#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 6.86 0.00 3.17 0.01 -1.26 -3.83 113.70 118.65 2k49 s SER 2 Ca 0.00 1.89 0.00 0.00 1.31 0.00 0.00 55.95 59.15 2k49 s SER 2 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2k49 s SER 2 CO 0.00 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.84 2k49 n GLY 3 N 0.05 2.78 3.60 3.44 0.00 -1.26 -4.04 105.19 109.75 2k49 n GLY 3 Ca 0.06 -2.12 -0.06 0.00 0.00 0.00 0.00 46.02 43.90 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 0.85 -0.25 -0.02 1.61 -2.14 -1.00 -4.81 118.94 113.17 2k49 s TRP 4 Ca 0.00 0.06 -0.00 0.00 2.66 0.00 0.00 56.10 58.82 2k49 s TRP 4 Cb 0.00 0.57 -0.04 0.00 -3.10 0.00 0.00 33.47 30.90 2k49 s TRP 4 CO 0.00 -0.61 0.03 0.71 -2.66 0.00 0.00 176.95 174.43 2k49 s TYR 5 N -3.11 3.18 -0.11 1.66 1.51 0.16 -0.73 117.35 119.91 2k49 s TYR 5 Ca 0.08 0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 56.30 2k49 s TYR 5 Cb -0.01 -1.72 0.02 0.00 -0.11 0.00 0.00 41.96 40.14 2k49 s TYR 5 CO -0.05 0.50 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.60 2k49 s GLU 6 N -1.48 1.61 -0.30 -0.62 2.02 -0.19 -0.36 118.70 119.37 2k49 s GLU 6 Ca 0.19 -0.29 -0.13 0.00 0.02 0.00 0.00 54.97 54.76 2k49 s GLU 6 Cb -0.12 -1.62 -0.03 0.00 0.10 0.00 0.00 34.13 32.46 2k49 s GLU 6 CO 0.10 -0.24 0.26 -1.17 0.02 0.00 0.00 175.26 174.23 2k49 s LEU 7 N 1.60 4.23 0.23 1.80 2.96 -0.07 -0.68 118.68 128.76 2k49 s LEU 7 Ca 0.03 -0.10 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 2k49 s LEU 7 Cb -0.13 -2.22 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 2k49 s LEU 7 CO -0.07 -0.17 -0.01 -0.94 -1.32 0.00 0.00 176.35 173.84 2k49 s SER 8 N 1.73 4.59 0.02 3.68 1.04 -0.06 -0.03 113.70 124.67 2k49 s SER 8 Ca 0.09 -0.56 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2k49 s SER 8 Cb -0.16 -0.89 -0.03 0.00 0.10 0.00 0.00 66.02 65.03 2k49 s SER 8 CO 0.11 0.03 -0.08 -0.75 0.98 0.00 0.00 173.24 173.53 2k49 s LYS 9 N -3.40 2.45 0.60 4.02 2.20 -1.26 -0.24 119.74 124.11 2k49 s LYS 9 Ca 0.30 -0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 55.10 2k49 s LYS 9 Cb -0.07 -2.45 0.04 0.00 -1.51 0.00 0.00 37.83 33.84 2k49 s LYS 9 CO 0.19 0.58 0.86 0.45 -0.36 0.00 0.00 175.35 177.08 2k49 s SER 10 N -1.54 5.17 0.37 1.43 0.15 0.54 -4.96 113.70 114.88 2k49 s SER 10 Ca 0.18 0.24 0.27 0.00 0.70 0.00 0.00 55.95 57.33 2k49 s SER 10 Cb -0.11 -1.07 1.29 0.00 -1.71 0.00 0.00 66.02 64.42 2k49 s SER 10 CO 0.08 -1.27 1.82 0.77 1.20 0.00 0.00 173.24 175.84 2k49 h SER 11 N -0.17 0.00 -0.42 5.45 4.64 -2.01 0.95 113.55 122.00 2k49 h SER 11 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2k49 h SER 11 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2k49 h SER 11 CO 0.56 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 177.11 2k49 n ASN 12 N -2.47 2.35 -1.27 4.97 3.02 -1.26 -4.90 115.26 115.70 2k49 n ASN 12 Ca -0.00 -2.03 -0.17 0.00 -0.03 0.00 0.00 54.58 52.35 2k49 n ASN 12 Cb 0.15 -0.30 -0.07 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.72 -5.25 -4.72 6.41 9.92 0.33 -4.99 116.55 118.98 2k49 n ASP 13 Ca 0.14 0.41 -0.39 0.00 -0.53 0.00 0.00 54.79 54.42 2k49 n ASP 13 Cb 0.38 -4.20 -0.05 0.00 -0.64 0.00 0.00 41.12 36.61 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2k49 s GLN 14 N -3.37 4.39 0.20 -1.24 -0.21 -1.25 -4.80 119.66 113.37 2k49 s GLN 14 Ca 0.00 0.69 -0.18 0.00 0.02 0.00 0.00 55.36 55.89 2k49 s GLN 14 Cb 0.00 -3.44 -0.08 0.00 1.00 0.00 0.00 33.01 30.49 2k49 s GLN 14 CO 0.00 0.11 0.68 -0.06 -2.12 0.00 0.00 175.29 173.90 2k49 s PHE 15 N 0.70 3.64 -0.14 0.91 0.40 0.41 -0.34 117.98 123.57 2k49 s PHE 15 Ca 0.32 1.31 -0.06 0.00 -0.60 0.00 0.00 56.93 57.91 2k49 s PHE 15 Cb -0.17 -2.56 0.07 0.00 0.51 0.00 0.00 43.02 40.87 2k49 s PHE 15 CO 0.15 0.37 0.30 -1.59 0.70 0.00 0.00 175.22 175.15 2k49 s LYS 16 N -1.94 0.21 0.11 0.44 -2.85 0.66 0.69 119.74 117.07 2k49 s LYS 16 Ca 0.41 0.77 0.05 0.00 -1.00 0.00 0.00 55.97 56.20 2k49 s LYS 16 Cb -0.16 0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.59 2k49 s LYS 16 CO 0.20 -0.25 0.04 -0.59 0.10 0.00 0.00 175.35 174.85 2k49 s PHE 17 N 2.18 3.03 0.17 1.78 -0.12 -1.26 -0.88 117.98 122.87 2k49 s PHE 17 Ca -0.02 -0.02 0.09 0.00 -0.05 0.00 0.00 56.93 56.93 2k49 s PHE 17 Cb -0.11 -1.52 -0.04 0.00 -0.63 0.00 0.00 43.02 40.71 2k49 s PHE 17 CO -0.10 0.50 -0.19 0.14 -0.05 0.00 0.00 175.22 175.52 2k49 s VAL 18 N -1.46 1.92 -0.19 -2.49 -7.23 0.15 -2.25 120.40 108.85 2k49 s VAL 18 Ca 0.27 -1.92 -0.03 0.00 -1.81 0.00 0.00 61.98 58.50 2k49 s VAL 18 Cb -0.11 -1.88 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 2k49 s VAL 18 CO 0.20 -0.27 -0.08 -0.22 -0.31 0.00 0.00 175.10 174.42 2k49 s LEU 19 N -2.63 2.79 -0.06 1.32 2.96 0.36 -1.02 118.68 122.40 2k49 s LEU 19 Ca 0.16 -0.39 -0.11 0.00 -0.22 0.00 0.00 54.13 53.57 2k49 s LEU 19 Cb -0.06 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 2k49 s LEU 19 CO 0.07 0.03 0.29 -0.54 -1.32 0.00 0.00 176.35 174.89 2k49 s LYS 20 N 1.15 3.74 0.97 1.98 3.01 0.09 -1.81 119.74 128.86 2k49 s LYS 20 Ca 0.01 0.17 -0.16 0.00 -1.01 0.00 0.00 55.97 54.99 2k49 s LYS 20 Cb -0.14 -3.22 0.21 0.00 -1.01 0.00 0.00 37.83 33.66 2k49 s LYS 20 CO -0.02 0.70 1.33 0.00 0.51 0.00 0.00 175.35 177.87 2k49 s ALA 21 N -0.97 2.23 0.65 5.17 0.00 -0.01 -2.38 121.76 126.45 2k49 s ALA 21 Ca 0.20 -1.25 0.34 0.00 0.00 0.00 0.00 51.96 51.24 2k49 s ALA 21 Cb -0.15 -2.75 1.85 0.00 0.00 0.00 0.00 23.12 22.07 2k49 s ALA 21 CO 0.09 -2.48 2.07 0.78 0.00 0.00 0.00 175.76 176.23 2k49 h GLY 22 N -1.66 0.00 -1.56 0.00 0.00 -1.70 0.94 103.07 99.08 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 0.36 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.06 2k49 n ASN 23 N -3.15 2.59 0.00 0.19 6.94 -1.26 -4.70 115.26 115.86 2k49 n ASN 23 Ca -0.01 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.70 2k49 n ASN 23 Cb 0.30 -0.13 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k49 n GLY 24 N 1.32 0.42 3.82 4.83 0.00 0.32 -5.05 105.19 110.87 2k49 n GLY 24 Ca 0.17 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.65 3.94 -0.22 1.61 2.12 -1.26 -4.78 118.70 118.46 2k49 s GLU 25 Ca 0.00 0.37 -0.27 0.00 0.36 0.00 0.00 54.97 55.43 2k49 s GLU 25 Cb 0.00 -3.25 -0.00 0.00 0.26 0.00 0.00 34.13 31.14 2k49 s GLU 25 CO 0.00 0.63 0.93 0.08 -0.54 0.00 0.00 175.26 176.36 2k49 s VAL 26 N -0.85 4.77 -0.14 3.70 1.01 -1.26 -0.83 120.40 126.81 2k49 s VAL 26 Ca 0.23 1.81 0.01 0.00 0.00 0.00 0.00 61.98 64.02 2k49 s VAL 26 Cb -0.16 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.91 2k49 s VAL 26 CO 0.12 -0.10 -0.13 2.30 0.00 0.00 0.00 175.10 177.30 2k49 n ILE 27 N 5.15 0.79 -4.47 2.22 -5.35 -0.75 -4.96 119.36 112.00 2k49 n ILE 27 Ca 0.08 -0.30 -0.29 0.00 -0.27 0.00 0.00 62.75 61.98 2k49 n ILE 27 Cb 0.47 -1.02 -0.17 0.00 -1.74 0.00 0.00 39.64 37.19 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 -5.85 1.74 -0.21 7.28 2.01 -1.25 -4.30 118.68 118.10 2k49 s LEU 28 Ca -0.19 -0.44 -0.00 0.00 0.01 0.00 0.00 54.13 53.51 2k49 s LEU 28 Cb 0.05 -1.11 0.06 0.00 0.01 0.00 0.00 46.19 45.20 2k49 s LEU 28 CO 0.32 0.02 -0.03 -0.89 1.01 0.00 0.00 176.35 176.78 2k49 s THR 29 N 0.98 1.20 0.68 5.49 2.01 1.00 -0.49 115.64 126.50 2k49 s THR 29 Ca -0.07 -0.96 -0.09 0.00 0.31 0.00 0.00 61.69 60.88 2k49 s THR 29 Cb -0.15 -1.52 0.03 0.00 0.01 0.00 0.00 72.50 70.87 2k49 s THR 29 CO -0.02 -0.10 1.02 -0.55 -0.69 0.00 0.00 174.62 174.28 2k49 s SER 30 N 1.55 5.26 0.87 3.53 0.15 -0.95 -3.11 113.70 121.00 2k49 s SER 30 Ca -0.04 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2k49 s SER 30 Cb -0.18 -1.61 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 2k49 s SER 30 CO -0.07 -1.36 0.00 -0.62 1.20 0.00 0.00 173.24 172.39 2k49 n GLU 31 N -2.88 0.06 -2.32 5.44 4.71 -1.26 -4.50 120.64 119.90 2k49 n GLU 31 Ca 0.06 0.00 -0.35 0.00 -0.01 0.00 0.00 57.16 56.86 2k49 n GLU 31 Cb 0.58 0.00 -0.01 0.00 -1.01 0.00 0.00 31.44 31.01 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k49 s LEU 32 N 0.00 3.83 0.01 -4.62 1.43 -1.26 -4.49 118.68 113.57 2k49 s LEU 32 Ca 0.00 2.15 0.05 0.00 -1.03 0.00 0.00 54.13 55.30 2k49 s LEU 32 Cb 0.00 -4.50 -0.02 0.00 0.03 0.00 0.00 46.19 41.70 2k49 s LEU 32 CO 0.00 -1.06 -0.15 -0.31 0.23 0.00 0.00 176.35 175.05 2k49 s TYR 33 N -1.76 1.38 0.15 0.29 1.51 0.22 -4.91 117.35 114.22 2k49 s TYR 33 Ca 0.70 -0.29 -0.17 0.00 -1.01 0.00 0.00 57.07 56.30 2k49 s TYR 33 Cb -0.23 -0.86 0.02 0.00 -0.11 0.00 0.00 41.96 40.77 2k49 s TYR 33 CO 0.27 0.00 1.78 1.79 -1.11 0.00 0.00 175.55 178.29 2k49 h THR 34 N 4.66 1.01 -3.86 -0.71 1.35 -1.92 0.12 112.91 113.56 2k49 h THR 34 Ca -0.37 -0.13 -0.22 0.00 -0.55 0.00 0.00 66.41 65.14 2k49 h THR 34 Cb 1.16 0.59 -0.15 0.00 -1.73 0.00 0.00 68.15 68.02 2k49 h THR 34 CO 0.47 0.07 -0.70 -0.83 -0.25 0.00 0.00 175.52 174.28 2k49 s GLY 35 N -2.58 0.72 0.32 5.82 0.00 -1.26 -4.67 107.32 105.67 2k49 s GLY 35 Ca -0.13 -1.29 0.00 0.00 0.00 0.00 0.00 44.72 43.31 2k49 s GLY 35 CO 0.71 -1.39 1.98 1.70 0.00 0.00 0.00 173.10 176.10 2k49 h LYS 36 N 3.12 0.93 -0.59 2.90 3.64 -1.92 -2.27 116.57 122.38 2k49 h LYS 36 Ca -0.35 -0.07 0.08 0.00 -1.27 0.00 0.00 60.65 59.04 2k49 h LYS 36 Cb 1.17 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.72 2k49 h LYS 36 CO 0.63 0.63 0.24 1.03 -2.27 0.00 0.00 179.45 179.71 2k49 h SER 37 N 0.96 0.27 -0.51 4.20 0.87 -1.99 0.86 113.55 118.22 2k49 h SER 37 Ca 0.26 0.06 -0.10 0.00 -1.23 0.00 0.00 61.79 60.78 2k49 h SER 37 Cb -0.08 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 61.89 2k49 h SER 37 CO -0.05 0.17 -0.06 1.23 -0.53 0.00 0.00 176.83 177.59 2k49 h GLY 38 N 0.44 1.05 0.90 5.77 0.00 -1.85 -0.55 103.07 108.83 2k49 h GLY 38 Ca 0.29 -0.79 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2k49 h GLY 38 CO -0.26 0.73 0.09 0.00 0.00 0.00 0.00 176.54 177.10 2k49 h ALA 39 N 1.04 0.38 0.05 3.60 0.00 -0.94 0.11 119.26 123.49 2k49 h ALA 39 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 39 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k49 h ALA 39 CO 0.04 0.01 -0.02 0.52 0.00 0.00 0.00 179.25 179.80 2k49 h MET 40 N 0.31 -0.06 -0.93 0.00 2.86 -0.79 -0.71 114.93 115.62 2k49 h MET 40 Ca 0.09 0.00 0.19 0.00 -2.06 0.00 0.00 59.70 57.93 2k49 h MET 40 Cb 0.24 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 31.83 2k49 h MET 40 CO -0.00 -0.00 0.60 -0.97 1.06 0.00 0.00 176.91 177.59 2k49 h ASN 41 N -0.10 0.55 -0.65 1.22 -1.24 -1.00 0.23 115.58 114.59 2k49 h ASN 41 Ca -0.01 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 2k49 h ASN 41 Cb 0.09 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 39.06 2k49 h ASN 41 CO 0.01 0.23 0.30 1.23 -1.29 0.00 0.00 177.43 177.91 2k49 h GLY 42 N 0.55 1.02 0.84 1.57 0.00 0.03 -1.18 103.07 105.90 2k49 h GLY 42 Ca 0.49 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 2k49 h GLY 42 CO -0.23 0.49 -0.07 -2.22 0.00 0.00 0.00 176.54 174.51 2k49 h ILE 43 N 0.90 0.95 -0.80 2.60 2.04 0.85 0.12 117.51 124.17 2k49 h ILE 43 Ca 0.22 -0.35 0.13 0.00 1.00 0.00 0.00 64.86 65.87 2k49 h ILE 43 Cb 0.14 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.30 2k49 h ILE 43 CO -0.03 0.08 0.39 -0.33 0.00 0.00 0.00 178.15 178.27 2k49 h GLU 44 N -0.35 0.57 -0.54 2.37 3.07 -1.13 -0.25 114.58 118.32 2k49 h GLU 44 Ca -0.02 -0.03 0.01 0.00 -0.50 0.00 0.00 59.36 58.82 2k49 h GLU 44 Cb 0.28 -0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 28.03 2k49 h GLU 44 CO 0.03 0.37 0.35 0.77 -1.40 0.00 0.00 179.01 179.13 2k49 h SER 45 N 0.58 0.59 -0.67 1.42 0.02 -0.79 -1.94 113.55 112.76 2k49 h SER 45 Ca 0.43 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.39 2k49 h SER 45 Cb 0.59 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.94 2k49 h SER 45 CO -0.35 0.43 0.42 0.58 -1.14 0.00 0.00 176.83 176.77 2k49 h VAL 46 N 0.71 1.10 -0.75 2.27 2.07 0.53 0.13 116.25 122.31 2k49 h VAL 46 Ca 0.20 -0.29 0.07 0.00 0.82 0.00 0.00 66.70 67.51 2k49 h VAL 46 Cb -0.06 0.20 -0.05 0.00 -1.52 0.00 0.00 31.29 29.86 2k49 h VAL 46 CO -0.06 0.15 0.49 1.56 0.02 0.00 0.00 177.57 179.74 2k49 h GLN 47 N 0.83 0.73 -0.05 1.57 4.20 -0.73 0.30 115.11 121.96 2k49 h GLN 47 Ca 0.26 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.81 2k49 h GLN 47 Cb -0.00 -0.17 0.01 0.00 0.30 0.00 0.00 27.48 27.62 2k49 h GLN 47 CO -0.10 0.48 -0.43 1.15 -0.67 0.00 0.00 178.83 179.27 2k49 h THR 48 N 0.75 1.42 0.00 -0.54 2.02 -0.47 -3.36 112.91 112.74 2k49 h THR 48 Ca 0.33 -1.86 -0.20 0.00 0.77 0.00 0.00 66.41 65.44 2k49 h THR 48 Cb 0.31 2.41 -0.03 0.00 -1.74 0.00 0.00 68.15 69.11 2k49 h THR 48 CO -0.12 0.54 -0.96 0.78 0.37 0.00 0.00 175.52 176.13 2k49 h ASN 49 N -0.11 0.00 -0.35 4.18 2.35 -0.47 -3.38 115.58 117.80 2k49 h ASN 49 Ca -0.04 0.00 0.07 0.00 -0.55 0.00 0.00 56.30 55.79 2k49 h ASN 49 Cb 1.11 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.40 2k49 h ASN 49 CO 0.09 0.96 -0.15 -1.28 -1.65 0.00 0.00 177.43 175.40 2k49 h SER 50 N 0.00 -0.52 0.25 5.81 0.87 -0.55 0.29 113.55 119.70 2k49 h SER 50 Ca -0.01 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2k49 h SER 50 Cb 1.74 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 63.99 2k49 h SER 50 CO 0.12 -0.19 0.00 -0.81 -0.53 0.00 0.00 176.83 175.43 2k49 n PRO 51 N -5.33 0.38 -3.50 2.24 -0.04 -1.26 -4.46 135.00 123.02 2k49 n PRO 51 Ca 0.01 0.07 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 2k49 n PRO 51 Cb 0.25 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.40 4.56 0.50 0.52 1.01 0.09 -4.95 121.20 120.54 2k49 s ILE 52 Ca 0.22 -2.07 0.16 0.00 0.00 0.00 0.00 60.65 58.96 2k49 s ILE 52 Cb 0.13 -3.94 0.30 0.00 0.01 0.00 0.00 42.46 38.96 2k49 s ILE 52 CO 0.27 -0.86 2.08 -0.33 0.00 0.00 0.00 174.94 176.11 2k49 h GLU 53 N 8.16 0.13 0.00 2.79 5.08 -1.78 -1.40 114.58 127.56 2k49 h GLU 53 Ca -0.13 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 2k49 h GLU 53 Cb 1.05 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2k49 h GLU 53 CO 0.84 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.94 2k49 n ALA 54 N -2.55 1.52 1.01 3.43 0.00 -1.26 -2.23 120.51 120.43 2k49 n ALA 54 Ca 0.02 -0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.53 2k49 n ALA 54 Cb 0.23 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 2k49 n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k49 n ARG 55 N -1.35 0.31 -1.83 0.00 5.12 -0.53 -5.00 116.66 113.38 2k49 n ARG 55 Ca 0.04 -0.24 -0.24 0.00 -1.93 0.00 0.00 57.85 55.47 2k49 n ARG 55 Cb 0.08 -1.49 0.16 0.00 -1.16 0.00 0.00 32.46 30.04 2k49 n ARG 55 CO 0.00 0.00 0.00 2.48 -1.93 0.00 0.00 177.63 178.18 2k49 n TYR 56 N -1.13 -3.72 -3.30 -1.55 0.18 -0.95 -2.75 117.16 103.93 2k49 n TYR 56 Ca 0.06 -1.16 -0.09 0.00 1.88 0.00 0.00 57.90 58.59 2k49 n TYR 56 Cb 0.36 -0.82 -0.06 0.00 -0.38 0.00 0.00 39.34 38.45 2k49 n TYR 56 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2k49 s ALA 57 N -3.74 -1.21 -0.27 -3.48 0.00 0.12 -4.82 121.76 108.36 2k49 s ALA 57 Ca 0.63 0.20 -0.07 0.00 0.00 0.00 0.00 51.96 52.72 2k49 s ALA 57 Cb -0.02 -2.09 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 2k49 s ALA 57 CO 0.44 -1.77 0.08 -1.59 0.00 0.00 0.00 175.76 172.91 2k49 s LYS 58 N 2.52 3.41 0.17 0.00 -2.85 -1.26 -0.39 119.74 121.33 2k49 s LYS 58 Ca 0.10 -0.65 0.03 0.00 -1.00 0.00 0.00 55.97 54.45 2k49 s LYS 58 Cb -0.12 -3.35 -0.01 0.00 -2.06 0.00 0.00 37.83 32.29 2k49 s LYS 58 CO -0.30 -0.30 0.12 0.39 0.10 0.00 0.00 175.35 175.36 2k49 n GLU 59 N 4.90 0.36 -4.68 1.78 1.02 -0.40 -5.00 120.64 118.63 2k49 n GLU 59 Ca -0.15 -1.64 -0.25 0.00 -0.02 0.00 0.00 57.16 55.10 2k49 n GLU 59 Cb 0.50 1.21 -0.16 0.00 -0.02 0.00 0.00 31.44 32.97 2k49 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k49 s VAL 60 N -2.55 1.22 0.55 2.62 1.01 -1.26 -1.02 120.40 120.96 2k49 s VAL 60 Ca 0.17 -0.58 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 2k49 s VAL 60 Cb 0.01 -1.07 -0.05 0.00 0.00 0.00 0.00 36.38 35.26 2k49 s VAL 60 CO 0.12 0.36 1.16 0.00 0.00 0.00 0.00 175.10 176.74 2k49 s ALA 61 N 0.24 2.69 0.43 5.51 0.00 0.25 -4.86 121.76 126.01 2k49 s ALA 61 Ca -0.07 0.89 0.21 0.00 0.00 0.00 0.00 51.96 52.99 2k49 s ALA 61 Cb -0.12 -3.39 1.16 0.00 0.00 0.00 0.00 23.12 20.77 2k49 s ALA 61 CO 0.02 -0.86 1.80 -0.22 0.00 0.00 0.00 175.76 176.50 2k49 h LYS 62 N 1.22 0.33 -0.92 0.00 3.64 -2.01 0.32 116.57 119.14 2k49 h LYS 62 Ca -0.50 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 58.77 2k49 h LYS 62 Cb 1.27 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.96 2k49 h LYS 62 CO 0.57 0.22 0.11 -1.71 -2.27 0.00 0.00 179.45 176.37 2k49 n ASN 63 N -4.53 2.96 -2.78 4.20 5.15 -1.26 -4.85 115.26 114.14 2k49 n ASN 63 Ca 0.23 -2.44 -0.16 0.00 -0.60 0.00 0.00 54.58 51.61 2k49 n ASN 63 Cb 0.87 -0.59 0.06 0.00 -0.53 0.00 0.00 39.78 39.59 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k49 n ASP 64 N 0.08 -4.03 -4.16 1.20 8.00 0.11 -5.01 116.55 112.73 2k49 n ASP 64 Ca 0.15 -0.42 -0.39 0.00 0.71 0.00 0.00 54.79 54.84 2k49 n ASP 64 Cb 0.74 -3.87 -0.08 0.00 -0.02 0.00 0.00 41.12 37.89 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k49 s LYS 65 N -5.60 2.62 0.13 -1.24 3.01 -1.14 -4.86 119.74 112.65 2k49 s LYS 65 Ca 0.27 -2.25 -0.31 0.00 -1.01 0.00 0.00 55.97 52.67 2k49 s LYS 65 Cb -0.12 -3.86 -0.08 0.00 -1.01 0.00 0.00 37.83 32.76 2k49 s LYS 65 CO 0.54 -1.18 1.40 -1.25 0.51 0.00 0.00 175.35 175.37 2k49 s PRO 66 N 0.46 4.31 0.26 -1.68 0.04 -1.23 -0.59 135.00 136.57 2k49 s PRO 66 Ca 0.13 2.11 -0.05 0.00 0.04 0.00 0.00 61.00 63.23 2k49 s PRO 66 Cb -0.20 -3.23 -0.02 0.00 0.04 0.00 0.00 34.50 31.09 2k49 s PRO 66 CO -0.04 -0.44 0.34 1.52 0.04 0.00 0.00 177.00 178.42 2k49 s TYR 67 N 1.03 0.90 -0.10 0.56 1.13 -0.19 -1.84 117.35 118.84 2k49 s TYR 67 Ca 0.65 -1.15 -0.06 0.00 -1.41 0.00 0.00 57.07 55.10 2k49 s TYR 67 Cb -0.38 -0.20 0.04 0.00 -1.10 0.00 0.00 41.96 40.32 2k49 s TYR 67 CO 0.31 -0.89 0.24 -0.59 -2.51 0.00 0.00 175.55 172.11 2k49 s PHE 68 N -3.82 -0.31 0.21 -3.49 -0.71 -1.26 -1.27 117.98 107.32 2k49 s PHE 68 Ca 0.31 0.75 0.07 0.00 -1.04 0.00 0.00 56.93 57.02 2k49 s PHE 68 Cb 0.02 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.85 2k49 s PHE 68 CO 0.14 -0.21 0.08 -0.80 -1.34 0.00 0.00 175.22 173.09 2k49 s ASN 69 N 1.02 5.09 -0.15 1.98 -0.87 0.47 -1.57 114.94 120.90 2k49 s ASN 69 Ca -0.07 -0.34 0.02 0.00 -1.57 0.00 0.00 52.86 50.89 2k49 s ASN 69 Cb -0.09 -1.18 0.01 0.00 -0.02 0.00 0.00 41.25 39.97 2k49 s ASN 69 CO -0.07 0.04 -0.20 -0.22 -2.57 0.00 0.00 177.10 174.08 2k49 s LEU 70 N -3.33 2.21 -0.06 0.60 2.96 0.59 0.14 118.68 121.79 2k49 s LEU 70 Ca 0.30 -0.58 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 2k49 s LEU 70 Cb -0.09 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2k49 s LEU 70 CO 0.21 0.07 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.55 2k49 s LYS 71 N 0.88 2.61 1.13 1.98 1.02 -1.11 -1.35 119.74 124.91 2k49 s LYS 71 Ca -0.05 -0.86 -0.18 0.00 0.02 0.00 0.00 55.97 54.90 2k49 s LYS 71 Cb -0.15 -2.23 0.26 0.00 -0.52 0.00 0.00 37.83 35.18 2k49 s LYS 71 CO -0.03 0.40 1.16 0.00 -0.92 0.00 0.00 175.35 175.97 2k49 s ALA 72 N -0.20 1.06 0.25 5.17 0.00 -0.33 -4.77 121.76 122.94 2k49 s ALA 72 Ca -0.02 -0.99 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 2k49 s ALA 72 Cb -0.13 -2.87 0.51 0.00 0.00 0.00 0.00 23.12 20.62 2k49 s ALA 72 CO 0.03 -3.25 1.73 0.00 0.00 0.00 0.00 175.76 174.28 2k49 h ALA 73 N -2.30 1.15 0.00 0.00 0.00 -1.97 0.33 119.26 116.47 2k49 h ALA 73 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k49 h ALA 73 Cb 1.28 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2k49 h ALA 73 CO 0.37 -0.20 0.00 -1.71 0.00 0.00 0.00 179.25 177.70 2k49 n ASN 74 N -4.98 0.00 -0.69 0.00 5.15 -1.26 -4.83 115.26 108.65 2k49 n ASN 74 Ca 0.16 -1.41 -0.08 0.00 -0.60 0.00 0.00 54.58 52.65 2k49 n ASN 74 Cb 0.45 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.68 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 -0.59 -0.13 -3.35 1.20 8.25 0.12 -5.02 115.22 115.69 2k49 n HIS 75 Ca 0.03 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.16 2k49 n HIS 75 Cb 0.02 -1.77 -0.06 0.00 1.12 0.00 0.00 29.99 29.30 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 -3.25 3.92 -0.27 -0.41 -2.07 -1.25 -4.78 119.66 111.55 2k49 s GLN 76 Ca 0.00 0.44 -0.29 0.00 -1.82 0.00 0.00 55.36 53.69 2k49 s GLN 76 Cb 0.00 -2.78 -0.01 0.00 -1.09 0.00 0.00 33.01 29.12 2k49 s GLN 76 CO 0.00 0.39 1.52 0.42 -1.32 0.00 0.00 175.29 176.30 2k49 s ILE 77 N -1.64 3.82 -0.30 3.63 -1.09 -1.26 -1.19 121.20 123.18 2k49 s ILE 77 Ca 0.43 0.91 0.08 0.00 -2.23 0.00 0.00 60.65 59.84 2k49 s ILE 77 Cb -0.13 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.78 2k49 s ILE 77 CO 0.20 -0.40 0.30 2.30 -1.23 0.00 0.00 174.94 176.10 2k49 n ILE 78 N 6.50 0.00 -3.70 2.92 -5.35 -0.45 -4.88 119.36 114.41 2k49 n ILE 78 Ca 0.18 -0.30 -0.14 0.00 -0.27 0.00 0.00 62.75 62.22 2k49 n ILE 78 Cb 0.46 0.88 -0.09 0.00 -1.74 0.00 0.00 39.64 39.15 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 -1.93 -0.36 -0.07 3.28 0.00 -0.69 -4.68 107.32 102.87 2k49 s GLY 79 Ca 0.02 1.25 -0.03 0.00 0.00 0.00 0.00 44.72 45.96 2k49 s GLY 79 CO 0.31 1.04 0.10 -1.59 0.00 0.00 0.00 173.10 172.97 2k49 s THR 80 N -0.07 -0.17 0.77 0.90 2.01 -1.18 -0.30 115.64 117.60 2k49 s THR 80 Ca -0.03 0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.21 2k49 s THR 80 Cb -0.03 -0.26 0.09 0.00 0.01 0.00 0.00 72.50 72.30 2k49 s THR 80 CO 0.02 0.11 1.09 -0.55 -0.69 0.00 0.00 174.62 174.60 2k49 s SER 81 N 2.21 4.47 0.34 3.53 0.15 -0.61 -0.00 113.70 123.79 2k49 s SER 81 Ca 0.04 0.44 0.01 0.00 0.70 0.00 0.00 55.95 57.14 2k49 s SER 81 Cb -0.13 -0.95 -0.03 0.00 -1.71 0.00 0.00 66.02 63.20 2k49 s SER 81 CO -0.05 -1.85 0.54 0.00 1.20 0.00 0.00 173.24 173.08 2k49 s GLN 82 N -5.41 3.47 -0.60 5.44 0.00 -1.26 -4.70 119.66 116.61 2k49 s GLN 82 Ca 0.63 -0.37 -0.26 0.00 -0.00 0.00 0.00 55.36 55.36 2k49 s GLN 82 Cb -0.09 -2.68 -0.04 0.00 0.00 0.00 0.00 33.01 30.20 2k49 s GLN 82 CO 0.47 0.16 2.04 -1.64 0.00 0.00 0.00 175.29 176.32 2k49 s MET 83 N -4.30 2.44 0.70 9.60 -1.94 -1.26 -4.54 119.30 120.00 2k49 s MET 83 Ca 0.40 0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 55.05 2k49 s MET 83 Cb -0.10 -4.49 0.01 0.00 2.01 0.00 0.00 34.83 32.26 2k49 s MET 83 CO 0.36 -2.98 1.06 0.71 -0.01 0.00 0.00 175.02 174.16 2k49 s TYR 84 N 10.21 3.17 0.02 -0.03 2.02 -0.77 -4.91 117.35 127.06 2k49 s TYR 84 Ca 0.77 1.31 -0.11 0.00 -0.37 0.00 0.00 57.07 58.67 2k49 s TYR 84 Cb -0.14 -2.91 -0.33 0.00 -0.40 0.00 0.00 41.96 38.18 2k49 s TYR 84 CO 0.21 -1.24 0.94 0.77 -1.57 0.00 0.00 175.55 174.66 2k49 h SER 85 N -0.71 0.68 -4.10 2.29 0.02 -1.89 -3.26 113.55 106.57 2k49 h SER 85 Ca -0.45 -0.80 -0.62 0.00 -0.84 0.00 0.00 61.79 59.08 2k49 h SER 85 Cb 1.22 -0.22 -0.23 0.00 0.14 0.00 0.00 62.40 63.31 2k49 h SER 85 CO 0.59 1.64 -0.85 -0.44 -1.14 0.00 0.00 176.83 176.63 2k49 s SER 86 N -7.39 2.88 0.23 3.07 0.01 -1.26 -4.84 113.70 106.40 2k49 s SER 86 Ca -0.10 -0.68 -0.05 0.00 1.31 0.00 0.00 55.95 56.43 2k49 s SER 86 Cb 0.05 -0.19 0.21 0.00 0.21 0.00 0.00 66.02 66.31 2k49 s SER 86 CO 0.91 0.13 1.72 0.71 0.41 0.00 0.00 173.24 177.12 2k49 h THR 87 N 4.05 1.25 -0.65 1.44 1.35 -1.92 -2.66 112.91 115.77 2k49 h THR 87 Ca -0.48 -1.02 0.06 0.00 -0.55 0.00 0.00 66.41 64.42 2k49 h THR 87 Cb 1.17 0.75 -0.05 0.00 -1.73 0.00 0.00 68.15 68.28 2k49 h THR 87 CO 0.40 0.37 0.36 0.00 -0.25 0.00 0.00 175.52 176.40 2k49 h ALA 88 N 1.15 0.86 -0.83 6.62 0.00 -1.99 -1.91 119.26 123.16 2k49 h ALA 88 Ca 0.18 0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.18 2k49 h ALA 88 Cb 0.45 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.05 2k49 h ALA 88 CO 0.02 0.03 0.50 0.00 0.00 0.00 0.00 179.25 179.80 2k49 h ALA 89 N 1.34 1.16 -0.55 0.00 0.00 -1.90 0.21 119.26 119.52 2k49 h ALA 89 Ca 0.29 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.24 2k49 h ALA 89 Cb 0.18 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2k49 h ALA 89 CO -0.18 0.18 0.33 -0.09 0.00 0.00 0.00 179.25 179.49 2k49 h ARG 90 N 0.87 0.62 -0.59 0.00 2.43 -1.16 -1.82 114.38 114.73 2k49 h ARG 90 Ca 0.38 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.45 2k49 h ARG 90 Cb 0.26 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 2k49 h ARG 90 CO -0.21 0.41 0.11 0.22 -1.51 0.00 0.00 179.97 178.99 2k49 h ASP 91 N 0.64 0.90 -0.92 -3.80 3.58 -0.52 -2.07 116.42 114.22 2k49 h ASP 91 Ca 0.23 -0.19 0.03 0.00 0.42 0.00 0.00 57.03 57.51 2k49 h ASP 91 Cb 0.04 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 40.81 2k49 h ASP 91 CO -0.11 0.89 0.60 0.78 -2.88 0.00 0.00 179.24 178.53 2k49 h ASN 92 N 0.90 1.01 -0.79 2.28 2.35 -0.62 -1.06 115.58 119.65 2k49 h ASN 92 Ca 0.19 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 55.95 2k49 h ASN 92 Cb 0.38 -0.24 -0.05 0.00 0.05 0.00 0.00 38.32 38.46 2k49 h ASN 92 CO 0.01 0.71 0.51 1.23 -1.65 0.00 0.00 177.43 178.23 2k49 h GLY 93 N 1.18 1.15 0.94 2.83 0.00 -0.74 -1.48 103.07 106.95 2k49 h GLY 93 Ca 0.36 -0.38 0.01 0.00 0.00 0.00 0.00 47.33 47.31 2k49 h GLY 93 CO -0.11 0.33 0.15 -2.22 0.00 0.00 0.00 176.54 174.70 2k49 h ILE 94 N 0.99 1.03 -0.57 2.60 2.04 -0.65 -0.96 117.51 121.99 2k49 h ILE 94 Ca 0.32 -0.11 0.08 0.00 1.00 0.00 0.00 64.86 66.14 2k49 h ILE 94 Cb 0.01 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 36.71 2k49 h ILE 94 CO -0.11 0.06 0.23 0.11 0.00 0.00 0.00 178.15 178.44 2k49 h LYS 95 N 0.32 0.42 -0.43 2.37 1.57 -0.98 -2.03 116.57 117.80 2k49 h LYS 95 Ca 0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2k49 h LYS 95 Cb -0.00 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 2k49 h LYS 95 CO -0.05 0.28 0.17 0.77 -0.57 0.00 0.00 179.45 180.04 2k49 h SER 96 N 0.43 0.60 -0.12 0.86 0.02 -0.82 -2.29 113.55 112.24 2k49 h SER 96 Ca 0.28 -0.17 -0.08 0.00 -0.84 0.00 0.00 61.79 60.98 2k49 h SER 96 Cb 0.29 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2k49 h SER 96 CO -0.26 0.61 -0.22 1.62 -1.14 0.00 0.00 176.83 177.45 2k49 h VAL 97 N 0.56 1.38 -0.29 2.27 3.04 -1.00 0.79 116.25 123.00 2k49 h VAL 97 Ca 0.14 -1.49 0.00 0.00 -1.01 0.00 0.00 66.70 64.35 2k49 h VAL 97 Cb 0.20 2.07 -0.01 0.00 -2.01 0.00 0.00 31.29 31.54 2k49 h VAL 97 CO -0.01 0.43 0.20 0.00 -1.01 0.00 0.00 177.57 177.18 2k49 h MET 98 N -0.07 0.38 0.11 4.17 -0.00 -1.40 0.43 114.93 118.55 2k49 h MET 98 Ca 0.01 -0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 2k49 h MET 98 Cb 0.81 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.32 2k49 h MET 98 CO 0.05 0.25 -0.05 1.49 -0.00 0.00 0.00 176.91 178.65 2k49 h GLU 99 N 0.39 -0.14 -0.41 -0.10 4.57 -1.36 -3.36 114.58 114.18 2k49 h GLU 99 Ca 0.11 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.30 2k49 h GLU 99 Cb -0.04 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2k49 h GLU 99 CO -0.02 0.24 0.00 0.09 -1.18 0.00 0.00 179.01 178.14 2k49 n ASN 100 N -4.84 1.50 -0.70 1.04 3.02 0.27 -3.84 115.26 111.72 2k49 n ASN 100 Ca -0.06 -2.08 0.03 0.00 -0.03 0.00 0.00 54.58 52.45 2k49 n ASN 100 Cb 0.22 -0.26 0.12 0.00 -0.61 0.00 0.00 39.78 39.24 2k49 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k49 n GLY 101 N 0.65 1.07 0.20 7.41 0.00 0.15 -3.55 105.19 111.12 2k49 n GLY 101 Ca 0.07 -0.27 0.06 0.00 0.00 0.00 0.00 46.02 45.88 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 0.19 2.22 -2.49 1.61 5.02 -1.25 -4.33 118.16 119.14 2k49 n LYS 102 Ca 0.08 -0.48 -0.42 0.00 -2.02 0.00 0.00 58.31 55.47 2k49 n LYS 102 Cb 0.38 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 34.21 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 -1.78 4.10 -2.47 -0.18 -1.32 -1.23 -4.93 115.64 107.82 2k49 s THR 103 Ca 0.09 1.60 0.23 0.00 -1.21 0.00 0.00 61.69 62.39 2k49 s THR 103 Cb 0.10 -4.02 0.42 0.00 -1.51 0.00 0.00 72.50 67.49 2k49 s THR 103 CO 0.38 0.17 1.43 0.35 -2.21 0.00 0.00 174.62 174.74 2k49 n THR 104 N 3.42 0.40 -2.41 5.08 -2.24 -1.26 -4.84 114.28 112.43 2k49 n THR 104 Ca 0.06 -0.64 -0.43 0.00 -2.27 0.00 0.00 64.05 60.78 2k49 n THR 104 Cb 0.47 0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 69.55 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 -1.60 3.97 -0.23 4.28 2.01 -1.26 -5.00 115.64 117.81 2k49 s THR 105 Ca 0.37 0.98 0.01 0.00 0.31 0.00 0.00 61.69 63.36 2k49 s THR 105 Cb 0.21 -4.31 0.04 0.00 0.01 0.00 0.00 72.50 68.45 2k49 s THR 105 CO 0.30 -0.84 -0.13 -0.63 -0.69 0.00 0.00 174.62 172.63 2k49 s ILE 106 N 5.24 2.25 -0.22 1.82 1.01 -1.26 -0.66 121.20 129.39 2k49 s ILE 106 Ca 0.58 -1.28 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 2k49 s ILE 106 Cb -0.12 -2.16 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 2k49 s ILE 106 CO 0.32 0.22 0.65 -0.54 0.00 0.00 0.00 174.94 175.59 2k49 s LYS 107 N 1.21 4.18 -0.43 2.79 1.02 0.51 -4.97 119.74 124.06 2k49 s LYS 107 Ca -0.02 0.62 -0.29 0.00 0.02 0.00 0.00 55.97 56.30 2k49 s LYS 107 Cb -0.17 -3.60 0.02 0.00 -0.52 0.00 0.00 37.83 33.56 2k49 s LYS 107 CO -0.08 -0.31 1.24 0.34 -0.92 0.00 0.00 175.35 175.62 2k49 s ASP 108 N 1.29 6.56 0.00 2.83 -1.08 -1.26 -0.89 116.67 124.12 2k49 s ASP 108 Ca 0.28 0.70 0.23 0.00 -0.52 0.00 0.00 52.55 53.24 2k49 s ASP 108 Cb -0.16 -2.55 0.54 0.00 -1.46 0.00 0.00 42.92 39.30 2k49 s ASP 108 CO 0.10 -1.27 1.47 0.18 0.52 0.00 0.00 175.17 176.17 2k49 n LEU 109 N 8.08 3.73 0.04 -1.34 4.77 0.95 -4.40 117.00 128.83 2k49 n LEU 109 Ca 0.14 -1.78 -0.03 0.00 -0.03 0.00 0.00 56.01 54.30 2k49 n LEU 109 Cb 0.48 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 41.11 2k49 n LEU 109 CO 0.70 0.88 -0.13 0.71 -1.33 0.00 0.00 177.39 178.21 2k49 h THR 110 N 4.33 0.88 0.41 -5.08 1.35 -1.89 -3.38 112.91 109.52 2k49 h THR 110 Ca 0.00 -2.48 -0.02 0.00 -0.55 0.00 0.00 66.41 63.36 2k49 h THR 110 Cb 0.98 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 69.76 2k49 h THR 110 CO 0.00 0.50 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.50 2k49 h LEU 111 N 0.00 -0.47 -7.54 3.87 3.38 -1.93 -3.48 115.31 109.15 2k49 h LEU 111 Ca -0.14 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2k49 h LEU 111 Cb 1.69 0.12 -0.16 0.00 0.09 0.00 0.00 40.66 42.41 2k49 h LEU 111 CO 0.07 -0.06 -0.21 -1.83 0.09 0.00 0.00 178.44 176.50 2k49 s GLU 112 N -3.35 0.88 -0.25 1.13 -1.05 -1.26 -5.13 118.70 109.67 2k49 s GLU 112 Ca -0.08 -0.60 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 2k49 s GLU 112 Cb 0.01 0.38 0.01 0.00 -0.44 0.00 0.00 34.13 34.09 2k49 s GLU 112 CO 0.24 -0.30 1.05 -1.01 0.95 0.00 0.00 175.26 176.19 2k49 s HIS 113 N -3.01 3.30 -0.11 4.83 3.76 -1.26 -4.73 115.29 118.07 2k49 s HIS 113 Ca -0.02 1.41 -0.30 0.00 -0.15 0.00 0.00 55.06 56.01 2k49 s HIS 113 Cb 0.01 -3.35 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 2k49 s HIS 113 CO -0.06 -0.55 1.02 -1.01 -0.85 0.00 0.00 174.74 173.29 2k49 s HIS 114 N 3.29 3.48 -0.02 1.40 0.09 -1.26 -4.96 115.29 117.31 2k49 s HIS 114 Ca 0.44 1.56 -0.02 0.00 -0.00 0.00 0.00 55.06 57.04 2k49 s HIS 114 Cb -0.15 -3.21 -0.01 0.00 -0.00 0.00 0.00 32.58 29.22 2k49 s HIS 114 CO 0.08 -0.32 -0.04 0.72 -0.00 0.00 0.00 174.74 175.18 2k49 n HIS 115 N 5.09 0.00 -2.86 1.40 8.25 -1.26 -4.95 115.22 120.89 2k49 n HIS 115 Ca 0.09 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.13 2k49 n HIS 115 Cb 0.48 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.50 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 -1.23 3.27 -0.05 4.41 5.65 -1.26 -5.02 115.29 121.05 2k49 s HIS 116 Ca -0.03 1.08 -0.02 0.00 0.25 0.00 0.00 55.06 56.34 2k49 s HIS 116 Cb 0.00 -3.18 0.04 0.00 -1.18 0.00 0.00 32.58 28.26 2k49 s HIS 116 CO 0.05 -0.49 0.09 -1.58 -0.65 0.00 0.00 174.74 172.16 2k49 s HIS 117 N 2.98 -0.04 -2.00 3.88 2.46 -1.26 -5.28 115.29 116.03 2k49 s HIS 117 Ca 0.36 0.37 0.25 0.00 0.47 0.00 0.00 55.06 56.51 2k49 s HIS 117 Cb -0.15 -0.33 1.51 0.00 -0.13 0.00 0.00 32.58 33.48 2k49 s HIS 117 CO 0.09 -0.20 1.87 1.58 -2.47 0.00 0.00 174.74 175.61