#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka7 n LYS 2 N 0.00 -3.62 -3.97 3.17 4.81 0.18 -4.95 118.16 113.79 2ka7 n LYS 2 Ca 0.00 0.50 -0.17 0.00 -0.87 0.00 0.00 58.31 57.77 2ka7 n LYS 2 Cb 0.00 -4.74 -0.16 0.00 0.02 0.00 0.00 35.03 30.15 2ka7 n LYS 2 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2ka7 s MET 3 N -6.22 0.33 -0.41 1.64 1.75 0.08 -4.97 119.30 111.50 2ka7 s MET 3 Ca 0.07 0.03 0.04 0.00 -1.25 0.00 0.00 55.69 54.58 2ka7 s MET 3 Cb -0.02 -0.47 0.11 0.00 2.84 0.00 0.00 34.83 37.29 2ka7 s MET 3 CO 0.85 -0.10 0.14 0.21 -0.65 0.00 0.00 175.02 175.48 2ka7 s LYS 4 N 0.82 1.62 1.11 4.11 2.20 -1.26 -0.83 119.74 127.51 2ka7 s LYS 4 Ca -0.08 -2.13 -0.19 0.00 -0.36 0.00 0.00 55.97 53.21 2ka7 s LYS 4 Cb -0.12 -3.15 0.27 0.00 -1.51 0.00 0.00 37.83 33.32 2ka7 s LYS 4 CO -0.01 -1.02 1.25 0.15 -0.36 0.00 0.00 175.35 175.36 2ka7 s LYS 5 N 0.46 -0.54 0.33 4.03 3.01 -1.25 -4.81 119.74 120.96 2ka7 s LYS 5 Ca 0.14 -0.40 0.04 0.00 -1.01 0.00 0.00 55.97 54.74 2ka7 s LYS 5 Cb -0.22 -1.71 -0.02 0.00 -1.01 0.00 0.00 37.83 34.87 2ka7 s LYS 5 CO -0.05 -3.21 0.32 0.71 0.51 0.00 0.00 175.35 173.63 2ka7 s TYR 6 N -3.55 1.53 0.31 3.18 1.51 -1.01 -0.73 117.35 118.59 2ka7 s TYR 6 Ca 0.75 -1.55 0.03 0.00 -1.01 0.00 0.00 57.07 55.29 2ka7 s TYR 6 Cb -0.04 -0.53 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 2ka7 s TYR 6 CO 0.55 -0.93 0.16 0.95 -1.11 0.00 0.00 175.55 175.17 2ka7 s THR 7 N -3.38 0.32 0.14 -0.71 -4.23 -0.52 -2.97 115.64 104.30 2ka7 s THR 7 Ca 0.38 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.86 2ka7 s THR 7 Cb 0.02 -2.51 -0.16 0.00 1.34 0.00 0.00 72.50 71.19 2ka7 s THR 7 CO 0.25 0.00 1.34 0.11 -0.54 0.00 0.00 174.62 175.78 2ka7 h LYS 8 N 2.21 0.38 -2.15 3.99 6.56 -1.96 -3.13 116.57 122.47 2ka7 h LYS 8 Ca -0.33 -0.39 -0.35 0.00 -1.06 0.00 0.00 60.65 58.52 2ka7 h LYS 8 Cb 1.25 0.10 -0.09 0.00 -0.57 0.00 0.00 32.23 32.92 2ka7 h LYS 8 CO 0.51 1.05 0.46 -2.37 -2.06 0.00 0.00 179.45 177.04 2ka7 n THR 9 N -3.76 3.36 -4.14 -0.16 5.66 -1.26 -4.84 114.28 109.14 2ka7 n THR 9 Ca -0.06 -2.16 -0.32 0.00 -3.05 0.00 0.00 64.05 58.46 2ka7 n THR 9 Cb 0.80 -1.97 -0.05 0.00 -1.55 0.00 0.00 70.33 67.56 2ka7 n THR 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2ka7 n HIS 10 N 2.17 -1.42 -4.29 1.09 1.44 -1.18 -4.82 115.22 108.21 2ka7 n HIS 10 Ca 0.50 0.54 -0.27 0.00 -2.01 0.00 0.00 57.72 56.48 2ka7 n HIS 10 Cb 0.71 -3.09 -0.09 0.00 0.12 0.00 0.00 29.99 27.64 2ka7 n HIS 10 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2ka7 s GLU 11 N -7.10 2.08 0.29 -1.40 2.02 -1.26 -1.37 118.70 111.97 2ka7 s GLU 11 Ca 0.11 -1.26 0.08 0.00 0.02 0.00 0.00 54.97 53.92 2ka7 s GLU 11 Cb -0.06 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 2ka7 s GLU 11 CO 0.96 0.44 0.18 1.67 0.02 0.00 0.00 175.26 178.53 2ka7 s TRP 12 N -1.70 2.91 0.28 1.61 1.48 -0.33 -1.43 118.94 121.75 2ka7 s TRP 12 Ca 0.25 -0.23 0.07 0.00 -1.06 0.00 0.00 56.10 55.13 2ka7 s TRP 12 Cb -0.09 -1.53 -0.06 0.00 -1.16 0.00 0.00 33.47 30.64 2ka7 s TRP 12 CO 0.15 0.40 -0.08 0.08 -4.06 0.00 0.00 176.95 173.45 2ka7 s VAL 13 N -2.27 1.76 -0.45 -0.66 1.01 0.09 -3.12 120.40 116.75 2ka7 s VAL 13 Ca 0.36 -2.16 0.06 0.00 0.00 0.00 0.00 61.98 60.24 2ka7 s VAL 13 Cb -0.06 -2.42 0.20 0.00 0.00 0.00 0.00 36.38 34.10 2ka7 s VAL 13 CO 0.24 -0.32 0.58 -1.20 0.00 0.00 0.00 175.10 174.39 2ka7 n SER 14 N -0.59 -1.72 -4.56 3.32 7.64 0.96 -3.90 113.62 114.78 2ka7 n SER 14 Ca -0.06 -2.74 -0.34 0.00 1.01 0.00 0.00 58.87 56.75 2ka7 n SER 14 Cb 0.63 0.54 -0.04 0.00 -1.01 0.00 0.00 64.21 64.33 2ka7 n SER 14 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 15 N 0.22 3.52 -0.02 0.44 1.01 -0.01 -1.42 121.20 124.94 2ka7 s ILE 15 Ca 0.32 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.68 2ka7 s ILE 15 Cb 0.07 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 38.25 2ka7 s ILE 15 CO -0.14 -1.18 0.55 1.05 0.00 0.00 0.00 174.94 175.22 2ka7 h GLU 16 N 11.96 -0.31 0.00 2.79 4.11 -1.71 0.12 114.58 131.54 2ka7 h GLU 16 Ca -0.02 0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ka7 h GLU 16 Cb 1.05 0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2ka7 h GLU 16 CO 1.25 -0.20 0.00 -3.47 0.07 0.00 0.00 179.01 176.66 2ka7 n ASP 17 N -3.74 0.00 -0.02 3.06 -0.08 -1.26 -0.79 116.55 113.73 2ka7 n ASP 17 Ca -0.04 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 2ka7 n ASP 17 Cb 0.13 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.59 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2ka7 n LYS 18 N -0.35 0.63 -4.92 -0.67 4.76 -1.26 -4.82 118.16 111.53 2ka7 n LYS 18 Ca 0.00 -0.43 -0.32 0.00 -2.87 0.00 0.00 58.31 54.69 2ka7 n LYS 18 Cb 0.00 -0.92 -0.14 0.00 -1.84 0.00 0.00 35.03 32.14 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2ka7 s VAL 19 N -0.25 2.72 0.27 -0.18 1.01 -1.26 -1.13 120.40 121.59 2ka7 s VAL 19 Ca 0.01 -0.96 0.06 0.00 0.00 0.00 0.00 61.98 61.08 2ka7 s VAL 19 Cb 0.01 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 2ka7 s VAL 19 CO 0.01 0.51 0.33 0.00 0.00 0.00 0.00 175.10 175.95 2ka7 s ALA 20 N -0.76 3.90 0.08 5.51 0.00 0.18 -2.17 121.76 128.49 2ka7 s ALA 20 Ca 0.12 -1.38 0.06 0.00 0.00 0.00 0.00 51.96 50.76 2ka7 s ALA 20 Cb -0.10 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2ka7 s ALA 20 CO 0.02 0.16 -0.06 0.99 0.00 0.00 0.00 175.76 176.86 2ka7 s THR 21 N -2.10 3.63 0.04 0.00 2.01 -0.51 -1.93 115.64 116.78 2ka7 s THR 21 Ca 0.37 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 61.33 2ka7 s THR 21 Cb -0.08 -2.69 -0.03 0.00 0.01 0.00 0.00 72.50 69.70 2ka7 s THR 21 CO 0.28 0.16 -0.11 0.54 -0.69 0.00 0.00 174.62 174.81 2ka7 s VAL 22 N -1.21 3.33 0.26 3.82 0.11 0.26 -0.03 120.40 126.95 2ka7 s VAL 22 Ca 0.22 -1.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.07 2ka7 s VAL 22 Cb -0.11 -2.46 0.01 0.00 -1.53 0.00 0.00 36.38 32.29 2ka7 s VAL 22 CO 0.14 0.31 0.64 -0.83 -3.33 0.00 0.00 175.10 172.03 2ka7 s GLY 23 N -1.61 0.07 0.53 6.54 0.00 -1.18 0.03 107.32 111.69 2ka7 s GLY 23 Ca 0.17 -0.44 -0.12 0.00 0.00 0.00 0.00 44.72 44.33 2ka7 s GLY 23 CO 0.08 -0.24 0.95 -0.26 0.00 0.00 0.00 173.10 173.63 2ka7 s ILE 24 N -3.94 4.68 0.78 0.90 -4.36 -1.26 -1.19 121.20 116.80 2ka7 s ILE 24 Ca 0.14 0.89 -0.12 0.00 -0.26 0.00 0.00 60.65 61.31 2ka7 s ILE 24 Cb -0.04 -3.79 0.06 0.00 1.25 0.00 0.00 42.46 39.93 2ka7 s ILE 24 CO 0.06 -0.85 1.12 0.42 0.24 0.00 0.00 174.94 175.93 2ka7 s THR 25 N -2.81 2.89 0.44 8.37 -4.23 -0.47 -4.54 115.64 115.28 2ka7 s THR 25 Ca 0.55 0.29 0.26 0.00 -1.18 0.00 0.00 61.69 61.60 2ka7 s THR 25 Cb -0.10 -3.19 0.28 0.00 1.34 0.00 0.00 72.50 70.83 2ka7 s THR 25 CO 0.41 -0.38 2.08 -1.13 -0.54 0.00 0.00 174.62 175.07 2ka7 h ASN 26 N -0.95 0.00 -0.63 3.99 -1.24 -1.91 0.09 115.58 114.93 2ka7 h ASN 26 Ca -0.46 0.00 0.13 0.00 0.71 0.00 0.00 56.30 56.68 2ka7 h ASN 26 Cb 1.28 0.00 -0.10 0.00 0.73 0.00 0.00 38.32 40.23 2ka7 h ASN 26 CO 0.63 0.12 0.02 -0.74 -1.29 0.00 0.00 177.43 176.17 2ka7 h HIS 27 N 0.00 -0.00 -0.37 0.67 -0.00 -1.94 -3.08 115.15 110.43 2ka7 h HIS 27 Ca -0.00 0.05 -0.09 0.00 -0.00 0.00 0.00 60.37 60.33 2ka7 h HIS 27 Cb 0.30 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 2ka7 h HIS 27 CO 0.00 -0.15 -0.11 0.00 -0.00 0.00 0.00 177.93 177.66 2ka7 h ALA 28 N 1.57 0.51 0.00 5.26 0.00 -1.26 -2.40 119.26 122.95 2ka7 h ALA 28 Ca 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2ka7 h ALA 28 Cb 0.54 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ka7 h ALA 28 CO -0.53 0.39 -0.04 -0.56 0.00 0.00 0.00 179.25 178.51 2ka7 h GLN 29 N 0.53 0.00 0.00 0.00 -0.00 -1.57 -2.15 115.11 111.92 2ka7 h GLN 29 Ca 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.73 2ka7 h GLN 29 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.11 2ka7 h GLN 29 CO 0.04 0.04 -0.08 1.49 -0.00 0.00 0.00 178.83 180.33 2ka7 h GLU 30 N 0.00 0.00 0.02 0.06 4.22 -1.34 -0.10 114.58 117.44 2ka7 h GLU 30 Ca -0.00 0.00 -0.39 0.00 0.08 0.00 0.00 59.36 59.05 2ka7 h GLU 30 Cb 0.15 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.34 2ka7 h GLU 30 CO 0.01 0.08 -2.39 1.04 -2.18 0.00 0.00 179.01 175.56 2ka7 n GLN 31 N -3.60 0.66 0.07 1.92 6.02 -0.81 -4.51 117.38 117.11 2ka7 n GLN 31 Ca -0.02 0.18 -0.03 0.00 -0.01 0.00 0.00 57.00 57.13 2ka7 n GLN 31 Cb 0.19 -1.55 -0.07 0.00 1.02 0.00 0.00 30.24 29.83 2ka7 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2ka7 h LEU 32 N -0.10 0.00 0.00 1.08 3.38 -1.53 -3.49 115.31 114.65 2ka7 h LEU 32 Ca -0.56 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.41 2ka7 h LEU 32 Cb 1.89 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.64 2ka7 h LEU 32 CO -0.10 0.76 0.00 0.61 0.09 0.00 0.00 178.44 179.80 2ka7 n GLY 33 N 1.35 2.69 3.64 0.83 0.00 -0.05 -4.52 105.19 109.13 2ka7 n GLY 33 Ca -0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2ka7 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka7 s ASP 34 N -4.00 6.28 0.67 1.61 1.01 -1.26 -4.85 116.67 116.13 2ka7 s ASP 34 Ca 0.00 2.32 -0.01 0.00 0.71 0.00 0.00 52.55 55.57 2ka7 s ASP 34 Cb 0.00 -2.53 0.03 0.00 1.01 0.00 0.00 42.92 41.44 2ka7 s ASP 34 CO 0.00 -1.24 0.22 0.52 0.21 0.00 0.00 175.17 174.88 2ka7 n VAL 35 N 6.08 0.00 0.00 -1.27 0.31 -1.26 -3.45 118.33 118.74 2ka7 n VAL 35 Ca 0.21 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2ka7 n VAL 35 Cb 0.43 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2ka7 n VAL 35 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ka7 n VAL 36 N -1.94 0.00 -3.58 2.52 0.24 -1.25 -4.71 118.33 109.62 2ka7 n VAL 36 Ca 0.03 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.20 2ka7 n VAL 36 Cb 0.11 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.43 2ka7 n VAL 36 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 2ka7 s TYR 37 N -1.00 -0.37 -0.02 6.34 5.04 -1.09 -4.83 117.35 121.42 2ka7 s TYR 37 Ca 0.00 0.29 -0.01 0.00 -2.44 0.00 0.00 57.07 54.91 2ka7 s TYR 37 Cb 0.00 0.34 0.01 0.00 0.35 0.00 0.00 41.96 42.66 2ka7 s TYR 37 CO 0.00 -0.67 0.06 0.14 -1.34 0.00 0.00 175.55 173.73 2ka7 s VAL 38 N -2.93 -0.02 0.06 3.14 -7.23 -1.26 -2.98 120.40 109.18 2ka7 s VAL 38 Ca -0.03 0.07 -0.09 0.00 -1.81 0.00 0.00 61.98 60.12 2ka7 s VAL 38 Cb -0.00 -0.10 -0.05 0.00 0.56 0.00 0.00 36.38 36.79 2ka7 s VAL 38 CO -0.06 0.03 0.37 -0.62 -0.31 0.00 0.00 175.10 174.51 2ka7 s ASP 39 N 0.38 6.61 0.04 4.85 2.15 0.20 -4.75 116.67 126.15 2ka7 s ASP 39 Ca -0.03 0.74 0.00 0.00 0.43 0.00 0.00 52.55 53.69 2ka7 s ASP 39 Cb -0.04 -2.16 -0.03 0.00 -0.30 0.00 0.00 42.92 40.39 2ka7 s ASP 39 CO -0.01 0.20 -0.04 -0.76 -0.17 0.00 0.00 175.17 174.39 2ka7 s LEU 40 N -1.83 2.36 0.00 -1.34 2.01 -1.26 -3.48 118.68 115.15 2ka7 s LEU 40 Ca 0.31 -0.73 -0.02 0.00 0.01 0.00 0.00 54.13 53.69 2ka7 s LEU 40 Cb -0.14 0.06 0.04 0.00 0.01 0.00 0.00 46.19 46.16 2ka7 s LEU 40 CO 0.17 -0.40 0.15 -0.81 1.01 0.00 0.00 176.35 176.47 2ka7 n PRO 41 N 0.89 -0.97 -4.14 1.29 -0.04 -0.84 -4.89 135.00 126.31 2ka7 n PRO 41 Ca -0.19 -0.23 -0.23 0.00 -0.04 0.00 0.00 63.50 62.80 2ka7 n PRO 41 Cb 0.58 -0.20 -0.05 0.00 -0.04 0.00 0.00 33.50 33.79 2ka7 n PRO 41 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2ka7 s GLU 42 N -3.33 2.80 0.00 0.54 -6.30 -1.26 -4.95 118.70 106.20 2ka7 s GLU 42 Ca 0.09 -1.05 0.01 0.00 -2.50 0.00 0.00 54.97 51.52 2ka7 s GLU 42 Cb -0.01 -2.52 0.08 0.00 0.00 0.00 0.00 34.13 31.68 2ka7 s GLU 42 CO 0.07 0.42 0.79 1.55 0.02 0.00 0.00 175.26 178.11 2ka7 n VAL 43 N -0.85 0.00 -1.39 3.70 3.14 -1.26 -1.81 118.33 119.86 2ka7 n VAL 43 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2ka7 n VAL 43 Cb 0.57 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.18 2ka7 n VAL 43 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ka7 n GLY 44 N 0.24 -1.52 3.69 7.55 0.00 -1.05 -3.93 105.19 110.17 2ka7 n GLY 44 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2ka7 n GLY 44 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2ka7 s ARG 45 N 0.00 4.27 0.38 1.61 3.52 -0.75 -4.77 118.95 123.20 2ka7 s ARG 45 Ca 0.00 2.05 -0.24 0.00 -0.13 0.00 0.00 55.73 57.40 2ka7 s ARG 45 Cb 0.00 -3.56 -0.09 0.00 -1.56 0.00 0.00 34.95 29.73 2ka7 s ARG 45 CO 0.00 -0.60 1.03 -1.21 -0.81 0.00 0.00 175.30 173.71 2ka7 s GLU 46 N 2.39 4.26 0.11 5.12 2.02 -1.26 -0.37 118.70 130.97 2ka7 s GLU 46 Ca 0.66 1.48 -0.04 0.00 0.02 0.00 0.00 54.97 57.09 2ka7 s GLU 46 Cb -0.33 -2.60 -0.03 0.00 0.10 0.00 0.00 34.13 31.27 2ka7 s GLU 46 CO 0.28 -0.05 0.09 0.14 0.02 0.00 0.00 175.26 175.74 2ka7 s VAL 47 N -1.65 0.13 0.40 2.63 -7.23 0.27 -4.92 120.40 110.03 2ka7 s VAL 47 Ca 0.56 -1.68 0.08 0.00 -1.81 0.00 0.00 61.98 59.12 2ka7 s VAL 47 Cb -0.21 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2ka7 s VAL 47 CO 0.27 -0.61 0.23 -0.54 -0.31 0.00 0.00 175.10 174.14 2ka7 s LYS 48 N -3.97 2.33 0.00 4.82 1.02 -1.26 -1.40 119.74 121.28 2ka7 s LYS 48 Ca 0.15 -1.72 0.00 0.00 0.02 0.00 0.00 55.97 54.43 2ka7 s LYS 48 Cb 0.06 -2.12 0.00 0.00 -0.52 0.00 0.00 37.83 35.26 2ka7 s LYS 48 CO -0.04 -0.10 0.00 1.17 -0.92 0.00 0.00 175.35 175.46 2ka7 n LYS 49 N -1.31 0.00 -0.60 1.68 4.81 -0.86 -2.52 118.16 119.36 2ka7 n LYS 49 Ca -0.00 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.42 2ka7 n LYS 49 Cb 0.63 -0.95 -0.02 0.00 0.02 0.00 0.00 35.03 34.71 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka7 n GLY 50 N 0.25 0.64 3.79 3.14 0.00 -1.10 -4.65 105.19 107.27 2ka7 n GLY 50 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2ka7 n GLY 50 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ka7 s GLU 51 N 0.00 3.15 0.00 1.61 8.01 -1.05 -4.62 118.70 125.81 2ka7 s GLU 51 Ca 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 54.97 54.58 2ka7 s GLU 51 Cb 0.00 -2.92 0.00 0.00 -4.31 0.00 0.00 34.13 26.90 2ka7 s GLU 51 CO 0.00 0.68 1.60 0.28 0.01 0.00 0.00 175.26 177.82 2ka7 n VAL 52 N 1.42 1.60 1.76 2.63 0.31 -1.25 -1.07 118.33 123.72 2ka7 n VAL 52 Ca -0.15 -0.36 0.08 0.00 -0.01 0.00 0.00 64.34 63.91 2ka7 n VAL 52 Cb 0.53 -1.35 0.48 0.00 -0.91 0.00 0.00 33.84 32.60 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 2ka7 n VAL 53 N 1.37 0.00 -2.80 2.52 0.24 -1.22 -3.99 118.33 114.44 2ka7 n VAL 53 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2ka7 n VAL 53 Cb 0.44 -0.35 0.06 0.00 -1.47 0.00 0.00 33.84 32.52 2ka7 n VAL 53 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ka7 n ALA 54 N -0.79 1.33 -0.67 2.33 0.00 -1.26 -1.99 120.51 119.46 2ka7 n ALA 54 Ca 0.12 -2.19 -0.29 0.00 0.00 0.00 0.00 53.44 51.07 2ka7 n ALA 54 Cb 0.06 -1.02 0.21 0.00 0.00 0.00 0.00 19.45 18.70 2ka7 n ALA 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ka7 s SER 55 N -1.91 1.93 -0.28 0.00 0.01 -1.23 -3.59 113.70 108.63 2ka7 s SER 55 Ca 0.27 1.76 -0.03 0.00 1.31 0.00 0.00 55.95 59.25 2ka7 s SER 55 Cb 0.37 -2.39 0.11 0.00 0.21 0.00 0.00 66.02 64.32 2ka7 s SER 55 CO -0.05 -3.65 0.17 -0.63 0.41 0.00 0.00 173.24 169.49 2ka7 s ILE 56 N -2.58 -0.15 -0.12 1.44 1.01 -0.19 -0.63 121.20 119.98 2ka7 s ILE 56 Ca 0.67 -0.67 -0.26 0.00 0.00 0.00 0.00 60.65 60.40 2ka7 s ILE 56 Cb -0.23 -0.96 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 2ka7 s ILE 56 CO 0.61 -0.65 0.83 -1.61 0.00 0.00 0.00 174.94 174.13 2ka7 s GLU 57 N 2.16 4.37 0.28 2.79 2.02 -1.16 -1.40 118.70 127.77 2ka7 s GLU 57 Ca 0.09 1.06 0.04 0.00 0.02 0.00 0.00 54.97 56.18 2ka7 s GLU 57 Cb -0.16 -3.53 0.04 0.00 0.10 0.00 0.00 34.13 30.58 2ka7 s GLU 57 CO -0.35 -0.21 0.32 -1.13 0.02 0.00 0.00 175.26 173.92 2ka7 n SER 58 N 4.75 1.36 -0.22 -0.19 3.41 0.55 -2.67 113.62 120.61 2ka7 n SER 58 Ca 0.04 -1.83 0.26 0.00 -0.26 0.00 0.00 58.87 57.07 2ka7 n SER 58 Cb 0.50 -0.14 0.64 0.00 -0.26 0.00 0.00 64.21 64.95 2ka7 n SER 58 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2ka7 h VAL 59 N 0.26 0.57 -0.04 -3.33 -1.51 -1.83 -3.27 116.25 107.10 2ka7 h VAL 59 Ca -0.15 -0.05 -0.17 0.00 -1.23 0.00 0.00 66.70 65.10 2ka7 h VAL 59 Cb 0.62 0.40 -0.17 0.00 -2.13 0.00 0.00 31.29 30.01 2ka7 h VAL 59 CO 0.22 0.03 -0.37 1.17 -1.23 0.00 0.00 177.57 177.39 2ka7 n LYS 60 N -4.37 1.09 -4.01 5.19 3.00 -1.26 -5.14 118.16 112.66 2ka7 n LYS 60 Ca 0.20 -1.39 -0.10 0.00 -0.00 0.00 0.00 58.31 57.03 2ka7 n LYS 60 Cb 0.90 0.25 -0.05 0.00 0.00 0.00 0.00 35.03 36.13 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2ka7 s ALA 61 N -0.25 -0.11 -0.08 3.14 0.00 -1.24 -5.16 121.76 118.07 2ka7 s ALA 61 Ca 0.09 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 51.09 2ka7 s ALA 61 Cb 0.35 1.09 0.02 0.00 0.00 0.00 0.00 23.12 24.58 2ka7 s ALA 61 CO -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 175.76 174.78 2ka7 s ALA 62 N -3.95 0.98 0.07 0.00 0.00 -1.26 -0.33 121.76 117.28 2ka7 s ALA 62 Ca 0.24 -0.30 -0.13 0.00 0.00 0.00 0.00 51.96 51.77 2ka7 s ALA 62 Cb -0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 23.12 22.31 2ka7 s ALA 62 CO 0.10 -0.32 0.45 0.00 0.00 0.00 0.00 175.76 175.98 2ka7 s ALA 63 N 1.59 3.68 -0.30 0.00 0.00 -0.49 -4.97 121.76 121.26 2ka7 s ALA 63 Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 51.61 2ka7 s ALA 63 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.59 2ka7 s ALA 63 CO -0.05 0.51 0.17 -0.51 0.00 0.00 0.00 175.76 175.88 2ka7 s ASP 64 N -1.54 5.72 -0.19 0.00 1.01 -1.26 -1.02 116.67 119.38 2ka7 s ASP 64 Ca 0.32 -0.34 -0.29 0.00 0.71 0.00 0.00 52.55 52.95 2ka7 s ASP 64 Cb -0.15 -2.05 -0.01 0.00 1.01 0.00 0.00 42.92 41.72 2ka7 s ASP 64 CO 0.17 -0.15 1.22 -0.69 0.21 0.00 0.00 175.17 175.93 2ka7 s VAL 65 N 1.67 4.36 -0.56 -1.27 1.01 -1.24 -4.97 120.40 119.40 2ka7 s VAL 65 Ca 0.06 1.63 -0.12 0.00 0.00 0.00 0.00 61.98 63.55 2ka7 s VAL 65 Cb -0.17 -4.08 0.14 0.00 0.00 0.00 0.00 36.38 32.27 2ka7 s VAL 65 CO 0.08 -0.17 0.48 -0.31 0.00 0.00 0.00 175.10 175.17 2ka7 s TYR 66 N 3.50 3.41 0.46 5.22 1.51 -1.26 -3.44 117.35 126.75 2ka7 s TYR 66 Ca 0.52 -1.71 -0.20 0.00 -1.01 0.00 0.00 57.07 54.68 2ka7 s TYR 66 Cb -0.20 -3.65 -0.14 0.00 -0.11 0.00 0.00 41.96 37.85 2ka7 s TYR 66 CO 0.13 -1.00 0.11 0.00 -1.11 0.00 0.00 175.55 173.69 2ka7 n ALA 67 N 4.82 -2.67 0.06 3.71 0.00 -0.23 -4.34 120.51 121.86 2ka7 n ALA 67 Ca -0.06 0.05 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 2ka7 n ALA 67 Cb 0.41 -1.52 -0.13 0.00 0.00 0.00 0.00 19.45 18.21 2ka7 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2ka7 h PRO 68 N 0.26 0.13 -5.25 0.00 0.13 -1.84 -2.92 132.00 122.51 2ka7 h PRO 68 Ca -0.40 -0.22 -0.48 0.00 -0.87 0.00 0.00 66.00 64.03 2ka7 h PRO 68 Cb 1.44 0.08 -0.14 0.00 0.13 0.00 0.00 31.00 32.51 2ka7 h PRO 68 CO 0.46 1.03 -0.61 -0.51 -0.23 0.00 0.00 178.00 178.14 2ka7 s LEU 69 N -6.82 2.22 0.46 1.56 2.01 -1.26 -4.79 118.68 112.06 2ka7 s LEU 69 Ca -0.03 -1.39 -0.08 0.00 0.01 0.00 0.00 54.13 52.64 2ka7 s LEU 69 Cb 0.08 -0.41 -0.05 0.00 0.01 0.00 0.00 46.19 45.82 2ka7 s LEU 69 CO 0.84 -0.61 0.80 -0.44 1.01 0.00 0.00 176.35 177.96 2ka7 s SER 70 N -3.51 6.38 0.00 2.29 0.01 -1.26 -2.04 113.70 115.57 2ka7 s SER 70 Ca 0.36 1.07 0.00 0.00 1.31 0.00 0.00 55.95 58.69 2ka7 s SER 70 Cb 0.09 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2ka7 s SER 70 CO 0.16 -0.52 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2ka7 n GLY 71 N -1.86 -0.35 2.93 3.44 0.00 -0.49 -4.19 105.19 104.67 2ka7 n GLY 71 Ca 0.02 -1.42 -0.24 0.00 0.00 0.00 0.00 46.02 44.38 2ka7 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ka7 s LYS 72 N -2.00 1.36 0.36 1.61 2.20 -0.98 -0.57 119.74 121.72 2ka7 s LYS 72 Ca 0.00 -0.25 -0.28 0.00 -0.36 0.00 0.00 55.97 55.08 2ka7 s LYS 72 Cb 0.00 -1.30 -0.11 0.00 -1.51 0.00 0.00 37.83 34.91 2ka7 s LYS 72 CO 0.00 -0.12 1.41 0.42 -0.36 0.00 0.00 175.35 176.69 2ka7 s ILE 73 N 1.18 2.34 0.00 5.43 -1.09 0.51 -0.30 121.20 129.27 2ka7 s ILE 73 Ca -0.06 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 2ka7 s ILE 73 Cb -0.14 -3.22 0.00 0.00 -1.58 0.00 0.00 42.46 37.52 2ka7 s ILE 73 CO -0.02 0.08 0.18 1.33 -1.23 0.00 0.00 174.94 175.28 2ka7 n VAL 74 N 0.59 0.00 -3.49 2.92 0.24 -0.69 -2.54 118.33 115.36 2ka7 n VAL 74 Ca 0.01 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.15 2ka7 n VAL 74 Cb 0.40 0.68 -0.05 0.00 -1.47 0.00 0.00 33.84 33.41 2ka7 n VAL 74 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 2ka7 s GLU 75 N 0.00 1.14 0.26 7.34 2.12 -1.14 -4.95 118.70 123.48 2ka7 s GLU 75 Ca 0.00 -0.03 0.01 0.00 0.36 0.00 0.00 54.97 55.30 2ka7 s GLU 75 Cb 0.00 0.53 -0.03 0.00 0.26 0.00 0.00 34.13 34.89 2ka7 s GLU 75 CO 0.00 -0.42 0.25 0.14 -0.54 0.00 0.00 175.26 174.69 2ka7 s VAL 76 N -2.19 0.00 -0.66 3.70 -7.23 -1.26 -0.37 120.40 112.38 2ka7 s VAL 76 Ca -0.06 -1.91 0.03 0.00 -1.81 0.00 0.00 61.98 58.23 2ka7 s VAL 76 Cb -0.00 -2.49 0.16 0.00 0.56 0.00 0.00 36.38 34.61 2ka7 s VAL 76 CO 0.01 0.00 0.45 0.21 -0.31 0.00 0.00 175.10 175.46 2ka7 s ASN 77 N -3.23 4.83 0.37 4.85 2.47 -1.04 -4.92 114.94 118.28 2ka7 s ASN 77 Ca 0.37 -3.51 0.22 0.00 0.42 0.00 0.00 52.86 50.37 2ka7 s ASN 77 Cb 0.04 -1.69 1.21 0.00 -1.45 0.00 0.00 41.25 39.37 2ka7 s ASN 77 CO 0.18 -0.16 1.66 -0.33 -3.72 0.00 0.00 177.10 174.73 2ka7 h GLU 78 N 5.93 0.00 -0.95 0.43 5.08 -1.97 -0.83 114.58 122.28 2ka7 h GLU 78 Ca 0.06 0.00 0.13 0.00 -1.00 0.00 0.00 59.36 58.55 2ka7 h GLU 78 Cb 0.82 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.99 2ka7 h GLU 78 CO 0.72 0.00 0.60 0.87 -1.00 0.00 0.00 179.01 180.21 2ka7 h LYS 79 N 0.00 0.84 0.00 2.33 1.57 -1.96 -1.71 116.57 117.64 2ka7 h LYS 79 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2ka7 h LYS 79 Cb 0.16 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2ka7 h LYS 79 CO 0.00 0.55 0.00 -0.07 -0.57 0.00 0.00 179.45 179.36 2ka7 h LEU 80 N 0.86 0.00 -1.47 2.94 -0.00 -1.35 0.46 115.31 116.76 2ka7 h LEU 80 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 2ka7 h LEU 80 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.23 2ka7 h LEU 80 CO -0.23 0.00 0.00 -0.78 -0.00 0.00 0.00 178.44 177.43 2ka7 h ASP 81 N 0.00 0.00 0.00 -0.43 3.58 -1.46 -2.80 116.42 115.31 2ka7 h ASP 81 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2ka7 h ASP 81 Cb 0.57 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.62 2ka7 h ASP 81 CO 0.00 0.00 -0.40 0.35 -2.88 0.00 0.00 179.24 176.31 2ka7 n THR 82 N -2.91 0.00 -3.37 2.25 -2.24 -0.80 -4.77 114.28 102.44 2ka7 n THR 82 Ca 0.00 -0.11 -0.26 0.00 -2.27 0.00 0.00 64.05 61.42 2ka7 n THR 82 Cb 0.26 0.56 -0.08 0.00 -2.10 0.00 0.00 70.33 68.97 2ka7 n THR 82 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2ka7 n GLU 83 N -0.82 1.56 0.26 -0.78 -0.58 0.09 -4.93 120.64 115.44 2ka7 n GLU 83 Ca 0.00 -3.96 0.14 0.00 -0.42 0.00 0.00 57.16 52.92 2ka7 n GLU 83 Cb 0.00 -1.79 0.70 0.00 -0.57 0.00 0.00 31.44 29.77 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 2ka7 h PRO 84 N 4.32 0.00 0.00 3.49 0.13 -1.73 -1.57 132.00 136.64 2ka7 h PRO 84 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2ka7 h PRO 84 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 2ka7 h PRO 84 CO 0.64 0.10 0.00 -0.85 -0.23 0.00 0.00 178.00 177.66 2ka7 n GLU 85 N -3.36 0.02 0.25 0.86 0.28 -1.26 -3.69 120.64 113.73 2ka7 n GLU 85 Ca -0.01 0.18 0.17 0.00 -0.16 0.00 0.00 57.16 57.34 2ka7 n GLU 85 Cb 0.29 -1.50 0.82 0.00 1.43 0.00 0.00 31.44 32.48 2ka7 n GLU 85 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 2ka7 h LEU 86 N 0.00 0.00 -1.88 -1.84 6.46 -1.68 0.17 115.31 116.54 2ka7 h LEU 86 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 2ka7 h LEU 86 Cb 0.31 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 2ka7 h LEU 86 CO 0.00 0.00 -0.00 0.40 -0.62 0.00 0.00 178.44 178.22 2ka7 h ILE 87 N 0.00 1.04 -0.08 4.05 2.04 -1.79 0.80 117.51 123.56 2ka7 h ILE 87 Ca 0.00 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.69 2ka7 h ILE 87 Cb 0.19 1.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.26 2ka7 h ILE 87 CO 0.00 0.05 -0.07 0.78 0.00 0.00 0.00 178.15 178.90 2ka7 h ASN 88 N 0.07 0.21 0.89 1.72 2.35 -0.94 -3.25 115.58 116.62 2ka7 h ASN 88 Ca 0.02 -0.47 -0.23 0.00 -0.55 0.00 0.00 56.30 55.07 2ka7 h ASN 88 Cb 0.05 -0.06 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 2ka7 h ASN 88 CO 0.00 0.63 -1.16 0.11 -1.65 0.00 0.00 177.43 175.36 2ka7 h LYS 89 N -0.22 0.00 0.00 0.81 1.79 -1.23 -3.40 116.57 114.32 2ka7 h LYS 89 Ca 0.01 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.26 2ka7 h LYS 89 Cb 0.57 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.07 2ka7 h LYS 89 CO 0.02 0.87 -0.46 -3.47 -1.08 0.00 0.00 179.45 175.33 2ka7 n ASP 90 N -3.28 -2.63 0.33 0.86 2.03 0.17 -5.04 116.55 108.99 2ka7 n ASP 90 Ca -0.04 -3.50 0.21 0.00 0.52 0.00 0.00 54.79 51.98 2ka7 n ASP 90 Cb 0.96 1.89 1.12 0.00 -0.72 0.00 0.00 41.12 44.37 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2ka7 h PRO 91 N 3.50 0.00 -0.01 -0.67 0.13 -1.66 0.70 132.00 133.99 2ka7 h PRO 91 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 2ka7 h PRO 91 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ka7 h PRO 91 CO 0.23 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 178.35 2ka7 n GLU 92 N -2.99 0.66 0.00 0.86 4.71 -1.26 -4.07 120.64 118.55 2ka7 n GLU 92 Ca -0.03 -0.71 0.00 0.00 -0.01 0.00 0.00 57.16 56.41 2ka7 n GLU 92 Cb 0.11 -1.05 0.00 0.00 -1.01 0.00 0.00 31.44 29.49 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ka7 n GLY 93 N 0.45 -0.05 0.07 0.62 0.00 -0.77 -4.94 105.19 100.57 2ka7 n GLY 93 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 2ka7 n GLY 93 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 94 N -0.72 0.67 -0.60 1.61 -0.58 -1.05 -4.39 120.64 115.59 2ka7 n GLU 94 Ca 0.00 -0.03 -0.04 0.00 -0.42 0.00 0.00 57.16 56.67 2ka7 n GLU 94 Cb 0.00 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2ka7 n GLY 95 N 1.56 2.85 3.78 0.62 0.00 0.17 -4.90 105.19 109.27 2ka7 n GLY 95 Ca -0.21 -0.26 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 2ka7 n GLY 95 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2ka7 s TRP 96 N -0.35 2.71 -0.03 1.61 1.48 -1.26 -4.56 118.94 118.53 2ka7 s TRP 96 Ca 0.08 1.17 -0.04 0.00 -1.06 0.00 0.00 56.10 56.25 2ka7 s TRP 96 Cb 0.06 -3.14 -0.01 0.00 -1.16 0.00 0.00 33.47 29.22 2ka7 s TRP 96 CO -0.00 -1.93 -0.08 1.28 -4.06 0.00 0.00 176.95 172.16 2ka7 n LEU 97 N -3.54 0.59 0.00 -4.66 4.77 0.10 -4.80 117.00 109.46 2ka7 n LEU 97 Ca 0.07 0.09 -0.16 0.00 -0.03 0.00 0.00 56.01 55.98 2ka7 n LEU 97 Cb 0.56 -0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.15 2ka7 n LEU 97 CO 0.56 -0.47 -0.09 2.22 -1.33 0.00 0.00 177.39 178.28 2ka7 n PHE 98 N -3.08 -0.47 -4.14 -1.77 -1.74 -1.15 -2.49 117.46 102.62 2ka7 n PHE 98 Ca -0.03 -2.17 -0.14 0.00 -0.56 0.00 0.00 57.45 54.55 2ka7 n PHE 98 Cb 0.12 0.18 -0.11 0.00 1.52 0.00 0.00 39.48 41.20 2ka7 n PHE 98 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 2ka7 s LYS 99 N -3.10 0.75 -0.13 3.97 1.02 0.50 -0.57 119.74 122.17 2ka7 s LYS 99 Ca 0.28 -1.05 -0.12 0.00 0.02 0.00 0.00 55.97 55.10 2ka7 s LYS 99 Cb 0.01 -0.44 0.04 0.00 -0.52 0.00 0.00 37.83 36.92 2ka7 s LYS 99 CO 0.20 0.07 0.35 0.00 -0.92 0.00 0.00 175.35 175.04 2ka7 s MET 100 N -2.52 0.40 0.13 1.68 0.23 -0.81 -1.71 119.30 116.70 2ka7 s MET 100 Ca 0.01 0.51 -0.32 0.00 -1.03 0.00 0.00 55.69 54.87 2ka7 s MET 100 Cb -0.04 0.17 -0.12 0.00 -1.53 0.00 0.00 34.83 33.31 2ka7 s MET 100 CO -0.00 -0.06 1.78 -1.91 -2.03 0.00 0.00 175.02 172.79 2ka7 n GLU 101 N 3.07 2.64 -2.64 3.16 2.13 0.59 -0.64 120.64 128.94 2ka7 n GLU 101 Ca -0.14 0.96 -0.42 0.00 0.66 0.00 0.00 57.16 58.22 2ka7 n GLU 101 Cb 0.57 -2.82 -0.03 0.00 0.27 0.00 0.00 31.44 29.43 2ka7 n GLU 101 CO 0.00 0.00 0.00 0.96 -0.41 0.00 0.00 177.13 177.68 2ka7 s ILE 102 N 2.21 3.97 0.39 6.31 -4.36 -0.28 -2.31 121.20 127.13 2ka7 s ILE 102 Ca 0.81 -0.25 0.14 0.00 -0.26 0.00 0.00 60.65 61.09 2ka7 s ILE 102 Cb -0.53 -4.91 0.13 0.00 1.25 0.00 0.00 42.46 38.39 2ka7 s ILE 102 CO 0.37 -1.78 1.88 0.28 0.24 0.00 0.00 174.94 175.93 2ka7 h SER 103 N 9.77 0.00 -2.09 4.36 0.02 -1.88 -3.40 113.55 120.33 2ka7 h SER 103 Ca -0.10 0.00 -0.51 0.00 -0.84 0.00 0.00 61.79 60.34 2ka7 h SER 103 Cb 1.04 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 63.24 2ka7 h SER 103 CO 1.29 0.31 -0.89 0.47 -1.14 0.00 0.00 176.83 176.87 2ka7 n ASP 104 N -4.13 -1.05 -0.89 3.07 8.00 -1.26 -4.94 116.55 115.34 2ka7 n ASP 104 Ca -0.02 -2.48 -0.01 0.00 0.71 0.00 0.00 54.79 52.99 2ka7 n ASP 104 Cb 0.36 -0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.37 2ka7 n ASP 104 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97 2ka7 n GLU 105 N 2.84 1.17 0.06 -1.24 -0.00 -1.26 -1.70 120.64 120.50 2ka7 n GLU 105 Ca 0.28 -0.22 0.07 0.00 -0.00 0.00 0.00 57.16 57.29 2ka7 n GLU 105 Cb 0.50 -1.27 -0.06 0.00 -0.00 0.00 0.00 31.44 30.61 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2ka7 n GLY 106 N 0.25 -1.30 0.00 -1.84 0.00 -1.26 -4.54 105.19 96.49 2ka7 n GLY 106 Ca 0.03 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.93 2ka7 n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 107 N -2.68 0.25 0.31 1.61 -0.58 -0.69 -3.41 120.64 115.45 2ka7 n GLU 107 Ca -0.05 0.06 0.19 0.00 -0.42 0.00 0.00 57.16 56.95 2ka7 n GLU 107 Cb 0.66 -1.50 1.02 0.00 -0.57 0.00 0.00 31.44 31.05 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2ka7 h LEU 108 N 0.00 0.00 -0.67 -4.62 4.07 -1.80 -1.23 115.31 111.07 2ka7 h LEU 108 Ca 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 2ka7 h LEU 108 Cb 0.28 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.02 2ka7 h LEU 108 CO 0.00 0.02 -0.03 -0.33 -1.08 0.00 0.00 178.44 177.02 2ka7 h GLU 109 N 0.00 0.00 0.00 1.13 5.08 -1.92 -2.73 114.58 116.15 2ka7 h GLU 109 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ka7 h GLU 109 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ka7 h GLU 109 CO 0.00 0.03 -0.20 0.22 -1.00 0.00 0.00 179.01 178.06 2ka7 h ASP 110 N 0.00 0.00 -4.26 1.42 3.58 -1.48 -3.46 116.42 112.22 2ka7 h ASP 110 Ca -0.00 -0.05 -0.48 0.00 0.42 0.00 0.00 57.03 56.91 2ka7 h ASP 110 Cb 0.80 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.92 2ka7 h ASP 110 CO 0.00 0.03 0.35 -0.76 -2.88 0.00 0.00 179.24 175.98 2ka7 s LEU 111 N -4.76 2.91 -0.08 2.28 1.43 -1.03 -5.02 118.68 114.41 2ka7 s LEU 111 Ca 0.08 0.94 -0.30 0.00 -1.03 0.00 0.00 54.13 53.83 2ka7 s LEU 111 Cb 0.11 -3.69 -0.02 0.00 0.03 0.00 0.00 46.19 42.62 2ka7 s LEU 111 CO 0.65 -1.38 1.11 -0.76 0.23 0.00 0.00 176.35 176.20 2ka7 s LEU 112 N -5.30 4.26 1.07 1.79 2.01 -1.16 -4.94 118.68 116.42 2ka7 s LEU 112 Ca 0.58 1.68 -0.14 0.00 0.01 0.00 0.00 54.13 56.25 2ka7 s LEU 112 Cb -0.11 -3.56 0.23 0.00 0.01 0.00 0.00 46.19 42.76 2ka7 s LEU 112 CO 0.49 -0.53 1.09 -1.81 1.01 0.00 0.00 176.35 176.60 2ka7 s ASP 113 N 1.31 1.96 0.15 2.29 1.01 -1.26 -2.39 116.67 119.74 2ka7 s ASP 113 Ca 0.52 1.07 -0.12 0.00 0.71 0.00 0.00 52.55 54.73 2ka7 s ASP 113 Cb -0.21 -1.66 0.01 0.00 1.01 0.00 0.00 42.92 42.06 2ka7 s ASP 113 CO 0.20 -3.53 1.59 -0.08 0.21 0.00 0.00 175.17 173.56 2ka7 h GLU 114 N -2.17 0.86 -0.72 8.23 4.81 -1.97 0.38 114.58 124.00 2ka7 h GLU 114 Ca -0.54 -0.29 -0.03 0.00 -0.13 0.00 0.00 59.36 58.38 2ka7 h GLU 114 Cb 1.33 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 2ka7 h GLU 114 CO 0.52 0.92 0.34 0.37 -0.73 0.00 0.00 179.01 180.43 2ka7 h GLN 115 N 0.72 1.05 -0.06 1.92 4.15 -1.99 -1.03 115.11 119.86 2ka7 h GLN 115 Ca 0.13 -0.16 -0.16 0.00 0.77 0.00 0.00 58.65 59.24 2ka7 h GLN 115 Cb 0.54 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 2ka7 h GLN 115 CO 0.03 0.83 -0.66 0.00 -1.93 0.00 0.00 178.83 177.10 2ka7 h ALA 116 N 1.17 0.78 -0.13 3.38 0.00 -1.64 -0.97 119.26 121.84 2ka7 h ALA 116 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ka7 h ALA 116 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2ka7 h ALA 116 CO -0.03 0.76 0.08 -0.92 0.00 0.00 0.00 179.25 179.14 2ka7 h TYR 117 N 0.17 0.16 -0.44 0.00 3.20 -0.07 -1.01 116.97 118.99 2ka7 h TYR 117 Ca -0.01 0.00 0.07 0.00 3.14 0.00 0.00 58.73 61.93 2ka7 h TYR 117 Cb 1.18 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 39.34 2ka7 h TYR 117 CO 0.02 0.13 0.07 0.37 -1.64 0.00 0.00 178.16 177.12 2ka7 h GLN 118 N 0.15 0.20 -0.06 1.82 4.15 -0.91 0.18 115.11 120.64 2ka7 h GLN 118 Ca 0.05 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.49 2ka7 h GLN 118 Cb 0.01 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 2ka7 h GLN 118 CO -0.01 0.13 -0.36 1.49 -1.93 0.00 0.00 178.83 178.16 2ka7 h GLU 119 N 0.20 -0.45 -0.44 1.69 4.81 -0.97 0.88 114.58 120.30 2ka7 h GLU 119 Ca 0.22 0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 59.41 2ka7 h GLU 119 Cb 0.28 0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 2ka7 h GLU 119 CO -0.29 -0.30 -0.01 0.35 -0.73 0.00 0.00 179.01 178.02 2ka7 h PHE 120 N -0.47 0.78 -0.19 0.92 3.57 -0.68 -2.62 116.94 118.24 2ka7 h PHE 120 Ca 0.07 -0.11 -0.10 0.00 3.53 0.00 0.00 57.97 61.37 2ka7 h PHE 120 Cb 0.59 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 2ka7 h PHE 120 CO -0.40 0.73 -0.31 0.00 -2.23 0.00 0.00 178.31 176.10 2ka7 n ALA 122 N -2.48 2.32 1.46 0.00 0.00 0.28 -1.61 120.51 120.47 2ka7 n ALA 122 Ca -0.01 -0.13 0.14 0.00 0.00 0.00 0.00 53.44 53.44 2ka7 n ALA 122 Cb 0.43 -1.40 0.56 0.00 0.00 0.00 0.00 19.45 19.04 2ka7 n ALA 122 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ka7 n GLN 123 N -1.15 1.06 0.00 0.00 6.02 -0.90 -5.06 117.38 117.35 2ka7 n GLN 123 Ca 0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 57.00 56.64 2ka7 n GLN 123 Cb 0.14 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14