#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 3.67 0.13 3.04 0.00 -1.26 -4.71 121.76 122.63 2k5n s ALA 2 Ca 0.00 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.26 2k5n s ALA 2 Cb 0.00 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.32 2k5n s ALA 2 CO 0.00 -1.31 0.23 -1.64 0.00 0.00 0.00 175.76 173.04 2k5n s MET 3 N 3.37 3.31 -0.03 0.00 1.00 -0.50 -4.83 119.30 121.62 2k5n s MET 3 Ca 0.80 -0.62 -0.04 0.00 0.00 0.00 0.00 55.69 55.83 2k5n s MET 3 Cb -0.42 -2.91 -0.04 0.00 0.00 0.00 0.00 34.83 31.46 2k5n s MET 3 CO 0.36 0.53 0.19 0.54 0.00 0.00 0.00 175.02 176.64 2k5n s ASN 4 N -3.03 6.40 0.12 3.03 4.22 -1.26 -1.07 114.94 123.36 2k5n s ASN 4 Ca 0.34 0.42 -0.07 0.00 -2.14 0.00 0.00 52.86 51.41 2k5n s ASN 4 Cb -0.11 -2.03 -0.01 0.00 1.28 0.00 0.00 41.25 40.37 2k5n s ASN 4 CO 0.27 0.29 0.18 -0.83 -2.04 0.00 0.00 177.10 174.97 2k5n s GLY 5 N -1.72 0.42 -0.11 0.45 0.00 0.44 -2.80 107.32 104.00 2k5n s GLY 5 Ca 0.25 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 2k5n s GLY 5 CO 0.15 -0.96 -0.08 -1.59 0.00 0.00 0.00 173.10 170.63 2k5n s THR 6 N -3.94 3.58 -0.32 0.90 2.01 0.14 -0.61 115.64 117.40 2k5n s THR 6 Ca 0.13 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.34 2k5n s THR 6 Cb 0.05 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2k5n s THR 6 CO -0.05 0.54 1.21 -0.63 -0.69 0.00 0.00 174.62 175.00 2k5n s ILE 7 N -0.12 4.27 -0.16 1.82 1.01 -0.26 -1.24 121.20 126.53 2k5n s ILE 7 Ca 0.01 1.43 -0.01 0.00 0.00 0.00 0.00 60.65 62.08 2k5n s ILE 7 Cb -0.13 -4.29 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 2k5n s ILE 7 CO 0.03 -0.53 -0.16 0.35 0.00 0.00 0.00 174.94 174.63 2k5n n THR 8 N 6.16 0.89 -4.06 2.92 -2.24 -1.18 -0.77 114.28 116.00 2k5n n THR 8 Ca 0.14 -0.31 -0.25 0.00 -2.27 0.00 0.00 64.05 61.35 2k5n n THR 8 Cb 0.47 -1.22 -0.17 0.00 -2.10 0.00 0.00 70.33 67.31 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 -2.31 0.95 -0.07 4.28 2.01 -0.99 -4.91 115.64 114.61 2k5n s THR 9 Ca -0.21 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.46 2k5n s THR 9 Cb 0.06 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.64 2k5n s THR 9 CO 0.34 0.34 0.16 0.86 -0.69 0.00 0.00 174.62 175.64 2k5n s TRP 10 N 1.45 -0.19 -0.66 4.92 -0.11 -1.26 0.71 118.94 123.79 2k5n s TRP 10 Ca -0.00 0.48 0.01 0.00 1.22 0.00 0.00 56.10 57.81 2k5n s TRP 10 Cb -0.13 0.01 0.17 0.00 -1.50 0.00 0.00 33.47 32.01 2k5n s TRP 10 CO -0.05 -0.13 0.47 -0.06 -4.62 0.00 0.00 176.95 172.56 2k5n s PHE 11 N 0.60 3.46 0.54 5.86 0.08 0.13 -4.91 117.98 123.74 2k5n s PHE 11 Ca -0.04 -3.03 0.22 0.00 0.12 0.00 0.00 56.93 54.21 2k5n s PHE 11 Cb -0.06 -3.01 1.50 0.00 -0.57 0.00 0.00 43.02 40.88 2k5n s PHE 11 CO -0.03 -0.74 2.18 -0.22 -0.10 0.00 0.00 175.22 176.31 2k5n h LYS 12 N 6.37 0.00 -0.36 0.44 3.64 -1.95 0.59 116.57 125.30 2k5n h LYS 12 Ca 0.03 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2k5n h LYS 12 Cb 0.87 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.67 2k5n h LYS 12 CO 0.73 0.02 0.13 0.22 -2.27 0.00 0.00 179.45 178.29 2k5n h ASP 13 N 0.00 0.46 0.00 4.20 3.58 -1.94 -3.31 116.42 119.41 2k5n h ASP 13 Ca -0.00 -0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 2k5n h ASP 13 Cb 0.05 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2k5n h ASP 13 CO 0.00 0.43 -1.04 0.29 -2.88 0.00 0.00 179.24 176.04 2k5n n LYS 14 N -4.38 0.70 -0.15 0.28 4.76 -0.62 -5.02 118.16 113.72 2k5n n LYS 14 Ca 0.02 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.45 2k5n n LYS 14 Cb 0.15 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2k5n n LYS 14 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k5n n GLY 15 N 2.54 0.92 3.97 0.72 0.00 0.20 -4.96 105.19 108.57 2k5n n GLY 15 Ca -0.00 -0.04 -0.22 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.41 -0.20 1.61 0.40 -1.12 -1.30 117.98 118.78 2k5n s PHE 16 Ca 0.00 0.06 -0.36 0.00 -0.60 0.00 0.00 56.93 56.03 2k5n s PHE 16 Cb 0.00 -1.74 0.15 0.00 0.51 0.00 0.00 43.02 41.94 2k5n s PHE 16 CO 0.00 0.27 1.33 0.20 0.70 0.00 0.00 175.22 177.71 2k5n s GLY 17 N -4.03 -0.29 -0.04 4.36 0.00 -1.14 0.21 107.32 106.39 2k5n s GLY 17 Ca 0.38 1.55 -0.00 0.00 0.00 0.00 0.00 44.72 46.64 2k5n s GLY 17 CO 0.31 0.48 0.01 -1.36 0.00 0.00 0.00 173.10 172.55 2k5n s PHE 18 N -2.19 0.37 -0.10 1.90 0.08 0.22 -0.93 117.98 117.33 2k5n s PHE 18 Ca 0.12 -0.00 0.04 0.00 0.12 0.00 0.00 56.93 57.20 2k5n s PHE 18 Cb 0.01 -0.52 0.00 0.00 -0.57 0.00 0.00 43.02 41.94 2k5n s PHE 18 CO -0.04 -0.19 -0.23 0.42 -0.10 0.00 0.00 175.22 175.09 2k5n s ILE 19 N 1.41 1.95 -0.25 0.64 1.01 -1.17 -2.34 121.20 122.46 2k5n s ILE 19 Ca -0.04 -0.96 -0.16 0.00 0.00 0.00 0.00 60.65 59.49 2k5n s ILE 19 Cb -0.13 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2k5n s ILE 19 CO -0.03 0.54 0.44 -0.75 0.00 0.00 0.00 174.94 175.14 2k5n s LYS 20 N 0.38 4.07 0.32 2.79 2.47 -0.37 -3.38 119.74 126.01 2k5n s LYS 20 Ca -0.18 0.20 -0.03 0.00 -1.56 0.00 0.00 55.97 54.39 2k5n s LYS 20 Cb -0.18 -3.63 0.07 0.00 -1.46 0.00 0.00 37.83 32.63 2k5n s LYS 20 CO 0.08 -0.27 0.44 -0.40 0.16 0.00 0.00 175.35 175.36 2k5n n ASP 21 N 5.29 0.27 0.01 1.43 5.75 -1.12 0.24 116.55 128.41 2k5n n ASP 21 Ca -0.06 -1.31 0.12 0.00 -0.01 0.00 0.00 54.79 53.53 2k5n n ASP 21 Cb 0.50 -0.31 0.19 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.88 0.05 0.06 0.11 2.13 -1.12 -3.83 120.64 116.16 2k5n n GLU 22 Ca 0.06 0.01 -0.20 0.00 0.66 0.00 0.00 57.16 57.68 2k5n n GLU 22 Cb 0.22 -1.52 -0.14 0.00 0.27 0.00 0.00 31.44 30.27 2k5n n GLU 22 CO 0.00 0.00 0.00 -0.97 -0.41 0.00 0.00 177.13 175.75 2k5n h ASN 23 N 0.00 0.63 0.00 4.31 -0.73 -1.94 -3.48 115.58 114.36 2k5n h ASN 23 Ca 0.00 -0.87 0.00 0.00 1.87 0.00 0.00 56.30 57.30 2k5n h ASN 23 Cb 0.54 -0.20 0.00 0.00 0.27 0.00 0.00 38.32 38.93 2k5n h ASN 23 CO 0.00 1.44 0.00 0.61 -0.37 0.00 0.00 177.43 179.11 2k5n n GLY 24 N 1.46 0.78 3.19 1.57 0.00 -1.25 -5.16 105.19 105.77 2k5n n GLY 24 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.81 1.03 -0.13 1.61 2.15 -1.26 -5.01 116.67 114.25 2k5n s ASP 25 Ca 0.00 -1.09 0.02 0.00 0.43 0.00 0.00 52.55 51.91 2k5n s ASP 25 Cb 0.00 0.13 -0.00 0.00 -0.30 0.00 0.00 42.92 42.75 2k5n s ASP 25 CO 0.00 -0.54 -0.19 0.54 -0.17 0.00 0.00 175.17 174.81 2k5n s ASN 26 N -3.08 3.43 0.05 -0.34 4.22 -1.26 -2.80 114.94 115.15 2k5n s ASN 26 Ca 0.17 -0.51 0.06 0.00 -2.14 0.00 0.00 52.86 50.45 2k5n s ASN 26 Cb 0.06 -1.50 -0.02 0.00 1.28 0.00 0.00 41.25 41.06 2k5n s ASN 26 CO -0.01 0.11 -0.17 -0.13 -2.04 0.00 0.00 177.10 174.86 2k5n s ARG 27 N 0.63 1.09 -0.02 3.55 0.52 -1.22 -4.82 118.95 118.69 2k5n s ARG 27 Ca -0.10 -0.88 -0.30 0.00 -0.52 0.00 0.00 55.73 53.93 2k5n s ARG 27 Cb -0.16 -1.17 -0.03 0.00 0.52 0.00 0.00 34.95 34.11 2k5n s ARG 27 CO 0.03 0.29 1.13 -0.47 0.02 0.00 0.00 175.30 176.30 2k5n s TYR 28 N -0.90 3.38 0.18 -0.53 5.04 -1.22 -3.05 117.35 120.25 2k5n s TYR 28 Ca 0.04 1.38 0.08 0.00 -2.44 0.00 0.00 57.07 56.13 2k5n s TYR 28 Cb -0.09 -3.33 -0.04 0.00 0.35 0.00 0.00 41.96 38.85 2k5n s TYR 28 CO 0.02 -0.92 -0.06 -0.06 -1.34 0.00 0.00 175.55 173.20 2k5n s PHE 29 N 1.69 2.72 -0.04 4.97 0.40 -0.10 -3.78 117.98 123.83 2k5n s PHE 29 Ca 0.55 -0.19 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 2k5n s PHE 29 Cb -0.24 -1.32 0.03 0.00 0.51 0.00 0.00 43.02 42.00 2k5n s PHE 29 CO 0.24 0.52 0.08 -1.58 0.70 0.00 0.00 175.22 175.18 2k5n s HIS 30 N -1.74 -0.06 0.45 0.36 2.46 -1.26 -2.88 115.29 112.62 2k5n s HIS 30 Ca 0.26 0.28 0.23 0.00 0.47 0.00 0.00 55.06 56.31 2k5n s HIS 30 Cb -0.09 -0.15 1.23 0.00 -0.13 0.00 0.00 32.58 33.44 2k5n s HIS 30 CO 0.17 -0.12 1.81 -0.24 -2.47 0.00 0.00 174.74 173.89 2k5n h VAL 31 N 6.08 0.54 -0.60 0.89 3.04 -1.57 -1.25 116.25 123.38 2k5n h VAL 31 Ca -0.43 -0.10 0.08 0.00 -1.01 0.00 0.00 66.70 65.25 2k5n h VAL 31 Cb 1.14 0.24 -0.04 0.00 -2.01 0.00 0.00 31.29 30.62 2k5n h VAL 31 CO 0.46 0.05 0.40 -0.29 -1.01 0.00 0.00 177.57 177.18 2k5n h ILE 32 N 0.28 0.94 -0.60 3.17 2.10 -1.97 -0.90 117.51 120.52 2k5n h ILE 32 Ca 0.54 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 66.31 2k5n h ILE 32 Cb 1.58 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.72 2k5n h ILE 32 CO -0.18 0.09 0.00 0.29 -1.08 0.00 0.00 178.15 177.27 2k5n n LYS 33 N -4.48 2.48 -3.60 2.19 4.76 -0.47 -4.87 118.16 114.17 2k5n n LYS 33 Ca 0.09 -2.29 -0.36 0.00 -2.87 0.00 0.00 58.31 52.88 2k5n n LYS 33 Cb 0.31 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.93 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 -1.20 5.34 0.01 -0.18 1.01 -0.35 -0.65 120.40 124.38 2k5n s VAL 34 Ca 0.43 0.44 -0.21 0.00 0.00 0.00 0.00 61.98 62.64 2k5n s VAL 34 Cb 0.22 -3.58 -0.19 0.00 0.00 0.00 0.00 36.38 32.83 2k5n s VAL 34 CO 0.30 0.41 1.19 0.00 0.00 0.00 0.00 175.10 177.00 2k5n h ALA 35 N 6.61 0.14 -2.59 5.51 0.00 -1.20 -3.40 119.26 124.33 2k5n h ALA 35 Ca -0.42 -0.45 -0.60 0.00 0.00 0.00 0.00 54.91 53.45 2k5n h ALA 35 Cb 1.16 -0.01 -0.39 0.00 0.00 0.00 0.00 17.79 18.55 2k5n h ALA 35 CO 0.75 0.20 -0.84 0.27 0.00 0.00 0.00 179.25 179.64 2k5n n ASN 36 N -4.41 0.83 0.22 0.00 6.94 -1.26 -4.97 115.26 112.62 2k5n n ASN 36 Ca -0.08 -2.70 0.11 0.00 -0.02 0.00 0.00 54.58 51.89 2k5n n ASN 36 Cb 0.51 -0.63 0.36 0.00 -2.36 0.00 0.00 39.78 37.66 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 5.45 0.00 0.00 -0.53 0.13 -1.91 -3.09 132.00 132.05 2k5n h PRO 37 Ca 0.22 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.25 2k5n h PRO 37 Cb 0.85 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.97 2k5n h PRO 37 CO 0.50 0.17 -0.45 0.22 -0.23 0.00 0.00 178.00 178.21 2k5n h ASP 38 N 0.00 0.00 0.47 1.44 3.58 -1.95 -2.39 116.42 117.57 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 0.87 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.92 2k5n h ASP 38 CO 0.02 0.45 -0.07 0.18 -2.88 0.00 0.00 179.24 176.95 2k5n n LEU 39 N -3.73 0.25 -4.62 2.28 4.77 -1.17 -4.72 117.00 110.07 2k5n n LEU 39 Ca -0.01 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.68 2k5n n LEU 39 Cb 0.52 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.35 2k5n n LEU 39 CO 0.39 0.05 1.31 -0.63 -1.33 0.00 0.00 177.39 177.17 2k5n s ILE 40 N -2.55 3.81 0.33 -0.08 1.01 -0.90 -4.98 121.20 117.84 2k5n s ILE 40 Ca 0.28 0.88 0.03 0.00 0.00 0.00 0.00 60.65 61.84 2k5n s ILE 40 Cb 0.20 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2k5n s ILE 40 CO 0.48 -0.49 0.14 -0.54 0.00 0.00 0.00 174.94 174.53 2k5n s LYS 41 N 4.82 1.67 0.33 2.79 -0.14 -1.26 -5.04 119.74 122.91 2k5n s LYS 41 Ca 0.67 -1.97 -0.28 0.00 -1.36 0.00 0.00 55.97 53.03 2k5n s LYS 41 Cb -0.19 -0.28 -0.10 0.00 -1.68 0.00 0.00 37.83 35.58 2k5n s LYS 41 CO 0.30 -0.43 1.20 0.21 -0.76 0.00 0.00 175.35 175.86 2k5n s LYS 42 N -3.80 4.39 0.00 1.68 2.36 -1.26 -2.87 119.74 120.24 2k5n s LYS 42 Ca 0.33 1.97 0.00 0.00 -2.55 0.00 0.00 55.97 55.73 2k5n s LYS 42 Cb 0.05 -3.02 0.00 0.00 -1.05 0.00 0.00 37.83 33.81 2k5n s LYS 42 CO 0.17 -0.07 0.00 -3.47 1.55 0.00 0.00 175.35 173.53 2k5n n ASP 43 N 0.77 -2.31 -4.84 1.43 2.03 0.05 -4.98 116.55 108.71 2k5n n ASP 43 Ca 0.01 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2k5n n ASP 43 Cb 0.44 -1.02 -0.05 0.00 -0.72 0.00 0.00 41.12 39.77 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 -2.32 3.12 -0.14 -1.67 0.00 -1.14 -4.77 121.76 114.83 2k5n s ALA 44 Ca 0.00 0.22 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 2k5n s ALA 44 Cb 0.00 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.03 2k5n s ALA 44 CO 0.00 0.02 0.11 0.00 0.00 0.00 0.00 175.76 175.89 2k5n s ALA 45 N -2.33 3.72 0.15 0.00 0.00 -1.26 -1.10 121.76 120.94 2k5n s ALA 45 Ca 0.59 -0.68 0.05 0.00 0.00 0.00 0.00 51.96 51.92 2k5n s ALA 45 Cb -0.10 -1.96 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 2k5n s ALA 45 CO 0.22 0.46 -0.12 0.14 0.00 0.00 0.00 175.76 176.46 2k5n s VAL 46 N -0.54 1.28 -0.07 0.00 -7.23 0.22 -0.51 120.40 113.56 2k5n s VAL 46 Ca 0.12 -2.01 0.05 0.00 -1.81 0.00 0.00 61.98 58.33 2k5n s VAL 46 Cb -0.12 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.01 2k5n s VAL 46 CO 0.02 -0.66 -0.22 0.42 -0.31 0.00 0.00 175.10 174.36 2k5n s THR 47 N -3.01 2.34 0.14 5.32 -4.23 0.77 -0.42 115.64 116.55 2k5n s THR 47 Ca 0.16 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 59.66 2k5n s THR 47 Cb 0.00 -1.88 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 2k5n s THR 47 CO 0.02 0.57 0.16 0.72 -0.54 0.00 0.00 174.62 175.55 2k5n s PHE 48 N -0.19 0.61 -0.05 3.99 -0.12 -0.23 -0.59 117.98 121.40 2k5n s PHE 48 Ca -0.02 -0.99 -0.08 0.00 -0.05 0.00 0.00 56.93 55.79 2k5n s PHE 48 Cb -0.14 -0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 41.94 2k5n s PHE 48 CO 0.03 -0.61 0.23 -1.21 -0.05 0.00 0.00 175.22 173.62 2k5n s GLU 49 N -4.00 3.56 0.31 1.99 0.41 0.71 -1.41 118.70 120.27 2k5n s GLU 49 Ca 0.20 -0.05 -0.27 0.00 -0.41 0.00 0.00 54.97 54.43 2k5n s GLU 49 Cb 0.05 -3.15 -0.09 0.00 -1.78 0.00 0.00 34.13 29.17 2k5n s GLU 49 CO 0.00 0.71 1.00 -1.25 -0.49 0.00 0.00 175.26 175.23 2k5n s PRO 50 N -1.38 4.55 0.23 0.39 0.04 -1.26 -1.28 135.00 136.29 2k5n s PRO 50 Ca 0.22 1.51 -0.19 0.00 0.04 0.00 0.00 61.00 62.58 2k5n s PRO 50 Cb -0.13 -2.92 0.03 0.00 0.04 0.00 0.00 34.50 31.52 2k5n s PRO 50 CO 0.11 0.21 0.61 -0.08 0.04 0.00 0.00 177.00 177.90 2k5n s THR 51 N -1.44 0.01 0.04 1.26 -1.32 -0.47 -4.85 115.64 108.87 2k5n s THR 51 Ca 0.49 -0.80 0.06 0.00 -1.21 0.00 0.00 61.69 60.23 2k5n s THR 51 Cb -0.24 -1.72 -0.03 0.00 -1.51 0.00 0.00 72.50 69.00 2k5n s THR 51 CO 0.30 -0.04 -0.13 0.42 -2.21 0.00 0.00 174.62 172.97 2k5n s THR 52 N -3.89 3.16 0.36 5.08 -4.23 -1.26 -1.62 115.64 113.25 2k5n s THR 52 Ca 0.10 -1.06 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 2k5n s THR 52 Cb -0.03 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 2k5n s THR 52 CO 0.01 0.33 0.17 0.21 -0.54 0.00 0.00 174.62 174.79 2k5n s ASN 53 N -1.54 2.18 0.34 3.99 3.84 0.05 -4.88 114.94 118.92 2k5n s ASN 53 Ca 0.16 -1.66 0.17 0.00 0.21 0.00 0.00 52.86 51.75 2k5n s ASN 53 Cb -0.11 0.48 0.45 0.00 -0.55 0.00 0.00 41.25 41.51 2k5n s ASN 53 CO 0.07 -0.94 1.62 -1.13 -2.79 0.00 0.00 177.10 173.93 2k5n h ASN 54 N 1.99 0.00 1.07 -4.21 -0.73 -2.00 -2.97 115.58 108.73 2k5n h ASN 54 Ca -0.32 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.85 2k5n h ASN 54 Cb 1.26 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.85 2k5n h ASN 54 CO 0.51 0.44 0.00 0.29 -0.37 0.00 0.00 177.43 178.30 2k5n n LYS 55 N -3.41 0.21 0.00 6.67 4.76 -1.26 -5.01 118.16 120.13 2k5n n LYS 55 Ca 0.01 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.76 2k5n n LYS 55 Cb 0.60 -1.82 0.00 0.00 -1.84 0.00 0.00 35.03 31.97 2k5n n LYS 55 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k5n n GLY 56 N 0.64 0.28 3.76 0.72 0.00 -1.12 -5.02 105.19 104.45 2k5n n GLY 56 Ca 0.04 -1.49 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 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 4.61 0.20 0.99 1.43 -1.26 -0.77 118.68 123.87 2k5n s LEU 57 Ca 0.00 1.80 -0.05 0.00 -1.03 0.00 0.00 54.13 54.85 2k5n s LEU 57 Cb 0.00 -3.46 -0.03 0.00 0.03 0.00 0.00 46.19 42.73 2k5n s LEU 57 CO 0.00 0.16 0.23 -0.44 0.23 0.00 0.00 176.35 176.53 2k5n s SER 58 N -1.06 0.10 0.02 2.29 0.01 -0.64 -3.38 113.70 111.04 2k5n s SER 58 Ca 0.39 -1.17 0.01 0.00 1.31 0.00 0.00 55.95 56.49 2k5n s SER 58 Cb -0.24 0.43 -0.02 0.00 0.21 0.00 0.00 66.02 66.39 2k5n s SER 58 CO 0.29 -0.91 -0.04 0.00 0.41 0.00 0.00 173.24 173.00 2k5n s ALA 59 N -4.08 0.23 0.30 1.44 0.00 -1.25 -1.37 121.76 117.04 2k5n s ALA 59 Ca 0.29 -0.59 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2k5n s ALA 59 Cb 0.05 0.11 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 2k5n s ALA 59 CO 0.08 -0.11 0.15 2.48 0.00 0.00 0.00 175.76 178.37 2k5n n TYR 60 N 1.69 -0.16 -3.87 0.00 4.11 -0.40 -4.73 117.16 113.81 2k5n n TYR 60 Ca -0.23 -2.13 -0.28 0.00 -0.00 0.00 0.00 57.90 55.26 2k5n n TYR 60 Cb 0.55 0.08 0.03 0.00 -0.00 0.00 0.00 39.34 40.00 2k5n n TYR 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2k5n n ALA 61 N -1.36 -1.44 -1.96 -3.48 0.00 -1.07 -0.21 120.51 110.99 2k5n n ALA 61 Ca -0.11 0.12 -0.38 0.00 0.00 0.00 0.00 53.44 53.07 2k5n n ALA 61 Cb 0.48 -3.97 -0.03 0.00 0.00 0.00 0.00 19.45 15.94 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 -3.39 3.30 -0.28 0.00 1.01 0.17 -4.43 120.40 116.79 2k5n s VAL 62 Ca 0.52 0.18 -0.07 0.00 0.00 0.00 0.00 61.98 62.62 2k5n s VAL 62 Cb -0.26 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.34 2k5n s VAL 62 CO 0.83 -0.74 0.06 -0.75 0.00 0.00 0.00 175.10 174.50 2k5n s LYS 63 N 7.20 3.24 0.50 2.72 2.20 0.24 -0.69 119.74 135.14 2k5n s LYS 63 Ca 0.73 -0.75 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 2k5n s LYS 63 Cb -0.14 -3.32 -0.07 0.00 -1.51 0.00 0.00 37.83 32.79 2k5n s LYS 63 CO 0.22 -0.37 1.12 0.08 -0.36 0.00 0.00 175.35 176.05 2k5n s VAL 64 N 1.52 3.27 -0.81 4.02 1.01 -1.26 -0.16 120.40 127.99 2k5n s VAL 64 Ca 0.04 0.86 -0.09 0.00 0.00 0.00 0.00 61.98 62.79 2k5n s VAL 64 Cb -0.16 -3.39 0.21 0.00 0.00 0.00 0.00 36.38 33.04 2k5n s VAL 64 CO 0.02 -0.11 0.72 -0.69 0.00 0.00 0.00 175.10 175.04 2k5n s VAL 65 N -1.71 5.00 0.29 2.92 1.01 0.34 -4.81 120.40 123.43 2k5n s VAL 65 Ca 0.68 -2.88 -0.23 0.00 0.00 0.00 0.00 61.98 59.55 2k5n s VAL 65 Cb -0.24 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 31.93 2k5n s VAL 65 CO 0.29 -1.01 0.86 -2.16 0.00 0.00 0.00 175.10 173.07 2k5n s PRO 66 N -0.24 4.41 0.60 2.72 0.04 -1.26 -4.56 135.00 136.71 2k5n s PRO 66 Ca 0.20 1.12 0.33 0.00 0.04 0.00 0.00 61.00 62.69 2k5n s PRO 66 Cb -0.13 -2.77 1.94 0.00 0.04 0.00 0.00 34.50 33.59 2k5n s PRO 66 CO -0.08 0.29 2.28 1.37 0.04 0.00 0.00 177.00 180.90 2k5n h LEU 67 N 3.13 0.00 0.00 -3.56 -0.00 -1.98 -3.44 115.31 109.46 2k5n h LEU 67 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.41 2k5n h LEU 67 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 2k5n h LEU 67 CO 0.65 0.00 0.00 1.21 -0.00 0.00 0.00 178.44 180.30 2k5n n GLU 68 N -3.68 0.00 0.05 0.17 2.13 -1.26 -5.06 120.64 113.00 2k5n n GLU 68 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 2k5n n GLU 68 Cb 0.09 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.80 2k5n n GLU 68 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 2k5n n HIS 69 N -0.78 -0.71 -1.09 4.31 -0.00 -1.26 -5.16 115.22 110.54 2k5n n HIS 69 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 2k5n n HIS 69 Cb 0.00 0.30 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 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 -3.10 -2.47 -1.96 1.57 -0.00 -1.26 -4.89 115.22 103.11 2k5n n HIS 70 Ca 0.00 1.37 -0.41 0.00 0.46 0.00 0.00 57.72 59.14 2k5n n HIS 70 Cb 0.11 -2.71 -0.02 0.00 -0.12 0.00 0.00 29.99 27.25 2k5n n HIS 70 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2k5n s HIS 71 N -0.98 2.97 0.16 1.57 -3.43 -1.26 -4.96 115.29 109.36 2k5n s HIS 71 Ca 0.00 0.95 -0.30 0.00 -0.80 0.00 0.00 55.06 54.91 2k5n s HIS 71 Cb 0.00 -3.87 -0.07 0.00 -1.43 0.00 0.00 32.58 27.20 2k5n s HIS 71 CO 0.00 -2.90 1.05 -1.01 -2.00 0.00 0.00 174.74 169.89 2k5n s HIS 72 N 0.07 3.68 -0.17 0.38 3.76 -1.26 -5.02 115.29 116.73 2k5n s HIS 72 Ca 0.61 1.67 -0.30 0.00 -0.15 0.00 0.00 55.06 56.89 2k5n s HIS 72 Cb -0.43 -3.19 0.14 0.00 1.11 0.00 0.00 32.58 30.20 2k5n s HIS 72 CO 0.43 -0.32 1.07 -1.58 -0.85 0.00 0.00 174.74 173.50 2k5n s HIS 73 N -0.18 -0.29 -0.94 1.40 5.04 -1.26 -5.17 115.29 113.88 2k5n s HIS 73 Ca 0.48 0.46 0.00 0.00 -1.54 0.00 0.00 55.06 54.46 2k5n s HIS 73 Cb -0.27 0.47 0.00 0.00 0.04 0.00 0.00 32.58 32.82 2k5n s HIS 73 CO 0.33 -0.29 0.24 1.58 -2.34 0.00 0.00 174.74 174.26