#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 3.43 0.24 -5.12 0.00 -1.26 -4.60 121.76 114.44 2k5n s ALA 2 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 51.96 51.29 2k5n s ALA 2 Cb 0.00 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 2k5n s ALA 2 CO 0.00 -1.49 0.47 -1.64 0.00 0.00 0.00 175.76 173.10 2k5n s MET 3 N 3.13 3.60 -0.08 0.00 -1.94 -1.11 -4.81 119.30 118.09 2k5n s MET 3 Ca 0.32 -0.12 -0.01 0.00 -1.71 0.00 0.00 55.69 54.17 2k5n s MET 3 Cb -0.13 -2.74 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 2k5n s MET 3 CO 0.17 0.32 -0.02 0.54 -0.01 0.00 0.00 175.02 176.02 2k5n s ASN 4 N -3.03 5.07 0.23 3.03 4.22 -1.26 -1.95 114.94 121.25 2k5n s ASN 4 Ca 0.42 0.10 0.03 0.00 -2.14 0.00 0.00 52.86 51.26 2k5n s ASN 4 Cb -0.11 -1.39 -0.05 0.00 1.28 0.00 0.00 41.25 40.98 2k5n s ASN 4 CO 0.28 0.37 0.02 -0.83 -2.04 0.00 0.00 177.10 174.91 2k5n s GLY 5 N -0.85 1.55 -0.09 0.45 0.00 0.63 -2.67 107.32 106.33 2k5n s GLY 5 Ca 0.13 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.08 2k5n s GLY 5 CO 0.02 -1.63 -0.05 -0.51 0.00 0.00 0.00 173.10 170.92 2k5n s THR 6 N -3.52 3.83 -0.12 0.90 -4.23 -0.18 -0.03 115.64 112.29 2k5n s THR 6 Ca 0.30 -0.42 -0.29 0.00 -1.18 0.00 0.00 61.69 60.09 2k5n s THR 6 Cb 0.06 -2.59 -0.06 0.00 1.34 0.00 0.00 72.50 71.25 2k5n s THR 6 CO 0.09 0.58 1.89 -0.63 -0.54 0.00 0.00 174.62 176.01 2k5n s ILE 7 N -0.57 3.28 -0.13 2.99 -1.09 -0.38 -2.35 121.20 122.95 2k5n s ILE 7 Ca 0.09 0.32 -0.04 0.00 -2.23 0.00 0.00 60.65 58.79 2k5n s ILE 7 Cb -0.12 -3.27 -0.06 0.00 -1.58 0.00 0.00 42.46 37.42 2k5n s ILE 7 CO 0.02 -0.10 -0.15 0.35 -1.23 0.00 0.00 174.94 173.83 2k5n n THR 8 N 6.38 0.71 -4.63 2.92 -2.24 -1.16 -1.16 114.28 115.10 2k5n n THR 8 Ca 0.22 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.49 2k5n n THR 8 Cb 0.44 -1.46 -0.17 0.00 -2.10 0.00 0.00 70.33 67.03 2k5n n THR 8 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k5n s THR 9 N -2.24 1.79 -0.22 4.28 2.01 -0.81 -4.96 115.64 115.49 2k5n s THR 9 Ca -0.18 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 60.85 2k5n s THR 9 Cb 0.06 -1.60 0.07 0.00 0.01 0.00 0.00 72.50 71.04 2k5n s THR 9 CO 0.25 0.50 0.57 0.86 -0.69 0.00 0.00 174.62 176.10 2k5n s TRP 10 N 0.84 -0.78 -0.19 4.92 -0.11 -1.26 0.38 118.94 122.73 2k5n s TRP 10 Ca -0.08 1.68 0.01 0.00 1.22 0.00 0.00 56.10 58.93 2k5n s TRP 10 Cb -0.15 0.38 0.04 0.00 -1.50 0.00 0.00 33.47 32.24 2k5n s TRP 10 CO -0.01 -0.40 -0.12 -0.06 -4.62 0.00 0.00 176.95 171.75 2k5n s PHE 11 N 1.13 2.49 0.04 5.86 0.08 -0.81 -5.01 117.98 121.75 2k5n s PHE 11 Ca -0.07 -1.60 -0.25 0.00 0.12 0.00 0.00 56.93 55.13 2k5n s PHE 11 Cb -0.06 -1.69 -0.17 0.00 -0.57 0.00 0.00 43.02 40.53 2k5n s PHE 11 CO -0.11 -0.75 1.48 -0.22 -0.10 0.00 0.00 175.22 175.52 2k5n h LYS 12 N 7.96 -0.19 -0.00 0.44 3.11 -1.98 0.78 116.57 126.69 2k5n h LYS 12 Ca -0.31 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 2k5n h LYS 12 Cb 1.10 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 2k5n h LYS 12 CO 0.50 0.05 -0.10 -0.25 -2.81 0.00 0.00 179.45 176.83 2k5n n ASP 13 N -5.08 0.16 0.07 4.20 8.00 -1.26 -2.87 116.55 119.77 2k5n n ASP 13 Ca -0.09 0.08 -0.23 0.00 0.71 0.00 0.00 54.79 55.27 2k5n n ASP 13 Cb 0.18 -0.27 -0.15 0.00 -0.02 0.00 0.00 41.12 40.87 2k5n n ASP 13 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2k5n h LYS 14 N 0.09 0.39 0.00 -1.24 1.79 -1.94 -3.48 116.57 112.18 2k5n h LYS 14 Ca 0.00 -0.66 0.00 0.00 -2.18 0.00 0.00 60.65 57.81 2k5n h LYS 14 Cb 0.44 0.25 0.00 0.00 -1.58 0.00 0.00 32.23 31.33 2k5n h LYS 14 CO 0.00 1.31 0.00 0.41 -1.08 0.00 0.00 179.45 180.09 2k5n n GLY 15 N 1.87 0.75 3.28 3.86 0.00 0.25 -4.99 105.19 110.22 2k5n n GLY 15 Ca -0.25 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.62 2k5n n GLY 15 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2k5n s PHE 16 N -2.08 1.42 -0.01 1.61 -0.12 -1.23 0.17 117.98 117.75 2k5n s PHE 16 Ca 0.00 -1.19 -0.03 0.00 -0.05 0.00 0.00 56.93 55.66 2k5n s PHE 16 Cb 0.00 -0.81 0.01 0.00 -0.63 0.00 0.00 43.02 41.59 2k5n s PHE 16 CO 0.00 -0.37 0.13 0.41 -0.05 0.00 0.00 175.22 175.34 2k5n n GLY 17 N -0.40 0.42 2.90 1.99 0.00 -1.03 -1.93 105.19 107.15 2k5n n GLY 17 Ca -0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 2k5n n GLY 17 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2k5n s PHE 18 N -2.26 0.43 -0.07 1.61 0.08 0.16 -1.91 117.98 116.01 2k5n s PHE 18 Ca 0.03 -0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.03 2k5n s PHE 18 Cb -0.00 -0.38 0.01 0.00 -0.57 0.00 0.00 43.02 42.08 2k5n s PHE 18 CO -0.00 -0.08 -0.15 0.42 -0.10 0.00 0.00 175.22 175.31 2k5n s ILE 19 N 0.43 1.35 -0.30 0.64 1.01 -1.17 -1.92 121.20 121.25 2k5n s ILE 19 Ca -0.05 -0.60 -0.19 0.00 0.00 0.00 0.00 60.65 59.82 2k5n s ILE 19 Cb -0.08 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 2k5n s ILE 19 CO -0.01 0.40 0.54 -0.54 0.00 0.00 0.00 174.94 175.34 2k5n s LYS 20 N 0.61 3.87 0.20 2.79 -0.14 -0.99 -2.27 119.74 123.81 2k5n s LYS 20 Ca -0.15 0.15 0.03 0.00 -1.36 0.00 0.00 55.97 54.64 2k5n s LYS 20 Cb -0.16 -3.73 0.03 0.00 -1.68 0.00 0.00 37.83 32.29 2k5n s LYS 20 CO 0.05 -0.51 0.25 -0.40 -0.76 0.00 0.00 175.35 173.97 2k5n n ASP 21 N 5.71 0.95 0.23 2.83 5.75 -0.93 -1.01 116.55 130.08 2k5n n ASP 21 Ca -0.04 -1.57 0.07 0.00 -0.01 0.00 0.00 54.79 53.24 2k5n n ASP 21 Cb 0.49 -0.12 0.54 0.00 -1.03 0.00 0.00 41.12 41.01 2k5n n ASP 21 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2k5n h GLU 22 N 0.00 0.00 0.00 0.11 5.08 -1.85 -2.09 114.58 115.83 2k5n h GLU 22 Ca -0.10 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.20 2k5n h GLU 22 Cb 0.44 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k5n h GLU 22 CO 0.15 0.17 -0.28 -0.97 -1.00 0.00 0.00 179.01 177.08 2k5n h ASN 23 N 0.00 0.00 0.00 1.42 -0.73 -1.94 -3.46 115.58 110.86 2k5n h ASN 23 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2k5n h ASN 23 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 2k5n h ASN 23 CO 0.02 0.28 0.00 0.61 -0.37 0.00 0.00 177.43 177.97 2k5n n GLY 24 N -0.05 2.08 0.00 1.57 0.00 -0.79 -5.10 105.19 102.91 2k5n n GLY 24 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2k5n n GLY 24 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2k5n n ASP 25 N 0.00 0.86 -4.34 1.61 2.03 -1.26 -4.79 116.55 110.65 2k5n n ASP 25 Ca 0.00 -0.31 -0.28 0.00 0.52 0.00 0.00 54.79 54.72 2k5n n ASP 25 Cb 0.00 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.27 2k5n n ASP 25 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2k5n s ASN 26 N -0.41 3.01 0.05 1.67 2.20 -1.26 -2.18 114.94 118.02 2k5n s ASN 26 Ca 0.00 -0.67 0.05 0.00 -0.94 0.00 0.00 52.86 51.30 2k5n s ASN 26 Cb 0.00 -0.22 -0.04 0.00 -2.00 0.00 0.00 41.25 38.99 2k5n s ASN 26 CO 0.00 0.17 -0.07 -0.13 -2.94 0.00 0.00 177.10 174.13 2k5n s ARG 27 N -1.71 2.39 -0.23 3.55 3.00 -0.96 -4.51 118.95 120.48 2k5n s ARG 27 Ca 0.11 -0.85 -0.24 0.00 0.00 0.00 0.00 55.73 54.75 2k5n s ARG 27 Cb -0.10 -2.43 -0.01 0.00 0.00 0.00 0.00 34.95 32.41 2k5n s ARG 27 CO 0.04 0.56 0.79 -0.47 0.00 0.00 0.00 175.30 176.22 2k5n s TYR 28 N -1.11 3.33 0.17 -0.53 5.04 0.17 -3.02 117.35 121.42 2k5n s TYR 28 Ca 0.20 1.11 0.07 0.00 -2.44 0.00 0.00 57.07 56.00 2k5n s TYR 28 Cb -0.11 -3.00 -0.04 0.00 0.35 0.00 0.00 41.96 39.16 2k5n s TYR 28 CO 0.11 -0.35 0.03 -0.06 -1.34 0.00 0.00 175.55 173.94 2k5n s PHE 29 N 2.63 2.90 -0.07 4.97 0.40 -0.80 -4.06 117.98 123.94 2k5n s PHE 29 Ca 0.34 -0.12 -0.05 0.00 -0.60 0.00 0.00 56.93 56.51 2k5n s PHE 29 Cb -0.16 -1.40 0.03 0.00 0.51 0.00 0.00 43.02 42.01 2k5n s PHE 29 CO 0.08 0.52 0.18 -1.58 0.70 0.00 0.00 175.22 175.13 2k5n s HIS 30 N -1.75 -0.21 0.57 0.36 2.46 -1.26 -2.46 115.29 113.00 2k5n s HIS 30 Ca 0.28 0.54 0.30 0.00 0.47 0.00 0.00 55.06 56.65 2k5n s HIS 30 Cb -0.09 0.02 1.44 0.00 -0.13 0.00 0.00 32.58 33.81 2k5n s HIS 30 CO 0.20 -0.14 1.83 -0.24 -2.47 0.00 0.00 174.74 173.91 2k5n h VAL 31 N 5.45 0.37 0.00 0.89 3.04 -0.66 -0.56 116.25 124.79 2k5n h VAL 31 Ca -0.34 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.32 2k5n h VAL 31 Cb 1.17 0.52 -0.00 0.00 -2.01 0.00 0.00 31.29 30.97 2k5n h VAL 31 CO 0.40 0.00 -0.13 -0.29 -1.01 0.00 0.00 177.57 176.54 2k5n h ILE 32 N 0.00 0.67 -0.67 3.17 2.10 -1.97 -1.29 117.51 119.52 2k5n h ILE 32 Ca 0.33 -0.56 0.00 0.00 1.08 0.00 0.00 64.86 65.71 2k5n h ILE 32 Cb 1.59 1.35 0.00 0.00 -1.09 0.00 0.00 36.82 38.67 2k5n h ILE 32 CO -0.00 0.13 0.00 0.29 -1.08 0.00 0.00 178.15 177.49 2k5n n LYS 33 N -3.76 3.06 -3.59 2.19 4.76 -0.22 -4.91 118.16 115.70 2k5n n LYS 33 Ca -0.02 -2.69 -0.36 0.00 -2.87 0.00 0.00 58.31 52.37 2k5n n LYS 33 Cb 0.24 -1.65 -0.08 0.00 -1.84 0.00 0.00 35.03 31.70 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 -1.29 5.33 0.09 -0.18 1.01 -0.49 -0.84 120.40 124.02 2k5n s VAL 34 Ca 0.47 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.90 2k5n s VAL 34 Cb 0.27 -3.57 -0.22 0.00 0.00 0.00 0.00 36.38 32.86 2k5n s VAL 34 CO 0.29 0.36 1.15 0.00 0.00 0.00 0.00 175.10 176.90 2k5n h ALA 35 N 7.10 0.40 -2.25 5.51 0.00 -1.16 -3.41 119.26 125.46 2k5n h ALA 35 Ca -0.39 -1.01 -0.54 0.00 0.00 0.00 0.00 54.91 52.97 2k5n h ALA 35 Cb 1.16 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 18.57 2k5n h ALA 35 CO 0.72 1.28 -0.91 0.54 0.00 0.00 0.00 179.25 180.88 2k5n s ASN 36 N -6.65 1.29 0.47 0.00 4.22 -1.26 -4.97 114.94 108.05 2k5n s ASN 36 Ca -0.01 -2.81 0.29 0.00 -2.14 0.00 0.00 52.86 48.20 2k5n s ASN 36 Cb 0.09 -0.18 1.04 0.00 1.28 0.00 0.00 41.25 43.48 2k5n s ASN 36 CO 0.83 -0.18 1.85 1.55 -2.04 0.00 0.00 177.10 179.11 2k5n h PRO 37 N 5.77 0.00 0.00 3.55 0.13 -1.92 -3.03 132.00 136.50 2k5n h PRO 37 Ca 0.22 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.32 2k5n h PRO 37 Cb 0.94 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2k5n h PRO 37 CO 0.32 0.00 -0.17 0.22 -0.23 0.00 0.00 178.00 178.14 2k5n h ASP 38 N 0.00 0.00 -0.66 1.44 3.58 -1.96 -2.87 116.42 115.95 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 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 2k5n h ASP 38 CO 0.00 0.17 0.00 0.18 -2.88 0.00 0.00 179.24 176.71 2k5n n LEU 39 N -3.36 3.78 -4.65 2.28 4.77 -1.14 -4.91 117.00 113.76 2k5n n LEU 39 Ca -0.00 -1.97 -0.43 0.00 -0.03 0.00 0.00 56.01 53.59 2k5n n LEU 39 Cb 0.39 -0.44 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2k5n n LEU 39 CO 0.32 0.94 0.86 -0.63 -1.33 0.00 0.00 177.39 177.55 2k5n s ILE 40 N -1.03 4.66 0.19 -0.08 1.01 -1.09 -4.88 121.20 119.98 2k5n s ILE 40 Ca 0.45 1.78 0.07 0.00 0.00 0.00 0.00 60.65 62.94 2k5n s ILE 40 Cb 0.23 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2k5n s ILE 40 CO 0.31 -0.27 -0.13 -0.54 0.00 0.00 0.00 174.94 174.30 2k5n s LYS 41 N 3.28 1.25 0.37 2.79 1.02 -1.26 -5.09 119.74 122.10 2k5n s LYS 41 Ca 0.42 -1.54 -0.24 0.00 0.02 0.00 0.00 55.97 54.63 2k5n s LYS 41 Cb -0.14 -1.00 -0.10 0.00 -0.52 0.00 0.00 37.83 36.08 2k5n s LYS 41 CO 0.10 0.16 0.99 0.21 -0.92 0.00 0.00 175.35 175.89 2k5n s LYS 42 N -3.62 4.35 0.00 1.68 2.20 -1.26 -2.97 119.74 120.13 2k5n s LYS 42 Ca 0.20 1.36 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2k5n s LYS 42 Cb -0.00 -2.58 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 2k5n s LYS 42 CO 0.05 0.06 0.00 -3.47 -0.36 0.00 0.00 175.35 171.63 2k5n n ASP 43 N 0.08 -1.56 -4.89 1.43 2.03 -0.31 -4.94 116.55 108.39 2k5n n ASP 43 Ca 0.04 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 2k5n n ASP 43 Cb 0.51 -1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 39.68 2k5n n ASP 43 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k5n s ALA 44 N -2.40 3.46 -0.09 -1.67 0.00 -1.16 -4.73 121.76 115.18 2k5n s ALA 44 Ca 0.00 -0.41 -0.10 0.00 0.00 0.00 0.00 51.96 51.45 2k5n s ALA 44 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 2k5n s ALA 44 CO 0.00 -0.03 0.23 0.00 0.00 0.00 0.00 175.76 175.96 2k5n s ALA 45 N -2.38 3.80 0.07 0.00 0.00 -1.26 -1.25 121.76 120.74 2k5n s ALA 45 Ca 0.48 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.99 2k5n s ALA 45 Cb -0.10 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.86 2k5n s ALA 45 CO 0.35 0.54 -0.16 0.14 0.00 0.00 0.00 175.76 176.62 2k5n s VAL 46 N -0.92 1.32 -0.11 0.00 -7.23 0.95 -0.58 120.40 113.83 2k5n s VAL 46 Ca 0.17 -1.29 -0.01 0.00 -1.81 0.00 0.00 61.98 59.05 2k5n s VAL 46 Cb -0.13 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2k5n s VAL 46 CO 0.07 -0.09 -0.07 0.42 -0.31 0.00 0.00 175.10 175.11 2k5n s THR 47 N -1.11 3.61 0.20 5.32 -4.23 0.83 -0.27 115.64 119.98 2k5n s THR 47 Ca 0.02 -0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 59.95 2k5n s THR 47 Cb -0.09 -2.52 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 2k5n s THR 47 CO 0.03 0.55 0.32 0.72 -0.54 0.00 0.00 174.62 175.70 2k5n s PHE 48 N -0.18 0.50 0.06 3.99 -0.12 -0.82 -1.05 117.98 120.36 2k5n s PHE 48 Ca 0.02 -0.84 -0.14 0.00 -0.05 0.00 0.00 56.93 55.92 2k5n s PHE 48 Cb -0.13 -0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.15 2k5n s PHE 48 CO 0.03 -0.79 0.46 -1.21 -0.05 0.00 0.00 175.22 173.65 2k5n s GLU 49 N -4.01 3.92 0.06 1.99 0.41 0.67 -2.76 118.70 118.97 2k5n s GLU 49 Ca 0.22 0.41 -0.27 0.00 -0.41 0.00 0.00 54.97 54.92 2k5n s GLU 49 Cb 0.03 -3.10 -0.05 0.00 -1.78 0.00 0.00 34.13 29.23 2k5n s GLU 49 CO 0.05 0.60 0.84 -1.25 -0.49 0.00 0.00 175.26 175.01 2k5n s PRO 50 N -1.51 4.56 0.14 0.39 0.05 -1.26 -1.22 135.00 136.15 2k5n s PRO 50 Ca 0.30 1.21 -0.15 0.00 0.05 0.00 0.00 61.00 62.41 2k5n s PRO 50 Cb -0.16 -3.38 0.03 0.00 0.05 0.00 0.00 34.50 31.04 2k5n s PRO 50 CO 0.17 0.22 0.40 -0.08 0.05 0.00 0.00 177.00 177.75 2k5n s THR 51 N 0.10 0.07 0.02 1.26 -1.32 -0.60 -4.89 115.64 110.28 2k5n s THR 51 Ca 0.42 -0.74 -0.01 0.00 -1.21 0.00 0.00 61.69 60.16 2k5n s THR 51 Cb -0.21 -1.32 -0.04 0.00 -1.51 0.00 0.00 72.50 69.42 2k5n s THR 51 CO 0.25 -0.30 0.16 -0.89 -2.21 0.00 0.00 174.62 171.62 2k5n s THR 52 N -3.84 5.16 0.22 5.08 2.01 -1.26 -1.20 115.64 121.81 2k5n s THR 52 Ca 0.06 -0.36 0.09 0.00 0.31 0.00 0.00 61.69 61.79 2k5n s THR 52 Cb 0.02 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2k5n s THR 52 CO -0.09 0.25 -0.06 0.21 -0.69 0.00 0.00 174.62 174.24 2k5n s ASN 53 N -2.12 4.36 0.44 3.53 3.84 0.40 -4.76 114.94 120.62 2k5n s ASN 53 Ca 0.29 -0.62 0.15 0.00 0.21 0.00 0.00 52.86 52.89 2k5n s ASN 53 Cb -0.13 -0.76 1.06 0.00 -0.55 0.00 0.00 41.25 40.87 2k5n s ASN 53 CO 0.21 0.06 1.95 0.78 -2.79 0.00 0.00 177.10 177.31 2k5n h ASN 54 N 2.47 0.36 0.00 -4.21 2.35 -1.99 -3.18 115.58 111.37 2k5n h ASN 54 Ca -0.45 0.01 -0.39 0.00 -0.55 0.00 0.00 56.30 54.92 2k5n h ASN 54 Cb 1.22 -0.06 -0.06 0.00 0.05 0.00 0.00 38.32 39.47 2k5n h ASN 54 CO 0.57 0.20 -2.38 1.17 -1.65 0.00 0.00 177.43 175.34 2k5n n LYS 55 N -4.47 0.56 0.00 0.81 4.81 -1.26 -5.10 118.16 113.52 2k5n n LYS 55 Ca 0.12 0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 2k5n n LYS 55 Cb 0.46 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.07 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k5n n GLY 56 N 1.88 4.73 3.86 3.14 0.00 -1.20 -5.16 105.19 112.44 2k5n n GLY 56 Ca -0.46 -0.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.71 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 4.10 0.19 0.99 1.43 -1.26 -0.46 118.68 123.67 2k5n s LEU 57 Ca 0.00 0.11 -0.07 0.00 -1.03 0.00 0.00 54.13 53.14 2k5n s LEU 57 Cb 0.00 -2.72 -0.02 0.00 0.03 0.00 0.00 46.19 43.48 2k5n s LEU 57 CO 0.00 0.14 0.26 -0.94 0.23 0.00 0.00 176.35 176.04 2k5n s SER 58 N -2.65 0.08 0.01 2.29 1.04 -0.34 -0.65 113.70 113.48 2k5n s SER 58 Ca 0.32 -1.06 -0.01 0.00 0.48 0.00 0.00 55.95 55.68 2k5n s SER 58 Cb -0.12 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2k5n s SER 58 CO 0.25 -0.91 0.01 0.00 0.98 0.00 0.00 173.24 173.57 2k5n s ALA 59 N -4.04 0.02 0.42 5.32 0.00 -1.26 -1.56 121.76 120.67 2k5n s ALA 59 Ca 0.25 -0.44 0.07 0.00 0.00 0.00 0.00 51.96 51.84 2k5n s ALA 59 Cb 0.04 0.12 -0.06 0.00 0.00 0.00 0.00 23.12 23.22 2k5n s ALA 59 CO 0.05 -0.15 0.07 0.71 0.00 0.00 0.00 175.76 176.44 2k5n s TYR 60 N -1.29 2.47 -1.33 0.00 2.02 -0.36 -4.81 117.35 114.05 2k5n s TYR 60 Ca -0.14 -0.67 -0.10 0.00 -0.37 0.00 0.00 57.07 55.79 2k5n s TYR 60 Cb -0.09 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.65 2k5n s TYR 60 CO -0.00 0.32 0.50 0.00 -1.57 0.00 0.00 175.55 174.80 2k5n n ALA 61 N -1.10 -2.22 -2.10 3.71 0.00 -1.24 -0.24 120.51 117.31 2k5n n ALA 61 Ca -0.05 -0.32 -0.39 0.00 0.00 0.00 0.00 53.44 52.69 2k5n n ALA 61 Cb 0.66 -2.23 -0.03 0.00 0.00 0.00 0.00 19.45 17.86 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 -3.83 3.41 -0.21 0.00 1.01 -0.02 -4.35 120.40 116.41 2k5n s VAL 62 Ca 0.18 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.41 2k5n s VAL 62 Cb -0.08 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2k5n s VAL 62 CO 0.90 -0.99 -0.14 -0.75 0.00 0.00 0.00 175.10 174.12 2k5n s LYS 63 N 6.82 2.85 0.58 2.72 2.20 -0.21 -0.61 119.74 134.09 2k5n s LYS 63 Ca 0.64 -0.94 -0.18 0.00 -0.36 0.00 0.00 55.97 55.13 2k5n s LYS 63 Cb -0.12 -2.76 -0.04 0.00 -1.51 0.00 0.00 37.83 33.40 2k5n s LYS 63 CO 0.21 -0.32 1.12 0.08 -0.36 0.00 0.00 175.35 176.08 2k5n s VAL 64 N 1.28 3.18 -0.83 4.02 1.01 -1.26 -0.12 120.40 127.68 2k5n s VAL 64 Ca 0.01 0.67 -0.10 0.00 0.00 0.00 0.00 61.98 62.56 2k5n s VAL 64 Cb -0.15 -3.23 0.21 0.00 0.00 0.00 0.00 36.38 33.21 2k5n s VAL 64 CO -0.09 -0.22 0.74 -0.69 0.00 0.00 0.00 175.10 174.85 2k5n s VAL 65 N -1.95 5.18 0.21 2.92 1.01 0.26 -4.79 120.40 123.24 2k5n s VAL 65 Ca 0.71 -2.79 -0.28 0.00 0.00 0.00 0.00 61.98 59.62 2k5n s VAL 65 Cb -0.23 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.85 2k5n s VAL 65 CO 0.32 -1.02 0.86 -2.16 0.00 0.00 0.00 175.10 173.10 2k5n s PRO 66 N -0.17 4.72 0.07 2.72 0.05 -1.26 -4.58 135.00 136.54 2k5n s PRO 66 Ca 0.20 1.33 0.26 0.00 0.05 0.00 0.00 61.00 62.84 2k5n s PRO 66 Cb -0.12 -3.26 0.76 0.00 0.05 0.00 0.00 34.50 31.92 2k5n s PRO 66 CO -0.08 0.54 1.62 1.47 0.05 0.00 0.00 177.00 180.61 2k5n n LEU 67 N 1.52 0.45 -4.69 -3.56 -0.00 -1.26 -4.83 117.00 104.62 2k5n n LEU 67 Ca -0.04 0.32 -0.29 0.00 -0.00 0.00 0.00 56.01 56.01 2k5n n LEU 67 Cb 0.48 -0.33 -0.08 0.00 -0.00 0.00 0.00 43.42 43.50 2k5n n LEU 67 CO 0.48 -0.02 -0.32 -0.70 -0.00 0.00 0.00 177.39 176.84 2k5n s GLU 68 N -3.06 2.55 0.25 1.47 2.56 -1.26 -5.02 118.70 116.19 2k5n s GLU 68 Ca 0.11 -0.92 0.25 0.00 0.00 0.00 0.00 54.97 54.41 2k5n s GLU 68 Cb 0.16 -2.50 0.67 0.00 2.00 0.00 0.00 34.13 34.46 2k5n s GLU 68 CO 0.63 0.51 1.70 0.45 -0.56 0.00 0.00 175.26 177.99 2k5n h HIS 69 N 3.09 0.00 0.00 5.30 3.86 -2.05 -3.47 115.15 121.89 2k5n h HIS 69 Ca -0.47 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.74 2k5n h HIS 69 Cb 1.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.65 2k5n h HIS 69 CO 0.61 0.00 0.00 1.58 0.86 0.00 0.00 177.93 180.98 2k5n n HIS 70 N -2.43 0.00 -1.04 2.45 -0.00 -1.26 -4.92 115.22 108.03 2k5n n HIS 70 Ca 0.05 0.00 0.13 0.00 0.46 0.00 0.00 57.72 58.36 2k5n n HIS 70 Cb 0.45 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.26 2k5n n HIS 70 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k5n n HIS 71 N 0.00 -2.77 -4.91 1.57 8.25 -1.26 -5.00 115.22 111.11 2k5n n HIS 71 Ca 0.00 1.51 0.00 0.00 -0.26 0.00 0.00 57.72 58.97 2k5n n HIS 71 Cb 0.00 -2.52 0.00 0.00 1.12 0.00 0.00 29.99 28.59 2k5n n HIS 71 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5n n HIS 72 N -3.73 -1.38 0.01 4.41 8.25 -1.26 -4.77 115.22 116.75 2k5n n HIS 72 Ca -0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 2k5n n HIS 72 Cb 0.49 0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.83 2k5n n HIS 72 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2k5n n HIS 73 N -0.79 0.00 -1.95 4.41 -0.00 -1.26 -5.25 115.22 110.38 2k5n n HIS 73 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2k5n n HIS 73 Cb 0.00 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 29.73 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38