#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 3.41 0.31 3.04 0.00 -1.26 -4.21 121.76 123.05 2k5n s ALA 2 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.15 2k5n s ALA 2 Cb 0.00 -3.15 -0.03 0.00 0.00 0.00 0.00 23.12 19.94 2k5n s ALA 2 CO 0.00 -0.41 0.23 1.41 0.00 0.00 0.00 175.76 176.99 2k5n s MET 3 N 1.55 1.66 -0.05 0.00 -2.45 -0.14 -4.90 119.30 114.96 2k5n s MET 3 Ca 0.40 -1.95 -0.01 0.00 -1.25 0.00 0.00 55.69 52.88 2k5n s MET 3 Cb -0.18 0.22 -0.03 0.00 1.25 0.00 0.00 34.83 36.09 2k5n s MET 3 CO 0.16 -0.58 0.02 0.54 1.05 0.00 0.00 175.02 176.21 2k5n s ASN 4 N -3.35 5.29 0.34 1.11 4.22 -1.26 -1.09 114.94 120.20 2k5n s ASN 4 Ca 0.39 0.11 0.04 0.00 -2.14 0.00 0.00 52.86 51.27 2k5n s ASN 4 Cb 0.03 -1.47 -0.03 0.00 1.28 0.00 0.00 41.25 41.06 2k5n s ASN 4 CO 0.23 0.34 0.18 -0.83 -2.04 0.00 0.00 177.10 174.99 2k5n s GLY 5 N -1.17 2.29 -0.02 0.45 0.00 0.68 -4.11 107.32 105.43 2k5n s GLY 5 Ca 0.16 -1.69 0.07 0.00 0.00 0.00 0.00 44.72 43.26 2k5n s GLY 5 CO 0.06 -1.62 -0.23 -1.59 0.00 0.00 0.00 173.10 169.72 2k5n s THR 6 N -3.46 1.78 -0.49 0.90 2.01 0.23 -0.18 115.64 116.44 2k5n s THR 6 Ca 0.34 -0.96 -0.28 0.00 0.31 0.00 0.00 61.69 61.09 2k5n s THR 6 Cb 0.04 -1.48 0.02 0.00 0.01 0.00 0.00 72.50 71.08 2k5n s THR 6 CO 0.19 0.50 1.36 -0.63 -0.69 0.00 0.00 174.62 175.36 2k5n s ILE 7 N -0.49 3.90 -0.24 1.82 1.01 -0.17 -1.14 121.20 125.90 2k5n s ILE 7 Ca 0.08 0.86 -0.05 0.00 0.00 0.00 0.00 60.65 61.54 2k5n s ILE 7 Cb -0.09 -4.38 -0.17 0.00 0.01 0.00 0.00 42.46 37.83 2k5n s ILE 7 CO -0.01 -0.99 -0.14 0.35 0.00 0.00 0.00 174.94 174.16 2k5n n THR 8 N 6.95 1.55 -3.94 2.92 -2.24 -1.01 -0.59 114.28 117.90 2k5n n THR 8 Ca 0.14 -0.51 -0.24 0.00 -2.27 0.00 0.00 64.05 61.17 2k5n n THR 8 Cb 0.49 -1.62 -0.17 0.00 -2.10 0.00 0.00 70.33 66.93 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 -2.51 0.75 -0.02 4.28 2.01 -0.96 -4.85 115.64 114.34 2k5n s THR 9 Ca -0.34 -0.14 0.00 0.00 0.31 0.00 0.00 61.69 61.52 2k5n s THR 9 Cb 0.10 -0.81 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2k5n s THR 9 CO 0.60 0.31 0.02 0.86 -0.69 0.00 0.00 174.62 175.73 2k5n s TRP 10 N 1.63 0.10 -0.65 4.92 -0.11 -1.26 0.99 118.94 124.55 2k5n s TRP 10 Ca 0.02 0.10 -0.07 0.00 1.22 0.00 0.00 56.10 57.36 2k5n s TRP 10 Cb -0.13 -0.29 0.17 0.00 -1.50 0.00 0.00 33.47 31.72 2k5n s TRP 10 CO -0.05 -0.10 0.52 -0.06 -4.62 0.00 0.00 176.95 172.63 2k5n s PHE 11 N 1.08 3.52 0.11 5.86 0.08 0.45 -4.96 117.98 124.12 2k5n s PHE 11 Ca -0.09 -2.33 -0.21 0.00 0.12 0.00 0.00 56.93 54.42 2k5n s PHE 11 Cb -0.13 -3.45 -0.10 0.00 -0.57 0.00 0.00 43.02 38.77 2k5n s PHE 11 CO -0.03 -0.92 1.75 -0.22 -0.10 0.00 0.00 175.22 175.70 2k5n h LYS 12 N 7.55 0.10 -0.49 0.44 3.11 -1.96 0.34 116.57 125.65 2k5n h LYS 12 Ca -0.02 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.83 2k5n h LYS 12 Cb 1.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.18 2k5n h LYS 12 CO 0.75 0.07 0.30 0.22 -2.81 0.00 0.00 179.45 177.98 2k5n h ASP 13 N 0.10 0.49 -0.01 4.20 3.58 -1.95 -3.08 116.42 119.76 2k5n h ASP 13 Ca 0.04 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.24 2k5n h ASP 13 Cb 0.01 -0.11 0.02 0.00 1.72 0.00 0.00 39.33 40.97 2k5n h ASP 13 CO -0.03 0.35 -0.97 0.50 -2.88 0.00 0.00 179.24 176.21 2k5n h LYS 14 N 0.60 0.71 0.00 0.28 1.63 -1.90 -3.48 116.57 114.41 2k5n h LYS 14 Ca 0.19 -0.71 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2k5n h LYS 14 Cb -0.00 0.19 0.00 0.00 -0.60 0.00 0.00 32.23 31.82 2k5n h LYS 14 CO -0.08 1.29 0.00 0.41 -3.45 0.00 0.00 179.45 177.63 2k5n n GLY 15 N 0.97 0.98 3.46 5.01 0.00 0.12 -5.04 105.19 110.69 2k5n n GLY 15 Ca -0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 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 1.79 -0.01 1.61 -0.71 -1.17 0.07 117.98 117.57 2k5n s PHE 16 Ca 0.00 -1.20 -0.03 0.00 -1.04 0.00 0.00 56.93 54.66 2k5n s PHE 16 Cb 0.00 -1.13 0.01 0.00 -1.21 0.00 0.00 43.02 40.68 2k5n s PHE 16 CO 0.00 -0.25 0.11 0.41 -1.34 0.00 0.00 175.22 174.16 2k5n n GLY 17 N -0.78 0.41 2.85 1.99 0.00 -0.70 -0.41 105.19 108.55 2k5n n GLY 17 Ca -0.04 -0.82 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.19 0.84 -0.20 1.61 0.08 0.28 -0.95 117.98 117.44 2k5n s PHE 18 Ca 0.03 -0.27 -0.00 0.00 0.12 0.00 0.00 56.93 56.80 2k5n s PHE 18 Cb -0.00 -0.81 0.02 0.00 -0.57 0.00 0.00 43.02 41.66 2k5n s PHE 18 CO -0.00 -0.29 -0.15 0.42 -0.10 0.00 0.00 175.22 175.10 2k5n s ILE 19 N 1.45 2.44 -0.21 0.64 1.01 -1.10 -2.26 121.20 123.17 2k5n s ILE 19 Ca -0.02 -0.88 -0.06 0.00 0.00 0.00 0.00 60.65 59.68 2k5n s ILE 19 Cb -0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 2k5n s ILE 19 CO -0.03 0.45 0.03 -0.75 0.00 0.00 0.00 174.94 174.64 2k5n s LYS 20 N 1.33 3.68 0.51 2.79 2.20 -0.29 -1.19 119.74 128.77 2k5n s LYS 20 Ca 0.04 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.14 2k5n s LYS 20 Cb -0.14 -3.17 0.11 0.00 -1.51 0.00 0.00 37.83 33.12 2k5n s LYS 20 CO -0.10 -0.00 0.69 -0.40 -0.36 0.00 0.00 175.35 175.18 2k5n n ASP 21 N 4.33 0.64 -0.72 1.43 5.75 -1.22 -0.60 116.55 126.16 2k5n n ASP 21 Ca -0.17 -1.61 0.07 0.00 -0.01 0.00 0.00 54.79 53.08 2k5n n ASP 21 Cb 0.52 -0.48 0.14 0.00 -1.03 0.00 0.00 41.12 40.27 2k5n n ASP 21 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 2k5n n GLU 22 N -2.34 1.99 -0.12 0.11 2.13 -1.26 -4.30 120.64 116.84 2k5n n GLU 22 Ca 0.11 -1.83 -0.25 0.00 0.66 0.00 0.00 57.16 55.84 2k5n n GLU 22 Cb 0.37 -1.32 -0.11 0.00 0.27 0.00 0.00 31.44 30.65 2k5n n GLU 22 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k5n n ASN 23 N 0.84 1.91 0.00 4.31 5.15 -1.26 -4.97 115.26 121.23 2k5n n ASN 23 Ca 0.12 0.38 0.00 0.00 -0.60 0.00 0.00 54.58 54.48 2k5n n ASN 23 Cb 0.43 -0.90 0.00 0.00 -0.53 0.00 0.00 39.78 38.78 2k5n n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k5n n GLY 24 N 1.36 0.47 0.00 8.20 0.00 -1.26 -5.18 105.19 108.79 2k5n n GLY 24 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 -4.74 1.61 -0.08 -1.26 -4.91 116.55 107.17 2k5n n ASP 25 Ca 0.00 -0.85 -0.41 0.00 -1.51 0.00 0.00 54.79 52.02 2k5n n ASP 25 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 2k5n n ASP 25 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2k5n s ASN 26 N -0.56 7.21 0.10 1.67 6.03 -1.26 -3.40 114.94 124.73 2k5n s ASN 26 Ca 0.00 2.14 0.03 0.00 -1.03 0.00 0.00 52.86 54.00 2k5n s ASN 26 Cb 0.00 -2.61 -0.04 0.00 -3.03 0.00 0.00 41.25 35.57 2k5n s ASN 26 CO 0.00 -0.26 0.15 -0.13 -2.03 0.00 0.00 177.10 174.83 2k5n s ARG 27 N -0.40 3.10 -0.30 3.55 3.00 -0.33 -4.86 118.95 122.71 2k5n s ARG 27 Ca 0.50 -0.65 -0.29 0.00 0.00 0.00 0.00 55.73 55.29 2k5n s ARG 27 Cb -0.30 -2.82 0.02 0.00 0.00 0.00 0.00 34.95 31.84 2k5n s ARG 27 CO 0.36 0.56 1.07 -0.47 0.00 0.00 0.00 175.30 176.81 2k5n s TYR 28 N -1.54 3.20 0.19 -0.53 5.04 0.95 -2.70 117.35 121.96 2k5n s TYR 28 Ca 0.32 1.27 0.08 0.00 -2.44 0.00 0.00 57.07 56.29 2k5n s TYR 28 Cb -0.12 -3.58 -0.04 0.00 0.35 0.00 0.00 41.96 38.57 2k5n s TYR 28 CO 0.25 -0.70 0.00 -0.06 -1.34 0.00 0.00 175.55 173.70 2k5n s PHE 29 N 3.54 2.83 -0.02 4.97 0.40 -0.13 -3.94 117.98 125.63 2k5n s PHE 29 Ca 0.45 -0.15 0.00 0.00 -0.60 0.00 0.00 56.93 56.63 2k5n s PHE 29 Cb -0.13 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.08 2k5n s PHE 29 CO 0.13 0.53 0.02 -1.58 0.70 0.00 0.00 175.22 175.02 2k5n s HIS 30 N -1.83 0.05 0.50 0.36 2.46 -1.26 -1.72 115.29 113.84 2k5n s HIS 30 Ca 0.28 0.10 0.33 0.00 0.47 0.00 0.00 55.06 56.24 2k5n s HIS 30 Cb -0.09 -0.21 1.46 0.00 -0.13 0.00 0.00 32.58 33.61 2k5n s HIS 30 CO 0.19 -0.08 1.75 -0.24 -2.47 0.00 0.00 174.74 173.90 2k5n h VAL 31 N 6.09 0.36 -0.23 0.89 3.04 -0.73 0.19 116.25 125.86 2k5n h VAL 31 Ca -0.42 -0.03 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 2k5n h VAL 31 Cb 1.14 0.26 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 2k5n h VAL 31 CO 0.49 0.02 0.01 -0.29 -1.01 0.00 0.00 177.57 176.78 2k5n h ILE 32 N 0.10 1.14 -0.16 3.17 2.10 -1.97 -2.43 117.51 119.46 2k5n h ILE 32 Ca 0.64 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 66.03 2k5n h ILE 32 Cb 2.28 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 38.98 2k5n h ILE 32 CO -0.12 0.19 0.00 0.29 -1.08 0.00 0.00 178.15 177.43 2k5n n LYS 33 N -4.35 1.51 -3.35 2.19 4.76 0.05 -4.81 118.16 114.17 2k5n n LYS 33 Ca 0.00 -0.78 -0.38 0.00 -2.87 0.00 0.00 58.31 54.28 2k5n n LYS 33 Cb 0.19 -1.30 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 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 -1.80 5.10 0.05 -0.18 1.01 -0.92 -2.50 120.40 121.17 2k5n s VAL 34 Ca 0.26 0.97 0.20 0.00 0.00 0.00 0.00 61.98 63.40 2k5n s VAL 34 Cb 0.13 -3.81 0.15 0.00 0.00 0.00 0.00 36.38 32.86 2k5n s VAL 34 CO 0.20 0.41 1.68 0.00 0.00 0.00 0.00 175.10 177.39 2k5n h ALA 35 N 6.01 0.91 -1.56 5.51 0.00 -0.78 -3.35 119.26 126.00 2k5n h ALA 35 Ca -0.44 -0.32 -0.46 0.00 0.00 0.00 0.00 54.91 53.68 2k5n h ALA 35 Cb 1.19 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.61 2k5n h ALA 35 CO 0.71 0.44 -0.91 0.27 0.00 0.00 0.00 179.25 179.75 2k5n n ASN 36 N -3.39 -0.84 0.00 0.00 6.94 -1.23 -4.98 115.26 111.76 2k5n n ASN 36 Ca 0.01 -2.79 0.11 0.00 -0.02 0.00 0.00 54.58 51.89 2k5n n ASN 36 Cb 0.55 0.07 0.48 0.00 -2.36 0.00 0.00 39.78 38.52 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 1.79 0.02 0.00 -0.53 -0.04 -1.26 -2.65 135.00 132.34 2k5n n PRO 37 Ca 0.20 0.11 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 2k5n n PRO 37 Cb 0.55 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 33.08 2k5n n PRO 37 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2k5n n ASP 38 N -1.48 0.00 -0.56 3.54 2.03 -1.26 -2.87 116.55 115.95 2k5n n ASP 38 Ca 0.06 0.50 0.06 0.00 0.52 0.00 0.00 54.79 55.93 2k5n n ASP 38 Cb 0.26 -0.50 0.09 0.00 -0.72 0.00 0.00 41.12 40.24 2k5n n ASP 38 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k5n n LEU 39 N -1.50 2.32 -4.71 -2.67 4.77 -1.08 -5.01 117.00 109.11 2k5n n LEU 39 Ca 0.07 -1.28 -0.42 0.00 -0.03 0.00 0.00 56.01 54.34 2k5n n LEU 39 Cb 0.32 -0.07 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 2k5n n LEU 39 CO 0.25 0.49 1.21 -0.63 -1.33 0.00 0.00 177.39 177.37 2k5n s ILE 40 N -1.03 2.82 0.16 -0.08 1.01 -1.14 -4.92 121.20 118.02 2k5n s ILE 40 Ca 0.18 0.56 -0.04 0.00 0.00 0.00 0.00 60.65 61.34 2k5n s ILE 40 Cb 0.11 -3.36 -0.03 0.00 0.01 0.00 0.00 42.46 39.20 2k5n s ILE 40 CO 0.16 0.04 0.17 -1.59 0.00 0.00 0.00 174.94 173.72 2k5n s LYS 41 N 1.33 1.07 0.33 2.79 -2.85 -1.26 -5.12 119.74 116.02 2k5n s LYS 41 Ca 0.69 -1.35 -0.26 0.00 -1.00 0.00 0.00 55.97 54.05 2k5n s LYS 41 Cb -0.42 0.31 -0.10 0.00 -2.06 0.00 0.00 37.83 35.56 2k5n s LYS 41 CO 0.31 -0.35 0.94 0.21 0.10 0.00 0.00 175.35 176.56 2k5n s LYS 42 N -4.03 4.55 -1.20 1.78 2.36 -1.26 -3.51 119.74 118.42 2k5n s LYS 42 Ca 0.23 1.30 0.00 0.00 -2.55 0.00 0.00 55.97 54.95 2k5n s LYS 42 Cb 0.05 -2.74 0.00 0.00 -1.05 0.00 0.00 37.83 34.09 2k5n s LYS 42 CO 0.03 0.25 0.00 -3.47 1.55 0.00 0.00 175.35 173.71 2k5n n ASP 43 N 0.45 -4.25 -4.82 1.43 2.03 0.24 -5.00 116.55 106.63 2k5n n ASP 43 Ca 0.02 0.06 -0.31 0.00 0.52 0.00 0.00 54.79 55.08 2k5n n ASP 43 Cb 0.50 -3.33 -0.06 0.00 -0.72 0.00 0.00 41.12 37.52 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 3.69 0.04 -1.67 0.00 -1.23 -4.84 121.76 115.11 2k5n s ALA 44 Ca 0.00 -0.93 -0.20 0.00 0.00 0.00 0.00 51.96 50.83 2k5n s ALA 44 Cb 0.00 -1.58 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 2k5n s ALA 44 CO 0.00 0.75 0.58 0.00 0.00 0.00 0.00 175.76 177.09 2k5n s ALA 45 N -1.36 3.54 0.10 0.00 0.00 -1.26 -1.00 121.76 121.78 2k5n s ALA 45 Ca 0.29 0.03 0.04 0.00 0.00 0.00 0.00 51.96 52.31 2k5n s ALA 45 Cb -0.12 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.28 2k5n s ALA 45 CO 0.21 0.29 -0.10 0.14 0.00 0.00 0.00 175.76 176.31 2k5n s VAL 46 N -0.69 0.91 -0.10 0.00 -7.23 0.75 -0.10 120.40 113.94 2k5n s VAL 46 Ca 0.30 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 2k5n s VAL 46 Cb -0.19 -1.36 -0.02 0.00 0.56 0.00 0.00 36.38 35.37 2k5n s VAL 46 CO 0.18 -0.58 -0.12 0.42 -0.31 0.00 0.00 175.10 174.70 2k5n s THR 47 N -2.50 3.22 0.33 5.32 -4.23 0.32 -0.23 115.64 117.87 2k5n s THR 47 Ca 0.06 -0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 2k5n s THR 47 Cb -0.02 -2.33 0.03 0.00 1.34 0.00 0.00 72.50 71.51 2k5n s THR 47 CO -0.00 0.55 0.65 0.72 -0.54 0.00 0.00 174.62 176.00 2k5n s PHE 48 N -0.07 0.32 -0.03 3.99 -0.12 -0.25 -0.30 117.98 121.52 2k5n s PHE 48 Ca -0.02 -0.80 0.05 0.00 -0.05 0.00 0.00 56.93 56.11 2k5n s PHE 48 Cb -0.14 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 2k5n s PHE 48 CO 0.04 -1.32 -0.17 -1.21 -0.05 0.00 0.00 175.22 172.50 2k5n s GLU 49 N -3.05 2.35 0.07 1.99 2.02 -1.14 -0.96 118.70 119.98 2k5n s GLU 49 Ca 0.19 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 54.11 2k5n s GLU 49 Cb -0.03 -2.27 -0.05 0.00 0.10 0.00 0.00 34.13 31.87 2k5n s GLU 49 CO 0.12 0.60 0.88 -1.25 0.02 0.00 0.00 175.26 175.63 2k5n s PRO 50 N -0.82 4.60 0.19 0.39 0.05 -1.26 -3.13 135.00 135.02 2k5n s PRO 50 Ca 0.12 1.28 -0.02 0.00 0.05 0.00 0.00 61.00 62.43 2k5n s PRO 50 Cb -0.10 -3.38 0.01 0.00 0.05 0.00 0.00 34.50 31.07 2k5n s PRO 50 CO 0.01 0.21 0.28 -2.37 0.05 0.00 0.00 177.00 175.17 2k5n n THR 51 N 2.95 0.00 -4.55 1.26 5.66 0.38 -4.98 114.28 114.99 2k5n n THR 51 Ca 0.01 -0.92 -0.26 0.00 -3.05 0.00 0.00 64.05 59.83 2k5n n THR 51 Cb 0.50 0.59 -0.14 0.00 -1.55 0.00 0.00 70.33 69.73 2k5n n THR 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2k5n s THR 52 N -2.63 1.74 -0.09 1.09 2.01 -1.26 -1.00 115.64 115.51 2k5n s THR 52 Ca 0.15 -1.33 -0.09 0.00 0.31 0.00 0.00 61.69 60.73 2k5n s THR 52 Cb -0.01 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 2k5n s THR 52 CO 0.11 0.14 -0.18 -3.20 -0.69 0.00 0.00 174.62 170.80 2k5n n ASN 53 N 1.59 1.01 0.03 3.53 2.85 -0.99 -4.82 115.26 118.46 2k5n n ASN 53 Ca -0.18 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2k5n n ASN 53 Cb 0.53 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 40.95 2k5n n ASN 53 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k5n n ASN 54 N -3.52 -0.59 -2.04 1.20 4.05 -1.26 -4.96 115.26 108.15 2k5n n ASN 54 Ca -0.07 0.28 -0.17 0.00 0.45 0.00 0.00 54.58 55.07 2k5n n ASN 54 Cb 0.26 0.78 0.19 0.00 1.23 0.00 0.00 39.78 42.25 2k5n n ASN 54 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2k5n n LYS 55 N -2.39 2.49 0.00 1.20 5.02 -1.26 -4.96 118.16 118.26 2k5n n LYS 55 Ca 0.00 -2.70 0.00 0.00 -2.02 0.00 0.00 58.31 53.59 2k5n n LYS 55 Cb 0.00 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 32.94 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 -0.73 1.02 3.80 0.72 0.00 -1.26 -5.14 105.19 103.60 2k5n n GLY 56 Ca 0.49 -1.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.00 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 4.23 0.20 0.99 1.43 -1.26 -2.35 118.68 121.92 2k5n s LEU 57 Ca 0.00 1.71 -0.06 0.00 -1.03 0.00 0.00 54.13 54.76 2k5n s LEU 57 Cb 0.00 -4.08 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 2k5n s LEU 57 CO 0.00 -0.13 0.25 -0.44 0.23 0.00 0.00 176.35 176.26 2k5n s SER 58 N -1.79 0.08 0.04 2.29 0.01 -0.17 -0.04 113.70 114.12 2k5n s SER 58 Ca 0.52 -1.16 -0.07 0.00 1.31 0.00 0.00 55.95 56.55 2k5n s SER 58 Cb -0.16 0.44 -0.00 0.00 0.21 0.00 0.00 66.02 66.51 2k5n s SER 58 CO 0.20 -0.93 0.14 0.00 0.41 0.00 0.00 173.24 173.06 2k5n s ALA 59 N -4.08 -0.19 0.37 1.44 0.00 -1.25 -0.47 121.76 117.57 2k5n s ALA 59 Ca 0.30 -0.43 0.06 0.00 0.00 0.00 0.00 51.96 51.88 2k5n s ALA 59 Cb 0.04 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 2k5n s ALA 59 CO 0.08 -0.33 0.22 1.52 0.00 0.00 0.00 175.76 177.25 2k5n s TYR 60 N -2.54 1.76 -1.30 0.00 -0.85 -1.18 -4.83 117.35 108.40 2k5n s TYR 60 Ca -0.05 -1.52 -0.01 0.00 -0.52 0.00 0.00 57.07 54.97 2k5n s TYR 60 Cb -0.01 -0.90 -0.00 0.00 0.38 0.00 0.00 41.96 41.42 2k5n s TYR 60 CO -0.04 -0.64 0.69 0.00 -1.52 0.00 0.00 175.55 174.04 2k5n n ALA 61 N -0.76 -2.04 -2.58 9.51 0.00 -1.04 -2.88 120.51 120.72 2k5n n ALA 61 Ca 0.02 -0.17 -0.42 0.00 0.00 0.00 0.00 53.44 52.86 2k5n n ALA 61 Cb 0.63 -2.06 -0.05 0.00 0.00 0.00 0.00 19.45 17.98 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 -3.67 4.68 -0.35 0.00 1.01 -1.17 -4.36 120.40 116.53 2k5n s VAL 62 Ca 0.02 0.80 -0.13 0.00 0.00 0.00 0.00 61.98 62.67 2k5n s VAL 62 Cb -0.01 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 2k5n s VAL 62 CO 0.82 -0.54 0.24 -0.54 0.00 0.00 0.00 175.10 175.08 2k5n s LYS 63 N 3.24 3.42 0.12 2.72 3.01 0.59 -0.06 119.74 132.78 2k5n s LYS 63 Ca 0.32 -0.70 -0.31 0.00 -1.01 0.00 0.00 55.97 54.28 2k5n s LYS 63 Cb -0.13 -3.82 -0.07 0.00 -1.01 0.00 0.00 37.83 32.80 2k5n s LYS 63 CO 0.19 -0.48 1.30 0.08 0.51 0.00 0.00 175.35 176.94 2k5n s VAL 64 N 1.71 3.54 -0.76 3.17 1.01 -1.26 -0.52 120.40 127.28 2k5n s VAL 64 Ca 0.06 1.15 -0.05 0.00 0.00 0.00 0.00 61.98 63.14 2k5n s VAL 64 Cb -0.18 -3.74 0.19 0.00 0.00 0.00 0.00 36.38 32.66 2k5n s VAL 64 CO 0.10 0.11 0.63 -0.69 0.00 0.00 0.00 175.10 175.26 2k5n s VAL 65 N 0.78 4.36 0.60 2.92 1.01 0.85 -4.95 120.40 125.97 2k5n s VAL 65 Ca 0.60 -3.16 -0.13 0.00 0.00 0.00 0.00 61.98 59.29 2k5n s VAL 65 Cb -0.34 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2k5n s VAL 65 CO 0.32 -0.98 1.02 -2.16 0.00 0.00 0.00 175.10 173.30 2k5n s PRO 66 N -0.46 3.59 -0.09 2.72 0.04 -1.26 -4.16 135.00 135.38 2k5n s PRO 66 Ca 0.21 0.88 0.10 0.00 0.04 0.00 0.00 61.00 62.23 2k5n s PRO 66 Cb -0.14 -2.08 0.45 0.00 0.04 0.00 0.00 34.50 32.77 2k5n s PRO 66 CO -0.07 -0.57 1.26 1.28 0.04 0.00 0.00 177.00 178.94 2k5n n LEU 67 N -2.39 3.27 -2.99 -3.56 4.77 -1.26 -4.27 117.00 110.58 2k5n n LEU 67 Ca 0.07 -1.65 -0.15 0.00 -0.03 0.00 0.00 56.01 54.24 2k5n n LEU 67 Cb 0.54 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2k5n n LEU 67 CO 0.53 0.51 -0.02 1.21 -1.33 0.00 0.00 177.39 178.29 2k5n n GLU 68 N 0.51 0.87 0.00 3.23 0.00 -1.26 -5.09 120.64 118.90 2k5n n GLU 68 Ca 0.16 -2.64 0.00 0.00 0.00 0.00 0.00 57.16 54.67 2k5n n GLU 68 Cb 0.65 -1.37 0.00 0.00 0.00 0.00 0.00 31.44 30.73 2k5n n GLU 68 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2k5n n HIS 69 N 0.90 0.00 -2.07 4.31 8.25 -1.26 -4.77 115.22 120.58 2k5n n HIS 69 Ca 0.16 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.43 2k5n n HIS 69 Cb 0.63 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.70 2k5n n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k5n n HIS 70 N 0.00 -0.58 0.20 4.41 8.25 -1.26 -4.73 115.22 121.52 2k5n n HIS 70 Ca 0.00 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.54 2k5n n HIS 70 Cb 0.00 -3.60 0.39 0.00 1.12 0.00 0.00 29.99 27.90 2k5n n HIS 70 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2k5n h HIS 71 N 0.00 0.00 -3.34 4.41 -0.00 -2.01 -3.39 115.15 110.83 2k5n h HIS 71 Ca -0.44 0.00 -0.72 0.00 -0.00 0.00 0.00 60.37 59.21 2k5n h HIS 71 Cb 1.32 0.00 -0.29 0.00 -0.00 0.00 0.00 27.41 28.44 2k5n h HIS 71 CO 0.53 0.30 -0.41 -1.58 -0.00 0.00 0.00 177.93 176.77 2k5n s HIS 72 N -3.63 3.40 -0.41 5.26 5.65 -1.26 -4.80 115.29 119.49 2k5n s HIS 72 Ca 0.00 -1.79 0.06 0.00 0.25 0.00 0.00 55.06 53.58 2k5n s HIS 72 Cb 0.11 -3.36 -0.04 0.00 -1.18 0.00 0.00 32.58 28.11 2k5n s HIS 72 CO 0.66 -0.96 0.36 1.58 -0.65 0.00 0.00 174.74 175.74 2k5n n HIS 73 N 4.91 0.00 -1.65 3.88 -0.00 -1.26 -5.19 115.22 115.90 2k5n n HIS 73 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2k5n n HIS 73 Cb 0.41 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.28 2k5n n HIS 73 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41