#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 1.99 0.21 1.12 -0.85 -1.23 -5.00 117.35 113.58 2k7i s TYR 2 Ca 0.00 1.67 -0.22 0.00 -0.52 0.00 0.00 57.07 57.99 2k7i s TYR 2 Cb 0.00 -3.35 0.06 0.00 0.38 0.00 0.00 41.96 39.05 2k7i s TYR 2 CO 0.00 -2.53 0.94 -1.59 -1.52 0.00 0.00 175.55 170.85 2k7i s LYS 3 N -4.35 1.43 -0.41 -3.49 0.00 -1.26 -4.96 119.74 106.70 2k7i s LYS 3 Ca 0.69 -0.85 -0.16 0.00 0.00 0.00 0.00 55.97 55.65 2k7i s LYS 3 Cb -0.25 0.45 0.02 0.00 0.00 0.00 0.00 37.83 38.05 2k7i s LYS 3 CO 0.51 -0.66 0.34 -0.06 0.00 0.00 0.00 175.35 175.49 2k7i s PHE 4 N -2.89 3.22 -0.43 1.78 0.08 -1.26 -2.36 117.98 116.12 2k7i s PHE 4 Ca 0.15 -0.52 -0.19 0.00 0.12 0.00 0.00 56.93 56.49 2k7i s PHE 4 Cb -0.03 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.76 2k7i s PHE 4 CO 0.05 -0.62 0.57 -1.21 -0.10 0.00 0.00 175.22 173.90 2k7i s GLU 5 N 1.83 3.22 -0.37 0.44 2.02 -0.49 -4.91 118.70 120.45 2k7i s GLU 5 Ca 0.07 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.40 2k7i s GLU 5 Cb -0.18 -3.96 -0.00 0.00 0.10 0.00 0.00 34.13 30.09 2k7i s GLU 5 CO 0.11 -0.95 0.36 0.42 0.02 0.00 0.00 175.26 175.22 2k7i s ILE 6 N 2.57 5.17 0.40 -1.63 1.01 -1.26 -1.56 121.20 125.89 2k7i s ILE 6 Ca 0.19 -0.14 0.05 0.00 0.00 0.00 0.00 60.65 60.75 2k7i s ILE 6 Cb -0.15 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.42 2k7i s ILE 6 CO 0.17 -0.18 0.17 -0.72 0.00 0.00 0.00 174.94 174.38 2k7i s TYR 7 N 1.98 1.77 0.02 3.97 1.13 -0.46 -5.00 117.35 120.77 2k7i s TYR 7 Ca 0.11 -1.39 0.08 0.00 -1.41 0.00 0.00 57.07 54.46 2k7i s TYR 7 Cb -0.17 -1.05 -0.03 0.00 -1.10 0.00 0.00 41.96 39.61 2k7i s TYR 7 CO 0.12 -0.45 -0.25 1.14 -2.51 0.00 0.00 175.55 173.60 2k7i s GLN 8 N -3.64 1.96 0.66 -3.49 -2.07 -1.26 -1.28 119.66 110.53 2k7i s GLN 8 Ca 0.27 -1.02 -0.11 0.00 -1.82 0.00 0.00 55.36 52.67 2k7i s GLN 8 Cb 0.02 -2.04 -0.01 0.00 -1.09 0.00 0.00 33.01 29.89 2k7i s GLN 8 CO 0.17 0.54 1.06 0.34 -1.32 0.00 0.00 175.29 176.08 2k7i s ASP 9 N -1.03 5.86 0.40 12.60 2.15 0.51 -4.82 116.67 132.33 2k7i s ASP 9 Ca 0.11 1.29 0.17 0.00 0.43 0.00 0.00 52.55 54.55 2k7i s ASP 9 Cb -0.10 -2.22 1.07 0.00 -0.30 0.00 0.00 42.92 41.37 2k7i s ASP 9 CO 0.01 -1.09 1.81 0.50 -0.17 0.00 0.00 175.17 176.23 2k7i h LYS 10 N -0.48 0.41 0.00 4.34 3.64 -2.01 0.36 116.57 122.83 2k7i h LYS 10 Ca -0.44 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2k7i h LYS 10 Cb 1.22 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2k7i h LYS 10 CO 0.63 0.27 0.00 0.00 -2.27 0.00 0.00 179.45 178.08 2k7i n ALA 11 N -2.49 2.11 -2.76 5.00 0.00 -1.26 -4.84 120.51 116.27 2k7i n ALA 11 Ca 0.22 -0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.50 2k7i n ALA 11 Cb 0.77 -1.12 0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 0.09 0.10 3.40 0.00 0.00 0.13 -5.03 105.19 103.87 2k7i n GLY 12 Ca 0.06 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 2k7i n GLY 12 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k7i s GLU 13 N -5.27 3.52 -0.44 1.61 2.56 -1.14 -4.83 118.70 114.71 2k7i s GLU 13 Ca 0.20 -0.57 -0.27 0.00 0.00 0.00 0.00 54.97 54.33 2k7i s GLU 13 Cb -0.09 -3.01 0.02 0.00 2.00 0.00 0.00 34.13 33.06 2k7i s GLU 13 CO 0.24 -0.02 0.99 0.71 -0.56 0.00 0.00 175.26 176.62 2k7i s TYR 14 N 1.05 2.94 -0.03 5.30 2.02 -1.26 -0.37 117.35 127.01 2k7i s TYR 14 Ca 0.01 0.61 0.02 0.00 -0.37 0.00 0.00 57.07 57.34 2k7i s TYR 14 Cb -0.15 -4.01 0.01 0.00 -0.40 0.00 0.00 41.96 37.41 2k7i s TYR 14 CO 0.01 -1.07 -0.06 1.03 -1.57 0.00 0.00 175.55 173.89 2k7i s ARG 15 N 3.88 0.77 0.01 -0.62 0.52 -0.41 -4.12 118.95 118.99 2k7i s ARG 15 Ca 0.41 -0.20 0.04 0.00 -0.52 0.00 0.00 55.73 55.45 2k7i s ARG 15 Cb -0.10 -0.75 -0.03 0.00 0.52 0.00 0.00 34.95 34.59 2k7i s ARG 15 CO 0.25 0.05 -0.08 -0.59 0.02 0.00 0.00 175.30 174.95 2k7i s PHE 16 N 0.36 2.83 0.36 -0.53 -0.12 -1.26 -1.35 117.98 118.27 2k7i s PHE 16 Ca -0.05 -0.08 0.09 0.00 -0.05 0.00 0.00 56.93 56.84 2k7i s PHE 16 Cb -0.09 -1.58 -0.07 0.00 -0.63 0.00 0.00 43.02 40.65 2k7i s PHE 16 CO 0.00 0.36 -0.06 -0.98 -0.05 0.00 0.00 175.22 174.48 2k7i s ARG 17 N -1.46 1.84 -0.04 1.99 1.70 -0.60 -1.61 118.95 120.77 2k7i s ARG 17 Ca 0.17 -1.98 0.05 0.00 -0.47 0.00 0.00 55.73 53.50 2k7i s ARG 17 Cb -0.11 -1.66 -0.01 0.00 -0.57 0.00 0.00 34.95 32.61 2k7i s ARG 17 CO 0.08 0.08 -0.19 0.12 -1.08 0.00 0.00 175.30 174.31 2k7i s PHE 18 N -2.66 1.84 0.51 5.89 5.36 -1.02 -1.39 117.98 126.50 2k7i s PHE 18 Ca 0.33 -0.48 0.05 0.00 -0.96 0.00 0.00 56.93 55.87 2k7i s PHE 18 Cb 0.05 -1.22 0.09 0.00 -0.34 0.00 0.00 43.02 41.60 2k7i s PHE 18 CO 0.17 -0.14 0.70 1.63 -1.46 0.00 0.00 175.22 176.12 2k7i n LYS 19 N 2.96 0.47 0.00 10.12 4.76 -0.99 -2.33 118.16 133.16 2k7i n LYS 19 Ca -0.17 -2.42 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 2k7i n LYS 19 Cb 0.53 -0.30 0.00 0.00 -1.84 0.00 0.00 35.03 33.42 2k7i n LYS 19 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2k7i n ALA 20 N -2.61 0.00 -0.01 7.82 0.00 0.11 -4.62 120.51 121.20 2k7i n ALA 20 Ca -0.12 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.29 2k7i n ALA 20 Cb 0.48 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.81 2k7i n ALA 20 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2k7i n SER 21 N 0.00 0.64 -1.39 0.00 3.41 -1.26 -3.56 113.62 111.46 2k7i n SER 21 Ca 0.00 0.29 0.09 0.00 -0.26 0.00 0.00 58.87 58.99 2k7i n SER 21 Cb 0.00 0.39 0.32 0.00 -0.26 0.00 0.00 64.21 64.66 2k7i n SER 21 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2k7i n ASN 22 N -2.86 4.48 -0.25 4.04 3.02 -1.26 -4.84 115.26 117.58 2k7i n ASN 22 Ca -0.16 -2.50 -0.03 0.00 -0.03 0.00 0.00 54.58 51.86 2k7i n ASN 22 Cb 0.95 -0.54 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 2k7i n ASN 22 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k7i n GLY 23 N 0.79 0.53 3.80 7.41 0.00 -1.25 -5.06 105.19 111.42 2k7i n GLY 23 Ca 0.24 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 2k7i n GLY 23 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k7i s GLU 24 N -2.64 3.95 -0.10 1.61 0.41 -1.26 -4.82 118.70 115.85 2k7i s GLU 24 Ca 0.00 1.30 -0.01 0.00 -0.41 0.00 0.00 54.97 55.85 2k7i s GLU 24 Cb 0.00 -2.14 -0.03 0.00 -1.78 0.00 0.00 34.13 30.18 2k7i s GLU 24 CO 0.00 -0.30 -0.06 0.99 -0.49 0.00 0.00 175.26 175.40 2k7i s THR 25 N -2.02 3.73 -0.05 3.63 2.01 -1.26 0.08 115.64 121.76 2k7i s THR 25 Ca 0.65 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 62.26 2k7i s THR 25 Cb -0.14 -2.56 -0.08 0.00 0.01 0.00 0.00 72.50 69.72 2k7i s THR 25 CO 0.18 0.56 0.05 1.15 -0.69 0.00 0.00 174.62 175.88 2k7i n MET 26 N 2.69 2.31 -3.94 4.92 0.00 -0.98 -4.98 117.12 117.14 2k7i n MET 26 Ca -0.18 -0.02 -0.10 0.00 0.00 0.00 0.00 57.70 57.41 2k7i n MET 26 Cb 0.53 -1.16 -0.07 0.00 0.00 0.00 0.00 33.22 32.52 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 -2.22 0.35 0.00 3.17 -0.71 -1.24 -5.03 117.98 112.29 2k7i s PHE 27 Ca -0.03 -0.72 -0.02 0.00 -1.04 0.00 0.00 56.93 55.12 2k7i s PHE 27 Cb 0.02 -0.02 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2k7i s PHE 27 CO 0.26 -0.73 0.03 0.45 -1.34 0.00 0.00 175.22 173.89 2k7i s SER 28 N -2.96 0.09 0.60 1.98 0.15 -1.26 -2.43 113.70 109.86 2k7i s SER 28 Ca 0.16 -0.21 -0.13 0.00 0.70 0.00 0.00 55.95 56.47 2k7i s SER 28 Cb 0.03 0.12 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2k7i s SER 28 CO -0.00 -0.21 1.03 -0.55 1.20 0.00 0.00 173.24 174.71 2k7i s SER 29 N -0.88 6.13 0.48 5.45 0.15 -0.64 -4.96 113.70 119.43 2k7i s SER 29 Ca -0.10 1.54 0.27 0.00 0.70 0.00 0.00 55.95 58.37 2k7i s SER 29 Cb -0.06 -2.49 1.05 0.00 -1.71 0.00 0.00 66.02 62.81 2k7i s SER 29 CO -0.00 -0.93 1.87 1.05 1.20 0.00 0.00 173.24 176.43 2k7i h GLU 30 N 0.03 0.00 0.00 5.44 4.11 -1.93 -3.45 114.58 118.78 2k7i h GLU 30 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2k7i h GLU 30 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k7i h GLU 30 CO 0.60 0.15 0.00 0.41 0.07 0.00 0.00 179.01 180.24 2k7i n GLY 31 N 0.12 0.97 0.00 1.06 0.00 -1.26 -4.91 105.19 101.17 2k7i n GLY 31 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k7i n GLY 31 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 2k7i n TYR 32 N 0.00 0.00 0.00 1.61 4.11 -1.26 -4.50 117.16 117.12 2k7i n TYR 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2k7i n TYR 32 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 2k7i n TYR 32 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2k7i n LYS 33 N 0.00 0.00 -3.97 -3.48 3.00 -1.26 -5.13 118.16 107.31 2k7i n LYS 33 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 2k7i n LYS 33 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.01 2k7i n LYS 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2k7i s ALA 34 N -1.00 0.06 0.04 3.14 0.00 -1.26 -4.70 121.76 118.03 2k7i s ALA 34 Ca 0.00 -1.13 -0.23 0.00 0.00 0.00 0.00 51.96 50.59 2k7i s ALA 34 Cb 0.00 0.97 -0.16 0.00 0.00 0.00 0.00 23.12 23.93 2k7i s ALA 34 CO 0.00 -0.88 1.48 -0.22 0.00 0.00 0.00 175.76 176.14 2k7i h LYS 35 N 2.08 0.09 -0.75 0.00 1.63 -1.97 -0.20 116.57 117.45 2k7i h LYS 35 Ca -0.29 -0.03 0.07 0.00 -0.85 0.00 0.00 60.65 59.56 2k7i h LYS 35 Cb 1.24 -0.01 -0.06 0.00 -0.60 0.00 0.00 32.23 32.80 2k7i h LYS 35 CO 0.38 0.35 0.43 0.00 -3.45 0.00 0.00 179.45 177.16 2k7i h ALA 36 N 0.74 1.04 0.00 5.00 0.00 -2.01 -1.39 119.26 122.64 2k7i h ALA 36 Ca 0.01 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2k7i h ALA 36 Cb 0.31 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k7i h ALA 36 CO 0.00 0.09 -0.16 0.77 0.00 0.00 0.00 179.25 179.95 2k7i h SER 37 N 0.76 0.00 0.20 0.00 0.02 -1.92 -2.72 113.55 109.89 2k7i h SER 37 Ca 0.35 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.29 2k7i h SER 37 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2k7i h SER 37 CO -0.21 0.16 -0.10 0.00 -1.14 0.00 0.00 176.83 175.55 2k7i h ALA 38 N 1.84 -0.27 -0.22 3.77 0.00 0.10 -1.83 119.26 122.65 2k7i h ALA 38 Ca -0.00 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.76 2k7i h ALA 38 Cb 0.47 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2k7i h ALA 38 CO 0.02 -0.48 0.01 0.82 0.00 0.00 0.00 179.25 179.63 2k7i h ILE 39 N -0.63 0.86 -0.95 0.00 5.03 -1.35 -0.52 117.51 119.95 2k7i h ILE 39 Ca -0.03 -0.03 0.05 0.00 -0.12 0.00 0.00 64.86 64.74 2k7i h ILE 39 Cb 0.45 0.77 -0.06 0.00 -3.03 0.00 0.00 36.82 34.96 2k7i h ILE 39 CO 0.05 0.02 0.62 0.45 -0.68 0.00 0.00 178.15 178.60 2k7i h HIS 40 N 0.08 1.14 0.62 1.37 3.86 -1.53 0.24 115.15 120.93 2k7i h HIS 40 Ca 0.10 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.31 2k7i h HIS 40 Cb 0.12 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.22 2k7i h HIS 40 CO -0.17 0.62 -0.30 0.00 0.86 0.00 0.00 177.93 178.94 2k7i h ALA 41 N 1.47 -0.83 -0.15 2.45 0.00 -1.01 -2.81 119.26 118.38 2k7i h ALA 41 Ca 0.40 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.16 2k7i h ALA 41 Cb 0.11 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2k7i h ALA 41 CO -0.14 -0.96 0.14 0.82 0.00 0.00 0.00 179.25 179.11 2k7i h ILE 42 N -0.85 0.59 -0.25 0.00 2.04 -0.08 -0.07 117.51 118.90 2k7i h ILE 42 Ca -0.09 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 2k7i h ILE 42 Cb 0.64 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 2k7i h ILE 42 CO 0.14 0.00 -0.20 -0.33 0.00 0.00 0.00 178.15 177.76 2k7i h GLU 43 N 0.00 0.45 -1.00 2.37 5.08 -0.31 -0.73 114.58 120.43 2k7i h GLU 43 Ca 0.07 -0.15 0.13 0.00 -1.00 0.00 0.00 59.36 58.41 2k7i h GLU 43 Cb 0.35 -0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 2k7i h GLU 43 CO -0.00 0.63 0.63 0.77 -1.00 0.00 0.00 179.01 180.04 2k7i h SER 44 N 0.41 0.92 -0.38 1.42 0.02 -0.87 -2.64 113.55 112.41 2k7i h SER 44 Ca 0.07 0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.95 2k7i h SER 44 Cb 0.58 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 2k7i h SER 44 CO 0.04 0.47 -0.23 0.40 -1.14 0.00 0.00 176.83 176.37 2k7i h ILE 45 N 0.98 1.28 0.00 3.27 1.08 -1.18 -2.99 117.51 119.95 2k7i h ILE 45 Ca 0.50 -1.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.57 2k7i h ILE 45 Cb 0.52 1.34 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2k7i h ILE 45 CO -0.28 0.46 -0.09 0.11 -0.69 0.00 0.00 178.15 177.66 2k7i h LYS 46 N 0.64 0.00 0.58 2.37 1.79 -1.09 -2.75 116.57 118.11 2k7i h LYS 46 Ca 0.08 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 2k7i h LYS 46 Cb 0.80 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.46 2k7i h LYS 46 CO 0.07 0.09 -0.28 0.00 -1.08 0.00 0.00 179.45 178.25 2k7i h ARG 47 N 0.00 -0.75 0.00 3.15 2.47 -1.34 -3.44 114.38 114.46 2k7i h ARG 47 Ca -0.00 0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.77 2k7i h ARG 47 Cb 0.24 0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.73 2k7i h ARG 47 CO 0.01 -0.46 -0.00 -1.71 0.56 0.00 0.00 179.97 178.37 2k7i n ASN 48 N -5.38 -0.01 0.06 7.04 5.15 -1.23 -5.02 115.26 115.88 2k7i n ASN 48 Ca -0.12 -0.29 0.03 0.00 -0.60 0.00 0.00 54.58 53.60 2k7i n ASN 48 Cb 0.34 0.00 0.41 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 0.35 0.41 1.20 0.87 -1.67 0.22 113.55 114.94 2k7i h SER 49 Ca -0.01 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2k7i h SER 49 Cb 0.29 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.17 2k7i h SER 49 CO -0.00 0.37 0.00 0.00 -0.53 0.00 0.00 176.83 176.66 2k7i h ALA 50 N 1.69 1.00 -0.01 6.23 0.00 -1.96 -2.00 119.26 124.21 2k7i h ALA 50 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2k7i h ALA 50 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2k7i h ALA 50 CO -0.00 0.00 -0.25 0.41 0.00 0.00 0.00 179.25 179.40 2k7i n GLY 51 N -0.63 0.03 3.75 0.00 0.00 -0.08 -5.03 105.19 103.24 2k7i n GLY 51 Ca -0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.78 3.46 0.78 4.61 0.00 -0.37 -5.02 121.76 123.44 2k7i s ALA 52 Ca 0.15 1.02 -0.12 0.00 0.00 0.00 0.00 51.96 53.01 2k7i s ALA 52 Cb 0.13 -3.41 0.07 0.00 0.00 0.00 0.00 23.12 19.90 2k7i s ALA 52 CO 0.36 -0.39 1.13 0.34 0.00 0.00 0.00 175.76 177.19 2k7i s ASP 53 N -0.23 4.17 -0.49 0.00 2.15 -1.26 -5.00 116.67 116.01 2k7i s ASP 53 Ca 0.50 2.03 -0.05 0.00 0.43 0.00 0.00 52.55 55.46 2k7i s ASP 53 Cb -0.34 -2.55 0.13 0.00 -0.30 0.00 0.00 42.92 39.86 2k7i s ASP 53 CO 0.41 -2.27 0.31 -0.89 -0.17 0.00 0.00 175.17 172.57 2k7i s THR 54 N -2.60 3.67 -0.14 1.71 2.01 -1.26 -5.09 115.64 113.95 2k7i s THR 54 Ca 0.66 -2.23 -0.16 0.00 0.31 0.00 0.00 61.69 60.27 2k7i s THR 54 Cb -0.21 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2k7i s THR 54 CO 0.52 -0.77 0.38 -0.69 -0.69 0.00 0.00 174.62 173.37 2k7i s VAL 55 N 0.87 5.25 -0.18 3.82 1.01 -1.26 -5.09 120.40 124.81 2k7i s VAL 55 Ca 0.10 0.73 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 2k7i s VAL 55 Cb -0.23 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 2k7i s VAL 55 CO -0.03 0.37 0.03 -0.62 0.00 0.00 0.00 175.10 174.84 2k7i s ASP 56 N 0.48 5.28 -0.21 3.32 2.15 -1.26 -4.99 116.67 121.43 2k7i s ASP 56 Ca 0.21 -0.03 0.10 0.00 0.43 0.00 0.00 52.55 53.26 2k7i s ASP 56 Cb -0.14 -1.90 -0.20 0.00 -0.30 0.00 0.00 42.92 40.38 2k7i s ASP 56 CO 0.07 0.15 -0.06 0.18 -0.17 0.00 0.00 175.17 175.33 2k7i n LEU 57 N 3.71 1.35 0.12 -1.34 7.99 -1.26 -4.40 117.00 123.17 2k7i n LEU 57 Ca -0.17 -0.06 0.13 0.00 -0.01 0.00 0.00 56.01 55.90 2k7i n LEU 57 Cb 0.52 -0.13 0.43 0.00 -0.11 0.00 0.00 43.42 44.13 2k7i n LEU 57 CO 0.34 0.67 0.88 0.00 -1.51 0.00 0.00 177.39 177.77 2k7i h THR 58 N 0.00 0.00 0.00 -5.08 1.03 -1.94 -1.44 112.91 105.47 2k7i h THR 58 Ca -0.53 -0.42 -0.01 0.00 -0.01 0.00 0.00 66.41 65.44 2k7i h THR 58 Cb 2.03 1.33 -0.02 0.00 -1.07 0.00 0.00 68.15 70.43 2k7i h THR 58 CO -0.02 0.00 -0.34 0.35 -0.01 0.00 0.00 175.52 175.50 2k7i n THR 59 N -2.32 0.78 0.00 0.00 -2.24 -1.26 -4.92 114.28 104.33 2k7i n THR 59 Ca 0.04 -1.01 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 2k7i n THR 59 Cb 0.37 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 2k7i n THR 59 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 2k7i n MET 60 N -0.56 0.00 -3.51 -0.78 0.00 -1.00 -5.09 117.12 106.18 2k7i n MET 60 Ca 0.07 0.00 -0.26 0.00 -0.00 0.00 0.00 57.70 57.50 2k7i n MET 60 Cb 0.70 0.00 -0.14 0.00 0.00 0.00 0.00 33.22 33.78 2k7i n MET 60 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 2k7i s THR 61 N -0.33 -0.14 -2.29 1.12 -4.23 -0.58 -5.06 115.64 104.14 2k7i s THR 61 Ca 0.00 -0.68 0.18 0.00 -1.18 0.00 0.00 61.69 60.01 2k7i s THR 61 Cb 0.00 -0.97 0.14 0.00 1.34 0.00 0.00 72.50 73.02 2k7i s THR 61 CO 0.00 -0.66 1.08 0.00 -0.54 0.00 0.00 174.62 174.50