#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k49 s SER 2 N 0.00 6.38 1.07 7.83 1.04 -1.26 -4.10 113.70 124.66 2k49 s SER 2 Ca 0.00 0.32 -0.16 0.00 0.48 0.00 0.00 55.95 56.59 2k49 s SER 2 Cb 0.00 -1.98 0.23 0.00 0.10 0.00 0.00 66.02 64.37 2k49 s SER 2 CO 0.00 0.08 1.15 -0.83 0.98 0.00 0.00 173.24 174.62 2k49 s GLY 3 N -2.83 1.62 0.15 7.32 0.00 -1.26 -3.76 107.32 108.56 2k49 s GLY 3 Ca 0.37 -0.84 -0.18 0.00 0.00 0.00 0.00 44.72 44.06 2k49 s GLY 3 CO 0.28 -0.08 0.47 0.66 0.00 0.00 0.00 173.10 174.43 2k49 s TRP 4 N -3.23 -0.25 -0.20 1.90 -2.14 0.51 -4.77 118.94 110.76 2k49 s TRP 4 Ca 0.69 -0.05 -0.06 0.00 2.66 0.00 0.00 56.10 59.34 2k49 s TRP 4 Cb -0.11 0.35 -0.03 0.00 -3.10 0.00 0.00 33.47 30.58 2k49 s TRP 4 CO 0.55 -0.78 0.04 0.71 -2.66 0.00 0.00 176.95 174.81 2k49 s TYR 5 N -3.81 3.14 -0.19 1.66 1.51 -0.58 -0.71 117.35 118.36 2k49 s TYR 5 Ca 0.04 -0.19 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 2k49 s TYR 5 Cb 0.01 -2.11 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2k49 s TYR 5 CO -0.10 -0.08 -0.18 -1.21 -1.11 0.00 0.00 175.55 172.87 2k49 s GLU 6 N 0.81 2.84 -0.08 -0.62 2.02 -0.64 0.31 118.70 123.35 2k49 s GLU 6 Ca 0.02 -0.92 -0.19 0.00 0.02 0.00 0.00 54.97 53.91 2k49 s GLU 6 Cb -0.14 -2.62 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 2k49 s GLU 6 CO 0.02 -0.27 0.51 -1.17 0.02 0.00 0.00 175.26 174.37 2k49 s LEU 7 N 1.26 4.33 0.08 1.80 2.96 -0.34 -0.76 118.68 128.02 2k49 s LEU 7 Ca 0.03 0.93 0.03 0.00 -0.22 0.00 0.00 54.13 54.90 2k49 s LEU 7 Cb -0.14 -2.76 -0.03 0.00 0.50 0.00 0.00 46.19 43.76 2k49 s LEU 7 CO -0.12 0.05 -0.10 -0.94 -1.32 0.00 0.00 176.35 173.93 2k49 s SER 8 N 0.28 1.34 0.35 3.68 1.04 0.10 -0.09 113.70 120.40 2k49 s SER 8 Ca 0.28 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 2k49 s SER 8 Cb -0.16 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 65.92 2k49 s SER 8 CO 0.13 -0.25 0.64 -0.75 0.98 0.00 0.00 173.24 173.99 2k49 s LYS 9 N -2.54 3.66 0.32 4.02 2.20 -1.26 -1.15 119.74 124.99 2k49 s LYS 9 Ca 0.02 0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.78 2k49 s LYS 9 Cb -0.04 -2.55 0.01 0.00 -1.51 0.00 0.00 37.83 33.74 2k49 s LYS 9 CO -0.00 0.10 0.08 0.45 -0.36 0.00 0.00 175.35 175.61 2k49 n SER 10 N -1.23 2.62 0.04 1.43 2.88 0.19 -4.91 113.62 114.65 2k49 n SER 10 Ca -0.01 -2.30 -0.10 0.00 -1.33 0.00 0.00 58.87 55.13 2k49 n SER 10 Cb 0.54 0.14 -0.04 0.00 -0.75 0.00 0.00 64.21 64.11 2k49 n SER 10 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2k49 h SER 11 N 0.64 -0.56 0.00 -3.46 4.64 -2.00 -2.29 113.55 110.53 2k49 h SER 11 Ca -0.25 0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 2k49 h SER 11 Cb 0.78 0.24 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 2k49 h SER 11 CO 0.40 -0.25 0.00 0.59 -0.87 0.00 0.00 176.83 176.71 2k49 n ASN 12 N -5.32 2.18 0.00 4.97 3.02 -1.26 -4.76 115.26 114.09 2k49 n ASN 12 Ca -0.04 -1.97 0.00 0.00 -0.03 0.00 0.00 54.58 52.54 2k49 n ASN 12 Cb 0.24 -0.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2k49 n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k49 n ASP 13 N 0.31 0.00 -4.77 6.41 2.03 -0.86 -4.97 116.55 114.71 2k49 n ASP 13 Ca 0.00 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.99 2k49 n ASP 13 Cb 0.40 -1.52 0.08 0.00 -0.72 0.00 0.00 41.12 39.35 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k49 s GLN 14 N -0.57 2.43 -0.03 -0.67 -0.21 -1.26 -4.60 119.66 114.75 2k49 s GLN 14 Ca 0.00 1.28 0.05 0.00 0.02 0.00 0.00 55.36 56.72 2k49 s GLN 14 Cb 0.00 -1.91 -0.02 0.00 1.00 0.00 0.00 33.01 32.07 2k49 s GLN 14 CO 0.00 -1.52 -0.19 -0.06 -2.12 0.00 0.00 175.29 171.40 2k49 s PHE 15 N -2.65 2.56 -0.05 0.91 0.40 -1.13 0.57 117.98 118.60 2k49 s PHE 15 Ca 0.64 -0.26 -0.04 0.00 -0.60 0.00 0.00 56.93 56.67 2k49 s PHE 15 Cb -0.19 -1.58 0.02 0.00 0.51 0.00 0.00 43.02 41.78 2k49 s PHE 15 CO 0.50 0.11 0.12 -1.59 0.70 0.00 0.00 175.22 175.06 2k49 s LYS 16 N -0.72 0.13 0.06 0.44 0.00 -0.30 -0.90 119.74 118.45 2k49 s LYS 16 Ca 0.11 0.19 0.04 0.00 0.00 0.00 0.00 55.97 56.32 2k49 s LYS 16 Cb -0.10 0.03 -0.04 0.00 0.00 0.00 0.00 37.83 37.72 2k49 s LYS 16 CO 0.00 -0.04 -0.04 -0.59 0.00 0.00 0.00 175.35 174.68 2k49 s PHE 17 N 0.24 2.93 -0.12 1.78 -0.71 -1.26 -0.72 117.98 120.11 2k49 s PHE 17 Ca -0.01 -0.04 0.03 0.00 -1.04 0.00 0.00 56.93 55.86 2k49 s PHE 17 Cb -0.03 -1.55 0.01 0.00 -1.21 0.00 0.00 43.02 40.24 2k49 s PHE 17 CO -0.01 0.44 -0.21 0.14 -1.34 0.00 0.00 175.22 174.24 2k49 s VAL 18 N -1.18 1.88 -0.45 -2.49 -7.23 0.06 -1.70 120.40 109.30 2k49 s VAL 18 Ca 0.22 -0.89 -0.25 0.00 -1.81 0.00 0.00 61.98 59.25 2k49 s VAL 18 Cb -0.11 -1.66 0.03 0.00 0.56 0.00 0.00 36.38 35.19 2k49 s VAL 18 CO 0.13 0.52 0.88 -0.22 -0.31 0.00 0.00 175.10 176.10 2k49 s LEU 19 N 0.68 4.08 -0.24 1.32 2.96 0.45 -1.61 118.68 126.32 2k49 s LEU 19 Ca -0.11 0.10 -0.08 0.00 -0.22 0.00 0.00 54.13 53.81 2k49 s LEU 19 Cb -0.16 -3.13 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2k49 s LEU 19 CO 0.02 -0.99 0.10 -0.75 -1.32 0.00 0.00 176.35 173.42 2k49 s LYS 20 N 3.58 3.82 0.82 1.98 2.20 0.11 -1.09 119.74 131.15 2k49 s LYS 20 Ca 0.35 -0.40 -0.11 0.00 -0.36 0.00 0.00 55.97 55.45 2k49 s LYS 20 Cb -0.11 -3.38 0.08 0.00 -1.51 0.00 0.00 37.83 32.91 2k49 s LYS 20 CO 0.24 -0.07 1.09 0.00 -0.36 0.00 0.00 175.35 176.26 2k49 s ALA 21 N 1.33 1.99 0.66 3.13 0.00 0.69 -0.36 121.76 129.19 2k49 s ALA 21 Ca 0.06 0.13 0.33 0.00 0.00 0.00 0.00 51.96 52.48 2k49 s ALA 21 Cb -0.15 -3.24 1.79 0.00 0.00 0.00 0.00 23.12 21.52 2k49 s ALA 21 CO 0.05 -1.99 2.02 0.78 0.00 0.00 0.00 175.76 176.62 2k49 h GLY 22 N -1.29 0.00 0.54 0.00 0.00 -1.71 0.19 103.07 100.80 2k49 h GLY 22 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2k49 h GLY 22 CO 0.53 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.06 2k49 n ASN 23 N -3.00 0.09 -1.25 0.19 5.15 -1.26 -4.60 115.26 110.58 2k49 n ASN 23 Ca -0.02 -1.40 -0.08 0.00 -0.60 0.00 0.00 54.58 52.49 2k49 n ASN 23 Cb 0.33 -0.01 0.02 0.00 -0.53 0.00 0.00 39.78 39.59 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k49 n GLY 24 N 0.83 0.32 3.03 8.20 0.00 0.66 -5.04 105.19 113.19 2k49 n GLY 24 Ca 0.15 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 2k49 n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k49 s GLU 25 N -5.03 2.28 -0.58 1.61 2.12 -1.18 -4.92 118.70 113.00 2k49 s GLU 25 Ca 0.12 -0.90 -0.27 0.00 0.36 0.00 0.00 54.97 54.28 2k49 s GLU 25 Cb -0.05 -2.50 -0.02 0.00 0.26 0.00 0.00 34.13 31.81 2k49 s GLU 25 CO 0.15 -0.39 1.87 0.08 -0.54 0.00 0.00 175.26 176.43 2k49 s VAL 26 N 1.33 3.36 -0.05 3.70 1.01 -1.26 -0.22 120.40 128.26 2k49 s VAL 26 Ca -0.01 0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.03 2k49 s VAL 26 Cb -0.16 -3.88 -0.31 0.00 0.00 0.00 0.00 36.38 32.03 2k49 s VAL 26 CO -0.09 -0.83 0.76 0.16 0.00 0.00 0.00 175.10 175.11 2k49 h ILE 27 N 6.91 1.21 -3.26 2.22 3.07 -1.48 -3.44 117.51 122.74 2k49 h ILE 27 Ca -0.26 -2.52 -0.59 0.00 1.55 0.00 0.00 64.86 63.04 2k49 h ILE 27 Cb 1.17 2.94 -0.35 0.00 -0.27 0.00 0.00 36.82 40.31 2k49 h ILE 27 CO 1.20 0.75 -0.84 -0.76 -1.05 0.00 0.00 178.15 177.46 2k49 s LEU 28 N -7.62 1.73 -0.17 0.16 2.01 -1.18 -3.59 118.68 110.01 2k49 s LEU 28 Ca -0.15 -0.43 -0.00 0.00 0.01 0.00 0.00 54.13 53.55 2k49 s LEU 28 Cb 0.03 -1.10 0.00 0.00 0.01 0.00 0.00 46.19 45.14 2k49 s LEU 28 CO 0.84 0.01 -0.14 -0.89 1.01 0.00 0.00 176.35 177.18 2k49 s THR 29 N 0.99 2.67 0.82 5.49 2.01 0.46 -0.41 115.64 127.68 2k49 s THR 29 Ca -0.06 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.09 2k49 s THR 29 Cb -0.15 -2.15 0.14 0.00 0.01 0.00 0.00 72.50 70.35 2k49 s THR 29 CO -0.02 0.50 1.14 -0.55 -0.69 0.00 0.00 174.62 175.01 2k49 s SER 30 N 1.03 3.99 0.38 3.53 0.15 -0.69 -0.22 113.70 121.87 2k49 s SER 30 Ca -0.01 0.18 0.05 0.00 0.70 0.00 0.00 55.95 56.87 2k49 s SER 30 Cb -0.15 -0.51 0.06 0.00 -1.71 0.00 0.00 66.02 63.72 2k49 s SER 30 CO -0.03 -2.14 0.49 1.21 1.20 0.00 0.00 173.24 173.97 2k49 n GLU 31 N -3.26 0.69 -2.64 5.44 0.00 -1.26 -4.70 120.64 114.91 2k49 n GLU 31 Ca 0.13 -1.84 -0.43 0.00 0.00 0.00 0.00 57.16 55.02 2k49 n GLU 31 Cb 0.60 -0.18 -0.02 0.00 0.00 0.00 0.00 31.44 31.85 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2k49 s LEU 32 N 0.00 4.01 0.26 4.31 1.43 -1.26 -4.34 118.68 123.08 2k49 s LEU 32 Ca 0.37 1.20 -0.09 0.00 -1.03 0.00 0.00 54.13 54.58 2k49 s LEU 32 Cb -0.03 -3.54 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 2k49 s LEU 32 CO 0.24 -0.80 0.58 -0.31 0.23 0.00 0.00 176.35 176.29 2k49 s TYR 33 N 3.48 3.44 -0.51 0.29 1.51 -0.07 -4.92 117.35 120.56 2k49 s TYR 33 Ca 0.45 0.85 0.24 0.00 -1.01 0.00 0.00 57.07 57.60 2k49 s TYR 33 Cb -0.14 -2.25 0.40 0.00 -0.11 0.00 0.00 41.96 39.86 2k49 s TYR 33 CO 0.12 0.21 1.51 1.79 -1.11 0.00 0.00 175.55 178.06 2k49 h THR 34 N 1.78 0.00 -3.88 -0.71 1.35 -1.96 -3.00 112.91 106.49 2k49 h THR 34 Ca -0.47 -0.79 -0.21 0.00 -0.55 0.00 0.00 66.41 64.39 2k49 h THR 34 Cb 1.18 1.63 -0.24 0.00 -1.73 0.00 0.00 68.15 68.99 2k49 h THR 34 CO 0.68 0.00 -0.72 -0.83 -0.25 0.00 0.00 175.52 174.40 2k49 s GLY 35 N -3.99 0.18 0.30 5.82 0.00 -1.26 -4.94 107.32 103.43 2k49 s GLY 35 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.41 2k49 s GLY 35 CO 0.68 -0.39 1.97 1.70 0.00 0.00 0.00 173.10 177.06 2k49 h LYS 36 N 5.31 1.08 -0.08 2.90 3.64 -1.94 -1.78 116.57 125.71 2k49 h LYS 36 Ca -0.29 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.04 2k49 h LYS 36 Cb 1.21 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2k49 h LYS 36 CO 0.45 0.72 -0.02 1.03 -2.27 0.00 0.00 179.45 179.36 2k49 h SER 37 N 1.11 -0.07 -0.86 4.20 0.87 -2.00 -1.69 113.55 115.12 2k49 h SER 37 Ca 0.30 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 2k49 h SER 37 Cb -0.12 0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 61.84 2k49 h SER 37 CO -0.06 -0.03 0.57 1.23 -0.53 0.00 0.00 176.83 178.01 2k49 h GLY 38 N 0.00 1.21 0.93 5.77 0.00 -1.88 -1.00 103.07 108.10 2k49 h GLY 38 Ca 0.04 -0.45 0.01 0.00 0.00 0.00 0.00 47.33 46.93 2k49 h GLY 38 CO -0.08 0.43 0.16 0.00 0.00 0.00 0.00 176.54 177.05 2k49 h ALA 39 N 1.47 0.35 -0.43 3.60 0.00 -0.96 -0.27 119.26 123.02 2k49 h ALA 39 Ca 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2k49 h ALA 39 Cb -0.11 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2k49 h ALA 39 CO -0.07 -0.22 0.26 0.52 0.00 0.00 0.00 179.25 179.74 2k49 h MET 40 N 0.33 0.58 -1.00 0.00 2.86 -0.91 -1.80 114.93 114.99 2k49 h MET 40 Ca 0.11 -0.05 0.17 0.00 -2.06 0.00 0.00 59.70 57.87 2k49 h MET 40 Cb 0.00 -0.12 -0.10 0.00 0.06 0.00 0.00 31.60 31.44 2k49 h MET 40 CO -0.06 0.43 0.62 -0.91 1.06 0.00 0.00 176.91 178.05 2k49 h ASN 41 N 0.57 0.80 -0.70 1.22 2.35 -0.85 0.13 115.58 119.11 2k49 h ASN 41 Ca 0.15 0.08 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 2k49 h ASN 41 Cb -0.00 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2k49 h ASN 41 CO -0.03 0.33 0.45 1.23 -1.65 0.00 0.00 177.43 177.76 2k49 h GLY 42 N 0.81 0.99 0.97 2.83 0.00 -0.26 -1.09 103.07 107.32 2k49 h GLY 42 Ca 0.55 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2k49 h GLY 42 CO -0.34 0.37 0.07 -2.22 0.00 0.00 0.00 176.54 174.42 2k49 h ILE 43 N 0.95 1.06 -0.68 2.60 2.04 -0.01 -1.19 117.51 122.28 2k49 h ILE 43 Ca 0.25 -0.14 -0.04 0.00 1.00 0.00 0.00 64.86 65.93 2k49 h ILE 43 Cb -0.09 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 36.91 2k49 h ILE 43 CO -0.05 0.05 0.26 -0.33 0.00 0.00 0.00 178.15 178.08 2k49 h GLU 44 N 0.12 1.01 -0.23 2.37 5.08 -1.17 -0.99 114.58 120.77 2k49 h GLU 44 Ca 0.04 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 2k49 h GLU 44 Cb 0.02 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2k49 h GLU 44 CO -0.01 0.83 0.08 0.66 -1.00 0.00 0.00 179.01 179.58 2k49 h SER 45 N 0.99 0.33 -0.70 1.42 4.64 -0.91 -1.84 113.55 117.49 2k49 h SER 45 Ca 0.23 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2k49 h SER 45 Cb 0.21 -0.09 -0.03 0.00 -0.31 0.00 0.00 62.40 62.18 2k49 h SER 45 CO -0.02 0.43 0.44 0.58 -0.87 0.00 0.00 176.83 177.39 2k49 h VAL 46 N 0.22 1.19 -0.81 0.95 2.07 -1.01 0.46 116.25 119.32 2k49 h VAL 46 Ca 0.08 -0.40 0.10 0.00 0.82 0.00 0.00 66.70 67.29 2k49 h VAL 46 Cb 0.21 0.20 -0.06 0.00 -1.52 0.00 0.00 31.29 30.13 2k49 h VAL 46 CO -0.00 0.20 0.53 1.56 0.02 0.00 0.00 177.57 179.87 2k49 h GLN 47 N 0.95 0.72 0.18 1.57 4.20 -0.99 0.28 115.11 122.03 2k49 h GLN 47 Ca 0.25 -0.04 -0.32 0.00 0.06 0.00 0.00 58.65 58.60 2k49 h GLN 47 Cb -0.06 -0.16 0.02 0.00 0.30 0.00 0.00 27.48 27.57 2k49 h GLN 47 CO -0.05 0.48 -1.46 1.15 -0.67 0.00 0.00 178.83 178.28 2k49 h THR 48 N 0.75 1.28 0.00 -0.54 2.02 -0.57 -3.38 112.91 112.46 2k49 h THR 48 Ca 0.38 -2.81 -0.21 0.00 0.77 0.00 0.00 66.41 64.53 2k49 h THR 48 Cb 0.46 2.93 -0.03 0.00 -1.74 0.00 0.00 68.15 69.76 2k49 h THR 48 CO -0.15 0.84 -1.11 0.78 0.37 0.00 0.00 175.52 176.25 2k49 h ASN 49 N 0.11 0.00 -0.43 4.18 2.35 0.35 -3.37 115.58 118.77 2k49 h ASN 49 Ca -0.23 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.60 2k49 h ASN 49 Cb 2.08 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 40.37 2k49 h ASN 49 CO 0.22 0.94 -0.05 0.28 -1.65 0.00 0.00 177.43 177.17 2k49 h SER 50 N 0.00 -0.28 0.09 5.81 0.02 -0.63 0.18 113.55 118.73 2k49 h SER 50 Ca -0.07 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2k49 h SER 50 Cb 1.78 0.22 0.00 0.00 0.14 0.00 0.00 62.40 64.54 2k49 h SER 50 CO 0.11 -0.10 0.00 -0.81 -1.14 0.00 0.00 176.83 174.89 2k49 n PRO 51 N -5.26 0.33 -3.67 3.45 -0.04 -1.26 -4.00 135.00 124.56 2k49 n PRO 51 Ca 0.03 0.06 -0.38 0.00 -0.04 0.00 0.00 63.50 63.18 2k49 n PRO 51 Cb 0.23 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.10 2k49 n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k49 s ILE 52 N -2.21 3.94 0.56 0.52 1.01 0.62 -4.96 121.20 120.68 2k49 s ILE 52 Ca 0.17 -2.77 0.24 0.00 0.00 0.00 0.00 60.65 58.30 2k49 s ILE 52 Cb 0.09 -3.56 0.33 0.00 0.01 0.00 0.00 42.46 39.34 2k49 s ILE 52 CO 0.17 -0.88 2.15 1.05 0.00 0.00 0.00 174.94 177.43 2k49 h GLU 53 N 7.27 0.00 -0.00 2.79 4.11 -1.76 -1.31 114.58 125.68 2k49 h GLU 53 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2k49 h GLU 53 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2k49 h GLU 53 CO 0.73 0.00 0.03 0.00 0.07 0.00 0.00 179.01 179.84 2k49 h ALA 54 N 1.91 1.03 0.00 1.06 0.00 -1.93 -2.16 119.26 119.17 2k49 h ALA 54 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k49 h ALA 54 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2k49 h ALA 54 CO -0.00 -0.03 0.00 0.54 0.00 0.00 0.00 179.25 179.76 2k49 n ARG 55 N -3.06 0.05 -1.46 0.00 5.12 -0.50 -4.84 116.66 111.97 2k49 n ARG 55 Ca -0.03 0.25 -0.29 0.00 -1.93 0.00 0.00 57.85 55.85 2k49 n ARG 55 Cb 0.10 -1.59 0.19 0.00 -1.16 0.00 0.00 32.46 30.00 2k49 n ARG 55 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2k49 s TYR 56 N -3.07 1.56 -0.11 -1.55 -0.85 -0.82 -1.62 117.35 110.89 2k49 s TYR 56 Ca 0.07 0.60 -0.04 0.00 -0.52 0.00 0.00 57.07 57.19 2k49 s TYR 56 Cb 0.11 -3.60 0.05 0.00 0.38 0.00 0.00 41.96 38.90 2k49 s TYR 56 CO 0.34 -2.99 0.09 0.00 -1.52 0.00 0.00 175.55 171.47 2k49 s ALA 57 N -3.33 0.23 -0.20 9.51 0.00 0.25 -4.80 121.76 123.43 2k49 s ALA 57 Ca 0.69 0.03 -0.29 0.00 0.00 0.00 0.00 51.96 52.38 2k49 s ALA 57 Cb -0.10 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 2k49 s ALA 57 CO 0.54 -0.84 1.40 0.15 0.00 0.00 0.00 175.76 177.02 2k49 s LYS 58 N 2.18 4.05 -0.06 0.00 -0.14 -1.26 -1.22 119.74 123.28 2k49 s LYS 58 Ca 0.04 1.62 -0.03 0.00 -1.36 0.00 0.00 55.97 56.24 2k49 s LYS 58 Cb -0.14 -3.88 0.04 0.00 -1.68 0.00 0.00 37.83 32.17 2k49 s LYS 58 CO -0.06 -0.96 0.13 -1.21 -0.76 0.00 0.00 175.35 172.49 2k49 s GLU 59 N 4.00 0.06 -0.31 1.68 2.02 -0.98 -5.00 118.70 120.16 2k49 s GLU 59 Ca 0.61 0.39 -0.05 0.00 0.02 0.00 0.00 54.97 55.94 2k49 s GLU 59 Cb -0.22 -0.22 0.04 0.00 0.10 0.00 0.00 34.13 33.82 2k49 s GLU 59 CO 0.22 -0.20 0.05 0.08 0.02 0.00 0.00 175.26 175.43 2k49 s VAL 60 N 1.42 3.48 0.58 2.63 1.01 -1.26 -0.95 120.40 127.30 2k49 s VAL 60 Ca -0.06 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 60.59 2k49 s VAL 60 Cb -0.12 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2k49 s VAL 60 CO -0.05 -0.08 1.12 0.00 0.00 0.00 0.00 175.10 176.09 2k49 n ALA 61 N 4.75 0.67 0.26 5.51 0.00 0.49 -4.75 120.51 127.44 2k49 n ALA 61 Ca -0.13 0.06 0.16 0.00 0.00 0.00 0.00 53.44 53.53 2k49 n ALA 61 Cb 0.45 -2.20 0.83 0.00 0.00 0.00 0.00 19.45 18.53 2k49 n ALA 61 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k49 h LYS 62 N 0.84 0.00 0.00 0.00 1.63 -1.99 0.35 116.57 117.40 2k49 h LYS 62 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2k49 h LYS 62 Cb 1.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2k49 h LYS 62 CO 0.53 0.00 0.00 0.09 -3.45 0.00 0.00 179.45 176.62 2k49 n ASN 63 N -2.63 0.00 -2.81 4.20 3.02 -1.26 -4.89 115.26 110.89 2k49 n ASN 63 Ca -0.02 -1.44 -0.05 0.00 -0.03 0.00 0.00 54.58 53.04 2k49 n ASN 63 Cb 0.09 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 2k49 n ASN 63 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k49 n ASP 64 N -0.59 -6.24 -3.63 6.41 2.03 0.12 -5.06 116.55 109.60 2k49 n ASP 64 Ca 0.04 -0.27 -0.28 0.00 0.52 0.00 0.00 54.79 54.80 2k49 n ASP 64 Cb 0.02 -4.36 -0.16 0.00 -0.72 0.00 0.00 41.12 35.89 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k49 s LYS 65 N -3.47 0.27 -0.35 -0.67 1.02 -1.09 -4.93 119.74 110.52 2k49 s LYS 65 Ca 0.16 -0.37 -0.29 0.00 0.02 0.00 0.00 55.97 55.49 2k49 s LYS 65 Cb -0.02 -1.70 0.02 0.00 -0.52 0.00 0.00 37.83 35.60 2k49 s LYS 65 CO 0.59 -0.79 1.07 -1.25 -0.92 0.00 0.00 175.35 174.05 2k49 s PRO 66 N 2.03 4.00 0.25 -1.68 0.04 -1.23 -0.38 135.00 138.02 2k49 s PRO 66 Ca 0.04 0.95 0.03 0.00 0.04 0.00 0.00 61.00 62.06 2k49 s PRO 66 Cb -0.16 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.60 2k49 s PRO 66 CO -0.18 -0.97 0.27 2.48 0.04 0.00 0.00 177.00 178.63 2k49 n TYR 67 N 7.00 -0.83 -3.91 0.56 4.11 -0.13 -3.49 117.16 120.48 2k49 n TYR 67 Ca 0.12 -1.90 -0.11 0.00 -0.00 0.00 0.00 57.90 56.01 2k49 n TYR 67 Cb 0.47 0.29 -0.13 0.00 -0.00 0.00 0.00 39.34 39.98 2k49 n TYR 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 2k49 s PHE 68 N -3.18 0.09 0.24 -3.48 -0.71 -1.26 -2.32 117.98 107.35 2k49 s PHE 68 Ca 0.26 -0.18 0.07 0.00 -1.04 0.00 0.00 56.93 56.03 2k49 s PHE 68 Cb 0.01 -0.07 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2k49 s PHE 68 CO 0.18 -0.07 0.18 1.21 -1.34 0.00 0.00 175.22 175.38 2k49 s ASN 69 N -0.53 5.48 -0.13 1.98 3.84 -0.36 -1.80 114.94 123.41 2k49 s ASN 69 Ca -0.06 -0.25 0.02 0.00 0.21 0.00 0.00 52.86 52.78 2k49 s ASN 69 Cb -0.04 -1.38 0.01 0.00 -0.55 0.00 0.00 41.25 39.29 2k49 s ASN 69 CO -0.00 -0.02 -0.19 -0.22 -2.79 0.00 0.00 177.10 173.88 2k49 s LEU 70 N -3.72 1.94 0.16 3.21 2.96 0.10 0.85 118.68 124.18 2k49 s LEU 70 Ca 0.32 -0.53 0.11 0.00 -0.22 0.00 0.00 54.13 53.81 2k49 s LEU 70 Cb -0.08 -1.30 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2k49 s LEU 70 CO 0.24 0.04 -0.25 -0.54 -1.32 0.00 0.00 176.35 174.53 2k49 s LYS 71 N 0.95 1.48 0.71 1.98 1.02 -0.64 -1.58 119.74 123.66 2k49 s LYS 71 Ca -0.05 -1.44 0.00 0.00 0.02 0.00 0.00 55.97 54.50 2k49 s LYS 71 Cb -0.15 -1.88 0.12 0.00 -0.52 0.00 0.00 37.83 35.40 2k49 s LYS 71 CO -0.03 0.42 0.98 0.00 -0.92 0.00 0.00 175.35 175.80 2k49 s ALA 72 N -1.39 3.80 0.22 5.17 0.00 -0.52 -4.82 121.76 124.21 2k49 s ALA 72 Ca 0.18 -1.77 -0.09 0.00 0.00 0.00 0.00 51.96 50.27 2k49 s ALA 72 Cb -0.09 -1.95 0.32 0.00 0.00 0.00 0.00 23.12 21.40 2k49 s ALA 72 CO 0.08 -1.41 1.68 0.00 0.00 0.00 0.00 175.76 176.12 2k49 h ALA 73 N -0.46 0.71 0.00 0.00 0.00 -1.99 0.19 119.26 117.71 2k49 h ALA 73 Ca -0.36 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k49 h ALA 73 Cb 1.27 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2k49 h ALA 73 CO 0.40 -0.35 0.00 -1.71 0.00 0.00 0.00 179.25 177.59 2k49 n ASN 74 N -5.19 0.50 -0.22 0.00 5.15 -1.26 -4.79 115.26 109.45 2k49 n ASN 74 Ca 0.10 -1.54 -0.03 0.00 -0.60 0.00 0.00 54.58 52.51 2k49 n ASN 74 Cb 0.36 -0.25 -0.01 0.00 -0.53 0.00 0.00 39.78 39.35 2k49 n ASN 74 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2k49 n HIS 75 N -0.10 0.00 -2.71 1.20 8.25 0.67 -4.98 115.22 117.55 2k49 n HIS 75 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 2k49 n HIS 75 Cb 0.12 -1.21 -0.06 0.00 1.12 0.00 0.00 29.99 29.97 2k49 n HIS 75 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2k49 s GLN 76 N -1.48 4.25 -0.36 -0.41 -2.07 -1.25 -4.78 119.66 113.57 2k49 s GLN 76 Ca 0.00 1.30 -0.29 0.00 -1.82 0.00 0.00 55.36 54.56 2k49 s GLN 76 Cb 0.00 -2.43 0.01 0.00 -1.09 0.00 0.00 33.01 29.51 2k49 s GLN 76 CO 0.00 -0.03 1.22 0.42 -1.32 0.00 0.00 175.29 175.59 2k49 s ILE 77 N -1.87 4.21 -0.14 3.63 -1.09 -1.26 -1.44 121.20 123.23 2k49 s ILE 77 Ca 0.58 1.33 0.14 0.00 -2.23 0.00 0.00 60.65 60.47 2k49 s ILE 77 Cb -0.16 -4.33 -0.20 0.00 -1.58 0.00 0.00 42.46 36.19 2k49 s ILE 77 CO 0.20 -0.64 0.35 2.30 -1.23 0.00 0.00 174.94 175.92 2k49 n ILE 78 N 6.40 0.00 -3.54 2.92 -5.35 -0.61 -4.79 119.36 114.39 2k49 n ILE 78 Ca 0.14 -0.29 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 2k49 n ILE 78 Cb 0.47 0.35 -0.04 0.00 -1.74 0.00 0.00 39.64 38.68 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -3.33 -0.41 -0.03 3.28 0.00 -0.86 -4.41 107.32 101.56 2k49 s GLY 79 Ca -0.03 1.54 0.02 0.00 0.00 0.00 0.00 44.72 46.24 2k49 s GLY 79 CO 0.57 0.81 -0.06 -1.59 0.00 0.00 0.00 173.10 172.83 2k49 s THR 80 N -1.72 0.59 0.50 0.90 2.01 0.69 0.01 115.64 118.62 2k49 s THR 80 Ca -0.02 -0.20 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 2k49 s THR 80 Cb -0.00 -0.57 0.11 0.00 0.01 0.00 0.00 72.50 72.04 2k49 s THR 80 CO 0.01 0.22 0.68 -0.24 -0.69 0.00 0.00 174.62 174.60 2k49 n SER 81 N 3.70 0.22 -4.76 3.53 2.88 -0.75 -0.40 113.62 118.04 2k49 n SER 81 Ca -0.22 -1.35 -0.30 0.00 -1.33 0.00 0.00 58.87 55.67 2k49 n SER 81 Cb 0.53 -0.51 0.12 0.00 -0.75 0.00 0.00 64.21 63.60 2k49 n SER 81 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2k49 s GLN 82 N -4.42 1.52 -1.08 -1.46 -0.21 -1.24 -4.84 119.66 107.95 2k49 s GLN 82 Ca 0.40 0.68 -0.20 0.00 0.02 0.00 0.00 55.36 56.26 2k49 s GLN 82 Cb -0.01 -1.85 0.09 0.00 1.00 0.00 0.00 33.01 32.24 2k49 s GLN 82 CO 0.28 -2.02 1.41 0.00 -2.12 0.00 0.00 175.29 172.84 2k49 s MET 83 N -5.06 3.74 0.42 2.91 0.23 -1.26 -4.68 119.30 115.61 2k49 s MET 83 Ca 0.62 -1.68 -0.24 0.00 -1.03 0.00 0.00 55.69 53.37 2k49 s MET 83 Cb -0.16 -5.23 -0.08 0.00 -1.53 0.00 0.00 34.83 27.82 2k49 s MET 83 CO 0.56 -2.03 1.09 0.71 -2.03 0.00 0.00 175.02 173.31 2k49 s TYR 84 N 3.71 3.13 -1.16 3.16 2.02 -1.23 -4.95 117.35 122.03 2k49 s TYR 84 Ca 0.43 1.61 0.26 0.00 -0.37 0.00 0.00 57.07 59.00 2k49 s TYR 84 Cb -0.01 -3.21 0.63 0.00 -0.40 0.00 0.00 41.96 38.97 2k49 s TYR 84 CO -0.05 -0.92 1.50 0.43 -1.57 0.00 0.00 175.55 174.94 2k49 n SER 85 N -0.22 0.56 -3.96 2.29 7.64 -1.26 -3.56 113.62 115.10 2k49 n SER 85 Ca 0.06 -0.32 -0.09 0.00 1.01 0.00 0.00 58.87 59.52 2k49 n SER 85 Cb 0.49 0.17 -0.11 0.00 -1.01 0.00 0.00 64.21 63.75 2k49 n SER 85 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2k49 s SER 86 N -2.89 0.20 0.17 6.43 1.04 -1.26 -4.90 113.70 112.49 2k49 s SER 86 Ca 0.14 -0.44 -0.10 0.00 0.48 0.00 0.00 55.95 56.03 2k49 s SER 86 Cb 0.18 0.12 0.04 0.00 0.10 0.00 0.00 66.02 66.46 2k49 s SER 86 CO 0.65 -0.31 1.60 0.71 0.98 0.00 0.00 173.24 176.87 2k49 h THR 87 N 4.59 1.27 -0.15 2.02 1.35 -1.91 -2.85 112.91 117.22 2k49 h THR 87 Ca -0.32 -1.24 0.03 0.00 -0.55 0.00 0.00 66.41 64.34 2k49 h THR 87 Cb 1.21 0.93 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 2k49 h THR 87 CO 0.41 0.44 -0.04 0.00 -0.25 0.00 0.00 175.52 176.08 2k49 h ALA 88 N 0.94 0.10 -0.88 6.62 0.00 -1.97 -2.23 119.26 121.83 2k49 h ALA 88 Ca 0.15 0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.18 2k49 h ALA 88 Cb 0.65 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 2k49 h ALA 88 CO 0.04 -0.48 0.57 0.00 0.00 0.00 0.00 179.25 179.38 2k49 h ALA 89 N 1.15 1.53 0.20 0.00 0.00 -1.97 -0.41 119.26 119.76 2k49 h ALA 89 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k49 h ALA 89 Cb 0.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2k49 h ALA 89 CO -0.16 0.34 -0.30 -0.09 0.00 0.00 0.00 179.25 179.03 2k49 h ARG 90 N 1.00 -0.55 0.00 0.00 2.43 -1.18 0.10 114.38 116.18 2k49 h ARG 90 Ca 0.38 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.50 2k49 h ARG 90 Cb 0.19 0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.85 2k49 h ARG 90 CO -0.14 -0.37 -0.38 -0.44 -1.51 0.00 0.00 179.97 177.13 2k49 h ASP 91 N -0.58 0.00 0.46 -3.80 3.32 -1.00 -0.87 116.42 113.95 2k49 h ASP 91 Ca 0.01 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.97 2k49 h ASP 91 Cb 0.57 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2k49 h ASP 91 CO -0.13 0.38 -0.43 0.78 -1.72 0.00 0.00 179.24 178.13 2k49 h ASN 92 N 0.00 0.00 -0.39 6.45 2.35 -0.84 -2.12 115.58 121.03 2k49 h ASN 92 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 2k49 h ASN 92 Cb 0.73 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.08 2k49 h ASN 92 CO 0.05 0.43 -0.02 1.23 -1.65 0.00 0.00 177.43 177.47 2k49 h GLY 93 N 1.34 0.85 0.98 2.83 0.00 0.57 -2.23 103.07 107.41 2k49 h GLY 93 Ca -0.00 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2k49 h GLY 93 CO 0.06 0.53 0.24 -2.22 0.00 0.00 0.00 176.54 175.15 2k49 h ILE 94 N 0.73 1.13 -0.71 2.60 2.04 -0.72 -1.28 117.51 121.30 2k49 h ILE 94 Ca 0.14 -0.30 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2k49 h ILE 94 Cb 0.47 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 2k49 h ILE 94 CO 0.02 0.13 0.31 0.07 0.00 0.00 0.00 178.15 178.69 2k49 h LYS 95 N 0.53 1.03 -0.65 2.37 2.10 -1.37 -2.17 116.57 118.40 2k49 h LYS 95 Ca 0.14 -0.16 0.04 0.00 -2.00 0.00 0.00 60.65 58.68 2k49 h LYS 95 Cb 0.00 -0.18 -0.05 0.00 -0.90 0.00 0.00 32.23 31.10 2k49 h LYS 95 CO -0.03 0.82 0.38 0.77 -2.00 0.00 0.00 179.45 179.39 2k49 h SER 96 N 1.02 0.60 0.05 7.07 0.02 -0.83 -2.09 113.55 119.38 2k49 h SER 96 Ca 0.24 0.02 -0.23 0.00 -0.84 0.00 0.00 61.79 60.98 2k49 h SER 96 Cb 0.15 -0.11 0.01 0.00 0.14 0.00 0.00 62.40 62.59 2k49 h SER 96 CO -0.03 0.40 -0.89 1.62 -1.14 0.00 0.00 176.83 176.80 2k49 h VAL 97 N 0.73 1.31 0.00 2.27 3.04 -1.02 0.04 116.25 122.62 2k49 h VAL 97 Ca 0.28 -2.17 -0.04 0.00 -1.01 0.00 0.00 66.70 63.75 2k49 h VAL 97 Cb 0.10 2.21 -0.01 0.00 -2.01 0.00 0.00 31.29 31.58 2k49 h VAL 97 CO -0.14 0.67 -0.21 0.00 -1.01 0.00 0.00 177.57 176.88 2k49 h MET 98 N 0.40 0.00 0.00 4.17 -0.00 -1.26 0.53 114.93 118.77 2k49 h MET 98 Ca -0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.60 2k49 h MET 98 Cb 1.52 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.12 2k49 h MET 98 CO 0.17 0.21 -0.15 0.93 -0.00 0.00 0.00 176.91 178.07 2k49 h GLU 99 N 0.00 0.00 0.00 -0.10 5.08 -1.34 -3.39 114.58 114.84 2k49 h GLU 99 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k49 h GLU 99 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k49 h GLU 99 CO 0.03 0.35 -0.05 -0.91 -1.00 0.00 0.00 179.01 177.43 2k49 h ASN 100 N -1.00 0.00 0.73 1.42 2.35 -0.95 -3.29 115.58 114.84 2k49 h ASN 100 Ca -0.02 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.72 2k49 h ASN 100 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2k49 h ASN 100 CO -0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 2k49 n GLY 101 N 1.21 -1.34 0.41 2.83 0.00 0.18 -3.24 105.19 105.24 2k49 n GLY 101 Ca 0.05 -0.12 0.04 0.00 0.00 0.00 0.00 46.02 45.99 2k49 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k49 n LYS 102 N -1.38 1.51 -2.68 1.61 5.02 -1.24 -4.13 118.16 116.87 2k49 n LYS 102 Ca 0.11 -0.80 -0.40 0.00 -2.02 0.00 0.00 58.31 55.20 2k49 n LYS 102 Cb 0.27 -1.19 -0.06 0.00 -0.02 0.00 0.00 35.03 34.04 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k49 s THR 103 N -1.71 3.94 -1.99 -0.18 -1.32 -1.20 -4.96 115.64 108.21 2k49 s THR 103 Ca 0.16 1.91 0.27 0.00 -1.21 0.00 0.00 61.69 62.82 2k49 s THR 103 Cb 0.08 -4.20 0.34 0.00 -1.51 0.00 0.00 72.50 67.21 2k49 s THR 103 CO 0.11 0.43 1.60 0.35 -2.21 0.00 0.00 174.62 174.91 2k49 n THR 104 N 1.32 0.00 -2.10 5.08 -2.24 -1.26 -4.84 114.28 110.23 2k49 n THR 104 Ca -0.01 -0.17 -0.38 0.00 -2.27 0.00 0.00 64.05 61.22 2k49 n THR 104 Cb 0.47 0.46 -0.03 0.00 -2.10 0.00 0.00 70.33 69.12 2k49 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k49 s THR 105 N -2.35 3.41 -0.43 4.28 2.01 -1.26 -4.95 115.64 116.35 2k49 s THR 105 Ca 0.28 0.16 -0.09 0.00 0.31 0.00 0.00 61.69 62.35 2k49 s THR 105 Cb 0.20 -4.06 0.09 0.00 0.01 0.00 0.00 72.50 68.74 2k49 s THR 105 CO 0.46 -1.02 0.27 -0.63 -0.69 0.00 0.00 174.62 173.01 2k49 s ILE 106 N 8.79 4.16 -0.14 1.82 1.01 -1.26 -1.53 121.20 134.05 2k49 s ILE 106 Ca 0.64 -1.52 -0.17 0.00 0.00 0.00 0.00 60.65 59.60 2k49 s ILE 106 Cb -0.11 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2k49 s ILE 106 CO 0.18 -0.57 0.41 -0.54 0.00 0.00 0.00 174.94 174.42 2k49 s LYS 107 N 1.39 4.30 0.01 2.79 1.02 0.15 -5.00 119.74 124.40 2k49 s LYS 107 Ca 0.04 0.31 -0.16 0.00 0.02 0.00 0.00 55.97 56.18 2k49 s LYS 107 Cb -0.24 -3.44 -0.06 0.00 -0.52 0.00 0.00 37.83 33.57 2k49 s LYS 107 CO 0.01 0.16 0.45 0.34 -0.92 0.00 0.00 175.35 175.40 2k49 s ASP 108 N 0.62 6.86 0.00 2.83 2.15 -1.26 -1.19 116.67 126.68 2k49 s ASP 108 Ca 0.22 1.03 0.00 0.00 0.43 0.00 0.00 52.55 54.23 2k49 s ASP 108 Cb -0.14 -2.28 0.00 0.00 -0.30 0.00 0.00 42.92 40.20 2k49 s ASP 108 CO 0.08 0.29 0.33 0.18 -0.17 0.00 0.00 175.17 175.88 2k49 n LEU 109 N 1.95 0.66 0.03 -1.34 4.77 0.88 -4.47 117.00 119.49 2k49 n LEU 109 Ca -0.12 -0.72 -0.21 0.00 -0.03 0.00 0.00 56.01 54.92 2k49 n LEU 109 Cb 0.52 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.47 2k49 n LEU 109 CO 0.39 0.17 -0.26 0.71 -1.33 0.00 0.00 177.39 177.06 2k49 h THR 110 N 0.18 1.20 0.06 -5.08 1.35 -1.89 -3.39 112.91 105.34 2k49 h THR 110 Ca 0.00 -2.47 -0.23 0.00 -0.55 0.00 0.00 66.41 63.16 2k49 h THR 110 Cb 0.09 2.90 -0.01 0.00 -1.73 0.00 0.00 68.15 69.40 2k49 h THR 110 CO 0.00 0.72 -1.22 -0.07 -0.25 0.00 0.00 175.52 174.70 2k49 h LEU 111 N -0.28 0.20 -7.95 3.87 3.38 -1.91 -3.47 115.31 109.15 2k49 h LEU 111 Ca -0.25 -0.76 -0.47 0.00 0.09 0.00 0.00 57.88 56.48 2k49 h LEU 111 Cb 1.77 -0.07 -0.33 0.00 0.09 0.00 0.00 40.66 42.12 2k49 h LEU 111 CO 0.11 1.51 -0.80 -1.61 0.09 0.00 0.00 178.44 177.74 2k49 s GLU 112 N -2.41 1.34 -0.35 1.13 2.02 -1.26 -5.11 118.70 114.06 2k49 s GLU 112 Ca -0.23 -0.34 -0.00 0.00 0.02 0.00 0.00 54.97 54.41 2k49 s GLU 112 Cb 0.04 -1.17 0.12 0.00 0.10 0.00 0.00 34.13 33.22 2k49 s GLU 112 CO 0.70 0.05 0.18 -3.38 0.02 0.00 0.00 175.26 172.82 2k49 s HIS 113 N 0.53 1.16 0.13 1.61 -3.43 -1.26 -3.41 115.29 110.63 2k49 s HIS 113 Ca -0.10 -1.69 -0.30 0.00 -0.80 0.00 0.00 55.06 52.16 2k49 s HIS 113 Cb -0.13 -1.32 -0.07 0.00 -1.43 0.00 0.00 32.58 29.63 2k49 s HIS 113 CO 0.02 -0.83 1.10 -1.58 -2.00 0.00 0.00 174.74 171.45 2k49 s HIS 114 N 1.22 3.58 0.03 0.38 2.46 -1.26 -5.05 115.29 116.65 2k49 s HIS 114 Ca 0.14 1.56 -0.04 0.00 0.47 0.00 0.00 55.06 57.19 2k49 s HIS 114 Cb -0.21 -3.28 -0.04 0.00 -0.13 0.00 0.00 32.58 28.92 2k49 s HIS 114 CO -0.12 -0.65 0.24 -1.01 -2.47 0.00 0.00 174.74 170.73 2k49 s HIS 115 N 0.15 3.54 -0.05 3.88 3.76 -1.26 -5.11 115.29 120.21 2k49 s HIS 115 Ca 0.51 0.44 0.03 0.00 -0.15 0.00 0.00 55.06 55.89 2k49 s HIS 115 Cb -0.28 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.48 2k49 s HIS 115 CO 0.33 0.59 -0.11 -1.01 -0.85 0.00 0.00 174.74 173.69 2k49 s HIS 116 N -1.40 2.79 -0.06 1.40 3.76 -1.26 -5.13 115.29 115.40 2k49 s HIS 116 Ca 0.31 -0.09 -0.06 0.00 -0.15 0.00 0.00 55.06 55.07 2k49 s HIS 116 Cb -0.13 -1.65 0.02 0.00 1.11 0.00 0.00 32.58 31.92 2k49 s HIS 116 CO 0.20 0.25 0.17 -3.38 -0.85 0.00 0.00 174.74 171.14 2k49 s HIS 117 N -0.78 -0.17 0.00 1.40 -3.43 -1.26 -5.37 115.29 105.68 2k49 s HIS 117 Ca 0.12 0.42 0.00 0.00 -0.80 0.00 0.00 55.06 54.80 2k49 s HIS 117 Cb -0.11 0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.10 2k49 s HIS 117 CO 0.01 -0.11 0.00 -2.39 -2.00 0.00 0.00 174.74 170.25