#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5n s ALA 2 N 0.00 3.17 0.10 3.04 0.00 -1.26 -4.23 121.76 122.58 2k5n s ALA 2 Ca 0.00 0.67 0.07 0.00 0.00 0.00 0.00 51.96 52.70 2k5n s ALA 2 Cb 0.00 -3.91 -0.04 0.00 0.00 0.00 0.00 23.12 19.17 2k5n s ALA 2 CO 0.00 -2.12 -0.12 -1.64 0.00 0.00 0.00 175.76 171.87 2k5n s MET 3 N 5.08 2.07 0.10 0.00 1.00 -0.16 -4.91 119.30 122.48 2k5n s MET 3 Ca 0.81 -1.04 0.02 0.00 0.00 0.00 0.00 55.69 55.48 2k5n s MET 3 Cb -0.30 -2.26 -0.04 0.00 0.00 0.00 0.00 34.83 32.23 2k5n s MET 3 CO 0.33 0.51 0.21 -0.80 0.00 0.00 0.00 175.02 175.26 2k5n s ASN 4 N -2.09 6.13 0.34 3.03 -0.87 -1.26 -0.93 114.94 119.30 2k5n s ASN 4 Ca 0.20 0.15 -0.07 0.00 -1.57 0.00 0.00 52.86 51.56 2k5n s ASN 4 Cb -0.11 -1.81 0.01 0.00 -0.02 0.00 0.00 41.25 39.32 2k5n s ASN 4 CO 0.12 0.12 0.55 -0.83 -2.57 0.00 0.00 177.10 174.49 2k5n s GLY 5 N -2.79 1.05 -0.06 0.66 0.00 0.23 -0.75 107.32 105.67 2k5n s GLY 5 Ca 0.34 -1.22 0.03 0.00 0.00 0.00 0.00 44.72 43.87 2k5n s GLY 5 CO 0.27 -0.77 -0.15 -1.59 0.00 0.00 0.00 173.10 170.86 2k5n s THR 6 N -3.04 1.33 -0.38 0.90 2.01 0.63 -0.96 115.64 116.13 2k5n s THR 6 Ca 0.25 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2k5n s THR 6 Cb -0.02 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.28 2k5n s THR 6 CO 0.16 0.39 2.02 -0.63 -0.69 0.00 0.00 174.62 175.87 2k5n s ILE 7 N 0.38 3.26 -0.17 1.82 1.01 0.07 -2.34 121.20 125.24 2k5n s ILE 7 Ca -0.11 0.23 0.02 0.00 0.00 0.00 0.00 60.65 60.80 2k5n s ILE 7 Cb -0.14 -3.43 -0.22 0.00 0.01 0.00 0.00 42.46 38.68 2k5n s ILE 7 CO 0.04 -0.33 0.15 0.41 0.00 0.00 0.00 174.94 175.21 2k5n n THR 8 N 7.57 1.61 -3.68 2.92 -1.04 -0.81 -0.39 114.28 120.45 2k5n n THR 8 Ca 0.27 -0.67 -0.10 0.00 -2.04 0.00 0.00 64.05 61.50 2k5n n THR 8 Cb 0.49 -1.36 -0.11 0.00 -1.82 0.00 0.00 70.33 67.52 2k5n n THR 8 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2k5n s THR 9 N -2.54 -0.31 -0.06 12.58 2.01 -0.11 -4.88 115.64 122.33 2k5n s THR 9 Ca -0.23 0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 2k5n s THR 9 Cb 0.08 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 72.02 2k5n s THR 9 CO 0.72 0.06 0.13 0.86 -0.69 0.00 0.00 174.62 175.70 2k5n s TRP 10 N 1.97 -0.13 -0.36 4.92 -0.11 -1.26 0.61 118.94 124.57 2k5n s TRP 10 Ca -0.05 0.41 0.01 0.00 1.22 0.00 0.00 56.10 57.69 2k5n s TRP 10 Cb -0.10 -0.08 0.11 0.00 -1.50 0.00 0.00 33.47 31.90 2k5n s TRP 10 CO -0.12 -0.14 0.14 -0.06 -4.62 0.00 0.00 176.95 172.15 2k5n s PHE 11 N 0.98 2.10 0.23 5.86 0.08 -0.86 -4.99 117.98 121.37 2k5n s PHE 11 Ca -0.08 -2.17 -0.08 0.00 0.12 0.00 0.00 56.93 54.72 2k5n s PHE 11 Cb -0.10 -1.95 0.23 0.00 -0.57 0.00 0.00 43.02 40.62 2k5n s PHE 11 CO -0.05 -0.85 1.88 -0.22 -0.10 0.00 0.00 175.22 175.89 2k5n h LYS 12 N 7.51 1.05 0.00 0.44 3.64 -1.94 0.34 116.57 127.61 2k5n h LYS 12 Ca -0.08 -0.06 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2k5n h LYS 12 Cb 0.98 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2k5n h LYS 12 CO 0.48 0.69 -0.38 -0.44 -2.27 0.00 0.00 179.45 177.54 2k5n h ASP 13 N 1.08 0.00 0.23 4.20 3.32 -1.95 -3.10 116.42 120.20 2k5n h ASP 13 Ca 0.32 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.03 2k5n h ASP 13 Cb -0.05 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2k5n h ASP 13 CO -0.10 0.38 -1.82 0.50 -1.72 0.00 0.00 179.24 176.49 2k5n h LYS 14 N 0.00 0.29 0.00 3.56 3.64 -1.80 -3.48 116.57 118.77 2k5n h LYS 14 Ca -0.00 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2k5n h LYS 14 Cb 0.77 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2k5n h LYS 14 CO 0.05 1.18 0.00 0.41 -2.27 0.00 0.00 179.45 178.82 2k5n n GLY 15 N 1.86 1.20 3.97 5.01 0.00 0.11 -5.07 105.19 112.27 2k5n n GLY 15 Ca -0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 2k5n n GLY 15 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5n s PHE 16 N -2.19 3.26 0.00 1.61 0.40 -1.21 -1.15 117.98 118.70 2k5n s PHE 16 Ca 0.00 0.06 -0.28 0.00 -0.60 0.00 0.00 56.93 56.11 2k5n s PHE 16 Cb 0.00 -2.04 0.09 0.00 0.51 0.00 0.00 43.02 41.58 2k5n s PHE 16 CO 0.00 -0.06 0.77 0.20 0.70 0.00 0.00 175.22 176.83 2k5n s GLY 17 N -4.14 -0.50 -0.02 4.36 0.00 -0.66 -2.03 107.32 104.32 2k5n s GLY 17 Ca 0.44 1.12 0.00 0.00 0.00 0.00 0.00 44.72 46.28 2k5n s GLY 17 CO 0.34 0.56 0.02 -1.36 0.00 0.00 0.00 173.10 172.66 2k5n s PHE 18 N -2.47 0.08 -0.05 1.90 0.08 0.20 -0.29 117.98 117.43 2k5n s PHE 18 Ca -0.01 0.08 -0.00 0.00 0.12 0.00 0.00 56.93 57.12 2k5n s PHE 18 Cb -0.01 -0.23 0.03 0.00 -0.57 0.00 0.00 43.02 42.24 2k5n s PHE 18 CO -0.04 -0.08 0.00 0.42 -0.10 0.00 0.00 175.22 175.43 2k5n s ILE 19 N 0.87 0.25 -0.14 0.64 1.01 -1.09 -0.94 121.20 121.80 2k5n s ILE 19 Ca -0.08 0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.46 2k5n s ILE 19 Cb -0.11 -0.38 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 2k5n s ILE 19 CO -0.02 0.20 0.73 -0.75 0.00 0.00 0.00 174.94 175.10 2k5n s LYS 20 N 1.49 4.32 0.00 2.79 2.36 -0.99 -1.79 119.74 127.93 2k5n s LYS 20 Ca -0.03 0.86 0.00 0.00 -2.55 0.00 0.00 55.97 54.25 2k5n s LYS 20 Cb -0.13 -3.53 0.00 0.00 -1.05 0.00 0.00 37.83 33.12 2k5n s LYS 20 CO -0.03 -0.17 0.00 -0.40 1.55 0.00 0.00 175.35 176.30 2k5n n ASP 21 N 4.68 0.00 0.08 1.43 5.75 -0.46 -0.27 116.55 127.76 2k5n n ASP 21 Ca 0.01 -0.95 -0.06 0.00 -0.01 0.00 0.00 54.79 53.78 2k5n n ASP 21 Cb 0.50 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.54 2k5n n ASP 21 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 2k5n h GLU 22 N 0.00 0.01 -0.08 0.11 4.81 -1.28 -3.30 114.58 114.86 2k5n h GLU 22 Ca 0.00 -0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 2k5n h GLU 22 Cb 0.00 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.39 2k5n h GLU 22 CO 0.00 0.91 -0.80 -0.97 -0.73 0.00 0.00 179.01 177.42 2k5n h ASN 23 N 0.01 0.63 0.00 1.04 -0.73 -1.96 -3.48 115.58 111.10 2k5n h ASN 23 Ca -0.01 -0.44 0.00 0.00 1.87 0.00 0.00 56.30 57.72 2k5n h ASN 23 Cb 1.60 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 40.00 2k5n h ASN 23 CO 0.12 1.21 0.00 0.61 -0.37 0.00 0.00 177.43 179.00 2k5n n GLY 24 N 0.70 0.84 3.14 1.57 0.00 -1.24 -5.16 105.19 105.04 2k5n n GLY 24 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.87 2k5n n GLY 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k5n s ASP 25 N -1.51 0.47 -0.28 1.61 2.15 -1.26 -4.97 116.67 112.89 2k5n s ASP 25 Ca 0.00 -1.14 -0.05 0.00 0.43 0.00 0.00 52.55 51.79 2k5n s ASP 25 Cb 0.00 0.25 0.01 0.00 -0.30 0.00 0.00 42.92 42.88 2k5n s ASP 25 CO 0.00 -0.67 0.03 0.21 -0.17 0.00 0.00 175.17 174.58 2k5n s ASN 26 N -3.02 4.86 0.13 -0.34 2.47 -1.26 -1.36 114.94 116.42 2k5n s ASN 26 Ca 0.19 -0.72 0.03 0.00 0.42 0.00 0.00 52.86 52.77 2k5n s ASN 26 Cb 0.07 -1.81 -0.04 0.00 -1.45 0.00 0.00 41.25 38.02 2k5n s ASN 26 CO -0.02 -0.16 0.22 -0.13 -3.72 0.00 0.00 177.10 173.30 2k5n s ARG 27 N 1.45 3.28 -0.15 0.43 0.52 -0.74 -4.85 118.95 118.90 2k5n s ARG 27 Ca 0.02 -0.63 -0.29 0.00 -0.52 0.00 0.00 55.73 54.31 2k5n s ARG 27 Cb -0.17 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.40 2k5n s ARG 27 CO 0.00 0.53 0.99 -0.47 0.02 0.00 0.00 175.30 176.37 2k5n s TYR 28 N -1.67 3.45 0.18 -0.53 5.04 0.05 -2.68 117.35 121.19 2k5n s TYR 28 Ca 0.33 1.50 0.10 0.00 -2.44 0.00 0.00 57.07 56.57 2k5n s TYR 28 Cb -0.11 -3.18 -0.04 0.00 0.35 0.00 0.00 41.96 38.97 2k5n s TYR 28 CO 0.27 -0.30 -0.16 -0.06 -1.34 0.00 0.00 175.55 173.96 2k5n s PHE 29 N 2.37 2.50 -0.02 4.97 0.40 0.60 -3.37 117.98 125.42 2k5n s PHE 29 Ca 0.45 -0.28 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2k5n s PHE 29 Cb -0.17 -1.24 0.01 0.00 0.51 0.00 0.00 43.02 42.14 2k5n s PHE 29 CO 0.14 0.50 -0.03 -1.58 0.70 0.00 0.00 175.22 174.94 2k5n s HIS 30 N -1.64 0.46 0.52 0.36 2.46 -1.26 -1.65 115.29 114.54 2k5n s HIS 30 Ca 0.23 -0.08 0.36 0.00 0.47 0.00 0.00 55.06 56.03 2k5n s HIS 30 Cb -0.09 -0.42 1.51 0.00 -0.13 0.00 0.00 32.58 33.46 2k5n s HIS 30 CO 0.13 -0.10 1.77 -0.24 -2.47 0.00 0.00 174.74 173.83 2k5n h VAL 31 N 5.76 0.37 -0.01 0.89 3.04 -1.46 -0.80 116.25 124.04 2k5n h VAL 31 Ca -0.36 -0.02 -0.08 0.00 -1.01 0.00 0.00 66.70 65.23 2k5n h VAL 31 Cb 1.16 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.75 2k5n h VAL 31 CO 0.49 0.01 -0.38 -0.29 -1.01 0.00 0.00 177.57 176.38 2k5n h ILE 32 N 0.05 1.28 -0.58 3.17 2.10 -1.96 -2.68 117.51 118.88 2k5n h ILE 32 Ca 0.61 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 65.23 2k5n h ILE 32 Cb 2.33 1.70 0.00 0.00 -1.09 0.00 0.00 36.82 39.76 2k5n h ILE 32 CO -0.06 0.38 0.00 0.29 -1.08 0.00 0.00 178.15 177.68 2k5n n LYS 33 N -4.08 3.57 -3.45 2.19 4.76 -0.31 -4.87 118.16 115.98 2k5n n LYS 33 Ca -0.02 -2.61 -0.37 0.00 -2.87 0.00 0.00 58.31 52.44 2k5n n LYS 33 Cb 0.42 -1.87 -0.07 0.00 -1.84 0.00 0.00 35.03 31.67 2k5n n LYS 33 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k5n s VAL 34 N -1.89 5.24 0.02 -0.18 1.01 -1.01 -1.89 120.40 121.70 2k5n s VAL 34 Ca 0.47 0.73 -0.18 0.00 0.00 0.00 0.00 61.98 62.99 2k5n s VAL 34 Cb 0.31 -3.71 -0.23 0.00 0.00 0.00 0.00 36.38 32.75 2k5n s VAL 34 CO 0.22 0.38 1.13 0.00 0.00 0.00 0.00 175.10 176.83 2k5n h ALA 35 N 6.56 0.10 -2.49 5.51 0.00 -0.78 -3.40 119.26 124.75 2k5n h ALA 35 Ca -0.42 -0.58 -0.60 0.00 0.00 0.00 0.00 54.91 53.31 2k5n h ALA 35 Cb 1.17 0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.61 2k5n h ALA 35 CO 0.75 0.42 -0.89 0.27 0.00 0.00 0.00 179.25 179.79 2k5n n ASN 36 N -4.15 0.40 0.03 0.00 6.94 -1.24 -4.94 115.26 112.29 2k5n n ASN 36 Ca -0.10 -2.60 0.12 0.00 -0.02 0.00 0.00 54.58 51.98 2k5n n ASN 36 Cb 0.70 -0.60 0.50 0.00 -2.36 0.00 0.00 39.78 38.02 2k5n n ASN 36 CO 0.00 0.00 0.00 -0.81 -1.03 0.00 0.00 177.26 175.42 2k5n n PRO 37 N 2.52 0.06 0.24 -0.53 -0.04 -1.26 -3.06 135.00 132.93 2k5n n PRO 37 Ca 0.27 0.12 0.15 0.00 -0.04 0.00 0.00 63.50 64.01 2k5n n PRO 37 Cb 0.45 -1.58 0.55 0.00 -0.04 0.00 0.00 33.50 32.89 2k5n n PRO 37 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2k5n h ASP 38 N 0.00 0.00 -0.48 3.54 3.58 -1.97 -2.82 116.42 118.28 2k5n h ASP 38 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k5n h ASP 38 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 2k5n h ASP 38 CO 0.00 0.00 0.00 0.18 -2.88 0.00 0.00 179.24 176.54 2k5n n LEU 39 N -2.93 3.74 -4.69 2.28 4.77 -1.17 -4.95 117.00 114.05 2k5n n LEU 39 Ca 0.02 -2.28 -0.41 0.00 -0.03 0.00 0.00 56.01 53.30 2k5n n LEU 39 Cb 0.34 -0.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.98 2k5n n LEU 39 CO 0.27 0.79 0.63 -0.63 -1.33 0.00 0.00 177.39 177.12 2k5n s ILE 40 N -1.52 4.88 0.18 -0.08 1.01 -1.07 -4.79 121.20 119.82 2k5n s ILE 40 Ca 0.38 1.79 -0.01 0.00 0.00 0.00 0.00 60.65 62.81 2k5n s ILE 40 Cb 0.23 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.46 2k5n s ILE 40 CO 0.20 0.09 0.10 -1.59 0.00 0.00 0.00 174.94 173.74 2k5n s LYS 41 N 1.65 1.14 0.24 2.79 -2.85 -1.26 -5.11 119.74 116.34 2k5n s LYS 41 Ca 0.43 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.52 2k5n s LYS 41 Cb -0.18 0.18 -0.09 0.00 -2.06 0.00 0.00 37.83 35.68 2k5n s LYS 41 CO 0.18 -0.33 0.97 0.21 0.10 0.00 0.00 175.35 176.48 2k5n s LYS 42 N -4.10 4.81 -0.20 1.78 2.36 -1.26 -2.98 119.74 120.14 2k5n s LYS 42 Ca 0.34 1.55 0.00 0.00 -2.55 0.00 0.00 55.97 55.31 2k5n s LYS 42 Cb 0.07 -3.26 0.00 0.00 -1.05 0.00 0.00 37.83 33.59 2k5n s LYS 42 CO 0.09 0.45 0.00 -0.25 1.55 0.00 0.00 175.35 177.19 2k5n n ASP 43 N 1.47 -3.86 -4.87 1.43 8.00 0.47 -4.99 116.55 114.21 2k5n n ASP 43 Ca -0.02 0.05 -0.31 0.00 0.71 0.00 0.00 54.79 55.22 2k5n n ASP 43 Cb 0.47 -1.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.02 2k5n n ASP 43 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k5n s ALA 44 N -1.86 3.19 0.03 2.24 0.00 -1.16 -4.70 121.76 119.50 2k5n s ALA 44 Ca 0.00 -0.08 -0.19 0.00 0.00 0.00 0.00 51.96 51.69 2k5n s ALA 44 Cb 0.00 -2.93 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 2k5n s ALA 44 CO 0.00 -0.31 0.55 0.00 0.00 0.00 0.00 175.76 176.00 2k5n s ALA 45 N -2.72 3.56 0.11 0.00 0.00 -1.26 -0.75 121.76 120.70 2k5n s ALA 45 Ca 0.54 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 52.51 2k5n s ALA 45 Cb -0.10 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.33 2k5n s ALA 45 CO 0.39 0.31 -0.05 0.14 0.00 0.00 0.00 175.76 176.55 2k5n s VAL 46 N -0.73 0.65 0.16 0.00 -7.23 -0.13 0.29 120.40 113.42 2k5n s VAL 46 Ca 0.29 -1.93 0.09 0.00 -1.81 0.00 0.00 61.98 58.61 2k5n s VAL 46 Cb -0.19 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2k5n s VAL 46 CO 0.17 -0.81 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.07 2k5n s THR 47 N -3.66 1.89 0.17 5.32 2.01 0.74 -0.60 115.64 121.52 2k5n s THR 47 Ca 0.14 -1.89 -0.24 0.00 0.31 0.00 0.00 61.69 60.00 2k5n s THR 47 Cb 0.06 -1.86 0.06 0.00 0.01 0.00 0.00 72.50 70.77 2k5n s THR 47 CO -0.04 -0.25 0.96 0.72 -0.69 0.00 0.00 174.62 175.32 2k5n s PHE 48 N -1.89 -0.09 -0.05 4.92 -0.12 -0.10 -0.68 117.98 119.96 2k5n s PHE 48 Ca 0.15 -0.24 -0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2k5n s PHE 48 Cb -0.07 0.66 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2k5n s PHE 48 CO 0.07 -0.88 0.14 -1.21 -0.05 0.00 0.00 175.22 173.29 2k5n s GLU 49 N -3.12 3.35 0.42 1.99 0.41 0.32 -0.99 118.70 121.07 2k5n s GLU 49 Ca 0.14 -0.28 -0.22 0.00 -0.41 0.00 0.00 54.97 54.19 2k5n s GLU 49 Cb -0.02 -3.07 -0.10 0.00 -1.78 0.00 0.00 34.13 29.16 2k5n s GLU 49 CO 0.03 0.71 0.98 -1.25 -0.49 0.00 0.00 175.26 175.24 2k5n s PRO 50 N -1.50 4.21 0.17 0.39 0.04 -1.26 -1.15 135.00 135.89 2k5n s PRO 50 Ca 0.21 1.24 -0.24 0.00 0.04 0.00 0.00 61.00 62.25 2k5n s PRO 50 Cb -0.12 -2.31 0.06 0.00 0.04 0.00 0.00 34.50 32.17 2k5n s PRO 50 CO 0.11 -0.06 0.95 -0.08 0.04 0.00 0.00 177.00 177.97 2k5n s THR 51 N -1.99 0.00 0.18 1.26 -1.32 -0.74 -4.81 115.64 108.22 2k5n s THR 51 Ca 0.60 -0.69 0.07 0.00 -1.21 0.00 0.00 61.69 60.47 2k5n s THR 51 Cb -0.13 -2.11 -0.04 0.00 -1.51 0.00 0.00 72.50 68.71 2k5n s THR 51 CO 0.18 0.00 0.04 -0.89 -2.21 0.00 0.00 174.62 171.74 2k5n s THR 52 N -3.18 3.92 0.19 5.08 2.01 -1.26 -2.10 115.64 120.29 2k5n s THR 52 Ca 0.13 -1.38 0.04 0.00 0.31 0.00 0.00 61.69 60.79 2k5n s THR 52 Cb -0.02 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.45 2k5n s THR 52 CO 0.03 -0.14 -0.06 0.21 -0.69 0.00 0.00 174.62 173.97 2k5n s ASN 53 N -3.08 1.84 0.35 3.53 3.84 0.91 -4.77 114.94 117.56 2k5n s ASN 53 Ca 0.29 -1.10 0.04 0.00 0.21 0.00 0.00 52.86 52.29 2k5n s ASN 53 Cb -0.09 -0.01 0.67 0.00 -0.55 0.00 0.00 41.25 41.28 2k5n s ASN 53 CO 0.20 -0.40 1.99 -1.13 -2.79 0.00 0.00 177.10 174.96 2k5n h ASN 54 N 2.63 0.71 0.02 -4.21 -0.73 -2.00 -3.17 115.58 108.84 2k5n h ASN 54 Ca -0.37 -0.01 -0.16 0.00 1.87 0.00 0.00 56.30 57.63 2k5n h ASN 54 Cb 1.21 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.62 2k5n h ASN 54 CO 0.64 0.49 -0.84 0.11 -0.37 0.00 0.00 177.43 177.46 2k5n h LYS 55 N 0.82 0.05 0.00 6.67 1.57 -2.04 -3.50 116.57 120.14 2k5n h LYS 55 Ca 0.27 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k5n h LYS 55 Cb 0.05 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.40 2k5n h LYS 55 CO -0.07 1.04 0.00 0.41 -0.57 0.00 0.00 179.45 180.26 2k5n n GLY 56 N 1.56 2.83 3.85 3.86 0.00 -1.20 -5.15 105.19 110.94 2k5n n GLY 56 Ca -0.23 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 2k5n n GLY 56 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k5n s LEU 57 N 0.00 4.11 0.24 0.99 1.43 -1.26 -0.07 118.68 124.12 2k5n s LEU 57 Ca 0.00 1.28 -0.12 0.00 -1.03 0.00 0.00 54.13 54.26 2k5n s LEU 57 Cb 0.00 -3.98 -0.01 0.00 0.03 0.00 0.00 46.19 42.23 2k5n s LEU 57 CO 0.00 -0.16 0.45 -0.94 0.23 0.00 0.00 176.35 175.93 2k5n s SER 58 N -2.18 -0.08 0.05 2.29 1.04 -0.89 -0.77 113.70 113.16 2k5n s SER 58 Ca 0.52 -0.95 0.02 0.00 0.48 0.00 0.00 55.95 56.03 2k5n s SER 58 Cb -0.11 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2k5n s SER 58 CO 0.18 -1.11 -0.08 0.00 0.98 0.00 0.00 173.24 173.20 2k5n s ALA 59 N -4.02 0.68 0.44 5.32 0.00 -1.22 -1.80 121.76 121.16 2k5n s ALA 59 Ca 0.23 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.39 2k5n s ALA 59 Cb -0.00 0.04 -0.06 0.00 0.00 0.00 0.00 23.12 23.10 2k5n s ALA 59 CO 0.09 -0.02 0.01 0.71 0.00 0.00 0.00 175.76 176.54 2k5n s TYR 60 N -1.61 2.34 -1.39 0.00 2.02 -0.30 -4.79 117.35 113.61 2k5n s TYR 60 Ca -0.07 -0.75 -0.01 0.00 -0.37 0.00 0.00 57.07 55.88 2k5n s TYR 60 Cb -0.08 -1.73 0.01 0.00 -0.40 0.00 0.00 41.96 39.75 2k5n s TYR 60 CO 0.00 0.39 0.52 0.00 -1.57 0.00 0.00 175.55 174.89 2k5n n ALA 61 N -1.04 -1.98 -2.44 3.71 0.00 -1.09 -0.53 120.51 117.14 2k5n n ALA 61 Ca -0.09 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2k5n n ALA 61 Cb 0.67 -1.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 2k5n n ALA 61 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2k5n s VAL 62 N -3.85 3.98 -0.16 0.00 1.01 -0.79 -4.36 120.40 116.23 2k5n s VAL 62 Ca 0.04 0.97 -0.04 0.00 0.00 0.00 0.00 61.98 62.95 2k5n s VAL 62 Cb -0.02 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2k5n s VAL 62 CO 0.87 -0.93 -0.03 -1.59 0.00 0.00 0.00 175.10 173.41 2k5n s LYS 63 N 4.89 3.65 0.22 2.72 0.00 0.14 -0.06 119.74 131.30 2k5n s LYS 63 Ca 0.55 -0.53 -0.21 0.00 0.00 0.00 0.00 55.97 55.78 2k5n s LYS 63 Cb -0.11 -2.94 -0.08 0.00 0.00 0.00 0.00 37.83 34.70 2k5n s LYS 63 CO 0.31 0.19 0.75 0.08 0.00 0.00 0.00 175.35 176.68 2k5n s VAL 64 N 0.50 4.51 -0.71 1.79 1.01 -1.26 -0.18 120.40 126.05 2k5n s VAL 64 Ca -0.03 1.39 -0.00 0.00 0.00 0.00 0.00 61.98 63.34 2k5n s VAL 64 Cb -0.14 -3.91 0.18 0.00 0.00 0.00 0.00 36.38 32.51 2k5n s VAL 64 CO 0.03 0.24 0.54 -0.69 0.00 0.00 0.00 175.10 175.21 2k5n s VAL 65 N -1.49 3.62 0.37 2.92 1.01 0.15 -4.92 120.40 122.07 2k5n s VAL 65 Ca 0.43 -3.56 0.04 0.00 0.00 0.00 0.00 61.98 58.88 2k5n s VAL 65 Cb -0.18 -3.33 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 2k5n s VAL 65 CO 0.22 -0.96 0.55 -2.16 0.00 0.00 0.00 175.10 172.74 2k5n s PRO 66 N -0.79 3.15 0.00 2.72 0.04 -1.26 -4.15 135.00 134.71 2k5n s PRO 66 Ca 0.22 -0.74 0.23 0.00 0.04 0.00 0.00 61.00 60.75 2k5n s PRO 66 Cb -0.14 -2.71 0.77 0.00 0.04 0.00 0.00 34.50 32.46 2k5n s PRO 66 CO -0.08 -0.03 1.57 1.47 0.04 0.00 0.00 177.00 179.96 2k5n n LEU 67 N -1.81 1.86 0.00 -3.56 -0.00 -1.26 -4.59 117.00 107.64 2k5n n LEU 67 Ca -0.01 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.27 2k5n n LEU 67 Cb 0.58 -0.09 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2k5n n LEU 67 CO 0.45 0.37 0.00 1.21 -0.00 0.00 0.00 177.39 179.42 2k5n n GLU 68 N 0.45 0.00 -2.24 1.47 4.07 -1.26 -4.92 120.64 118.20 2k5n n GLU 68 Ca 0.17 0.00 -0.17 0.00 -0.06 0.00 0.00 57.16 57.10 2k5n n GLU 68 Cb 0.38 -0.04 -0.02 0.00 -0.06 0.00 0.00 31.44 31.70 2k5n n GLU 68 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2k5n n HIS 69 N -0.16 -1.02 -0.39 4.31 -0.00 -1.26 -4.82 115.22 111.88 2k5n n HIS 69 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 2k5n n HIS 69 Cb 0.00 -3.30 0.04 0.00 -0.00 0.00 0.00 29.99 26.74 2k5n n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k5n n HIS 70 N -3.40 0.00 -0.73 1.57 -0.00 -1.26 -5.10 115.22 106.30 2k5n n HIS 70 Ca -0.19 -0.63 0.02 0.00 -0.00 0.00 0.00 57.72 56.91 2k5n n HIS 70 Cb 0.63 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.99 30.53 2k5n n HIS 70 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k5n n HIS 71 N -0.77 -1.99 -4.19 1.57 8.25 -1.26 -5.01 115.22 111.82 2k5n n HIS 71 Ca 0.05 1.08 -0.22 0.00 -0.26 0.00 0.00 57.72 58.37 2k5n n HIS 71 Cb 0.38 -1.90 -0.17 0.00 1.12 0.00 0.00 29.99 29.43 2k5n n HIS 71 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k5n s HIS 72 N -4.43 0.98 -0.65 4.41 -3.43 -1.26 -5.09 115.29 105.82 2k5n s HIS 72 Ca 0.00 -0.33 -0.25 0.00 -0.80 0.00 0.00 55.06 53.68 2k5n s HIS 72 Cb 0.00 -0.83 0.04 0.00 -1.43 0.00 0.00 32.58 30.36 2k5n s HIS 72 CO 0.00 -0.26 1.10 -1.01 -2.00 0.00 0.00 174.74 172.57 2k5n s HIS 73 N 1.05 2.56 -2.70 0.38 3.76 -1.26 -5.22 115.29 113.87 2k5n s HIS 73 Ca -0.09 -0.11 0.22 0.00 -0.15 0.00 0.00 55.06 54.94 2k5n s HIS 73 Cb -0.14 -4.38 0.17 0.00 1.11 0.00 0.00 32.58 29.33 2k5n s HIS 73 CO -0.01 -1.71 1.18 1.58 -0.85 0.00 0.00 174.74 174.94