#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k5n n ALA 2 N 0.00 0.00 -2.76 3.04 0.00 -1.26 -4.96 120.51 114.57 2k5n n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2k5n n ALA 2 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2k5n n ALA 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 2k5n s MET 3 N 0.00 1.21 0.08 0.00 -2.45 -0.73 -4.97 119.30 112.43 2k5n s MET 3 Ca 0.00 -1.19 0.09 0.00 -1.25 0.00 0.00 55.69 53.34 2k5n s MET 3 Cb 0.00 0.39 -0.03 0.00 1.25 0.00 0.00 34.83 36.44 2k5n s MET 3 CO 0.00 -0.45 -0.25 -0.80 1.05 0.00 0.00 175.02 174.57 2k5n s ASN 4 N -2.98 2.99 0.10 1.11 -0.87 -1.26 -2.00 114.94 112.03 2k5n s ASN 4 Ca 0.18 -0.63 -0.03 0.00 -1.57 0.00 0.00 52.86 50.81 2k5n s ASN 4 Cb 0.03 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.25 41.00 2k5n s ASN 4 CO 0.01 0.19 0.08 -0.83 -2.57 0.00 0.00 177.10 173.98 2k5n s GLY 5 N -1.53 0.56 -0.09 0.66 0.00 -0.94 -2.20 107.32 103.78 2k5n s GLY 5 Ca 0.11 -1.14 0.02 0.00 0.00 0.00 0.00 44.72 43.71 2k5n s GLY 5 CO 0.03 -1.18 -0.14 -1.59 0.00 0.00 0.00 173.10 170.23 2k5n s THR 6 N -3.95 3.06 -0.12 0.90 2.01 0.11 0.03 115.64 117.67 2k5n s THR 6 Ca 0.13 -0.69 -0.29 0.00 0.31 0.00 0.00 61.69 61.15 2k5n s THR 6 Cb 0.07 -2.24 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2k5n s THR 6 CO -0.05 0.56 1.32 -0.63 -0.69 0.00 0.00 174.62 175.12 2k5n s ILE 7 N -0.17 4.14 0.02 1.82 1.01 0.25 -0.78 121.20 127.49 2k5n s ILE 7 Ca -0.00 1.40 -0.02 0.00 0.00 0.00 0.00 60.65 62.03 2k5n s ILE 7 Cb -0.13 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.42 2k5n s ILE 7 CO 0.03 -0.10 -0.05 0.35 0.00 0.00 0.00 174.94 175.17 2k5n n THR 8 N 5.23 0.86 -4.33 2.92 -2.24 -1.20 -3.49 114.28 112.03 2k5n n THR 8 Ca 0.14 0.21 -0.33 0.00 -2.27 0.00 0.00 64.05 61.79 2k5n n THR 8 Cb 0.45 -1.64 -0.16 0.00 -2.10 0.00 0.00 70.33 66.88 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 -2.11 2.44 -0.12 4.28 2.01 -0.82 -4.98 115.64 116.35 2k5n s THR 9 Ca -0.05 -0.83 -0.04 0.00 0.31 0.00 0.00 61.69 61.09 2k5n s THR 9 Cb 0.01 -2.03 0.05 0.00 0.01 0.00 0.00 72.50 70.54 2k5n s THR 9 CO 0.06 0.52 0.10 0.86 -0.69 0.00 0.00 174.62 175.47 2k5n s TRP 10 N 1.07 0.07 -1.12 4.92 -0.11 -1.26 0.97 118.94 123.47 2k5n s TRP 10 Ca -0.01 0.02 -0.15 0.00 1.22 0.00 0.00 56.10 57.18 2k5n s TRP 10 Cb -0.14 -0.55 0.16 0.00 -1.50 0.00 0.00 33.47 31.44 2k5n s TRP 10 CO -0.05 -0.39 1.34 -0.06 -4.62 0.00 0.00 176.95 173.17 2k5n s PHE 11 N 2.18 3.38 0.39 5.86 0.08 0.10 -4.81 117.98 125.17 2k5n s PHE 11 Ca 0.04 -1.91 0.08 0.00 0.12 0.00 0.00 56.93 55.26 2k5n s PHE 11 Cb -0.14 -4.31 0.79 0.00 -0.57 0.00 0.00 43.02 38.80 2k5n s PHE 11 CO -0.07 -1.42 1.96 -0.22 -0.10 0.00 0.00 175.22 175.37 2k5n h LYS 12 N 7.67 0.37 -0.55 0.44 3.64 -1.96 0.54 116.57 126.72 2k5n h LYS 12 Ca 0.27 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.53 2k5n h LYS 12 Cb 0.92 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2k5n h LYS 12 CO 1.20 0.39 0.14 0.22 -2.27 0.00 0.00 179.45 179.13 2k5n h ASP 13 N 0.37 0.84 0.04 4.20 3.58 -1.94 -3.33 116.42 120.18 2k5n h ASP 13 Ca 0.09 -0.23 -0.17 0.00 0.42 0.00 0.00 57.03 57.14 2k5n h ASP 13 Cb 0.22 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2k5n h ASP 13 CO 0.00 0.85 -0.87 0.11 -2.88 0.00 0.00 179.24 176.45 2k5n h LYS 14 N 0.78 0.09 0.00 0.28 6.56 -1.73 -3.49 116.57 119.07 2k5n h LYS 14 Ca 0.17 -0.16 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2k5n h LYS 14 Cb 0.34 0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.06 2k5n h LYS 14 CO 0.00 1.07 0.00 0.41 -2.06 0.00 0.00 179.45 178.88 2k5n n GLY 15 N 1.59 1.44 3.26 3.86 0.00 0.18 -5.04 105.19 110.49 2k5n n GLY 15 Ca -0.22 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.00 1.41 0.01 1.61 -0.71 -1.15 0.29 117.98 117.43 2k5n s PHE 16 Ca 0.00 -1.40 -0.03 0.00 -1.04 0.00 0.00 56.93 54.46 2k5n s PHE 16 Cb 0.00 -0.70 0.01 0.00 -1.21 0.00 0.00 43.02 41.13 2k5n s PHE 16 CO 0.00 -0.61 0.15 0.41 -1.34 0.00 0.00 175.22 173.82 2k5n n GLY 17 N -0.42 0.80 2.82 1.99 0.00 -0.41 0.02 105.19 110.00 2k5n n GLY 17 Ca 0.02 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.84 0.37 -0.07 1.61 0.08 0.27 -0.59 117.98 115.81 2k5n s PHE 18 Ca 0.03 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.10 2k5n s PHE 18 Cb -0.00 -0.45 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 2k5n s PHE 18 CO 0.00 -0.14 -0.19 0.42 -0.10 0.00 0.00 175.22 175.21 2k5n s ILE 19 N 1.05 1.65 -0.30 0.64 1.01 -1.17 -1.93 121.20 122.15 2k5n s ILE 19 Ca -0.09 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.46 2k5n s ILE 19 Cb -0.14 -1.44 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2k5n s ILE 19 CO -0.02 0.47 1.07 -0.54 0.00 0.00 0.00 174.94 175.92 2k5n s LYS 20 N 0.27 4.11 0.00 2.79 -0.14 0.04 -1.93 119.74 124.88 2k5n s LYS 20 Ca -0.12 1.13 0.00 0.00 -1.36 0.00 0.00 55.97 55.62 2k5n s LYS 20 Cb -0.15 -3.72 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 2k5n s LYS 20 CO 0.05 -0.84 0.00 -0.25 -0.76 0.00 0.00 175.35 173.55 2k5n n ASP 21 N 6.75 -0.25 0.12 2.83 9.92 0.63 0.09 116.55 136.64 2k5n n ASP 21 Ca 0.12 -0.73 0.13 0.00 -0.53 0.00 0.00 54.79 53.78 2k5n n ASP 21 Cb 0.47 0.00 0.32 0.00 -0.64 0.00 0.00 41.12 41.27 2k5n n ASP 21 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2k5n h GLU 22 N 0.00 0.00 0.00 -1.24 4.22 -1.75 -3.14 114.58 112.67 2k5n h GLU 22 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k5n h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k5n h GLU 22 CO 0.00 0.00 0.00 0.09 -2.18 0.00 0.00 179.01 176.92 2k5n n ASN 23 N -2.39 0.75 0.00 1.04 3.02 -1.26 -4.92 115.26 111.51 2k5n n ASN 23 Ca 0.05 0.60 0.00 0.00 -0.03 0.00 0.00 54.58 55.20 2k5n n ASN 23 Cb 0.45 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 2k5n n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k5n n GLY 24 N 0.88 2.02 2.17 7.41 0.00 -1.19 -5.05 105.19 111.43 2k5n n GLY 24 Ca 0.04 -0.18 -0.15 0.00 0.00 0.00 0.00 46.02 45.73 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 0.10 2.00 -4.66 1.61 2.03 -1.26 -4.66 116.55 111.72 2k5n n ASP 25 Ca 0.00 -2.08 -0.31 0.00 0.52 0.00 0.00 54.79 52.92 2k5n n ASP 25 Cb 0.00 -0.02 -0.09 0.00 -0.72 0.00 0.00 41.12 40.29 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 -2.84 4.90 0.29 1.67 6.03 -1.26 -0.27 114.94 123.46 2k5n s ASN 26 Ca 0.18 -0.16 0.03 0.00 -1.03 0.00 0.00 52.86 51.88 2k5n s ASN 26 Cb -0.01 -1.16 -0.03 0.00 -3.03 0.00 0.00 41.25 37.02 2k5n s ASN 26 CO 0.11 0.21 0.44 -0.13 -2.03 0.00 0.00 177.10 175.71 2k5n s ARG 27 N -2.00 3.42 -0.55 3.55 0.52 -0.81 -4.86 118.95 118.23 2k5n s ARG 27 Ca 0.23 -0.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.56 2k5n s ARG 27 Cb -0.11 -2.80 0.04 0.00 0.52 0.00 0.00 34.95 32.60 2k5n s ARG 27 CO 0.14 0.29 0.96 -0.47 0.02 0.00 0.00 175.30 176.25 2k5n s TYR 28 N -2.12 2.79 0.21 -0.53 5.04 0.50 -3.06 117.35 120.17 2k5n s TYR 28 Ca 0.37 0.05 -0.00 0.00 -2.44 0.00 0.00 57.07 55.05 2k5n s TYR 28 Cb -0.09 -4.11 -0.04 0.00 0.35 0.00 0.00 41.96 38.07 2k5n s TYR 28 CO 0.32 -1.35 0.39 -0.06 -1.34 0.00 0.00 175.55 173.50 2k5n s PHE 29 N 4.02 3.48 -0.13 4.97 0.40 0.25 -4.18 117.98 126.79 2k5n s PHE 29 Ca 0.32 0.32 -0.09 0.00 -0.60 0.00 0.00 56.93 56.88 2k5n s PHE 29 Cb -0.12 -1.84 0.05 0.00 0.51 0.00 0.00 43.02 41.62 2k5n s PHE 29 CO 0.20 0.38 0.33 -1.58 0.70 0.00 0.00 175.22 175.25 2k5n s HIS 30 N -1.88 -0.43 0.42 0.36 2.46 -1.26 -1.28 115.29 113.67 2k5n s HIS 30 Ca 0.38 0.99 0.24 0.00 0.47 0.00 0.00 55.06 57.14 2k5n s HIS 30 Cb -0.11 0.15 1.26 0.00 -0.13 0.00 0.00 32.58 33.75 2k5n s HIS 30 CO 0.29 -0.25 1.70 -0.24 -2.47 0.00 0.00 174.74 173.77 2k5n h VAL 31 N 5.33 0.33 0.00 0.89 3.04 -0.54 -0.00 116.25 125.30 2k5n h VAL 31 Ca -0.34 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.26 2k5n h VAL 31 Cb 1.18 0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2k5n h VAL 31 CO 0.32 0.04 -0.04 -0.29 -1.01 0.00 0.00 177.57 176.59 2k5n h ILE 32 N 0.24 0.70 -0.52 3.17 2.10 -1.97 -1.07 117.51 120.16 2k5n h ILE 32 Ca 0.70 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.47 2k5n h ILE 32 Cb 2.02 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.84 2k5n h ILE 32 CO -0.36 0.04 0.00 0.29 -1.08 0.00 0.00 178.15 177.05 2k5n n LYS 33 N -4.01 2.69 -4.11 2.19 4.76 -0.02 -4.90 118.16 114.76 2k5n n LYS 33 Ca -0.03 -2.33 -0.35 0.00 -2.87 0.00 0.00 58.31 52.74 2k5n n LYS 33 Cb 0.13 -1.43 -0.11 0.00 -1.84 0.00 0.00 35.03 31.77 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 -1.04 4.29 0.19 -0.18 1.01 -0.41 -1.49 120.40 122.77 2k5n s VAL 34 Ca 0.36 -0.21 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 2k5n s VAL 34 Cb 0.19 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.58 2k5n s VAL 34 CO 0.25 0.45 1.49 0.00 0.00 0.00 0.00 175.10 177.29 2k5n h ALA 35 N 7.05 0.68 -2.15 5.51 0.00 -0.92 -3.37 119.26 126.07 2k5n h ALA 35 Ca -0.35 -0.53 -0.58 0.00 0.00 0.00 0.00 54.91 53.45 2k5n h ALA 35 Cb 1.18 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 18.49 2k5n h ALA 35 CO 0.64 0.70 -0.95 0.27 0.00 0.00 0.00 179.25 179.91 2k5n n ASN 36 N -3.93 0.99 0.27 0.00 0.23 -1.25 -4.95 115.26 106.61 2k5n n ASN 36 Ca -0.03 -2.83 0.16 0.00 -0.53 0.00 0.00 54.58 51.34 2k5n n ASN 36 Cb 0.63 -0.64 0.61 0.00 -2.08 0.00 0.00 39.78 38.30 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 -0.93 0.00 0.00 177.26 177.88 2k5n h PRO 37 N 4.34 0.00 0.00 -0.53 0.13 -1.89 -2.34 132.00 131.71 2k5n h PRO 37 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2k5n h PRO 37 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2k5n h PRO 37 CO 0.54 0.02 -0.07 0.22 -0.23 0.00 0.00 178.00 178.48 2k5n h ASP 38 N 0.00 0.00 -0.24 1.44 3.58 -1.95 -3.01 116.42 116.24 2k5n h ASP 38 Ca -0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2k5n h ASP 38 Cb 0.59 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k5n h ASP 38 CO 0.00 0.01 0.00 0.18 -2.88 0.00 0.00 179.24 176.55 2k5n n LEU 39 N -2.47 2.65 -4.60 2.28 4.77 -0.88 -4.85 117.00 113.89 2k5n n LEU 39 Ca 0.05 -1.08 -0.43 0.00 -0.03 0.00 0.00 56.01 54.51 2k5n n LEU 39 Cb 0.46 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.38 2k5n n LEU 39 CO 0.32 0.54 1.28 -0.63 -1.33 0.00 0.00 177.39 177.57 2k5n s ILE 40 N -1.70 3.84 0.37 -0.08 1.01 -1.14 -4.87 121.20 118.63 2k5n s ILE 40 Ca 0.35 0.85 0.01 0.00 0.00 0.00 0.00 60.65 61.86 2k5n s ILE 40 Cb 0.20 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.56 2k5n s ILE 40 CO 0.30 -0.71 0.07 1.17 0.00 0.00 0.00 174.94 175.77 2k5n n LYS 41 N 8.13 1.08 -3.24 2.79 4.81 -1.26 -5.10 118.16 125.38 2k5n n LYS 41 Ca 0.17 -2.58 -0.34 0.00 -0.87 0.00 0.00 58.31 54.70 2k5n n LYS 41 Cb 0.48 0.60 -0.06 0.00 0.02 0.00 0.00 35.03 36.07 2k5n n LYS 41 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2k5n s LYS 42 N -3.37 4.01 0.00 1.64 3.01 -1.26 -3.87 119.74 119.90 2k5n s LYS 42 Ca 0.05 0.59 0.00 0.00 -1.01 0.00 0.00 55.97 55.60 2k5n s LYS 42 Cb -0.00 -2.68 0.00 0.00 -1.01 0.00 0.00 37.83 34.14 2k5n s LYS 42 CO 0.03 0.31 0.00 -3.47 0.51 0.00 0.00 175.35 172.73 2k5n n ASP 43 N 0.16 -4.79 -4.85 2.83 2.03 -1.23 -4.96 116.55 105.74 2k5n n ASP 43 Ca -0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 2k5n n ASP 43 Cb 0.52 -2.55 -0.06 0.00 -0.72 0.00 0.00 41.12 38.31 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 -1.34 3.57 0.12 -1.67 0.00 -1.25 -4.88 121.76 116.32 2k5n s ALA 44 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.80 2k5n s ALA 44 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.56 2k5n s ALA 44 CO 0.00 0.46 0.29 0.00 0.00 0.00 0.00 175.76 176.51 2k5n s ALA 45 N -1.53 3.92 0.22 0.00 0.00 -1.26 -0.59 121.76 122.53 2k5n s ALA 45 Ca 0.39 -0.82 0.04 0.00 0.00 0.00 0.00 51.96 51.58 2k5n s ALA 45 Cb -0.14 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 2k5n s ALA 45 CO 0.19 0.66 -0.04 0.14 0.00 0.00 0.00 175.76 176.72 2k5n s VAL 46 N -1.66 1.21 -0.04 0.00 -7.23 0.10 -1.20 120.40 111.58 2k5n s VAL 46 Ca 0.37 -2.07 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 2k5n s VAL 46 Cb -0.12 -2.26 -0.00 0.00 0.56 0.00 0.00 36.38 34.56 2k5n s VAL 46 CO 0.28 -0.41 -0.16 0.42 -0.31 0.00 0.00 175.10 174.92 2k5n s THR 47 N -3.30 1.31 0.33 5.32 -4.23 0.28 -2.20 115.64 113.15 2k5n s THR 47 Ca 0.26 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.96 2k5n s THR 47 Cb 0.04 -1.14 0.03 0.00 1.34 0.00 0.00 72.50 72.78 2k5n s THR 47 CO 0.08 0.38 0.72 0.72 -0.54 0.00 0.00 174.62 175.98 2k5n s PHE 48 N 0.11 0.09 -0.01 3.99 -0.12 -0.85 -0.17 117.98 121.03 2k5n s PHE 48 Ca -0.05 -0.63 -0.10 0.00 -0.05 0.00 0.00 56.93 56.10 2k5n s PHE 48 Cb -0.11 0.68 -0.05 0.00 -0.63 0.00 0.00 43.02 42.90 2k5n s PHE 48 CO 0.02 -1.37 0.32 -1.21 -0.05 0.00 0.00 175.22 172.93 2k5n s GLU 49 N -3.11 3.71 0.10 1.99 0.41 -0.18 -1.78 118.70 119.84 2k5n s GLU 49 Ca 0.15 0.14 -0.22 0.00 -0.41 0.00 0.00 54.97 54.63 2k5n s GLU 49 Cb -0.05 -3.14 -0.07 0.00 -1.78 0.00 0.00 34.13 29.09 2k5n s GLU 49 CO 0.10 0.68 0.67 -1.25 -0.49 0.00 0.00 175.26 174.97 2k5n s PRO 50 N -1.38 4.38 0.25 0.39 0.04 -1.26 -2.49 135.00 134.94 2k5n s PRO 50 Ca 0.24 0.93 -0.21 0.00 0.04 0.00 0.00 61.00 62.01 2k5n s PRO 50 Cb -0.14 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.15 2k5n s PRO 50 CO 0.13 0.55 0.68 -0.08 0.04 0.00 0.00 177.00 178.31 2k5n s THR 51 N -0.91 0.00 -0.04 1.26 -1.32 -0.83 -4.96 115.64 108.83 2k5n s THR 51 Ca 0.33 -0.81 0.02 0.00 -1.21 0.00 0.00 61.69 60.01 2k5n s THR 51 Cb -0.21 -1.79 0.01 0.00 -1.51 0.00 0.00 72.50 69.00 2k5n s THR 51 CO 0.22 -0.01 -0.07 0.42 -2.21 0.00 0.00 174.62 172.97 2k5n s THR 52 N -3.89 0.68 -0.36 5.08 -4.23 -1.26 -1.76 115.64 109.90 2k5n s THR 52 Ca 0.09 -0.24 0.08 0.00 -1.18 0.00 0.00 61.69 60.44 2k5n s THR 52 Cb -0.05 -0.66 0.66 0.00 1.34 0.00 0.00 72.50 73.79 2k5n s THR 52 CO 0.03 0.24 1.67 0.59 -0.54 0.00 0.00 174.62 176.61 2k5n n ASN 53 N 3.75 4.51 0.00 3.99 5.03 -0.87 -4.92 115.26 126.76 2k5n n ASN 53 Ca -0.23 -3.05 0.00 0.00 0.87 0.00 0.00 54.58 52.17 2k5n n ASN 53 Cb 0.52 -0.72 0.00 0.00 -1.02 0.00 0.00 39.78 38.56 2k5n n ASN 53 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 2k5n n ASN 54 N -0.06 0.00 0.09 6.41 2.85 -1.26 -4.42 115.26 118.86 2k5n n ASN 54 Ca 0.35 0.00 -0.01 0.00 -0.11 0.00 0.00 54.58 54.81 2k5n n ASN 54 Cb 1.26 0.00 0.25 0.00 1.24 0.00 0.00 39.78 42.53 2k5n n ASN 54 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 2k5n h LYS 55 N 0.00 0.26 0.00 1.20 6.56 -2.03 -3.48 116.57 119.08 2k5n h LYS 55 Ca 0.00 -0.11 0.21 0.00 -1.06 0.00 0.00 60.65 59.69 2k5n h LYS 55 Cb 0.00 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.61 2k5n h LYS 55 CO 0.00 0.58 0.57 0.41 -2.06 0.00 0.00 179.45 178.95 2k5n n GLY 56 N -0.33 0.42 3.74 3.86 0.00 -1.26 -5.14 105.19 106.48 2k5n n GLY 56 Ca -0.01 -0.99 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 4.59 0.23 0.99 1.43 -1.26 -2.04 118.68 122.61 2k5n s LEU 57 Ca 0.19 1.95 -0.12 0.00 -1.03 0.00 0.00 54.13 55.12 2k5n s LEU 57 Cb -0.01 -3.61 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 2k5n s LEU 57 CO 0.00 0.04 0.45 -0.94 0.23 0.00 0.00 176.35 176.12 2k5n s SER 58 N -0.74 -0.08 -0.00 2.29 1.04 -0.72 -0.37 113.70 115.12 2k5n s SER 58 Ca 0.44 -0.91 -0.05 0.00 0.48 0.00 0.00 55.95 55.91 2k5n s SER 58 Cb -0.26 0.56 -0.00 0.00 0.10 0.00 0.00 66.02 66.42 2k5n s SER 58 CO 0.32 -1.09 0.09 0.00 0.98 0.00 0.00 173.24 173.55 2k5n s ALA 59 N -4.01 -0.21 0.35 5.32 0.00 -1.26 -1.97 121.76 119.98 2k5n s ALA 59 Ca 0.22 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.04 2k5n s ALA 59 Cb 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 2k5n s ALA 59 CO 0.07 -0.17 0.13 1.52 0.00 0.00 0.00 175.76 177.31 2k5n s TYR 60 N -1.18 1.75 -1.61 0.00 1.13 -1.04 -4.76 117.35 111.64 2k5n s TYR 60 Ca -0.13 -1.25 -0.03 0.00 -1.41 0.00 0.00 57.07 54.25 2k5n s TYR 60 Cb -0.07 -1.07 0.01 0.00 -1.10 0.00 0.00 41.96 39.73 2k5n s TYR 60 CO 0.01 -0.32 0.30 0.00 -2.51 0.00 0.00 175.55 173.03 2k5n n ALA 61 N -0.75 -0.82 -2.17 9.51 0.00 -0.75 -1.01 120.51 124.53 2k5n n ALA 61 Ca -0.03 0.22 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2k5n n ALA 61 Cb 0.65 -2.96 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 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 -3.07 3.77 -0.20 0.00 1.01 -0.56 -4.50 120.40 116.86 2k5n s VAL 62 Ca 0.16 0.87 -0.01 0.00 0.00 0.00 0.00 61.98 63.00 2k5n s VAL 62 Cb -0.07 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2k5n s VAL 62 CO 0.20 -0.32 -0.13 -0.54 0.00 0.00 0.00 175.10 174.30 2k5n s LYS 63 N 4.58 3.16 0.53 2.72 1.02 0.76 -0.27 119.74 132.24 2k5n s LYS 63 Ca 0.69 -0.74 -0.19 0.00 0.02 0.00 0.00 55.97 55.75 2k5n s LYS 63 Cb -0.23 -2.76 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 2k5n s LYS 63 CO 0.28 -0.21 1.08 0.08 -0.92 0.00 0.00 175.35 175.66 2k5n s VAL 64 N 1.37 3.54 -0.83 3.17 1.01 -1.26 -0.56 120.40 126.85 2k5n s VAL 64 Ca 0.05 0.90 -0.09 0.00 0.00 0.00 0.00 61.98 62.85 2k5n s VAL 64 Cb -0.14 -3.36 0.21 0.00 0.00 0.00 0.00 36.38 33.10 2k5n s VAL 64 CO -0.09 -0.26 0.73 -0.69 0.00 0.00 0.00 175.10 174.79 2k5n s VAL 65 N -2.01 5.02 0.02 2.92 1.01 -0.34 -4.89 120.40 122.13 2k5n s VAL 65 Ca 0.68 -2.92 -0.28 0.00 0.00 0.00 0.00 61.98 59.47 2k5n s VAL 65 Cb -0.19 -4.12 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 2k5n s VAL 65 CO 0.27 -1.02 0.88 -2.16 0.00 0.00 0.00 175.10 173.06 2k5n s PRO 66 N -0.30 4.55 0.00 2.72 0.05 -1.26 -4.58 135.00 136.18 2k5n s PRO 66 Ca 0.21 1.25 0.00 0.00 0.05 0.00 0.00 61.00 62.51 2k5n s PRO 66 Cb -0.12 -3.42 0.00 0.00 0.05 0.00 0.00 34.50 31.01 2k5n s PRO 66 CO -0.08 0.09 0.75 1.28 0.05 0.00 0.00 177.00 179.09 2k5n n LEU 67 N 3.43 0.06 -3.75 -3.56 4.77 -1.26 -4.84 117.00 111.85 2k5n n LEU 67 Ca 0.02 0.84 -0.16 0.00 -0.03 0.00 0.00 56.01 56.69 2k5n n LEU 67 Cb 0.51 -0.45 -0.16 0.00 -2.33 0.00 0.00 43.42 40.98 2k5n n LEU 67 CO 0.50 -0.45 -0.34 -0.70 -1.33 0.00 0.00 177.39 175.07 2k5n s GLU 68 N -2.40 -0.04 -0.42 3.23 -6.30 -1.26 -5.06 118.70 106.45 2k5n s GLU 68 Ca 0.00 0.24 0.07 0.00 -2.50 0.00 0.00 54.97 52.79 2k5n s GLU 68 Cb 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 34.13 34.09 2k5n s GLU 68 CO 0.00 -0.20 0.64 1.58 0.02 0.00 0.00 175.26 177.31 2k5n n HIS 69 N 4.40 -1.38 -1.68 5.30 -0.00 -1.26 -5.11 115.22 115.49 2k5n n HIS 69 Ca -0.23 -2.95 -0.46 0.00 0.46 0.00 0.00 57.72 54.54 2k5n n HIS 69 Cb 0.50 0.30 -0.04 0.00 -0.12 0.00 0.00 29.99 30.63 2k5n n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2k5n n HIS 70 N 1.50 2.37 -2.24 1.57 -0.00 -1.26 -4.88 115.22 112.28 2k5n n HIS 70 Ca 0.17 0.04 -0.43 0.00 -0.00 0.00 0.00 57.72 57.50 2k5n n HIS 70 Cb 0.56 -2.65 -0.02 0.00 -0.00 0.00 0.00 29.99 27.88 2k5n n HIS 70 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k5n s HIS 71 N 2.88 2.54 -1.10 1.57 3.76 -1.26 -4.93 115.29 118.74 2k5n s HIS 71 Ca 0.86 0.68 -0.18 0.00 -0.15 0.00 0.00 55.06 56.27 2k5n s HIS 71 Cb -0.64 -3.68 0.11 0.00 1.11 0.00 0.00 32.58 29.48 2k5n s HIS 71 CO 0.44 -2.61 1.41 -1.01 -0.85 0.00 0.00 174.74 172.12 2k5n s HIS 72 N 3.46 3.03 -0.59 1.40 3.76 -1.26 -4.76 115.29 120.32 2k5n s HIS 72 Ca 0.63 -1.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.01 2k5n s HIS 72 Cb -0.28 -4.48 0.49 0.00 1.11 0.00 0.00 32.58 29.42 2k5n s HIS 72 CO 0.22 -1.63 2.00 0.72 -0.85 0.00 0.00 174.74 175.20 2k5n n HIS 73 N 7.20 3.08 -1.97 1.40 8.25 -1.26 -5.35 115.22 126.57 2k5n n HIS 73 Ca 0.35 -2.65 0.00 0.00 -0.26 0.00 0.00 57.72 55.16 2k5n n HIS 73 Cb 0.47 -1.29 0.00 0.00 1.12 0.00 0.00 29.99 30.29 2k5n n HIS 73 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56