#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 5.76 0.90 7.83 1.04 -1.26 -4.81 113.70 123.16 2k49 s SER 2 Ca 0.00 -1.27 -0.14 0.00 0.48 0.00 0.00 55.95 55.02 2k49 s SER 2 Cb 0.00 -2.03 0.15 0.00 0.10 0.00 0.00 66.02 64.24 2k49 s SER 2 CO 0.00 -0.49 1.26 -0.83 0.98 0.00 0.00 173.24 174.15 2k49 s GLY 3 N 1.96 1.70 0.12 7.32 0.00 -1.26 -4.05 107.32 113.11 2k49 s GLY 3 Ca 0.03 -0.96 -0.12 0.00 0.00 0.00 0.00 44.72 43.67 2k49 s GLY 3 CO 0.05 -0.30 0.30 0.66 0.00 0.00 0.00 173.10 173.80 2k49 s TRP 4 N -3.74 0.04 -0.20 1.90 -2.14 -0.98 -4.85 118.94 108.97 2k49 s TRP 4 Ca 0.69 -0.42 -0.06 0.00 2.66 0.00 0.00 56.10 58.97 2k49 s TRP 4 Cb -0.07 0.08 -0.03 0.00 -3.10 0.00 0.00 33.47 30.35 2k49 s TRP 4 CO 0.51 -0.64 0.02 0.71 -2.66 0.00 0.00 176.95 174.89 2k49 s TYR 5 N -3.86 3.08 -0.38 1.66 1.51 -0.73 -1.82 117.35 116.83 2k49 s TYR 5 Ca 0.06 -0.33 -0.10 0.00 -1.01 0.00 0.00 57.07 55.69 2k49 s TYR 5 Cb 0.03 -2.10 0.04 0.00 -0.11 0.00 0.00 41.96 39.82 2k49 s TYR 5 CO -0.09 -0.17 0.20 -1.21 -1.11 0.00 0.00 175.55 173.17 2k49 s GLU 6 N 0.94 2.75 -0.45 -0.62 2.02 -0.29 0.18 118.70 123.24 2k49 s GLU 6 Ca 0.02 -1.16 -0.20 0.00 0.02 0.00 0.00 54.97 53.65 2k49 s GLU 6 Cb -0.14 -3.70 0.03 0.00 0.10 0.00 0.00 34.13 30.42 2k49 s GLU 6 CO 0.02 -0.74 0.62 -1.17 0.02 0.00 0.00 175.26 174.01 2k49 s LEU 7 N 1.51 4.60 0.17 1.80 2.96 -0.36 -1.19 118.68 128.18 2k49 s LEU 7 Ca 0.01 -0.46 0.10 0.00 -0.22 0.00 0.00 54.13 53.56 2k49 s LEU 7 Cb -0.20 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.80 2k49 s LEU 7 CO 0.05 -0.77 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.19 2k49 s SER 8 N 2.07 3.78 -0.14 3.68 1.04 -0.48 -0.15 113.70 123.50 2k49 s SER 8 Ca 0.20 -0.71 -0.03 0.00 0.48 0.00 0.00 55.95 55.89 2k49 s SER 8 Cb -0.15 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.48 2k49 s SER 8 CO 0.17 0.13 -0.03 -0.75 0.98 0.00 0.00 173.24 173.74 2k49 s LYS 9 N -2.60 3.52 0.77 4.02 2.20 -1.26 -2.06 119.74 124.32 2k49 s LYS 9 Ca 0.21 -0.50 -0.11 0.00 -0.36 0.00 0.00 55.97 55.20 2k49 s LYS 9 Cb -0.09 -2.88 0.05 0.00 -1.51 0.00 0.00 37.83 33.41 2k49 s LYS 9 CO 0.11 0.33 1.09 0.45 -0.36 0.00 0.00 175.35 176.98 2k49 s SER 10 N 0.11 4.79 0.61 1.43 0.15 -0.12 -4.91 113.70 115.76 2k49 s SER 10 Ca -0.01 1.29 0.41 0.00 0.70 0.00 0.00 55.95 58.34 2k49 s SER 10 Cb -0.13 -2.05 2.18 0.00 -1.71 0.00 0.00 66.02 64.30 2k49 s SER 10 CO 0.03 -1.78 2.25 0.28 1.20 0.00 0.00 173.24 175.22 2k49 h SER 11 N -0.96 0.00 -0.13 5.45 0.02 -2.00 0.16 113.55 116.09 2k49 h SER 11 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2k49 h SER 11 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 2k49 h SER 11 CO 0.60 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.88 2k49 n ASN 12 N -2.97 0.72 -1.27 3.07 3.02 -1.26 -4.88 115.26 111.68 2k49 n ASN 12 Ca -0.02 -1.94 -0.17 0.00 -0.03 0.00 0.00 54.58 52.42 2k49 n ASN 12 Cb 0.09 -0.08 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k49 n ASP 13 N -0.13 -5.53 -4.77 6.41 8.00 0.54 -4.98 116.55 116.08 2k49 n ASP 13 Ca 0.06 0.41 -0.39 0.00 0.71 0.00 0.00 54.79 55.58 2k49 n ASP 13 Cb 0.12 -4.50 -0.06 0.00 -0.02 0.00 0.00 41.12 36.67 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 -3.39 4.34 -0.13 -1.24 -0.21 -1.25 -4.83 119.66 112.94 2k49 s GLN 14 Ca 0.00 0.84 -0.06 0.00 0.02 0.00 0.00 55.36 56.16 2k49 s GLN 14 Cb 0.00 -3.31 -0.04 0.00 1.00 0.00 0.00 33.01 30.66 2k49 s GLN 14 CO 0.00 0.46 0.10 -0.06 -2.12 0.00 0.00 175.29 173.67 2k49 s PHE 15 N -0.55 3.44 -0.17 0.91 0.08 -0.13 -0.95 117.98 120.62 2k49 s PHE 15 Ca 0.32 0.38 -0.16 0.00 0.12 0.00 0.00 56.93 57.59 2k49 s PHE 15 Cb -0.20 -1.95 0.05 0.00 -0.57 0.00 0.00 43.02 40.35 2k49 s PHE 15 CO 0.20 0.56 0.47 -1.59 -0.10 0.00 0.00 175.22 174.75 2k49 s LYS 16 N -0.67 0.56 0.05 0.44 0.00 -0.88 -0.42 119.74 118.83 2k49 s LYS 16 Ca 0.12 0.62 0.06 0.00 0.00 0.00 0.00 55.97 56.77 2k49 s LYS 16 Cb -0.12 0.27 -0.04 0.00 0.00 0.00 0.00 37.83 37.95 2k49 s LYS 16 CO 0.02 -0.07 -0.10 -0.59 0.00 0.00 0.00 175.35 174.61 2k49 s PHE 17 N 0.17 2.77 -0.09 1.78 -0.71 -1.26 -1.38 117.98 119.27 2k49 s PHE 17 Ca -0.01 -0.12 0.04 0.00 -1.04 0.00 0.00 56.93 55.80 2k49 s PHE 17 Cb -0.03 -1.51 0.00 0.00 -1.21 0.00 0.00 43.02 40.27 2k49 s PHE 17 CO 0.01 0.38 -0.21 0.14 -1.34 0.00 0.00 175.22 174.20 2k49 s VAL 18 N -1.09 1.79 -0.27 -2.49 -7.23 -0.33 -2.43 120.40 108.34 2k49 s VAL 18 Ca 0.19 -0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 59.33 2k49 s VAL 18 Cb -0.11 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.24 2k49 s VAL 18 CO 0.10 0.50 0.44 -0.22 -0.31 0.00 0.00 175.10 175.61 2k49 s LEU 19 N 0.41 4.07 -0.15 1.32 2.96 0.23 -1.13 118.68 126.39 2k49 s LEU 19 Ca -0.17 0.36 -0.00 0.00 -0.22 0.00 0.00 54.13 54.10 2k49 s LEU 19 Cb -0.17 -2.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.98 2k49 s LEU 19 CO 0.07 -0.25 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.18 2k49 s LYS 20 N 2.19 3.30 -1.12 1.98 1.02 -0.76 -1.25 119.74 125.10 2k49 s LYS 20 Ca 0.18 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.28 2k49 s LYS 20 Cb -0.16 -2.64 0.14 0.00 -0.52 0.00 0.00 37.83 34.65 2k49 s LYS 20 CO 0.10 0.10 1.38 0.00 -0.92 0.00 0.00 175.35 176.01 2k49 s ALA 21 N 0.62 3.62 0.00 5.17 0.00 -0.57 -2.31 121.76 128.30 2k49 s ALA 21 Ca -0.08 -3.04 0.00 0.00 0.00 0.00 0.00 51.96 48.84 2k49 s ALA 21 Cb -0.16 -4.20 0.00 0.00 0.00 0.00 0.00 23.12 18.76 2k49 s ALA 21 CO 0.03 -2.97 0.00 0.41 0.00 0.00 0.00 175.76 173.23 2k49 n GLY 22 N 4.90 0.68 0.00 0.00 0.00 -1.26 -4.15 105.19 105.37 2k49 n GLY 22 Ca 0.34 -0.01 0.09 0.00 0.00 0.00 0.00 46.02 46.45 2k49 n GLY 22 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k49 n ASN 23 N 1.76 0.00 0.00 1.61 3.02 -1.26 -4.81 115.26 115.57 2k49 n ASN 23 Ca 0.00 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 2k49 n ASN 23 Cb 0.00 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k49 n GLY 24 N 0.32 0.66 3.68 7.41 0.00 -1.26 -5.05 105.19 110.96 2k49 n GLY 24 Ca 0.10 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.54 4.36 -0.61 1.61 2.56 -1.26 -4.86 118.70 119.96 2k49 s GLU 25 Ca 0.00 1.23 -0.28 0.00 0.00 0.00 0.00 54.97 55.92 2k49 s GLU 25 Cb 0.00 -3.56 0.02 0.00 2.00 0.00 0.00 34.13 32.58 2k49 s GLU 25 CO 0.00 -0.34 1.41 0.08 -0.56 0.00 0.00 175.26 175.85 2k49 s VAL 26 N 2.14 3.75 -0.08 3.70 1.01 -1.26 -1.51 120.40 128.15 2k49 s VAL 26 Ca 0.44 0.59 -0.04 0.00 0.00 0.00 0.00 61.98 62.97 2k49 s VAL 26 Cb -0.17 -4.52 -0.27 0.00 0.00 0.00 0.00 36.38 31.42 2k49 s VAL 26 CO 0.15 -1.31 0.52 0.16 0.00 0.00 0.00 175.10 174.62 2k49 h ILE 27 N 6.33 0.77 -3.44 2.22 3.07 -1.55 -3.42 117.51 121.49 2k49 h ILE 27 Ca -0.27 -2.48 -0.49 0.00 1.55 0.00 0.00 64.86 63.17 2k49 h ILE 27 Cb 1.09 2.57 -0.33 0.00 -0.27 0.00 0.00 36.82 39.87 2k49 h ILE 27 CO 1.20 0.82 -0.80 -0.76 -1.05 0.00 0.00 178.15 177.56 2k49 s LEU 28 N -6.93 1.58 -0.16 0.16 2.01 -1.11 -3.86 118.68 110.37 2k49 s LEU 28 Ca -0.17 -0.26 0.01 0.00 0.01 0.00 0.00 54.13 53.72 2k49 s LEU 28 Cb 0.07 -0.74 0.02 0.00 0.01 0.00 0.00 46.19 45.56 2k49 s LEU 28 CO 0.80 0.02 -0.15 -0.89 1.01 0.00 0.00 176.35 177.14 2k49 s THR 29 N 0.70 1.70 0.45 5.49 2.01 0.37 -0.60 115.64 125.76 2k49 s THR 29 Ca -0.14 -0.76 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 2k49 s THR 29 Cb -0.15 -1.60 0.11 0.00 0.01 0.00 0.00 72.50 70.86 2k49 s THR 29 CO 0.03 0.43 0.56 -0.24 -0.69 0.00 0.00 174.62 174.71 2k49 n SER 30 N 4.72 -0.25 -3.41 3.53 2.88 -1.02 -0.26 113.62 119.80 2k49 n SER 30 Ca -0.18 -1.13 -0.12 0.00 -1.33 0.00 0.00 58.87 56.12 2k49 n SER 30 Cb 0.49 -0.44 0.06 0.00 -0.75 0.00 0.00 64.21 63.57 2k49 n SER 30 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2k49 n GLU 31 N -2.37 0.36 -2.74 -1.46 0.28 -1.25 -4.84 120.64 108.62 2k49 n GLU 31 Ca 0.07 -1.51 -0.43 0.00 -0.16 0.00 0.00 57.16 55.14 2k49 n GLU 31 Cb 0.25 -0.30 -0.03 0.00 1.43 0.00 0.00 31.44 32.79 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k49 s LEU 32 N 0.00 3.86 0.14 -1.84 1.43 -1.26 -4.52 118.68 116.50 2k49 s LEU 32 Ca 0.35 0.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.34 2k49 s LEU 32 Cb -0.02 -3.19 -0.07 0.00 0.03 0.00 0.00 46.19 42.93 2k49 s LEU 32 CO 0.23 -1.19 0.67 -0.31 0.23 0.00 0.00 176.35 175.97 2k49 s TYR 33 N 4.12 3.78 -0.14 0.29 1.51 0.44 -4.89 117.35 122.45 2k49 s TYR 33 Ca 0.39 1.39 0.15 0.00 -1.01 0.00 0.00 57.07 57.99 2k49 s TYR 33 Cb -0.09 -2.59 0.01 0.00 -0.11 0.00 0.00 41.96 39.17 2k49 s TYR 33 CO 0.26 0.49 1.30 1.79 -1.11 0.00 0.00 175.55 178.28 2k49 h THR 34 N 3.21 0.80 -3.97 -0.71 1.35 -1.92 -0.32 112.91 111.35 2k49 h THR 34 Ca -0.48 -2.19 -0.69 0.00 -0.55 0.00 0.00 66.41 62.50 2k49 h THR 34 Cb 1.20 2.34 -0.31 0.00 -1.73 0.00 0.00 68.15 69.65 2k49 h THR 34 CO 0.65 0.45 -0.88 -0.83 -0.25 0.00 0.00 175.52 174.66 2k49 s GLY 35 N -4.54 1.29 0.09 5.82 0.00 -1.26 -4.84 107.32 103.87 2k49 s GLY 35 Ca 0.02 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.44 2k49 s GLY 35 CO 0.76 -0.62 1.69 1.70 0.00 0.00 0.00 173.10 176.63 2k49 h LYS 36 N 6.10 -0.38 -0.67 2.90 3.64 -1.93 -2.24 116.57 123.99 2k49 h LYS 36 Ca -0.31 0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.15 2k49 h LYS 36 Cb 1.18 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 33.04 2k49 h LYS 36 CO 0.47 -0.25 0.44 0.77 -2.27 0.00 0.00 179.45 178.61 2k49 h SER 37 N -0.39 0.61 -0.91 4.20 0.02 -1.99 -1.56 113.55 113.52 2k49 h SER 37 Ca -0.03 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.91 2k49 h SER 37 Cb 0.32 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.68 2k49 h SER 37 CO 0.04 0.40 0.51 1.23 -1.14 0.00 0.00 176.83 177.87 2k49 h GLY 38 N 0.70 1.35 0.83 -3.77 0.00 -1.88 0.13 103.07 100.42 2k49 h GLY 38 Ca 0.29 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2k49 h GLY 38 CO -0.09 0.58 -0.03 0.00 0.00 0.00 0.00 176.54 176.99 2k49 h ALA 39 N 1.29 -0.09 -0.62 3.60 0.00 -0.72 -1.16 119.26 121.57 2k49 h ALA 39 Ca 0.32 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2k49 h ALA 39 Cb 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2k49 h ALA 39 CO -0.05 -0.46 0.12 0.52 0.00 0.00 0.00 179.25 179.37 2k49 h MET 40 N -0.26 0.99 -1.00 0.00 2.86 -1.30 -1.17 114.93 115.04 2k49 h MET 40 Ca -0.01 -0.24 0.08 0.00 -2.06 0.00 0.00 59.70 57.47 2k49 h MET 40 Cb 0.23 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.69 2k49 h MET 40 CO 0.01 0.90 0.64 -0.97 1.06 0.00 0.00 176.91 178.56 2k49 h ASN 41 N 0.94 1.00 -0.85 1.22 -1.24 -0.69 0.61 115.58 116.56 2k49 h ASN 41 Ca 0.19 0.02 0.05 0.00 0.71 0.00 0.00 56.30 57.27 2k49 h ASN 41 Cb 0.38 -0.19 -0.05 0.00 0.73 0.00 0.00 38.32 39.19 2k49 h ASN 41 CO 0.01 0.61 0.56 1.23 -1.29 0.00 0.00 177.43 178.54 2k49 h GLY 42 N 1.12 1.21 1.04 1.57 0.00 -0.02 -2.26 103.07 105.73 2k49 h GLY 42 Ca 0.45 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k49 h GLY 42 CO -0.19 0.32 0.32 -2.22 0.00 0.00 0.00 176.54 174.76 2k49 h ILE 43 N 1.00 1.26 -0.42 2.60 2.04 -0.11 -0.48 117.51 123.40 2k49 h ILE 43 Ca 0.35 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.49 2k49 h ILE 43 Cb 0.13 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.48 2k49 h ILE 43 CO -0.12 0.33 0.03 -0.33 0.00 0.00 0.00 178.15 178.06 2k49 h GLU 44 N 1.12 0.14 -0.89 2.37 4.39 -0.76 -1.35 114.58 119.59 2k49 h GLU 44 Ca 0.26 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.95 2k49 h GLU 44 Cb 0.20 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2k49 h GLU 44 CO -0.02 0.09 0.54 1.03 -1.16 0.00 0.00 179.01 179.49 2k49 h SER 45 N 0.14 1.06 -0.25 1.42 0.87 -0.93 -2.41 113.55 113.45 2k49 h SER 45 Ca 0.21 -0.06 0.06 0.00 -1.23 0.00 0.00 61.79 60.77 2k49 h SER 45 Cb 0.29 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 2k49 h SER 45 CO -0.32 0.81 -0.14 0.58 -0.53 0.00 0.00 176.83 177.22 2k49 h VAL 46 N 1.22 0.58 -0.61 2.23 2.07 -0.06 0.29 116.25 121.96 2k49 h VAL 46 Ca 0.32 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.95 2k49 h VAL 46 Cb -0.06 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 30.20 2k49 h VAL 46 CO -0.06 0.00 0.14 1.56 0.02 0.00 0.00 177.57 179.23 2k49 h GLN 47 N -0.12 0.27 -0.20 1.57 1.08 -0.84 0.15 115.11 117.02 2k49 h GLN 47 Ca 0.13 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.19 2k49 h GLN 47 Cb 0.32 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2k49 h GLN 47 CO -0.32 0.18 -0.40 1.15 -0.95 0.00 0.00 178.83 178.49 2k49 h THR 48 N 0.28 1.30 0.00 -0.54 2.02 -0.95 -3.27 112.91 111.75 2k49 h THR 48 Ca 0.32 -1.55 -0.17 0.00 0.77 0.00 0.00 66.41 65.79 2k49 h THR 48 Cb 0.48 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2k49 h THR 48 CO -0.40 0.48 -0.88 0.78 0.37 0.00 0.00 175.52 175.88 2k49 h ASN 49 N 0.39 0.00 -0.83 4.18 2.35 0.53 -3.39 115.58 118.81 2k49 h ASN 49 Ca 0.04 0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.97 2k49 h ASN 49 Cb 0.87 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.09 2k49 h ASN 49 CO 0.07 0.75 -0.08 0.28 -1.65 0.00 0.00 177.43 176.80 2k49 h SER 50 N 0.00 -0.56 0.00 5.81 0.02 -0.79 0.20 113.55 118.24 2k49 h SER 50 Ca -0.04 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2k49 h SER 50 Cb 1.60 0.44 0.00 0.00 0.14 0.00 0.00 62.40 64.59 2k49 h SER 50 CO 0.09 -0.25 0.00 -0.81 -1.14 0.00 0.00 176.83 174.72 2k49 n PRO 51 N -5.46 0.59 -4.05 3.45 -0.04 -1.26 -4.62 135.00 123.61 2k49 n PRO 51 Ca 0.15 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.29 2k49 n PRO 51 Cb 0.50 -1.30 -0.15 0.00 -0.04 0.00 0.00 33.50 32.51 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 -2.00 2.14 0.39 0.52 1.01 0.71 -4.98 121.20 118.99 2k49 s ILE 52 Ca 0.17 -1.76 0.21 0.00 0.00 0.00 0.00 60.65 59.27 2k49 s ILE 52 Cb 0.08 -2.33 0.21 0.00 0.01 0.00 0.00 42.46 40.43 2k49 s ILE 52 CO 0.13 -0.16 1.97 -0.08 0.00 0.00 0.00 174.94 176.81 2k49 h GLU 53 N 7.75 0.00 0.00 2.79 4.81 -1.82 -1.99 114.58 126.13 2k49 h GLU 53 Ca -0.16 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 2k49 h GLU 53 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2k49 h GLU 53 CO 0.47 0.21 0.08 0.00 -0.73 0.00 0.00 179.01 179.04 2k49 h ALA 54 N 1.79 1.07 0.00 2.92 0.00 -1.93 0.21 119.26 123.33 2k49 h ALA 54 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 2k49 h ALA 54 Cb 0.45 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k49 h ALA 54 CO 0.03 -0.07 -1.24 0.00 0.00 0.00 0.00 179.25 177.96 2k49 h ARG 55 N 0.00 0.00 -5.33 0.00 2.47 -1.66 -3.43 114.38 106.44 2k49 h ARG 55 Ca 0.00 0.00 -0.66 0.00 -1.26 0.00 0.00 59.98 58.06 2k49 h ARG 55 Cb 0.17 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 28.33 2k49 h ARG 55 CO 0.00 0.24 0.88 0.71 0.56 0.00 0.00 179.97 182.36 2k49 s TYR 56 N -3.02 2.90 -0.64 3.04 2.02 0.74 -1.83 117.35 120.56 2k49 s TYR 56 Ca -0.02 -1.08 -0.26 0.00 -0.37 0.00 0.00 57.07 55.34 2k49 s TYR 56 Cb 0.09 -4.36 -0.03 0.00 -0.40 0.00 0.00 41.96 37.26 2k49 s TYR 56 CO 0.80 -1.61 1.89 0.00 -1.57 0.00 0.00 175.55 175.05 2k49 s ALA 57 N 3.44 2.10 -0.42 3.71 0.00 0.19 -4.81 121.76 125.98 2k49 s ALA 57 Ca 0.32 -0.72 -0.16 0.00 0.00 0.00 0.00 51.96 51.40 2k49 s ALA 57 Cb -0.07 -4.33 0.02 0.00 0.00 0.00 0.00 23.12 18.74 2k49 s ALA 57 CO -0.05 -4.01 0.37 -1.59 0.00 0.00 0.00 175.76 170.48 2k49 s LYS 58 N 7.08 3.03 0.39 0.00 -2.85 -1.26 -0.51 119.74 125.62 2k49 s LYS 58 Ca 0.68 -0.89 0.08 0.00 -1.00 0.00 0.00 55.97 54.84 2k49 s LYS 58 Cb -0.12 -3.98 -0.07 0.00 -2.06 0.00 0.00 37.83 31.61 2k49 s LYS 58 CO 0.19 -0.81 0.02 -1.21 0.10 0.00 0.00 175.35 173.64 2k49 s GLU 59 N 1.92 2.00 -0.21 1.78 0.41 0.04 -4.97 118.70 119.67 2k49 s GLU 59 Ca 0.09 -1.98 0.02 0.00 -0.41 0.00 0.00 54.97 52.68 2k49 s GLU 59 Cb -0.18 -1.75 0.04 0.00 -1.78 0.00 0.00 34.13 30.45 2k49 s GLU 59 CO 0.12 -0.00 -0.15 0.08 -0.49 0.00 0.00 175.26 174.82 2k49 s VAL 60 N -2.64 2.01 0.73 2.63 1.01 -1.26 -0.93 120.40 121.94 2k49 s VAL 60 Ca 0.36 -1.20 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2k49 s VAL 60 Cb 0.06 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.49 2k49 s VAL 60 CO 0.19 0.26 1.07 0.00 0.00 0.00 0.00 175.10 176.62 2k49 n ALA 61 N 4.57 0.03 0.30 5.51 0.00 0.42 -4.84 120.51 126.50 2k49 n ALA 61 Ca -0.17 -0.19 0.03 0.00 0.00 0.00 0.00 53.44 53.12 2k49 n ALA 61 Cb 0.46 -2.18 0.17 0.00 0.00 0.00 0.00 19.45 17.91 2k49 n ALA 61 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k49 n LYS 62 N -2.16 0.06 -0.58 0.00 5.02 -1.26 -0.61 118.16 118.63 2k49 n LYS 62 Ca 0.14 0.28 0.06 0.00 -2.02 0.00 0.00 58.31 56.77 2k49 n LYS 62 Cb 0.49 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.30 2k49 n LYS 62 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2k49 n ASN 63 N -1.37 4.19 -2.39 4.39 3.02 -1.26 -4.90 115.26 116.93 2k49 n ASN 63 Ca 0.03 -2.53 -0.19 0.00 -0.03 0.00 0.00 54.58 51.86 2k49 n ASN 63 Cb 0.07 -0.58 0.02 0.00 -0.61 0.00 0.00 39.78 38.68 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 0.64 -5.37 -4.23 6.41 2.03 0.22 -5.00 116.55 111.25 2k49 n ASP 64 Ca 0.20 -0.16 -0.37 0.00 0.52 0.00 0.00 54.79 54.99 2k49 n ASP 64 Cb 0.84 -4.29 -0.13 0.00 -0.72 0.00 0.00 41.12 36.82 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 -5.30 2.54 0.25 -0.67 1.02 -1.20 -4.91 119.74 111.48 2k49 s LYS 65 Ca 0.17 -1.22 -0.30 0.00 0.02 0.00 0.00 55.97 54.64 2k49 s LYS 65 Cb -0.07 -3.34 -0.09 0.00 -0.52 0.00 0.00 37.83 33.80 2k49 s LYS 65 CO 0.21 -0.65 0.99 -1.25 -0.92 0.00 0.00 175.35 173.73 2k49 s PRO 66 N 1.34 4.79 0.31 -1.68 0.04 -1.25 -0.43 135.00 138.11 2k49 s PRO 66 Ca -0.03 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.55 2k49 s PRO 66 Cb -0.20 -3.25 -0.00 0.00 0.04 0.00 0.00 34.50 31.09 2k49 s PRO 66 CO 0.01 0.42 0.46 1.52 0.04 0.00 0.00 177.00 179.45 2k49 s TYR 67 N -1.17 0.84 -0.13 0.56 1.13 -0.11 -1.01 117.35 117.47 2k49 s TYR 67 Ca 0.42 -1.13 -0.12 0.00 -1.41 0.00 0.00 57.07 54.84 2k49 s TYR 67 Cb -0.28 -0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.60 2k49 s TYR 67 CO 0.35 -1.08 0.34 -0.59 -2.51 0.00 0.00 175.55 172.06 2k49 s PHE 68 N -3.37 -0.37 0.13 -3.49 -0.71 -1.26 -0.78 117.98 108.13 2k49 s PHE 68 Ca 0.28 0.90 0.07 0.00 -1.04 0.00 0.00 56.93 57.14 2k49 s PHE 68 Cb -0.00 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.89 2k49 s PHE 68 CO 0.16 -0.18 -0.05 -0.80 -1.34 0.00 0.00 175.22 173.01 2k49 s ASN 69 N 0.18 4.61 -0.20 1.98 -0.87 0.34 -0.96 114.94 120.03 2k49 s ASN 69 Ca -0.00 -0.37 -0.03 0.00 -1.57 0.00 0.00 52.86 50.89 2k49 s ASN 69 Cb -0.02 -0.95 -0.01 0.00 -0.02 0.00 0.00 41.25 40.25 2k49 s ASN 69 CO 0.00 0.14 -0.06 -0.22 -2.57 0.00 0.00 177.10 174.39 2k49 s LEU 70 N -2.52 2.84 0.01 0.60 2.96 0.35 0.57 118.68 123.49 2k49 s LEU 70 Ca 0.24 -0.38 0.07 0.00 -0.22 0.00 0.00 54.13 53.84 2k49 s LEU 70 Cb -0.10 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.85 2k49 s LEU 70 CO 0.16 0.02 -0.21 -0.54 -1.32 0.00 0.00 176.35 174.46 2k49 s LYS 71 N 1.25 2.11 0.91 1.98 1.02 -0.76 -0.79 119.74 125.45 2k49 s LYS 71 Ca 0.03 -0.94 -0.13 0.00 0.02 0.00 0.00 55.97 54.96 2k49 s LYS 71 Cb -0.14 -2.14 0.18 0.00 -0.52 0.00 0.00 37.83 35.21 2k49 s LYS 71 CO -0.02 0.56 1.25 0.00 -0.92 0.00 0.00 175.35 176.21 2k49 s ALA 72 N -0.77 2.56 0.31 5.17 0.00 -0.64 -4.81 121.76 123.59 2k49 s ALA 72 Ca 0.12 -1.31 0.07 0.00 0.00 0.00 0.00 51.96 50.84 2k49 s ALA 72 Cb -0.10 -2.61 0.76 0.00 0.00 0.00 0.00 23.12 21.17 2k49 s ALA 72 CO 0.02 -2.21 1.79 0.00 0.00 0.00 0.00 175.76 175.36 2k49 h ALA 73 N -1.39 1.72 0.00 0.00 0.00 -1.97 0.34 119.26 117.97 2k49 h ALA 73 Ca -0.43 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2k49 h ALA 73 Cb 1.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2k49 h ALA 73 CO 0.39 -0.07 0.00 -1.71 0.00 0.00 0.00 179.25 177.86 2k49 n ASN 74 N -4.73 0.00 -0.22 0.00 5.15 -1.26 -4.83 115.26 109.38 2k49 n ASN 74 Ca 0.23 -1.75 -0.03 0.00 -0.60 0.00 0.00 54.58 52.43 2k49 n ASN 74 Cb 0.57 -0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.80 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 -0.50 0.00 -2.53 1.20 8.25 0.12 -4.98 115.22 116.78 2k49 n HIS 75 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 2k49 n HIS 75 Cb 0.00 -1.26 -0.05 0.00 1.12 0.00 0.00 29.99 29.81 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 -1.51 4.64 -0.47 -0.41 -2.07 -1.25 -4.74 119.66 113.85 2k49 s GLN 76 Ca 0.00 1.73 -0.28 0.00 -1.82 0.00 0.00 55.36 54.99 2k49 s GLN 76 Cb 0.00 -3.15 -0.01 0.00 -1.09 0.00 0.00 33.01 28.76 2k49 s GLN 76 CO 0.00 0.23 1.68 0.42 -1.32 0.00 0.00 175.29 176.31 2k49 s ILE 77 N -1.21 3.57 -1.94 3.63 -1.09 -1.26 -1.61 121.20 121.28 2k49 s ILE 77 Ca 0.45 0.50 0.18 0.00 -2.23 0.00 0.00 60.65 59.55 2k49 s ILE 77 Cb -0.30 -3.97 0.07 0.00 -1.58 0.00 0.00 42.46 36.68 2k49 s ILE 77 CO 0.38 -0.76 0.99 2.30 -1.23 0.00 0.00 174.94 176.63 2k49 n ILE 78 N 7.20 0.00 -3.55 2.92 -5.35 0.03 -3.77 119.36 116.83 2k49 n ILE 78 Ca 0.19 -0.41 -0.15 0.00 -0.27 0.00 0.00 62.75 62.11 2k49 n ILE 78 Cb 0.49 1.29 -0.06 0.00 -1.74 0.00 0.00 39.64 39.63 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 -1.76 -0.44 -0.15 3.28 0.00 -0.29 -4.31 107.32 103.64 2k49 s GLY 79 Ca 0.18 1.70 -0.06 0.00 0.00 0.00 0.00 44.72 46.54 2k49 s GLY 79 CO 0.33 1.09 0.31 -1.59 0.00 0.00 0.00 173.10 173.24 2k49 s THR 80 N -0.98 -0.46 0.80 0.90 2.01 0.63 -0.49 115.64 118.05 2k49 s THR 80 Ca -0.06 0.24 -0.08 0.00 0.31 0.00 0.00 61.69 62.10 2k49 s THR 80 Cb -0.01 -0.51 0.13 0.00 0.01 0.00 0.00 72.50 72.12 2k49 s THR 80 CO 0.05 0.10 1.11 -0.55 -0.69 0.00 0.00 174.62 174.64 2k49 s SER 81 N 2.40 4.08 -0.12 3.53 0.15 -0.13 -0.48 113.70 123.13 2k49 s SER 81 Ca -0.00 0.10 -0.19 0.00 0.70 0.00 0.00 55.95 56.55 2k49 s SER 81 Cb -0.12 -0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 2k49 s SER 81 CO -0.10 -2.07 0.52 -1.10 1.20 0.00 0.00 173.24 171.69 2k49 s GLN 82 N -5.42 4.34 -0.45 5.44 -0.21 -1.26 -4.76 119.66 117.34 2k49 s GLN 82 Ca 0.67 0.53 -0.28 0.00 0.02 0.00 0.00 55.36 56.29 2k49 s GLN 82 Cb -0.06 -3.45 -0.09 0.00 1.00 0.00 0.00 33.01 30.41 2k49 s GLN 82 CO 0.47 0.10 2.37 -1.33 -2.12 0.00 0.00 175.29 174.78 2k49 n MET 83 N 3.83 1.18 -1.37 2.91 2.81 -1.26 -4.75 117.12 120.47 2k49 n MET 83 Ca -0.06 0.17 -0.30 0.00 -1.81 0.00 0.00 57.70 55.71 2k49 n MET 83 Cb 0.51 -3.08 0.12 0.00 -0.71 0.00 0.00 33.22 30.06 2k49 n MET 83 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2k49 s TYR 84 N 10.31 2.53 -0.28 2.03 2.02 -0.18 -4.89 117.35 128.90 2k49 s TYR 84 Ca 1.04 1.17 0.21 0.00 -0.37 0.00 0.00 57.07 59.12 2k49 s TYR 84 Cb -0.41 -3.17 0.11 0.00 -0.40 0.00 0.00 41.96 38.09 2k49 s TYR 84 CO 0.34 -2.16 1.27 0.66 -1.57 0.00 0.00 175.55 174.08 2k49 h SER 85 N -1.37 0.00 -5.02 2.29 4.64 -1.91 -3.32 113.55 108.85 2k49 h SER 85 Ca -0.49 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.67 2k49 h SER 85 Cb 1.28 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.17 2k49 h SER 85 CO 0.57 0.15 -0.67 -0.44 -0.87 0.00 0.00 176.83 175.58 2k49 s SER 86 N -5.87 0.25 0.24 4.97 0.01 -1.26 -4.94 113.70 107.09 2k49 s SER 86 Ca 0.02 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 56.72 2k49 s SER 86 Cb 0.08 0.13 0.26 0.00 0.21 0.00 0.00 66.02 66.70 2k49 s SER 86 CO 0.74 -0.36 1.68 0.71 0.41 0.00 0.00 173.24 176.42 2k49 h THR 87 N 4.37 1.26 -0.32 1.44 1.35 -1.93 -2.91 112.91 116.17 2k49 h THR 87 Ca -0.32 -1.24 0.07 0.00 -0.55 0.00 0.00 66.41 64.36 2k49 h THR 87 Cb 1.20 1.16 -0.07 0.00 -1.73 0.00 0.00 68.15 68.71 2k49 h THR 87 CO 0.45 0.42 -0.11 0.00 -0.25 0.00 0.00 175.52 176.03 2k49 h ALA 88 N 1.16 0.17 -0.67 6.62 0.00 -2.00 -0.41 119.26 124.14 2k49 h ALA 88 Ca 0.10 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2k49 h ALA 88 Cb 0.65 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2k49 h ALA 88 CO 0.05 -0.49 0.44 0.00 0.00 0.00 0.00 179.25 179.25 2k49 h ALA 89 N 1.26 1.61 -0.32 0.00 0.00 -1.96 0.03 119.26 119.88 2k49 h ALA 89 Ca 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2k49 h ALA 89 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2k49 h ALA 89 CO -0.35 0.32 0.21 -0.09 0.00 0.00 0.00 179.25 179.34 2k49 h ARG 90 N 0.81 0.42 -0.25 0.00 1.12 -0.93 0.10 114.38 115.66 2k49 h ARG 90 Ca 0.27 -0.03 -0.18 0.00 -1.11 0.00 0.00 59.98 58.93 2k49 h ARG 90 Cb 0.05 -0.09 -0.00 0.00 -0.01 0.00 0.00 29.97 29.91 2k49 h ARG 90 CO -0.07 0.28 -0.55 -0.44 -3.11 0.00 0.00 179.97 176.08 2k49 h ASP 91 N 0.43 0.83 -0.94 -3.80 3.32 -0.79 -2.46 116.42 113.02 2k49 h ASP 91 Ca 0.12 -0.44 0.04 0.00 0.02 0.00 0.00 57.03 56.76 2k49 h ASP 91 Cb -0.05 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.21 2k49 h ASP 91 CO -0.03 1.21 0.61 0.78 -1.72 0.00 0.00 179.24 180.09 2k49 h ASN 92 N 0.57 1.01 0.17 6.45 2.35 -0.79 -1.42 115.58 123.94 2k49 h ASN 92 Ca 0.01 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 2k49 h ASN 92 Cb 1.13 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 39.25 2k49 h ASN 92 CO 0.11 0.69 -0.18 1.23 -1.65 0.00 0.00 177.43 177.64 2k49 h GLY 93 N 1.18 -0.37 0.33 2.83 0.00 -0.65 -0.94 103.07 105.45 2k49 h GLY 93 Ca 0.38 0.20 0.10 0.00 0.00 0.00 0.00 47.33 48.01 2k49 h GLY 93 CO -0.12 -0.17 0.21 -2.22 0.00 0.00 0.00 176.54 174.24 2k49 h ILE 94 N -0.38 0.74 -0.53 2.60 2.04 -1.01 0.18 117.51 121.15 2k49 h ILE 94 Ca 0.00 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.77 2k49 h ILE 94 Cb 0.36 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2k49 h ILE 94 CO -0.05 0.07 0.29 0.11 0.00 0.00 0.00 178.15 178.57 2k49 h LYS 95 N 0.38 0.55 -0.96 2.37 1.57 -1.13 -1.80 116.57 117.54 2k49 h LYS 95 Ca 0.32 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 59.07 2k49 h LYS 95 Cb 0.42 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.55 2k49 h LYS 95 CO -0.33 0.36 0.62 0.77 -0.57 0.00 0.00 179.45 180.30 2k49 h SER 96 N 0.57 1.12 0.85 0.86 0.02 0.35 -2.50 113.55 114.81 2k49 h SER 96 Ca 0.23 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.10 2k49 h SER 96 Cb 0.10 -0.28 0.01 0.00 0.14 0.00 0.00 62.40 62.37 2k49 h SER 96 CO -0.14 0.83 -0.41 0.58 -1.14 0.00 0.00 176.83 176.55 2k49 h VAL 97 N 1.31 0.12 -0.80 2.27 2.07 -0.06 -1.56 116.25 119.61 2k49 h VAL 97 Ca 0.35 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.91 2k49 h VAL 97 Cb -0.12 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 29.73 2k49 h VAL 97 CO -0.07 0.00 0.52 0.00 0.02 0.00 0.00 177.57 178.04 2k49 h MET 98 N -1.20 0.68 0.00 1.57 -0.00 -1.31 0.43 114.93 115.10 2k49 h MET 98 Ca -0.12 -0.04 -0.10 0.00 -0.00 0.00 0.00 59.70 59.45 2k49 h MET 98 Cb 0.88 -0.15 -0.01 0.00 -0.00 0.00 0.00 31.60 32.31 2k49 h MET 98 CO 0.19 0.45 -0.46 0.93 -0.00 0.00 0.00 176.91 178.02 2k49 h GLU 99 N 0.70 0.00 0.00 -0.10 4.39 -1.36 -3.04 114.58 115.17 2k49 h GLU 99 Ca 0.37 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.97 2k49 h GLU 99 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 2k49 h GLU 99 CO -0.15 0.46 -0.92 -0.91 -1.16 0.00 0.00 179.01 176.34 2k49 h ASN 100 N 0.00 0.00 0.00 1.42 2.35 0.26 -3.38 115.58 116.24 2k49 h ASN 100 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 2k49 h ASN 100 Cb 0.87 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.24 2k49 h ASN 100 CO 0.06 0.39 0.00 0.61 -1.65 0.00 0.00 177.43 176.84 2k49 n GLY 101 N 1.27 0.32 0.07 2.83 0.00 0.12 -1.55 105.19 108.26 2k49 n GLY 101 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.94 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 0.09 0.93 -2.31 1.61 4.01 -1.26 -4.29 118.16 116.94 2k49 n LYS 102 Ca 0.00 -0.05 -0.41 0.00 -0.51 0.00 0.00 58.31 57.35 2k49 n LYS 102 Cb 0.07 -1.47 -0.03 0.00 -0.51 0.00 0.00 35.03 33.09 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2k49 s THR 103 N -2.64 3.21 -1.34 -0.18 -1.32 -0.60 -4.93 115.64 107.85 2k49 s THR 103 Ca -0.09 1.15 0.19 0.00 -1.21 0.00 0.00 61.69 61.73 2k49 s THR 103 Cb 0.07 -3.73 0.62 0.00 -1.51 0.00 0.00 72.50 67.95 2k49 s THR 103 CO 0.76 0.25 1.53 0.35 -2.21 0.00 0.00 174.62 175.30 2k49 n THR 104 N 1.47 1.45 -2.07 5.08 -2.24 -1.26 -4.90 114.28 111.80 2k49 n THR 104 Ca 0.01 -1.14 -0.28 0.00 -2.27 0.00 0.00 64.05 60.38 2k49 n THR 104 Cb 0.43 0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 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 -1.48 3.49 -0.48 4.28 2.01 -1.26 -4.92 115.64 117.28 2k49 s THR 105 Ca 0.46 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.73 2k49 s THR 105 Cb 0.27 -4.21 0.07 0.00 0.01 0.00 0.00 72.50 68.64 2k49 s THR 105 CO 0.25 -0.99 0.46 -0.63 -0.69 0.00 0.00 174.62 173.02 2k49 s ILE 106 N 10.20 5.13 -0.67 1.82 -1.09 -1.26 -1.77 121.20 133.56 2k49 s ILE 106 Ca 0.69 -0.90 -0.27 0.00 -2.23 0.00 0.00 60.65 57.94 2k49 s ILE 106 Cb -0.05 -4.17 0.00 0.00 -1.58 0.00 0.00 42.46 36.66 2k49 s ILE 106 CO 0.03 -0.64 1.59 -0.54 -1.23 0.00 0.00 174.94 174.15 2k49 s LYS 107 N 1.92 2.89 -0.81 2.79 1.02 0.13 -4.94 119.74 122.74 2k49 s LYS 107 Ca 0.07 0.20 -0.25 0.00 0.02 0.00 0.00 55.97 56.01 2k49 s LYS 107 Cb -0.23 -4.29 0.01 0.00 -0.52 0.00 0.00 37.83 32.79 2k49 s LYS 107 CO 0.08 -2.46 1.61 0.34 -0.92 0.00 0.00 175.35 174.01 2k49 s ASP 108 N 6.04 5.79 0.00 2.83 -1.08 -1.26 -1.22 116.67 127.77 2k49 s ASP 108 Ca 0.52 -0.54 0.22 0.00 -0.52 0.00 0.00 52.55 52.23 2k49 s ASP 108 Cb -0.10 -2.55 0.51 0.00 -1.46 0.00 0.00 42.92 39.31 2k49 s ASP 108 CO 0.18 -2.09 1.45 0.18 0.52 0.00 0.00 175.17 175.40 2k49 n LEU 109 N 11.12 3.35 0.14 -1.34 4.77 0.78 -4.31 117.00 131.51 2k49 n LEU 109 Ca 0.23 -1.51 0.07 0.00 -0.03 0.00 0.00 56.01 54.76 2k49 n LEU 109 Cb 0.50 -0.30 0.05 0.00 -2.33 0.00 0.00 43.42 41.34 2k49 n LEU 109 CO 0.67 0.76 0.36 0.71 -1.33 0.00 0.00 177.39 178.56 2k49 h THR 110 N 4.12 0.36 0.00 -5.08 1.35 -1.82 -3.31 112.91 108.53 2k49 h THR 110 Ca 0.00 -1.56 0.00 0.00 -0.55 0.00 0.00 66.41 64.30 2k49 h THR 110 Cb 0.92 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.38 2k49 h THR 110 CO 0.00 0.20 0.00 0.18 -0.25 0.00 0.00 175.52 175.65 2k49 n LEU 111 N -3.02 0.00 -3.63 3.87 4.77 -1.26 -4.79 117.00 112.94 2k49 n LEU 111 Ca 0.00 0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 56.31 2k49 n LEU 111 Cb 0.65 -0.43 -0.03 0.00 -2.33 0.00 0.00 43.42 41.28 2k49 n LEU 111 CO 0.39 -0.23 0.31 -1.83 -1.33 0.00 0.00 177.39 174.70 2k49 s GLU 112 N -2.86 1.34 -1.07 3.23 -1.05 -1.24 -5.09 118.70 111.96 2k49 s GLU 112 Ca 0.09 -0.73 -0.16 0.00 -0.15 0.00 0.00 54.97 54.02 2k49 s GLU 112 Cb 0.09 0.54 0.15 0.00 -0.44 0.00 0.00 34.13 34.48 2k49 s GLU 112 CO 0.24 -0.57 1.28 -1.58 0.95 0.00 0.00 175.26 175.58 2k49 s HIS 113 N -3.83 3.32 0.37 4.83 5.65 -1.26 -4.90 115.29 119.46 2k49 s HIS 113 Ca 0.06 -1.77 -0.27 0.00 0.25 0.00 0.00 55.06 53.32 2k49 s HIS 113 Cb -0.01 -4.30 -0.09 0.00 -1.18 0.00 0.00 32.58 27.00 2k49 s HIS 113 CO -0.07 -1.44 1.27 -3.38 -0.65 0.00 0.00 174.74 170.48 2k49 s HIS 114 N 2.11 2.99 -0.09 3.88 -3.43 -1.26 -4.97 115.29 114.51 2k49 s HIS 114 Ca 0.38 1.45 -0.30 0.00 -0.80 0.00 0.00 55.06 55.79 2k49 s HIS 114 Cb -0.04 -3.61 -0.02 0.00 -1.43 0.00 0.00 32.58 27.48 2k49 s HIS 114 CO -0.05 -1.79 1.10 -1.01 -2.00 0.00 0.00 174.74 170.99 2k49 s HIS 115 N -1.24 3.36 -0.28 0.38 3.76 -1.26 -5.02 115.29 115.00 2k49 s HIS 115 Ca 0.53 1.41 -0.11 0.00 -0.15 0.00 0.00 55.06 56.75 2k49 s HIS 115 Cb -0.37 -3.30 0.11 0.00 1.11 0.00 0.00 32.58 30.13 2k49 s HIS 115 CO 0.48 -0.74 0.61 -1.58 -0.85 0.00 0.00 174.74 172.67 2k49 s HIS 116 N 2.16 -1.18 -0.04 1.40 5.04 -1.26 -5.03 115.29 116.37 2k49 s HIS 116 Ca 0.52 2.13 0.06 0.00 -1.54 0.00 0.00 55.06 56.23 2k49 s HIS 116 Cb -0.21 0.68 0.10 0.00 0.04 0.00 0.00 32.58 33.19 2k49 s HIS 116 CO 0.19 -0.60 1.05 -2.39 -2.34 0.00 0.00 174.74 170.65 2k49 n HIS 117 N 5.18 0.00 0.25 3.88 1.44 -1.26 -5.31 115.22 119.41 2k49 n HIS 117 Ca -0.13 -0.33 0.03 0.00 -2.01 0.00 0.00 57.72 55.28 2k49 n HIS 117 Cb 0.51 -0.08 0.03 0.00 0.12 0.00 0.00 29.99 30.56 2k49 n HIS 117 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25