#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 -0.23 0.64 7.83 0.15 -1.26 -4.99 113.70 115.84 2k49 s SER 2 Ca 0.00 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.41 2k49 s SER 2 Cb 0.00 0.45 0.08 0.00 -1.71 0.00 0.00 66.02 64.83 2k49 s SER 2 CO 0.00 -0.77 0.52 0.61 1.20 0.00 0.00 173.24 174.79 2k49 n GLY 3 N 0.06 0.34 3.65 9.45 0.00 -1.26 -4.07 105.19 113.36 2k49 n GLY 3 Ca -0.17 -1.94 -0.08 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.58 -0.31 -0.16 1.61 -2.14 -1.25 -4.68 118.94 110.43 2k49 s TRP 4 Ca 0.33 0.00 -0.05 0.00 2.66 0.00 0.00 56.10 59.04 2k49 s TRP 4 Cb -0.02 0.63 -0.03 0.00 -3.10 0.00 0.00 33.47 30.95 2k49 s TRP 4 CO 0.22 -0.95 0.02 0.71 -2.66 0.00 0.00 176.95 174.29 2k49 s TYR 5 N -3.65 3.16 -0.33 1.66 1.51 -0.68 -1.33 117.35 117.69 2k49 s TYR 5 Ca 0.07 -0.05 -0.05 0.00 -1.01 0.00 0.00 57.07 56.03 2k49 s TYR 5 Cb -0.03 -2.00 0.05 0.00 -0.11 0.00 0.00 41.96 39.87 2k49 s TYR 5 CO -0.02 0.12 0.09 -1.21 -1.11 0.00 0.00 175.55 173.41 2k49 s GLU 6 N 0.21 2.55 -0.18 -0.62 2.02 -0.21 0.10 118.70 122.57 2k49 s GLU 6 Ca 0.01 -1.23 -0.14 0.00 0.02 0.00 0.00 54.97 53.64 2k49 s GLU 6 Cb -0.13 -3.40 -0.05 0.00 0.10 0.00 0.00 34.13 30.65 2k49 s GLU 6 CO 0.01 -0.67 0.29 -1.17 0.02 0.00 0.00 175.26 173.74 2k49 s LEU 7 N 1.36 4.21 0.08 1.80 2.96 -0.56 -1.72 118.68 126.79 2k49 s LEU 7 Ca -0.02 0.45 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 2k49 s LEU 7 Cb -0.20 -2.36 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 2k49 s LEU 7 CO 0.02 0.06 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.58 2k49 s SER 8 N 0.66 1.15 -0.26 3.68 0.01 -0.66 -0.31 113.70 117.96 2k49 s SER 8 Ca 0.16 -0.78 -0.11 0.00 1.31 0.00 0.00 55.95 56.53 2k49 s SER 8 Cb -0.13 0.05 -0.05 0.00 0.21 0.00 0.00 66.02 66.09 2k49 s SER 8 CO 0.04 -0.31 0.18 -0.75 0.41 0.00 0.00 173.24 172.82 2k49 s LYS 9 N -2.70 4.00 0.91 12.44 2.20 -1.26 -2.23 119.74 133.10 2k49 s LYS 9 Ca 0.02 -0.30 -0.12 0.00 -0.36 0.00 0.00 55.97 55.21 2k49 s LYS 9 Cb -0.03 -3.61 0.14 0.00 -1.51 0.00 0.00 37.83 32.82 2k49 s LYS 9 CO -0.01 -0.08 1.10 -1.12 -0.36 0.00 0.00 175.35 174.88 2k49 s SER 10 N 1.47 3.42 0.66 1.43 0.01 0.39 -4.90 113.70 116.19 2k49 s SER 10 Ca 0.07 1.27 0.42 0.00 1.31 0.00 0.00 55.95 59.01 2k49 s SER 10 Cb -0.15 -1.93 2.26 0.00 0.21 0.00 0.00 66.02 66.41 2k49 s SER 10 CO 0.08 -2.64 2.27 0.28 0.41 0.00 0.00 173.24 173.65 2k49 h SER 11 N -1.55 0.00 -0.73 2.44 0.02 -1.99 -0.33 113.55 111.41 2k49 h SER 11 Ca -0.51 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.25 2k49 h SER 11 Cb 1.30 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.73 2k49 h SER 11 CO 0.58 0.00 0.24 -0.46 -1.14 0.00 0.00 176.83 176.05 2k49 n ASN 12 N -3.02 4.96 0.00 3.07 6.94 -1.26 -4.91 115.26 121.04 2k49 n ASN 12 Ca -0.03 -3.20 0.00 0.00 -0.02 0.00 0.00 54.58 51.33 2k49 n ASN 12 Cb 0.12 -0.74 0.00 0.00 -2.36 0.00 0.00 39.78 36.80 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2k49 n ASP 13 N -0.07 -2.03 -4.74 0.53 8.00 -0.13 -4.98 116.55 113.12 2k49 n ASP 13 Ca 0.40 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.49 2k49 n ASP 13 Cb 1.38 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.78 4.78 -0.11 -1.24 -0.21 -1.25 -4.80 119.66 116.05 2k49 s GLN 14 Ca 0.00 1.47 -0.05 0.00 0.02 0.00 0.00 55.36 56.79 2k49 s GLN 14 Cb 0.00 -3.32 -0.04 0.00 1.00 0.00 0.00 33.01 30.65 2k49 s GLN 14 CO 0.00 0.38 0.10 -0.06 -2.12 0.00 0.00 175.29 173.59 2k49 s PHE 15 N -0.64 3.46 -0.00 0.91 0.40 0.01 -0.46 117.98 121.65 2k49 s PHE 15 Ca 0.44 0.42 -0.07 0.00 -0.60 0.00 0.00 56.93 57.12 2k49 s PHE 15 Cb -0.25 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.39 2k49 s PHE 15 CO 0.31 0.65 0.13 -1.59 0.70 0.00 0.00 175.22 175.42 2k49 s LYS 16 N -0.97 0.44 0.12 0.44 0.00 -0.95 -0.33 119.74 118.50 2k49 s LYS 16 Ca 0.14 -0.34 0.08 0.00 0.00 0.00 0.00 55.97 55.86 2k49 s LYS 16 Cb -0.12 0.18 -0.04 0.00 0.00 0.00 0.00 37.83 37.86 2k49 s LYS 16 CO 0.03 -0.10 -0.20 -0.59 0.00 0.00 0.00 175.35 174.49 2k49 s PHE 17 N -1.22 1.79 -0.02 1.78 -0.71 -1.26 -1.66 117.98 116.68 2k49 s PHE 17 Ca -0.13 -0.44 0.07 0.00 -1.04 0.00 0.00 56.93 55.40 2k49 s PHE 17 Cb -0.07 -0.95 -0.02 0.00 -1.21 0.00 0.00 43.02 40.77 2k49 s PHE 17 CO 0.01 0.25 -0.25 0.14 -1.34 0.00 0.00 175.22 174.03 2k49 s VAL 18 N -1.48 1.96 -0.22 -2.49 -7.23 -0.70 -2.19 120.40 108.06 2k49 s VAL 18 Ca 0.10 -1.06 -0.07 0.00 -1.81 0.00 0.00 61.98 59.14 2k49 s VAL 18 Cb -0.08 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.19 2k49 s VAL 18 CO 0.05 0.55 0.06 -0.22 -0.31 0.00 0.00 175.10 175.24 2k49 s LEU 19 N -0.52 3.56 0.22 1.32 2.96 0.56 -1.05 118.68 125.73 2k49 s LEU 19 Ca 0.08 -0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.72 2k49 s LEU 19 Cb -0.10 -1.93 -0.08 0.00 0.50 0.00 0.00 46.19 44.58 2k49 s LEU 19 CO -0.00 0.05 0.67 -0.54 -1.32 0.00 0.00 176.35 175.21 2k49 s LYS 20 N 1.09 4.11 -0.12 1.98 3.01 -0.44 -0.46 119.74 128.90 2k49 s LYS 20 Ca 0.04 0.70 0.02 0.00 -1.01 0.00 0.00 55.97 55.71 2k49 s LYS 20 Cb -0.14 -2.81 0.21 0.00 -1.01 0.00 0.00 37.83 34.08 2k49 s LYS 20 CO 0.03 0.37 1.18 0.00 0.51 0.00 0.00 175.35 177.45 2k49 n ALA 21 N 0.51 3.31 0.00 5.17 0.00 0.34 -3.80 120.51 126.04 2k49 n ALA 21 Ca -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.62 2k49 n ALA 21 Cb 0.52 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 0.05 1.89 0.00 0.00 0.00 -1.26 -4.68 105.19 101.19 2k49 n GLY 22 Ca 0.16 -0.27 0.11 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 2.34 0.00 0.00 1.61 6.94 -1.26 -4.62 115.26 120.28 2k49 n ASN 23 Ca 0.00 0.47 0.00 0.00 -0.02 0.00 0.00 54.58 55.03 2k49 n ASN 23 Cb 0.00 -0.49 0.00 0.00 -2.36 0.00 0.00 39.78 36.93 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 0.75 2.30 3.81 4.83 0.00 -1.26 -5.10 105.19 110.52 2k49 n GLY 24 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.28 4.27 -0.34 1.61 2.56 -1.26 -4.80 118.70 120.46 2k49 s GLU 25 Ca 0.00 1.21 -0.23 0.00 0.00 0.00 0.00 54.97 55.95 2k49 s GLU 25 Cb 0.00 -2.33 0.00 0.00 2.00 0.00 0.00 34.13 33.80 2k49 s GLU 25 CO 0.00 0.00 0.75 0.08 -0.56 0.00 0.00 175.26 175.53 2k49 s VAL 26 N -2.01 4.80 -0.20 3.70 1.01 -1.26 -0.51 120.40 125.93 2k49 s VAL 26 Ca 0.60 0.93 -0.20 0.00 0.00 0.00 0.00 61.98 63.30 2k49 s VAL 26 Cb -0.12 -4.15 -0.20 0.00 0.00 0.00 0.00 36.38 31.91 2k49 s VAL 26 CO 0.17 -0.33 0.26 0.16 0.00 0.00 0.00 175.10 175.36 2k49 h ILE 27 N 5.67 0.92 -3.26 2.22 3.07 -1.09 -3.43 117.51 121.61 2k49 h ILE 27 Ca -0.25 -2.20 -0.60 0.00 1.55 0.00 0.00 64.86 63.35 2k49 h ILE 27 Cb 1.10 2.30 -0.34 0.00 -0.27 0.00 0.00 36.82 39.60 2k49 h ILE 27 CO 0.88 0.38 -0.84 -0.76 -1.05 0.00 0.00 178.15 176.76 2k49 s LEU 28 N -7.80 1.80 -0.12 0.16 2.01 -1.22 -3.82 118.68 109.68 2k49 s LEU 28 Ca -0.28 -0.46 0.03 0.00 0.01 0.00 0.00 54.13 53.44 2k49 s LEU 28 Cb 0.06 -1.15 0.01 0.00 0.01 0.00 0.00 46.19 45.11 2k49 s LEU 28 CO 0.61 0.03 -0.22 -0.89 1.01 0.00 0.00 176.35 176.90 2k49 s THR 29 N 0.93 1.98 0.84 5.49 2.01 0.42 -0.32 115.64 126.99 2k49 s THR 29 Ca -0.07 -0.95 -0.09 0.00 0.31 0.00 0.00 61.69 60.89 2k49 s THR 29 Cb -0.15 -1.74 0.16 0.00 0.01 0.00 0.00 72.50 70.79 2k49 s THR 29 CO -0.01 0.54 1.16 -0.55 -0.69 0.00 0.00 174.62 175.07 2k49 s SER 30 N 0.59 3.74 0.76 3.53 0.15 -0.93 0.04 113.70 121.59 2k49 s SER 30 Ca -0.13 -0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.45 2k49 s SER 30 Cb -0.17 -0.20 0.13 0.00 -1.71 0.00 0.00 66.02 64.07 2k49 s SER 30 CO 0.04 -2.30 1.06 -1.83 1.20 0.00 0.00 173.24 171.41 2k49 s GLU 31 N -5.53 1.58 -0.31 5.44 -1.05 -1.26 -4.63 118.70 112.93 2k49 s GLU 31 Ca 0.70 -0.77 -0.29 0.00 -0.15 0.00 0.00 54.97 54.46 2k49 s GLU 31 Cb -0.05 -2.20 0.00 0.00 -0.44 0.00 0.00 34.13 31.45 2k49 s GLU 31 CO 0.49 -1.60 1.33 -0.51 0.95 0.00 0.00 175.26 175.93 2k49 s LEU 32 N -5.32 3.83 0.32 1.83 1.43 -1.26 -4.51 118.68 115.01 2k49 s LEU 32 Ca 0.66 1.16 -0.05 0.00 -1.03 0.00 0.00 54.13 54.88 2k49 s LEU 32 Cb -0.06 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.57 2k49 s LEU 32 CO 0.46 -1.14 0.59 -0.31 0.23 0.00 0.00 176.35 176.18 2k49 s TYR 33 N 4.58 3.48 -0.05 0.29 1.51 0.55 -4.85 117.35 122.86 2k49 s TYR 33 Ca 0.58 0.68 0.13 0.00 -1.01 0.00 0.00 57.07 57.45 2k49 s TYR 33 Cb -0.17 -2.14 -0.13 0.00 -0.11 0.00 0.00 41.96 39.41 2k49 s TYR 33 CO 0.25 0.11 1.03 1.79 -1.11 0.00 0.00 175.55 177.62 2k49 h THR 34 N 1.23 0.96 -4.48 -0.71 1.35 -1.89 0.07 112.91 109.43 2k49 h THR 34 Ca -0.48 -2.57 -0.64 0.00 -0.55 0.00 0.00 66.41 62.18 2k49 h THR 34 Cb 1.19 2.41 -0.30 0.00 -1.73 0.00 0.00 68.15 69.73 2k49 h THR 34 CO 0.65 0.55 -0.87 -0.83 -0.25 0.00 0.00 175.52 174.77 2k49 s GLY 35 N -4.78 1.10 0.26 5.82 0.00 -1.26 -4.80 107.32 103.66 2k49 s GLY 35 Ca -0.01 -0.97 -0.05 0.00 0.00 0.00 0.00 44.72 43.69 2k49 s GLY 35 CO 0.80 -0.80 1.92 1.70 0.00 0.00 0.00 173.10 176.72 2k49 h LYS 36 N 5.59 1.25 -1.00 2.90 3.64 -1.91 -1.52 116.57 125.52 2k49 h LYS 36 Ca -0.40 -0.09 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 2k49 h LYS 36 Cb 1.13 -0.27 -0.06 0.00 -0.41 0.00 0.00 32.23 32.62 2k49 h LYS 36 CO 0.48 0.85 0.65 1.03 -2.27 0.00 0.00 179.45 180.19 2k49 h SER 37 N 1.28 1.08 -0.48 4.20 0.87 -1.99 -1.66 113.55 116.85 2k49 h SER 37 Ca 0.34 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.83 2k49 h SER 37 Cb -0.10 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.60 2k49 h SER 37 CO -0.07 0.72 0.03 1.23 -0.53 0.00 0.00 176.83 178.21 2k49 h GLY 38 N 1.24 0.90 0.69 5.77 0.00 -1.73 -0.04 103.07 109.90 2k49 h GLY 38 Ca 0.41 -0.64 0.03 0.00 0.00 0.00 0.00 47.33 47.13 2k49 h GLY 38 CO -0.14 0.59 0.01 0.00 0.00 0.00 0.00 176.54 177.00 2k49 h ALA 39 N 0.94 0.19 -0.57 3.60 0.00 -0.92 0.22 119.26 122.72 2k49 h ALA 39 Ca 0.14 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2k49 h ALA 39 Cb 0.47 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k49 h ALA 39 CO 0.02 -0.42 0.12 0.52 0.00 0.00 0.00 179.25 179.49 2k49 h MET 40 N 0.08 0.90 -0.94 0.00 2.86 -1.23 -1.23 114.93 115.36 2k49 h MET 40 Ca 0.10 -0.20 0.10 0.00 -2.06 0.00 0.00 59.70 57.64 2k49 h MET 40 Cb 0.12 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.59 2k49 h MET 40 CO -0.16 0.82 0.61 -0.97 1.06 0.00 0.00 176.91 178.26 2k49 h ASN 41 N 0.86 0.88 -0.92 1.22 -0.73 -0.45 0.15 115.58 116.59 2k49 h ASN 41 Ca 0.18 0.03 0.01 0.00 1.87 0.00 0.00 56.30 58.39 2k49 h ASN 41 Cb 0.34 -0.16 -0.05 0.00 0.27 0.00 0.00 38.32 38.73 2k49 h ASN 41 CO 0.00 0.51 0.61 1.23 -0.37 0.00 0.00 177.43 179.42 2k49 h GLY 42 N 0.97 1.30 0.97 1.57 0.00 0.18 -0.78 103.07 107.28 2k49 h GLY 42 Ca 0.44 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2k49 h GLY 42 CO -0.20 0.48 0.19 -2.22 0.00 0.00 0.00 176.54 174.80 2k49 h ILE 43 N 1.26 1.21 -0.88 2.60 2.04 0.02 0.18 117.51 123.93 2k49 h ILE 43 Ca 0.34 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 2k49 h ILE 43 Cb -0.14 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 2k49 h ILE 43 CO -0.07 0.25 0.53 -0.33 0.00 0.00 0.00 178.15 178.53 2k49 h GLU 44 N 0.66 1.20 -0.65 2.37 5.08 -0.79 0.10 114.58 122.55 2k49 h GLU 44 Ca 0.16 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2k49 h GLU 44 Cb 0.20 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 2k49 h GLU 44 CO -0.01 0.83 0.29 0.77 -1.00 0.00 0.00 179.01 179.89 2k49 h SER 45 N 1.22 0.84 -0.65 1.42 0.02 -0.65 -1.72 113.55 114.03 2k49 h SER 45 Ca 0.32 -0.10 -0.03 0.00 -0.84 0.00 0.00 61.79 61.14 2k49 h SER 45 Cb -0.05 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.24 2k49 h SER 45 CO -0.06 0.73 0.28 0.58 -1.14 0.00 0.00 176.83 177.22 2k49 h VAL 46 N 0.92 1.23 -0.55 2.27 2.07 0.01 -0.57 116.25 121.63 2k49 h VAL 46 Ca 0.22 -0.70 0.05 0.00 0.82 0.00 0.00 66.70 67.09 2k49 h VAL 46 Cb 0.13 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2k49 h VAL 46 CO -0.02 0.28 0.37 1.56 0.02 0.00 0.00 177.57 179.77 2k49 h GLN 47 N 0.91 0.55 0.01 1.57 1.08 -0.35 0.30 115.11 119.17 2k49 h GLN 47 Ca 0.22 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.29 2k49 h GLN 47 Cb 0.17 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.49 2k49 h GLN 47 CO -0.02 0.36 -0.38 1.15 -0.95 0.00 0.00 178.83 178.98 2k49 h THR 48 N 0.56 1.52 0.00 -0.54 2.02 -0.95 -3.38 112.91 112.14 2k49 h THR 48 Ca 0.23 -2.04 -0.19 0.00 0.77 0.00 0.00 66.41 65.18 2k49 h THR 48 Cb 0.21 2.76 -0.03 0.00 -1.74 0.00 0.00 68.15 69.35 2k49 h THR 48 CO -0.06 0.57 -0.97 0.78 0.37 0.00 0.00 175.52 176.20 2k49 h ASN 49 N -0.39 0.00 -0.62 4.18 2.35 -0.85 -3.37 115.58 116.87 2k49 h ASN 49 Ca -0.05 0.00 0.13 0.00 -0.55 0.00 0.00 56.30 55.83 2k49 h ASN 49 Cb 1.14 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 39.39 2k49 h ASN 49 CO 0.08 0.86 -0.12 -1.28 -1.65 0.00 0.00 177.43 175.31 2k49 h SER 50 N 0.00 -0.52 -0.03 5.81 0.87 -0.57 0.14 113.55 119.25 2k49 h SER 50 Ca -0.04 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2k49 h SER 50 Cb 1.69 0.36 0.00 0.00 -0.44 0.00 0.00 62.40 64.02 2k49 h SER 50 CO 0.10 -0.19 0.00 -0.81 -0.53 0.00 0.00 176.83 175.40 2k49 n PRO 51 N -5.40 1.09 -4.00 2.24 -0.04 -1.26 -4.53 135.00 123.10 2k49 n PRO 51 Ca 0.08 -0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.10 2k49 n PRO 51 Cb 0.34 -1.18 -0.15 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.96 2.12 0.48 0.52 1.01 0.50 -4.97 121.20 118.89 2k49 s ILE 52 Ca 0.17 -2.11 0.29 0.00 0.00 0.00 0.00 60.65 59.01 2k49 s ILE 52 Cb 0.08 -2.50 0.33 0.00 0.01 0.00 0.00 42.46 40.37 2k49 s ILE 52 CO 0.13 -0.49 2.15 -0.08 0.00 0.00 0.00 174.94 176.65 2k49 h GLU 53 N 7.69 0.00 0.00 2.79 4.81 -1.83 -2.48 114.58 125.56 2k49 h GLU 53 Ca -0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 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 0.50 0.07 0.02 0.00 -0.73 0.00 0.00 179.01 178.87 2k49 n ALA 54 N -2.28 0.97 -0.99 2.92 0.00 -1.26 -0.40 120.51 119.47 2k49 n ALA 54 Ca -0.02 0.02 0.04 0.00 0.00 0.00 0.00 53.44 53.47 2k49 n ALA 54 Cb 0.18 -0.99 0.33 0.00 0.00 0.00 0.00 19.45 18.97 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 -1.54 3.94 -1.52 0.00 5.12 -0.93 -5.03 116.66 116.69 2k49 n ARG 55 Ca -0.00 -3.07 -0.32 0.00 -1.93 0.00 0.00 57.85 52.53 2k49 n ARG 55 Cb 0.02 -2.12 0.07 0.00 -1.16 0.00 0.00 32.46 29.27 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 -2.87 2.62 -0.30 -1.55 1.13 0.46 -3.51 117.35 113.33 2k49 s TYR 56 Ca 0.51 1.55 -0.02 0.00 -1.41 0.00 0.00 57.07 57.70 2k49 s TYR 56 Cb 0.40 -3.10 0.12 0.00 -1.10 0.00 0.00 41.96 38.28 2k49 s TYR 56 CO 0.13 -1.72 0.21 0.00 -2.51 0.00 0.00 175.55 171.66 2k49 s ALA 57 N -2.62 0.17 -0.33 9.51 0.00 -1.08 -4.87 121.76 122.54 2k49 s ALA 57 Ca 0.64 -0.84 -0.09 0.00 0.00 0.00 0.00 51.96 51.67 2k49 s ALA 57 Cb -0.19 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.35 2k49 s ALA 57 CO 0.49 -1.73 0.15 0.15 0.00 0.00 0.00 175.76 174.82 2k49 s LYS 58 N 2.10 3.07 0.28 0.00 1.02 -1.26 -1.03 119.74 123.92 2k49 s LYS 58 Ca 0.10 -0.90 0.02 0.00 0.02 0.00 0.00 55.97 55.21 2k49 s LYS 58 Cb -0.16 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.54 2k49 s LYS 58 CO -0.31 -0.53 0.14 -2.00 -0.92 0.00 0.00 175.35 171.72 2k49 s GLU 59 N 1.56 1.50 -0.03 1.68 2.12 -0.49 -5.03 118.70 120.01 2k49 s GLU 59 Ca 0.03 -1.84 0.02 0.00 0.36 0.00 0.00 54.97 53.54 2k49 s GLU 59 Cb -0.18 -0.13 0.01 0.00 0.26 0.00 0.00 34.13 34.09 2k49 s GLU 59 CO 0.05 -0.39 -0.09 0.08 -0.54 0.00 0.00 175.26 174.38 2k49 s VAL 60 N -3.70 0.78 0.71 3.70 1.01 -1.26 -1.35 120.40 120.30 2k49 s VAL 60 Ca 0.37 -0.34 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 2k49 s VAL 60 Cb 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.76 2k49 s VAL 60 CO 0.16 0.25 1.08 0.00 0.00 0.00 0.00 175.10 176.59 2k49 s ALA 61 N 0.33 2.46 0.09 5.51 0.00 0.55 -4.89 121.76 125.81 2k49 s ALA 61 Ca -0.05 0.27 0.31 0.00 0.00 0.00 0.00 51.96 52.48 2k49 s ALA 61 Cb -0.10 -3.25 1.60 0.00 0.00 0.00 0.00 23.12 21.37 2k49 s ALA 61 CO 0.01 -1.44 1.93 0.87 0.00 0.00 0.00 175.76 177.13 2k49 h LYS 62 N -0.68 0.00 -0.38 0.00 6.56 -2.02 0.29 116.57 120.35 2k49 h LYS 62 Ca -0.44 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 2k49 h LYS 62 Cb 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2k49 h LYS 62 CO 0.54 0.00 0.00 0.09 -2.06 0.00 0.00 179.45 178.02 2k49 n ASN 63 N -2.59 1.12 -1.18 0.86 5.03 -1.26 -4.86 115.26 112.38 2k49 n ASN 63 Ca -0.01 -2.06 -0.15 0.00 0.87 0.00 0.00 54.58 53.23 2k49 n ASN 63 Cb 0.08 -0.23 -0.07 0.00 -1.02 0.00 0.00 39.78 38.55 2k49 n ASN 63 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2k49 n ASP 64 N -0.02 -4.88 -4.48 6.41 2.03 0.10 -4.98 116.55 110.74 2k49 n ASP 64 Ca 0.05 0.38 -0.42 0.00 0.52 0.00 0.00 54.79 55.32 2k49 n ASP 64 Cb 0.22 -3.73 -0.10 0.00 -0.72 0.00 0.00 41.12 36.78 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 -3.30 3.16 0.47 -0.67 1.02 -1.20 -4.84 119.74 114.38 2k49 s LYS 65 Ca 0.00 -0.88 -0.22 0.00 0.02 0.00 0.00 55.97 54.89 2k49 s LYS 65 Cb 0.00 -3.89 -0.08 0.00 -0.52 0.00 0.00 37.83 33.34 2k49 s LYS 65 CO 0.00 -0.63 1.09 -1.25 -0.92 0.00 0.00 175.35 173.64 2k49 s PRO 66 N 1.69 3.79 0.38 -1.68 0.04 -1.23 -0.33 135.00 137.66 2k49 s PRO 66 Ca 0.05 1.54 -0.15 0.00 0.04 0.00 0.00 61.00 62.48 2k49 s PRO 66 Cb -0.18 -2.26 0.06 0.00 0.04 0.00 0.00 34.50 32.16 2k49 s PRO 66 CO 0.10 -0.47 0.80 2.48 0.04 0.00 0.00 177.00 179.95 2k49 n TYR 67 N -0.70 -2.29 -4.08 0.56 4.11 -0.45 -1.34 117.16 112.97 2k49 n TYR 67 Ca 0.08 -1.80 -0.10 0.00 -0.00 0.00 0.00 57.90 56.08 2k49 n TYR 67 Cb 0.50 0.90 -0.08 0.00 -0.00 0.00 0.00 39.34 40.66 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 -2.22 0.72 0.08 -3.48 -0.71 -1.26 -1.39 117.98 109.72 2k49 s PHE 68 Ca 0.16 -1.04 0.01 0.00 -1.04 0.00 0.00 56.93 55.02 2k49 s PHE 68 Cb -0.05 -0.25 -0.04 0.00 -1.21 0.00 0.00 43.02 41.48 2k49 s PHE 68 CO 0.11 -0.72 -0.05 -0.80 -1.34 0.00 0.00 175.22 172.42 2k49 s ASN 69 N -3.06 0.89 -0.14 1.98 0.01 -0.20 -1.24 114.94 113.18 2k49 s ASN 69 Ca 0.27 -0.95 -0.01 0.00 -0.71 0.00 0.00 52.86 51.46 2k49 s ASN 69 Cb 0.04 0.12 -0.02 0.00 0.41 0.00 0.00 41.25 41.81 2k49 s ASN 69 CO 0.06 -0.48 -0.11 -0.22 -1.51 0.00 0.00 177.10 174.85 2k49 s LEU 70 N -2.83 2.83 0.20 0.60 2.96 0.51 -2.63 118.68 120.32 2k49 s LEU 70 Ca 0.08 -0.29 0.10 0.00 -0.22 0.00 0.00 54.13 53.80 2k49 s LEU 70 Cb 0.04 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 45.03 2k49 s LEU 70 CO -0.06 0.15 -0.17 -0.54 -1.32 0.00 0.00 176.35 174.41 2k49 s LYS 71 N 0.44 1.76 0.72 1.98 1.02 -1.23 -0.69 119.74 123.75 2k49 s LYS 71 Ca -0.08 -1.45 -0.02 0.00 0.02 0.00 0.00 55.97 54.44 2k49 s LYS 71 Cb -0.15 -1.97 0.12 0.00 -0.52 0.00 0.00 37.83 35.31 2k49 s LYS 71 CO 0.04 0.40 0.99 0.00 -0.92 0.00 0.00 175.35 175.87 2k49 s ALA 72 N -1.79 3.60 0.29 5.17 0.00 -0.50 -4.87 121.76 123.65 2k49 s ALA 72 Ca 0.24 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.62 2k49 s ALA 72 Cb -0.08 -2.09 0.67 0.00 0.00 0.00 0.00 23.12 21.62 2k49 s ALA 72 CO 0.13 -1.44 1.75 0.00 0.00 0.00 0.00 175.76 176.19 2k49 h ALA 73 N -0.54 1.48 -0.11 0.00 0.00 -1.98 0.14 119.26 118.26 2k49 h ALA 73 Ca -0.38 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2k49 h ALA 73 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k49 h ALA 73 CO 0.42 -0.14 0.02 -1.71 0.00 0.00 0.00 179.25 177.84 2k49 n ASN 74 N -4.87 2.06 -0.30 0.00 5.15 -1.26 -4.84 115.26 111.19 2k49 n ASN 74 Ca 0.21 -2.18 -0.04 0.00 -0.60 0.00 0.00 54.58 51.97 2k49 n ASN 74 Cb 0.55 -0.54 -0.02 0.00 -0.53 0.00 0.00 39.78 39.25 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 0.13 0.00 -2.95 1.20 8.25 0.50 -4.98 115.22 117.36 2k49 n HIS 75 Ca 0.06 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.18 2k49 n HIS 75 Cb 0.47 -1.45 -0.07 0.00 1.12 0.00 0.00 29.99 30.06 2k49 n HIS 75 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2k49 s GLN 76 N -1.74 4.17 -0.43 -0.41 -2.07 -1.25 -4.79 119.66 113.14 2k49 s GLN 76 Ca 0.00 0.95 -0.29 0.00 -1.82 0.00 0.00 55.36 54.20 2k49 s GLN 76 Cb 0.00 -2.37 0.02 0.00 -1.09 0.00 0.00 33.01 29.58 2k49 s GLN 76 CO 0.00 0.09 1.21 0.42 -1.32 0.00 0.00 175.29 175.69 2k49 s ILE 77 N -2.02 4.16 -1.32 3.63 -1.09 -1.26 -1.41 121.20 121.89 2k49 s ILE 77 Ca 0.57 1.22 0.13 0.00 -2.23 0.00 0.00 60.65 60.33 2k49 s ILE 77 Cb -0.11 -4.46 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 2k49 s ILE 77 CO 0.16 -0.86 0.79 2.30 -1.23 0.00 0.00 174.94 176.10 2k49 n ILE 78 N 6.75 0.00 -3.64 2.92 -5.35 0.14 -4.48 119.36 115.69 2k49 n ILE 78 Ca 0.13 -0.41 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 2k49 n ILE 78 Cb 0.48 1.19 -0.08 0.00 -1.74 0.00 0.00 39.64 39.50 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -1.43 -0.48 -0.03 3.28 0.00 -0.36 -4.19 107.32 104.12 2k49 s GLY 79 Ca 0.12 1.71 0.01 0.00 0.00 0.00 0.00 44.72 46.56 2k49 s GLY 79 CO 0.27 1.45 -0.03 -1.59 0.00 0.00 0.00 173.10 173.20 2k49 s THR 80 N 0.11 0.34 0.61 0.90 2.01 0.11 -0.36 115.64 119.35 2k49 s THR 80 Ca -0.02 -0.06 -0.02 0.00 0.31 0.00 0.00 61.69 61.90 2k49 s THR 80 Cb -0.04 -0.37 0.04 0.00 0.01 0.00 0.00 72.50 72.14 2k49 s THR 80 CO 0.02 0.16 0.87 -0.94 -0.69 0.00 0.00 174.62 174.04 2k49 s SER 81 N 0.63 5.12 0.65 3.53 1.04 -0.38 -0.43 113.70 123.87 2k49 s SER 81 Ca -0.07 0.21 -0.13 0.00 0.48 0.00 0.00 55.95 56.44 2k49 s SER 81 Cb -0.10 -1.01 -0.01 0.00 0.10 0.00 0.00 66.02 64.99 2k49 s SER 81 CO -0.01 -1.31 1.06 0.00 0.98 0.00 0.00 173.24 173.96 2k49 s GLN 82 N -4.96 3.12 -0.42 4.02 -2.07 -1.26 -4.80 119.66 113.29 2k49 s GLN 82 Ca 0.58 1.04 -0.28 0.00 -1.82 0.00 0.00 55.36 54.88 2k49 s GLN 82 Cb -0.10 -2.01 -0.02 0.00 -1.09 0.00 0.00 33.01 29.79 2k49 s GLN 82 CO 0.41 -0.96 1.79 0.00 -1.32 0.00 0.00 175.29 175.21 2k49 s MET 83 N -4.67 3.13 0.66 9.60 0.23 -1.26 -4.70 119.30 122.29 2k49 s MET 83 Ca 0.60 1.13 -0.08 0.00 -1.03 0.00 0.00 55.69 56.31 2k49 s MET 83 Cb -0.14 -4.24 0.02 0.00 -1.53 0.00 0.00 34.83 28.94 2k49 s MET 83 CO 0.48 -2.11 1.00 0.71 -2.03 0.00 0.00 175.02 173.07 2k49 s TYR 84 N 7.47 3.21 -0.18 3.16 2.02 -0.45 -4.99 117.35 127.58 2k49 s TYR 84 Ca 0.74 0.76 0.06 0.00 -0.37 0.00 0.00 57.07 58.26 2k49 s TYR 84 Cb -0.18 -2.97 -0.22 0.00 -0.40 0.00 0.00 41.96 38.19 2k49 s TYR 84 CO 0.30 -1.09 0.11 0.45 -1.57 0.00 0.00 175.55 173.75 2k49 n SER 85 N -2.82 1.32 -4.45 2.29 2.88 -1.26 -3.47 113.62 108.10 2k49 n SER 85 Ca 0.06 0.05 -0.30 0.00 -1.33 0.00 0.00 58.87 57.36 2k49 n SER 85 Cb 0.58 -0.08 -0.12 0.00 -0.75 0.00 0.00 64.21 63.84 2k49 n SER 85 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2k49 s SER 86 N -6.29 3.70 0.36 -3.46 1.04 -1.26 -4.70 113.70 103.09 2k49 s SER 86 Ca -0.21 -0.56 0.07 0.00 0.48 0.00 0.00 55.95 55.73 2k49 s SER 86 Cb 0.08 -0.49 0.70 0.00 0.10 0.00 0.00 66.02 66.41 2k49 s SER 86 CO 0.73 0.21 1.90 0.71 0.98 0.00 0.00 173.24 177.77 2k49 h THR 87 N 3.78 1.18 -0.11 2.02 1.35 -1.93 -2.70 112.91 116.50 2k49 h THR 87 Ca -0.49 -0.77 0.02 0.00 -0.55 0.00 0.00 66.41 64.62 2k49 h THR 87 Cb 1.16 1.07 -0.02 0.00 -1.73 0.00 0.00 68.15 68.63 2k49 h THR 87 CO 0.45 0.25 -0.01 0.00 -0.25 0.00 0.00 175.52 175.97 2k49 h ALA 88 N 1.58 0.09 -0.64 6.62 0.00 -1.99 -1.81 119.26 123.12 2k49 h ALA 88 Ca 0.08 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k49 h ALA 88 Cb 0.34 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 2k49 h ALA 88 CO 0.02 -0.46 0.42 0.00 0.00 0.00 0.00 179.25 179.22 2k49 h ALA 89 N 1.10 1.55 0.23 0.00 0.00 -1.92 0.11 119.26 120.32 2k49 h ALA 89 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 89 Cb 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2k49 h ALA 89 CO -0.10 0.42 -0.12 -0.09 0.00 0.00 0.00 179.25 179.36 2k49 h ARG 90 N 0.86 -0.32 0.00 0.00 2.43 -1.14 -0.64 114.38 115.57 2k49 h ARG 90 Ca 0.23 0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.34 2k49 h ARG 90 Cb -0.10 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2k49 h ARG 90 CO -0.05 -0.21 -0.42 0.22 -1.51 0.00 0.00 179.97 177.99 2k49 h ASP 91 N -0.33 0.00 -0.63 -3.80 3.58 -0.95 -1.90 116.42 112.39 2k49 h ASP 91 Ca -0.03 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.44 2k49 h ASP 91 Cb 0.27 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 2k49 h ASP 91 CO 0.04 0.42 0.41 0.78 -2.88 0.00 0.00 179.24 178.01 2k49 h ASN 92 N 0.00 0.69 -0.46 2.28 4.21 -0.59 -0.78 115.58 120.93 2k49 h ASN 92 Ca -0.00 -0.01 0.02 0.00 1.21 0.00 0.00 56.30 57.52 2k49 h ASN 92 Cb 0.83 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 37.84 2k49 h ASN 92 CO 0.06 0.49 0.27 1.23 -1.29 0.00 0.00 177.43 178.18 2k49 h GLY 93 N 0.82 0.64 0.62 2.83 0.00 -0.36 0.25 103.07 107.87 2k49 h GLY 93 Ca 0.24 -0.20 0.06 0.00 0.00 0.00 0.00 47.33 47.43 2k49 h GLY 93 CO -0.08 0.17 0.19 -2.22 0.00 0.00 0.00 176.54 174.61 2k49 h ILE 94 N 0.54 0.88 -0.22 2.60 2.04 -1.12 0.12 117.51 122.35 2k49 h ILE 94 Ca 0.18 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.86 2k49 h ILE 94 Cb 0.01 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2k49 h ILE 94 CO -0.08 0.07 -0.08 0.11 0.00 0.00 0.00 178.15 178.17 2k49 h LYS 95 N 0.38 0.35 -0.29 2.37 1.57 -0.77 -2.11 116.57 118.06 2k49 h LYS 95 Ca 0.22 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.81 2k49 h LYS 95 Cb 0.20 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 2k49 h LYS 95 CO -0.20 0.44 -0.30 0.77 -0.57 0.00 0.00 179.45 179.58 2k49 h SER 96 N 0.33 0.64 1.00 0.86 0.02 0.92 -0.44 113.55 116.88 2k49 h SER 96 Ca 0.07 -0.25 -0.16 0.00 -0.84 0.00 0.00 61.79 60.62 2k49 h SER 96 Cb 0.35 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.69 2k49 h SER 96 CO 0.02 0.90 -0.75 1.62 -1.14 0.00 0.00 176.83 177.48 2k49 h VAL 97 N 0.53 1.39 0.00 2.27 3.04 -0.83 0.12 116.25 122.77 2k49 h VAL 97 Ca 0.06 -2.68 -0.10 0.00 -1.01 0.00 0.00 66.70 62.97 2k49 h VAL 97 Cb 0.79 2.51 -0.01 0.00 -2.01 0.00 0.00 31.29 32.56 2k49 h VAL 97 CO 0.06 0.73 -0.48 0.24 -1.01 0.00 0.00 177.57 177.11 2k49 h MET 98 N 0.00 0.00 0.00 4.17 2.07 -1.20 0.15 114.93 120.12 2k49 h MET 98 Ca -0.01 0.00 -0.00 0.00 -2.07 0.00 0.00 59.70 57.62 2k49 h MET 98 Cb 1.45 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 31.18 2k49 h MET 98 CO 0.10 0.48 -0.03 0.93 1.07 0.00 0.00 176.91 179.46 2k49 h GLU 99 N 0.00 0.00 0.00 1.72 4.39 -0.95 -3.42 114.58 116.31 2k49 h GLU 99 Ca -0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2k49 h GLU 99 Cb 1.04 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.66 2k49 h GLU 99 CO 0.06 0.22 -1.79 0.09 -1.16 0.00 0.00 179.01 176.43 2k49 n ASN 100 N -4.74 0.40 -0.21 1.42 3.02 0.42 -4.45 115.26 111.13 2k49 n ASN 100 Ca -0.03 0.17 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 2k49 n ASN 100 Cb 0.11 0.91 0.34 0.00 -0.61 0.00 0.00 39.78 40.54 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 3.89 1.03 -3.38 7.41 0.00 -0.78 -2.66 103.07 108.59 2k49 h GLY 101 Ca -0.20 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 2k49 h GLY 101 CO 0.03 0.22 -0.08 0.58 0.00 0.00 0.00 176.54 177.28 2k49 n LYS 102 N -4.49 1.15 -3.96 4.80 2.85 -1.25 -4.77 118.16 112.49 2k49 n LYS 102 Ca 0.12 -0.25 -0.33 0.00 -1.05 0.00 0.00 58.31 56.80 2k49 n LYS 102 Cb 0.26 -1.30 -0.05 0.00 -0.65 0.00 0.00 35.03 33.28 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 0.48 5.22 -1.81 0.58 -1.32 -1.00 -5.01 115.64 112.78 2k49 s THR 103 Ca 0.17 -0.26 0.20 0.00 -1.21 0.00 0.00 61.69 60.59 2k49 s THR 103 Cb 0.08 -3.44 0.56 0.00 -1.51 0.00 0.00 72.50 68.19 2k49 s THR 103 CO 0.00 0.31 1.47 0.35 -2.21 0.00 0.00 174.62 174.53 2k49 n THR 104 N 0.94 0.94 -2.72 5.08 -2.24 -1.26 -4.89 114.28 110.13 2k49 n THR 104 Ca -0.11 -0.97 -0.43 0.00 -2.27 0.00 0.00 64.05 60.28 2k49 n THR 104 Cb 0.52 0.56 -0.03 0.00 -2.10 0.00 0.00 70.33 69.28 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 -1.04 4.22 -0.20 4.28 2.01 -1.26 -5.01 115.64 118.63 2k49 s THR 105 Ca 0.43 0.57 0.01 0.00 0.31 0.00 0.00 61.69 63.01 2k49 s THR 105 Cb 0.23 -4.63 0.03 0.00 0.01 0.00 0.00 72.50 68.14 2k49 s THR 105 CO 0.30 -1.22 -0.17 -0.63 -0.69 0.00 0.00 174.62 172.21 2k49 s ILE 106 N 4.42 2.03 -0.34 1.82 1.01 -1.26 -1.68 121.20 127.19 2k49 s ILE 106 Ca 0.36 -1.08 -0.15 0.00 0.00 0.00 0.00 60.65 59.79 2k49 s ILE 106 Cb -0.10 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 2k49 s ILE 106 CO 0.22 0.39 0.33 -0.54 0.00 0.00 0.00 174.94 175.33 2k49 s LYS 107 N 1.27 3.52 -0.16 2.79 1.02 0.12 -4.96 119.74 123.33 2k49 s LYS 107 Ca 0.02 -0.51 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 2k49 s LYS 107 Cb -0.15 -3.81 -0.03 0.00 -0.52 0.00 0.00 37.83 33.32 2k49 s LYS 107 CO -0.11 -0.51 0.58 0.34 -0.92 0.00 0.00 175.35 174.73 2k49 s ASP 108 N 1.73 6.70 -0.01 2.83 -1.08 -1.26 -1.50 116.67 124.08 2k49 s ASP 108 Ca 0.10 0.84 0.12 0.00 -0.52 0.00 0.00 52.55 53.09 2k49 s ASP 108 Cb -0.17 -2.33 0.34 0.00 -1.46 0.00 0.00 42.92 39.30 2k49 s ASP 108 CO 0.11 -0.18 1.28 0.18 0.52 0.00 0.00 175.17 177.09 2k49 n LEU 109 N 4.55 3.04 0.03 -1.34 4.77 0.57 -4.07 117.00 124.55 2k49 n LEU 109 Ca -0.03 -2.04 -0.19 0.00 -0.03 0.00 0.00 56.01 53.72 2k49 n LEU 109 Cb 0.50 -0.26 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 2k49 n LEU 109 CO 0.44 0.74 -0.60 0.71 -1.33 0.00 0.00 177.39 177.35 2k49 h THR 110 N 2.16 0.84 0.00 -5.08 1.35 -1.93 -3.41 112.91 106.84 2k49 h THR 110 Ca 0.00 -2.53 -0.05 0.00 -0.55 0.00 0.00 66.41 63.28 2k49 h THR 110 Cb 0.78 2.60 -0.01 0.00 -1.73 0.00 0.00 68.15 69.80 2k49 h THR 110 CO 0.01 0.81 -0.69 0.18 -0.25 0.00 0.00 175.52 175.59 2k49 n LEU 111 N -3.43 1.82 -4.58 3.87 4.77 -1.26 -4.94 117.00 113.25 2k49 n LEU 111 Ca -0.25 0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 55.97 2k49 n LEU 111 Cb 1.05 -0.88 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 2k49 n LEU 111 CO 0.47 -0.32 -0.27 -1.61 -1.33 0.00 0.00 177.39 174.32 2k49 s GLU 112 N -2.29 3.87 -1.19 3.23 0.41 -1.26 -5.03 118.70 116.45 2k49 s GLU 112 Ca -0.18 -0.40 -0.08 0.00 -0.41 0.00 0.00 54.97 53.90 2k49 s GLU 112 Cb 0.03 -3.18 0.23 0.00 -1.78 0.00 0.00 34.13 29.42 2k49 s GLU 112 CO 0.30 0.19 1.62 0.72 -0.49 0.00 0.00 175.26 177.60 2k49 n HIS 113 N 3.77 3.13 -2.12 1.61 8.25 -1.26 -4.15 115.22 124.45 2k49 n HIS 113 Ca -0.17 -2.88 -0.29 0.00 -0.26 0.00 0.00 57.72 54.12 2k49 n HIS 113 Cb 0.52 -1.70 -0.05 0.00 1.12 0.00 0.00 29.99 29.88 2k49 n HIS 113 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2k49 s HIS 114 N -0.78 1.89 -0.28 4.41 2.46 -1.26 -4.95 115.29 116.78 2k49 s HIS 114 Ca 0.36 0.45 -0.17 0.00 0.47 0.00 0.00 55.06 56.17 2k49 s HIS 114 Cb 0.05 -4.14 -0.02 0.00 -0.13 0.00 0.00 32.58 28.34 2k49 s HIS 114 CO 0.03 -1.81 0.48 -3.38 -2.47 0.00 0.00 174.74 167.59 2k49 s HIS 115 N 9.34 3.24 -0.15 3.88 -3.43 -1.26 -5.06 115.29 121.84 2k49 s HIS 115 Ca 0.67 0.47 -0.02 0.00 -0.80 0.00 0.00 55.06 55.38 2k49 s HIS 115 Cb -0.06 -2.72 -0.02 0.00 -1.43 0.00 0.00 32.58 28.34 2k49 s HIS 115 CO -0.01 -0.32 -0.07 -3.38 -2.00 0.00 0.00 174.74 168.96 2k49 s HIS 116 N 2.26 2.93 -0.21 0.38 -3.43 -1.26 -4.98 115.29 110.98 2k49 s HIS 116 Ca 0.19 -0.51 0.18 0.00 -0.80 0.00 0.00 55.06 54.12 2k49 s HIS 116 Cb -0.16 -1.93 0.21 0.00 -1.43 0.00 0.00 32.58 29.27 2k49 s HIS 116 CO 0.10 -0.17 1.52 0.45 -2.00 0.00 0.00 174.74 174.65 2k49 h HIS 117 N 6.88 0.00 -0.03 0.38 3.86 -2.05 -3.58 115.15 120.61 2k49 h HIS 117 Ca -0.30 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.91 2k49 h HIS 117 Cb 1.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2k49 h HIS 117 CO 0.53 0.35 0.00 0.72 0.86 0.00 0.00 177.93 180.38