#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t6w n ASP 2 N 0.00 0.00 -4.68 6.15 -0.08 -1.26 -5.11 116.55 111.57 1t6w n ASP 2 Ca 0.00 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 52.84 1t6w n ASP 2 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1t6w n ASP 2 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1t6w n SER 3 N -0.64 3.76 0.00 1.67 2.88 -1.26 -4.62 113.62 115.41 1t6w n SER 3 Ca 0.00 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 1t6w n SER 3 Cb 0.00 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 1t6w n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t6w n GLY 4 N 4.10 -0.10 3.43 0.46 0.00 -1.26 -4.95 105.19 106.87 1t6w n GLY 4 Ca 0.19 -1.46 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1t6w n GLY 4 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1t6w n THR 5 N 0.00 1.59 -4.02 2.61 -1.04 -1.26 -3.50 114.28 108.66 1t6w n THR 5 Ca 0.00 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.05 61.38 1t6w n THR 5 Cb 0.00 -0.44 -0.13 0.00 -1.82 0.00 0.00 70.33 67.94 1t6w n THR 5 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1t6w s VAL 6 N -1.50 0.27 -0.14 12.58 0.11 0.15 -4.81 120.40 127.06 1t6w s VAL 6 Ca 0.63 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 59.14 1t6w s VAL 6 Cb -0.61 -0.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.92 1t6w s VAL 6 CO 0.59 -0.17 -0.10 0.26 -3.33 0.00 0.00 175.10 172.35 1t6w s TRP 7 N -0.68 2.87 0.35 1.54 0.52 -1.26 -1.09 118.94 121.20 1t6w s TRP 7 Ca -0.05 -0.56 -0.10 0.00 0.02 0.00 0.00 56.10 55.41 1t6w s TRP 7 Cb -0.05 -1.88 0.03 0.00 -1.15 0.00 0.00 33.47 30.41 1t6w s TRP 7 CO -0.00 -0.18 0.62 0.20 0.02 0.00 0.00 176.95 177.61 1t6w s GLY 8 N 0.40 0.87 -0.05 0.98 0.00 -0.41 -5.00 107.32 104.11 1t6w s GLY 8 Ca -0.08 -1.09 0.06 0.00 0.00 0.00 0.00 44.72 43.60 1t6w s GLY 8 CO 0.05 -0.64 -0.23 0.00 0.00 0.00 0.00 173.10 172.28 1t6w s ALA 9 N -2.84 1.98 0.16 3.20 0.00 -1.26 0.24 121.76 123.24 1t6w s ALA 9 Ca 0.23 -0.95 -0.33 0.00 0.00 0.00 0.00 51.96 50.90 1t6w s ALA 9 Cb -0.03 -0.62 -0.13 0.00 0.00 0.00 0.00 23.12 22.35 1t6w s ALA 9 CO 0.15 0.38 1.65 -0.11 0.00 0.00 0.00 175.76 177.83 1t6w n LEU 10 N 2.97 3.43 0.00 0.00 7.94 -0.59 -1.00 117.00 129.76 1t6w n LEU 10 Ca -0.17 1.07 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 1t6w n LEU 10 Cb 0.52 -1.48 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1t6w n LEU 10 CO 0.25 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1t6w n GLY 11 N 3.66 0.89 3.85 -3.96 0.00 0.49 -4.82 105.19 105.30 1t6w n GLY 11 Ca 0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.97 1t6w n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t6w s HIS 12 N -2.57 2.73 0.67 1.61 5.65 -0.17 -4.50 115.29 118.71 1t6w s HIS 12 Ca 0.00 -0.46 -0.11 0.00 0.25 0.00 0.00 55.06 54.74 1t6w s HIS 12 Cb 0.00 -2.04 -0.01 0.00 -1.18 0.00 0.00 32.58 29.35 1t6w s HIS 12 CO 0.00 0.01 1.05 0.20 -0.65 0.00 0.00 174.74 175.35 1t6w s GLY 13 N -4.06 1.66 -0.29 1.59 0.00 -1.26 -1.44 107.32 103.52 1t6w s GLY 13 Ca 0.45 -0.05 -0.23 0.00 0.00 0.00 0.00 44.72 44.89 1t6w s GLY 13 CO 0.27 0.25 1.32 -1.50 0.00 0.00 0.00 173.10 173.44 1t6w s ILE 14 N -3.14 0.00 -0.12 0.90 1.10 -1.19 -4.82 121.20 113.93 1t6w s ILE 14 Ca 0.57 0.00 0.02 0.00 -0.51 0.00 0.00 60.65 60.73 1t6w s ILE 14 Cb -0.12 -1.00 -0.00 0.00 0.15 0.00 0.00 42.46 41.48 1t6w s ILE 14 CO 0.54 0.00 -0.20 -0.62 -2.11 0.00 0.00 174.94 172.55 1t6w s ASP 15 N 0.28 3.42 -0.54 4.50 -1.08 -1.26 -1.17 116.67 120.81 1t6w s ASP 15 Ca 0.04 -0.49 -0.24 0.00 -0.52 0.00 0.00 52.55 51.34 1t6w s ASP 15 Cb -0.05 -1.49 0.04 0.00 -1.46 0.00 0.00 42.92 39.97 1t6w s ASP 15 CO -0.13 0.15 0.93 -0.76 0.52 0.00 0.00 175.17 175.88 1t6w s LEU 16 N 0.42 4.13 -0.15 -1.34 1.02 -0.48 -4.95 118.68 117.33 1t6w s LEU 16 Ca -0.15 -0.34 -0.21 0.00 0.02 0.00 0.00 54.13 53.45 1t6w s LEU 16 Cb -0.17 -2.84 -0.03 0.00 0.02 0.00 0.00 46.19 43.17 1t6w s LEU 16 CO 0.06 -1.20 0.63 -1.81 0.02 0.00 0.00 176.35 174.06 1t6w s ASP 17 N 2.79 6.78 -0.24 2.29 1.01 -1.26 -3.00 116.67 125.04 1t6w s ASP 17 Ca 0.30 0.94 -0.28 0.00 0.71 0.00 0.00 52.55 54.22 1t6w s ASP 17 Cb -0.13 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.45 1t6w s ASP 17 CO 0.19 -0.19 1.01 -0.63 0.21 0.00 0.00 175.17 175.76 1t6w s ILE 18 N 1.41 4.70 0.23 0.77 1.01 -1.26 -4.40 121.20 123.66 1t6w s ILE 18 Ca 0.31 1.94 -0.31 0.00 0.00 0.00 0.00 60.65 62.59 1t6w s ILE 18 Cb -0.16 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.91 1t6w s ILE 18 CO 0.12 -0.18 1.69 -2.84 0.00 0.00 0.00 174.94 173.74 1t6w s PRO 19 N 3.17 4.12 -0.99 2.79 0.02 -1.26 -3.58 135.00 139.27 1t6w s PRO 19 Ca 0.43 2.60 -0.14 0.00 0.02 0.00 0.00 61.00 63.90 1t6w s PRO 19 Cb -0.15 -3.06 0.01 0.00 0.02 0.00 0.00 34.50 31.32 1t6w s PRO 19 CO 0.07 -0.72 0.66 0.09 -0.33 0.00 0.00 177.00 176.77 1t6w n ASN 20 N 3.54 -4.92 -3.93 2.53 4.13 -1.26 -4.98 115.26 110.37 1t6w n ASN 20 Ca 0.14 -1.02 -0.10 0.00 1.68 0.00 0.00 54.58 55.29 1t6w n ASN 20 Cb 0.36 -2.19 -0.10 0.00 -1.54 0.00 0.00 39.78 36.31 1t6w n ASN 20 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1t6w s PHE 21 N -3.23 0.17 -0.12 3.10 5.36 -1.23 -5.06 117.98 116.96 1t6w s PHE 21 Ca 0.23 -0.38 -0.04 0.00 -0.96 0.00 0.00 56.93 55.78 1t6w s PHE 21 Cb -0.11 -0.13 0.06 0.00 -0.34 0.00 0.00 43.02 42.49 1t6w s PHE 21 CO 0.91 -0.27 0.13 -0.65 -1.46 0.00 0.00 175.22 173.87 1t6w s GLN 22 N -1.75 0.05 -1.20 10.12 -0.21 -1.26 -5.02 119.66 120.39 1t6w s GLN 22 Ca -0.13 0.25 -0.20 0.00 0.02 0.00 0.00 55.36 55.31 1t6w s GLN 22 Cb -0.07 -0.99 0.05 0.00 1.00 0.00 0.00 33.01 33.01 1t6w s GLN 22 CO -0.01 -0.49 1.67 1.41 -2.12 0.00 0.00 175.29 175.74 1t6w s MET 23 N 2.23 3.77 0.22 2.91 -2.45 -1.08 -4.72 119.30 120.16 1t6w s MET 23 Ca 0.04 -1.66 0.00 0.00 -1.25 0.00 0.00 55.69 52.83 1t6w s MET 23 Cb -0.14 -5.46 0.00 0.00 1.25 0.00 0.00 34.83 30.48 1t6w s MET 23 CO -0.07 -2.35 0.03 0.25 1.05 0.00 0.00 175.02 173.93 1t6w n THR 24 N 6.65 0.00 0.07 10.11 -2.24 -1.26 -4.83 114.28 122.77 1t6w n THR 24 Ca 0.44 -1.00 0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1t6w n THR 24 Cb 0.48 0.11 0.68 0.00 -2.10 0.00 0.00 70.33 69.49 1t6w n THR 24 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1t6w h ASP 25 N 0.47 0.00 0.22 3.42 5.19 -2.03 0.10 116.42 123.80 1t6w h ASP 25 Ca -0.17 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.21 1t6w h ASP 25 Cb 0.54 -0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.05 1t6w h ASP 25 CO 0.28 0.00 -0.14 -0.78 -3.12 0.00 0.00 179.24 175.48 1t6w h ASP 26 N 0.00 0.00 -3.37 6.45 3.58 -1.95 -3.41 116.42 117.73 1t6w h ASP 26 Ca 0.19 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.06 1t6w h ASP 26 Cb 0.75 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.73 1t6w h ASP 26 CO -0.00 0.14 0.13 -0.63 -2.88 0.00 0.00 179.24 176.00 1t6w s ILE 27 N -4.50 5.02 -0.09 2.25 -1.09 0.36 -2.79 121.20 120.37 1t6w s ILE 27 Ca -0.04 1.36 -0.01 0.00 -2.23 0.00 0.00 60.65 59.74 1t6w s ILE 27 Cb 0.15 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.96 1t6w s ILE 27 CO 0.65 0.18 -0.09 -0.67 -1.23 0.00 0.00 174.94 173.78 1t6w n ASP 28 N 4.38 2.73 -4.01 3.58 2.03 -0.08 -4.77 116.55 120.42 1t6w n ASP 28 Ca -0.01 -0.01 -0.30 0.00 0.52 0.00 0.00 54.79 54.99 1t6w n ASP 28 Cb 0.50 -0.17 -0.16 0.00 -0.72 0.00 0.00 41.12 40.57 1t6w n ASP 28 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1t6w s GLU 29 N -2.18 2.19 -0.21 -0.67 2.12 -1.04 -2.29 118.70 116.63 1t6w s GLU 29 Ca -0.13 -0.63 0.01 0.00 0.36 0.00 0.00 54.97 54.59 1t6w s GLU 29 Cb 0.04 -2.18 0.04 0.00 0.26 0.00 0.00 34.13 32.28 1t6w s GLU 29 CO 0.20 -0.30 -0.13 0.08 -0.54 0.00 0.00 175.26 174.58 1t6w s VAL 30 N 1.47 1.84 -0.07 3.70 1.01 -0.72 -0.10 120.40 127.54 1t6w s VAL 30 Ca 0.03 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.93 1t6w s VAL 30 Cb -0.14 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.36 1t6w s VAL 30 CO -0.10 0.22 -0.15 0.00 0.00 0.00 0.00 175.10 175.07 1t6w s ARG 31 N 1.31 2.71 -0.74 2.72 1.70 -1.14 0.14 118.95 125.64 1t6w s ARG 31 Ca -0.01 -0.71 -0.02 0.00 -0.47 0.00 0.00 55.73 54.52 1t6w s ARG 31 Cb -0.16 -2.42 0.19 0.00 -0.57 0.00 0.00 34.95 31.99 1t6w s ARG 31 CO -0.09 0.51 0.58 -1.58 -1.08 0.00 0.00 175.30 173.65 1t6w s TRP 32 N -0.44 3.61 -0.03 5.89 0.52 0.38 -2.00 118.94 126.87 1t6w s TRP 32 Ca 0.05 -2.89 -0.08 0.00 0.02 0.00 0.00 56.10 53.20 1t6w s TRP 32 Cb -0.12 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 28.97 1t6w s TRP 32 CO 0.02 -0.78 0.26 -1.21 0.02 0.00 0.00 176.95 175.27 1t6w s GLU 33 N -0.69 3.61 -0.11 4.98 2.02 -0.25 -1.50 118.70 126.76 1t6w s GLU 33 Ca 0.22 0.01 -0.01 0.00 0.02 0.00 0.00 54.97 55.21 1t6w s GLU 33 Cb -0.14 -3.14 0.03 0.00 0.10 0.00 0.00 34.13 30.99 1t6w s GLU 33 CO -0.08 0.69 -0.03 0.50 0.02 0.00 0.00 175.26 176.37 1t6w s ARG 34 N -1.42 1.00 6.09 1.61 3.52 -0.61 -0.72 118.95 128.43 1t6w s ARG 34 Ca 0.23 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.71 1t6w s ARG 34 Cb -0.14 -1.39 0.00 0.00 -1.56 0.00 0.00 34.95 31.86 1t6w s ARG 34 CO 0.12 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 174.68 1t6w n GLY 35 N 5.04 2.54 2.25 8.12 0.00 -1.26 -1.47 105.19 120.42 1t6w n GLY 35 Ca -0.10 0.32 -0.26 0.00 0.00 0.00 0.00 46.02 45.99 1t6w n GLY 35 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t6w n SER 36 N 9.90 4.87 -3.58 1.61 7.64 -1.26 -5.03 113.62 127.77 1t6w n SER 36 Ca 0.00 -3.74 -0.11 0.00 1.01 0.00 0.00 58.87 56.03 1t6w n SER 36 Cb 0.00 -0.41 -0.04 0.00 -1.01 0.00 0.00 64.21 62.75 1t6w n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1t6w s THR 37 N -5.06 0.05 0.05 0.44 2.01 -0.54 -5.17 115.64 107.42 1t6w s THR 37 Ca 0.50 -0.42 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1t6w s THR 37 Cb 0.41 -1.11 -0.05 0.00 0.01 0.00 0.00 72.50 71.76 1t6w s THR 37 CO -0.08 -0.23 0.27 -0.76 -0.69 0.00 0.00 174.62 173.13 1t6w s LEU 38 N -2.74 4.34 -0.01 4.42 1.43 -1.26 -1.57 118.68 123.29 1t6w s LEU 38 Ca 0.02 0.48 -0.00 0.00 -1.03 0.00 0.00 54.13 53.60 1t6w s LEU 38 Cb 0.01 -2.89 -0.01 0.00 0.03 0.00 0.00 46.19 43.33 1t6w s LEU 38 CO -0.12 0.19 -0.01 0.52 0.23 0.00 0.00 176.35 177.16 1t6w n VAL 39 N 0.66 0.07 -3.23 -1.59 0.31 -0.56 -4.65 118.33 109.33 1t6w n VAL 39 Ca -0.08 -0.02 0.04 0.00 -0.01 0.00 0.00 64.34 64.27 1t6w n VAL 39 Cb 0.52 -0.84 -0.03 0.00 -0.91 0.00 0.00 33.84 32.58 1t6w n VAL 39 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t6w s ALA 40 N -2.02 -3.14 0.18 3.52 0.00 -1.18 -1.34 121.76 117.78 1t6w s ALA 40 Ca -0.02 1.69 0.09 0.00 0.00 0.00 0.00 51.96 53.72 1t6w s ALA 40 Cb 0.00 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 1t6w s ALA 40 CO 0.02 -1.23 -0.17 -1.83 0.00 0.00 0.00 175.76 172.55 1t6w s GLU 41 N 2.68 1.31 0.01 0.00 -1.05 -1.03 -0.47 118.70 120.15 1t6w s GLU 41 Ca -0.00 -1.47 0.05 0.00 -0.15 0.00 0.00 54.97 53.40 1t6w s GLU 41 Cb -0.08 -1.31 -0.02 0.00 -0.44 0.00 0.00 34.13 32.28 1t6w s GLU 41 CO -0.14 0.25 -0.17 0.12 0.95 0.00 0.00 175.26 176.28 1t6w s PHE 42 N -2.29 1.47 -0.19 4.83 2.19 0.36 -1.98 117.98 122.37 1t6w s PHE 42 Ca 0.18 -0.31 -0.04 0.00 0.33 0.00 0.00 56.93 57.09 1t6w s PHE 42 Cb -0.05 -0.92 0.09 0.00 -1.31 0.00 0.00 43.02 40.84 1t6w s PHE 42 CO 0.07 0.01 0.26 0.21 1.83 0.00 0.00 175.22 177.60 1t6w s LYS 43 N -0.70 0.20 0.11 10.12 2.20 -1.26 -1.75 119.74 128.66 1t6w s LYS 43 Ca 0.05 0.43 -0.34 0.00 -0.36 0.00 0.00 55.97 55.75 1t6w s LYS 43 Cb -0.07 -0.72 -0.13 0.00 -1.51 0.00 0.00 37.83 35.39 1t6w s LYS 43 CO 0.00 -0.54 1.56 -0.09 -0.36 0.00 0.00 175.35 175.93 1t6w h ARG 44 N 8.29 -0.72 -1.96 4.03 2.43 -1.84 -1.83 114.38 122.79 1t6w h ARG 44 Ca -0.16 0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 58.85 1t6w h ARG 44 Cb 1.14 0.16 -0.07 0.00 -0.42 0.00 0.00 29.97 30.78 1t6w h ARG 44 CO 0.23 -0.48 -0.10 1.63 -1.51 0.00 0.00 179.97 179.75 1t6w n LYS 45 N -5.49 1.79 -3.16 0.20 5.02 -1.26 -4.82 118.16 110.45 1t6w n LYS 45 Ca -0.08 -1.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.20 1t6w n LYS 45 Cb 0.41 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 1t6w n LYS 45 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1t6w n MET 46 N 1.80 -1.58 -4.39 1.97 2.81 -0.69 -5.16 117.12 111.89 1t6w n MET 46 Ca 0.32 0.00 -0.34 0.00 -1.81 0.00 0.00 57.70 55.87 1t6w n MET 46 Cb 0.73 0.00 -0.10 0.00 -0.71 0.00 0.00 33.22 33.14 1t6w n MET 46 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1t6w s LYS 47 N -0.67 2.91 0.64 0.03 -0.14 -1.26 -4.59 119.74 116.66 1t6w s LYS 47 Ca 0.00 -0.47 -0.15 0.00 -1.36 0.00 0.00 55.97 53.99 1t6w s LYS 47 Cb 0.00 -2.74 -0.01 0.00 -1.68 0.00 0.00 37.83 33.40 1t6w s LYS 47 CO 0.00 0.68 1.09 -1.25 -0.76 0.00 0.00 175.35 175.11 1t6w s PRO 48 N -1.02 2.99 -0.39 -1.68 0.04 -1.26 -4.65 135.00 129.03 1t6w s PRO 48 Ca 0.15 1.30 -0.04 0.00 0.04 0.00 0.00 61.00 62.44 1t6w s PRO 48 Cb -0.11 -1.98 0.09 0.00 0.04 0.00 0.00 34.50 32.53 1t6w s PRO 48 CO 0.04 -1.09 0.18 0.12 0.04 0.00 0.00 177.00 176.29 1t6w s PHE 49 N -2.42 3.45 -0.38 0.56 5.36 -0.84 -4.96 117.98 118.75 1t6w s PHE 49 Ca 0.65 -2.04 -0.18 0.00 -0.96 0.00 0.00 56.93 54.40 1t6w s PHE 49 Cb -0.19 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.59 1t6w s PHE 49 CO 0.41 -0.90 0.49 -0.51 -1.46 0.00 0.00 175.22 173.24 1t6w s LEU 50 N 1.25 4.53 0.24 6.12 1.43 -1.26 -2.47 118.68 128.52 1t6w s LEU 50 Ca 0.04 -0.29 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1t6w s LEU 50 Cb -0.22 -2.51 0.45 0.00 0.03 0.00 0.00 46.19 43.93 1t6w s LEU 50 CO -0.02 -0.53 1.66 0.50 0.23 0.00 0.00 176.35 178.19 1t6w h LYS 51 N 8.60 0.18 -1.66 1.70 3.64 -1.47 -3.45 116.57 124.10 1t6w h LYS 51 Ca -0.27 -0.01 0.26 0.00 -1.27 0.00 0.00 60.65 59.36 1t6w h LYS 51 Cb 1.12 -0.04 -0.14 0.00 -0.41 0.00 0.00 32.23 32.76 1t6w h LYS 51 CO 0.78 0.12 0.74 0.45 -2.27 0.00 0.00 179.45 179.28 1t6w s SER 52 N -5.21 -0.13 0.10 4.20 0.15 -1.26 -5.00 113.70 106.55 1t6w s SER 52 Ca -0.13 -0.12 0.05 0.00 0.70 0.00 0.00 55.95 56.45 1t6w s SER 52 Cb 0.22 0.22 0.28 0.00 -1.71 0.00 0.00 66.02 65.03 1t6w s SER 52 CO 0.75 -0.40 1.06 0.61 1.20 0.00 0.00 173.24 176.46 1t6w n GLY 53 N -0.35 -0.49 0.00 9.45 0.00 -1.26 -1.52 105.19 111.03 1t6w n GLY 53 Ca -0.06 0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1t6w n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t6w n ALA 54 N -1.47 2.30 -2.35 4.61 0.00 -1.26 -4.75 120.51 117.59 1t6w n ALA 54 Ca -0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 1t6w n ALA 54 Cb 0.14 -1.35 -0.10 0.00 0.00 0.00 0.00 19.45 18.14 1t6w n ALA 54 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1t6w s PHE 55 N -2.01 1.12 -0.19 0.00 0.08 -0.57 -1.33 117.98 115.08 1t6w s PHE 55 Ca 0.32 -0.73 -0.08 0.00 0.12 0.00 0.00 56.93 56.56 1t6w s PHE 55 Cb 0.15 -0.60 0.08 0.00 -0.57 0.00 0.00 43.02 42.08 1t6w s PHE 55 CO 0.25 0.01 0.42 -1.21 -0.10 0.00 0.00 175.22 174.59 1t6w s GLU 56 N -3.31 0.36 -0.60 0.44 2.02 -0.17 -4.90 118.70 112.53 1t6w s GLU 56 Ca 0.11 0.94 -0.25 0.00 0.02 0.00 0.00 54.97 55.78 1t6w s GLU 56 Cb 0.00 0.18 0.04 0.00 0.10 0.00 0.00 34.13 34.45 1t6w s GLU 56 CO -0.00 -0.21 1.04 -1.50 0.02 0.00 0.00 175.26 174.61 1t6w s ILE 57 N 2.08 4.21 1.23 -1.63 2.07 -1.26 -0.74 121.20 127.16 1t6w s ILE 57 Ca -0.05 0.29 -0.16 0.00 -1.41 0.00 0.00 60.65 59.32 1t6w s ILE 57 Cb -0.10 -4.66 0.30 0.00 0.13 0.00 0.00 42.46 38.13 1t6w s ILE 57 CO -0.13 -1.33 1.01 -0.76 -1.91 0.00 0.00 174.94 171.82 1t6w s LEU 58 N 4.41 0.32 0.04 8.50 1.02 -0.80 -4.93 118.68 127.23 1t6w s LEU 58 Ca 0.32 1.23 -0.19 0.00 0.02 0.00 0.00 54.13 55.50 1t6w s LEU 58 Cb -0.12 -3.01 -0.15 0.00 0.02 0.00 0.00 46.19 42.93 1t6w s LEU 58 CO 0.18 -4.45 1.29 0.00 0.02 0.00 0.00 176.35 173.40 1t6w h ALA 59 N -2.79 0.22 -0.06 4.21 0.00 -1.96 -3.03 119.26 115.85 1t6w h ALA 59 Ca -0.56 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 53.97 1t6w h ALA 59 Cb 1.34 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1t6w h ALA 59 CO 0.45 0.22 0.14 -2.95 0.00 0.00 0.00 179.25 177.11 1t6w h ASN 60 N 0.04 0.00 0.00 0.00 7.08 -1.93 -3.44 115.58 117.33 1t6w h ASN 60 Ca 0.01 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.23 1t6w h ASN 60 Cb 0.86 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.10 1t6w h ASN 60 CO 0.06 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.02 1t6w n GLY 61 N -1.25 1.50 3.55 9.14 0.00 -1.14 -2.65 105.19 114.35 1t6w n GLY 61 Ca -0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.75 1t6w n GLY 61 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t6w s ASP 62 N -2.00 4.14 -0.19 1.61 1.01 -1.26 -4.79 116.67 115.18 1t6w s ASP 62 Ca 0.00 -0.65 -0.24 0.00 0.71 0.00 0.00 52.55 52.37 1t6w s ASP 62 Cb 0.00 -0.65 -0.01 0.00 1.01 0.00 0.00 42.92 43.27 1t6w s ASP 62 CO 0.00 0.09 0.79 -0.22 0.21 0.00 0.00 175.17 176.04 1t6w s LEU 63 N -2.95 4.15 -0.39 1.23 2.96 -1.16 -1.91 118.68 120.60 1t6w s LEU 63 Ca 0.25 1.07 -0.11 0.00 -0.22 0.00 0.00 54.13 55.13 1t6w s LEU 63 Cb -0.08 -3.15 0.05 0.00 0.50 0.00 0.00 46.19 43.50 1t6w s LEU 63 CO 0.15 -0.40 0.23 -0.75 -1.32 0.00 0.00 176.35 174.26 1t6w s LYS 64 N 2.27 2.76 -0.05 1.98 2.47 0.09 -1.38 119.74 127.88 1t6w s LYS 64 Ca 0.36 -1.21 -0.20 0.00 -1.56 0.00 0.00 55.97 53.35 1t6w s LYS 64 Cb -0.16 -3.77 -0.05 0.00 -1.46 0.00 0.00 37.83 32.39 1t6w s LYS 64 CO 0.11 -0.80 0.58 0.42 0.16 0.00 0.00 175.35 175.82 1t6w s ILE 65 N 1.52 5.02 -0.08 5.43 1.01 -0.32 -1.00 121.20 132.78 1t6w s ILE 65 Ca 0.02 1.19 -0.23 0.00 0.00 0.00 0.00 60.65 61.63 1t6w s ILE 65 Cb -0.21 -3.92 -0.29 0.00 0.01 0.00 0.00 42.46 38.06 1t6w s ILE 65 CO 0.05 0.36 0.79 0.50 0.00 0.00 0.00 174.94 176.65 1t6w h LYS 66 N 6.17 0.20 -2.45 2.79 3.11 -1.51 -3.16 116.57 121.72 1t6w h LYS 66 Ca -0.43 -0.35 -0.25 0.00 -2.81 0.00 0.00 60.65 56.81 1t6w h LYS 66 Cb 1.19 0.13 -0.33 0.00 -1.00 0.00 0.00 32.23 32.22 1t6w h LYS 66 CO 0.72 1.17 -0.56 -0.80 -2.81 0.00 0.00 179.45 177.17 1t6w s ASN 67 N -6.78 0.82 0.60 4.20 -0.87 -1.26 -4.09 114.94 107.56 1t6w s ASN 67 Ca -0.16 0.11 -0.18 0.00 -1.57 0.00 0.00 52.86 51.05 1t6w s ASN 67 Cb 0.00 0.65 -0.05 0.00 -0.02 0.00 0.00 41.25 41.83 1t6w s ASN 67 CO 0.78 -0.30 0.90 0.18 -2.57 0.00 0.00 177.10 176.09 1t6w n LEU 68 N 5.34 3.24 -3.71 0.60 4.77 -0.52 -4.56 117.00 122.16 1t6w n LEU 68 Ca -0.05 0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 56.62 1t6w n LEU 68 Cb 0.50 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.17 1t6w n LEU 68 CO 0.06 -2.04 0.07 0.42 -1.33 0.00 0.00 177.39 174.58 1t6w s THR 69 N -1.54 0.09 0.13 -5.08 -4.23 -1.26 -0.38 115.64 103.36 1t6w s THR 69 Ca 0.75 -0.72 -0.29 0.00 -1.18 0.00 0.00 61.69 60.25 1t6w s THR 69 Cb -0.42 -1.13 -0.06 0.00 1.34 0.00 0.00 72.50 72.23 1t6w s THR 69 CO 0.48 -0.40 1.59 0.03 -0.54 0.00 0.00 174.62 175.78 1t6w h ARG 70 N 2.71 -0.48 -0.03 3.99 2.47 -1.95 0.20 114.38 121.29 1t6w h ARG 70 Ca -0.33 0.03 0.01 0.00 -1.26 0.00 0.00 59.98 58.43 1t6w h ARG 70 Cb 1.22 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.65 1t6w h ARG 70 CO 0.48 -0.32 0.19 0.38 0.56 0.00 0.00 179.97 181.26 1t6w h ASP 71 N -0.50 0.00 -0.42 7.04 3.04 -2.02 0.23 116.42 123.81 1t6w h ASP 71 Ca 0.07 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.86 1t6w h ASP 71 Cb 0.62 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.91 1t6w h ASP 71 CO -0.37 0.00 0.00 0.47 -2.04 0.00 0.00 179.24 177.30 1t6w n ASP 72 N -3.08 3.70 -4.60 4.15 8.00 0.67 -4.89 116.55 120.50 1t6w n ASP 72 Ca -0.02 -2.44 -0.31 0.00 0.71 0.00 0.00 54.79 52.74 1t6w n ASP 72 Cb 0.25 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.72 1t6w n ASP 72 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1t6w s SER 73 N -0.66 4.57 0.00 -2.24 0.15 0.82 -4.78 113.70 111.57 1t6w s SER 73 Ca 0.35 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.76 1t6w s SER 73 Cb 0.25 -1.00 0.00 0.00 -1.71 0.00 0.00 66.02 63.56 1t6w s SER 73 CO 0.14 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.42 1t6w n GLY 74 N 1.13 0.66 2.82 9.45 0.00 -0.55 -4.97 105.19 113.73 1t6w n GLY 74 Ca -0.14 -0.76 -0.17 0.00 0.00 0.00 0.00 46.02 44.96 1t6w n GLY 74 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 75 N 0.00 0.15 0.11 2.61 2.01 -1.26 0.12 115.64 119.38 1t6w s THR 75 Ca 0.00 0.09 0.03 0.00 0.31 0.00 0.00 61.69 62.12 1t6w s THR 75 Cb 0.00 -0.24 -0.04 0.00 0.01 0.00 0.00 72.50 72.23 1t6w s THR 75 CO 0.00 0.13 0.14 -0.31 -0.69 0.00 0.00 174.62 173.89 1t6w s TYR 76 N 0.98 3.27 -0.07 4.92 1.51 0.13 -4.37 117.35 123.71 1t6w s TYR 76 Ca -0.10 0.09 0.00 0.00 -1.01 0.00 0.00 57.07 56.05 1t6w s TYR 76 Cb -0.13 -1.62 0.02 0.00 -0.11 0.00 0.00 41.96 40.12 1t6w s TYR 76 CO -0.02 0.53 -0.05 -0.80 -1.11 0.00 0.00 175.55 174.10 1t6w s ASN 77 N -2.70 1.59 -0.17 2.29 0.01 0.10 -0.92 114.94 115.14 1t6w s ASN 77 Ca 0.31 -0.19 -0.04 0.00 -0.71 0.00 0.00 52.86 52.24 1t6w s ASN 77 Cb -0.12 -0.61 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 1t6w s ASN 77 CO 0.24 -0.10 -0.03 -0.69 -1.51 0.00 0.00 177.10 175.01 1t6w s VAL 78 N 1.41 3.81 -0.45 1.60 1.01 0.83 -1.09 120.40 127.52 1t6w s VAL 78 Ca -0.02 -0.38 -0.01 0.00 0.00 0.00 0.00 61.98 61.57 1t6w s VAL 78 Cb -0.13 -2.69 0.12 0.00 0.00 0.00 0.00 36.38 33.68 1t6w s VAL 78 CO -0.03 0.47 0.24 -0.89 0.00 0.00 0.00 175.10 174.88 1t6w s THR 79 N 0.67 3.17 -0.05 3.92 2.01 -0.85 -1.30 115.64 123.21 1t6w s THR 79 Ca -0.02 -2.40 -0.22 0.00 0.31 0.00 0.00 61.69 59.37 1t6w s THR 79 Cb -0.14 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1t6w s THR 79 CO 0.02 -0.73 0.63 -0.69 -0.69 0.00 0.00 174.62 173.16 1t6w s VAL 80 N 0.73 5.02 0.16 3.82 1.01 0.15 -2.89 120.40 128.40 1t6w s VAL 80 Ca 0.11 1.30 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1t6w s VAL 80 Cb -0.22 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1t6w s VAL 80 CO -0.04 0.32 -0.18 -0.31 0.00 0.00 0.00 175.10 174.89 1t6w s TYR 81 N 0.41 1.79 0.76 5.22 2.02 0.85 -1.20 117.35 127.21 1t6w s TYR 81 Ca 0.33 -0.47 -0.06 0.00 -0.37 0.00 0.00 57.07 56.51 1t6w s TYR 81 Cb -0.17 -0.90 0.13 0.00 -0.40 0.00 0.00 41.96 40.61 1t6w s TYR 81 CO 0.17 0.30 1.06 -1.54 -1.57 0.00 0.00 175.55 173.97 1t6w s SER 82 N -2.58 4.20 0.60 2.29 1.04 0.18 -0.90 113.70 118.54 1t6w s SER 82 Ca 0.14 -0.02 0.36 0.00 0.48 0.00 0.00 55.95 56.91 1t6w s SER 82 Cb -0.06 -0.37 1.92 0.00 0.10 0.00 0.00 66.02 67.62 1t6w s SER 82 CO 0.06 -1.97 2.22 0.71 0.98 0.00 0.00 173.24 175.24 1t6w h THR 83 N -0.77 0.23 -0.64 2.02 1.35 -1.82 -1.36 112.91 111.92 1t6w h THR 83 Ca -0.40 -0.21 -0.21 0.00 -0.55 0.00 0.00 66.41 65.04 1t6w h THR 83 Cb 1.27 1.17 -0.12 0.00 -1.73 0.00 0.00 68.15 68.73 1t6w h THR 83 CO 0.45 0.03 0.26 0.59 -0.25 0.00 0.00 175.52 176.59 1t6w n ASN 84 N -3.35 4.26 -2.18 5.36 3.02 -1.26 -4.88 115.26 116.23 1t6w n ASN 84 Ca -0.02 -3.03 -0.18 0.00 -0.03 0.00 0.00 54.58 51.32 1t6w n ASN 84 Cb 0.15 -0.71 -0.03 0.00 -0.61 0.00 0.00 39.78 38.58 1t6w n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1t6w n GLY 85 N -0.15 0.08 3.94 7.41 0.00 -0.51 -4.96 105.19 111.00 1t6w n GLY 85 Ca 0.35 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.12 1t6w n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1t6w s THR 86 N -2.79 5.21 -0.42 2.61 2.01 -1.25 -4.84 115.64 116.17 1t6w s THR 86 Ca 0.00 -0.58 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 1t6w s THR 86 Cb 0.00 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1t6w s THR 86 CO 0.00 -0.29 1.27 -0.13 -0.69 0.00 0.00 174.62 174.78 1t6w s ARG 87 N -3.69 3.70 -0.22 4.92 3.00 -1.26 -0.65 118.95 124.75 1t6w s ARG 87 Ca 0.37 0.82 -0.18 0.00 0.00 0.00 0.00 55.73 56.75 1t6w s ARG 87 Cb -0.10 -3.94 -0.15 0.00 0.00 0.00 0.00 34.95 30.76 1t6w s ARG 87 CO 0.30 -1.40 -0.02 -0.89 0.00 0.00 0.00 175.30 173.30 1t6w n ILE 88 N 6.81 1.52 -3.73 1.52 2.08 -0.34 -4.90 119.36 122.32 1t6w n ILE 88 Ca 0.14 -0.09 -0.14 0.00 0.56 0.00 0.00 62.75 63.22 1t6w n ILE 88 Cb 0.48 -2.05 -0.08 0.00 -0.75 0.00 0.00 39.64 37.24 1t6w n ILE 88 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1t6w s LEU 89 N -7.81 0.64 -0.20 1.39 0.20 -0.85 -5.01 118.68 107.04 1t6w s LEU 89 Ca -0.30 0.19 -0.04 0.00 0.69 0.00 0.00 54.13 54.66 1t6w s LEU 89 Cb 0.08 1.44 0.08 0.00 -0.43 0.00 0.00 46.19 47.36 1t6w s LEU 89 CO 0.52 -0.46 0.14 0.21 -0.29 0.00 0.00 176.35 176.46 1t6w s ASN 90 N -1.28 2.20 0.20 3.68 3.04 -1.26 0.34 114.94 121.87 1t6w s ASN 90 Ca -0.13 -0.60 0.10 0.00 0.04 0.00 0.00 52.86 52.28 1t6w s ASN 90 Cb -0.04 -0.05 -0.04 0.00 -1.54 0.00 0.00 41.25 39.57 1t6w s ASN 90 CO 0.05 -0.36 -0.21 -0.54 -3.04 0.00 0.00 177.10 173.01 1t6w s LYS 91 N 2.19 1.46 -0.04 0.43 -0.14 -0.42 -4.97 119.74 118.26 1t6w s LYS 91 Ca 0.05 -1.55 -0.01 0.00 -1.36 0.00 0.00 55.97 53.10 1t6w s LYS 91 Cb -0.16 -1.61 0.03 0.00 -1.68 0.00 0.00 37.83 34.41 1t6w s LYS 91 CO -0.14 0.33 0.04 0.00 -0.76 0.00 0.00 175.35 174.82 1t6w s ALA 92 N -2.06 0.24 0.29 5.17 0.00 -1.26 -0.12 121.76 124.02 1t6w s ALA 92 Ca 0.21 0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.46 1t6w s ALA 92 Cb -0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 23.12 22.50 1t6w s ALA 92 CO 0.10 -0.34 -0.12 -0.51 0.00 0.00 0.00 175.76 174.89 1t6w s LEU 93 N 1.75 2.60 -0.12 0.00 1.02 -0.09 -4.68 118.68 119.16 1t6w s LEU 93 Ca -0.00 -1.13 -0.01 0.00 0.02 0.00 0.00 54.13 53.01 1t6w s LEU 93 Cb -0.12 -0.88 -0.02 0.00 0.02 0.00 0.00 46.19 45.19 1t6w s LEU 93 CO -0.03 -0.18 -0.08 -1.81 0.02 0.00 0.00 176.35 174.27 1t6w s ASP 94 N -3.50 4.48 -0.45 2.29 1.11 -1.23 0.20 116.67 119.57 1t6w s ASP 94 Ca 0.30 -0.17 -0.02 0.00 0.18 0.00 0.00 52.55 52.84 1t6w s ASP 94 Cb 0.01 -1.52 0.12 0.00 1.07 0.00 0.00 42.92 42.59 1t6w s ASP 94 CO 0.14 0.23 0.25 -0.22 1.18 0.00 0.00 175.17 176.74 1t6w s LEU 95 N -0.00 5.22 -0.46 1.23 2.96 0.12 0.34 118.68 128.08 1t6w s LEU 95 Ca -0.01 -2.22 -0.18 0.00 -0.22 0.00 0.00 54.13 51.49 1t6w s LEU 95 Cb -0.14 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.77 1t6w s LEU 95 CO 0.03 -0.50 0.53 -0.13 -1.32 0.00 0.00 176.35 174.96 1t6w s ARG 96 N 0.86 3.12 -0.35 1.98 1.81 -0.25 -1.48 118.95 124.64 1t6w s ARG 96 Ca 0.10 -0.79 -0.09 0.00 -1.72 0.00 0.00 55.73 53.24 1t6w s ARG 96 Cb -0.22 -4.02 0.03 0.00 -0.45 0.00 0.00 34.95 30.29 1t6w s ARG 96 CO -0.04 -1.01 0.16 0.42 -0.68 0.00 0.00 175.30 174.14 1t6w s ILE 97 N 2.37 4.23 0.08 1.52 1.01 -1.26 -1.29 121.20 127.86 1t6w s ILE 97 Ca 0.14 -0.95 -0.31 0.00 0.00 0.00 0.00 60.65 59.54 1t6w s ILE 97 Cb -0.18 -3.36 -0.08 0.00 0.01 0.00 0.00 42.46 38.85 1t6w s ILE 97 CO 0.13 -0.19 1.54 -0.76 0.00 0.00 0.00 174.94 175.67 1t6w s LEU 98 N 1.49 4.36 0.00 2.97 1.43 0.14 -4.64 118.68 124.43 1t6w s LEU 98 Ca 0.01 2.40 0.32 0.00 -1.03 0.00 0.00 54.13 55.82 1t6w s LEU 98 Cb -0.19 -3.57 1.90 0.00 0.03 0.00 0.00 46.19 44.36 1t6w s LEU 98 CO 0.05 -0.80 2.22 -0.62 0.23 0.00 0.00 176.35 177.43