#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 5.43 0.89 7.83 1.04 -1.26 -4.48 113.70 123.14 2k49 s SER 2 Ca 0.00 0.93 -0.09 0.00 0.48 0.00 0.00 55.95 57.27 2k49 s SER 2 Cb 0.00 -1.78 0.16 0.00 0.10 0.00 0.00 66.02 64.51 2k49 s SER 2 CO 0.00 -1.28 1.00 0.61 0.98 0.00 0.00 173.24 174.56 2k49 n GLY 3 N -2.86 -0.72 3.82 7.32 0.00 -0.95 -4.35 105.19 107.44 2k49 n GLY 3 Ca 0.06 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.21 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 -3.09 -0.10 -0.15 1.61 -2.14 -1.14 -4.86 118.94 109.08 2k49 s TRP 4 Ca 0.60 -0.33 -0.05 0.00 2.66 0.00 0.00 56.10 58.97 2k49 s TRP 4 Cb -0.02 0.70 -0.03 0.00 -3.10 0.00 0.00 33.47 31.02 2k49 s TRP 4 CO 0.41 -1.11 0.02 0.71 -2.66 0.00 0.00 176.95 174.32 2k49 s TYR 5 N -3.29 3.17 -0.31 1.66 2.02 -0.81 -2.15 117.35 117.64 2k49 s TYR 5 Ca 0.13 -0.00 -0.01 0.00 -0.37 0.00 0.00 57.07 56.82 2k49 s TYR 5 Cb -0.04 -1.96 0.06 0.00 -0.40 0.00 0.00 41.96 39.62 2k49 s TYR 5 CO 0.06 0.19 0.01 -1.21 -1.57 0.00 0.00 175.55 173.03 2k49 s GLU 6 N 0.01 2.26 -0.24 -0.62 2.02 -0.29 -0.11 118.70 121.72 2k49 s GLU 6 Ca 0.03 -1.41 -0.15 0.00 0.02 0.00 0.00 54.97 53.47 2k49 s GLU 6 Cb -0.13 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 2k49 s GLU 6 CO 0.02 -0.70 0.35 -1.17 0.02 0.00 0.00 175.26 173.78 2k49 s LEU 7 N 1.18 4.09 0.03 1.80 2.96 -0.47 -1.39 118.68 126.88 2k49 s LEU 7 Ca -0.03 0.34 0.04 0.00 -0.22 0.00 0.00 54.13 54.26 2k49 s LEU 7 Cb -0.20 -2.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 2k49 s LEU 7 CO -0.03 -0.12 -0.11 -0.44 -1.32 0.00 0.00 176.35 174.34 2k49 s SER 8 N 1.37 1.25 -0.26 3.68 0.01 0.23 0.35 113.70 120.32 2k49 s SER 8 Ca 0.15 -0.42 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 2k49 s SER 8 Cb -0.15 -0.06 -0.05 0.00 0.21 0.00 0.00 66.02 65.97 2k49 s SER 8 CO 0.09 -0.03 0.16 -0.75 0.41 0.00 0.00 173.24 173.12 2k49 s LYS 9 N -1.08 3.93 0.90 12.44 2.20 -1.26 -0.63 119.74 136.23 2k49 s LYS 9 Ca -0.02 -0.34 -0.12 0.00 -0.36 0.00 0.00 55.97 55.14 2k49 s LYS 9 Cb -0.07 -3.57 0.13 0.00 -1.51 0.00 0.00 37.83 32.81 2k49 s LYS 9 CO 0.01 -0.12 1.12 0.45 -0.36 0.00 0.00 175.35 176.45 2k49 s SER 10 N 1.54 3.59 0.00 1.43 0.15 -0.10 -4.88 113.70 115.43 2k49 s SER 10 Ca 0.07 1.12 0.05 0.00 0.70 0.00 0.00 55.95 57.89 2k49 s SER 10 Cb -0.15 -1.76 0.22 0.00 -1.71 0.00 0.00 66.02 62.62 2k49 s SER 10 CO 0.08 -2.52 1.03 -1.20 1.20 0.00 0.00 173.24 171.83 2k49 n SER 11 N -3.77 0.00 0.00 5.45 7.64 -1.26 -0.28 113.62 121.41 2k49 n SER 11 Ca 0.06 0.30 0.13 0.00 1.01 0.00 0.00 58.87 60.38 2k49 n SER 11 Cb 0.58 -0.35 0.76 0.00 -1.01 0.00 0.00 64.21 64.19 2k49 n SER 11 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k49 n ASN 12 N -1.35 0.00 -1.51 6.43 4.13 -1.26 -4.87 115.26 116.83 2k49 n ASN 12 Ca 0.02 -0.70 -0.17 0.00 1.68 0.00 0.00 54.58 55.41 2k49 n ASN 12 Cb 0.04 -0.05 -0.06 0.00 -1.54 0.00 0.00 39.78 38.17 2k49 n ASN 12 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 2k49 n ASP 13 N -1.05 -5.08 -4.59 6.41 2.03 0.62 -5.00 116.55 109.89 2k49 n ASP 13 Ca 0.19 0.30 -0.33 0.00 0.52 0.00 0.00 54.79 55.46 2k49 n ASP 13 Cb 0.11 -4.12 -0.11 0.00 -0.72 0.00 0.00 41.12 36.28 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 -3.87 2.70 -0.09 -0.67 -0.21 -1.24 -4.81 119.66 111.48 2k49 s GLN 14 Ca 0.00 -0.60 -0.13 0.00 0.02 0.00 0.00 55.36 54.65 2k49 s GLN 14 Cb 0.00 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 2k49 s GLN 14 CO 0.00 0.65 0.33 -0.06 -2.12 0.00 0.00 175.29 174.09 2k49 s PHE 15 N -0.87 3.60 -0.01 0.91 0.40 -0.41 -0.92 117.98 120.67 2k49 s PHE 15 Ca 0.14 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.24 2k49 s PHE 15 Cb -0.11 -2.27 0.01 0.00 0.51 0.00 0.00 43.02 41.15 2k49 s PHE 15 CO 0.03 0.48 -0.00 -1.59 0.70 0.00 0.00 175.22 174.84 2k49 s LYS 16 N -0.38 0.07 0.12 0.44 -2.85 0.20 -0.15 119.74 117.18 2k49 s LYS 16 Ca 0.20 0.01 0.10 0.00 -1.00 0.00 0.00 55.97 55.28 2k49 s LYS 16 Cb -0.14 -0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.46 2k49 s LYS 16 CO 0.08 -0.02 -0.24 -0.59 0.10 0.00 0.00 175.35 174.68 2k49 s PHE 17 N 0.22 2.39 -0.00 1.78 -0.71 -1.26 -0.60 117.98 119.80 2k49 s PHE 17 Ca -0.02 -0.34 0.05 0.00 -1.04 0.00 0.00 56.93 55.59 2k49 s PHE 17 Cb -0.03 -1.30 -0.02 0.00 -1.21 0.00 0.00 43.02 40.47 2k49 s PHE 17 CO -0.01 0.34 -0.17 0.14 -1.34 0.00 0.00 175.22 174.18 2k49 s VAL 18 N -1.07 1.38 -0.27 -2.49 -7.23 -0.49 -1.83 120.40 108.39 2k49 s VAL 18 Ca 0.15 -0.81 -0.09 0.00 -1.81 0.00 0.00 61.98 59.43 2k49 s VAL 18 Cb -0.10 -1.16 -0.03 0.00 0.56 0.00 0.00 36.38 35.65 2k49 s VAL 18 CO 0.07 0.34 0.12 -0.22 -0.31 0.00 0.00 175.10 175.10 2k49 s LEU 19 N -0.54 3.76 0.01 1.32 2.96 0.36 -1.14 118.68 125.41 2k49 s LEU 19 Ca 0.06 -0.27 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 2k49 s LEU 19 Cb -0.07 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2k49 s LEU 19 CO -0.00 -0.09 0.06 -0.54 -1.32 0.00 0.00 176.35 174.46 2k49 s LYS 20 N 1.64 2.98 0.25 1.98 1.02 -0.91 -1.69 119.74 125.02 2k49 s LYS 20 Ca 0.06 -0.54 -0.05 0.00 0.02 0.00 0.00 55.97 55.47 2k49 s LYS 20 Cb -0.16 -2.80 0.29 0.00 -0.52 0.00 0.00 37.83 34.64 2k49 s LYS 20 CO 0.06 0.63 1.86 0.00 -0.92 0.00 0.00 175.35 176.98 2k49 h ALA 21 N 4.06 1.20 0.00 5.17 0.00 -1.08 -3.01 119.26 125.60 2k49 h ALA 21 Ca -0.49 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.28 2k49 h ALA 21 Cb 1.18 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2k49 h ALA 21 CO 0.62 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.89 2k49 n GLY 22 N -1.08 2.27 0.00 0.00 0.00 -1.26 -2.25 105.19 102.87 2k49 n GLY 22 Ca 0.08 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2k49 n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k49 n ASN 23 N 0.00 0.00 0.00 1.61 6.94 -1.26 -4.80 115.26 117.75 2k49 n ASN 23 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 54.58 54.89 2k49 n ASN 23 Cb 0.00 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 36.98 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 1.44 1.35 3.73 4.83 0.00 -1.26 -5.10 105.19 110.17 2k49 n GLY 24 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 0.00 4.14 -0.10 1.61 2.12 -1.26 -4.79 118.70 120.42 2k49 s GLU 25 Ca 0.00 2.55 -0.23 0.00 0.36 0.00 0.00 54.97 57.66 2k49 s GLU 25 Cb 0.00 -3.07 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 2k49 s GLU 25 CO 0.00 -0.68 0.68 0.08 -0.54 0.00 0.00 175.26 174.80 2k49 s VAL 26 N 0.75 5.04 -0.22 3.70 1.01 -1.26 -0.47 120.40 128.95 2k49 s VAL 26 Ca 0.70 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 64.01 2k49 s VAL 26 Cb -0.48 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 31.77 2k49 s VAL 26 CO 0.37 0.21 -0.24 2.30 0.00 0.00 0.00 175.10 177.75 2k49 n ILE 27 N 4.02 1.24 -4.53 2.22 -5.35 -0.68 -4.81 119.36 111.47 2k49 n ILE 27 Ca -0.01 -0.40 -0.29 0.00 -0.27 0.00 0.00 62.75 61.78 2k49 n ILE 27 Cb 0.51 -1.51 -0.17 0.00 -1.74 0.00 0.00 39.64 36.73 2k49 n ILE 27 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k49 s LEU 28 N -6.70 1.76 -0.10 7.28 2.01 -1.08 -3.08 118.68 118.78 2k49 s LEU 28 Ca -0.30 -0.44 0.03 0.00 0.01 0.00 0.00 54.13 53.43 2k49 s LEU 28 Cb 0.10 -1.11 -0.01 0.00 0.01 0.00 0.00 46.19 45.18 2k49 s LEU 28 CO 0.45 0.03 -0.20 -0.89 1.01 0.00 0.00 176.35 176.75 2k49 s THR 29 N 0.91 2.45 0.59 5.49 2.01 0.19 -0.48 115.64 126.79 2k49 s THR 29 Ca -0.08 -0.89 0.08 0.00 0.31 0.00 0.00 61.69 61.10 2k49 s THR 29 Cb -0.15 -1.96 0.10 0.00 0.01 0.00 0.00 72.50 70.50 2k49 s THR 29 CO -0.01 0.55 0.81 -0.24 -0.69 0.00 0.00 174.62 175.05 2k49 n SER 30 N 3.32 1.91 -2.53 3.53 2.88 -0.76 -0.70 113.62 121.26 2k49 n SER 30 Ca -0.18 -2.42 -0.06 0.00 -1.33 0.00 0.00 58.87 54.88 2k49 n SER 30 Cb 0.53 -0.45 -0.01 0.00 -0.75 0.00 0.00 64.21 63.53 2k49 n SER 30 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k49 n GLU 31 N -2.33 1.64 -2.57 -1.46 1.02 -1.26 -4.70 120.64 110.97 2k49 n GLU 31 Ca 0.16 -0.71 -0.43 0.00 -0.02 0.00 0.00 57.16 56.17 2k49 n GLU 31 Cb 0.58 0.16 -0.02 0.00 -0.02 0.00 0.00 31.44 32.13 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k49 s LEU 32 N 0.00 3.57 0.32 -4.62 1.43 -1.26 -4.27 118.68 113.85 2k49 s LEU 32 Ca 0.02 0.38 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 2k49 s LEU 32 Cb -0.00 -3.43 -0.09 0.00 0.03 0.00 0.00 46.19 42.70 2k49 s LEU 32 CO 0.01 -1.35 0.77 -0.31 0.23 0.00 0.00 176.35 175.71 2k49 s TYR 33 N 4.72 3.43 0.34 0.29 1.51 0.78 -4.86 117.35 123.55 2k49 s TYR 33 Ca 0.48 1.33 0.07 0.00 -1.01 0.00 0.00 57.07 57.94 2k49 s TYR 33 Cb -0.08 -2.61 0.61 0.00 -0.11 0.00 0.00 41.96 39.77 2k49 s TYR 33 CO 0.30 0.11 1.81 1.79 -1.11 0.00 0.00 175.55 178.45 2k49 h THR 34 N 2.12 1.24 -4.18 -0.71 1.35 -1.92 -1.09 112.91 109.72 2k49 h THR 34 Ca -0.48 -1.12 -0.15 0.00 -0.55 0.00 0.00 66.41 64.12 2k49 h THR 34 Cb 1.18 1.39 -0.14 0.00 -1.73 0.00 0.00 68.15 68.85 2k49 h THR 34 CO 0.65 0.34 -0.49 -0.83 -0.25 0.00 0.00 175.52 174.94 2k49 s GLY 35 N -4.10 0.78 0.37 5.82 0.00 -1.26 -4.72 107.32 104.21 2k49 s GLY 35 Ca -0.05 -1.21 0.14 0.00 0.00 0.00 0.00 44.72 43.59 2k49 s GLY 35 CO 0.75 -1.12 1.81 1.70 0.00 0.00 0.00 173.10 176.25 2k49 h LYS 36 N 2.70 0.00 0.52 2.90 3.64 -1.94 -2.33 116.57 122.06 2k49 h LYS 36 Ca -0.33 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 2k49 h LYS 36 Cb 1.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2k49 h LYS 36 CO 0.53 0.38 -0.38 1.03 -2.27 0.00 0.00 179.45 178.75 2k49 h SER 37 N 0.00 -0.98 -0.73 4.20 0.87 -1.99 -0.16 113.55 114.76 2k49 h SER 37 Ca -0.00 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.62 2k49 h SER 37 Cb 0.70 0.30 -0.04 0.00 -0.44 0.00 0.00 62.40 62.93 2k49 h SER 37 CO 0.05 -0.56 0.43 1.23 -0.53 0.00 0.00 176.83 177.45 2k49 h GLY 38 N -0.88 1.08 0.96 5.77 0.00 -1.96 0.79 103.07 108.83 2k49 h GLY 38 Ca -0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2k49 h GLY 38 CO 0.02 0.44 -0.23 0.00 0.00 0.00 0.00 176.54 176.77 2k49 h ALA 39 N 1.45 -0.66 -0.62 3.60 0.00 -1.22 0.01 119.26 121.83 2k49 h ALA 39 Ca 0.27 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k49 h ALA 39 Cb -0.02 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k49 h ALA 39 CO -0.05 -0.85 0.26 0.52 0.00 0.00 0.00 179.25 179.14 2k49 h MET 40 N -0.70 0.92 -0.89 0.00 2.86 -0.94 -1.64 114.93 114.54 2k49 h MET 40 Ca -0.07 -0.16 0.21 0.00 -2.06 0.00 0.00 59.70 57.62 2k49 h MET 40 Cb 0.53 -0.15 -0.12 0.00 0.06 0.00 0.00 31.60 31.91 2k49 h MET 40 CO 0.11 0.77 0.41 -0.97 1.06 0.00 0.00 176.91 178.29 2k49 h ASN 41 N 0.86 0.38 -0.47 1.22 -1.24 -0.74 0.16 115.58 115.75 2k49 h ASN 41 Ca 0.21 0.14 -0.09 0.00 0.71 0.00 0.00 56.30 57.26 2k49 h ASN 41 Cb 0.18 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.32 2k49 h ASN 41 CO -0.02 0.05 -0.05 1.23 -1.29 0.00 0.00 177.43 177.34 2k49 h GLY 42 N 0.45 1.00 0.79 1.57 0.00 -0.18 -1.17 103.07 105.53 2k49 h GLY 42 Ca 0.54 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 2k49 h GLY 42 CO -0.49 0.68 -0.05 -2.22 0.00 0.00 0.00 176.54 174.45 2k49 h ILE 43 N 0.84 1.01 -0.23 2.60 2.04 0.12 0.66 117.51 124.55 2k49 h ILE 43 Ca 0.15 -0.46 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 2k49 h ILE 43 Cb 0.57 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 2k49 h ILE 43 CO 0.03 0.11 0.01 -0.33 0.00 0.00 0.00 178.15 177.98 2k49 h GLU 44 N -0.36 0.34 -0.32 2.37 5.08 -1.10 -1.46 114.58 119.13 2k49 h GLU 44 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2k49 h GLU 44 Cb 0.30 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2k49 h GLU 44 CO 0.02 0.36 0.17 1.03 -1.00 0.00 0.00 179.01 179.59 2k49 h SER 45 N 0.34 0.41 -0.19 1.42 0.87 -0.87 -1.78 113.55 113.75 2k49 h SER 45 Ca 0.08 -0.11 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2k49 h SER 45 Cb 0.21 -0.11 -0.06 0.00 -0.44 0.00 0.00 62.40 62.01 2k49 h SER 45 CO 0.00 0.40 -0.18 0.58 -0.53 0.00 0.00 176.83 177.10 2k49 h VAL 46 N 0.39 0.51 -0.78 2.23 2.07 -0.03 0.35 116.25 120.99 2k49 h VAL 46 Ca 0.11 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.79 2k49 h VAL 46 Cb 0.09 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2k49 h VAL 46 CO -0.02 0.00 0.52 1.56 0.02 0.00 0.00 177.57 179.65 2k49 h GLN 47 N -0.20 0.43 0.14 1.57 4.20 -1.13 0.20 115.11 120.32 2k49 h GLN 47 Ca 0.12 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.52 2k49 h GLN 47 Cb 0.38 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2k49 h GLN 47 CO -0.31 0.28 -1.33 1.15 -0.67 0.00 0.00 178.83 177.95 2k49 h THR 48 N 0.44 1.40 0.00 -0.54 2.02 -0.36 -3.37 112.91 112.51 2k49 h THR 48 Ca 0.39 -2.97 -0.21 0.00 0.77 0.00 0.00 66.41 64.39 2k49 h THR 48 Cb 0.87 2.91 -0.03 0.00 -1.74 0.00 0.00 68.15 70.16 2k49 h THR 48 CO -0.13 0.87 -1.06 0.78 0.37 0.00 0.00 175.52 176.35 2k49 h ASN 49 N 0.08 0.00 -0.67 4.18 2.35 0.57 -3.38 115.58 118.72 2k49 h ASN 49 Ca -0.17 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.71 2k49 h ASN 49 Cb 2.00 0.00 -0.10 0.00 0.05 0.00 0.00 38.32 40.27 2k49 h ASN 49 CO 0.20 0.92 0.14 0.28 -1.65 0.00 0.00 177.43 177.32 2k49 h SER 50 N 0.00 -0.01 0.00 5.81 0.02 -0.79 0.22 113.55 118.79 2k49 h SER 50 Ca -0.06 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2k49 h SER 50 Cb 1.75 0.18 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2k49 h SER 50 CO 0.11 -0.02 0.00 -0.81 -1.14 0.00 0.00 176.83 174.97 2k49 n PRO 51 N -5.15 0.75 -3.90 3.45 -0.04 -1.26 -4.63 135.00 124.22 2k49 n PRO 51 Ca 0.11 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.22 2k49 n PRO 51 Cb 0.38 -1.18 -0.14 0.00 -0.04 0.00 0.00 33.50 32.53 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 3.00 0.37 0.52 1.01 0.06 -4.99 121.20 119.17 2k49 s ILE 52 Ca 0.13 -1.47 0.05 0.00 0.00 0.00 0.00 60.65 59.36 2k49 s ILE 52 Cb 0.06 -2.77 0.28 0.00 0.01 0.00 0.00 42.46 40.04 2k49 s ILE 52 CO 0.10 -0.17 2.00 -0.33 0.00 0.00 0.00 174.94 176.53 2k49 h GLU 53 N 7.99 0.71 0.00 2.79 3.07 -1.82 -1.62 114.58 125.70 2k49 h GLU 53 Ca -0.20 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2k49 h GLU 53 Cb 1.06 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2k49 h GLU 53 CO 0.55 0.47 0.00 0.00 -1.40 0.00 0.00 179.01 178.62 2k49 n ALA 54 N -2.46 1.36 0.27 3.43 0.00 -1.26 -1.22 120.51 120.63 2k49 n ALA 54 Ca 0.08 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.76 2k49 n ALA 54 Cb 0.15 -1.33 0.15 0.00 0.00 0.00 0.00 19.45 18.41 2k49 n ALA 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k49 h ARG 55 N 0.00 0.00 -5.74 0.00 2.47 -1.57 -3.43 114.38 106.11 2k49 h ARG 55 Ca 0.00 0.00 -0.61 0.00 -1.26 0.00 0.00 59.98 58.11 2k49 h ARG 55 Cb 0.18 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.38 2k49 h ARG 55 CO 0.00 0.00 0.81 0.71 0.56 0.00 0.00 179.97 182.05 2k49 s TYR 56 N -3.24 2.58 -0.68 3.04 1.51 -0.36 -2.86 117.35 117.35 2k49 s TYR 56 Ca 0.05 -0.50 -0.24 0.00 -1.01 0.00 0.00 57.07 55.36 2k49 s TYR 56 Cb 0.08 -4.43 0.05 0.00 -0.11 0.00 0.00 41.96 37.55 2k49 s TYR 56 CO 0.70 -1.79 1.08 0.00 -1.11 0.00 0.00 175.55 174.43 2k49 s ALA 57 N 4.53 2.98 0.01 3.71 0.00 0.08 -4.90 121.76 128.18 2k49 s ALA 57 Ca 0.29 -1.59 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 2k49 s ALA 57 Cb -0.12 -4.00 -0.04 0.00 0.00 0.00 0.00 23.12 18.97 2k49 s ALA 57 CO 0.08 -2.92 1.07 0.15 0.00 0.00 0.00 175.76 174.14 2k49 s LYS 58 N 4.68 4.50 0.00 0.00 1.02 -1.26 -0.79 119.74 127.89 2k49 s LYS 58 Ca 0.28 1.56 -0.02 0.00 0.02 0.00 0.00 55.97 57.81 2k49 s LYS 58 Cb -0.13 -3.43 -0.01 0.00 -0.52 0.00 0.00 37.83 33.75 2k49 s LYS 58 CO 0.13 -0.16 0.04 -2.00 -0.92 0.00 0.00 175.35 172.44 2k49 s GLU 59 N 1.14 0.25 -0.14 1.68 2.56 0.10 -4.98 118.70 119.31 2k49 s GLU 59 Ca 0.54 -0.30 0.02 0.00 0.00 0.00 0.00 54.97 55.24 2k49 s GLU 59 Cb -0.24 0.10 0.01 0.00 2.00 0.00 0.00 34.13 36.00 2k49 s GLU 59 CO 0.28 -0.05 -0.21 0.08 -0.56 0.00 0.00 175.26 174.80 2k49 s VAL 60 N -0.87 2.00 0.61 3.70 1.01 -1.26 -0.85 120.40 124.73 2k49 s VAL 60 Ca -0.10 -0.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 2k49 s VAL 60 Cb -0.06 -1.77 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2k49 s VAL 60 CO -0.00 0.54 1.10 0.00 0.00 0.00 0.00 175.10 176.74 2k49 s ALA 61 N 0.84 2.59 0.57 5.51 0.00 0.10 -4.88 121.76 126.49 2k49 s ALA 61 Ca -0.07 0.58 0.29 0.00 0.00 0.00 0.00 51.96 52.76 2k49 s ALA 61 Cb -0.15 -3.31 1.48 0.00 0.00 0.00 0.00 23.12 21.14 2k49 s ALA 61 CO -0.02 -1.03 1.92 1.57 0.00 0.00 0.00 175.76 178.20 2k49 h LYS 62 N 0.43 0.00 -0.95 0.00 2.10 -2.00 0.12 116.57 116.27 2k49 h LYS 62 Ca -0.48 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.13 2k49 h LYS 62 Cb 1.24 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.54 2k49 h LYS 62 CO 0.56 0.00 0.06 -1.71 -2.00 0.00 0.00 179.45 176.36 2k49 n ASN 63 N -3.87 2.52 -1.42 7.07 5.15 -1.26 -4.82 115.26 118.62 2k49 n ASN 63 Ca 0.10 -2.27 -0.16 0.00 -0.60 0.00 0.00 54.58 51.65 2k49 n ASN 63 Cb 0.69 -0.56 -0.05 0.00 -0.53 0.00 0.00 39.78 39.34 2k49 n ASN 63 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k49 n ASP 64 N 0.14 -4.89 -4.45 1.20 2.03 0.41 -4.96 116.55 106.03 2k49 n ASP 64 Ca 0.09 0.26 -0.44 0.00 0.52 0.00 0.00 54.79 55.23 2k49 n ASP 64 Cb 0.59 -3.87 -0.05 0.00 -0.72 0.00 0.00 41.12 37.07 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k49 s LYS 65 N -3.83 3.15 0.36 -0.67 1.02 -1.16 -4.72 119.74 113.89 2k49 s LYS 65 Ca 0.00 -0.84 -0.24 0.00 0.02 0.00 0.00 55.97 54.90 2k49 s LYS 65 Cb 0.00 -4.15 -0.10 0.00 -0.52 0.00 0.00 37.83 33.06 2k49 s LYS 65 CO 0.00 -1.45 0.96 -1.25 -0.92 0.00 0.00 175.35 172.69 2k49 s PRO 66 N 3.16 4.43 0.25 -1.68 0.04 -1.26 -0.72 135.00 139.23 2k49 s PRO 66 Ca 0.19 1.29 -0.14 0.00 0.04 0.00 0.00 61.00 62.38 2k49 s PRO 66 Cb -0.18 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.81 2k49 s PRO 66 CO 0.12 0.14 0.72 2.48 0.04 0.00 0.00 177.00 180.50 2k49 n TYR 67 N 0.15 -1.76 -3.79 0.56 4.11 -0.03 -3.79 117.16 112.60 2k49 n TYR 67 Ca 0.04 -1.33 -0.10 0.00 -0.00 0.00 0.00 57.90 56.51 2k49 n TYR 67 Cb 0.51 0.66 -0.07 0.00 -0.00 0.00 0.00 39.34 40.44 2k49 n TYR 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 2k49 s PHE 68 N -3.19 0.03 0.16 -3.48 -0.71 -1.26 -0.72 117.98 108.80 2k49 s PHE 68 Ca 0.15 -0.38 0.10 0.00 -1.04 0.00 0.00 56.93 55.76 2k49 s PHE 68 Cb -0.03 0.04 -0.04 0.00 -1.21 0.00 0.00 43.02 41.77 2k49 s PHE 68 CO 0.08 -0.57 -0.18 -0.80 -1.34 0.00 0.00 175.22 172.41 2k49 s ASN 69 N -2.70 3.81 -0.18 1.98 0.01 0.03 -1.73 114.94 116.16 2k49 s ASN 69 Ca 0.03 -0.67 -0.03 0.00 -0.71 0.00 0.00 52.86 51.47 2k49 s ASN 69 Cb 0.03 -0.48 -0.01 0.00 0.41 0.00 0.00 41.25 41.19 2k49 s ASN 69 CO -0.10 0.14 -0.07 -0.22 -1.51 0.00 0.00 177.10 175.34 2k49 s LEU 70 N -2.50 2.90 0.13 0.60 2.96 0.09 -0.74 118.68 122.12 2k49 s LEU 70 Ca 0.21 -0.33 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 2k49 s LEU 70 Cb -0.09 -1.71 -0.04 0.00 0.50 0.00 0.00 46.19 44.85 2k49 s LEU 70 CO 0.11 0.07 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.47 2k49 s LYS 71 N 0.95 1.20 0.70 1.98 1.02 -1.14 -1.82 119.74 122.64 2k49 s LYS 71 Ca -0.01 -1.28 0.01 0.00 0.02 0.00 0.00 55.97 54.71 2k49 s LYS 71 Cb -0.15 -1.36 0.12 0.00 -0.52 0.00 0.00 37.83 35.92 2k49 s LYS 71 CO 0.00 0.30 0.96 0.00 -0.92 0.00 0.00 175.35 175.69 2k49 s ALA 72 N -1.60 3.88 0.41 5.17 0.00 -1.11 -4.80 121.76 123.72 2k49 s ALA 72 Ca 0.11 -1.82 0.15 0.00 0.00 0.00 0.00 51.96 50.39 2k49 s ALA 72 Cb -0.08 -1.90 1.01 0.00 0.00 0.00 0.00 23.12 22.15 2k49 s ALA 72 CO 0.05 -1.38 1.91 0.00 0.00 0.00 0.00 175.76 176.35 2k49 h ALA 73 N -0.42 2.07 0.00 0.00 0.00 -1.98 0.28 119.26 119.20 2k49 h ALA 73 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2k49 h ALA 73 Cb 1.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k49 h ALA 73 CO 0.40 -0.28 0.00 -1.71 0.00 0.00 0.00 179.25 177.66 2k49 n ASN 74 N -4.49 0.00 -0.85 0.00 5.15 -1.26 -4.84 115.26 108.96 2k49 n ASN 74 Ca 0.15 -0.31 -0.09 0.00 -0.60 0.00 0.00 54.58 53.73 2k49 n ASN 74 Cb 0.52 -0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.63 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 -1.12 -0.17 -3.01 1.20 8.25 0.98 -5.01 115.22 116.34 2k49 n HIS 75 Ca 0.11 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.18 2k49 n HIS 75 Cb 0.09 -2.03 -0.06 0.00 1.12 0.00 0.00 29.99 29.11 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 -3.43 4.51 -0.65 -0.41 -2.07 -1.25 -4.84 119.66 111.52 2k49 s GLN 76 Ca 0.00 1.09 -0.27 0.00 -1.82 0.00 0.00 55.36 54.36 2k49 s GLN 76 Cb 0.00 -3.28 0.02 0.00 -1.09 0.00 0.00 33.01 28.66 2k49 s GLN 76 CO 0.00 0.52 1.35 0.42 -1.32 0.00 0.00 175.29 176.27 2k49 s ILE 77 N -0.93 3.76 -0.09 3.63 -1.09 -1.26 -2.75 121.20 122.46 2k49 s ILE 77 Ca 0.35 0.55 0.19 0.00 -2.23 0.00 0.00 60.65 59.52 2k49 s ILE 77 Cb -0.22 -4.67 -0.29 0.00 -1.58 0.00 0.00 42.46 35.70 2k49 s ILE 77 CO 0.25 -1.50 0.30 2.30 -1.23 0.00 0.00 174.94 175.06 2k49 n ILE 78 N 6.64 0.52 -3.93 2.92 -5.35 -0.76 -4.88 119.36 114.52 2k49 n ILE 78 Ca 0.08 -0.61 -0.12 0.00 -0.27 0.00 0.00 62.75 61.83 2k49 n ILE 78 Cb 0.49 -0.18 -0.13 0.00 -1.74 0.00 0.00 39.64 38.08 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -4.77 0.09 -0.05 3.28 0.00 -0.88 -4.41 107.32 100.59 2k49 s GLY 79 Ca -0.08 -0.16 0.01 0.00 0.00 0.00 0.00 44.72 44.48 2k49 s GLY 79 CO 0.83 -0.18 -0.04 -1.59 0.00 0.00 0.00 173.10 172.12 2k49 s THR 80 N -0.34 0.55 0.64 0.90 2.01 0.12 -0.73 115.64 118.80 2k49 s THR 80 Ca -0.03 -0.10 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 2k49 s THR 80 Cb -0.02 -0.59 -0.01 0.00 0.01 0.00 0.00 72.50 71.88 2k49 s THR 80 CO -0.00 0.24 1.10 -0.44 -0.69 0.00 0.00 174.62 174.83 2k49 s SER 81 N 1.10 5.25 1.02 3.53 0.01 -0.70 -0.64 113.70 123.27 2k49 s SER 81 Ca -0.08 1.98 -0.17 0.00 1.31 0.00 0.00 55.95 58.99 2k49 s SER 81 Cb -0.14 -2.55 0.23 0.00 0.21 0.00 0.00 66.02 63.77 2k49 s SER 81 CO -0.01 -1.53 1.29 0.00 0.41 0.00 0.00 173.24 173.40 2k49 n GLN 82 N -2.30 -1.41 -2.62 12.44 1.13 -1.18 -4.87 117.38 118.58 2k49 n GLN 82 Ca 0.10 -2.00 -0.40 0.00 -1.94 0.00 0.00 57.00 52.76 2k49 n GLN 82 Cb 0.52 -1.37 -0.05 0.00 0.11 0.00 0.00 30.24 29.45 2k49 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k49 s MET 83 N -5.83 4.73 0.27 -1.09 0.23 -1.26 -4.85 119.30 111.50 2k49 s MET 83 Ca 0.74 1.63 0.03 0.00 -1.03 0.00 0.00 55.69 57.05 2k49 s MET 83 Cb -0.02 -3.26 -0.01 0.00 -1.53 0.00 0.00 34.83 30.01 2k49 s MET 83 CO 0.52 0.32 0.10 0.66 -2.03 0.00 0.00 175.02 174.59 2k49 n TYR 84 N 1.65 0.08 0.00 3.16 4.02 -1.25 -5.08 117.16 119.74 2k49 n TYR 84 Ca -0.01 -1.74 0.00 0.00 -0.01 0.00 0.00 57.90 56.14 2k49 n TYR 84 Cb 0.46 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 2k49 n TYR 84 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2k49 n SER 85 N -1.71 0.00 -4.79 7.72 7.64 -1.26 -4.20 113.62 117.02 2k49 n SER 85 Ca -0.04 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.47 2k49 n SER 85 Cb 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 2k49 n SER 85 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2k49 s SER 86 N -0.89 6.53 0.06 6.43 0.15 -1.26 -4.67 113.70 120.06 2k49 s SER 86 Ca 0.00 0.63 -0.20 0.00 0.70 0.00 0.00 55.95 57.08 2k49 s SER 86 Cb 0.00 -2.18 -0.11 0.00 -1.71 0.00 0.00 66.02 62.01 2k49 s SER 86 CO 0.00 0.22 1.49 0.71 1.20 0.00 0.00 173.24 176.86 2k49 h THR 87 N 4.28 1.26 -0.17 6.45 1.35 -1.96 -2.05 112.91 122.08 2k49 h THR 87 Ca -0.47 -0.87 0.03 0.00 -0.55 0.00 0.00 66.41 64.55 2k49 h THR 87 Cb 1.19 1.49 -0.03 0.00 -1.73 0.00 0.00 68.15 69.07 2k49 h THR 87 CO 0.68 0.26 -0.03 0.00 -0.25 0.00 0.00 175.52 176.19 2k49 h ALA 88 N 0.77 0.12 -0.35 6.62 0.00 -2.00 -1.47 119.26 122.94 2k49 h ALA 88 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.06 2k49 h ALA 88 Cb 0.40 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2k49 h ALA 88 CO 0.01 -0.47 0.24 0.00 0.00 0.00 0.00 179.25 179.03 2k49 h ALA 89 N 1.16 1.92 0.12 0.00 0.00 -1.98 -1.72 119.26 118.76 2k49 h ALA 89 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k49 h ALA 89 Cb 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k49 h ALA 89 CO -0.16 0.03 -0.06 -0.09 0.00 0.00 0.00 179.25 178.97 2k49 h ARG 90 N 0.33 -0.16 -0.04 0.00 1.12 -0.54 -2.36 114.38 112.72 2k49 h ARG 90 Ca 0.15 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.03 2k49 h ARG 90 Cb 0.18 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.17 2k49 h ARG 90 CO -0.03 0.19 0.03 -0.44 -3.11 0.00 0.00 179.97 176.61 2k49 h ASP 91 N -0.53 0.04 0.03 -3.80 5.19 -1.02 -0.94 116.42 115.39 2k49 h ASP 91 Ca -0.02 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 2k49 h ASP 91 Cb 0.42 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.92 2k49 h ASP 91 CO 0.03 0.03 -0.02 0.78 -3.12 0.00 0.00 179.24 176.94 2k49 h ASN 92 N 0.05 -0.06 -0.62 6.45 2.35 -1.19 -1.81 115.58 120.75 2k49 h ASN 92 Ca 0.02 0.01 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 2k49 h ASN 92 Cb 0.01 0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 2k49 h ASN 92 CO -0.00 -0.04 0.41 1.23 -1.65 0.00 0.00 177.43 177.38 2k49 h GLY 93 N -0.06 0.73 1.59 2.83 0.00 -0.68 -0.43 103.07 107.06 2k49 h GLY 93 Ca 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 2k49 h GLY 93 CO -0.01 0.16 0.08 -2.22 0.00 0.00 0.00 176.54 174.56 2k49 h ILE 94 N 0.56 1.17 -0.27 2.60 2.04 -0.76 -1.43 117.51 121.42 2k49 h ILE 94 Ca 0.28 -0.59 -0.02 0.00 1.00 0.00 0.00 64.86 65.52 2k49 h ILE 94 Cb 0.36 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2k49 h ILE 94 CO -0.08 0.21 0.09 0.11 0.00 0.00 0.00 178.15 178.48 2k49 h LYS 95 N 0.51 0.42 -0.16 2.37 1.57 -0.25 -2.11 116.57 118.92 2k49 h LYS 95 Ca 0.12 -0.09 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2k49 h LYS 95 Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 2k49 h LYS 95 CO -0.00 0.48 -0.02 1.03 -0.57 0.00 0.00 179.45 180.36 2k49 h SER 96 N 0.27 -0.11 -0.48 0.86 0.87 -0.83 -2.33 113.55 111.80 2k49 h SER 96 Ca 0.09 0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2k49 h SER 96 Cb 0.23 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2k49 h SER 96 CO -0.00 -0.04 -0.00 1.62 -0.53 0.00 0.00 176.83 177.88 2k49 h VAL 97 N 0.02 1.26 0.00 2.23 3.04 -1.29 0.59 116.25 122.11 2k49 h VAL 97 Ca 0.08 -1.07 -0.02 0.00 -1.01 0.00 0.00 66.70 64.68 2k49 h VAL 97 Cb 0.11 1.01 -0.00 0.00 -2.01 0.00 0.00 31.29 30.39 2k49 h VAL 97 CO -0.15 0.37 -0.09 0.00 -1.01 0.00 0.00 177.57 176.69 2k49 h MET 98 N 0.70 0.00 0.19 4.17 -0.00 -1.26 0.58 114.93 119.31 2k49 h MET 98 Ca 0.13 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.83 2k49 h MET 98 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.11 2k49 h MET 98 CO 0.03 0.09 -0.09 0.93 -0.00 0.00 0.00 176.91 177.87 2k49 h GLU 99 N 0.00 -0.25 0.00 -0.10 5.08 -1.11 -3.33 114.58 114.87 2k49 h GLU 99 Ca -0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2k49 h GLU 99 Cb 0.17 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2k49 h GLU 99 CO 0.01 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.22 2k49 n ASN 100 N -4.94 0.00 0.09 1.42 3.02 0.17 -0.90 115.26 114.12 2k49 n ASN 100 Ca -0.07 0.15 0.12 0.00 -0.03 0.00 0.00 54.58 54.75 2k49 n ASN 100 Cb 0.24 -0.33 0.20 0.00 -0.61 0.00 0.00 39.78 39.28 2k49 n ASN 100 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2k49 h GLY 101 N 2.58 0.00 -0.99 7.41 0.00 0.02 -3.33 103.07 108.77 2k49 h GLY 101 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k49 h GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 2k49 n LYS 102 N -2.31 1.88 -3.75 4.80 5.02 -0.08 -4.09 118.16 119.64 2k49 n LYS 102 Ca 0.03 -1.30 -0.34 0.00 -2.02 0.00 0.00 58.31 54.68 2k49 n LYS 102 Cb 0.46 -1.46 -0.05 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.91 5.29 -2.36 -0.18 -1.32 -1.24 -4.99 115.64 108.92 2k49 s THR 103 Ca 0.35 0.16 0.23 0.00 -1.21 0.00 0.00 61.69 61.22 2k49 s THR 103 Cb 0.20 -3.58 0.48 0.00 -1.51 0.00 0.00 72.50 68.10 2k49 s THR 103 CO 0.31 0.34 1.60 0.35 -2.21 0.00 0.00 174.62 175.01 2k49 n THR 104 N 1.03 0.15 -1.86 5.08 -2.24 -1.26 -4.83 114.28 110.35 2k49 n THR 104 Ca -0.10 -0.33 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 2k49 n THR 104 Cb 0.53 0.44 -0.06 0.00 -2.10 0.00 0.00 70.33 69.14 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 -1.85 3.28 -0.28 4.28 2.01 -1.26 -4.91 115.64 116.90 2k49 s THR 105 Ca 0.34 -0.22 -0.03 0.00 0.31 0.00 0.00 61.69 62.09 2k49 s THR 105 Cb 0.19 -3.62 0.03 0.00 0.01 0.00 0.00 72.50 69.11 2k49 s THR 105 CO 0.29 -0.58 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.00 2k49 s ILE 106 N 11.92 3.15 -0.21 1.82 1.01 -1.26 -1.92 121.20 135.71 2k49 s ILE 106 Ca 0.79 -1.14 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2k49 s ILE 106 Cb -0.09 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.63 2k49 s ILE 106 CO 0.03 0.02 0.44 -0.54 0.00 0.00 0.00 174.94 174.89 2k49 s LYS 107 N 1.32 4.17 -0.15 2.79 1.02 0.84 -4.97 119.74 124.76 2k49 s LYS 107 Ca -0.02 0.27 -0.21 0.00 0.02 0.00 0.00 55.97 56.03 2k49 s LYS 107 Cb -0.18 -3.55 -0.03 0.00 -0.52 0.00 0.00 37.83 33.54 2k49 s LYS 107 CO -0.01 -0.10 0.63 0.34 -0.92 0.00 0.00 175.35 175.29 2k49 s ASP 108 N 1.12 6.77 -0.19 2.83 -1.08 -1.26 -1.36 116.67 123.50 2k49 s ASP 108 Ca 0.21 0.93 0.13 0.00 -0.52 0.00 0.00 52.55 53.30 2k49 s ASP 108 Cb -0.15 -2.36 0.39 0.00 -1.46 0.00 0.00 42.92 39.34 2k49 s ASP 108 CO 0.09 -0.20 1.21 0.18 0.52 0.00 0.00 175.17 176.97 2k49 n LEU 109 N 4.53 2.65 -0.11 -1.34 4.77 0.15 -4.55 117.00 123.11 2k49 n LEU 109 Ca -0.02 -3.68 -0.18 0.00 -0.03 0.00 0.00 56.01 52.10 2k49 n LEU 109 Cb 0.50 -0.51 -0.12 0.00 -2.33 0.00 0.00 43.42 40.96 2k49 n LEU 109 CO 0.45 1.21 -1.27 0.35 -1.33 0.00 0.00 177.39 176.79 2k49 n THR 110 N -1.20 1.52 0.07 -5.08 -2.24 -1.24 -3.34 114.28 102.77 2k49 n THR 110 Ca 0.19 -0.59 -0.11 0.00 -2.27 0.00 0.00 64.05 61.26 2k49 n THR 110 Cb 0.69 -1.42 -0.01 0.00 -2.10 0.00 0.00 70.33 67.48 2k49 n THR 110 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k49 h LEU 111 N 0.01 0.46 -8.55 3.22 3.38 -1.93 -3.45 115.31 108.45 2k49 h LEU 111 Ca -0.56 -0.35 -0.22 0.00 0.09 0.00 0.00 57.88 56.84 2k49 h LEU 111 Cb 1.93 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 42.39 2k49 h LEU 111 CO -0.06 1.13 -0.61 -1.83 0.09 0.00 0.00 178.44 177.15 2k49 s GLU 112 N -3.37 1.15 -1.41 1.13 -1.05 -1.26 -4.88 118.70 109.02 2k49 s GLU 112 Ca -0.05 -1.58 0.00 0.00 -0.15 0.00 0.00 54.97 53.19 2k49 s GLU 112 Cb 0.10 0.27 0.00 0.00 -0.44 0.00 0.00 34.13 34.05 2k49 s GLU 112 CO 0.85 -0.37 0.00 1.58 0.95 0.00 0.00 175.26 178.27 2k49 n HIS 113 N -0.24 -0.09 0.40 4.83 -0.00 -1.26 -4.26 115.22 114.60 2k49 n HIS 113 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.66 2k49 n HIS 113 Cb 0.65 -2.80 0.05 0.00 -0.00 0.00 0.00 29.99 27.89 2k49 n HIS 113 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2k49 n HIS 114 N -2.09 0.81 1.22 1.57 1.44 -1.21 -4.19 115.22 112.77 2k49 n HIS 114 Ca -0.13 -0.86 0.03 0.00 -2.01 0.00 0.00 57.72 54.75 2k49 n HIS 114 Cb 0.56 -0.44 0.10 0.00 0.12 0.00 0.00 29.99 30.33 2k49 n HIS 114 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2k49 n HIS 115 N 0.08 0.32 -2.27 -1.40 -0.00 -1.26 -4.92 115.22 105.77 2k49 n HIS 115 Ca 0.16 -0.15 -0.39 0.00 -0.00 0.00 0.00 57.72 57.34 2k49 n HIS 115 Cb 0.81 -0.02 -0.02 0.00 -0.00 0.00 0.00 29.99 30.76 2k49 n HIS 115 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2k49 s HIS 116 N -1.69 3.06 -0.11 1.57 3.76 -1.26 -4.94 115.29 115.69 2k49 s HIS 116 Ca 0.15 1.54 0.25 0.00 -0.15 0.00 0.00 55.06 56.85 2k49 s HIS 116 Cb 0.08 -3.43 0.73 0.00 1.11 0.00 0.00 32.58 31.07 2k49 s HIS 116 CO 0.10 -1.39 1.75 1.25 -0.85 0.00 0.00 174.74 175.59 2k49 h HIS 117 N 2.71 0.00 0.00 1.40 2.76 -1.99 -3.50 115.15 116.53 2k49 h HIS 117 Ca -0.49 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2k49 h HIS 117 Cb 1.23 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.19 2k49 h HIS 117 CO 0.55 0.13 0.00 -2.39 -1.30 0.00 0.00 177.93 174.92