#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7i s TYR 2 N 0.00 -0.40 0.28 1.12 -0.85 -1.26 -3.62 117.35 112.62 2k7i s TYR 2 Ca 0.00 0.15 -0.20 0.00 -0.52 0.00 0.00 57.07 56.50 2k7i s TYR 2 Cb 0.00 0.59 0.05 0.00 0.38 0.00 0.00 41.96 42.99 2k7i s TYR 2 CO 0.00 -0.87 0.85 -1.59 -1.52 0.00 0.00 175.55 172.42 2k7i s LYS 3 N -3.63 1.77 -0.32 -3.49 0.00 -1.26 -4.98 119.74 107.84 2k7i s LYS 3 Ca 0.05 -1.08 -0.12 0.00 0.00 0.00 0.00 55.97 54.81 2k7i s LYS 3 Cb -0.02 0.53 -0.03 0.00 0.00 0.00 0.00 37.83 38.31 2k7i s LYS 3 CO -0.07 -0.82 0.24 -0.06 0.00 0.00 0.00 175.35 174.63 2k7i s PHE 4 N -2.82 3.22 -0.44 1.78 0.40 -1.26 -1.73 117.98 117.13 2k7i s PHE 4 Ca 0.15 -0.04 -0.18 0.00 -0.60 0.00 0.00 56.93 56.26 2k7i s PHE 4 Cb -0.04 -2.46 0.03 0.00 0.51 0.00 0.00 43.02 41.06 2k7i s PHE 4 CO 0.08 -0.29 0.49 -1.21 0.70 0.00 0.00 175.22 174.99 2k7i s GLU 5 N 1.78 3.11 -0.26 0.44 2.02 -0.47 -4.92 118.70 120.40 2k7i s GLU 5 Ca 0.07 -0.80 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 2k7i s GLU 5 Cb -0.17 -4.01 -0.05 0.00 0.10 0.00 0.00 34.13 30.01 2k7i s GLU 5 CO 0.11 -0.96 0.18 0.42 0.02 0.00 0.00 175.26 175.04 2k7i s ILE 6 N 2.25 5.33 0.30 -1.63 1.01 -1.26 -1.42 121.20 125.78 2k7i s ILE 6 Ca 0.13 0.20 0.06 0.00 0.00 0.00 0.00 60.65 61.04 2k7i s ILE 6 Cb -0.18 -3.52 -0.02 0.00 0.01 0.00 0.00 42.46 38.74 2k7i s ILE 6 CO 0.13 0.30 0.23 0.00 0.00 0.00 0.00 174.94 175.60 2k7i n TYR 7 N 4.64 -0.56 -4.27 3.97 4.11 -0.26 -4.98 117.16 119.80 2k7i n TYR 7 Ca -0.14 -2.43 -0.21 0.00 -0.00 0.00 0.00 57.90 55.12 2k7i n TYR 7 Cb 0.52 0.21 -0.12 0.00 -0.00 0.00 0.00 39.34 39.95 2k7i n TYR 7 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.86 178.00 2k7i s GLN 8 N -3.21 1.09 0.60 -3.48 -2.07 -1.26 -1.20 119.66 110.13 2k7i s GLN 8 Ca 0.32 -1.22 0.10 0.00 -1.82 0.00 0.00 55.36 52.74 2k7i s GLN 8 Cb 0.02 -1.16 0.10 0.00 -1.09 0.00 0.00 33.01 30.87 2k7i s GLN 8 CO 0.23 0.25 0.82 0.34 -1.32 0.00 0.00 175.29 175.60 2k7i s ASP 9 N -2.25 5.01 0.39 12.60 2.15 -0.36 -4.78 116.67 129.44 2k7i s ASP 9 Ca 0.08 -0.92 0.18 0.00 0.43 0.00 0.00 52.55 52.32 2k7i s ASP 9 Cb -0.07 0.44 1.09 0.00 -0.30 0.00 0.00 42.92 44.08 2k7i s ASP 9 CO 0.04 -1.42 1.76 0.50 -0.17 0.00 0.00 175.17 175.88 2k7i h LYS 10 N 0.12 0.39 -0.66 4.34 3.11 -2.03 0.29 116.57 122.14 2k7i h LYS 10 Ca -0.28 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.53 2k7i h LYS 10 Cb 1.29 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.43 2k7i h LYS 10 CO 0.40 0.26 0.00 0.00 -2.81 0.00 0.00 179.45 177.30 2k7i n ALA 11 N -2.46 2.83 -1.45 5.00 0.00 -1.26 -4.82 120.51 118.35 2k7i n ALA 11 Ca 0.26 -0.63 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 2k7i n ALA 11 Cb 0.88 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.27 2k7i n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k7i n GLY 12 N 0.46 0.96 3.56 0.00 0.00 0.10 -4.94 105.19 105.33 2k7i n GLY 12 Ca 0.10 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 2k7i n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7i s GLU 13 N -3.15 3.45 -0.57 1.61 2.02 -1.10 -4.58 118.70 116.38 2k7i s GLU 13 Ca 0.00 -0.99 -0.31 0.00 0.02 0.00 0.00 54.97 53.69 2k7i s GLU 13 Cb 0.00 -5.28 -0.13 0.00 0.10 0.00 0.00 34.13 28.82 2k7i s GLU 13 CO 0.00 -2.35 2.40 0.66 0.02 0.00 0.00 175.26 175.99 2k7i n TYR 14 N 9.54 1.26 -4.34 1.61 4.01 -1.26 -1.22 117.16 126.76 2k7i n TYR 14 Ca 0.33 0.26 -0.20 0.00 -0.16 0.00 0.00 57.90 58.13 2k7i n TYR 14 Cb 0.50 -2.52 -0.16 0.00 -0.31 0.00 0.00 39.34 36.86 2k7i n TYR 14 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2k7i s ARG 15 N 7.61 0.95 0.40 -0.72 0.52 -0.34 -3.63 118.95 123.74 2k7i s ARG 15 Ca 1.13 -0.26 0.08 0.00 -0.52 0.00 0.00 55.73 56.16 2k7i s ARG 15 Cb -0.77 -0.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.76 2k7i s ARG 15 CO 0.42 0.06 0.16 -0.59 0.02 0.00 0.00 175.30 175.37 2k7i s PHE 16 N 0.38 2.61 0.20 -0.53 -0.12 -1.26 -1.10 117.98 118.16 2k7i s PHE 16 Ca -0.06 -0.55 -0.03 0.00 -0.05 0.00 0.00 56.93 56.24 2k7i s PHE 16 Cb -0.10 -1.89 -0.03 0.00 -0.63 0.00 0.00 43.02 40.37 2k7i s PHE 16 CO 0.01 0.23 0.18 -0.98 -0.05 0.00 0.00 175.22 174.61 2k7i s ARG 17 N -3.88 1.23 -0.00 1.99 1.70 -0.51 -2.55 118.95 116.93 2k7i s ARG 17 Ca 0.40 -1.55 0.05 0.00 -0.47 0.00 0.00 55.73 54.17 2k7i s ARG 17 Cb 0.03 0.30 -0.01 0.00 -0.57 0.00 0.00 34.95 34.70 2k7i s ARG 17 CO 0.22 -0.42 -0.17 0.12 -1.08 0.00 0.00 175.30 173.97 2k7i s PHE 18 N -4.12 1.54 0.62 5.89 5.36 -1.02 -1.37 117.98 124.88 2k7i s PHE 18 Ca 0.35 -0.30 0.04 0.00 -0.96 0.00 0.00 56.93 56.05 2k7i s PHE 18 Cb 0.06 -0.98 0.12 0.00 -0.34 0.00 0.00 43.02 41.87 2k7i s PHE 18 CO 0.10 -0.01 0.85 1.63 -1.46 0.00 0.00 175.22 176.34 2k7i n LYS 19 N 2.52 0.23 -4.26 10.12 4.76 -0.70 -2.33 118.16 128.50 2k7i n LYS 19 Ca -0.15 -2.70 -0.15 0.00 -2.87 0.00 0.00 58.31 52.44 2k7i n LYS 19 Cb 0.54 -0.45 -0.10 0.00 -1.84 0.00 0.00 35.03 33.18 2k7i n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k7i s ALA 20 N -2.94 1.54 0.60 7.82 0.00 0.37 -4.63 121.76 124.51 2k7i s ALA 20 Ca 0.60 -1.50 0.29 0.00 0.00 0.00 0.00 51.96 51.35 2k7i s ALA 20 Cb -0.04 0.02 1.63 0.00 0.00 0.00 0.00 23.12 24.73 2k7i s ALA 20 CO 0.39 -0.06 2.04 0.77 0.00 0.00 0.00 175.76 178.90 2k7i h SER 21 N 2.79 0.00 1.23 0.00 0.02 -1.89 0.20 113.55 115.89 2k7i h SER 21 Ca -0.37 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 2k7i h SER 21 Cb 1.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.74 2k7i h SER 21 CO 0.63 0.00 -0.06 -3.20 -1.14 0.00 0.00 176.83 173.06 2k7i n ASN 22 N -3.67 0.49 -1.28 3.07 5.15 -1.26 -4.93 115.26 112.83 2k7i n ASN 22 Ca 0.03 0.49 0.00 0.00 -0.60 0.00 0.00 54.58 54.50 2k7i n ASN 22 Cb 0.41 -0.59 0.00 0.00 -0.53 0.00 0.00 39.78 39.07 2k7i n ASN 22 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2k7i n GLY 23 N 1.39 0.43 3.22 8.20 0.00 0.06 -5.13 105.19 113.35 2k7i n GLY 23 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2k7i n GLY 23 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k7i s GLU 24 N -2.85 0.73 0.00 1.61 -1.05 -1.25 -4.94 118.70 110.94 2k7i s GLU 24 Ca 0.00 -0.48 -0.19 0.00 -0.15 0.00 0.00 54.97 54.15 2k7i s GLU 24 Cb 0.00 0.31 -0.06 0.00 -0.44 0.00 0.00 34.13 33.95 2k7i s GLU 24 CO 0.00 -0.22 0.55 0.99 0.95 0.00 0.00 175.26 177.53 2k7i s THR 25 N -2.26 4.92 -0.03 1.83 2.01 -1.26 -0.48 115.64 120.37 2k7i s THR 25 Ca -0.07 1.15 0.04 0.00 0.31 0.00 0.00 61.69 63.12 2k7i s THR 25 Cb -0.02 -3.88 -0.06 0.00 0.01 0.00 0.00 72.50 68.55 2k7i s THR 25 CO -0.02 0.46 0.05 1.15 -0.69 0.00 0.00 174.62 175.57 2k7i n MET 26 N 2.50 1.95 -3.85 4.92 0.00 -0.98 -4.99 117.12 116.67 2k7i n MET 26 Ca -0.09 -0.02 -0.09 0.00 0.00 0.00 0.00 57.70 57.51 2k7i n MET 26 Cb 0.51 -1.11 -0.07 0.00 0.00 0.00 0.00 33.22 32.56 2k7i n MET 26 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2k7i s PHE 27 N -2.19 0.15 0.21 3.17 -0.12 -1.25 -5.04 117.98 112.91 2k7i s PHE 27 Ca -0.02 -0.56 -0.17 0.00 -0.05 0.00 0.00 56.93 56.13 2k7i s PHE 27 Cb 0.02 -0.02 0.06 0.00 -0.63 0.00 0.00 43.02 42.45 2k7i s PHE 27 CO 0.18 -0.59 0.86 -1.13 -0.05 0.00 0.00 175.22 174.49 2k7i n SER 28 N -0.10 -1.67 -2.61 1.98 3.41 -1.26 -2.42 113.62 110.94 2k7i n SER 28 Ca -0.14 -1.97 -0.19 0.00 -0.26 0.00 0.00 58.87 56.31 2k7i n SER 28 Cb 0.63 2.74 0.03 0.00 -0.26 0.00 0.00 64.21 67.35 2k7i n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k7i n SER 29 N -1.28 -5.52 -0.30 4.04 7.64 -1.06 -4.88 113.62 112.26 2k7i n SER 29 Ca -0.03 -0.24 -0.02 0.00 1.01 0.00 0.00 58.87 59.59 2k7i n SER 29 Cb 0.52 -4.36 0.11 0.00 -1.01 0.00 0.00 64.21 59.47 2k7i n SER 29 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 2k7i h GLU 30 N -1.17 0.97 -5.06 1.43 -0.00 -1.93 -3.48 114.58 105.33 2k7i h GLU 30 Ca -0.46 -0.06 -0.26 0.00 -0.00 0.00 0.00 59.36 58.59 2k7i h GLU 30 Cb 1.32 -0.22 0.15 0.00 -0.00 0.00 0.00 28.75 30.00 2k7i h GLU 30 CO 0.49 0.64 -0.67 0.41 -0.00 0.00 0.00 179.01 179.89 2k7i n GLY 31 N -1.32 -0.42 0.18 1.06 0.00 -1.26 -4.97 105.19 98.46 2k7i n GLY 31 Ca 0.10 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2k7i n GLY 31 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2k7i h TYR 32 N -1.38 -0.33 0.00 1.61 3.20 -1.93 -3.49 116.97 114.65 2k7i h TYR 32 Ca -0.50 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.36 2k7i h TYR 32 Cb 1.28 0.11 0.00 0.00 1.54 0.00 0.00 36.73 39.66 2k7i h TYR 32 CO 0.33 -0.02 0.00 1.17 -1.64 0.00 0.00 178.16 178.00 2k7i n LYS 33 N -5.01 0.00 -3.50 1.82 3.00 -1.26 -5.09 118.16 108.12 2k7i n LYS 33 Ca -0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.13 2k7i n LYS 33 Cb 0.23 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.24 2k7i n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k7i n ALA 34 N -1.36 -0.47 -0.10 3.14 0.00 -1.26 -4.64 120.51 115.82 2k7i n ALA 34 Ca 0.00 -1.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.06 2k7i n ALA 34 Cb 0.00 1.03 -0.02 0.00 0.00 0.00 0.00 19.45 20.46 2k7i n ALA 34 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k7i h LYS 35 N 0.00 0.45 -0.65 0.00 3.64 -1.96 0.10 116.57 118.16 2k7i h LYS 35 Ca -0.23 -0.08 0.09 0.00 -1.27 0.00 0.00 60.65 59.16 2k7i h LYS 35 Cb 0.98 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.66 2k7i h LYS 35 CO 0.31 0.45 0.29 0.00 -2.27 0.00 0.00 179.45 178.23 2k7i h ALA 36 N 0.98 0.87 0.00 5.00 0.00 -2.00 -0.68 119.26 123.43 2k7i h ALA 36 Ca 0.10 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2k7i h ALA 36 Cb 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k7i h ALA 36 CO -0.01 -0.12 -0.37 0.77 0.00 0.00 0.00 179.25 179.52 2k7i h SER 37 N 0.50 0.00 0.27 0.00 0.02 -1.91 -2.19 113.55 110.25 2k7i h SER 37 Ca 0.32 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.26 2k7i h SER 37 Cb 0.36 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.90 2k7i h SER 37 CO -0.28 0.37 -0.13 0.00 -1.14 0.00 0.00 176.83 175.65 2k7i h ALA 38 N 1.63 -0.36 -0.42 3.77 0.00 0.61 -0.71 119.26 123.78 2k7i h ALA 38 Ca -0.00 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.79 2k7i h ALA 38 Cb 0.91 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 2k7i h ALA 38 CO 0.05 -0.50 0.04 0.82 0.00 0.00 0.00 179.25 179.66 2k7i h ILE 39 N -0.78 0.72 -0.82 0.00 5.03 -1.25 -1.61 117.51 118.81 2k7i h ILE 39 Ca -0.04 -0.05 0.02 0.00 -0.12 0.00 0.00 64.86 64.67 2k7i h ILE 39 Cb 0.50 0.55 -0.05 0.00 -3.03 0.00 0.00 36.82 34.80 2k7i h ILE 39 CO 0.06 0.03 0.53 0.45 -0.68 0.00 0.00 178.15 178.54 2k7i h HIS 40 N 0.15 1.00 0.30 1.37 3.86 -1.39 0.16 115.15 120.60 2k7i h HIS 40 Ca 0.21 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2k7i h HIS 40 Cb 0.28 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.42 2k7i h HIS 40 CO -0.25 0.60 -0.16 0.00 0.86 0.00 0.00 177.93 178.98 2k7i h ALA 41 N 1.32 -0.42 -0.29 2.45 0.00 -0.88 -2.23 119.26 119.21 2k7i h ALA 41 Ca 0.31 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.22 2k7i h ALA 41 Cb -0.05 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2k7i h ALA 41 CO -0.09 -0.74 0.23 0.82 0.00 0.00 0.00 179.25 179.47 2k7i h ILE 42 N -0.42 0.70 -0.17 0.00 2.04 -0.67 -0.61 117.51 118.38 2k7i h ILE 42 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 2k7i h ILE 42 Cb 0.34 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2k7i h ILE 42 CO 0.05 0.00 -0.15 -0.33 0.00 0.00 0.00 178.15 177.73 2k7i h GLU 43 N 0.00 0.27 -0.97 2.37 4.39 -0.07 -0.14 114.58 120.42 2k7i h GLU 43 Ca 0.14 -0.07 0.13 0.00 0.34 0.00 0.00 59.36 59.91 2k7i h GLU 43 Cb 0.60 -0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 29.13 2k7i h GLU 43 CO -0.00 0.42 0.60 0.77 -1.16 0.00 0.00 179.01 179.64 2k7i h SER 44 N 0.25 0.84 -0.11 1.42 0.02 -0.96 -2.52 113.55 112.49 2k7i h SER 44 Ca 0.05 0.06 -0.06 0.00 -0.84 0.00 0.00 61.79 61.00 2k7i h SER 44 Cb 0.42 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2k7i h SER 44 CO 0.03 0.41 -0.18 0.40 -1.14 0.00 0.00 176.83 176.35 2k7i h ILE 45 N 0.90 1.38 0.00 3.27 1.08 -1.12 -3.17 117.51 119.85 2k7i h ILE 45 Ca 0.50 -1.43 -0.00 0.00 -0.39 0.00 0.00 64.86 63.54 2k7i h ILE 45 Cb 0.58 2.05 -0.00 0.00 -3.07 0.00 0.00 36.82 36.38 2k7i h ILE 45 CO -0.30 0.41 -0.00 0.11 -0.69 0.00 0.00 178.15 177.68 2k7i h LYS 46 N -0.11 0.00 0.00 2.37 1.79 -1.06 -2.51 116.57 117.04 2k7i h LYS 46 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k7i h LYS 46 Cb 0.75 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.40 2k7i h LYS 46 CO 0.04 0.00 0.00 0.54 -1.08 0.00 0.00 179.45 178.95 2k7i n ARG 47 N -3.32 0.00 -0.56 3.15 5.12 -0.97 -4.81 116.66 115.26 2k7i n ARG 47 Ca -0.03 0.41 -0.02 0.00 -1.93 0.00 0.00 57.85 56.29 2k7i n ARG 47 Cb 0.09 -1.39 -0.02 0.00 -1.16 0.00 0.00 32.46 29.98 2k7i n ARG 47 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2k7i n ASN 48 N -1.73 -0.22 0.26 0.55 5.15 -1.22 -4.99 115.26 113.05 2k7i n ASN 48 Ca 0.00 -1.09 0.10 0.00 -0.60 0.00 0.00 54.58 52.99 2k7i n ASN 48 Cb 0.00 0.07 0.68 0.00 -0.53 0.00 0.00 39.78 40.00 2k7i n ASN 48 CO 0.00 0.00 0.00 -1.28 1.40 0.00 0.00 177.26 177.38 2k7i h SER 49 N 0.00 0.00 -0.14 1.20 0.87 -1.64 0.26 113.55 114.11 2k7i h SER 49 Ca -0.13 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.42 2k7i h SER 49 Cb 0.98 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2k7i h SER 49 CO -0.07 0.07 0.05 0.00 -0.53 0.00 0.00 176.83 176.36 2k7i h ALA 50 N 1.93 1.72 -0.21 6.23 0.00 -1.95 -2.54 119.26 124.43 2k7i h ALA 50 Ca -0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k7i h ALA 50 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2k7i h ALA 50 CO 0.01 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2k7i n GLY 51 N -1.27 1.27 3.37 0.00 0.00 0.72 -4.99 105.19 104.29 2k7i n GLY 51 Ca -0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 2k7i n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k7i s ALA 52 N -1.75 -0.42 0.21 4.61 0.00 -0.05 -5.08 121.76 119.29 2k7i s ALA 52 Ca 0.34 -0.84 0.07 0.00 0.00 0.00 0.00 51.96 51.52 2k7i s ALA 52 Cb 0.21 -2.93 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 2k7i s ALA 52 CO 0.31 -4.36 0.13 0.34 0.00 0.00 0.00 175.76 172.18 2k7i s ASP 53 N -3.32 5.32 -0.26 0.00 2.15 -1.26 -5.04 116.67 114.26 2k7i s ASP 53 Ca 0.69 -0.26 0.03 0.00 0.43 0.00 0.00 52.55 53.44 2k7i s ASP 53 Cb -0.12 -1.31 0.06 0.00 -0.30 0.00 0.00 42.92 41.24 2k7i s ASP 53 CO 0.58 0.02 -0.11 -0.89 -0.17 0.00 0.00 175.17 174.60 2k7i s THR 54 N -1.95 2.22 -0.14 1.71 2.01 -1.26 -5.12 115.64 113.11 2k7i s THR 54 Ca 0.31 -1.58 -0.03 0.00 0.31 0.00 0.00 61.69 60.71 2k7i s THR 54 Cb -0.09 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.12 2k7i s THR 54 CO 0.23 0.00 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.41 2k7i s VAL 55 N 1.12 3.72 -0.32 3.82 1.01 -1.26 -5.11 120.40 123.39 2k7i s VAL 55 Ca -0.08 -0.42 -0.08 0.00 0.00 0.00 0.00 61.98 61.40 2k7i s VAL 55 Cb -0.20 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.59 2k7i s VAL 55 CO -0.05 0.51 0.11 -0.62 0.00 0.00 0.00 175.10 175.05 2k7i s ASP 56 N 0.25 5.30 0.25 3.32 -1.08 -1.26 -4.97 116.67 118.49 2k7i s ASP 56 Ca -0.04 -0.87 0.20 0.00 -0.52 0.00 0.00 52.55 51.32 2k7i s ASP 56 Cb -0.14 -1.91 0.08 0.00 -1.46 0.00 0.00 42.92 39.49 2k7i s ASP 56 CO 0.03 -0.26 1.23 -0.07 0.52 0.00 0.00 175.17 176.63 2k7i h LEU 57 N 8.27 0.00 -1.66 -1.34 -0.00 -2.03 -3.37 115.31 115.18 2k7i h LEU 57 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2k7i h LEU 57 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2k7i h LEU 57 CO 0.61 0.22 0.00 1.07 -0.00 0.00 0.00 178.44 180.34 2k7i n THR 58 N -2.95 0.55 0.18 0.22 5.66 -1.26 -3.21 114.28 113.47 2k7i n THR 58 Ca -0.00 -0.59 0.07 0.00 -3.05 0.00 0.00 64.05 60.47 2k7i n THR 58 Cb 0.64 0.36 0.14 0.00 -1.55 0.00 0.00 70.33 69.93 2k7i n THR 58 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 2k7i h THR 59 N 2.76 0.54 -0.04 1.09 1.35 -2.01 -3.27 112.91 113.33 2k7i h THR 59 Ca 0.00 -1.66 -0.07 0.00 -0.55 0.00 0.00 66.41 64.13 2k7i h THR 59 Cb 0.63 2.19 0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2k7i h THR 59 CO 0.00 0.30 -0.25 -0.03 -0.25 0.00 0.00 175.52 175.29 2k7i h MET 60 N 0.00 0.23 -7.24 4.72 -1.53 -1.84 -3.46 114.93 105.82 2k7i h MET 60 Ca -0.00 -0.20 -0.49 0.00 -3.44 0.00 0.00 59.70 55.57 2k7i h MET 60 Cb 1.16 0.05 0.04 0.00 -0.55 0.00 0.00 31.60 32.29 2k7i h MET 60 CO 0.04 0.87 0.39 0.95 0.14 0.00 0.00 176.91 179.29 2k7i s THR 61 N -3.50 4.43 0.00 -0.77 -4.23 -1.23 -5.22 115.64 105.11 2k7i s THR 61 Ca -0.15 1.06 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 2k7i s THR 61 Cb 0.02 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2k7i s THR 61 CO 0.75 -0.77 0.00 0.00 -0.54 0.00 0.00 174.62 174.06