#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 -2.22 -2.50 3.04 0.00 -1.26 -5.07 120.51 112.49 2k5n n ALA 2 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.58 2k5n n ALA 2 Cb 0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 19.45 18.15 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 -0.99 2.14 -0.00 0.00 -2.45 0.91 -4.90 119.30 114.02 2k5n s MET 3 Ca 0.00 -1.83 0.05 0.00 -1.25 0.00 0.00 55.69 52.66 2k5n s MET 3 Cb 0.00 -1.92 -0.01 0.00 1.25 0.00 0.00 34.83 34.14 2k5n s MET 3 CO 0.00 -0.00 -0.16 0.54 1.05 0.00 0.00 175.02 176.45 2k5n s ASN 4 N -3.81 1.87 0.32 1.11 4.22 -1.26 -0.57 114.94 116.83 2k5n s ASN 4 Ca 0.38 -0.33 0.00 0.00 -2.14 0.00 0.00 52.86 50.77 2k5n s ASN 4 Cb 0.03 -0.19 -0.01 0.00 1.28 0.00 0.00 41.25 42.36 2k5n s ASN 4 CO 0.21 0.17 0.39 -0.83 -2.04 0.00 0.00 177.10 174.99 2k5n s GLY 5 N -0.54 1.73 -0.05 0.45 0.00 0.53 -2.64 107.32 106.80 2k5n s GLY 5 Ca 0.06 -1.69 0.05 0.00 0.00 0.00 0.00 44.72 43.14 2k5n s GLY 5 CO -0.00 -1.17 -0.21 -1.59 0.00 0.00 0.00 173.10 170.13 2k5n s THR 6 N -3.30 1.75 -0.09 0.90 2.01 0.75 -0.64 115.64 117.01 2k5n s THR 6 Ca 0.34 -0.90 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 2k5n s THR 6 Cb 0.01 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 2k5n s THR 6 CO 0.22 0.49 1.28 -0.63 -0.69 0.00 0.00 174.62 175.29 2k5n s ILE 7 N -0.06 4.16 0.00 1.82 1.01 -0.14 -2.45 121.20 125.54 2k5n s ILE 7 Ca -0.04 1.46 -0.05 0.00 0.00 0.00 0.00 60.65 62.02 2k5n s ILE 7 Cb -0.13 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2k5n s ILE 7 CO 0.03 -0.06 -0.10 0.35 0.00 0.00 0.00 174.94 175.16 2k5n n THR 8 N 4.99 1.15 -4.82 2.92 -2.24 -1.15 -0.89 114.28 114.25 2k5n n THR 8 Ca 0.13 0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.83 2k5n n THR 8 Cb 0.45 -1.77 -0.15 0.00 -2.10 0.00 0.00 70.33 66.76 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 2.92 -0.19 4.28 2.01 -0.55 -4.89 115.64 116.98 2k5n s THR 9 Ca -0.09 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.10 2k5n s THR 9 Cb 0.02 -2.21 0.06 0.00 0.01 0.00 0.00 72.50 70.37 2k5n s THR 9 CO 0.13 0.53 0.46 0.86 -0.69 0.00 0.00 174.62 175.90 2k5n s TRP 10 N 0.37 -0.68 -0.37 4.92 -0.11 -1.26 0.59 118.94 122.40 2k5n s TRP 10 Ca -0.12 1.42 0.02 0.00 1.22 0.00 0.00 56.10 58.65 2k5n s TRP 10 Cb -0.16 0.32 0.11 0.00 -1.50 0.00 0.00 33.47 32.24 2k5n s TRP 10 CO 0.06 -0.37 0.11 -0.06 -4.62 0.00 0.00 176.95 172.07 2k5n s PHE 11 N 1.42 2.91 0.20 5.86 0.08 -0.37 -5.00 117.98 123.09 2k5n s PHE 11 Ca -0.10 -2.61 -0.11 0.00 0.12 0.00 0.00 56.93 54.23 2k5n s PHE 11 Cb -0.08 -2.46 0.13 0.00 -0.57 0.00 0.00 43.02 40.05 2k5n s PHE 11 CO -0.14 -0.88 1.84 -0.22 -0.10 0.00 0.00 175.22 175.72 2k5n h LYS 12 N 7.49 0.97 -0.24 0.44 3.64 -1.95 0.23 116.57 127.15 2k5n h LYS 12 Ca -0.07 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 2k5n h LYS 12 Cb 0.99 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2k5n h LYS 12 CO 0.53 0.69 -0.26 0.22 -2.27 0.00 0.00 179.45 178.35 2k5n h ASP 13 N 0.97 0.64 -0.56 4.20 1.82 -1.94 -3.15 116.42 118.41 2k5n h ASP 13 Ca 0.26 -0.48 -0.11 0.00 -0.39 0.00 0.00 57.03 56.30 2k5n h ASP 13 Cb -0.03 -0.18 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 2k5n h ASP 13 CO -0.05 1.00 -0.07 0.11 -1.61 0.00 0.00 179.24 178.62 2k5n h LYS 14 N 0.30 1.04 0.00 0.28 1.79 -1.92 -3.47 116.57 114.59 2k5n h LYS 14 Ca 0.03 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 58.14 2k5n h LYS 14 Cb 0.83 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2k5n h LYS 14 CO 0.06 1.06 0.00 0.41 -1.08 0.00 0.00 179.45 179.90 2k5n n GLY 15 N -0.33 0.32 3.93 3.86 0.00 0.78 -5.02 105.19 108.73 2k5n n GLY 15 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.01 3.48 0.03 1.61 0.08 -1.17 -0.81 117.98 119.18 2k5n s PHE 16 Ca 0.00 0.37 -0.27 0.00 0.12 0.00 0.00 56.93 57.15 2k5n s PHE 16 Cb 0.00 -1.89 0.09 0.00 -0.57 0.00 0.00 43.02 40.65 2k5n s PHE 16 CO 0.00 0.26 0.76 0.20 -0.10 0.00 0.00 175.22 176.34 2k5n s GLY 17 N -3.52 -0.52 -0.05 4.36 0.00 -0.64 -1.24 107.32 105.72 2k5n s GLY 17 Ca 0.40 0.98 0.00 0.00 0.00 0.00 0.00 44.72 46.09 2k5n s GLY 17 CO 0.31 0.45 -0.01 -1.36 0.00 0.00 0.00 173.10 172.49 2k5n s PHE 18 N -2.83 0.53 -0.03 1.90 0.08 0.20 -0.37 117.98 117.46 2k5n s PHE 18 Ca 0.00 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.97 2k5n s PHE 18 Cb -0.01 -0.60 0.01 0.00 -0.57 0.00 0.00 43.02 41.86 2k5n s PHE 18 CO -0.06 -0.20 -0.06 0.42 -0.10 0.00 0.00 175.22 175.21 2k5n s ILE 19 N 1.30 0.58 -0.19 0.64 1.01 -1.05 -1.48 121.20 122.00 2k5n s ILE 19 Ca -0.06 -0.20 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2k5n s ILE 19 Cb -0.13 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.73 2k5n s ILE 19 CO -0.02 0.21 0.08 -0.75 0.00 0.00 0.00 174.94 174.46 2k5n s LYS 20 N 0.54 4.00 0.79 2.79 2.20 -1.03 -1.00 119.74 128.04 2k5n s LYS 20 Ca -0.07 -0.32 -0.04 0.00 -0.36 0.00 0.00 55.97 55.17 2k5n s LYS 20 Cb -0.11 -3.28 0.16 0.00 -1.51 0.00 0.00 37.83 33.09 2k5n s LYS 20 CO 0.00 0.24 1.09 0.16 -0.36 0.00 0.00 175.35 176.48 2k5n s ASP 21 N 0.49 3.94 0.00 1.43 -4.77 -1.24 -0.18 116.67 116.34 2k5n s ASP 21 Ca 0.04 -0.33 0.28 0.00 -3.30 0.00 0.00 52.55 49.24 2k5n s ASP 21 Cb -0.12 0.10 0.99 0.00 -1.09 0.00 0.00 42.92 42.79 2k5n s ASP 21 CO 0.00 -2.15 1.74 -0.62 0.70 0.00 0.00 175.17 174.84 2k5n n GLU 22 N -3.08 0.19 -0.12 2.11 1.02 -1.08 -4.20 120.64 115.48 2k5n n GLU 22 Ca 0.16 -0.07 -0.21 0.00 -0.02 0.00 0.00 57.16 57.03 2k5n n GLU 22 Cb 0.60 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.42 2k5n n GLU 22 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2k5n n ASN 23 N -1.35 2.02 0.00 1.62 2.85 -1.26 -5.03 115.26 114.11 2k5n n ASN 23 Ca 0.09 0.04 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2k5n n ASN 23 Cb 0.32 -0.51 0.00 0.00 1.24 0.00 0.00 39.78 40.83 2k5n n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k5n n GLY 24 N 2.01 1.21 3.19 8.20 0.00 -1.26 -5.18 105.19 113.35 2k5n n GLY 24 Ca -0.45 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.39 -4.68 1.61 2.03 -1.26 -4.86 116.55 108.01 2k5n n ASP 25 Ca 0.00 -2.73 -0.42 0.00 0.52 0.00 0.00 54.79 52.16 2k5n n ASP 25 Cb 0.00 2.54 -0.03 0.00 -0.72 0.00 0.00 41.12 42.91 2k5n n ASP 25 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2k5n s ASN 26 N -3.01 6.83 0.12 1.67 0.01 -1.26 -3.72 114.94 115.58 2k5n s ASN 26 Ca 0.25 2.04 0.05 0.00 -0.71 0.00 0.00 52.86 54.50 2k5n s ASN 26 Cb -0.01 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.06 2k5n s ASN 26 CO 0.18 -0.77 0.03 -0.13 -1.51 0.00 0.00 177.10 174.90 2k5n s ARG 27 N 3.01 2.60 -0.15 -0.60 0.52 -0.17 -4.81 118.95 119.35 2k5n s ARG 27 Ca 0.64 -0.88 -0.29 0.00 -0.52 0.00 0.00 55.73 54.67 2k5n s ARG 27 Cb -0.30 -2.54 -0.01 0.00 0.52 0.00 0.00 34.95 32.63 2k5n s ARG 27 CO 0.25 0.52 1.12 -0.47 0.02 0.00 0.00 175.30 176.73 2k5n s TYR 28 N -1.47 3.22 0.16 -0.53 5.04 0.18 -2.53 117.35 121.43 2k5n s TYR 28 Ca 0.27 1.33 0.08 0.00 -2.44 0.00 0.00 57.07 56.31 2k5n s TYR 28 Cb -0.11 -3.34 -0.04 0.00 0.35 0.00 0.00 41.96 38.82 2k5n s TYR 28 CO 0.19 -0.90 -0.06 -0.06 -1.34 0.00 0.00 175.55 173.39 2k5n s PHE 29 N 2.81 2.75 -0.04 4.97 0.40 0.51 -3.11 117.98 126.26 2k5n s PHE 29 Ca 0.50 -0.17 0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2k5n s PHE 29 Cb -0.19 -1.36 0.02 0.00 0.51 0.00 0.00 43.02 41.99 2k5n s PHE 29 CO 0.14 0.49 -0.05 -1.58 0.70 0.00 0.00 175.22 174.92 2k5n s HIS 30 N -1.58 0.79 0.58 0.36 2.46 -1.26 -1.62 115.29 115.02 2k5n s HIS 30 Ca 0.25 -0.22 0.30 0.00 0.47 0.00 0.00 55.06 55.86 2k5n s HIS 30 Cb -0.10 -0.66 1.41 0.00 -0.13 0.00 0.00 32.58 33.10 2k5n s HIS 30 CO 0.16 -0.17 1.79 -0.24 -2.47 0.00 0.00 174.74 173.81 2k5n h VAL 31 N 6.00 0.33 0.00 0.89 3.04 -1.31 0.70 116.25 125.90 2k5n h VAL 31 Ca -0.37 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.31 2k5n h VAL 31 Cb 1.16 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 30.92 2k5n h VAL 31 CO 0.48 0.00 -0.04 -0.29 -1.01 0.00 0.00 177.57 176.71 2k5n h ILE 32 N 0.00 0.06 -0.64 3.17 2.10 -1.96 -3.06 117.51 117.18 2k5n h ILE 32 Ca 0.33 -1.04 0.00 0.00 1.08 0.00 0.00 64.86 65.22 2k5n h ILE 32 Cb 1.66 1.99 0.00 0.00 -1.09 0.00 0.00 36.82 39.38 2k5n h ILE 32 CO -0.00 0.03 0.00 0.29 -1.08 0.00 0.00 178.15 177.39 2k5n n LYS 33 N -3.11 2.90 -3.88 2.19 4.76 0.24 -4.90 118.16 116.36 2k5n n LYS 33 Ca 0.04 -2.57 -0.35 0.00 -2.87 0.00 0.00 58.31 52.55 2k5n n LYS 33 Cb 0.53 -1.55 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 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 -1.14 5.15 0.25 -0.18 1.01 -1.16 -1.66 120.40 122.67 2k5n s VAL 34 Ca 0.44 0.09 0.03 0.00 0.00 0.00 0.00 61.98 62.54 2k5n s VAL 34 Cb 0.24 -3.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 2k5n s VAL 34 CO 0.28 0.48 1.61 0.00 0.00 0.00 0.00 175.10 177.47 2k5n h ALA 35 N 6.41 0.93 -2.02 5.51 0.00 -0.63 -3.37 119.26 126.09 2k5n h ALA 35 Ca -0.42 -0.46 -0.54 0.00 0.00 0.00 0.00 54.91 53.49 2k5n h ALA 35 Cb 1.17 -0.09 -0.36 0.00 0.00 0.00 0.00 17.79 18.50 2k5n h ALA 35 CO 0.71 0.65 -1.00 0.27 0.00 0.00 0.00 179.25 179.88 2k5n n ASN 36 N -3.98 -0.40 0.17 0.00 6.94 -1.25 -4.97 115.26 111.77 2k5n n ASN 36 Ca -0.02 -2.59 0.13 0.00 -0.02 0.00 0.00 54.58 52.08 2k5n n ASN 36 Cb 0.54 -0.39 0.44 0.00 -2.36 0.00 0.00 39.78 38.01 2k5n n ASN 36 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2k5n h PRO 37 N 4.73 0.00 0.00 -0.53 0.13 -1.87 -2.96 132.00 131.50 2k5n h PRO 37 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.23 2k5n h PRO 37 Cb 0.91 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.03 2k5n h PRO 37 CO 0.40 0.00 -0.20 0.22 -0.23 0.00 0.00 178.00 178.19 2k5n h ASP 38 N 0.00 0.00 -0.36 1.44 3.58 -1.95 -2.95 116.42 116.17 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 0.64 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.69 2k5n h ASP 38 CO 0.00 0.20 0.00 0.18 -2.88 0.00 0.00 179.24 176.74 2k5n n LEU 39 N -3.24 3.15 -4.66 2.28 4.77 -1.12 -4.91 117.00 113.28 2k5n n LEU 39 Ca 0.02 -1.36 -0.43 0.00 -0.03 0.00 0.00 56.01 54.21 2k5n n LEU 39 Cb 0.50 -0.23 -0.02 0.00 -2.33 0.00 0.00 43.42 41.34 2k5n n LEU 39 CO 0.34 0.68 1.14 -0.63 -1.33 0.00 0.00 177.39 177.60 2k5n s ILE 40 N -1.54 4.08 0.17 -0.08 1.01 -1.12 -4.79 121.20 118.93 2k5n s ILE 40 Ca 0.38 1.32 0.01 0.00 0.00 0.00 0.00 60.65 62.36 2k5n s ILE 40 Cb 0.22 -3.85 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2k5n s ILE 40 CO 0.31 -0.10 0.02 -0.54 0.00 0.00 0.00 174.94 174.62 2k5n s LYS 41 N 3.46 1.09 0.38 2.79 1.02 -1.26 -5.10 119.74 122.13 2k5n s LYS 41 Ca 0.60 -1.53 -0.26 0.00 0.02 0.00 0.00 55.97 54.79 2k5n s LYS 41 Cb -0.25 -0.17 -0.09 0.00 -0.52 0.00 0.00 37.83 36.79 2k5n s LYS 41 CO 0.19 -0.16 1.22 0.21 -0.92 0.00 0.00 175.35 175.89 2k5n s LYS 42 N -3.95 4.15 0.00 1.68 2.36 -1.26 -2.72 119.74 120.00 2k5n s LYS 42 Ca 0.25 1.99 0.00 0.00 -2.55 0.00 0.00 55.97 55.65 2k5n s LYS 42 Cb 0.06 -2.82 0.00 0.00 -1.05 0.00 0.00 37.83 34.02 2k5n s LYS 42 CO 0.04 -0.29 0.00 -3.47 1.55 0.00 0.00 175.35 173.19 2k5n n ASP 43 N 0.34 -1.69 -4.81 1.43 2.03 -0.07 -4.97 116.55 108.82 2k5n n ASP 43 Ca 0.03 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.99 2k5n n ASP 43 Cb 0.45 -0.82 -0.07 0.00 -0.72 0.00 0.00 41.12 39.96 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 -2.63 3.18 0.04 -1.67 0.00 -1.10 -4.76 121.76 114.82 2k5n s ALA 44 Ca 0.00 0.37 -0.16 0.00 0.00 0.00 0.00 51.96 52.17 2k5n s ALA 44 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 23.12 19.98 2k5n s ALA 44 CO 0.00 0.19 0.48 0.00 0.00 0.00 0.00 175.76 176.43 2k5n s ALA 45 N -1.87 3.65 0.07 0.00 0.00 -1.26 -0.96 121.76 121.39 2k5n s ALA 45 Ca 0.54 -0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.42 2k5n s ALA 45 Cb -0.14 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.47 2k5n s ALA 45 CO 0.18 0.45 -0.12 0.14 0.00 0.00 0.00 175.76 176.42 2k5n s VAL 46 N -1.14 0.96 -0.06 0.00 -7.23 0.18 -0.32 120.40 112.78 2k5n s VAL 46 Ca 0.27 -1.33 0.05 0.00 -1.81 0.00 0.00 61.98 59.16 2k5n s VAL 46 Cb -0.17 -1.03 -0.01 0.00 0.56 0.00 0.00 36.38 35.72 2k5n s VAL 46 CO 0.16 -0.33 -0.23 0.42 -0.31 0.00 0.00 175.10 174.81 2k5n s THR 47 N -1.54 2.24 0.30 5.32 -4.23 0.31 -0.35 115.64 117.68 2k5n s THR 47 Ca -0.02 -1.00 -0.13 0.00 -1.18 0.00 0.00 61.69 59.36 2k5n s THR 47 Cb -0.09 -1.83 0.01 0.00 1.34 0.00 0.00 72.50 71.94 2k5n s THR 47 CO 0.01 0.57 0.58 0.72 -0.54 0.00 0.00 174.62 175.96 2k5n s PHE 48 N -0.17 0.35 -0.06 3.99 -0.12 0.26 -0.41 117.98 121.82 2k5n s PHE 48 Ca -0.03 -0.76 -0.05 0.00 -0.05 0.00 0.00 56.93 56.04 2k5n s PHE 48 Cb -0.14 0.35 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2k5n s PHE 48 CO 0.04 -1.17 0.17 -1.21 -0.05 0.00 0.00 175.22 172.99 2k5n s GLU 49 N -3.51 3.45 0.27 1.99 0.41 0.09 -0.06 118.70 121.34 2k5n s GLU 49 Ca 0.21 -0.21 -0.24 0.00 -0.41 0.00 0.00 54.97 54.32 2k5n s GLU 49 Cb -0.02 -3.15 -0.09 0.00 -1.78 0.00 0.00 34.13 29.09 2k5n s GLU 49 CO 0.11 0.73 0.85 -1.25 -0.49 0.00 0.00 175.26 175.21 2k5n s PRO 50 N -1.46 4.47 0.24 0.39 0.04 -1.26 -1.07 135.00 136.36 2k5n s PRO 50 Ca 0.21 1.16 -0.21 0.00 0.04 0.00 0.00 61.00 62.20 2k5n s PRO 50 Cb -0.12 -2.87 0.06 0.00 0.04 0.00 0.00 34.50 31.61 2k5n s PRO 50 CO 0.11 0.35 0.93 -0.08 0.04 0.00 0.00 177.00 178.35 2k5n s THR 51 N -1.54 0.00 0.01 1.26 -1.32 -0.30 -4.87 115.64 108.88 2k5n s THR 51 Ca 0.46 -0.74 0.05 0.00 -1.21 0.00 0.00 61.69 60.25 2k5n s THR 51 Cb -0.18 -2.65 -0.03 0.00 -1.51 0.00 0.00 72.50 68.13 2k5n s THR 51 CO 0.23 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 172.94 2k5n s THR 52 N -2.55 3.24 -0.79 5.08 -4.23 -1.26 -0.91 115.64 114.22 2k5n s THR 52 Ca 0.17 -0.91 0.17 0.00 -1.18 0.00 0.00 61.69 59.94 2k5n s THR 52 Cb -0.03 -2.37 0.75 0.00 1.34 0.00 0.00 72.50 72.19 2k5n s THR 52 CO 0.06 0.41 1.66 -3.20 -0.54 0.00 0.00 174.62 173.02 2k5n n ASN 53 N 1.69 5.07 0.00 3.99 4.05 0.15 -4.76 115.26 125.45 2k5n n ASN 53 Ca -0.16 -2.63 0.00 0.00 0.45 0.00 0.00 54.58 52.24 2k5n n ASN 53 Cb 0.52 -0.61 0.00 0.00 1.23 0.00 0.00 39.78 40.92 2k5n n ASN 53 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2k5n n ASN 54 N 0.89 0.00 -1.48 1.20 2.85 -1.26 -4.28 115.26 113.18 2k5n n ASN 54 Ca 0.26 0.00 -0.05 0.00 -0.11 0.00 0.00 54.58 54.68 2k5n n ASN 54 Cb 1.00 0.00 0.24 0.00 1.24 0.00 0.00 39.78 42.25 2k5n n ASN 54 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2k5n n LYS 55 N 0.00 2.63 -3.43 1.20 5.02 -1.26 -5.03 118.16 117.29 2k5n n LYS 55 Ca 0.00 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.23 2k5n n LYS 55 Cb 0.00 -1.98 0.00 0.00 -0.02 0.00 0.00 35.03 33.03 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k5n n GLY 56 N -0.75 -1.21 3.88 0.72 0.00 -1.26 -5.13 105.19 101.44 2k5n n GLY 56 Ca 0.37 -1.34 -0.34 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 4.35 0.23 0.99 1.43 -1.26 0.32 118.68 124.74 2k5n s LEU 57 Ca 0.00 0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 53.63 2k5n s LEU 57 Cb 0.00 -2.87 -0.02 0.00 0.03 0.00 0.00 46.19 43.34 2k5n s LEU 57 CO 0.00 0.20 0.37 -0.94 0.23 0.00 0.00 176.35 176.20 2k5n s SER 58 N -1.86 -0.01 0.06 2.29 1.04 -0.09 0.52 113.70 115.65 2k5n s SER 58 Ca 0.31 -1.08 0.04 0.00 0.48 0.00 0.00 55.95 55.71 2k5n s SER 58 Cb -0.13 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 2k5n s SER 58 CO 0.18 -1.04 -0.13 0.00 0.98 0.00 0.00 173.24 173.23 2k5n s ALA 59 N -4.06 1.05 0.45 5.32 0.00 -1.18 -1.14 121.76 122.18 2k5n s ALA 59 Ca 0.28 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2k5n s ALA 59 Cb 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2k5n s ALA 59 CO 0.10 0.13 0.18 0.71 0.00 0.00 0.00 175.76 176.88 2k5n s TYR 60 N -1.27 2.36 -1.57 0.00 2.02 -0.23 -4.78 117.35 113.88 2k5n s TYR 60 Ca -0.03 -0.68 -0.14 0.00 -0.37 0.00 0.00 57.07 55.85 2k5n s TYR 60 Cb -0.10 -1.90 0.10 0.00 -0.40 0.00 0.00 41.96 39.66 2k5n s TYR 60 CO 0.02 0.10 0.88 0.00 -1.57 0.00 0.00 175.55 174.98 2k5n n ALA 61 N -1.31 -1.36 -1.98 3.71 0.00 -1.16 -0.73 120.51 117.68 2k5n n ALA 61 Ca -0.04 0.08 -0.40 0.00 0.00 0.00 0.00 53.44 53.09 2k5n n ALA 61 Cb 0.65 -3.86 -0.03 0.00 0.00 0.00 0.00 19.45 16.21 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 -3.36 3.36 -0.27 0.00 1.01 -0.66 -4.36 120.40 116.12 2k5n s VAL 62 Ca 0.61 0.29 -0.07 0.00 0.00 0.00 0.00 61.98 62.81 2k5n s VAL 62 Cb -0.32 -3.74 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2k5n s VAL 62 CO 0.86 -0.63 0.08 -0.75 0.00 0.00 0.00 175.10 174.66 2k5n s LYS 63 N 6.66 3.36 0.11 2.72 2.20 0.45 0.11 119.74 135.36 2k5n s LYS 63 Ca 0.75 -0.67 -0.21 0.00 -0.36 0.00 0.00 55.97 55.47 2k5n s LYS 63 Cb -0.17 -3.36 -0.07 0.00 -1.51 0.00 0.00 37.83 32.72 2k5n s LYS 63 CO 0.26 -0.32 0.63 0.08 -0.36 0.00 0.00 175.35 175.64 2k5n s VAL 64 N 1.56 4.62 -0.79 4.02 1.01 -1.26 -0.53 120.40 129.03 2k5n s VAL 64 Ca 0.05 1.36 -0.09 0.00 0.00 0.00 0.00 61.98 63.30 2k5n s VAL 64 Cb -0.16 -3.97 0.20 0.00 0.00 0.00 0.00 36.38 32.46 2k5n s VAL 64 CO 0.03 0.53 0.69 -0.69 0.00 0.00 0.00 175.10 175.66 2k5n s VAL 65 N -1.14 4.89 0.87 2.92 1.01 0.56 -4.97 120.40 124.54 2k5n s VAL 65 Ca 0.31 -2.85 -0.11 0.00 0.00 0.00 0.00 61.98 59.33 2k5n s VAL 65 Cb -0.20 -4.05 0.12 0.00 0.00 0.00 0.00 36.38 32.24 2k5n s VAL 65 CO 0.21 -1.00 1.10 -2.16 0.00 0.00 0.00 175.10 173.26 2k5n s PRO 66 N -0.18 1.43 0.45 2.72 0.04 -1.26 -4.19 135.00 134.01 2k5n s PRO 66 Ca 0.20 1.13 0.23 0.00 0.04 0.00 0.00 61.00 62.60 2k5n s PRO 66 Cb -0.13 -1.81 1.07 0.00 0.04 0.00 0.00 34.50 33.68 2k5n s PRO 66 CO -0.07 -2.21 1.91 1.37 0.04 0.00 0.00 177.00 178.04 2k5n h LEU 67 N -1.54 0.00 -7.00 -3.56 -0.00 -1.98 -3.45 115.31 97.79 2k5n h LEU 67 Ca -0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.40 2k5n h LEU 67 Cb 1.26 0.00 -0.19 0.00 -0.00 0.00 0.00 40.66 41.73 2k5n h LEU 67 CO 0.50 0.23 0.29 -0.70 -0.00 0.00 0.00 178.44 178.75 2k5n s GLU 68 N -3.96 0.96 -1.22 0.17 2.12 -1.26 -5.08 118.70 110.43 2k5n s GLU 68 Ca -0.01 0.15 -0.16 0.00 0.36 0.00 0.00 54.97 55.31 2k5n s GLU 68 Cb 0.12 0.45 0.13 0.00 0.26 0.00 0.00 34.13 35.09 2k5n s GLU 68 CO 0.64 -0.31 1.53 -1.58 -0.54 0.00 0.00 175.26 175.00 2k5n s HIS 69 N -1.45 3.20 0.15 5.30 5.65 -1.26 -4.99 115.29 121.89 2k5n s HIS 69 Ca -0.07 -1.89 -0.30 0.00 0.25 0.00 0.00 55.06 53.05 2k5n s HIS 69 Cb -0.00 -4.49 -0.07 0.00 -1.18 0.00 0.00 32.58 26.84 2k5n s HIS 69 CO 0.05 -1.57 0.98 -1.58 -0.65 0.00 0.00 174.74 171.98 2k5n s HIS 70 N 2.69 3.81 0.11 3.88 2.46 -1.26 -5.02 115.29 121.95 2k5n s HIS 70 Ca 0.47 1.79 -0.30 0.00 0.47 0.00 0.00 55.06 57.48 2k5n s HIS 70 Cb -0.00 -3.08 -0.06 0.00 -0.13 0.00 0.00 32.58 29.31 2k5n s HIS 70 CO 0.02 0.11 1.02 -1.01 -2.47 0.00 0.00 174.74 172.40 2k5n s HIS 71 N -0.30 3.72 -0.31 3.88 3.76 -1.26 -5.02 115.29 119.74 2k5n s HIS 71 Ca 0.46 1.70 -0.02 0.00 -0.15 0.00 0.00 55.06 57.05 2k5n s HIS 71 Cb -0.25 -3.14 0.11 0.00 1.11 0.00 0.00 32.58 30.40 2k5n s HIS 71 CO 0.31 -0.13 0.14 -1.58 -0.85 0.00 0.00 174.74 172.63 2k5n s HIS 72 N 0.12 0.90 -0.84 1.40 2.46 -1.26 -4.93 115.29 113.14 2k5n s HIS 72 Ca 0.49 -1.35 0.08 0.00 0.47 0.00 0.00 55.06 54.76 2k5n s HIS 72 Cb -0.25 -1.21 0.01 0.00 -0.13 0.00 0.00 32.58 31.00 2k5n s HIS 72 CO 0.31 -0.84 0.62 -2.39 -2.47 0.00 0.00 174.74 169.96 2k5n n HIS 73 N 4.84 0.00 -0.96 3.88 1.44 -1.26 -5.28 115.22 117.89 2k5n n HIS 73 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 2k5n n HIS 73 Cb 0.41 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.52 2k5n n HIS 73 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25