#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 -0.09 0.33 1.12 -0.85 -1.26 -3.34 117.35 113.26 2k7i s TYR 2 Ca 0.00 -0.43 -0.15 0.00 -0.52 0.00 0.00 57.07 55.97 2k7i s TYR 2 Cb 0.00 0.74 0.03 0.00 0.38 0.00 0.00 41.96 43.11 2k7i s TYR 2 CO 0.00 -1.30 0.68 -1.59 -1.52 0.00 0.00 175.55 171.82 2k7i s LYS 3 N -3.34 1.97 -0.27 -3.49 0.00 -1.26 -5.00 119.74 108.35 2k7i s LYS 3 Ca 0.13 -1.33 -0.10 0.00 0.00 0.00 0.00 55.97 54.67 2k7i s LYS 3 Cb -0.05 0.58 -0.05 0.00 0.00 0.00 0.00 37.83 38.31 2k7i s LYS 3 CO 0.08 -0.89 0.17 -0.06 0.00 0.00 0.00 175.35 174.65 2k7i s PHE 4 N -3.11 3.21 -0.48 1.78 0.40 -1.26 -2.08 117.98 116.43 2k7i s PHE 4 Ca 0.17 0.05 -0.20 0.00 -0.60 0.00 0.00 56.93 56.35 2k7i s PHE 4 Cb -0.04 -2.34 0.04 0.00 0.51 0.00 0.00 43.02 41.19 2k7i s PHE 4 CO 0.11 -0.16 0.67 -1.21 0.70 0.00 0.00 175.22 175.33 2k7i s GLU 5 N 1.64 3.21 -0.36 0.44 2.02 -0.46 -4.90 118.70 120.29 2k7i s GLU 5 Ca 0.07 -0.61 -0.13 0.00 0.02 0.00 0.00 54.97 54.32 2k7i s GLU 5 Cb -0.16 -4.03 -0.00 0.00 0.10 0.00 0.00 34.13 30.04 2k7i s GLU 5 CO 0.09 -1.17 0.24 0.42 0.02 0.00 0.00 175.26 174.87 2k7i s ILE 6 N 2.86 5.17 0.33 -1.63 1.01 -1.26 -1.16 121.20 126.52 2k7i s ILE 6 Ca 0.20 -0.38 0.06 0.00 0.00 0.00 0.00 60.65 60.53 2k7i s ILE 6 Cb -0.16 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.55 2k7i s ILE 6 CO 0.16 -0.09 0.25 -0.72 0.00 0.00 0.00 174.94 174.53 2k7i s TYR 7 N 1.69 1.71 -0.02 3.97 1.13 -0.40 -5.01 117.35 120.42 2k7i s TYR 7 Ca 0.05 -1.60 0.05 0.00 -1.41 0.00 0.00 57.07 54.17 2k7i s TYR 7 Cb -0.18 -0.75 -0.03 0.00 -1.10 0.00 0.00 41.96 39.90 2k7i s TYR 7 CO 0.10 -0.79 -0.17 1.14 -2.51 0.00 0.00 175.55 173.32 2k7i s GLN 8 N -3.54 2.32 0.76 -3.49 -2.07 -1.26 -1.16 119.66 111.21 2k7i s GLN 8 Ca 0.39 -0.81 -0.12 0.00 -1.82 0.00 0.00 55.36 53.00 2k7i s GLN 8 Cb 0.03 -2.28 0.05 0.00 -1.09 0.00 0.00 33.01 29.72 2k7i s GLN 8 CO 0.25 0.59 1.11 0.34 -1.32 0.00 0.00 175.29 176.26 2k7i s ASP 9 N -0.93 4.94 0.41 12.60 2.15 -0.19 -4.77 116.67 130.89 2k7i s ASP 9 Ca 0.12 1.12 0.18 0.00 0.43 0.00 0.00 52.55 54.40 2k7i s ASP 9 Cb -0.10 -1.84 1.09 0.00 -0.30 0.00 0.00 42.92 41.77 2k7i s ASP 9 CO 0.02 -1.66 1.83 0.50 -0.17 0.00 0.00 175.17 175.68 2k7i h LYS 10 N -0.88 0.39 0.00 4.34 3.64 -2.01 0.32 116.57 122.37 2k7i h LYS 10 Ca -0.46 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2k7i h LYS 10 Cb 1.27 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2k7i h LYS 10 CO 0.63 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 178.07 2k7i n ALA 11 N -2.51 2.24 -2.05 5.00 0.00 -1.26 -4.82 120.51 117.12 2k7i n ALA 11 Ca 0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 53.44 53.55 2k7i n ALA 11 Cb 0.76 -1.12 -0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 0.27 0.19 3.41 0.00 0.00 0.11 -5.00 105.19 104.17 2k7i n GLY 12 Ca 0.06 -0.68 -0.45 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.16 3.65 0.11 1.61 0.41 -1.11 -4.74 118.70 114.48 2k7i s GLU 13 Ca 0.00 -2.06 -0.32 0.00 -0.41 0.00 0.00 54.97 52.18 2k7i s GLU 13 Cb 0.00 -4.77 -0.11 0.00 -1.78 0.00 0.00 34.13 27.47 2k7i s GLU 13 CO 0.00 -1.61 1.83 0.66 -0.49 0.00 0.00 175.26 175.64 2k7i n TYR 14 N 5.61 2.58 -3.64 1.61 4.01 -1.26 -1.02 117.16 125.05 2k7i n TYR 14 Ca 0.22 -0.11 -0.04 0.00 -0.16 0.00 0.00 57.90 57.81 2k7i n TYR 14 Cb 0.48 -2.71 -0.01 0.00 -0.31 0.00 0.00 39.34 36.78 2k7i n TYR 14 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2k7i s ARG 15 N 2.72 0.82 0.03 -0.72 1.70 -0.31 -3.66 118.95 119.53 2k7i s ARG 15 Ca 0.83 -0.41 0.05 0.00 -0.47 0.00 0.00 55.73 55.73 2k7i s ARG 15 Cb -0.51 0.31 -0.02 0.00 -0.57 0.00 0.00 34.95 34.16 2k7i s ARG 15 CO 0.38 -0.37 -0.16 -0.59 -1.08 0.00 0.00 175.30 173.48 2k7i s PHE 16 N -2.96 1.40 0.34 5.89 -0.71 -1.26 -1.28 117.98 119.40 2k7i s PHE 16 Ca 0.10 -0.33 0.08 0.00 -1.04 0.00 0.00 56.93 55.74 2k7i s PHE 16 Cb 0.00 -0.85 -0.03 0.00 -1.21 0.00 0.00 43.02 40.93 2k7i s PHE 16 CO -0.03 0.04 0.24 1.03 -1.34 0.00 0.00 175.22 175.15 2k7i s ARG 17 N -0.97 2.59 -0.02 1.99 0.52 -0.31 -1.12 118.95 121.64 2k7i s ARG 17 Ca 0.04 -1.39 0.05 0.00 -0.52 0.00 0.00 55.73 53.92 2k7i s ARG 17 Cb -0.08 -2.37 -0.01 0.00 0.52 0.00 0.00 34.95 33.02 2k7i s ARG 17 CO 0.01 0.10 -0.18 0.12 0.02 0.00 0.00 175.30 175.37 2k7i s PHE 18 N -2.35 1.67 0.50 -0.53 5.36 -1.08 -1.35 117.98 120.20 2k7i s PHE 18 Ca 0.40 -0.37 0.08 0.00 -0.96 0.00 0.00 56.93 56.08 2k7i s PHE 18 Cb -0.05 -1.09 0.08 0.00 -0.34 0.00 0.00 43.02 41.63 2k7i s PHE 18 CO 0.25 -0.07 0.69 1.63 -1.46 0.00 0.00 175.22 176.26 2k7i n LYS 19 N 2.78 0.66 -4.29 10.12 4.76 -0.88 -1.92 118.16 129.38 2k7i n LYS 19 Ca -0.16 -2.71 -0.15 0.00 -2.87 0.00 0.00 58.31 52.41 2k7i n LYS 19 Cb 0.53 -0.20 -0.10 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 s ALA 20 N -2.61 1.61 0.58 7.82 0.00 0.61 -4.70 121.76 125.08 2k7i s ALA 20 Ca 0.52 -1.61 0.29 0.00 0.00 0.00 0.00 51.96 51.15 2k7i s ALA 20 Cb -0.04 0.24 1.50 0.00 0.00 0.00 0.00 23.12 24.82 2k7i s ALA 20 CO 0.33 -0.16 1.94 0.66 0.00 0.00 0.00 175.76 178.52 2k7i h SER 21 N 2.64 0.00 0.13 0.00 4.64 -1.87 -0.19 113.55 118.89 2k7i h SER 21 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 2k7i h SER 21 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2k7i h SER 21 CO 0.64 0.00 -0.05 0.59 -0.87 0.00 0.00 176.83 177.14 2k7i n ASN 22 N -3.80 0.70 0.00 4.97 3.02 -1.26 -4.90 115.26 113.99 2k7i n ASN 22 Ca 0.08 -1.02 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2k7i n ASN 22 Cb 0.62 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 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 1.17 0.40 3.58 7.41 0.00 -0.09 -5.07 105.19 112.60 2k7i n GLY 23 Ca 0.19 -0.90 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.74 3.90 0.02 1.61 2.02 -1.24 -4.84 118.70 116.43 2k7i s GLU 24 Ca 0.00 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 2k7i s GLU 24 Cb 0.00 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2k7i s GLU 24 CO 0.00 0.04 1.07 0.99 0.02 0.00 0.00 175.26 177.38 2k7i s THR 25 N 1.04 4.55 -0.13 3.63 2.01 -1.26 -0.29 115.64 125.19 2k7i s THR 25 Ca 0.05 1.83 0.13 0.00 0.31 0.00 0.00 61.69 64.01 2k7i s THR 25 Cb -0.14 -4.17 -0.19 0.00 0.01 0.00 0.00 72.50 68.01 2k7i s THR 25 CO 0.04 0.13 0.33 1.15 -0.69 0.00 0.00 174.62 175.58 2k7i n MET 26 N 4.00 0.89 -3.66 4.92 0.00 -0.81 -4.99 117.12 117.47 2k7i n MET 26 Ca 0.07 -0.09 -0.10 0.00 0.00 0.00 0.00 57.70 57.58 2k7i n MET 26 Cb 0.49 -1.26 -0.03 0.00 0.00 0.00 0.00 33.22 32.42 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 -2.74 -0.24 -0.00 3.17 -0.71 -1.25 -5.03 117.98 111.19 2k7i s PHE 27 Ca -0.03 -0.08 0.05 0.00 -1.04 0.00 0.00 56.93 55.83 2k7i s PHE 27 Cb 0.08 0.45 -0.01 0.00 -1.21 0.00 0.00 43.02 42.33 2k7i s PHE 27 CO 0.53 -0.91 -0.14 0.45 -1.34 0.00 0.00 175.22 173.80 2k7i s SER 28 N -2.84 1.70 0.57 1.98 0.15 -1.26 -2.65 113.70 111.35 2k7i s SER 28 Ca 0.07 -0.30 0.09 0.00 0.70 0.00 0.00 55.95 56.50 2k7i s SER 28 Cb -0.01 -0.17 0.08 0.00 -1.71 0.00 0.00 66.02 64.21 2k7i s SER 28 CO -0.05 0.15 0.73 -0.55 1.20 0.00 0.00 173.24 174.71 2k7i s SER 29 N -0.50 4.99 0.00 5.45 0.15 -0.27 -4.99 113.70 118.53 2k7i s SER 29 Ca 0.05 -0.94 0.24 0.00 0.70 0.00 0.00 55.95 56.00 2k7i s SER 29 Cb -0.06 0.36 0.36 0.00 -1.71 0.00 0.00 66.02 64.97 2k7i s SER 29 CO -0.00 -1.32 1.31 -0.62 1.20 0.00 0.00 173.24 173.81 2k7i n GLU 30 N -2.17 0.59 -0.96 5.44 1.02 -1.26 -4.61 120.64 118.69 2k7i n GLU 30 Ca 0.13 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.86 2k7i n GLU 30 Cb 0.62 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 2k7i n GLU 30 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7i n GLY 31 N 1.42 0.72 5.00 0.62 0.00 -1.24 -4.53 105.19 107.18 2k7i n GLY 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2k7i n GLY 31 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k7i n TYR 32 N -2.31 0.00 0.00 1.61 9.36 -1.26 -3.45 117.16 121.11 2k7i n TYR 32 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2k7i n TYR 32 Cb 0.02 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 2k7i n TYR 32 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2k7i n LYS 33 N 0.00 0.00 -2.80 2.98 3.00 -1.26 -5.09 118.16 114.99 2k7i n LYS 33 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.24 2k7i n LYS 33 Cb 0.00 -0.01 -0.01 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 n ALA 34 N -2.45 -0.39 -0.05 3.14 0.00 -1.22 -4.92 120.51 114.61 2k7i n ALA 34 Ca 0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 53.44 52.46 2k7i n ALA 34 Cb 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 19.45 20.06 2k7i n ALA 34 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2k7i h LYS 35 N 0.00 0.34 -0.94 0.00 5.09 -1.89 -0.70 116.57 118.48 2k7i h LYS 35 Ca -0.16 -0.19 0.03 0.00 0.09 0.00 0.00 60.65 60.42 2k7i h LYS 35 Cb 0.66 0.01 -0.05 0.00 0.10 0.00 0.00 32.23 32.95 2k7i h LYS 35 CO 0.21 0.75 0.61 0.00 -2.09 0.00 0.00 179.45 178.93 2k7i h ALA 36 N 0.59 1.22 0.00 0.07 0.00 -1.98 -0.61 119.26 118.55 2k7i h ALA 36 Ca 0.02 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2k7i h ALA 36 Cb 0.70 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k7i h ALA 36 CO 0.04 0.52 -0.28 0.77 0.00 0.00 0.00 179.25 180.30 2k7i h SER 37 N 1.22 0.00 -0.16 0.00 0.02 -1.85 -2.33 113.55 110.44 2k7i h SER 37 Ca 0.36 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.24 2k7i h SER 37 Cb -0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.48 2k7i h SER 37 CO -0.10 0.28 -0.18 0.00 -1.14 0.00 0.00 176.83 175.68 2k7i h ALA 38 N 1.72 0.24 -0.20 3.77 0.00 0.37 -1.84 119.26 123.33 2k7i h ALA 38 Ca -0.00 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.61 2k7i h ALA 38 Cb 0.50 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2k7i h ALA 38 CO 0.04 0.16 -0.10 0.82 0.00 0.00 0.00 179.25 180.16 2k7i h ILE 39 N 0.05 0.68 -0.76 0.00 5.03 -1.08 -1.15 117.51 120.28 2k7i h ILE 39 Ca 0.02 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.81 2k7i h ILE 39 Cb 0.73 0.68 -0.04 0.00 -3.03 0.00 0.00 36.82 35.15 2k7i h ILE 39 CO 0.04 0.00 0.50 0.45 -0.68 0.00 0.00 178.15 178.46 2k7i h HIS 40 N -0.09 0.87 0.11 1.37 3.86 -1.41 0.11 115.15 119.97 2k7i h HIS 40 Ca 0.11 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.34 2k7i h HIS 40 Cb 0.25 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2k7i h HIS 40 CO -0.26 0.49 -0.05 0.00 0.86 0.00 0.00 177.93 178.96 2k7i h ALA 41 N 1.57 -0.15 0.00 2.45 0.00 -1.08 -2.72 119.26 119.34 2k7i h ALA 41 Ca 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2k7i h ALA 41 Cb 0.12 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k7i h ALA 41 CO -0.10 -0.52 -0.03 0.82 0.00 0.00 0.00 179.25 179.42 2k7i h ILE 42 N -0.28 0.58 -0.03 0.00 2.04 0.06 -1.05 117.51 118.83 2k7i h ILE 42 Ca -0.02 -0.12 -0.10 0.00 1.00 0.00 0.00 64.86 65.62 2k7i h ILE 42 Cb 0.23 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2k7i h ILE 42 CO 0.02 0.03 -0.47 -0.33 0.00 0.00 0.00 178.15 177.40 2k7i h GLU 43 N 0.00 0.06 -0.97 2.37 5.08 -0.53 -0.99 114.58 119.60 2k7i h GLU 43 Ca -0.00 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 2k7i h GLU 43 Cb 0.08 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 2k7i h GLU 43 CO 0.00 0.52 0.63 0.77 -1.00 0.00 0.00 179.01 179.93 2k7i h SER 44 N 0.05 1.00 -0.45 1.42 0.02 -1.03 -3.02 113.55 111.55 2k7i h SER 44 Ca -0.00 0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2k7i h SER 44 Cb 0.85 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.17 2k7i h SER 44 CO 0.06 0.65 -0.16 0.40 -1.14 0.00 0.00 176.83 176.64 2k7i h ILE 45 N 1.14 1.27 -0.19 3.27 1.08 -1.20 -2.91 117.51 119.98 2k7i h ILE 45 Ca 0.41 -1.30 0.06 0.00 -0.39 0.00 0.00 64.86 63.64 2k7i h ILE 45 Cb 0.15 1.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.07 2k7i h ILE 45 CO -0.16 0.44 0.15 0.11 -0.69 0.00 0.00 178.15 178.01 2k7i h LYS 46 N 0.73 0.00 -0.07 2.37 6.56 -1.34 -2.47 116.57 122.35 2k7i h LYS 46 Ca 0.11 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.66 2k7i h LYS 46 Cb 0.72 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.38 2k7i h LYS 46 CO 0.05 0.00 -0.10 0.00 -2.06 0.00 0.00 179.45 177.35 2k7i h ARG 47 N 0.00 0.19 0.00 3.15 2.47 -1.49 -3.44 114.38 115.26 2k7i h ARG 47 Ca 0.09 -0.11 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 2k7i h ARG 47 Cb 0.39 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 2k7i h ARG 47 CO -0.00 0.67 0.00 -1.71 0.56 0.00 0.00 179.97 179.49 2k7i n ASN 48 N -4.67 0.00 0.18 7.04 5.15 -1.23 -5.01 115.26 116.72 2k7i n ASN 48 Ca -0.08 -0.30 0.03 0.00 -0.60 0.00 0.00 54.58 53.64 2k7i n ASN 48 Cb 0.34 0.00 0.39 0.00 -0.53 0.00 0.00 39.78 39.98 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 0.06 -0.82 1.20 0.87 -1.62 -0.07 113.55 113.17 2k7i h SER 49 Ca 0.00 -0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.59 2k7i h SER 49 Cb 0.30 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 62.19 2k7i h SER 49 CO 0.00 0.35 0.54 0.00 -0.53 0.00 0.00 176.83 177.19 2k7i h ALA 50 N 1.66 1.54 -0.15 6.23 0.00 -1.95 -2.65 119.26 123.94 2k7i h ALA 50 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2k7i h ALA 50 Cb 0.54 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k7i h ALA 50 CO 0.04 0.36 0.00 0.41 0.00 0.00 0.00 179.25 180.06 2k7i n GLY 51 N -1.42 0.76 3.72 0.00 0.00 -0.31 -4.99 105.19 102.96 2k7i n GLY 51 Ca 0.11 -0.58 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.83 1.94 0.43 4.61 0.00 -0.19 -5.04 121.76 121.68 2k7i s ALA 52 Ca 0.34 0.60 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 2k7i s ALA 52 Cb 0.20 -3.40 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 2k7i s ALA 52 CO 0.30 -2.14 0.85 0.34 0.00 0.00 0.00 175.76 175.12 2k7i s ASP 53 N -2.65 6.64 -0.36 0.00 2.15 -1.26 -5.05 116.67 116.14 2k7i s ASP 53 Ca 0.68 1.36 0.01 0.00 0.43 0.00 0.00 52.55 55.03 2k7i s ASP 53 Cb -0.23 -2.41 0.10 0.00 -0.30 0.00 0.00 42.92 40.07 2k7i s ASP 53 CO 0.52 -0.42 0.10 -0.89 -0.17 0.00 0.00 175.17 174.31 2k7i s THR 54 N -2.37 2.69 -0.17 1.71 2.01 -1.26 -5.10 115.64 113.15 2k7i s THR 54 Ca 0.55 -2.17 -0.06 0.00 0.31 0.00 0.00 61.69 60.32 2k7i s THR 54 Cb -0.10 -2.89 -0.04 0.00 0.01 0.00 0.00 72.50 69.48 2k7i s THR 54 CO 0.27 -0.59 0.03 -0.69 -0.69 0.00 0.00 174.62 172.95 2k7i s VAL 55 N 1.01 4.52 -0.44 3.82 1.01 -1.26 -5.09 120.40 123.98 2k7i s VAL 55 Ca 0.08 -0.13 -0.16 0.00 0.00 0.00 0.00 61.98 61.77 2k7i s VAL 55 Cb -0.21 -3.02 0.04 0.00 0.00 0.00 0.00 36.38 33.19 2k7i s VAL 55 CO -0.06 0.47 0.39 -1.81 0.00 0.00 0.00 175.10 174.09 2k7i s ASP 56 N 0.34 6.15 0.21 3.32 1.11 -1.26 -4.93 116.67 121.61 2k7i s ASP 56 Ca 0.01 -0.95 0.26 0.00 0.18 0.00 0.00 52.55 52.05 2k7i s ASP 56 Cb -0.13 -2.19 0.86 0.00 1.07 0.00 0.00 42.92 42.53 2k7i s ASP 56 CO 0.01 -0.57 1.77 0.18 1.18 0.00 0.00 175.17 177.73 2k7i n LEU 57 N 5.38 0.76 -1.93 1.23 4.32 -1.26 -3.18 117.00 122.32 2k7i n LEU 57 Ca -0.10 0.59 0.02 0.00 -0.02 0.00 0.00 56.01 56.50 2k7i n LEU 57 Cb 0.46 -0.38 0.37 0.00 -1.62 0.00 0.00 43.42 42.25 2k7i n LEU 57 CO 0.45 -0.26 0.94 1.07 -1.22 0.00 0.00 177.39 178.37 2k7i n THR 58 N -2.23 2.84 -1.54 -5.08 5.66 -1.26 -4.97 114.28 107.70 2k7i n THR 58 Ca 0.05 -1.51 -0.47 0.00 -3.05 0.00 0.00 64.05 59.07 2k7i n THR 58 Cb 0.38 -0.31 -0.05 0.00 -1.55 0.00 0.00 70.33 68.80 2k7i n THR 58 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2k7i n THR 59 N 0.31 0.30 -1.65 1.09 -2.24 -1.19 -4.86 114.28 106.05 2k7i n THR 59 Ca 0.33 -0.32 -0.37 0.00 -2.27 0.00 0.00 64.05 61.41 2k7i n THR 59 Cb 1.27 -2.06 0.06 0.00 -2.10 0.00 0.00 70.33 67.50 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 8.24 2.71 -2.19 -0.78 1.56 -1.26 -4.99 117.12 120.41 2k7i n MET 60 Ca 0.34 -3.39 -0.43 0.00 -0.27 0.00 0.00 57.70 53.96 2k7i n MET 60 Cb 0.33 -2.27 -0.02 0.00 2.15 0.00 0.00 33.22 33.40 2k7i n MET 60 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2k7i s THR 61 N -4.91 3.78 0.00 1.12 -4.23 -1.26 -5.32 115.64 104.82 2k7i s THR 61 Ca 0.58 0.85 0.00 0.00 -1.18 0.00 0.00 61.69 61.94 2k7i s THR 61 Cb 0.47 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 70.45 2k7i s THR 61 CO -0.23 -0.42 0.00 0.00 -0.54 0.00 0.00 174.62 173.43