#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 0.46 -4.51 7.83 7.64 -1.26 -4.84 113.62 118.94 2k49 n SER 2 Ca 0.00 0.57 -0.29 0.00 1.01 0.00 0.00 58.87 60.15 2k49 n SER 2 Cb 0.00 -0.68 0.15 0.00 -1.01 0.00 0.00 64.21 62.67 2k49 n SER 2 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2k49 s GLY 3 N -3.34 1.66 0.20 0.23 0.00 -1.26 -4.16 107.32 100.64 2k49 s GLY 3 Ca 0.10 -0.86 -0.13 0.00 0.00 0.00 0.00 44.72 43.83 2k49 s GLY 3 CO 0.49 -0.22 0.42 0.66 0.00 0.00 0.00 173.10 174.45 2k49 s TRP 4 N -3.60 0.21 0.03 1.90 -2.14 -1.07 -4.86 118.94 109.42 2k49 s TRP 4 Ca 0.67 -0.56 0.02 0.00 2.66 0.00 0.00 56.10 58.89 2k49 s TRP 4 Cb -0.09 0.17 -0.04 0.00 -3.10 0.00 0.00 33.47 30.41 2k49 s TRP 4 CO 0.52 -0.86 0.06 0.71 -2.66 0.00 0.00 176.95 174.71 2k49 s TYR 5 N -3.95 3.19 -0.23 1.66 1.51 -0.78 -2.10 117.35 116.64 2k49 s TYR 5 Ca 0.16 0.12 -0.01 0.00 -1.01 0.00 0.00 57.07 56.32 2k49 s TYR 5 Cb 0.01 -1.67 0.07 0.00 -0.11 0.00 0.00 41.96 40.26 2k49 s TYR 5 CO 0.01 0.52 0.02 -1.21 -1.11 0.00 0.00 175.55 173.78 2k49 s GLU 6 N -1.97 1.01 -0.40 -0.62 2.02 -0.03 -0.20 118.70 118.51 2k49 s GLU 6 Ca 0.25 -0.78 -0.21 0.00 0.02 0.00 0.00 54.97 54.25 2k49 s GLU 6 Cb -0.12 -2.28 0.02 0.00 0.10 0.00 0.00 34.13 31.85 2k49 s GLU 6 CO 0.16 -0.70 0.67 -1.17 0.02 0.00 0.00 175.26 174.24 2k49 s LEU 7 N 1.63 4.35 0.24 1.80 2.96 0.29 -1.03 118.68 128.92 2k49 s LEU 7 Ca -0.00 -0.08 0.12 0.00 -0.22 0.00 0.00 54.13 53.94 2k49 s LEU 7 Cb -0.18 -2.80 -0.05 0.00 0.50 0.00 0.00 46.19 43.66 2k49 s LEU 7 CO -0.11 -0.73 -0.22 -0.94 -1.32 0.00 0.00 176.35 173.04 2k49 s SER 8 N 1.93 3.53 -0.14 3.68 1.04 0.19 -0.13 113.70 123.80 2k49 s SER 8 Ca 0.25 -0.96 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 2k49 s SER 8 Cb -0.14 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.66 2k49 s SER 8 CO 0.18 0.07 0.14 -0.75 0.98 0.00 0.00 173.24 173.86 2k49 s LYS 9 N -3.15 3.58 0.69 4.02 2.20 -1.26 -0.99 119.74 124.83 2k49 s LYS 9 Ca 0.26 -0.15 -0.10 0.00 -0.36 0.00 0.00 55.97 55.63 2k49 s LYS 9 Cb -0.06 -3.23 0.02 0.00 -1.51 0.00 0.00 37.83 33.05 2k49 s LYS 9 CO 0.13 0.69 1.05 0.45 -0.36 0.00 0.00 175.35 177.31 2k49 s SER 10 N -0.76 5.34 0.53 1.43 0.15 0.53 -4.76 113.70 116.16 2k49 s SER 10 Ca 0.14 0.94 0.36 0.00 0.70 0.00 0.00 55.95 58.08 2k49 s SER 10 Cb -0.12 -1.75 1.84 0.00 -1.71 0.00 0.00 66.02 64.28 2k49 s SER 10 CO 0.03 -1.34 2.08 0.28 1.20 0.00 0.00 173.24 175.48 2k49 h SER 11 N -0.57 0.00 -0.20 5.45 0.02 -1.07 0.11 113.55 117.29 2k49 h SER 11 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2k49 h SER 11 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2k49 h SER 11 CO 0.63 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.91 2k49 n ASN 12 N -2.80 1.42 -0.04 3.07 3.02 -1.26 -4.89 115.26 113.77 2k49 n ASN 12 Ca -0.02 -1.80 -0.01 0.00 -0.03 0.00 0.00 54.58 52.72 2k49 n ASN 12 Cb 0.11 -0.13 -0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.20 -5.06 -4.74 6.41 8.00 0.39 -4.99 116.55 116.77 2k49 n ASP 13 Ca 0.13 0.01 -0.40 0.00 0.71 0.00 0.00 54.79 55.24 2k49 n ASP 13 Cb 0.26 -2.60 -0.05 0.00 -0.02 0.00 0.00 41.12 38.71 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k49 s GLN 14 N -1.45 4.62 0.01 -1.24 -0.21 -1.26 -4.75 119.66 115.38 2k49 s GLN 14 Ca 0.00 1.27 -0.20 0.00 0.02 0.00 0.00 55.36 56.45 2k49 s GLN 14 Cb 0.00 -3.36 -0.06 0.00 1.00 0.00 0.00 33.01 30.60 2k49 s GLN 14 CO 0.00 0.29 0.60 -0.06 -2.12 0.00 0.00 175.29 173.99 2k49 s PHE 15 N -0.18 3.71 -0.10 0.91 0.08 -0.29 -0.35 117.98 121.75 2k49 s PHE 15 Ca 0.42 1.23 -0.05 0.00 0.12 0.00 0.00 56.93 58.64 2k49 s PHE 15 Cb -0.22 -2.60 0.05 0.00 -0.57 0.00 0.00 43.02 39.67 2k49 s PHE 15 CO 0.27 0.39 0.25 -1.59 -0.10 0.00 0.00 175.22 174.44 2k49 s LYS 16 N -0.36 0.21 0.07 0.44 -2.85 -0.16 -0.55 119.74 116.54 2k49 s LYS 16 Ca 0.31 0.52 0.06 0.00 -1.00 0.00 0.00 55.97 55.86 2k49 s LYS 16 Cb -0.19 -0.11 -0.04 0.00 -2.06 0.00 0.00 37.83 35.44 2k49 s LYS 16 CO 0.18 -0.16 -0.10 -0.59 0.10 0.00 0.00 175.35 174.78 2k49 s PHE 17 N 1.20 2.77 0.22 1.78 -0.71 -1.26 -0.64 117.98 121.34 2k49 s PHE 17 Ca -0.09 -0.13 0.11 0.00 -1.04 0.00 0.00 56.93 55.78 2k49 s PHE 17 Cb -0.10 -1.49 -0.05 0.00 -1.21 0.00 0.00 43.02 40.18 2k49 s PHE 17 CO -0.08 0.39 -0.20 0.14 -1.34 0.00 0.00 175.22 174.13 2k49 s VAL 18 N -1.12 2.24 -0.18 -2.49 -7.23 -0.20 -2.09 120.40 109.32 2k49 s VAL 18 Ca 0.20 -2.18 0.01 0.00 -1.81 0.00 0.00 61.98 58.19 2k49 s VAL 18 Cb -0.11 -2.13 0.02 0.00 0.56 0.00 0.00 36.38 34.71 2k49 s VAL 18 CO 0.11 -0.32 -0.20 -0.22 -0.31 0.00 0.00 175.10 174.17 2k49 s LEU 19 N -3.07 2.16 -0.08 1.32 2.96 -0.09 -0.85 118.68 121.02 2k49 s LEU 19 Ca 0.24 -0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 53.46 2k49 s LEU 19 Cb -0.06 -1.49 -0.04 0.00 0.50 0.00 0.00 46.19 45.11 2k49 s LEU 19 CO 0.11 0.01 0.13 -0.54 -1.32 0.00 0.00 176.35 174.74 2k49 s LYS 20 N 1.25 3.37 0.00 1.98 1.02 -0.89 -1.28 119.74 125.19 2k49 s LYS 20 Ca 0.04 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.80 2k49 s LYS 20 Cb -0.13 -3.11 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2k49 s LYS 20 CO -0.12 0.74 0.72 0.00 -0.92 0.00 0.00 175.35 175.78 2k49 n ALA 21 N 1.69 2.38 0.00 5.17 0.00 -0.12 -2.59 120.51 127.05 2k49 n ALA 21 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k49 n ALA 21 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2k49 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k49 n GLY 22 N 0.35 1.83 0.00 0.00 0.00 -1.26 -4.52 105.19 101.59 2k49 n GLY 22 Ca 0.00 -0.28 0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 2.13 0.00 0.00 1.61 6.94 -1.26 -4.86 115.26 119.81 2k49 n ASN 23 Ca 0.00 0.32 0.00 0.00 -0.02 0.00 0.00 54.58 54.88 2k49 n ASN 23 Cb 0.00 -0.43 0.00 0.00 -2.36 0.00 0.00 39.78 36.99 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 0.77 0.72 3.68 4.83 0.00 -1.26 -5.08 105.19 108.84 2k49 n GLY 24 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 2k49 n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k49 s GLU 25 N -0.52 4.33 -0.66 1.61 2.12 -1.26 -4.86 118.70 119.46 2k49 s GLU 25 Ca 0.00 1.55 -0.28 0.00 0.36 0.00 0.00 54.97 56.60 2k49 s GLU 25 Cb 0.00 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.82 2k49 s GLU 25 CO 0.00 -0.49 1.23 0.08 -0.54 0.00 0.00 175.26 175.54 2k49 s VAL 26 N 2.55 3.88 -0.01 3.70 1.01 -1.26 -0.95 120.40 129.32 2k49 s VAL 26 Ca 0.52 0.66 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 2k49 s VAL 26 Cb -0.21 -4.82 -0.28 0.00 0.00 0.00 0.00 36.38 31.07 2k49 s VAL 26 CO 0.17 -1.59 0.81 0.16 0.00 0.00 0.00 175.10 174.65 2k49 h ILE 27 N 6.09 1.09 -3.36 2.22 3.07 -1.55 -3.46 117.51 121.62 2k49 h ILE 27 Ca -0.26 -2.73 -0.49 0.00 1.55 0.00 0.00 64.86 62.92 2k49 h ILE 27 Cb 1.05 2.75 -0.35 0.00 -0.27 0.00 0.00 36.82 40.00 2k49 h ILE 27 CO 1.23 0.82 -0.80 -0.76 -1.05 0.00 0.00 178.15 177.59 2k49 s LEU 28 N -7.01 1.40 -0.21 0.16 2.01 -1.18 -4.01 118.68 109.83 2k49 s LEU 28 Ca -0.10 -0.25 -0.03 0.00 0.01 0.00 0.00 54.13 53.76 2k49 s LEU 28 Cb 0.07 -0.73 -0.00 0.00 0.01 0.00 0.00 46.19 45.54 2k49 s LEU 28 CO 0.85 -0.04 -0.07 -0.89 1.01 0.00 0.00 176.35 177.21 2k49 s THR 29 N 1.06 3.13 0.58 5.49 2.01 -0.20 -0.91 115.64 126.80 2k49 s THR 29 Ca -0.08 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 2k49 s THR 29 Cb -0.14 -2.41 0.14 0.00 0.01 0.00 0.00 72.50 70.09 2k49 s THR 29 CO -0.01 0.44 0.65 -0.24 -0.69 0.00 0.00 174.62 174.78 2k49 n SER 30 N 4.76 -0.68 -1.93 3.53 2.88 -0.89 -1.00 113.62 120.29 2k49 n SER 30 Ca -0.19 -1.08 0.00 0.00 -1.33 0.00 0.00 58.87 56.28 2k49 n SER 30 Cb 0.51 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.43 2k49 n SER 30 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2k49 n GLU 31 N -2.86 0.82 -3.34 -1.46 0.28 -1.02 -4.85 120.64 108.21 2k49 n GLU 31 Ca 0.09 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.63 2k49 n GLU 31 Cb 0.31 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.13 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 6.14 0.43 -1.84 1.43 -1.26 -4.40 118.68 119.17 2k49 s LEU 32 Ca 0.00 -1.81 -0.21 0.00 -1.03 0.00 0.00 54.13 51.07 2k49 s LEU 32 Cb 0.00 -2.19 -0.11 0.00 0.03 0.00 0.00 46.19 43.93 2k49 s LEU 32 CO 0.00 -0.84 0.96 -0.31 0.23 0.00 0.00 176.35 176.39 2k49 s TYR 33 N 1.56 3.32 -1.72 0.29 1.51 0.28 -4.85 117.35 117.75 2k49 s TYR 33 Ca 0.03 1.62 0.24 0.00 -1.01 0.00 0.00 57.07 57.96 2k49 s TYR 33 Cb -0.29 -2.88 0.39 0.00 -0.11 0.00 0.00 41.96 39.07 2k49 s TYR 33 CO 0.02 -0.15 1.33 0.25 -1.11 0.00 0.00 175.55 175.90 2k49 n THR 34 N -0.56 0.00 -4.18 -0.71 -2.24 -1.26 -1.14 114.28 104.19 2k49 n THR 34 Ca 0.07 -0.15 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 2k49 n THR 34 Cb 0.53 0.73 -0.15 0.00 -2.10 0.00 0.00 70.33 69.34 2k49 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k49 s GLY 35 N -2.58 0.34 0.04 3.38 0.00 -1.26 -4.92 107.32 102.31 2k49 s GLY 35 Ca 0.20 -0.17 -0.25 0.00 0.00 0.00 0.00 44.72 44.50 2k49 s GLY 35 CO 0.59 0.02 1.51 1.70 0.00 0.00 0.00 173.10 176.92 2k49 h LYS 36 N 6.41 -0.13 -0.61 2.90 3.64 -1.96 -2.44 116.57 124.39 2k49 h LYS 36 Ca -0.32 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.09 2k49 h LYS 36 Cb 1.17 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.99 2k49 h LYS 36 CO 0.49 0.09 0.40 0.77 -2.27 0.00 0.00 179.45 178.94 2k49 h SER 37 N -0.33 0.62 -0.52 4.20 0.02 -1.98 -0.88 113.55 114.68 2k49 h SER 37 Ca -0.01 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2k49 h SER 37 Cb 0.27 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 2k49 h SER 37 CO 0.02 0.43 0.31 1.23 -1.14 0.00 0.00 176.83 177.68 2k49 h GLY 38 N 0.73 0.76 0.89 -3.77 0.00 -1.93 0.94 103.07 100.68 2k49 h GLY 38 Ca 0.24 -0.32 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 2k49 h GLY 38 CO -0.06 0.31 0.05 0.00 0.00 0.00 0.00 176.54 176.83 2k49 h ALA 39 N 1.15 0.41 -0.37 3.60 0.00 -0.89 -0.61 119.26 122.55 2k49 h ALA 39 Ca 0.19 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k49 h ALA 39 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k49 h ALA 39 CO -0.03 0.11 0.21 0.52 0.00 0.00 0.00 179.25 180.05 2k49 h MET 40 N 0.34 0.50 -0.11 0.00 2.07 -1.03 -0.23 114.93 116.47 2k49 h MET 40 Ca 0.09 -0.05 0.02 0.00 -2.07 0.00 0.00 59.70 57.69 2k49 h MET 40 Cb 0.35 -0.10 -0.00 0.00 -1.87 0.00 0.00 31.60 29.97 2k49 h MET 40 CO 0.01 0.40 0.07 -0.91 1.07 0.00 0.00 176.91 177.55 2k49 h ASN 41 N 0.47 0.04 -0.88 1.22 4.21 -0.77 0.22 115.58 120.08 2k49 h ASN 41 Ca 0.13 -0.00 0.03 0.00 1.21 0.00 0.00 56.30 57.67 2k49 h ASN 41 Cb 0.03 -0.01 -0.05 0.00 -1.12 0.00 0.00 38.32 37.17 2k49 h ASN 41 CO -0.02 0.03 0.58 1.23 -1.29 0.00 0.00 177.43 177.96 2k49 h GLY 42 N 0.05 1.26 0.92 2.83 0.00 0.58 0.72 103.07 109.43 2k49 h GLY 42 Ca 0.05 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2k49 h GLY 42 CO -0.00 0.40 0.09 -2.22 0.00 0.00 0.00 176.54 174.80 2k49 h ILE 43 N 1.13 1.13 -0.99 2.60 2.04 -0.09 -0.58 117.51 122.75 2k49 h ILE 43 Ca 0.34 -0.36 0.11 0.00 1.00 0.00 0.00 64.86 65.95 2k49 h ILE 43 Cb -0.02 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.02 2k49 h ILE 43 CO -0.10 0.12 0.63 -0.33 0.00 0.00 0.00 178.15 178.47 2k49 h GLU 44 N 0.16 0.97 -0.82 2.37 4.39 -1.03 -1.27 114.58 119.35 2k49 h GLU 44 Ca 0.06 -0.06 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 2k49 h GLU 44 Cb 0.11 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 2k49 h GLU 44 CO -0.01 0.64 0.37 0.77 -1.16 0.00 0.00 179.01 179.62 2k49 h SER 45 N 1.00 1.09 -0.57 1.42 0.02 -0.30 -2.25 113.55 113.97 2k49 h SER 45 Ca 0.48 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 2k49 h SER 45 Cb 0.44 -0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 2k49 h SER 45 CO -0.24 0.94 0.28 0.58 -1.14 0.00 0.00 176.83 177.25 2k49 h VAL 46 N 1.18 0.91 -0.55 2.27 2.07 0.04 0.16 116.25 122.33 2k49 h VAL 46 Ca 0.28 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.67 2k49 h VAL 46 Cb 0.16 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.23 2k49 h VAL 46 CO -0.03 0.09 0.29 1.56 0.02 0.00 0.00 177.57 179.50 2k49 h GLN 47 N 0.52 0.54 -0.50 1.57 4.20 -0.96 0.15 115.11 120.62 2k49 h GLN 47 Ca 0.26 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.83 2k49 h GLN 47 Cb 0.21 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2k49 h GLN 47 CO -0.20 0.36 -0.13 1.15 -0.67 0.00 0.00 178.83 179.34 2k49 h THR 48 N 0.55 1.27 0.00 -0.54 2.02 -0.89 -3.30 112.91 112.02 2k49 h THR 48 Ca 0.24 -1.27 -0.18 0.00 0.77 0.00 0.00 66.41 65.98 2k49 h THR 48 Cb 0.14 1.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 2k49 h THR 48 CO -0.16 0.44 -0.92 0.78 0.37 0.00 0.00 175.52 176.04 2k49 h ASN 49 N 0.85 0.00 -0.65 4.18 2.35 -0.22 -3.37 115.58 118.72 2k49 h ASN 49 Ca 0.13 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 56.02 2k49 h ASN 49 Cb 0.67 0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.93 2k49 h ASN 49 CO 0.05 0.79 -0.03 0.28 -1.65 0.00 0.00 177.43 176.87 2k49 h SER 50 N 0.00 -0.34 0.77 5.81 0.02 -0.79 0.37 113.55 119.39 2k49 h SER 50 Ca -0.04 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2k49 h SER 50 Cb 1.64 0.31 0.00 0.00 0.14 0.00 0.00 62.40 64.49 2k49 h SER 50 CO 0.10 -0.14 0.00 -0.81 -1.14 0.00 0.00 176.83 174.83 2k49 n PRO 51 N -5.32 0.12 -3.39 3.45 -0.04 -1.26 -4.43 135.00 124.13 2k49 n PRO 51 Ca 0.10 0.30 -0.45 0.00 -0.04 0.00 0.00 63.50 63.40 2k49 n PRO 51 Cb 0.37 -1.71 -0.03 0.00 -0.04 0.00 0.00 33.50 32.09 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 -3.16 5.30 -0.04 0.52 1.01 0.13 -4.90 121.20 120.07 2k49 s ILE 52 Ca 0.07 -2.48 0.29 0.00 0.00 0.00 0.00 60.65 58.52 2k49 s ILE 52 Cb 0.11 -4.30 0.30 0.00 0.01 0.00 0.00 42.46 38.57 2k49 s ILE 52 CO 0.39 -1.00 1.87 -0.08 0.00 0.00 0.00 174.94 176.12 2k49 h GLU 53 N 7.74 0.00 0.00 2.79 4.81 -1.78 -1.55 114.58 126.59 2k49 h GLU 53 Ca 0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2k49 h GLU 53 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2k49 h GLU 53 CO 0.76 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.04 2k49 n ALA 54 N -1.88 1.66 0.65 2.92 0.00 -1.26 -1.21 120.51 121.39 2k49 n ALA 54 Ca -0.01 -0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.45 2k49 n ALA 54 Cb 0.12 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.28 1.98 -2.76 0.00 5.12 -0.58 -4.81 116.66 114.32 2k49 n ARG 55 Ca 0.05 -0.54 -0.43 0.00 -1.93 0.00 0.00 57.85 55.01 2k49 n ARG 55 Cb 0.08 -1.20 -0.03 0.00 -1.16 0.00 0.00 32.46 30.15 2k49 n ARG 55 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 2k49 s TYR 56 N -1.91 2.85 -0.36 -1.55 1.51 -0.35 -2.50 117.35 115.04 2k49 s TYR 56 Ca 0.10 -1.14 -0.27 0.00 -1.01 0.00 0.00 57.07 54.75 2k49 s TYR 56 Cb 0.11 -4.47 -0.06 0.00 -0.11 0.00 0.00 41.96 37.44 2k49 s TYR 56 CO 0.42 -1.69 2.28 0.00 -1.11 0.00 0.00 175.55 175.45 2k49 s ALA 57 N 3.73 2.21 -0.49 3.71 0.00 0.15 -4.82 121.76 126.24 2k49 s ALA 57 Ca 0.39 0.36 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 2k49 s ALA 57 Cb -0.03 -4.21 0.02 0.00 0.00 0.00 0.00 23.12 18.91 2k49 s ALA 57 CO -0.10 -3.60 1.25 0.15 0.00 0.00 0.00 175.76 173.46 2k49 s LYS 58 N 7.23 3.59 -0.01 0.00 -0.14 -1.26 -1.95 119.74 127.20 2k49 s LYS 58 Ca 0.97 0.57 -0.00 0.00 -1.36 0.00 0.00 55.97 56.15 2k49 s LYS 58 Cb -0.24 -3.98 0.01 0.00 -1.68 0.00 0.00 37.83 31.93 2k49 s LYS 58 CO 0.30 -1.56 0.01 -1.21 -0.76 0.00 0.00 175.35 172.14 2k49 s GLU 59 N 4.81 -0.00 -0.17 1.68 2.02 -1.07 -5.06 118.70 120.91 2k49 s GLU 59 Ca 0.51 0.05 -0.00 0.00 0.02 0.00 0.00 54.97 55.55 2k49 s GLU 59 Cb -0.09 -0.06 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2k49 s GLU 59 CO 0.30 -0.04 -0.15 0.08 0.02 0.00 0.00 175.26 175.47 2k49 s VAL 60 N 0.27 2.65 0.83 2.63 1.01 -1.26 -1.06 120.40 125.46 2k49 s VAL 60 Ca -0.02 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.08 2k49 s VAL 60 Cb -0.03 -2.13 0.10 0.00 0.00 0.00 0.00 36.38 34.32 2k49 s VAL 60 CO -0.01 0.51 1.14 0.00 0.00 0.00 0.00 175.10 176.74 2k49 s ALA 61 N 0.97 1.86 0.58 5.51 0.00 0.15 -4.86 121.76 125.98 2k49 s ALA 61 Ca -0.02 0.52 0.38 0.00 0.00 0.00 0.00 51.96 52.84 2k49 s ALA 61 Cb -0.15 -3.39 2.11 0.00 0.00 0.00 0.00 23.12 21.69 2k49 s ALA 61 CO -0.03 -2.25 2.29 -0.22 0.00 0.00 0.00 175.76 175.56 2k49 h LYS 62 N -1.33 0.00 -0.34 0.00 1.63 -2.00 0.15 116.57 114.68 2k49 h LYS 62 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 2k49 h LYS 62 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 2k49 h LYS 62 CO 0.46 0.01 0.00 0.09 -3.45 0.00 0.00 179.45 176.56 2k49 n ASN 63 N -3.34 0.34 -1.24 4.20 3.02 -1.26 -4.82 115.26 112.16 2k49 n ASN 63 Ca -0.03 -1.68 -0.16 0.00 -0.03 0.00 0.00 54.58 52.69 2k49 n ASN 63 Cb 0.11 -0.17 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k49 n ASP 64 N -0.27 -4.86 -4.49 6.41 8.00 0.04 -4.98 116.55 116.40 2k49 n ASP 64 Ca 0.00 0.35 -0.42 0.00 0.71 0.00 0.00 54.79 55.43 2k49 n ASP 64 Cb 0.08 -3.75 -0.10 0.00 -0.02 0.00 0.00 41.12 37.34 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 -3.44 3.15 0.19 -1.24 1.02 -1.21 -4.89 119.74 113.32 2k49 s LYS 65 Ca 0.00 -0.82 -0.30 0.00 0.02 0.00 0.00 55.97 54.87 2k49 s LYS 65 Cb 0.00 -3.93 -0.08 0.00 -0.52 0.00 0.00 37.83 33.30 2k49 s LYS 65 CO 0.00 -0.70 1.02 -1.25 -0.92 0.00 0.00 175.35 173.50 2k49 s PRO 66 N 1.84 4.70 0.25 -1.68 0.04 -1.21 -0.67 135.00 138.26 2k49 s PRO 66 Ca 0.08 1.59 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2k49 s PRO 66 Cb -0.18 -3.30 -0.00 0.00 0.04 0.00 0.00 34.50 31.06 2k49 s PRO 66 CO 0.11 0.24 0.30 2.48 0.04 0.00 0.00 177.00 180.18 2k49 n TYR 67 N 2.14 -0.98 -3.83 0.56 4.11 -0.22 -0.75 117.16 118.19 2k49 n TYR 67 Ca 0.01 -1.76 -0.12 0.00 -0.00 0.00 0.00 57.90 56.03 2k49 n TYR 67 Cb 0.47 0.34 -0.10 0.00 -0.00 0.00 0.00 39.34 40.04 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 -3.35 -0.09 0.25 -3.48 -0.71 -1.26 -2.60 117.98 106.73 2k49 s PHE 68 Ca 0.23 0.18 0.11 0.00 -1.04 0.00 0.00 56.93 56.41 2k49 s PHE 68 Cb -0.00 0.02 -0.05 0.00 -1.21 0.00 0.00 43.02 41.78 2k49 s PHE 68 CO 0.16 -0.24 -0.18 -0.80 -1.34 0.00 0.00 175.22 172.82 2k49 s ASN 69 N -0.85 3.23 -0.23 1.98 0.01 -0.82 -2.02 114.94 116.24 2k49 s ASN 69 Ca -0.09 -1.02 0.02 0.00 -0.71 0.00 0.00 52.86 51.06 2k49 s ASN 69 Cb -0.05 -0.24 0.05 0.00 0.41 0.00 0.00 41.25 41.42 2k49 s ASN 69 CO 0.02 -0.03 -0.11 -0.22 -1.51 0.00 0.00 177.10 175.25 2k49 s LEU 70 N -3.40 2.83 0.20 0.60 2.96 0.49 0.31 118.68 122.67 2k49 s LEU 70 Ca 0.27 -1.13 0.05 0.00 -0.22 0.00 0.00 54.13 53.09 2k49 s LEU 70 Cb -0.04 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.22 2k49 s LEU 70 CO 0.12 -0.16 0.25 -0.54 -1.32 0.00 0.00 176.35 174.70 2k49 s LYS 71 N 1.25 3.19 0.51 1.98 1.02 -1.04 -1.42 119.74 125.23 2k49 s LYS 71 Ca -0.05 -0.81 0.06 0.00 0.02 0.00 0.00 55.97 55.20 2k49 s LYS 71 Cb -0.18 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.38 2k49 s LYS 71 CO -0.07 0.46 0.40 0.00 -0.92 0.00 0.00 175.35 175.22 2k49 s ALA 72 N -1.89 4.30 0.32 5.17 0.00 -0.81 -4.87 121.76 123.98 2k49 s ALA 72 Ca 0.33 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.87 2k49 s ALA 72 Cb -0.10 -0.79 0.78 0.00 0.00 0.00 0.00 23.12 23.02 2k49 s ALA 72 CO 0.27 -0.40 1.78 0.00 0.00 0.00 0.00 175.76 177.40 2k49 h ALA 73 N 0.83 1.74 -0.10 0.00 0.00 -1.96 0.19 119.26 119.96 2k49 h ALA 73 Ca -0.38 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2k49 h ALA 73 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2k49 h ALA 73 CO 0.57 -0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.80 2k49 n ASN 74 N -4.75 1.31 -0.58 0.00 3.02 -1.26 -4.84 115.26 108.16 2k49 n ASN 74 Ca 0.23 -2.09 -0.08 0.00 -0.03 0.00 0.00 54.58 52.62 2k49 n ASN 74 Cb 0.60 -0.36 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 2k49 n ASN 74 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2k49 n HIS 75 N -0.00 0.00 -2.63 3.10 8.25 0.66 -4.98 115.22 119.62 2k49 n HIS 75 Ca 0.04 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 2k49 n HIS 75 Cb 0.29 -1.85 -0.05 0.00 1.12 0.00 0.00 29.99 29.49 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 -2.32 4.08 -0.65 -0.41 -2.07 -1.25 -4.81 119.66 112.23 2k49 s GLN 76 Ca 0.00 1.02 -0.23 0.00 -1.82 0.00 0.00 55.36 54.33 2k49 s GLN 76 Cb 0.00 -2.17 0.07 0.00 -1.09 0.00 0.00 33.01 29.82 2k49 s GLN 76 CO 0.00 -0.14 0.98 0.42 -1.32 0.00 0.00 175.29 175.23 2k49 s ILE 77 N -2.39 4.30 -1.21 3.63 -1.09 -1.26 -1.92 121.20 121.26 2k49 s ILE 77 Ca 0.60 -0.27 0.23 0.00 -2.23 0.00 0.00 60.65 58.99 2k49 s ILE 77 Cb -0.09 -4.68 -0.06 0.00 -1.58 0.00 0.00 42.46 36.04 2k49 s ILE 77 CO 0.22 -1.45 1.19 2.30 -1.23 0.00 0.00 174.94 175.97 2k49 n ILE 78 N 5.97 0.00 -3.64 2.92 -5.35 -0.53 -2.43 119.36 116.30 2k49 n ILE 78 Ca -0.03 -0.04 -0.12 0.00 -0.27 0.00 0.00 62.75 62.29 2k49 n ILE 78 Cb 0.46 0.68 -0.07 0.00 -1.74 0.00 0.00 39.64 38.97 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 -2.88 -0.55 -0.06 3.28 0.00 -0.51 -4.20 107.32 102.40 2k49 s GLY 79 Ca 0.12 2.08 -0.01 0.00 0.00 0.00 0.00 44.72 46.91 2k49 s GLY 79 CO 0.73 1.91 -0.01 -1.59 0.00 0.00 0.00 173.10 174.15 2k49 s THR 80 N 0.82 0.38 0.71 0.90 2.01 -0.17 -0.38 115.64 119.90 2k49 s THR 80 Ca -0.04 0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2k49 s THR 80 Cb -0.05 -0.51 0.13 0.00 0.01 0.00 0.00 72.50 72.07 2k49 s THR 80 CO -0.06 0.24 0.97 -0.55 -0.69 0.00 0.00 174.62 174.53 2k49 s SER 81 N 1.72 4.41 0.40 3.53 0.15 -0.86 -1.04 113.70 122.01 2k49 s SER 81 Ca 0.01 -0.46 -0.04 0.00 0.70 0.00 0.00 55.95 56.16 2k49 s SER 81 Cb -0.13 0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2k49 s SER 81 CO -0.04 -1.82 0.67 0.00 1.20 0.00 0.00 173.24 173.24 2k49 s GLN 82 N -5.09 3.56 -0.43 5.44 -2.07 -1.26 -4.79 119.66 115.03 2k49 s GLN 82 Ca 0.66 0.02 -0.29 0.00 -1.82 0.00 0.00 55.36 53.93 2k49 s GLN 82 Cb -0.05 -2.52 0.02 0.00 -1.09 0.00 0.00 33.01 29.37 2k49 s GLN 82 CO 0.44 0.00 1.17 0.00 -1.32 0.00 0.00 175.29 175.57 2k49 s MET 83 N -4.31 3.79 0.45 9.60 0.23 -1.26 -4.58 119.30 123.22 2k49 s MET 83 Ca 0.45 0.75 -0.05 0.00 -1.03 0.00 0.00 55.69 55.81 2k49 s MET 83 Cb -0.10 -3.88 0.10 0.00 -1.53 0.00 0.00 34.83 29.41 2k49 s MET 83 CO 0.38 -1.29 0.61 0.66 -2.03 0.00 0.00 175.02 173.35 2k49 n TYR 84 N 7.74 -3.66 -0.02 3.16 4.01 0.07 -4.88 117.16 123.58 2k49 n TYR 84 Ca 0.13 -0.72 -0.03 0.00 -0.16 0.00 0.00 57.90 57.11 2k49 n TYR 84 Cb 0.48 -0.46 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 2k49 n TYR 84 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 2k49 n SER 85 N -3.24 1.00 -4.85 7.72 7.64 -1.26 -3.36 113.62 117.27 2k49 n SER 85 Ca 0.08 0.03 -0.37 0.00 1.01 0.00 0.00 58.87 59.62 2k49 n SER 85 Cb 0.30 -0.09 -0.06 0.00 -1.01 0.00 0.00 64.21 63.35 2k49 n SER 85 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k49 s SER 86 N -5.08 6.71 0.16 6.43 0.01 -1.26 -4.78 113.70 115.89 2k49 s SER 86 Ca -0.05 0.85 -0.09 0.00 1.31 0.00 0.00 55.95 57.97 2k49 s SER 86 Cb 0.02 -2.21 0.01 0.00 0.21 0.00 0.00 66.02 64.05 2k49 s SER 86 CO 0.06 0.32 1.51 0.71 0.41 0.00 0.00 173.24 176.26 2k49 h THR 87 N 3.65 1.27 -0.42 1.44 1.35 -1.96 -3.20 112.91 115.04 2k49 h THR 87 Ca -0.52 -1.52 0.06 0.00 -0.55 0.00 0.00 66.41 63.88 2k49 h THR 87 Cb 1.22 1.35 -0.05 0.00 -1.73 0.00 0.00 68.15 68.93 2k49 h THR 87 CO 0.61 0.51 0.09 0.00 -0.25 0.00 0.00 175.52 176.49 2k49 h ALA 88 N 0.85 0.46 -0.92 6.62 0.00 -1.99 0.82 119.26 125.11 2k49 h ALA 88 Ca 0.07 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2k49 h ALA 88 Cb 0.93 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.76 2k49 h ALA 88 CO 0.09 -0.31 0.60 0.00 0.00 0.00 0.00 179.25 179.63 2k49 h ALA 89 N 1.31 1.44 -0.14 0.00 0.00 -1.99 0.17 119.26 120.05 2k49 h ALA 89 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k49 h ALA 89 Cb 0.24 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k49 h ALA 89 CO -0.25 0.46 0.06 -0.09 0.00 0.00 0.00 179.25 179.43 2k49 h ARG 90 N 1.12 0.21 -0.60 0.00 1.12 -1.10 -0.70 114.38 114.44 2k49 h ARG 90 Ca 0.37 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 59.15 2k49 h ARG 90 Cb 0.06 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 29.96 2k49 h ARG 90 CO -0.12 0.28 0.14 -0.44 -3.11 0.00 0.00 179.97 176.72 2k49 h ASP 91 N 0.08 0.91 -0.47 -3.80 5.19 -0.52 -1.70 116.42 116.12 2k49 h ASP 91 Ca 0.05 -0.24 0.04 0.00 -0.62 0.00 0.00 57.03 56.26 2k49 h ASP 91 Cb 0.15 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.39 2k49 h ASP 91 CO -0.00 0.92 0.31 0.78 -3.12 0.00 0.00 179.24 178.12 2k49 h ASN 92 N 0.87 0.43 0.33 6.45 2.35 -0.57 0.12 115.58 125.57 2k49 h ASN 92 Ca 0.19 -0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 2k49 h ASN 92 Cb 0.36 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.64 2k49 h ASN 92 CO 0.00 0.30 -0.16 1.23 -1.65 0.00 0.00 177.43 177.15 2k49 h GLY 93 N 0.50 -0.47 0.48 2.83 0.00 -0.52 -1.43 103.07 104.47 2k49 h GLY 93 Ca 0.19 0.17 0.08 0.00 0.00 0.00 0.00 47.33 47.78 2k49 h GLY 93 CO -0.05 -0.17 0.24 -2.22 0.00 0.00 0.00 176.54 174.34 2k49 h ILE 94 N -0.50 0.82 -0.47 2.60 2.04 -0.45 -0.55 117.51 121.00 2k49 h ILE 94 Ca -0.05 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.74 2k49 h ILE 94 Cb 0.38 0.35 -0.06 0.00 -0.74 0.00 0.00 36.82 36.75 2k49 h ILE 94 CO 0.08 0.08 0.12 0.11 0.00 0.00 0.00 178.15 178.54 2k49 h LYS 95 N 0.43 0.26 -0.22 2.37 1.57 -0.76 0.79 116.57 121.02 2k49 h LYS 95 Ca 0.28 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2k49 h LYS 95 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2k49 h LYS 95 CO -0.26 0.17 0.15 0.77 -0.57 0.00 0.00 179.45 179.70 2k49 h SER 96 N 0.27 0.20 0.21 0.86 0.02 -0.11 -2.46 113.55 112.54 2k49 h SER 96 Ca 0.23 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.17 2k49 h SER 96 Cb 0.28 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.78 2k49 h SER 96 CO -0.28 0.15 -0.10 0.58 -1.14 0.00 0.00 176.83 176.04 2k49 h VAL 97 N 0.24 0.64 -0.73 2.27 2.07 0.43 -1.66 116.25 119.51 2k49 h VAL 97 Ca 0.09 -1.02 0.12 0.00 0.82 0.00 0.00 66.70 66.70 2k49 h VAL 97 Cb 0.05 1.08 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 2k49 h VAL 97 CO -0.02 0.17 0.48 0.00 0.02 0.00 0.00 177.57 178.22 2k49 h MET 98 N -0.93 0.52 0.16 1.57 -0.00 -0.80 1.52 114.93 116.98 2k49 h MET 98 Ca -0.03 -0.03 -0.32 0.00 -0.00 0.00 0.00 59.70 59.32 2k49 h MET 98 Cb 0.49 -0.12 0.00 0.00 -0.00 0.00 0.00 31.60 31.97 2k49 h MET 98 CO 0.05 0.35 -1.57 1.49 -0.00 0.00 0.00 176.91 177.22 2k49 h GLU 99 N 0.54 0.33 -0.01 -0.10 4.22 -1.54 -3.37 114.58 114.65 2k49 h GLU 99 Ca 0.35 -0.57 0.00 0.00 0.08 0.00 0.00 59.36 59.22 2k49 h GLU 99 Cb 0.61 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k49 h GLU 99 CO -0.12 1.22 -0.42 0.09 -2.18 0.00 0.00 179.01 177.60 2k49 n ASN 100 N -3.53 1.86 -1.32 1.04 3.02 -0.62 -2.25 115.26 113.46 2k49 n ASN 100 Ca -0.18 -1.41 0.07 0.00 -0.03 0.00 0.00 54.58 53.02 2k49 n ASN 100 Cb 1.06 0.40 0.28 0.00 -0.61 0.00 0.00 39.78 40.91 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 1.40 2.17 1.11 7.41 0.00 0.52 -3.90 105.19 113.89 2k49 n GLY 101 Ca 0.10 -0.64 0.04 0.00 0.00 0.00 0.00 46.02 45.52 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 0.73 0.90 -3.96 1.61 2.85 -1.26 -2.37 118.16 116.66 2k49 n LYS 102 Ca 0.20 -2.72 -0.21 0.00 -1.05 0.00 0.00 58.31 54.52 2k49 n LYS 102 Cb 0.75 -0.88 -0.03 0.00 -0.65 0.00 0.00 35.03 34.22 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 -1.77 4.75 -2.43 0.58 -1.32 -1.25 -5.02 115.64 109.19 2k49 s THR 103 Ca 0.36 -1.15 0.21 0.00 -1.21 0.00 0.00 61.69 59.90 2k49 s THR 103 Cb 0.38 -3.62 0.26 0.00 -1.51 0.00 0.00 72.50 68.02 2k49 s THR 103 CO -0.11 -0.31 1.24 0.35 -2.21 0.00 0.00 174.62 173.58 2k49 n THR 104 N -1.35 0.23 -2.34 5.08 -2.24 -1.26 -4.92 114.28 107.48 2k49 n THR 104 Ca -0.07 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.68 2k49 n THR 104 Cb 0.58 1.22 -0.03 0.00 -2.10 0.00 0.00 70.33 70.00 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 -1.58 3.72 -0.09 4.28 2.01 -1.26 -4.99 115.64 117.72 2k49 s THR 105 Ca 0.29 0.59 0.04 0.00 0.31 0.00 0.00 61.69 62.92 2k49 s THR 105 Cb 0.19 -4.37 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 2k49 s THR 105 CO 0.27 -1.15 -0.24 -0.63 -0.69 0.00 0.00 174.62 172.19 2k49 s ILE 106 N 6.43 2.11 -0.44 1.82 1.01 -1.26 -1.87 121.20 129.00 2k49 s ILE 106 Ca 0.54 -1.02 -0.13 0.00 0.00 0.00 0.00 60.65 60.05 2k49 s ILE 106 Cb -0.11 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.63 2k49 s ILE 106 CO 0.24 0.56 0.33 -0.54 0.00 0.00 0.00 174.94 175.53 2k49 s LYS 107 N 0.19 2.85 -0.36 2.79 1.02 0.72 -4.97 119.74 121.97 2k49 s LYS 107 Ca -0.14 -1.33 -0.25 0.00 0.02 0.00 0.00 55.97 54.27 2k49 s LYS 107 Cb -0.17 -3.98 0.01 0.00 -0.52 0.00 0.00 37.83 33.18 2k49 s LYS 107 CO 0.07 -0.95 0.86 0.34 -0.92 0.00 0.00 175.35 174.75 2k49 s ASP 108 N 2.28 6.63 -0.09 2.83 -1.08 -1.26 -0.55 116.67 125.44 2k49 s ASP 108 Ca 0.04 0.51 0.14 0.00 -0.52 0.00 0.00 52.55 52.72 2k49 s ASP 108 Cb -0.23 -2.43 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 2k49 s ASP 108 CO 0.06 -0.79 1.39 0.18 0.52 0.00 0.00 175.17 176.52 2k49 n LEU 109 N 6.59 3.63 -0.01 -1.34 4.77 0.81 -4.49 117.00 126.96 2k49 n LEU 109 Ca 0.05 -2.47 0.10 0.00 -0.03 0.00 0.00 56.01 53.66 2k49 n LEU 109 Cb 0.48 -0.41 -0.14 0.00 -2.33 0.00 0.00 43.42 41.02 2k49 n LEU 109 CO 0.56 0.72 -0.42 0.35 -1.33 0.00 0.00 177.39 177.27 2k49 n THR 110 N 0.23 0.00 0.41 -5.08 -2.24 -1.24 -4.21 114.28 102.14 2k49 n THR 110 Ca 0.18 -0.27 0.08 0.00 -2.27 0.00 0.00 64.05 61.78 2k49 n THR 110 Cb 0.69 0.48 0.36 0.00 -2.10 0.00 0.00 70.33 69.76 2k49 n THR 110 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2k49 n LEU 111 N -1.88 0.26 -4.79 3.22 4.77 -1.26 -4.76 117.00 112.55 2k49 n LEU 111 Ca -0.00 0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 56.19 2k49 n LEU 111 Cb 0.44 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.92 2k49 n LEU 111 CO 0.43 -0.41 0.63 -1.61 -1.33 0.00 0.00 177.39 175.10 2k49 s GLU 112 N -3.14 4.48 -0.18 3.23 0.41 -1.26 -5.06 118.70 117.19 2k49 s GLU 112 Ca 0.05 1.25 -0.06 0.00 -0.41 0.00 0.00 54.97 55.80 2k49 s GLU 112 Cb 0.08 -2.67 -0.03 0.00 -1.78 0.00 0.00 34.13 29.73 2k49 s GLU 112 CO 0.28 0.22 0.02 -3.38 -0.49 0.00 0.00 175.26 171.91 2k49 s HIS 113 N -1.73 3.13 -0.14 1.61 -3.43 -1.26 -4.86 115.29 108.61 2k49 s HIS 113 Ca 0.52 -0.15 -0.10 0.00 -0.80 0.00 0.00 55.06 54.54 2k49 s HIS 113 Cb -0.16 -2.04 0.04 0.00 -1.43 0.00 0.00 32.58 28.99 2k49 s HIS 113 CO 0.21 0.02 0.20 1.58 -2.00 0.00 0.00 174.74 174.75 2k49 n HIS 114 N 3.66 -4.43 -3.15 0.38 -0.00 -1.26 -5.08 115.22 105.34 2k49 n HIS 114 Ca -0.17 2.59 0.04 0.00 -0.00 0.00 0.00 57.72 60.19 2k49 n HIS 114 Cb 0.52 -3.84 -0.00 0.00 -0.00 0.00 0.00 29.99 26.67 2k49 n HIS 114 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2k49 s HIS 115 N -0.63 -1.43 -0.43 1.57 -0.00 -1.26 -5.11 115.29 108.00 2k49 s HIS 115 Ca -0.23 1.02 -0.27 0.00 -0.00 0.00 0.00 55.06 55.59 2k49 s HIS 115 Cb 0.02 0.32 -0.07 0.00 -0.00 0.00 0.00 32.58 32.84 2k49 s HIS 115 CO 0.61 -0.82 2.38 -2.39 -0.00 0.00 0.00 174.74 174.52 2k49 n HIS 116 N 5.37 1.54 -3.58 0.38 1.44 -1.26 -4.91 115.22 114.19 2k49 n HIS 116 Ca 0.03 0.07 -0.19 0.00 -2.01 0.00 0.00 57.72 55.62 2k49 n HIS 116 Cb 0.54 -2.65 -0.15 0.00 0.12 0.00 0.00 29.99 27.85 2k49 n HIS 116 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2k49 s HIS 117 N 11.22 -0.14 -2.00 -1.40 5.04 -1.26 -5.08 115.29 121.67 2k49 s HIS 117 Ca 1.00 0.25 0.11 0.00 -1.54 0.00 0.00 55.06 54.88 2k49 s HIS 117 Cb -0.24 -0.39 0.67 0.00 0.04 0.00 0.00 32.58 32.65 2k49 s HIS 117 CO 0.29 -0.46 1.11 0.72 -2.34 0.00 0.00 174.74 174.06