#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 2.48 0.27 1.12 -0.85 -1.26 -5.01 117.35 114.10 2k7i s TYR 2 Ca 0.00 1.26 -0.20 0.00 -0.52 0.00 0.00 57.07 57.61 2k7i s TYR 2 Cb 0.00 -3.14 0.06 0.00 0.38 0.00 0.00 41.96 39.27 2k7i s TYR 2 CO 0.00 -2.16 0.91 -1.59 -1.52 0.00 0.00 175.55 171.19 2k7i s LYS 3 N -4.99 1.71 -0.38 -3.49 0.00 -1.26 -4.98 119.74 106.34 2k7i s LYS 3 Ca 0.62 -1.08 -0.13 0.00 0.00 0.00 0.00 55.97 55.38 2k7i s LYS 3 Cb -0.17 0.49 0.01 0.00 0.00 0.00 0.00 37.83 38.16 2k7i s LYS 3 CO 0.56 -0.80 0.26 -0.06 0.00 0.00 0.00 175.35 175.31 2k7i s PHE 4 N -2.41 3.23 -0.51 1.78 0.40 -1.26 -2.18 117.98 117.04 2k7i s PHE 4 Ca 0.18 -0.52 -0.20 0.00 -0.60 0.00 0.00 56.93 55.79 2k7i s PHE 4 Cb -0.04 -2.52 0.06 0.00 0.51 0.00 0.00 43.02 41.03 2k7i s PHE 4 CO 0.08 -0.52 0.67 -1.21 0.70 0.00 0.00 175.22 174.94 2k7i s GLU 5 N 1.67 3.16 -0.28 0.44 2.02 -0.60 -4.90 118.70 120.21 2k7i s GLU 5 Ca 0.05 -0.79 -0.12 0.00 0.02 0.00 0.00 54.97 54.13 2k7i s GLU 5 Cb -0.18 -4.09 -0.05 0.00 0.10 0.00 0.00 34.13 29.91 2k7i s GLU 5 CO 0.09 -1.25 0.21 0.42 0.02 0.00 0.00 175.26 174.76 2k7i s ILE 6 N 2.82 5.29 0.27 -1.63 1.01 -1.26 -2.01 121.20 125.69 2k7i s ILE 6 Ca 0.17 0.23 0.05 0.00 0.00 0.00 0.00 60.65 61.10 2k7i s ILE 6 Cb -0.18 -3.55 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 2k7i s ILE 6 CO 0.13 0.24 0.25 0.00 0.00 0.00 0.00 174.94 175.56 2k7i n TYR 7 N 5.09 -0.73 -4.33 3.97 4.11 -0.66 -5.00 117.16 119.60 2k7i n TYR 7 Ca -0.13 -2.25 -0.26 0.00 -0.00 0.00 0.00 57.90 55.26 2k7i n TYR 7 Cb 0.52 0.27 -0.13 0.00 -0.00 0.00 0.00 39.34 40.00 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 -3.05 1.25 0.54 -3.48 -2.07 -1.26 -1.06 119.66 110.53 2k7i s GLN 8 Ca 0.32 -1.26 -0.03 0.00 -1.82 0.00 0.00 55.36 52.57 2k7i s GLN 8 Cb 0.01 -1.61 0.01 0.00 -1.09 0.00 0.00 33.01 30.33 2k7i s GLN 8 CO 0.22 0.38 0.81 0.34 -1.32 0.00 0.00 175.29 175.72 2k7i s ASP 9 N -2.01 5.65 0.40 12.60 2.15 0.31 -4.84 116.67 130.92 2k7i s ASP 9 Ca 0.10 0.50 0.22 0.00 0.43 0.00 0.00 52.55 53.81 2k7i s ASP 9 Cb -0.10 -1.58 1.24 0.00 -0.30 0.00 0.00 42.92 42.18 2k7i s ASP 9 CO 0.05 -0.94 1.68 0.50 -0.17 0.00 0.00 175.17 176.29 2k7i h LYS 10 N 0.05 0.24 -0.06 4.34 3.64 -2.02 0.39 116.57 123.15 2k7i h LYS 10 Ca -0.45 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2k7i h LYS 10 Cb 1.26 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2k7i h LYS 10 CO 0.59 0.16 0.00 0.00 -2.27 0.00 0.00 179.45 177.93 2k7i n ALA 11 N -2.45 2.34 -2.67 5.00 0.00 -1.26 -4.84 120.51 116.63 2k7i n ALA 11 Ca 0.32 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.59 2k7i n ALA 11 Cb 1.14 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.60 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 0.33 -0.28 3.39 0.00 0.00 0.14 -5.01 105.19 103.76 2k7i n GLY 12 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -5.24 3.49 -0.13 1.61 2.02 -1.16 -4.81 118.70 114.49 2k7i s GLU 13 Ca 0.16 -0.57 -0.29 0.00 0.02 0.00 0.00 54.97 54.29 2k7i s GLU 13 Cb -0.07 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2k7i s GLU 13 CO 0.20 -0.23 0.98 0.71 0.02 0.00 0.00 175.26 176.94 2k7i s TYR 14 N 1.56 3.48 -0.00 1.61 2.02 -1.26 -0.53 117.35 124.23 2k7i s TYR 14 Ca 0.06 1.53 0.00 0.00 -0.37 0.00 0.00 57.07 58.29 2k7i s TYR 14 Cb -0.15 -3.17 0.01 0.00 -0.40 0.00 0.00 41.96 38.25 2k7i s TYR 14 CO 0.02 -0.25 0.01 1.03 -1.57 0.00 0.00 175.55 174.79 2k7i s ARG 15 N 2.13 -0.00 0.36 -0.62 0.52 -0.22 -3.90 118.95 117.22 2k7i s ARG 15 Ca 0.46 0.04 0.08 0.00 -0.52 0.00 0.00 55.73 55.79 2k7i s ARG 15 Cb -0.18 -0.07 -0.03 0.00 0.52 0.00 0.00 34.95 35.19 2k7i s ARG 15 CO 0.16 -0.04 0.25 -0.59 0.02 0.00 0.00 175.30 175.10 2k7i s PHE 16 N 0.26 2.78 0.09 -0.53 -0.71 -1.26 -1.66 117.98 116.95 2k7i s PHE 16 Ca -0.02 -0.38 -0.01 0.00 -1.04 0.00 0.00 56.93 55.48 2k7i s PHE 16 Cb -0.03 -1.82 -0.04 0.00 -1.21 0.00 0.00 43.02 39.92 2k7i s PHE 16 CO -0.01 0.18 -0.00 -0.98 -1.34 0.00 0.00 175.22 173.07 2k7i s ARG 17 N -3.96 0.78 -0.08 1.99 1.70 -0.85 -2.54 118.95 115.99 2k7i s ARG 17 Ca 0.41 -1.33 0.05 0.00 -0.47 0.00 0.00 55.73 54.39 2k7i s ARG 17 Cb -0.03 0.14 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2k7i s ARG 17 CO 0.25 -0.15 -0.23 0.12 -1.08 0.00 0.00 175.30 174.21 2k7i s PHE 18 N -3.91 2.52 0.53 5.89 5.36 -0.83 -1.56 117.98 125.99 2k7i s PHE 18 Ca 0.15 -0.78 0.08 0.00 -0.96 0.00 0.00 56.93 55.42 2k7i s PHE 18 Cb 0.07 -1.66 0.08 0.00 -0.34 0.00 0.00 43.02 41.18 2k7i s PHE 18 CO -0.04 -0.25 0.67 1.63 -1.46 0.00 0.00 175.22 175.76 2k7i n LYS 19 N 3.13 0.65 -4.48 10.12 4.76 -0.92 -2.65 118.16 128.77 2k7i n LYS 19 Ca -0.18 -2.97 -0.23 0.00 -2.87 0.00 0.00 58.31 52.05 2k7i n LYS 19 Cb 0.52 -0.10 -0.10 0.00 -1.84 0.00 0.00 35.03 33.52 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 -2.67 2.61 0.28 7.82 0.00 0.84 -4.60 121.76 126.04 2k7i s ALA 20 Ca 0.51 -1.74 0.06 0.00 0.00 0.00 0.00 51.96 50.78 2k7i s ALA 20 Cb -0.04 0.66 0.41 0.00 0.00 0.00 0.00 23.12 24.15 2k7i s ALA 20 CO 0.32 -0.30 1.67 0.66 0.00 0.00 0.00 175.76 178.11 2k7i h SER 21 N 1.98 0.27 -0.39 0.00 4.64 -1.95 -1.70 113.55 116.41 2k7i h SER 21 Ca -0.39 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 2k7i h SER 21 Cb 1.26 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2k7i h SER 21 CO 0.66 0.68 0.00 0.59 -0.87 0.00 0.00 176.83 177.89 2k7i n ASN 22 N -4.00 3.52 0.00 4.97 3.02 -1.26 -4.86 115.26 116.65 2k7i n ASN 22 Ca -0.02 -2.41 0.00 0.00 -0.03 0.00 0.00 54.58 52.13 2k7i n ASN 22 Cb 0.50 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.15 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 0.65 0.46 3.86 7.41 0.00 -0.64 -5.07 105.19 111.86 2k7i n GLY 23 Ca 0.17 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.92 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 -1.75 3.87 0.13 1.61 0.41 -1.25 -4.85 118.70 116.88 2k7i s GLU 24 Ca 0.00 0.69 0.09 0.00 -0.41 0.00 0.00 54.97 55.33 2k7i s GLU 24 Cb 0.00 -2.29 -0.04 0.00 -1.78 0.00 0.00 34.13 30.02 2k7i s GLU 24 CO 0.00 -0.11 -0.15 0.99 -0.49 0.00 0.00 175.26 175.50 2k7i s THR 25 N -2.44 2.99 0.00 3.63 2.01 -1.26 -0.11 115.64 120.46 2k7i s THR 25 Ca 0.55 -1.52 0.00 0.00 0.31 0.00 0.00 61.69 61.03 2k7i s THR 25 Cb -0.10 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.00 2k7i s THR 25 CO 0.30 0.05 0.00 1.15 -0.69 0.00 0.00 174.62 175.42 2k7i n MET 26 N 0.59 1.91 -3.94 4.92 0.00 -1.08 -4.97 117.12 114.54 2k7i n MET 26 Ca -0.14 0.00 -0.08 0.00 0.00 0.00 0.00 57.70 57.48 2k7i n MET 26 Cb 0.53 -0.82 -0.09 0.00 0.00 0.00 0.00 33.22 32.84 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 -1.65 0.27 0.22 3.17 -0.12 -1.25 -5.04 117.98 113.58 2k7i s PHE 27 Ca 0.00 -0.70 -0.12 0.00 -0.05 0.00 0.00 56.93 56.05 2k7i s PHE 27 Cb 0.00 -0.18 0.05 0.00 -0.63 0.00 0.00 43.02 42.26 2k7i s PHE 27 CO 0.00 -0.45 0.62 0.45 -0.05 0.00 0.00 175.22 175.79 2k7i n SER 28 N 0.19 -1.46 0.00 1.98 2.88 -1.26 -1.97 113.62 113.99 2k7i n SER 28 Ca -0.16 -1.93 0.00 0.00 -1.33 0.00 0.00 58.87 55.45 2k7i n SER 28 Cb 0.61 2.41 0.00 0.00 -0.75 0.00 0.00 64.21 66.48 2k7i n SER 28 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k7i n SER 29 N -1.26 0.00 0.00 -3.46 7.64 -1.05 -4.87 113.62 110.62 2k7i n SER 29 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.84 2k7i n SER 29 Cb 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2k7i n SER 29 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7i n GLU 30 N -1.40 0.00 -0.89 1.43 -0.58 -1.26 -4.83 120.64 113.11 2k7i n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2k7i n GLU 30 Cb 0.00 -0.17 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 2k7i n GLU 30 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k7i n GLY 31 N 2.46 0.92 5.00 0.62 0.00 -1.25 -4.21 105.19 108.72 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 2.98 0.00 0.00 0.00 173.32 176.30 2k7i n TYR 32 N -2.06 0.00 0.13 1.61 9.36 -1.26 -2.86 117.16 122.08 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 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 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 -2.90 2.98 3.00 -1.26 -5.05 118.16 114.93 2k7i n LYS 33 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.23 2k7i n LYS 33 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 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 -3.11 0.25 -0.10 3.14 0.00 -1.24 -4.49 120.51 114.96 2k7i n ALA 34 Ca 0.00 -0.81 -0.10 0.00 0.00 0.00 0.00 53.44 52.53 2k7i n ALA 34 Cb 0.00 0.66 -0.02 0.00 0.00 0.00 0.00 19.45 20.09 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 0.47 -0.50 0.00 3.64 -1.89 1.00 116.57 119.28 2k7i h LYS 35 Ca -0.10 -0.07 0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2k7i h LYS 35 Cb 0.51 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.18 2k7i h LYS 35 CO 0.15 0.45 0.08 0.00 -2.27 0.00 0.00 179.45 177.86 2k7i h ALA 36 N 0.99 0.55 0.00 5.00 0.00 -1.97 -1.54 119.26 122.29 2k7i h ALA 36 Ca 0.11 0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 2k7i h ALA 36 Cb 0.14 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2k7i h ALA 36 CO -0.01 -0.33 -0.40 0.77 0.00 0.00 0.00 179.25 179.28 2k7i h SER 37 N 0.21 0.00 0.38 0.00 0.02 -1.79 -2.77 113.55 109.60 2k7i h SER 37 Ca 0.25 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 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 -0.35 0.40 -0.18 0.00 -1.14 0.00 0.00 176.83 175.56 2k7i h ALA 38 N 1.60 -0.52 -0.38 3.77 0.00 0.19 -1.58 119.26 122.34 2k7i h ALA 38 Ca -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k7i h ALA 38 Cb 0.87 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2k7i h ALA 38 CO 0.05 -0.67 0.10 0.82 0.00 0.00 0.00 179.25 179.56 2k7i h ILE 39 N -0.76 0.84 -0.67 0.00 5.03 -1.42 -1.66 117.51 118.86 2k7i h ILE 39 Ca -0.05 -0.08 0.07 0.00 -0.12 0.00 0.00 64.86 64.68 2k7i h ILE 39 Cb 0.52 0.58 -0.06 0.00 -3.03 0.00 0.00 36.82 34.83 2k7i h ILE 39 CO 0.09 0.04 0.35 0.45 -0.68 0.00 0.00 178.15 178.40 2k7i h HIS 40 N 0.24 0.63 0.28 1.37 3.86 -1.47 0.16 115.15 120.21 2k7i h HIS 40 Ca 0.18 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.42 2k7i h HIS 40 Cb 0.19 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 2k7i h HIS 40 CO -0.17 0.27 -0.25 0.00 0.86 0.00 0.00 177.93 178.63 2k7i h ALA 41 N 1.38 -0.54 -0.38 2.45 0.00 -1.02 -2.40 119.26 118.74 2k7i h ALA 41 Ca 0.32 -0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.25 2k7i h ALA 41 Cb 0.27 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 2k7i h ALA 41 CO -0.22 -0.83 0.27 0.82 0.00 0.00 0.00 179.25 179.29 2k7i h ILE 42 N -0.55 0.81 -0.23 0.00 2.04 -0.40 -0.72 117.51 118.46 2k7i h ILE 42 Ca -0.01 -0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.80 2k7i h ILE 42 Cb 0.50 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2k7i h ILE 42 CO -0.04 0.00 -0.08 -0.33 0.00 0.00 0.00 178.15 177.70 2k7i h GLU 43 N 0.00 0.36 -0.93 2.37 5.08 -0.20 -0.18 114.58 121.08 2k7i h GLU 43 Ca 0.18 -0.08 0.13 0.00 -1.00 0.00 0.00 59.36 58.59 2k7i h GLU 43 Cb 0.73 -0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.84 2k7i h GLU 43 CO -0.00 0.46 0.54 0.77 -1.00 0.00 0.00 179.01 179.78 2k7i h SER 44 N 0.34 0.75 -0.19 1.42 0.02 -1.01 -2.70 113.55 112.19 2k7i h SER 44 Ca 0.07 0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 2k7i h SER 44 Cb 0.37 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k7i h SER 44 CO 0.02 0.37 -0.14 0.40 -1.14 0.00 0.00 176.83 176.34 2k7i h ILE 45 N 0.82 1.32 0.00 3.27 1.08 -1.12 -3.09 117.51 119.80 2k7i h ILE 45 Ca 0.48 -1.25 -0.01 0.00 -0.39 0.00 0.00 64.86 63.69 2k7i h ILE 45 Cb 0.57 1.73 -0.00 0.00 -3.07 0.00 0.00 36.82 36.05 2k7i h ILE 45 CO -0.31 0.38 -0.04 0.11 -0.69 0.00 0.00 178.15 177.60 2k7i h LYS 46 N 0.09 0.00 0.59 2.37 1.79 -1.17 -2.31 116.57 117.94 2k7i h LYS 46 Ca 0.04 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.48 2k7i h LYS 46 Cb 0.65 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2k7i h LYS 46 CO 0.04 0.04 -0.29 0.00 -1.08 0.00 0.00 179.45 178.16 2k7i h ARG 47 N 0.00 -0.77 0.00 3.15 2.47 -1.40 -3.45 114.38 114.38 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 0.13 0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 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 -5.34 0.00 0.08 7.04 5.15 -1.20 -5.01 115.26 115.99 2k7i n ASN 48 Ca -0.11 -0.61 -0.01 0.00 -0.60 0.00 0.00 54.58 53.24 2k7i n ASN 48 Cb 0.35 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.85 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 0.29 0.09 1.20 0.87 -1.59 0.29 113.55 114.70 2k7i h SER 49 Ca 0.00 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2k7i h SER 49 Cb 0.61 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2k7i h SER 49 CO 0.00 0.61 -0.11 0.00 -0.53 0.00 0.00 176.83 176.80 2k7i h ALA 50 N 1.42 1.76 -0.03 6.23 0.00 -1.95 -2.62 119.26 124.06 2k7i h ALA 50 Ca 0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k7i h ALA 50 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2k7i h ALA 50 CO 0.05 0.18 -0.00 0.41 0.00 0.00 0.00 179.25 179.89 2k7i n GLY 51 N -1.15 0.90 3.60 0.00 0.00 -0.33 -5.00 105.19 103.20 2k7i n GLY 51 Ca -0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.01 0.45 0.39 4.61 0.00 0.87 -5.06 121.76 121.02 2k7i s ALA 52 Ca 0.29 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 52.07 2k7i s ALA 52 Cb 0.20 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 20.05 2k7i s ALA 52 CO 0.31 -3.21 0.70 0.34 0.00 0.00 0.00 175.76 173.90 2k7i s ASP 53 N -2.96 6.41 -0.18 0.00 2.15 -1.26 -5.03 116.67 115.81 2k7i s ASP 53 Ca 0.66 0.91 0.00 0.00 0.43 0.00 0.00 52.55 54.55 2k7i s ASP 53 Cb -0.22 -2.23 0.04 0.00 -0.30 0.00 0.00 42.92 40.21 2k7i s ASP 53 CO 0.61 -0.38 -0.10 -0.89 -0.17 0.00 0.00 175.17 174.23 2k7i s THR 54 N -2.39 1.52 -0.02 1.71 2.01 -1.26 -5.13 115.64 112.07 2k7i s THR 54 Ca 0.47 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.68 2k7i s THR 54 Cb -0.10 -1.56 -0.00 0.00 0.01 0.00 0.00 72.50 70.85 2k7i s THR 54 CO 0.35 0.25 -0.11 0.54 -0.69 0.00 0.00 174.62 174.97 2k7i s VAL 55 N 1.47 0.89 -0.35 3.82 0.11 -1.26 -5.13 120.40 119.95 2k7i s VAL 55 Ca 0.01 -0.43 -0.13 0.00 -2.93 0.00 0.00 61.98 58.50 2k7i s VAL 55 Cb -0.15 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.91 2k7i s VAL 55 CO -0.09 0.27 0.25 -1.81 -3.33 0.00 0.00 175.10 170.39 2k7i s ASP 56 N 0.08 6.04 0.37 3.54 1.11 -1.26 -4.94 116.67 121.61 2k7i s ASP 56 Ca -0.02 -0.53 0.25 0.00 0.18 0.00 0.00 52.55 52.43 2k7i s ASP 56 Cb -0.08 -2.13 0.55 0.00 1.07 0.00 0.00 42.92 42.33 2k7i s ASP 56 CO 0.00 -0.28 1.68 -0.07 1.18 0.00 0.00 175.17 177.69 2k7i h LEU 57 N 8.51 0.00 -1.46 1.23 -0.00 -2.00 -3.33 115.31 118.26 2k7i h LEU 57 Ca -0.30 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.58 2k7i h LEU 57 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.81 2k7i h LEU 57 CO 0.65 0.00 0.00 1.07 -0.00 0.00 0.00 178.44 180.16 2k7i n THR 58 N -2.82 0.61 -0.03 0.22 5.66 -1.26 -3.39 114.28 113.26 2k7i n THR 58 Ca 0.04 -0.51 -0.15 0.00 -3.05 0.00 0.00 64.05 60.39 2k7i n THR 58 Cb 0.48 0.14 -0.12 0.00 -1.55 0.00 0.00 70.33 69.29 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 2.06 1.58 -3.25 1.09 1.35 -2.01 -3.32 112.91 110.42 2k7i h THR 59 Ca 0.00 -1.94 -0.76 0.00 -0.55 0.00 0.00 66.41 63.16 2k7i h THR 59 Cb 0.59 2.83 -0.23 0.00 -1.73 0.00 0.00 68.15 69.61 2k7i h THR 59 CO 0.04 0.52 0.44 -0.32 -0.25 0.00 0.00 175.52 175.95 2k7i s MET 60 N -3.06 3.68 -0.15 4.72 -2.45 -1.22 -5.04 119.30 115.77 2k7i s MET 60 Ca -0.16 -2.31 -0.33 0.00 -1.25 0.00 0.00 55.69 51.64 2k7i s MET 60 Cb 0.00 -4.63 -0.10 0.00 1.25 0.00 0.00 34.83 31.34 2k7i s MET 60 CO 0.72 -1.47 2.00 0.25 1.05 0.00 0.00 175.02 177.58 2k7i n THR 61 N 4.39 0.48 -1.75 10.11 -2.24 -1.25 -4.94 114.28 119.08 2k7i n THR 61 Ca 0.19 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2k7i n THR 61 Cb 0.47 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.72 2k7i n THR 61 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50