#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k49 n SER 2 N 0.00 0.19 0.00 7.83 2.88 -1.26 -4.59 113.62 118.66 2k49 n SER 2 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k49 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k49 n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k49 n GLY 3 N 1.88 2.36 3.71 0.46 0.00 -1.26 -1.64 105.19 110.71 2k49 n GLY 3 Ca 0.00 -0.77 -0.04 0.00 0.00 0.00 0.00 46.02 45.20 2k49 n GLY 3 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k49 s TRP 4 N -2.00 -0.17 -0.12 1.61 -2.14 -0.59 -4.70 118.94 110.83 2k49 s TRP 4 Ca 0.00 -0.11 -0.01 0.00 2.66 0.00 0.00 56.10 58.64 2k49 s TRP 4 Cb 0.00 0.62 -0.02 0.00 -3.10 0.00 0.00 33.47 30.97 2k49 s TRP 4 CO 0.00 -0.78 -0.08 0.71 -2.66 0.00 0.00 176.95 174.14 2k49 s TYR 5 N -3.26 2.91 -0.25 1.66 1.51 -0.31 -0.88 117.35 118.74 2k49 s TYR 5 Ca 0.11 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 2k49 s TYR 5 Cb -0.01 -1.84 0.02 0.00 -0.11 0.00 0.00 41.96 40.01 2k49 s TYR 5 CO 0.00 -0.01 -0.05 -1.21 -1.11 0.00 0.00 175.55 173.17 2k49 s GLU 6 N 0.04 2.90 -0.22 -0.62 2.02 -0.03 0.35 118.70 123.14 2k49 s GLU 6 Ca -0.02 -0.94 -0.11 0.00 0.02 0.00 0.00 54.97 53.92 2k49 s GLU 6 Cb -0.14 -3.00 -0.05 0.00 0.10 0.00 0.00 34.13 31.04 2k49 s GLU 6 CO 0.03 -0.38 0.20 -1.17 0.02 0.00 0.00 175.26 173.96 2k49 s LEU 7 N 1.35 4.15 0.15 1.80 2.96 0.32 -0.70 118.68 128.71 2k49 s LEU 7 Ca 0.01 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 2k49 s LEU 7 Cb -0.16 -2.19 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2k49 s LEU 7 CO -0.04 0.07 -0.14 -0.94 -1.32 0.00 0.00 176.35 173.98 2k49 s SER 8 N 0.85 2.19 -0.19 3.68 1.04 -0.77 -0.46 113.70 120.04 2k49 s SER 8 Ca 0.10 -0.88 -0.05 0.00 0.48 0.00 0.00 55.95 55.60 2k49 s SER 8 Cb -0.13 -0.09 -0.02 0.00 0.10 0.00 0.00 66.02 65.88 2k49 s SER 8 CO 0.04 -0.15 -0.01 -0.75 0.98 0.00 0.00 173.24 173.34 2k49 s LYS 9 N -3.00 3.59 0.75 4.02 2.20 -1.26 -1.21 119.74 124.83 2k49 s LYS 9 Ca 0.13 -0.54 -0.11 0.00 -0.36 0.00 0.00 55.97 55.10 2k49 s LYS 9 Cb -0.03 -3.03 0.04 0.00 -1.51 0.00 0.00 37.83 33.30 2k49 s LYS 9 CO 0.04 0.03 1.08 0.45 -0.36 0.00 0.00 175.35 176.58 2k49 s SER 10 N 0.95 4.82 0.64 1.43 0.15 0.59 -4.91 113.70 117.37 2k49 s SER 10 Ca 0.01 1.62 0.40 0.00 0.70 0.00 0.00 55.95 58.68 2k49 s SER 10 Cb -0.14 -2.41 2.21 0.00 -1.71 0.00 0.00 66.02 63.97 2k49 s SER 10 CO 0.02 -1.80 2.32 0.77 1.20 0.00 0.00 173.24 175.74 2k49 h SER 11 N -0.97 0.00 0.00 5.45 4.64 -2.00 -0.35 113.55 120.32 2k49 h SER 11 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 2k49 h SER 11 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2k49 h SER 11 CO 0.55 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 177.11 2k49 n ASN 12 N -3.29 0.31 -2.01 4.97 4.13 -1.26 -4.84 115.26 113.27 2k49 n ASN 12 Ca -0.03 -1.75 -0.18 0.00 1.68 0.00 0.00 54.58 54.30 2k49 n ASN 12 Cb 0.09 -0.16 -0.01 0.00 -1.54 0.00 0.00 39.78 38.16 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2k49 n ASP 13 N -0.30 -5.26 -4.34 6.41 8.00 -0.14 -5.00 116.55 115.91 2k49 n ASP 13 Ca 0.00 0.02 -0.32 0.00 0.71 0.00 0.00 54.79 55.19 2k49 n ASP 13 Cb 0.08 -4.33 -0.15 0.00 -0.02 0.00 0.00 41.12 36.69 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k49 s GLN 14 N -4.80 2.90 -0.06 -1.24 -0.21 -1.23 -4.77 119.66 110.24 2k49 s GLN 14 Ca 0.00 -0.78 -0.15 0.00 0.02 0.00 0.00 55.36 54.45 2k49 s GLN 14 Cb 0.00 -2.39 -0.05 0.00 1.00 0.00 0.00 33.01 31.57 2k49 s GLN 14 CO 0.00 0.35 0.38 -0.06 -2.12 0.00 0.00 175.29 173.84 2k49 s PHE 15 N -0.05 3.62 -0.08 0.91 0.40 0.17 -0.30 117.98 122.65 2k49 s PHE 15 Ca -0.05 0.86 -0.05 0.00 -0.60 0.00 0.00 56.93 57.09 2k49 s PHE 15 Cb -0.14 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 41.09 2k49 s PHE 15 CO 0.04 0.47 0.20 -1.59 0.70 0.00 0.00 175.22 175.05 2k49 s LYS 16 N -0.42 0.18 0.18 0.44 0.00 -0.35 -0.29 119.74 119.49 2k49 s LYS 16 Ca 0.22 0.40 0.06 0.00 0.00 0.00 0.00 55.97 56.65 2k49 s LYS 16 Cb -0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 37.83 37.58 2k49 s LYS 16 CO 0.10 -0.12 0.07 -0.59 0.00 0.00 0.00 175.35 174.82 2k49 s PHE 17 N 0.84 2.99 0.02 1.78 -0.71 -1.26 -1.85 117.98 119.79 2k49 s PHE 17 Ca -0.06 -0.08 0.08 0.00 -1.04 0.00 0.00 56.93 55.83 2k49 s PHE 17 Cb -0.08 -1.43 -0.02 0.00 -1.21 0.00 0.00 43.02 40.28 2k49 s PHE 17 CO -0.05 0.52 -0.25 0.14 -1.34 0.00 0.00 175.22 174.25 2k49 s VAL 18 N -1.79 1.98 -0.29 -2.49 -7.23 0.12 -0.33 120.40 110.37 2k49 s VAL 18 Ca 0.30 -1.22 -0.11 0.00 -1.81 0.00 0.00 61.98 59.14 2k49 s VAL 18 Cb -0.09 -1.67 -0.04 0.00 0.56 0.00 0.00 36.38 35.13 2k49 s VAL 18 CO 0.21 0.42 0.19 -0.22 -0.31 0.00 0.00 175.10 175.39 2k49 s LEU 19 N -0.95 4.05 0.08 1.32 2.96 -0.25 -0.85 118.68 125.04 2k49 s LEU 19 Ca 0.10 -0.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.98 2k49 s LEU 19 Cb -0.10 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.45 2k49 s LEU 19 CO 0.01 -0.08 -0.07 -0.54 -1.32 0.00 0.00 176.35 174.35 2k49 s LYS 20 N 1.74 2.33 1.10 1.98 1.02 -0.06 -1.00 119.74 126.86 2k49 s LYS 20 Ca 0.07 -0.91 -0.18 0.00 0.02 0.00 0.00 55.97 54.97 2k49 s LYS 20 Cb -0.16 -2.41 0.26 0.00 -0.52 0.00 0.00 37.83 35.00 2k49 s LYS 20 CO 0.10 0.54 1.24 0.00 -0.92 0.00 0.00 175.35 176.31 2k49 s ALA 21 N -1.19 1.42 0.54 5.17 0.00 0.16 -1.54 121.76 126.31 2k49 s ALA 21 Ca 0.21 -1.17 0.22 0.00 0.00 0.00 0.00 51.96 51.22 2k49 s ALA 21 Cb -0.11 -2.79 1.39 0.00 0.00 0.00 0.00 23.12 21.60 2k49 s ALA 21 CO 0.13 -3.10 2.10 0.78 0.00 0.00 0.00 175.76 175.67 2k49 h GLY 22 N -2.18 0.00 0.92 0.00 0.00 -1.56 0.51 103.07 100.76 2k49 h GLY 22 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2k49 h GLY 22 CO 0.32 0.00 -0.36 1.16 0.00 0.00 0.00 176.54 177.66 2k49 n ASN 23 N -4.36 0.56 0.00 0.19 0.23 -1.26 -4.39 115.26 106.23 2k49 n ASN 23 Ca 0.02 -0.34 0.00 0.00 -0.53 0.00 0.00 54.58 53.73 2k49 n ASN 23 Cb 0.30 0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2k49 n GLY 24 N 1.45 0.57 3.55 4.83 0.00 0.17 -5.05 105.19 110.70 2k49 n GLY 24 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2k49 n GLY 24 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k49 n GLU 25 N -1.51 1.49 -2.21 1.61 2.13 -1.26 -4.53 120.64 116.36 2k49 n GLU 25 Ca 0.00 0.33 -0.41 0.00 0.66 0.00 0.00 57.16 57.75 2k49 n GLU 25 Cb 0.00 -3.07 -0.03 0.00 0.27 0.00 0.00 31.44 28.61 2k49 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2k49 s VAL 26 N 9.10 3.60 -0.11 6.31 1.01 -1.26 -0.66 120.40 138.39 2k49 s VAL 26 Ca 1.03 0.50 0.03 0.00 0.00 0.00 0.00 61.98 63.54 2k49 s VAL 26 Cb -0.44 -4.14 -0.24 0.00 0.00 0.00 0.00 36.38 31.56 2k49 s VAL 26 CO 0.36 -0.95 0.40 2.30 0.00 0.00 0.00 175.10 177.22 2k49 n ILE 27 N 7.07 1.66 -4.31 2.22 -5.35 -0.17 -4.85 119.36 115.63 2k49 n ILE 27 Ca 0.17 -0.72 -0.22 0.00 -0.27 0.00 0.00 62.75 61.71 2k49 n ILE 27 Cb 0.50 -1.35 -0.12 0.00 -1.74 0.00 0.00 39.64 36.93 2k49 n ILE 27 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k49 s LEU 28 N -6.52 2.39 -0.07 7.28 2.01 -1.12 -4.08 118.68 118.56 2k49 s LEU 28 Ca -0.16 -0.80 -0.03 0.00 0.01 0.00 0.00 54.13 53.16 2k49 s LEU 28 Cb 0.07 -0.83 0.04 0.00 0.01 0.00 0.00 46.19 45.49 2k49 s LEU 28 CO 0.78 -0.01 0.14 -0.89 1.01 0.00 0.00 176.35 177.38 2k49 s THR 29 N -1.74 -0.19 0.65 5.49 2.01 0.15 -1.09 115.64 120.92 2k49 s THR 29 Ca 0.12 0.33 -0.06 0.00 0.31 0.00 0.00 61.69 62.38 2k49 s THR 29 Cb -0.07 -0.26 0.03 0.00 0.01 0.00 0.00 72.50 72.22 2k49 s THR 29 CO 0.06 0.14 0.96 -0.55 -0.69 0.00 0.00 174.62 174.53 2k49 s SER 30 N 2.02 5.20 0.49 3.53 0.15 0.55 -0.35 113.70 125.29 2k49 s SER 30 Ca 0.01 0.60 0.01 0.00 0.70 0.00 0.00 55.95 57.26 2k49 s SER 30 Cb -0.12 -1.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.79 2k49 s SER 30 CO -0.05 -1.34 0.71 -0.70 1.20 0.00 0.00 173.24 173.06 2k49 s GLU 31 N -5.13 2.83 -0.15 5.44 2.12 -1.26 -4.61 118.70 117.94 2k49 s GLU 31 Ca 0.57 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 2k49 s GLU 31 Cb -0.11 -2.53 -0.05 0.00 0.26 0.00 0.00 34.13 31.70 2k49 s GLU 31 CO 0.45 -0.46 1.83 -0.51 -0.54 0.00 0.00 175.26 176.03 2k49 s LEU 32 N -4.64 3.94 0.11 2.70 1.43 -1.26 -4.58 118.68 116.37 2k49 s LEU 32 Ca 0.52 1.95 -0.06 0.00 -1.03 0.00 0.00 54.13 55.52 2k49 s LEU 32 Cb -0.10 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.54 2k49 s LEU 32 CO 0.38 -1.35 0.35 -0.31 0.23 0.00 0.00 176.35 175.65 2k49 s TYR 33 N 5.67 3.51 -1.89 0.29 1.51 0.60 -4.89 117.35 122.14 2k49 s TYR 33 Ca 0.82 0.58 0.27 0.00 -1.01 0.00 0.00 57.07 57.73 2k49 s TYR 33 Cb -0.31 -2.02 0.94 0.00 -0.11 0.00 0.00 41.96 40.47 2k49 s TYR 33 CO 0.33 0.49 1.68 0.25 -1.11 0.00 0.00 175.55 177.19 2k49 n THR 34 N 0.40 0.00 -4.00 -0.71 -2.24 -1.26 0.45 114.28 106.92 2k49 n THR 34 Ca -0.05 -0.14 -0.13 0.00 -2.27 0.00 0.00 64.05 61.46 2k49 n THR 34 Cb 0.52 0.29 -0.14 0.00 -2.10 0.00 0.00 70.33 68.90 2k49 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k49 s GLY 35 N -2.38 0.13 0.13 3.38 0.00 -1.26 -4.85 107.32 102.46 2k49 s GLY 35 Ca 0.29 -0.15 -0.17 0.00 0.00 0.00 0.00 44.72 44.69 2k49 s GLY 35 CO 0.47 -0.13 1.69 1.70 0.00 0.00 0.00 173.10 176.83 2k49 h LYS 36 N 5.97 0.51 -0.16 2.90 3.64 -1.95 -0.48 116.57 126.99 2k49 h LYS 36 Ca -0.26 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 58.94 2k49 h LYS 36 Cb 1.20 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 2k49 h LYS 36 CO 0.50 0.47 -0.34 0.77 -2.27 0.00 0.00 179.45 178.58 2k49 h SER 37 N 0.42 0.33 -0.63 4.20 0.02 -1.99 -0.88 113.55 115.02 2k49 h SER 37 Ca 0.12 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2k49 h SER 37 Cb 0.14 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2k49 h SER 37 CO -0.01 0.66 0.26 1.23 -1.14 0.00 0.00 176.83 177.83 2k49 h GLY 38 N 1.11 1.01 0.97 -3.77 0.00 -1.91 0.29 103.07 100.76 2k49 h GLY 38 Ca 0.03 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.82 2k49 h GLY 38 CO 0.06 0.51 0.17 0.00 0.00 0.00 0.00 176.54 177.27 2k49 h ALA 39 N 1.11 0.36 -0.73 3.60 0.00 -0.64 -1.43 119.26 121.52 2k49 h ALA 39 Ca 0.21 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k49 h ALA 39 Cb 0.19 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2k49 h ALA 39 CO -0.02 -0.14 0.48 0.52 0.00 0.00 0.00 179.25 180.09 2k49 h MET 40 N 0.35 0.96 -0.90 0.00 2.86 -1.03 -1.24 114.93 115.94 2k49 h MET 40 Ca 0.10 -0.06 0.13 0.00 -2.06 0.00 0.00 59.70 57.81 2k49 h MET 40 Cb 0.02 -0.21 -0.09 0.00 0.06 0.00 0.00 31.60 31.38 2k49 h MET 40 CO -0.02 0.65 0.51 -0.97 1.06 0.00 0.00 176.91 178.14 2k49 h ASN 41 N 0.99 0.69 -0.92 1.22 -1.24 -0.68 0.13 115.58 115.78 2k49 h ASN 41 Ca 0.27 0.07 0.02 0.00 0.71 0.00 0.00 56.30 57.36 2k49 h ASN 41 Cb -0.10 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 38.84 2k49 h ASN 41 CO -0.06 0.34 0.61 1.23 -1.29 0.00 0.00 177.43 178.26 2k49 h GLY 42 N 0.78 1.31 0.83 1.57 0.00 -0.15 -0.93 103.07 106.47 2k49 h GLY 42 Ca 0.46 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 2k49 h GLY 42 CO -0.31 0.44 -0.02 -2.22 0.00 0.00 0.00 176.54 174.44 2k49 h ILE 43 N 1.21 1.09 -0.55 2.60 2.04 0.17 0.19 117.51 124.26 2k49 h ILE 43 Ca 0.35 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.88 2k49 h ILE 43 Cb -0.08 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2k49 h ILE 43 CO -0.09 0.10 0.37 -0.33 0.00 0.00 0.00 178.15 178.20 2k49 h GLU 44 N -0.22 0.44 -0.39 2.37 4.39 -0.98 -1.08 114.58 119.11 2k49 h GLU 44 Ca -0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2k49 h GLU 44 Cb 0.20 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2k49 h GLU 44 CO 0.01 0.29 -0.05 0.77 -1.16 0.00 0.00 179.01 178.87 2k49 h SER 45 N 0.45 0.71 -0.28 1.42 0.02 -0.69 -1.99 113.55 113.19 2k49 h SER 45 Ca 0.24 -0.34 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 2k49 h SER 45 Cb 0.37 -0.19 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2k49 h SER 45 CO -0.07 0.88 0.11 0.58 -1.14 0.00 0.00 176.83 177.20 2k49 h VAL 46 N 0.53 0.95 -0.94 2.27 2.07 0.20 0.20 116.25 121.54 2k49 h VAL 46 Ca 0.10 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.60 2k49 h VAL 46 Cb 0.55 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.94 2k49 h VAL 46 CO 0.03 0.04 0.60 1.56 0.02 0.00 0.00 177.57 179.82 2k49 h GLN 47 N 0.25 1.06 -0.12 1.57 4.20 -1.20 0.19 115.11 121.06 2k49 h GLN 47 Ca 0.12 -0.06 -0.22 0.00 0.06 0.00 0.00 58.65 58.55 2k49 h GLN 47 Cb 0.07 -0.24 0.01 0.00 0.30 0.00 0.00 27.48 27.62 2k49 h GLN 47 CO -0.11 0.70 -0.79 1.15 -0.67 0.00 0.00 178.83 179.11 2k49 h THR 48 N 1.09 1.31 0.00 -0.54 2.02 -0.85 -3.32 112.91 112.62 2k49 h THR 48 Ca 0.40 -2.05 -0.22 0.00 0.77 0.00 0.00 66.41 65.31 2k49 h THR 48 Cb 0.15 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 2k49 h THR 48 CO -0.17 0.64 -1.09 0.78 0.37 0.00 0.00 175.52 176.05 2k49 h ASN 49 N 0.45 0.00 -0.75 4.18 2.35 -0.34 -3.38 115.58 118.09 2k49 h ASN 49 Ca -0.05 0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.84 2k49 h ASN 49 Cb 1.41 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.64 2k49 h ASN 49 CO 0.16 0.96 -0.21 -1.28 -1.65 0.00 0.00 177.43 175.41 2k49 h SER 50 N 0.00 -0.77 0.51 5.81 0.87 -0.72 0.35 113.55 119.59 2k49 h SER 50 Ca -0.06 0.23 -0.04 0.00 -1.23 0.00 0.00 61.79 60.69 2k49 h SER 50 Cb 1.78 0.49 -0.01 0.00 -0.44 0.00 0.00 62.40 64.23 2k49 h SER 50 CO 0.12 -0.26 -0.20 1.55 -0.53 0.00 0.00 176.83 177.51 2k49 h PRO 51 N -0.02 0.00 -5.04 2.24 0.13 -1.77 -3.40 132.00 124.14 2k49 h PRO 51 Ca 0.35 0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.80 2k49 h PRO 51 Cb 0.56 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.51 2k49 h PRO 51 CO -0.78 0.20 0.76 0.42 -0.23 0.00 0.00 178.00 178.38 2k49 s ILE 52 N -4.05 4.70 0.58 -3.56 1.01 0.12 -4.88 121.20 115.12 2k49 s ILE 52 Ca -0.02 -1.43 0.39 0.00 0.00 0.00 0.00 60.65 59.59 2k49 s ILE 52 Cb 0.13 -4.75 0.41 0.00 0.01 0.00 0.00 42.46 38.25 2k49 s ILE 52 CO 0.63 -1.48 2.29 -0.08 0.00 0.00 0.00 174.94 176.29 2k49 h GLU 53 N 8.92 0.00 -0.01 2.79 4.81 -1.77 -2.28 114.58 127.04 2k49 h GLU 53 Ca 0.09 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2k49 h GLU 53 Cb 1.03 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 2k49 h GLU 53 CO 1.11 0.01 0.12 0.00 -0.73 0.00 0.00 179.01 179.52 2k49 h ALA 54 N 1.99 1.15 -0.11 2.92 0.00 -1.90 -0.15 119.26 123.16 2k49 h ALA 54 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 54 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k49 h ALA 54 CO 0.00 -0.12 0.00 0.54 0.00 0.00 0.00 179.25 179.67 2k49 n ARG 55 N -3.06 1.29 -0.75 0.00 5.12 -0.86 -4.94 116.66 113.46 2k49 n ARG 55 Ca -0.02 -0.44 -0.31 0.00 -1.93 0.00 0.00 57.85 55.15 2k49 n ARG 55 Cb 0.18 -1.16 0.17 0.00 -1.16 0.00 0.00 32.46 30.50 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 -1.85 1.70 -0.29 -1.55 1.13 -0.07 -3.69 117.35 112.72 2k49 s TYR 56 Ca 0.14 1.65 -0.03 0.00 -1.41 0.00 0.00 57.07 57.42 2k49 s TYR 56 Cb 0.07 -3.27 0.19 0.00 -1.10 0.00 0.00 41.96 37.86 2k49 s TYR 56 CO 0.10 -2.86 0.82 0.00 -2.51 0.00 0.00 175.55 171.10 2k49 s ALA 57 N -2.66 -3.17 -0.21 9.51 0.00 -1.14 -4.89 121.76 119.21 2k49 s ALA 57 Ca 0.66 1.26 -0.05 0.00 0.00 0.00 0.00 51.96 53.84 2k49 s ALA 57 Cb -0.22 -2.64 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 2k49 s ALA 57 CO 0.59 -1.89 -0.01 0.15 0.00 0.00 0.00 175.76 174.60 2k49 s LYS 58 N 2.89 3.55 0.09 0.00 3.01 -1.26 0.26 119.74 128.29 2k49 s LYS 58 Ca 0.17 -0.55 0.05 0.00 -1.01 0.00 0.00 55.97 54.64 2k49 s LYS 58 Cb -0.07 -3.08 -0.03 0.00 -1.01 0.00 0.00 37.83 33.64 2k49 s LYS 58 CO -0.23 -0.06 -0.13 -2.00 0.51 0.00 0.00 175.35 173.43 2k49 s GLU 59 N 1.19 0.88 -0.20 1.68 2.56 -0.68 -4.99 118.70 119.13 2k49 s GLU 59 Ca 0.03 -1.09 -0.05 0.00 0.00 0.00 0.00 54.97 53.86 2k49 s GLU 59 Cb -0.15 -0.77 -0.02 0.00 2.00 0.00 0.00 34.13 35.19 2k49 s GLU 59 CO 0.01 0.15 -0.01 0.08 -0.56 0.00 0.00 175.26 174.94 2k49 s VAL 60 N -1.81 3.86 0.70 3.70 1.01 -1.26 -0.71 120.40 125.89 2k49 s VAL 60 Ca 0.03 -0.34 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 2k49 s VAL 60 Cb -0.07 -2.75 0.02 0.00 0.00 0.00 0.00 36.38 33.58 2k49 s VAL 60 CO 0.02 0.42 1.25 0.00 0.00 0.00 0.00 175.10 176.79 2k49 n ALA 61 N 4.34 0.72 0.31 5.51 0.00 0.25 -4.80 120.51 126.85 2k49 n ALA 61 Ca -0.17 -0.11 0.20 0.00 0.00 0.00 0.00 53.44 53.36 2k49 n ALA 61 Cb 0.52 -2.29 1.09 0.00 0.00 0.00 0.00 19.45 18.77 2k49 n ALA 61 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2k49 h LYS 62 N 0.05 0.00 -0.76 0.00 2.10 -1.99 0.22 116.57 116.18 2k49 h LYS 62 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2k49 h LYS 62 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 2k49 h LYS 62 CO 0.50 0.00 0.00 -1.71 -2.00 0.00 0.00 179.45 176.24 2k49 n ASN 63 N -2.94 3.48 -3.17 7.07 5.15 -1.26 -4.92 115.26 118.67 2k49 n ASN 63 Ca -0.03 -2.48 -0.08 0.00 -0.60 0.00 0.00 54.58 51.40 2k49 n ASN 63 Cb 0.10 -0.59 0.03 0.00 -0.53 0.00 0.00 39.78 38.79 2k49 n ASN 63 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k49 n ASP 64 N 0.35 -7.18 -3.56 1.20 2.03 0.75 -5.05 116.55 105.09 2k49 n ASP 64 Ca 0.15 -0.40 -0.25 0.00 0.52 0.00 0.00 54.79 54.81 2k49 n ASP 64 Cb 0.74 -5.18 -0.15 0.00 -0.72 0.00 0.00 41.12 35.80 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 -3.74 0.12 0.01 -0.67 1.02 -1.19 -4.93 119.74 110.36 2k49 s LYS 65 Ca 0.22 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.81 2k49 s LYS 65 Cb -0.03 -1.54 -0.06 0.00 -0.52 0.00 0.00 37.83 35.69 2k49 s LYS 65 CO 0.75 -0.74 1.36 -1.25 -0.92 0.00 0.00 175.35 174.55 2k49 s PRO 66 N 2.18 4.31 0.30 -1.68 0.04 -1.19 -0.58 135.00 138.37 2k49 s PRO 66 Ca 0.05 1.93 0.05 0.00 0.04 0.00 0.00 61.00 63.06 2k49 s PRO 66 Cb -0.16 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2k49 s PRO 66 CO -0.15 -0.51 0.17 2.48 0.04 0.00 0.00 177.00 179.03 2k49 n TYR 67 N 5.04 -0.28 -4.19 0.56 4.11 0.11 -1.43 117.16 121.08 2k49 n TYR 67 Ca 0.12 -2.18 -0.11 0.00 -0.00 0.00 0.00 57.90 55.73 2k49 n TYR 67 Cb 0.44 0.12 -0.10 0.00 -0.00 0.00 0.00 39.34 39.80 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 -2.94 1.01 -0.07 -3.48 -0.71 -1.26 -1.68 117.98 108.84 2k49 s PHE 68 Ca 0.25 -1.07 -0.08 0.00 -1.04 0.00 0.00 56.93 54.99 2k49 s PHE 68 Cb 0.01 -0.58 0.02 0.00 -1.21 0.00 0.00 43.02 41.26 2k49 s PHE 68 CO 0.17 -0.30 0.21 1.21 -1.34 0.00 0.00 175.22 175.17 2k49 s ASN 69 N -3.10 -0.19 -0.15 1.98 2.47 0.14 -0.82 114.94 115.27 2k49 s ASN 69 Ca 0.21 0.33 -0.01 0.00 0.42 0.00 0.00 52.86 53.81 2k49 s ASN 69 Cb 0.07 0.40 -0.01 0.00 -1.45 0.00 0.00 41.25 40.26 2k49 s ASN 69 CO 0.01 -0.13 -0.10 -0.22 -3.72 0.00 0.00 177.10 172.93 2k49 s LEU 70 N -0.16 2.81 0.17 3.21 2.96 0.16 -2.87 118.68 124.96 2k49 s LEU 70 Ca -0.03 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.62 2k49 s LEU 70 Cb -0.03 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2k49 s LEU 70 CO 0.01 0.12 0.07 -0.54 -1.32 0.00 0.00 176.35 174.69 2k49 s LYS 71 N 0.63 2.68 0.59 1.98 1.02 -1.24 -1.15 119.74 124.25 2k49 s LYS 71 Ca -0.06 -0.98 0.07 0.00 0.02 0.00 0.00 55.97 55.03 2k49 s LYS 71 Cb -0.15 -2.52 0.09 0.00 -0.52 0.00 0.00 37.83 34.73 2k49 s LYS 71 CO 0.03 0.47 0.82 0.00 -0.92 0.00 0.00 175.35 175.75 2k49 s ALA 72 N -1.74 4.46 0.36 5.17 0.00 -0.46 -4.89 121.76 124.66 2k49 s ALA 72 Ca 0.29 -2.00 0.10 0.00 0.00 0.00 0.00 51.96 50.35 2k49 s ALA 72 Cb -0.10 -1.60 0.86 0.00 0.00 0.00 0.00 23.12 22.28 2k49 s ALA 72 CO 0.21 -0.94 1.83 0.00 0.00 0.00 0.00 175.76 176.86 2k49 h ALA 73 N 0.06 1.89 -0.13 0.00 0.00 -1.96 0.31 119.26 119.43 2k49 h ALA 73 Ca -0.32 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2k49 h ALA 73 Cb 1.28 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k49 h ALA 73 CO 0.41 -0.19 0.00 -1.71 0.00 0.00 0.00 179.25 177.76 2k49 n ASN 74 N -4.61 1.25 -0.96 0.00 5.15 -1.26 -4.86 115.26 109.98 2k49 n ASN 74 Ca 0.20 -2.08 -0.12 0.00 -0.60 0.00 0.00 54.58 51.99 2k49 n ASN 74 Cb 0.57 -0.29 -0.04 0.00 -0.53 0.00 0.00 39.78 39.49 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 0.00 -0.09 -3.20 1.20 8.25 0.11 -5.00 115.22 116.49 2k49 n HIS 75 Ca 0.05 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.19 2k49 n HIS 75 Cb 0.25 -2.23 -0.06 0.00 1.12 0.00 0.00 29.99 29.08 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 -3.24 3.96 -0.64 -0.41 -2.07 -1.25 -4.78 119.66 111.23 2k49 s GLN 76 Ca 0.00 0.58 -0.26 0.00 -1.82 0.00 0.00 55.36 53.86 2k49 s GLN 76 Cb 0.00 -2.49 0.04 0.00 -1.09 0.00 0.00 33.01 29.47 2k49 s GLN 76 CO 0.00 0.20 1.13 0.42 -1.32 0.00 0.00 175.29 175.72 2k49 s ILE 77 N -1.93 4.05 -0.08 3.63 -1.09 -1.26 -1.35 121.20 123.16 2k49 s ILE 77 Ca 0.52 0.42 0.21 0.00 -2.23 0.00 0.00 60.65 59.57 2k49 s ILE 77 Cb -0.11 -4.74 -0.31 0.00 -1.58 0.00 0.00 42.46 35.72 2k49 s ILE 77 CO 0.18 -1.48 0.37 2.30 -1.23 0.00 0.00 174.94 175.08 2k49 n ILE 78 N 6.36 0.40 -3.30 2.92 -5.35 -0.30 -4.25 119.36 115.85 2k49 n ILE 78 Ca 0.03 -0.60 0.03 0.00 -0.27 0.00 0.00 62.75 61.93 2k49 n ILE 78 Cb 0.48 -0.14 -0.02 0.00 -1.74 0.00 0.00 39.64 38.23 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 -4.80 -0.89 -0.12 3.28 0.00 -0.97 -4.37 107.32 99.46 2k49 s GLY 79 Ca -0.09 2.04 -0.04 0.00 0.00 0.00 0.00 44.72 46.64 2k49 s GLY 79 CO 0.89 3.30 0.04 -1.59 0.00 0.00 0.00 173.10 175.74 2k49 s THR 80 N 2.87 4.66 0.82 0.90 2.01 0.53 0.37 115.64 127.79 2k49 s THR 80 Ca 0.12 -0.10 -0.07 0.00 0.31 0.00 0.00 61.69 61.95 2k49 s THR 80 Cb -0.14 -3.01 0.17 0.00 0.01 0.00 0.00 72.50 69.53 2k49 s THR 80 CO -0.20 0.57 1.11 -1.54 -0.69 0.00 0.00 174.62 173.88 2k49 n SER 81 N 2.47 0.82 -4.87 3.53 3.41 -0.00 0.33 113.62 119.31 2k49 n SER 81 Ca -0.18 -1.85 -0.29 0.00 -0.26 0.00 0.00 58.87 56.28 2k49 n SER 81 Cb 0.54 -0.78 0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2k49 n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k49 s GLN 82 N -5.39 2.20 -0.38 4.33 -2.07 -1.26 -4.78 119.66 112.31 2k49 s GLN 82 Ca 0.69 0.32 -0.22 0.00 -1.82 0.00 0.00 55.36 54.33 2k49 s GLN 82 Cb -0.03 -1.96 0.01 0.00 -1.09 0.00 0.00 33.01 29.94 2k49 s GLN 82 CO 0.47 -1.47 0.72 -1.64 -1.32 0.00 0.00 175.29 172.05 2k49 s MET 83 N -5.41 3.62 0.53 9.60 -1.94 -1.26 -4.53 119.30 119.90 2k49 s MET 83 Ca 0.61 0.07 -0.03 0.00 -1.71 0.00 0.00 55.69 54.64 2k49 s MET 83 Cb -0.12 -3.85 0.11 0.00 2.01 0.00 0.00 34.83 32.98 2k49 s MET 83 CO 0.51 -0.87 0.72 0.66 -0.01 0.00 0.00 175.02 176.03 2k49 n TYR 84 N 6.32 -3.28 -0.07 -0.03 4.02 -0.52 -4.92 117.16 118.68 2k49 n TYR 84 Ca 0.01 -1.10 0.00 0.00 -0.01 0.00 0.00 57.90 56.80 2k49 n TYR 84 Cb 0.48 -0.54 0.00 0.00 -0.02 0.00 0.00 39.34 39.27 2k49 n TYR 84 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2k49 n SER 85 N -3.08 1.44 -3.89 7.72 7.64 -1.26 -3.19 113.62 119.00 2k49 n SER 85 Ca 0.11 -1.51 -0.16 0.00 1.01 0.00 0.00 58.87 58.32 2k49 n SER 85 Cb 0.40 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.44 2k49 n SER 85 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k49 s SER 86 N -0.51 0.52 0.13 6.43 0.15 -1.26 -4.93 113.70 114.22 2k49 s SER 86 Ca 0.00 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 2k49 s SER 86 Cb 0.00 -0.18 -0.07 0.00 -1.71 0.00 0.00 66.02 64.06 2k49 s SER 86 CO 0.00 -0.02 1.43 0.71 1.20 0.00 0.00 173.24 176.56 2k49 h THR 87 N 5.68 1.27 0.05 6.45 1.35 -1.95 -2.33 112.91 123.43 2k49 h THR 87 Ca -0.35 -1.65 -0.00 0.00 -0.55 0.00 0.00 66.41 63.85 2k49 h THR 87 Cb 1.16 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2k49 h THR 87 CO 0.49 0.54 -0.02 0.00 -0.25 0.00 0.00 175.52 176.28 2k49 h ALA 88 N 0.71 -0.06 0.00 6.62 0.00 -1.99 -0.79 119.26 123.75 2k49 h ALA 88 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 88 Cb 1.08 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2k49 h ALA 88 CO 0.11 -0.53 -0.04 0.00 0.00 0.00 0.00 179.25 178.79 2k49 h ALA 89 N 0.87 1.91 0.24 0.00 0.00 -1.98 0.11 119.26 120.42 2k49 h ALA 89 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2k49 h ALA 89 Cb 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k49 h ALA 89 CO 0.01 0.05 -0.11 -0.09 0.00 0.00 0.00 179.25 179.11 2k49 h ARG 90 N 0.00 -0.31 -0.13 0.00 1.12 -0.82 0.25 114.38 114.49 2k49 h ARG 90 Ca -0.00 0.02 -0.10 0.00 -1.11 0.00 0.00 59.98 58.80 2k49 h ARG 90 Cb 0.08 0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 30.09 2k49 h ARG 90 CO 0.01 0.04 -0.34 -0.44 -3.11 0.00 0.00 179.97 176.12 2k49 h ASP 91 N -0.72 0.27 -0.46 -3.80 3.32 -0.92 -1.71 116.42 112.41 2k49 h ASP 91 Ca -0.03 -0.10 -0.05 0.00 0.02 0.00 0.00 57.03 56.87 2k49 h ASP 91 Cb 0.49 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 2k49 h ASP 91 CO 0.05 0.60 0.13 0.78 -1.72 0.00 0.00 179.24 179.09 2k49 h ASN 92 N 0.23 0.73 -0.88 6.45 4.21 -0.80 -2.23 115.58 123.29 2k49 h ASN 92 Ca 0.03 -0.12 0.04 0.00 1.21 0.00 0.00 56.30 57.45 2k49 h ASN 92 Cb 0.72 -0.19 -0.05 0.00 -1.12 0.00 0.00 38.32 37.68 2k49 h ASN 92 CO 0.05 0.71 0.57 1.23 -1.29 0.00 0.00 177.43 178.70 2k49 h GLY 93 N 0.94 1.28 0.60 2.83 0.00 -0.05 -0.70 103.07 107.96 2k49 h GLY 93 Ca 0.17 -0.43 0.08 0.00 0.00 0.00 0.00 47.33 47.15 2k49 h GLY 93 CO -0.00 0.36 0.43 -2.22 0.00 0.00 0.00 176.54 175.11 2k49 h ILE 94 N 1.09 0.94 -0.79 2.60 2.04 -0.87 -1.49 117.51 121.03 2k49 h ILE 94 Ca 0.35 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2k49 h ILE 94 Cb 0.02 0.12 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 2k49 h ILE 94 CO -0.12 0.14 0.51 0.11 0.00 0.00 0.00 178.15 178.79 2k49 h LYS 95 N 0.75 0.99 -0.64 2.37 1.57 -0.73 -1.48 116.57 119.40 2k49 h LYS 95 Ca 0.35 -0.06 0.10 0.00 -1.87 0.00 0.00 60.65 59.17 2k49 h LYS 95 Cb 0.28 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2k49 h LYS 95 CO -0.22 0.66 0.43 0.77 -0.57 0.00 0.00 179.45 180.52 2k49 h SER 96 N 1.02 0.42 -0.45 0.86 0.02 -0.18 0.40 113.55 115.64 2k49 h SER 96 Ca 0.31 0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.17 2k49 h SER 96 Cb -0.04 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2k49 h SER 96 CO -0.09 0.25 -0.08 0.58 -1.14 0.00 0.00 176.83 176.35 2k49 h VAL 97 N 0.47 1.27 0.00 2.27 2.07 -0.52 0.20 116.25 122.02 2k49 h VAL 97 Ca 0.30 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.59 2k49 h VAL 97 Cb 0.53 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 2k49 h VAL 97 CO -0.09 0.40 -0.23 0.24 0.02 0.00 0.00 177.57 177.92 2k49 h MET 98 N 0.69 0.00 0.00 1.57 2.07 -0.40 0.23 114.93 119.10 2k49 h MET 98 Ca 0.12 0.00 -0.06 0.00 -2.07 0.00 0.00 59.70 57.69 2k49 h MET 98 Cb 0.61 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 30.33 2k49 h MET 98 CO 0.04 0.23 -0.70 0.93 1.07 0.00 0.00 176.91 178.48 2k49 h GLU 99 N 0.00 0.00 0.00 1.72 4.39 -0.85 -3.42 114.58 116.42 2k49 h GLU 99 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k49 h GLU 99 Cb 0.58 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 2k49 h GLU 99 CO 0.03 0.26 -0.38 -0.91 -1.16 0.00 0.00 179.01 176.85 2k49 h ASN 100 N -1.00 0.00 -0.12 1.42 2.35 -0.69 -3.31 115.58 114.23 2k49 h ASN 100 Ca -0.09 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.57 2k49 h ASN 100 Cb 0.71 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.08 2k49 h ASN 100 CO -0.05 0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.38 2k49 n GLY 101 N 1.28 0.65 1.04 2.83 0.00 0.82 -3.60 105.19 108.21 2k49 n GLY 101 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 2.61 -3.55 1.61 4.76 -1.25 -4.57 118.16 117.78 2k49 n LYS 102 Ca 0.05 -1.65 -0.34 0.00 -2.87 0.00 0.00 58.31 53.50 2k49 n LYS 102 Cb 0.26 -1.64 -0.05 0.00 -1.84 0.00 0.00 35.03 31.76 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2k49 s THR 103 N -1.73 5.06 -1.11 -0.18 -1.32 -1.24 -5.00 115.64 110.13 2k49 s THR 103 Ca 0.29 0.40 0.12 0.00 -1.21 0.00 0.00 61.69 61.29 2k49 s THR 103 Cb 0.19 -3.64 0.30 0.00 -1.51 0.00 0.00 72.50 67.84 2k49 s THR 103 CO 0.14 0.17 1.22 0.35 -2.21 0.00 0.00 174.62 174.29 2k49 n THR 104 N 0.53 0.85 -2.43 5.08 -2.24 -1.26 -4.95 114.28 109.86 2k49 n THR 104 Ca -0.05 -0.92 -0.43 0.00 -2.27 0.00 0.00 64.05 60.38 2k49 n THR 104 Cb 0.52 0.62 -0.02 0.00 -2.10 0.00 0.00 70.33 69.34 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 -1.00 3.96 -0.12 4.28 2.01 -1.26 -5.01 115.64 118.49 2k49 s THR 105 Ca 0.24 0.96 -0.02 0.00 0.31 0.00 0.00 61.69 63.17 2k49 s THR 105 Cb 0.13 -4.36 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2k49 s THR 105 CO 0.17 -0.91 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.52 2k49 s ILE 106 N 5.28 3.92 -0.34 1.82 1.01 -1.26 -1.16 121.20 130.47 2k49 s ILE 106 Ca 0.56 -0.37 0.02 0.00 0.00 0.00 0.00 60.65 60.87 2k49 s ILE 106 Cb -0.11 -2.68 0.09 0.00 0.01 0.00 0.00 42.46 39.77 2k49 s ILE 106 CO 0.31 0.54 0.05 -0.54 0.00 0.00 0.00 174.94 175.30 2k49 s LYS 107 N -0.11 1.71 -0.68 2.79 1.02 0.15 -4.95 119.74 119.68 2k49 s LYS 107 Ca 0.02 -1.77 -0.26 0.00 0.02 0.00 0.00 55.97 53.98 2k49 s LYS 107 Cb -0.13 -3.22 0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2k49 s LYS 107 CO 0.02 -0.89 1.18 0.34 -0.92 0.00 0.00 175.35 175.08 2k49 s ASP 108 N 1.09 6.23 0.00 2.83 2.15 -1.26 -0.52 116.67 127.19 2k49 s ASP 108 Ca 0.07 -0.43 0.16 0.00 0.43 0.00 0.00 52.55 52.78 2k49 s ASP 108 Cb -0.20 -2.52 0.52 0.00 -0.30 0.00 0.00 42.92 40.41 2k49 s ASP 108 CO -0.07 -1.66 1.40 0.18 -0.17 0.00 0.00 175.17 174.86 2k49 n LEU 109 N 8.77 1.99 0.09 -1.34 4.77 0.39 -4.12 117.00 127.55 2k49 n LEU 109 Ca 0.03 -0.93 0.12 0.00 -0.03 0.00 0.00 56.01 55.20 2k49 n LEU 109 Cb 0.48 -0.20 0.45 0.00 -2.33 0.00 0.00 43.42 41.83 2k49 n LEU 109 CO 0.69 0.46 0.87 0.35 -1.33 0.00 0.00 177.39 178.43 2k49 n THR 110 N 0.56 0.67 -0.08 -5.08 -2.24 -1.22 -3.59 114.28 103.29 2k49 n THR 110 Ca 0.15 0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.79 2k49 n THR 110 Cb 0.34 -0.85 -0.11 0.00 -2.10 0.00 0.00 70.33 67.62 2k49 n THR 110 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k49 h LEU 111 N 0.00 0.00 -7.89 3.22 3.38 -1.93 -3.48 115.31 108.61 2k49 h LEU 111 Ca 0.00 -0.70 -0.10 0.00 0.09 0.00 0.00 57.88 57.17 2k49 h LEU 111 Cb 0.51 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.11 2k49 h LEU 111 CO 0.00 1.07 -0.45 -1.83 0.09 0.00 0.00 178.44 177.32 2k49 s GLU 112 N -2.19 0.74 -0.29 1.13 -1.05 -1.24 -5.14 118.70 110.67 2k49 s GLU 112 Ca -0.20 -0.94 0.04 0.00 -0.15 0.00 0.00 54.97 53.73 2k49 s GLU 112 Cb 0.00 0.29 0.19 0.00 -0.44 0.00 0.00 34.13 34.18 2k49 s GLU 112 CO 0.56 -0.21 0.56 -3.38 0.95 0.00 0.00 175.26 173.74 2k49 s HIS 113 N -3.53 -1.67 -0.12 4.83 -3.43 -1.26 -4.80 115.29 105.31 2k49 s HIS 113 Ca 0.03 1.10 -0.05 0.00 -0.80 0.00 0.00 55.06 55.34 2k49 s HIS 113 Cb 0.04 0.30 -0.02 0.00 -1.43 0.00 0.00 32.58 31.47 2k49 s HIS 113 CO -0.09 -1.02 -0.08 1.12 -2.00 0.00 0.00 174.74 172.67 2k49 h HIS 114 N 8.03 0.00 -6.81 0.38 2.07 -2.00 -3.48 115.15 113.33 2k49 h HIS 114 Ca -0.07 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.88 2k49 h HIS 114 Cb 1.17 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 31.10 2k49 h HIS 114 CO 0.23 0.01 -0.98 0.72 -3.07 0.00 0.00 177.93 174.84 2k49 n HIS 115 N -4.70 -1.47 -2.17 6.12 8.25 -1.26 -4.83 115.22 115.17 2k49 n HIS 115 Ca -0.04 0.34 -0.41 0.00 -0.26 0.00 0.00 57.72 57.35 2k49 n HIS 115 Cb 0.13 -3.01 -0.03 0.00 1.12 0.00 0.00 29.99 28.20 2k49 n HIS 115 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k49 s HIS 116 N -3.78 3.21 -0.63 4.41 2.46 -1.26 -4.90 115.29 114.79 2k49 s HIS 116 Ca 0.31 1.15 -0.26 0.00 0.47 0.00 0.00 55.06 56.72 2k49 s HIS 116 Cb -0.16 -3.66 -0.02 0.00 -0.13 0.00 0.00 32.58 28.61 2k49 s HIS 116 CO 0.95 -2.11 1.88 -1.01 -2.47 0.00 0.00 174.74 171.98 2k49 s HIS 117 N 0.21 1.66 -2.00 3.88 3.76 -1.26 -5.34 115.29 116.19 2k49 s HIS 117 Ca 0.58 0.79 0.26 0.00 -0.15 0.00 0.00 55.06 56.55 2k49 s HIS 117 Cb -0.38 -4.08 1.58 0.00 1.11 0.00 0.00 32.58 30.81 2k49 s HIS 117 CO 0.38 -2.27 1.93 1.58 -0.85 0.00 0.00 174.74 175.51