#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 0.34 0.00 7.83 7.64 -1.26 -4.79 113.62 123.38 2k49 n SER 2 Ca 0.00 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.45 2k49 n SER 2 Cb 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2k49 n SER 2 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k49 n GLY 3 N 0.08 0.67 3.61 0.23 0.00 -1.26 -4.19 105.19 104.33 2k49 n GLY 3 Ca 0.10 -1.91 -0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.95 -0.28 -0.04 1.61 -2.14 -0.75 -4.80 118.94 110.58 2k49 s TRP 4 Ca 0.00 0.05 0.01 0.00 2.66 0.00 0.00 56.10 58.81 2k49 s TRP 4 Cb 0.00 0.59 -0.03 0.00 -3.10 0.00 0.00 33.47 30.93 2k49 s TRP 4 CO 0.00 -0.74 -0.02 0.71 -2.66 0.00 0.00 176.95 174.23 2k49 s TYR 5 N -3.32 3.04 -0.21 1.66 1.51 -0.45 -2.28 117.35 117.29 2k49 s TYR 5 Ca 0.08 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2k49 s TYR 5 Cb -0.02 -1.71 0.05 0.00 -0.11 0.00 0.00 41.96 40.18 2k49 s TYR 5 CO -0.04 0.42 -0.09 -1.21 -1.11 0.00 0.00 175.55 173.52 2k49 s GLU 6 N -1.16 1.90 -0.24 -0.62 2.02 -0.82 -0.38 118.70 119.38 2k49 s GLU 6 Ca 0.16 -0.87 -0.13 0.00 0.02 0.00 0.00 54.97 54.14 2k49 s GLU 6 Cb -0.11 -2.44 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2k49 s GLU 6 CO 0.05 -0.47 0.29 -1.17 0.02 0.00 0.00 175.26 173.98 2k49 s LEU 7 N 1.40 4.09 0.11 1.80 2.96 -0.10 -1.50 118.68 127.44 2k49 s LEU 7 Ca -0.02 0.26 0.06 0.00 -0.22 0.00 0.00 54.13 54.20 2k49 s LEU 7 Cb -0.17 -2.31 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 2k49 s LEU 7 CO -0.08 -0.06 -0.15 -0.55 -1.32 0.00 0.00 176.35 174.19 2k49 s SER 8 N 1.32 2.01 -0.09 3.68 0.15 0.21 0.16 113.70 121.14 2k49 s SER 8 Ca 0.13 -0.76 -0.11 0.00 0.70 0.00 0.00 55.95 55.91 2k49 s SER 8 Cb -0.15 -0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.04 2k49 s SER 8 CO 0.08 -0.10 0.27 -0.75 1.20 0.00 0.00 173.24 173.94 2k49 s LYS 9 N -2.38 3.80 0.72 5.44 2.20 -1.26 -0.82 119.74 127.44 2k49 s LYS 9 Ca 0.06 0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.74 2k49 s LYS 9 Cb -0.07 -3.25 0.10 0.00 -1.51 0.00 0.00 37.83 33.09 2k49 s LYS 9 CO 0.03 0.63 1.01 0.45 -0.36 0.00 0.00 175.35 177.10 2k49 s SER 10 N -0.71 4.52 0.04 1.43 0.15 0.43 -4.95 113.70 114.62 2k49 s SER 10 Ca 0.18 0.09 0.09 0.00 0.70 0.00 0.00 55.95 57.01 2k49 s SER 10 Cb -0.14 -0.61 0.40 0.00 -1.71 0.00 0.00 66.02 63.96 2k49 s SER 10 CO 0.07 -1.75 1.28 -1.54 1.20 0.00 0.00 173.24 172.50 2k49 n SER 11 N -2.90 0.09 -1.10 5.45 3.41 -1.26 -1.18 113.62 116.13 2k49 n SER 11 Ca 0.11 0.53 0.08 0.00 -0.26 0.00 0.00 58.87 59.34 2k49 n SER 11 Cb 0.60 -0.55 0.26 0.00 -0.26 0.00 0.00 64.21 64.27 2k49 n SER 11 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2k49 n ASN 12 N -1.61 3.86 0.00 4.04 6.94 -1.26 -4.95 115.26 122.28 2k49 n ASN 12 Ca 0.01 -2.33 0.00 0.00 -0.02 0.00 0.00 54.58 52.24 2k49 n ASN 12 Cb 0.08 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.06 2k49 n ASN 12 CO 0.00 0.00 0.00 -0.67 -1.03 0.00 0.00 177.26 175.56 2k49 n ASP 13 N 0.70 -3.59 -4.89 0.53 2.03 -0.32 -5.02 116.55 105.98 2k49 n ASP 13 Ca 0.20 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.22 2k49 n ASP 13 Cb 0.69 -1.34 -0.02 0.00 -0.72 0.00 0.00 41.12 39.74 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 3.67 -0.09 -0.67 -0.21 -1.26 -4.82 119.66 115.71 2k49 s GLN 14 Ca 0.00 0.36 -0.04 0.00 0.02 0.00 0.00 55.36 55.70 2k49 s GLN 14 Cb 0.00 -2.38 -0.04 0.00 1.00 0.00 0.00 33.01 31.59 2k49 s GLN 14 CO 0.00 -0.12 0.07 -0.06 -2.12 0.00 0.00 175.29 173.06 2k49 s PHE 15 N -2.54 3.36 -0.09 0.91 0.08 -0.78 -0.42 117.98 118.49 2k49 s PHE 15 Ca 0.50 0.33 -0.04 0.00 0.12 0.00 0.00 56.93 57.83 2k49 s PHE 15 Cb -0.10 -1.84 0.04 0.00 -0.57 0.00 0.00 43.02 40.55 2k49 s PHE 15 CO 0.38 0.59 0.22 -1.59 -0.10 0.00 0.00 175.22 174.71 2k49 s LYS 16 N -1.07 0.17 0.16 0.44 -2.85 0.00 -0.14 119.74 116.45 2k49 s LYS 16 Ca 0.15 0.48 0.10 0.00 -1.00 0.00 0.00 55.97 55.71 2k49 s LYS 16 Cb -0.12 -0.14 -0.04 0.00 -2.06 0.00 0.00 37.83 35.47 2k49 s LYS 16 CO 0.05 -0.17 -0.19 -0.59 0.10 0.00 0.00 175.35 174.55 2k49 s PHE 17 N 1.25 2.46 0.04 1.78 -0.12 -1.26 -0.62 117.98 121.51 2k49 s PHE 17 Ca -0.09 -0.30 0.06 0.00 -0.05 0.00 0.00 56.93 56.56 2k49 s PHE 17 Cb -0.11 -1.26 -0.02 0.00 -0.63 0.00 0.00 43.02 41.00 2k49 s PHE 17 CO -0.08 0.44 -0.18 0.14 -0.05 0.00 0.00 175.22 175.49 2k49 s VAL 18 N -1.42 1.48 -0.24 -2.49 -7.23 -0.56 -1.85 120.40 108.08 2k49 s VAL 18 Ca 0.20 -1.13 -0.08 0.00 -1.81 0.00 0.00 61.98 59.16 2k49 s VAL 18 Cb -0.09 -1.30 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 2k49 s VAL 18 CO 0.11 0.14 0.10 -0.22 -0.31 0.00 0.00 175.10 174.91 2k49 s LEU 19 N -1.16 3.65 0.01 1.32 2.96 -0.31 -1.95 118.68 123.19 2k49 s LEU 19 Ca 0.06 -0.10 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 2k49 s LEU 19 Cb -0.08 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 2k49 s LEU 19 CO 0.02 0.00 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.28 2k49 s LYS 20 N 1.41 1.71 1.09 1.98 1.02 -0.97 -1.69 119.74 124.30 2k49 s LYS 20 Ca 0.06 -0.89 -0.17 0.00 0.02 0.00 0.00 55.97 54.98 2k49 s LYS 20 Cb -0.15 -1.74 0.24 0.00 -0.52 0.00 0.00 37.83 35.67 2k49 s LYS 20 CO 0.05 0.46 1.19 0.00 -0.92 0.00 0.00 175.35 176.13 2k49 s ALA 21 N -0.64 1.27 0.46 5.17 0.00 -0.60 -1.82 121.76 125.60 2k49 s ALA 21 Ca 0.09 -1.00 0.36 0.00 0.00 0.00 0.00 51.96 51.40 2k49 s ALA 21 Cb -0.09 -2.86 1.94 0.00 0.00 0.00 0.00 23.12 22.11 2k49 s ALA 21 CO 0.00 -3.08 2.09 0.78 0.00 0.00 0.00 175.76 175.55 2k49 h GLY 22 N -2.17 0.00 0.06 0.00 0.00 -1.90 0.45 103.07 99.52 2k49 h GLY 22 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 2k49 h GLY 22 CO 0.38 0.00 -0.18 1.16 0.00 0.00 0.00 176.54 177.90 2k49 n ASN 23 N -2.82 1.14 0.00 0.19 6.94 -1.26 -4.84 115.26 114.61 2k49 n ASN 23 Ca -0.02 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 2k49 n ASN 23 Cb 0.13 0.09 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 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 1.29 0.74 3.74 4.83 0.00 0.15 -5.05 105.19 110.89 2k49 n GLY 24 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.42 4.48 -0.13 1.61 2.12 -1.26 -4.80 118.70 120.31 2k49 s GLU 25 Ca 0.00 1.04 -0.29 0.00 0.36 0.00 0.00 54.97 56.07 2k49 s GLU 25 Cb 0.00 -3.39 -0.01 0.00 0.26 0.00 0.00 34.13 30.99 2k49 s GLU 25 CO 0.00 0.21 1.05 0.08 -0.54 0.00 0.00 175.26 176.06 2k49 s VAL 26 N 0.22 4.68 -0.13 3.70 1.01 -1.26 -1.56 120.40 127.06 2k49 s VAL 26 Ca 0.39 1.97 0.03 0.00 0.00 0.00 0.00 61.98 64.37 2k49 s VAL 26 Cb -0.20 -4.27 -0.10 0.00 0.00 0.00 0.00 36.38 31.82 2k49 s VAL 26 CO 0.22 -0.04 -0.08 2.30 0.00 0.00 0.00 175.10 177.50 2k49 n ILE 27 N 4.74 0.77 -4.92 2.22 -5.35 -0.68 -4.93 119.36 111.20 2k49 n ILE 27 Ca 0.10 -0.34 -0.26 0.00 -0.27 0.00 0.00 62.75 61.98 2k49 n ILE 27 Cb 0.48 -0.92 -0.15 0.00 -1.74 0.00 0.00 39.64 37.31 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 -5.55 2.05 -0.14 7.28 2.01 -1.13 -3.91 118.68 119.29 2k49 s LEU 28 Ca -0.15 -0.36 -0.02 0.00 0.01 0.00 0.00 54.13 53.60 2k49 s LEU 28 Cb 0.04 -1.00 0.05 0.00 0.01 0.00 0.00 46.19 45.29 2k49 s LEU 28 CO 0.35 0.23 0.03 -0.89 1.01 0.00 0.00 176.35 177.08 2k49 s THR 29 N -0.48 0.39 0.90 5.49 2.01 0.18 -1.16 115.64 122.96 2k49 s THR 29 Ca 0.07 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 2k49 s THR 29 Cb -0.08 -0.77 0.19 0.00 0.01 0.00 0.00 72.50 71.86 2k49 s THR 29 CO -0.01 -0.02 1.23 -0.55 -0.69 0.00 0.00 174.62 174.58 2k49 s SER 30 N 1.94 3.37 0.07 3.53 0.15 -0.77 -3.15 113.70 118.84 2k49 s SER 30 Ca 0.02 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.59 2k49 s SER 30 Cb -0.15 -0.00 0.00 0.00 -1.71 0.00 0.00 66.02 64.16 2k49 s SER 30 CO -0.07 -2.54 0.00 -1.84 1.20 0.00 0.00 173.24 169.99 2k49 n GLU 31 N -3.49 0.96 -2.83 5.44 0.28 -1.26 -4.67 120.64 115.08 2k49 n GLU 31 Ca 0.17 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.74 2k49 n GLU 31 Cb 0.60 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.43 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 4.05 0.55 -1.84 1.43 -1.26 -4.26 118.68 117.35 2k49 s LEU 32 Ca 0.00 -0.18 -0.09 0.00 -1.03 0.00 0.00 54.13 52.83 2k49 s LEU 32 Cb 0.00 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 2k49 s LEU 32 CO 0.00 -1.17 0.92 -0.31 0.23 0.00 0.00 176.35 176.02 2k49 s TYR 33 N 3.91 3.58 -0.15 0.29 1.51 0.81 -4.83 117.35 122.46 2k49 s TYR 33 Ca 0.33 1.11 -0.18 0.00 -1.01 0.00 0.00 57.07 57.31 2k49 s TYR 33 Cb -0.12 -2.55 -0.16 0.00 -0.11 0.00 0.00 41.96 39.03 2k49 s TYR 33 CO 0.22 -0.48 0.31 1.79 -1.11 0.00 0.00 175.55 176.28 2k49 h THR 34 N 0.06 0.92 -3.13 -0.71 1.35 -1.95 -2.07 112.91 107.38 2k49 h THR 34 Ca -0.45 -1.85 -0.64 0.00 -0.55 0.00 0.00 66.41 62.92 2k49 h THR 34 Cb 1.19 1.90 -0.08 0.00 -1.73 0.00 0.00 68.15 69.43 2k49 h THR 34 CO 0.62 0.31 -0.58 -0.83 -0.25 0.00 0.00 175.52 174.79 2k49 s GLY 35 N -4.30 2.05 0.21 5.82 0.00 -1.26 -4.72 107.32 105.12 2k49 s GLY 35 Ca -0.18 -0.97 -0.10 0.00 0.00 0.00 0.00 44.72 43.47 2k49 s GLY 35 CO 0.46 -0.94 1.88 1.70 0.00 0.00 0.00 173.10 176.21 2k49 h LYS 36 N 3.33 1.03 -0.89 2.90 3.64 -1.97 -1.90 116.57 122.71 2k49 h LYS 36 Ca -0.47 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 2k49 h LYS 36 Cb 1.16 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.69 2k49 h LYS 36 CO 0.67 0.69 0.56 1.03 -2.27 0.00 0.00 179.45 180.13 2k49 h SER 37 N 1.06 0.88 -0.54 4.20 0.87 -1.99 -1.11 113.55 116.92 2k49 h SER 37 Ca 0.29 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2k49 h SER 37 Cb -0.12 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 2k49 h SER 37 CO -0.06 0.56 0.24 1.23 -0.53 0.00 0.00 176.83 178.28 2k49 h GLY 38 N 1.02 0.85 0.97 5.77 0.00 -1.78 0.12 103.07 110.01 2k49 h GLY 38 Ca 0.39 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 2k49 h GLY 38 CO -0.17 0.41 0.09 0.00 0.00 0.00 0.00 176.54 176.87 2k49 h ALA 39 N 1.08 0.19 -0.40 3.60 0.00 -0.87 -1.19 119.26 121.67 2k49 h ALA 39 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k49 h ALA 39 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k49 h ALA 39 CO -0.02 -0.30 0.25 0.52 0.00 0.00 0.00 179.25 179.69 2k49 h MET 40 N 0.16 0.54 -0.82 0.00 2.86 -1.11 -2.12 114.93 114.45 2k49 h MET 40 Ca 0.05 -0.05 0.16 0.00 -2.06 0.00 0.00 59.70 57.80 2k49 h MET 40 Cb 0.03 -0.12 -0.10 0.00 0.06 0.00 0.00 31.60 31.47 2k49 h MET 40 CO -0.01 0.40 0.37 -0.97 1.06 0.00 0.00 176.91 177.75 2k49 h ASN 41 N 0.53 0.37 -0.67 1.22 -0.73 -0.53 0.23 115.58 116.00 2k49 h ASN 41 Ca 0.14 0.11 0.02 0.00 1.87 0.00 0.00 56.30 58.44 2k49 h ASN 41 Cb -0.01 0.07 -0.04 0.00 0.27 0.00 0.00 38.32 38.61 2k49 h ASN 41 CO -0.03 0.12 0.43 1.23 -0.37 0.00 0.00 177.43 178.82 2k49 h GLY 42 N 0.50 0.95 0.84 1.57 0.00 -0.76 -0.97 103.07 105.19 2k49 h GLY 42 Ca 0.46 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.45 2k49 h GLY 42 CO -0.42 0.31 0.03 -2.22 0.00 0.00 0.00 176.54 174.24 2k49 h ILE 43 N 0.86 1.16 -0.93 2.60 2.04 -0.03 -0.77 117.51 122.44 2k49 h ILE 43 Ca 0.26 -0.47 0.08 0.00 1.00 0.00 0.00 64.86 65.73 2k49 h ILE 43 Cb -0.05 1.34 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 2k49 h ILE 43 CO -0.08 0.13 0.58 -0.33 0.00 0.00 0.00 178.15 178.46 2k49 h GLU 44 N -0.06 0.98 -0.81 2.37 5.08 -0.81 -1.37 114.58 119.96 2k49 h GLU 44 Ca 0.02 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 2k49 h GLU 44 Cb 0.19 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2k49 h GLU 44 CO -0.00 0.65 0.33 0.77 -1.00 0.00 0.00 179.01 179.76 2k49 h SER 45 N 1.01 1.11 -0.27 1.42 0.02 -0.83 -1.31 113.55 114.70 2k49 h SER 45 Ca 0.43 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2k49 h SER 45 Cb 0.27 -0.29 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2k49 h SER 45 CO -0.21 0.97 0.16 0.58 -1.14 0.00 0.00 176.83 177.19 2k49 h VAL 46 N 1.18 1.03 -0.83 2.27 2.07 -0.12 0.24 116.25 122.09 2k49 h VAL 46 Ca 0.27 -0.11 0.08 0.00 0.82 0.00 0.00 66.70 67.76 2k49 h VAL 46 Cb 0.20 0.68 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 2k49 h VAL 46 CO -0.02 0.06 0.54 1.56 0.02 0.00 0.00 177.57 179.72 2k49 h GLN 47 N 0.32 0.84 0.00 1.57 4.20 -1.01 0.16 115.11 121.19 2k49 h GLN 47 Ca 0.11 -0.05 -0.23 0.00 0.06 0.00 0.00 58.65 58.54 2k49 h GLN 47 Cb -0.00 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.59 2k49 h GLN 47 CO -0.05 0.55 -0.95 1.15 -0.67 0.00 0.00 178.83 178.86 2k49 h THR 48 N 0.86 1.39 0.00 -0.54 2.02 -0.67 -3.29 112.91 112.68 2k49 h THR 48 Ca 0.37 -2.44 -0.15 0.00 0.77 0.00 0.00 66.41 64.96 2k49 h THR 48 Cb 0.31 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 69.11 2k49 h THR 48 CO -0.14 0.73 -0.71 0.78 0.37 0.00 0.00 175.52 176.55 2k49 h ASN 49 N 0.24 0.00 -0.79 4.18 2.35 0.02 -3.36 115.58 118.23 2k49 h ASN 49 Ca -0.08 0.00 0.16 0.00 -0.55 0.00 0.00 56.30 55.82 2k49 h ASN 49 Cb 1.59 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 39.81 2k49 h ASN 49 CO 0.17 0.71 -0.19 -1.28 -1.65 0.00 0.00 177.43 175.19 2k49 h SER 50 N 0.00 -0.72 1.25 5.81 0.87 -0.77 0.48 113.55 120.48 2k49 h SER 50 Ca -0.01 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2k49 h SER 50 Cb 1.39 0.48 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 2k49 h SER 50 CO 0.09 -0.26 -0.04 -0.81 -0.53 0.00 0.00 176.83 175.28 2k49 n PRO 51 N -5.51 0.16 -3.13 2.24 -0.04 -1.26 -4.47 135.00 122.99 2k49 n PRO 51 Ca 0.11 0.13 -0.45 0.00 -0.04 0.00 0.00 63.50 63.24 2k49 n PRO 51 Cb 0.40 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.16 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 -3.06 5.19 0.23 0.52 1.01 0.17 -4.91 121.20 120.34 2k49 s ILE 52 Ca 0.12 -2.07 -0.06 0.00 0.00 0.00 0.00 60.65 58.63 2k49 s ILE 52 Cb 0.15 -4.63 0.18 0.00 0.01 0.00 0.00 42.46 38.17 2k49 s ILE 52 CO 0.58 -1.27 1.78 -0.08 0.00 0.00 0.00 174.94 175.95 2k49 h GLU 53 N 8.25 0.59 0.00 2.79 4.81 -1.82 -2.54 114.58 126.66 2k49 h GLU 53 Ca 0.14 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 2k49 h GLU 53 Cb 1.03 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.27 2k49 h GLU 53 CO 0.93 0.39 0.13 0.00 -0.73 0.00 0.00 179.01 179.73 2k49 n ALA 54 N -2.41 0.82 1.86 2.92 0.00 -1.26 -0.81 120.51 121.62 2k49 n ALA 54 Ca 0.12 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.78 2k49 n ALA 54 Cb 0.29 -0.95 0.68 0.00 0.00 0.00 0.00 19.45 19.47 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 -1.85 1.15 -0.79 0.00 5.12 -0.96 -4.91 116.66 114.42 2k49 n ARG 55 Ca -0.01 -0.22 -0.30 0.00 -1.93 0.00 0.00 57.85 55.39 2k49 n ARG 55 Cb 0.15 -1.40 0.26 0.00 -1.16 0.00 0.00 32.46 30.31 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 -1.98 -0.06 -0.29 -1.55 1.13 0.01 -2.46 117.35 112.16 2k49 s TYR 56 Ca 0.37 0.51 0.05 0.00 -1.41 0.00 0.00 57.07 56.58 2k49 s TYR 56 Cb 0.18 -3.23 0.20 0.00 -1.10 0.00 0.00 41.96 38.00 2k49 s TYR 56 CO 0.29 -4.39 0.61 0.00 -2.51 0.00 0.00 175.55 169.55 2k49 s ALA 57 N -2.71 -2.45 -0.44 9.51 0.00 -0.87 -4.78 121.76 120.02 2k49 s ALA 57 Ca 0.70 1.15 -0.27 0.00 0.00 0.00 0.00 51.96 53.55 2k49 s ALA 57 Cb -0.11 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.53 2k49 s ALA 57 CO 0.57 -1.79 1.01 0.15 0.00 0.00 0.00 175.76 175.71 2k49 s LYS 58 N 2.84 3.69 0.06 0.00 -0.14 -1.26 -2.02 119.74 122.91 2k49 s LYS 58 Ca 0.12 0.44 0.05 0.00 -1.36 0.00 0.00 55.97 55.22 2k49 s LYS 58 Cb -0.10 -3.89 -0.03 0.00 -1.68 0.00 0.00 37.83 32.13 2k49 s LYS 58 CO -0.25 -1.22 -0.13 -1.21 -0.76 0.00 0.00 175.35 171.78 2k49 s GLU 59 N 3.96 0.80 -0.13 1.68 2.02 -0.84 -5.04 118.70 121.15 2k49 s GLU 59 Ca 0.42 -0.88 -0.00 0.00 0.02 0.00 0.00 54.97 54.52 2k49 s GLU 59 Cb -0.09 -0.78 0.03 0.00 0.10 0.00 0.00 34.13 33.38 2k49 s GLU 59 CO 0.26 0.18 -0.07 0.08 0.02 0.00 0.00 175.26 175.73 2k49 s VAL 60 N -1.19 1.11 0.91 2.63 1.01 -1.26 -0.83 120.40 122.78 2k49 s VAL 60 Ca -0.02 -0.44 -0.12 0.00 0.00 0.00 0.00 61.98 61.41 2k49 s VAL 60 Cb -0.09 -1.17 0.14 0.00 0.00 0.00 0.00 36.38 35.25 2k49 s VAL 60 CO 0.02 0.30 1.09 0.00 0.00 0.00 0.00 175.10 176.51 2k49 s ALA 61 N 1.66 1.44 0.52 5.51 0.00 -0.40 -4.85 121.76 125.64 2k49 s ALA 61 Ca 0.04 -0.06 0.29 0.00 0.00 0.00 0.00 51.96 52.22 2k49 s ALA 61 Cb -0.13 -3.20 1.42 0.00 0.00 0.00 0.00 23.12 21.20 2k49 s ALA 61 CO -0.08 -2.45 1.91 0.87 0.00 0.00 0.00 175.76 176.01 2k49 h LYS 62 N -1.62 0.05 0.00 0.00 1.79 -2.01 0.15 116.57 114.93 2k49 h LYS 62 Ca -0.50 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 57.97 2k49 h LYS 62 Cb 1.29 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.93 2k49 h LYS 62 CO 0.54 0.03 0.00 0.09 -1.08 0.00 0.00 179.45 179.03 2k49 n ASN 63 N -4.32 0.00 -1.28 0.86 4.13 -1.26 -4.81 115.26 108.58 2k49 n ASN 63 Ca 0.16 -0.51 -0.15 0.00 1.68 0.00 0.00 54.58 55.76 2k49 n ASN 63 Cb 0.85 0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 39.04 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 2k49 n ASP 64 N -0.95 -4.72 -4.58 6.41 8.00 0.53 -5.00 116.55 116.23 2k49 n ASP 64 Ca 0.10 0.27 -0.37 0.00 0.71 0.00 0.00 54.79 55.51 2k49 n ASP 64 Cb 0.05 -3.62 -0.11 0.00 -0.02 0.00 0.00 41.12 37.42 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 -3.63 3.91 0.28 -1.24 1.02 -1.25 -4.88 119.74 113.95 2k49 s LYS 65 Ca 0.00 -0.35 -0.29 0.00 0.02 0.00 0.00 55.97 55.35 2k49 s LYS 65 Cb 0.00 -3.49 -0.09 0.00 -0.52 0.00 0.00 37.83 33.72 2k49 s LYS 65 CO 0.00 -0.06 1.02 -1.25 -0.92 0.00 0.00 175.35 174.14 2k49 s PRO 66 N 1.37 4.67 0.38 -1.68 0.04 -1.25 -1.27 135.00 137.27 2k49 s PRO 66 Ca 0.06 1.62 -0.10 0.00 0.04 0.00 0.00 61.00 62.62 2k49 s PRO 66 Cb -0.15 -3.13 0.04 0.00 0.04 0.00 0.00 34.50 31.30 2k49 s PRO 66 CO 0.06 0.30 0.69 1.52 0.04 0.00 0.00 177.00 179.61 2k49 s TYR 67 N -1.25 0.49 -0.03 0.56 1.13 -0.01 -1.83 117.35 116.40 2k49 s TYR 67 Ca 0.45 -1.02 -0.09 0.00 -1.41 0.00 0.00 57.07 54.99 2k49 s TYR 67 Cb -0.28 0.53 0.01 0.00 -1.10 0.00 0.00 41.96 41.12 2k49 s TYR 67 CO 0.35 -1.46 0.21 -0.59 -2.51 0.00 0.00 175.55 171.55 2k49 s PHE 68 N -2.41 -0.10 0.13 -3.49 -0.71 -1.26 -1.98 117.98 108.16 2k49 s PHE 68 Ca 0.21 0.20 0.11 0.00 -1.04 0.00 0.00 56.93 56.41 2k49 s PHE 68 Cb -0.04 0.03 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2k49 s PHE 68 CO 0.15 -0.26 -0.26 -0.80 -1.34 0.00 0.00 175.22 172.71 2k49 s ASN 69 N -0.89 3.36 -0.11 1.98 -0.87 -0.86 -0.99 114.94 116.56 2k49 s ASN 69 Ca -0.10 -0.74 -0.00 0.00 -1.57 0.00 0.00 52.86 50.45 2k49 s ASN 69 Cb -0.05 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 40.91 2k49 s ASN 69 CO 0.02 0.18 -0.10 -0.22 -2.57 0.00 0.00 177.10 174.40 2k49 s LEU 70 N -2.10 2.90 0.01 0.60 2.96 0.56 -2.06 118.68 121.56 2k49 s LEU 70 Ca 0.15 -0.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.92 2k49 s LEU 70 Cb -0.10 -1.65 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 2k49 s LEU 70 CO 0.06 0.22 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.52 2k49 s LYS 71 N 0.01 1.98 0.84 1.98 1.02 -1.03 -1.30 119.74 123.24 2k49 s LYS 71 Ca -0.03 -1.01 -0.08 0.00 0.02 0.00 0.00 55.97 54.88 2k49 s LYS 71 Cb -0.14 -2.03 0.16 0.00 -0.52 0.00 0.00 37.83 35.31 2k49 s LYS 71 CO 0.04 0.54 1.15 0.00 -0.92 0.00 0.00 175.35 176.16 2k49 s ALA 72 N -0.71 3.03 0.32 5.17 0.00 -0.59 -4.84 121.76 124.14 2k49 s ALA 72 Ca 0.11 -1.50 0.08 0.00 0.00 0.00 0.00 51.96 50.64 2k49 s ALA 72 Cb -0.10 -2.35 0.80 0.00 0.00 0.00 0.00 23.12 21.47 2k49 s ALA 72 CO 0.01 -1.93 1.78 0.00 0.00 0.00 0.00 175.76 175.61 2k49 h ALA 73 N -1.05 1.76 -0.11 0.00 0.00 -1.96 0.13 119.26 118.02 2k49 h ALA 73 Ca -0.40 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2k49 h ALA 73 Cb 1.25 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k49 h ALA 73 CO 0.39 -0.14 0.00 -1.71 0.00 0.00 0.00 179.25 177.79 2k49 n ASN 74 N -4.76 1.23 0.00 0.00 5.15 -1.26 -4.85 115.26 110.77 2k49 n ASN 74 Ca 0.24 -2.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.14 2k49 n ASN 74 Cb 0.62 -0.32 0.00 0.00 -0.53 0.00 0.00 39.78 39.55 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 -0.02 0.00 -2.54 1.20 8.25 0.45 -4.99 115.22 117.58 2k49 n HIS 75 Ca 0.04 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.10 2k49 n HIS 75 Cb 0.26 -0.69 -0.05 0.00 1.12 0.00 0.00 29.99 30.63 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 -0.67 4.69 -0.77 -0.41 -2.07 -1.26 -4.75 119.66 114.43 2k49 s GLN 76 Ca 0.00 1.73 -0.26 0.00 -1.82 0.00 0.00 55.36 55.01 2k49 s GLN 76 Cb 0.00 -3.22 0.01 0.00 -1.09 0.00 0.00 33.01 28.72 2k49 s GLN 76 CO 0.00 0.28 1.53 0.42 -1.32 0.00 0.00 175.29 176.19 2k49 s ILE 77 N -1.12 3.63 -0.32 3.63 -1.09 -1.26 -1.54 121.20 123.14 2k49 s ILE 77 Ca 0.44 0.08 0.23 0.00 -2.23 0.00 0.00 60.65 59.16 2k49 s ILE 77 Cb -0.30 -4.60 0.02 0.00 -1.58 0.00 0.00 42.46 36.00 2k49 s ILE 77 CO 0.39 -1.54 1.12 0.16 -1.23 0.00 0.00 174.94 173.84 2k49 h ILE 78 N 6.51 0.00 -3.60 2.92 3.07 -1.56 -3.46 117.51 121.39 2k49 h ILE 78 Ca -0.16 -0.90 -0.22 0.00 1.55 0.00 0.00 64.86 65.13 2k49 h ILE 78 Cb 1.07 1.44 -0.28 0.00 -0.27 0.00 0.00 36.82 38.77 2k49 h ILE 78 CO 1.28 0.00 -0.66 -0.83 -1.05 0.00 0.00 178.15 176.89 2k49 s GLY 79 N -4.22 -0.03 -0.07 0.16 0.00 -0.90 -4.58 107.32 97.67 2k49 s GLY 79 Ca 0.01 0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.90 2k49 s GLY 79 CO 0.77 0.18 -0.07 -1.59 0.00 0.00 0.00 173.10 172.39 2k49 s THR 80 N 0.12 0.82 0.89 0.90 2.01 -1.19 -0.32 115.64 118.87 2k49 s THR 80 Ca -0.01 -0.24 -0.14 0.00 0.31 0.00 0.00 61.69 61.61 2k49 s THR 80 Cb -0.01 -0.82 0.15 0.00 0.01 0.00 0.00 72.50 71.82 2k49 s THR 80 CO -0.00 0.30 1.25 -0.55 -0.69 0.00 0.00 174.62 174.93 2k49 s SER 81 N 1.17 3.75 0.50 3.53 0.15 -0.16 -0.64 113.70 121.99 2k49 s SER 81 Ca -0.06 0.47 0.01 0.00 0.70 0.00 0.00 55.95 57.07 2k49 s SER 81 Cb -0.14 -0.72 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 2k49 s SER 81 CO -0.02 -2.35 0.72 -1.10 1.20 0.00 0.00 173.24 171.69 2k49 s GLN 82 N -5.74 2.78 -0.34 5.44 -0.21 -1.25 -4.76 119.66 115.58 2k49 s GLN 82 Ca 0.69 -0.68 -0.29 0.00 0.02 0.00 0.00 55.36 55.09 2k49 s GLN 82 Cb -0.07 -2.53 0.00 0.00 1.00 0.00 0.00 33.01 31.41 2k49 s GLN 82 CO 0.51 -0.50 1.35 0.00 -2.12 0.00 0.00 175.29 174.53 2k49 s MET 83 N -4.65 3.78 0.50 2.91 0.23 -1.26 -4.57 119.30 116.25 2k49 s MET 83 Ca 0.53 1.14 -0.03 0.00 -1.03 0.00 0.00 55.69 56.30 2k49 s MET 83 Cb -0.10 -3.94 -0.01 0.00 -1.53 0.00 0.00 34.83 29.25 2k49 s MET 83 CO 0.38 -1.29 0.78 0.71 -2.03 0.00 0.00 175.02 173.56 2k49 s TYR 84 N 4.79 3.33 0.02 3.16 2.02 -0.76 -4.98 117.35 124.92 2k49 s TYR 84 Ca 0.58 0.53 0.11 0.00 -0.37 0.00 0.00 57.07 57.92 2k49 s TYR 84 Cb -0.16 -2.44 -0.22 0.00 -0.40 0.00 0.00 41.96 38.74 2k49 s TYR 84 CO 0.27 -0.48 0.90 0.77 -1.57 0.00 0.00 175.55 175.44 2k49 h SER 85 N 0.16 0.00 -5.20 2.29 0.02 -1.95 -3.34 113.55 105.53 2k49 h SER 85 Ca -0.46 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.36 2k49 h SER 85 Cb 1.24 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.62 2k49 h SER 85 CO 0.60 0.99 -0.68 -0.44 -1.14 0.00 0.00 176.83 176.16 2k49 s SER 86 N -6.32 0.46 0.21 3.07 0.01 -1.26 -4.92 113.70 104.95 2k49 s SER 86 Ca -0.02 -0.93 -0.09 0.00 1.31 0.00 0.00 55.95 56.21 2k49 s SER 86 Cb 0.09 0.19 0.17 0.00 0.21 0.00 0.00 66.02 66.67 2k49 s SER 86 CO 0.82 -0.56 1.86 0.71 0.41 0.00 0.00 173.24 176.48 2k49 h THR 87 N 3.35 1.22 -0.45 1.44 1.35 -1.94 -3.05 112.91 114.83 2k49 h THR 87 Ca -0.34 -0.47 0.09 0.00 -0.55 0.00 0.00 66.41 65.14 2k49 h THR 87 Cb 1.15 0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 67.60 2k49 h THR 87 CO 0.63 0.23 -0.06 0.00 -0.25 0.00 0.00 175.52 176.06 2k49 h ALA 88 N 1.26 0.35 -0.71 6.62 0.00 -2.00 -0.74 119.26 124.04 2k49 h ALA 88 Ca 0.28 0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2k49 h ALA 88 Cb -0.05 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 2k49 h ALA 88 CO -0.05 -0.42 0.47 0.00 0.00 0.00 0.00 179.25 179.24 2k49 h ALA 89 N 1.43 1.69 0.56 0.00 0.00 -1.96 -0.29 119.26 120.68 2k49 h ALA 89 Ca 0.22 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2k49 h ALA 89 Cb 0.33 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k49 h ALA 89 CO -0.42 0.21 -0.27 -0.09 0.00 0.00 0.00 179.25 178.67 2k49 h ARG 90 N 0.76 -0.73 -0.14 0.00 2.43 -1.14 -0.54 114.38 115.03 2k49 h ARG 90 Ca 0.30 0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.41 2k49 h ARG 90 Cb 0.22 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2k49 h ARG 90 CO -0.10 -0.43 -0.40 -0.44 -1.51 0.00 0.00 179.97 177.09 2k49 h ASP 91 N -0.93 0.32 -0.65 -3.80 5.19 -1.33 -2.17 116.42 113.05 2k49 h ASP 91 Ca -0.08 -0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.20 2k49 h ASP 91 Cb 0.64 -0.09 -0.03 0.00 0.18 0.00 0.00 39.33 40.03 2k49 h ASP 91 CO 0.13 0.70 0.41 -1.13 -3.12 0.00 0.00 179.24 176.22 2k49 h ASN 92 N 0.26 0.77 -0.96 6.45 -1.24 -1.05 -2.30 115.58 117.49 2k49 h ASN 92 Ca 0.02 -0.05 0.06 0.00 0.71 0.00 0.00 56.30 57.05 2k49 h ASN 92 Cb 0.83 -0.19 -0.06 0.00 0.73 0.00 0.00 38.32 39.62 2k49 h ASN 92 CO 0.07 0.58 0.62 1.23 -1.29 0.00 0.00 177.43 178.64 2k49 h GLY 93 N 0.88 1.45 0.63 1.57 0.00 -0.55 -1.63 103.07 105.42 2k49 h GLY 93 Ca 0.24 -0.46 0.07 0.00 0.00 0.00 0.00 47.33 47.18 2k49 h GLY 93 CO -0.05 0.34 0.40 -2.22 0.00 0.00 0.00 176.54 175.02 2k49 h ILE 94 N 1.15 0.95 -0.77 2.60 2.04 -0.92 -0.58 117.51 121.98 2k49 h ILE 94 Ca 0.41 -0.25 0.07 0.00 1.00 0.00 0.00 64.86 66.09 2k49 h ILE 94 Cb 0.12 0.17 -0.06 0.00 -0.74 0.00 0.00 36.82 36.31 2k49 h ILE 94 CO -0.16 0.13 0.45 0.11 0.00 0.00 0.00 178.15 178.68 2k49 h LYS 95 N 0.72 0.77 -0.62 2.37 1.57 -0.79 -1.15 116.57 119.44 2k49 h LYS 95 Ca 0.33 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2k49 h LYS 95 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2k49 h LYS 95 CO -0.20 0.51 0.37 0.77 -0.57 0.00 0.00 179.45 180.33 2k49 h SER 96 N 0.79 0.73 -0.57 0.86 0.02 -0.59 -2.04 113.55 112.76 2k49 h SER 96 Ca 0.35 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.22 2k49 h SER 96 Cb 0.24 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 2k49 h SER 96 CO -0.20 0.57 0.20 0.58 -1.14 0.00 0.00 176.83 176.83 2k49 h VAL 97 N 0.85 1.23 -0.58 2.27 2.07 0.02 0.19 116.25 122.30 2k49 h VAL 97 Ca 0.22 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 2k49 h VAL 97 Cb -0.03 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 2k49 h VAL 97 CO -0.04 0.29 0.14 0.24 0.02 0.00 0.00 177.57 178.22 2k49 h MET 98 N 0.80 0.92 0.03 1.57 2.07 -0.80 0.20 114.93 119.72 2k49 h MET 98 Ca 0.19 -0.22 -0.30 0.00 -2.07 0.00 0.00 59.70 57.29 2k49 h MET 98 Cb 0.26 -0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 29.82 2k49 h MET 98 CO -0.01 0.85 -1.71 1.49 1.07 0.00 0.00 176.91 178.61 2k49 h GLU 99 N 0.83 0.06 0.02 1.72 4.57 -1.34 -3.39 114.58 117.06 2k49 h GLU 99 Ca 0.18 -0.11 -0.34 0.00 -1.18 0.00 0.00 59.36 57.91 2k49 h GLU 99 Cb 0.34 0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 28.92 2k49 h GLU 99 CO 0.00 0.69 -2.09 0.09 -1.18 0.00 0.00 179.01 176.52 2k49 n ASN 100 N -3.17 0.90 0.09 1.04 3.02 0.67 0.78 115.26 118.59 2k49 n ASN 100 Ca -0.18 0.17 0.08 0.00 -0.03 0.00 0.00 54.58 54.61 2k49 n ASN 100 Cb 1.04 0.14 0.37 0.00 -0.61 0.00 0.00 39.78 40.72 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 1.78 -0.91 0.00 7.41 0.00 0.69 -1.78 105.19 112.39 2k49 n GLY 101 Ca -0.29 0.08 0.15 0.00 0.00 0.00 0.00 46.02 45.96 2k49 n GLY 101 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k49 n LYS 102 N -1.93 0.81 -2.25 1.61 2.85 -1.26 -3.98 118.16 114.00 2k49 n LYS 102 Ca 0.01 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.86 2k49 n LYS 102 Cb 0.10 -1.50 -0.03 0.00 -0.65 0.00 0.00 35.03 32.95 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2k49 s THR 103 N -2.18 3.06 -1.34 0.58 -1.32 -0.73 -4.94 115.64 108.76 2k49 s THR 103 Ca 0.41 1.02 0.26 0.00 -1.21 0.00 0.00 61.69 62.18 2k49 s THR 103 Cb 0.21 -3.65 0.16 0.00 -1.51 0.00 0.00 72.50 67.71 2k49 s THR 103 CO 0.39 0.23 1.55 0.35 -2.21 0.00 0.00 174.62 174.93 2k49 n THR 104 N 1.28 0.00 -2.06 5.08 -2.24 -1.26 -4.83 114.28 110.26 2k49 n THR 104 Ca 0.01 -0.05 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 2k49 n THR 104 Cb 0.43 0.22 -0.04 0.00 -2.10 0.00 0.00 70.33 68.84 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 -2.76 3.42 -0.38 4.28 2.01 -1.26 -4.94 115.64 116.01 2k49 s THR 105 Ca 0.18 -0.17 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2k49 s THR 105 Cb 0.18 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.70 2k49 s THR 105 CO 0.60 -0.95 0.25 -0.63 -0.69 0.00 0.00 174.62 173.20 2k49 s ILE 106 N 9.64 5.05 -0.19 1.82 1.01 -1.26 -1.35 121.20 135.93 2k49 s ILE 106 Ca 0.69 -0.60 -0.11 0.00 0.00 0.00 0.00 60.65 60.63 2k49 s ILE 106 Cb -0.09 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 2k49 s ILE 106 CO 0.07 -0.20 0.19 -0.54 0.00 0.00 0.00 174.94 174.45 2k49 s LYS 107 N 1.65 4.21 -0.04 2.79 1.02 0.49 -4.99 119.74 124.87 2k49 s LYS 107 Ca 0.04 -0.11 -0.18 0.00 0.02 0.00 0.00 55.97 55.74 2k49 s LYS 107 Cb -0.19 -3.42 -0.05 0.00 -0.52 0.00 0.00 37.83 33.65 2k49 s LYS 107 CO 0.09 0.28 0.52 0.34 -0.92 0.00 0.00 175.35 175.65 2k49 s ASP 108 N 0.40 6.85 0.00 2.83 -1.08 -1.26 -0.92 116.67 123.48 2k49 s ASP 108 Ca 0.11 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.15 2k49 s ASP 108 Cb -0.12 -2.31 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 2k49 s ASP 108 CO -0.00 0.12 0.74 0.18 0.52 0.00 0.00 175.17 176.73 2k49 n LEU 109 N 2.81 1.40 -0.05 -1.34 4.77 0.12 -4.77 117.00 119.94 2k49 n LEU 109 Ca -0.09 -1.40 -0.19 0.00 -0.03 0.00 0.00 56.01 54.30 2k49 n LEU 109 Cb 0.51 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 2k49 n LEU 109 CO 0.42 0.35 -0.21 0.71 -1.33 0.00 0.00 177.39 177.33 2k49 h THR 110 N 0.28 1.23 -0.67 -5.08 1.35 -1.92 -3.36 112.91 104.74 2k49 h THR 110 Ca 0.00 -2.32 -0.05 0.00 -0.55 0.00 0.00 66.41 63.49 2k49 h THR 110 Cb 0.36 2.77 -0.03 0.00 -1.73 0.00 0.00 68.15 69.52 2k49 h THR 110 CO 0.00 0.55 0.23 -0.07 -0.25 0.00 0.00 175.52 175.98 2k49 h LEU 111 N -0.72 0.95 -7.53 3.87 3.38 -1.93 -3.47 115.31 109.86 2k49 h LEU 111 Ca -0.23 -0.16 0.22 0.00 0.09 0.00 0.00 57.88 57.80 2k49 h LEU 111 Cb 1.40 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 41.82 2k49 h LEU 111 CO -0.04 0.87 0.58 -1.83 0.09 0.00 0.00 178.44 178.11 2k49 s GLU 112 N -5.38 0.97 0.27 1.13 -1.05 -1.26 -5.18 118.70 108.20 2k49 s GLU 112 Ca -0.11 -0.53 0.08 0.00 -0.15 0.00 0.00 54.97 54.26 2k49 s GLU 112 Cb 0.16 0.33 -0.04 0.00 -0.44 0.00 0.00 34.13 34.14 2k49 s GLU 112 CO 0.82 -0.44 0.13 -1.01 0.95 0.00 0.00 175.26 175.71 2k49 s HIS 113 N -3.05 2.93 0.09 4.83 3.76 -1.26 -4.32 115.29 118.26 2k49 s HIS 113 Ca 0.13 -0.18 0.04 0.00 -0.15 0.00 0.00 55.06 54.90 2k49 s HIS 113 Cb 0.00 -1.38 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 2k49 s HIS 113 CO 0.00 0.52 -0.12 -3.38 -0.85 0.00 0.00 174.74 170.92 2k49 s HIS 114 N -2.23 1.11 -0.75 1.40 -3.43 -1.26 -4.92 115.29 105.21 2k49 s HIS 114 Ca 0.33 -0.56 -0.00 0.00 -0.80 0.00 0.00 55.06 54.03 2k49 s HIS 114 Cb -0.07 -0.61 -0.00 0.00 -1.43 0.00 0.00 32.58 30.47 2k49 s HIS 114 CO 0.23 0.03 0.70 1.58 -2.00 0.00 0.00 174.74 175.28 2k49 n HIS 115 N 0.88 -2.94 -2.32 0.38 -0.00 -1.26 -4.91 115.22 105.05 2k49 n HIS 115 Ca -0.18 1.12 -0.41 0.00 0.46 0.00 0.00 57.72 58.71 2k49 n HIS 115 Cb 0.56 -4.05 -0.03 0.00 -0.12 0.00 0.00 29.99 26.36 2k49 n HIS 115 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2k49 s HIS 116 N -3.00 2.15 0.25 1.57 5.04 -1.26 -4.99 115.29 115.04 2k49 s HIS 116 Ca 0.00 0.49 -0.30 0.00 -1.54 0.00 0.00 55.06 53.72 2k49 s HIS 116 Cb -0.00 -4.34 -0.09 0.00 0.04 0.00 0.00 32.58 28.19 2k49 s HIS 116 CO 0.76 -2.11 1.19 -3.38 -2.34 0.00 0.00 174.74 168.86 2k49 s HIS 117 N 6.58 3.41 -2.93 3.88 -3.43 -1.26 -5.31 115.29 116.23 2k49 s HIS 117 Ca 0.55 1.51 0.25 0.00 -0.80 0.00 0.00 55.06 56.57 2k49 s HIS 117 Cb -0.12 -3.43 0.31 0.00 -1.43 0.00 0.00 32.58 27.91 2k49 s HIS 117 CO 0.24 -1.11 1.33 0.72 -2.00 0.00 0.00 174.74 173.92