.92 1x6g h LEU 45 Ca -0.27 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.39 1x6g h LEU 45 Cb 1.09 0.19 -0.33 0.00 0.09 0.00 0.00 40.66 41.69 1x6g h LEU 45 CO 1.19 -0.33 -0.75 -0.70 0.09 0.00 0.00 178.44 177.94 1x6g s GLU 46 N -4.32 0.33 -0.41 1.13 2.12 -1.14 -4.69 118.70 111.72 1x6g s GLU 46 Ca -0.12 0.04 -0.20 0.00 0.36 0.00 0.00 54.97 55.05 1x6g s GLU 46 Cb 0.01 -0.48 0.02 0.00 0.26 0.00 0.00 34.13 33.94 1x6g s GLU 46 CO 0.37 -0.11 0.62 0.00 -0.54 0.00 0.00 175.26 175.60 1x6g s ALA 47 N 0.90 3.39 0.00 6.30 0.00 -1.26 -3.83 121.76 127.26 1x6g s ALA 47 Ca -0.09 -1.11 0.00 0.00 0.00 0.00 0.00 51.96 50.76 1x6g s ALA 47 Cb -0.13 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1x6g s ALA 47 CO -0.01 -1.60 0.00 0.00 0.00 0.00 0.00 175.76 174.14 1x6g n GLU 49 N 0.00 0.00 0.00 0.00 -0.58 -1.26 -2.18 120.64 116.62 1x6g n GLU 49 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1x6g n GLU 49 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1x6g n GLU 49 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1x6g n ASN 50 N 1.55 0.00 -3.57 1.62 2.85 -1.26 -4.97 115.26 111.48 1x6g n ASN 50 Ca 0.00 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.25 1x6g n ASN 50 Cb 0.00 0.00 0.01 0.00 1.24 0.00 0.00 39.78 41.03 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 0.00 -1.61 0.00 1.20 5.02 -0.93 -4.58 118.16 117.26 1x6g n LYS 51 Ca 0.00 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.36 1x6g n LYS 51 Cb 0.00 -3.06 0.00 0.00 -0.02 0.00 0.00 35.03 31.95 1x6g n LYS 51 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x6g n SER 52 N -1.96 0.00 -4.46 4.39 7.64 -1.26 -5.08 113.62 112.89 1x6g n SER 52 Ca -0.20 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.45 1x6g n SER 52 Cb 0.65 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.74 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 0.00 2.07 -0.15 1.43 0.52 -1.26 0.14 118.94 121.69 1x6g s TRP 53 Ca 0.00 -0.63 -0.07 0.00 0.02 0.00 0.00 56.10 55.42 1x6g s TRP 53 Cb 0.00 -1.16 0.06 0.00 -1.15 0.00 0.00 33.47 31.22 1x6g s TRP 53 CO 0.00 0.38 0.36 0.71 0.02 0.00 0.00 176.95 178.42 1x6g s TYR 54 N -2.88 -0.55 -0.51 -1.98 2.02 0.80 -4.31 117.35 109.94 1x6g s TYR 54 Ca 0.30 1.17 -0.26 0.00 -0.37 0.00 0.00 57.07 57.91 1x6g s TYR 54 Cb 0.03 0.19 0.03 0.00 -0.40 0.00 0.00 41.96 41.81 1x6g s TYR 54 CO 0.13 -0.34 1.02 0.50 -1.57 0.00 0.00 175.55 175.29 1x6g s ARG 55 N 1.67 3.51 0.51 -0.62 3.52 -1.25 -0.00 118.95 126.29 1x6g s ARG 55 Ca -0.07 0.15 0.02 0.00 -0.13 0.00 0.00 55.73 55.70 1x6g s ARG 55 Cb -0.10 -3.97 -0.01 0.00 -1.56 0.00 0.00 34.95 29.31 1x6g s ARG 55 CO -0.11 -1.41 0.07 0.14 -0.81 0.00 0.00 175.30 173.18 1x6g s VAL 56 N 4.17 1.30 -0.12 7.11 -7.23 -1.02 -0.69 120.40 123.93 1x6g s VAL 56 Ca 0.39 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.68 1x6g s VAL 56 Cb -0.10 -2.21 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1x6g s VAL 56 CO 0.25 0.00 -0.21 -0.75 -0.31 0.00 0.00 175.10 174.08 1x6g s LYS 57 N -3.94 2.86 -0.18 4.82 2.20 -0.47 -2.96 119.74 122.08 1x6g s LYS 57 Ca 0.12 -0.80 -0.29 0.00 -0.36 0.00 0.00 55.97 54.64 1x6g s LYS 57 Cb 0.01 -2.27 -0.01 0.00 -1.51 0.00 0.00 37.83 34.05 1x6g s LYS 57 CO 0.07 0.04 1.26 -1.58 -0.36 0.00 0.00 175.35 174.78 1x6g s HIS 58 N 0.68 2.85 0.05 4.03 5.65 -0.35 -2.97 115.29 125.22 1x6g s HIS 58 Ca -0.11 1.01 -0.24 0.00 0.25 0.00 0.00 55.06 55.96 1x6g s HIS 58 Cb -0.16 -3.53 -0.17 0.00 -1.18 0.00 0.00 32.58 27.54 1x6g s HIS 58 CO 0.02 -1.67 1.57 0.45 -0.65 0.00 0.00 174.74 174.46 1x6g h HIS 59 N 8.27 -0.04 0.45 3.88 3.86 -1.89 1.45 115.15 131.14 1x6g h HIS 59 Ca -0.26 -0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.93 1x6g h HIS 59 Cb 1.10 0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.59 1x6g h HIS 59 CO 0.80 0.14 -0.22 1.15 0.86 0.00 0.00 177.93 180.67 1x6g h THR 60 N -0.21 0.00 0.60 2.45 2.02 -1.91 -3.32 112.91 112.54 1x6g h THR 60 Ca -0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 66.41 67.02 1x6g h THR 60 Cb 0.19 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1x6g h THR 60 CO 0.01 0.00 -0.41 0.28 0.37 0.00 0.00 175.52 175.77 1x6g h SER 61 N -0.74 -1.05 0.00 4.18 0.02 -1.95 -3.47 113.55 110.53 1x6g h SER 61 Ca -0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1x6g h SER 61 Cb 0.46 0.32 0.00 0.00 0.14 0.00 0.00 62.40 63.32 1x6g h SER 61 CO 0.10 -0.62 0.00 0.61 -1.14 0.00 0.00 176.83 175.78 1x6g n GLY 62 N -1.54 0.91 3.60 -3.77 0.00 0.50 -5.02 105.19 99.87 1x6g n GLY 62 Ca -0.13 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.16 0.68 -3.96 1.61 6.02 -1.24 -4.82 117.38 113.51 1x6g n GLN 63 Ca 0.00 -3.05 -0.26 0.00 -0.01 0.00 0.00 57.00 53.67 1x6g n GLN 63 Cb 0.00 0.05 -0.17 0.00 1.02 0.00 0.00 30.24 31.14 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 -4.29 1.48 0.33 -1.09 2.02 -1.26 -1.21 118.70 114.67 1x6g s GLU 64 Ca 0.44 -0.24 0.03 0.00 0.02 0.00 0.00 54.97 55.21 1x6g s GLU 64 Cb -0.03 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.66 1x6g s GLU 64 CO 0.28 -0.24 0.34 0.20 0.02 0.00 0.00 175.26 175.86 1x6g s GLY 65 N 1.61 1.96 0.01 -1.39 0.00 -1.15 -4.91 107.32 103.44 1x6g s GLY 65 Ca 0.03 -1.84 -0.18 0.00 0.00 0.00 0.00 44.72 42.73 1x6g s GLY 65 CO -0.07 -1.29 0.51 1.08 0.00 0.00 0.00 173.10 173.33 1x6g s LEU 66 N -3.31 4.46 0.21 0.66 1.43 -1.26 -2.43 118.68 118.44 1x6g s LEU 66 Ca 0.37 1.09 0.11 0.00 -1.03 0.00 0.00 54.13 54.67 1x6g s LEU 66 Cb 0.02 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1x6g s LEU 66 CO 0.24 0.22 -0.19 -0.76 0.23 0.00 0.00 176.35 176.09 1x6g s LEU 67 N -0.70 2.61 -0.18 1.79 1.43 0.99 -4.33 118.68 120.29 1x6g s LEU 67 Ca 0.27 -0.84 -0.29 0.00 -1.03 0.00 0.00 54.13 52.24 1x6g s LEU 67 Cb -0.18 -1.27 -0.00 0.00 0.03 0.00 0.00 46.19 44.76 1x6g s LEU 67 CO 0.16 0.09 1.14 0.00 0.23 0.00 0.00 176.35 177.97 1x6g s ALA 68 N -1.89 3.65 0.42 4.21 0.00 -1.26 -0.14 121.76 126.73 1x6g s ALA 68 Ca 0.24 0.34 0.39 0.00 0.00 0.00 0.00 51.96 52.92 1x6g s ALA 68 Cb -0.07 -3.57 2.07 0.00 0.00 0.00 0.00 23.12 21.54 1x6g s ALA 68 CO 0.12 -1.05 2.18 0.00 0.00 0.00 0.00 175.76 177.02 1x6g h ALA 69 N 7.74 1.00 -0.02 0.00 0.00 0.99 0.41 119.26 129.38 1x6g h ALA 69 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1x6g h ALA 69 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1x6g h ALA 69 CO 0.96 0.00 -0.37 0.41 0.00 0.00 0.00 179.25 180.25 1x6g n GLY 70 N -1.03 0.15 0.77 0.00 0.00 -1.26 -4.02 105.19 99.80 1x6g n GLY 70 Ca -0.02 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.44 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 0.17 3.01 -2.44 4.61 0.00 0.14 -4.98 120.51 121.03 1x6g n ALA 71 Ca 0.10 -2.47 -0.29 0.00 0.00 0.00 0.00 53.44 50.78 1x6g n ALA 71 Cb 0.48 -0.65 -0.12 0.00 0.00 0.00 0.00 19.45 19.16 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 -2.89 2.51 0.20 0.00 1.43 -0.99 -2.29 118.68 116.65 1x6g s LEU 72 Ca 0.41 -0.68 -0.05 0.00 -1.03 0.00 0.00 54.13 52.78 1x6g s LEU 72 Cb 0.34 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1x6g s LEU 72 CO 0.07 0.17 0.24 0.00 0.23 0.00 0.00 176.35 177.06 1x6g s ARG 73 N -2.18 1.27 -0.36 1.70 1.04 0.31 -4.84 118.95 115.89 1x6g s ARG 73 Ca 0.17 -1.46 -0.22 0.00 -1.04 0.00 0.00 55.73 53.18 1x6g s ARG 73 Cb -0.10 0.34 0.01 0.00 -2.04 0.00 0.00 34.95 33.15 1x6g s ARG 73 CO 0.08 -0.46 0.71 -2.00 -0.04 0.00 0.00 175.30 173.60 1x6g s GLU 74 N -4.09 3.70 -0.29 3.89 2.12 -1.26 -0.09 118.70 122.69 1x6g s GLU 74 Ca 0.31 0.17 -0.35 0.00 0.36 0.00 0.00 54.97 55.46 1x6g s GLU 74 Cb 0.04 -3.81 -0.11 0.00 0.26 0.00 0.00 34.13 30.51 1x6g s GLU 74 CO 0.09 -0.81 2.09 -2.13 -0.54 0.00 0.00 175.26 173.97 1x6g n ARG 75 N 6.25 1.34 -3.68 4.30 0.63 -1.25 -4.86 116.66 119.38 1x6g n ARG 75 Ca 0.01 0.41 -0.37 0.00 -0.92 0.00 0.00 57.85 56.98 1x6g n ARG 75 Cb 0.48 -2.52 -0.06 0.00 0.45 0.00 0.00 32.46 30.82 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 6.45 6.60 0.00 6.15 1.04 -1.26 -5.05 113.70 127.63 1x6g s SER 76 Ca 1.05 0.71 0.00 0.00 0.48 0.00 0.00 55.95 58.19 1x6g s SER 76 Cb -0.81 -2.16 0.00 0.00 0.10 0.00 0.00 66.02 63.15 1x6g s SER 76 CO 0.50 0.34 0.00 0.61 0.98 0.00 0.00 173.24 175.67 1x6g n GLY 77 N 1.74 0.75 3.81 7.32 0.00 -1.26 -5.17 105.19 112.39 1x6g n GLY 77 Ca -0.16 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.54 2.61 -0.51 1.61 0.04 -1.26 -4.86 135.00 131.08 1x6g s PRO 78 Ca 0.00 0.83 -0.35 0.00 0.04 0.00 0.00 61.00 61.52 1x6g s PRO 78 Cb 0.00 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 1x6g s PRO 78 CO 0.00 -1.30 2.30 0.45 0.04 0.00 0.00 177.00 178.49 1x6g n SER 79 N -3.25 1.57 -3.88 6.66 2.88 -1.26 -4.87 113.62 111.47 1x6g n SER 79 Ca 0.07 0.30 -0.30 0.00 -1.33 0.00 0.00 58.87 57.62 1x6g n SER 79 Cb 0.55 -1.17 -0.14 0.00 -0.75 0.00 0.00 64.21 62.69 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 7.99 4.24 0.00 -3.46 0.15 -1.26 -5.33 113.70 116.02 1x6g s SER 80 Ca 1.15 -2.50 0.00 0.00 0.70 0.00 0.00 55.95 55.30 1x6g s SER 80 Cb -0.96 -1.38 0.00 0.00 -1.71 0.00 0.00 66.02 61.96 1x6g s SER 80 CO 0.49 -0.30 0.00 0.61 1.20 0.00 0.00 173.24 175.24