#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 -2.68 -3.79 2.12 5.02 -1.26 -5.11 118.16 112.46 2ka7 n LYS 2 Ca 0.00 2.17 -0.08 0.00 -2.02 0.00 0.00 58.31 58.39 2ka7 n LYS 2 Cb 0.00 -3.01 -0.02 0.00 -0.02 0.00 0.00 35.03 31.98 2ka7 n LYS 2 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ka7 s MET 3 N -4.23 1.68 -0.49 1.97 0.23 0.13 -5.03 119.30 113.56 2ka7 s MET 3 Ca 0.00 -0.89 0.06 0.00 -1.03 0.00 0.00 55.69 53.83 2ka7 s MET 3 Cb 0.00 0.59 0.24 0.00 -1.53 0.00 0.00 34.83 34.13 2ka7 s MET 3 CO 0.00 -0.76 0.88 1.17 -2.03 0.00 0.00 175.02 174.28 2ka7 n LYS 4 N -0.45 0.77 -2.01 3.16 4.81 -1.26 -1.10 118.16 122.09 2ka7 n LYS 4 Ca -0.06 -1.75 -0.29 0.00 -0.87 0.00 0.00 58.31 55.34 2ka7 n LYS 4 Cb 0.60 -1.47 0.16 0.00 0.02 0.00 0.00 35.03 34.34 2ka7 n LYS 4 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2ka7 s LYS 5 N 0.69 0.96 0.16 1.64 1.02 -1.23 -4.59 119.74 118.39 2ka7 s LYS 5 Ca 0.32 -0.41 0.03 0.00 0.02 0.00 0.00 55.97 55.93 2ka7 s LYS 5 Cb 0.22 -1.92 -0.05 0.00 -0.52 0.00 0.00 37.83 35.57 2ka7 s LYS 5 CO -0.24 -2.17 -0.06 0.71 -0.92 0.00 0.00 175.35 172.66 2ka7 s TYR 6 N -3.75 1.23 0.54 3.18 1.51 0.40 -0.70 117.35 119.76 2ka7 s TYR 6 Ca 0.71 -0.86 0.08 0.00 -1.01 0.00 0.00 57.07 55.99 2ka7 s TYR 6 Cb -0.05 -0.67 0.06 0.00 -0.11 0.00 0.00 41.96 41.19 2ka7 s TYR 6 CO 0.51 -0.03 0.63 0.95 -1.11 0.00 0.00 175.55 176.50 2ka7 s THR 7 N -3.46 2.11 -0.37 -0.71 -4.23 0.16 -1.40 115.64 107.74 2ka7 s THR 7 Ca 0.19 -1.17 0.15 0.00 -1.18 0.00 0.00 61.69 59.68 2ka7 s THR 7 Cb 0.04 -2.28 0.78 0.00 1.34 0.00 0.00 72.50 72.38 2ka7 s THR 7 CO 0.01 0.00 1.70 0.29 -0.54 0.00 0.00 174.62 176.08 2ka7 n LYS 8 N -2.02 4.53 -2.60 3.99 5.02 -1.26 -4.43 118.16 121.39 2ka7 n LYS 8 Ca 0.09 -3.09 -0.10 0.00 -2.02 0.00 0.00 58.31 53.19 2ka7 n LYS 8 Cb 0.62 -2.17 0.03 0.00 -0.02 0.00 0.00 35.03 33.50 2ka7 n LYS 8 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2ka7 n THR 9 N 0.57 1.54 -4.14 -0.18 -2.24 -1.26 -5.00 114.28 103.57 2ka7 n THR 9 Ca 0.27 -3.43 -0.38 0.00 -2.27 0.00 0.00 64.05 58.24 2ka7 n THR 9 Cb 1.12 0.38 -0.03 0.00 -2.10 0.00 0.00 70.33 69.70 2ka7 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ka7 n HIS 10 N -0.45 -1.39 -3.78 4.78 1.44 -1.26 -4.80 115.22 109.77 2ka7 n HIS 10 Ca 0.18 0.36 -0.13 0.00 -2.01 0.00 0.00 57.72 56.12 2ka7 n HIS 10 Cb 0.82 -2.91 -0.14 0.00 0.12 0.00 0.00 29.99 27.88 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 -7.27 0.13 0.61 -1.40 2.02 -1.26 -1.66 118.70 109.87 2ka7 s GLU 11 Ca 0.25 0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.55 2ka7 s GLU 11 Cb -0.13 -0.06 0.07 0.00 0.10 0.00 0.00 34.13 34.10 2ka7 s GLU 11 CO 0.97 -0.10 0.86 1.67 0.02 0.00 0.00 175.26 178.68 2ka7 s TRP 12 N 0.70 2.41 0.02 1.61 1.48 -1.26 -0.66 118.94 123.23 2ka7 s TRP 12 Ca -0.05 -0.10 0.00 0.00 -1.06 0.00 0.00 56.10 54.89 2ka7 s TRP 12 Cb -0.07 -2.84 -0.02 0.00 -1.16 0.00 0.00 33.47 29.39 2ka7 s TRP 12 CO -0.03 -1.18 -0.03 0.08 -4.06 0.00 0.00 176.95 171.73 2ka7 s VAL 13 N -2.90 0.14 -0.36 -0.66 1.01 0.12 -4.32 120.40 113.44 2ka7 s VAL 13 Ca 0.60 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2ka7 s VAL 13 Cb -0.09 -0.26 0.14 0.00 0.00 0.00 0.00 36.38 36.17 2ka7 s VAL 13 CO 0.41 -0.41 0.21 -0.44 0.00 0.00 0.00 175.10 174.87 2ka7 s SER 14 N -1.24 3.12 -0.54 3.32 0.01 -0.74 -3.50 113.70 114.13 2ka7 s SER 14 Ca -0.13 -2.16 -0.18 0.00 1.31 0.00 0.00 55.95 54.79 2ka7 s SER 14 Cb -0.08 -0.48 0.08 0.00 0.21 0.00 0.00 66.02 65.75 2ka7 s SER 14 CO -0.01 -0.32 0.61 -0.63 0.41 0.00 0.00 173.24 173.31 2ka7 s ILE 15 N 1.07 4.93 0.00 1.44 1.01 -0.26 -2.24 121.20 127.17 2ka7 s ILE 15 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.96 2ka7 s ILE 15 Cb -0.23 -4.35 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2ka7 s ILE 15 CO -0.03 -0.90 0.03 -1.84 0.00 0.00 0.00 174.94 172.21 2ka7 n GLU 16 N 6.01 0.00 0.00 2.79 0.28 -1.13 -0.69 120.64 127.91 2ka7 n GLU 16 Ca -0.09 0.18 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 2ka7 n GLU 16 Cb 0.43 -0.70 0.00 0.00 1.43 0.00 0.00 31.44 32.61 2ka7 n GLU 16 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ka7 n ASP 17 N -1.03 0.00 -0.04 -1.84 2.03 -1.26 -4.19 116.55 110.23 2ka7 n ASP 17 Ca 0.00 0.00 0.03 0.00 0.52 0.00 0.00 54.79 55.34 2ka7 n ASP 17 Cb 0.00 0.00 0.05 0.00 -0.72 0.00 0.00 41.12 40.45 2ka7 n ASP 17 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2ka7 n LYS 18 N -0.98 2.22 -3.87 -0.67 5.02 -1.26 -4.99 118.16 113.63 2ka7 n LYS 18 Ca 0.00 -1.83 -0.19 0.00 -2.02 0.00 0.00 58.31 54.27 2ka7 n LYS 18 Cb 0.00 -1.15 -0.17 0.00 -0.02 0.00 0.00 35.03 33.70 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ka7 s VAL 19 N -1.60 0.20 0.36 -0.18 1.01 -1.26 -1.81 120.40 117.12 2ka7 s VAL 19 Ca 0.11 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 62.14 2ka7 s VAL 19 Cb 0.10 -0.33 -0.06 0.00 0.00 0.00 0.00 36.38 36.09 2ka7 s VAL 19 CO 0.01 0.18 0.69 0.00 0.00 0.00 0.00 175.10 175.98 2ka7 s ALA 20 N 1.40 3.45 0.17 5.51 0.00 -0.08 -2.81 121.76 129.41 2ka7 s ALA 20 Ca -0.04 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.63 2ka7 s ALA 20 Cb -0.13 -2.55 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 2ka7 s ALA 20 CO -0.03 0.07 0.12 0.99 0.00 0.00 0.00 175.76 176.92 2ka7 s THR 21 N -2.27 4.36 0.01 0.00 2.01 -0.95 -1.03 115.64 117.77 2ka7 s THR 21 Ca 0.48 -1.17 0.05 0.00 0.31 0.00 0.00 61.69 61.36 2ka7 s THR 21 Cb -0.10 -3.24 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 2ka7 s THR 21 CO 0.31 -0.13 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.28 2ka7 s VAL 22 N -1.79 1.11 -0.09 3.82 1.01 -1.16 -1.79 120.40 121.51 2ka7 s VAL 22 Ca 0.31 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.54 2ka7 s VAL 22 Cb -0.10 -0.96 0.11 0.00 0.00 0.00 0.00 36.38 35.43 2ka7 s VAL 22 CO 0.23 0.17 1.13 0.61 0.00 0.00 0.00 175.10 177.24 2ka7 n GLY 23 N 2.35 0.89 0.70 4.51 0.00 -1.26 -1.99 105.19 110.38 2ka7 n GLY 23 Ca -0.16 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.85 2ka7 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ka7 n ILE 24 N -0.41 -0.15 -2.65 -0.61 -5.35 -1.26 -4.33 119.36 104.60 2ka7 n ILE 24 Ca -0.25 0.18 -0.21 0.00 -0.27 0.00 0.00 62.75 62.20 2ka7 n ILE 24 Cb 0.74 -0.28 0.04 0.00 -1.74 0.00 0.00 39.64 38.40 2ka7 n ILE 24 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 2ka7 s THR 25 N -4.37 2.62 0.33 7.28 -4.23 -0.66 -4.23 115.64 112.38 2ka7 s THR 25 Ca 0.00 -0.67 0.09 0.00 -1.18 0.00 0.00 61.69 59.93 2ka7 s THR 25 Cb 0.00 -2.95 0.07 0.00 1.34 0.00 0.00 72.50 70.96 2ka7 s THR 25 CO 0.00 0.00 1.77 -1.13 -0.54 0.00 0.00 174.62 174.72 2ka7 h ASN 26 N 0.04 0.14 -0.02 3.99 -1.24 -1.93 -1.03 115.58 115.52 2ka7 h ASN 26 Ca -0.41 -0.05 0.01 0.00 0.71 0.00 0.00 56.30 56.55 2ka7 h ASN 26 Cb 1.29 -0.04 -0.00 0.00 0.73 0.00 0.00 38.32 40.30 2ka7 h ASN 26 CO 0.51 0.51 0.03 -0.74 -1.29 0.00 0.00 177.43 176.45 2ka7 h HIS 27 N 0.12 0.00 0.07 0.67 2.76 -1.94 -2.95 115.15 113.88 2ka7 h HIS 27 Ca 0.01 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2ka7 h HIS 27 Cb 0.72 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.68 2ka7 h HIS 27 CO 0.01 0.00 -0.03 0.00 -1.30 0.00 0.00 177.93 176.60 2ka7 h ALA 28 N 1.96 -0.10 -0.26 5.26 0.00 -1.46 -3.34 119.26 121.31 2ka7 h ALA 28 Ca 0.01 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.74 2ka7 h ALA 28 Cb 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ka7 h ALA 28 CO -0.00 -0.14 0.25 -0.56 0.00 0.00 0.00 179.25 178.81 2ka7 h GLN 29 N -0.93 0.00 0.15 0.00 -0.00 -1.42 -1.82 115.11 111.08 2ka7 h GLN 29 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 58.66 2ka7 h GLN 29 Cb 0.56 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.00 2ka7 h GLN 29 CO 0.02 0.00 -0.27 0.93 -0.00 0.00 0.00 178.83 179.51 2ka7 h GLU 30 N 0.00 -0.47 -0.09 0.06 4.39 -1.64 0.28 114.58 117.11 2ka7 h GLU 30 Ca 0.13 0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 2ka7 h GLU 30 Cb 0.63 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2ka7 h GLU 30 CO -0.00 -0.32 0.04 1.96 -1.16 0.00 0.00 179.01 179.54 2ka7 h GLN 31 N -0.49 0.12 -0.44 2.33 1.08 -1.47 -2.54 115.11 113.70 2ka7 h GLN 31 Ca 0.02 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.09 2ka7 h GLN 31 Cb 0.51 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.90 2ka7 h GLN 31 CO -0.14 0.19 -0.21 -0.07 -0.95 0.00 0.00 178.83 177.66 2ka7 h LEU 32 N 0.02 0.89 0.00 1.46 -0.00 -1.60 -3.49 115.31 112.60 2ka7 h LEU 32 Ca 0.03 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2ka7 h LEU 32 Cb 0.11 -0.25 0.00 0.00 -0.00 0.00 0.00 40.66 40.52 2ka7 h LEU 32 CO -0.00 1.07 0.00 0.61 -0.00 0.00 0.00 178.44 180.12 2ka7 n GLY 33 N -0.20 3.31 3.72 0.83 0.00 0.08 -4.74 105.19 108.19 2ka7 n GLY 33 Ca 0.00 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 2ka7 n GLY 33 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ka7 s ASP 34 N -4.00 3.68 0.11 1.61 -1.08 -1.26 -4.82 116.67 110.91 2ka7 s ASP 34 Ca 0.00 2.04 0.01 0.00 -0.52 0.00 0.00 52.55 54.09 2ka7 s ASP 34 Cb 0.00 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.91 2ka7 s ASP 34 CO 0.00 -2.59 0.05 0.52 0.52 0.00 0.00 175.17 173.67 2ka7 n VAL 35 N -3.83 0.00 0.00 1.11 0.31 -1.26 -4.00 118.33 110.66 2ka7 n VAL 35 Ca 0.11 -0.69 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 2ka7 n VAL 35 Cb 0.52 0.27 0.00 0.00 -0.91 0.00 0.00 33.84 33.72 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 -0.25 0.00 -3.86 2.52 0.24 -1.24 -4.71 118.33 111.04 2ka7 n VAL 36 Ca -0.01 0.00 -0.10 0.00 -2.04 0.00 0.00 64.34 62.20 2ka7 n VAL 36 Cb 0.18 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 32.49 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 0.15 -0.23 6.34 5.04 -0.97 -4.85 117.35 121.83 2ka7 s TYR 37 Ca 0.00 -0.51 -0.10 0.00 -2.44 0.00 0.00 57.07 54.02 2ka7 s TYR 37 Cb 0.00 0.16 0.09 0.00 0.35 0.00 0.00 41.96 42.56 2ka7 s TYR 37 CO 0.00 -0.81 0.53 0.54 -1.34 0.00 0.00 175.55 174.46 2ka7 s VAL 38 N -3.92 -0.45 0.25 3.14 0.11 -1.26 -3.47 120.40 114.80 2ka7 s VAL 38 Ca 0.13 0.08 -0.30 0.00 -2.93 0.00 0.00 61.98 58.96 2ka7 s VAL 38 Cb 0.01 -0.80 -0.09 0.00 -1.53 0.00 0.00 36.38 33.97 2ka7 s VAL 38 CO -0.01 0.03 0.98 -0.62 -3.33 0.00 0.00 175.10 172.15 2ka7 s ASP 39 N 2.19 7.55 0.01 3.54 2.15 -0.08 -4.91 116.67 127.12 2ka7 s ASP 39 Ca -0.06 2.02 0.00 0.00 0.43 0.00 0.00 52.55 54.94 2ka7 s ASP 39 Cb -0.10 -2.61 -0.01 0.00 -0.30 0.00 0.00 42.92 39.90 2ka7 s ASP 39 CO -0.16 0.08 -0.03 -0.76 -0.17 0.00 0.00 175.17 174.14 2ka7 s LEU 40 N -1.28 2.12 0.98 -1.34 1.43 -1.26 -3.92 118.68 115.41 2ka7 s LEU 40 Ca 0.42 -0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.10 2ka7 s LEU 40 Cb -0.27 -0.02 0.21 0.00 0.03 0.00 0.00 46.19 46.14 2ka7 s LEU 40 CO 0.34 -0.12 1.31 -2.16 0.23 0.00 0.00 176.35 175.95 2ka7 s PRO 41 N -0.73 0.50 0.50 1.29 0.04 -1.20 -4.99 135.00 130.41 2ka7 s PRO 41 Ca -0.07 -0.40 -0.06 0.00 0.04 0.00 0.00 61.00 60.51 2ka7 s PRO 41 Cb -0.05 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.63 2ka7 s PRO 41 CO -0.00 -2.51 0.82 -2.00 0.04 0.00 0.00 177.00 173.34 2ka7 s GLU 42 N -5.87 3.49 0.00 4.56 -6.30 -1.26 -4.95 118.70 108.37 2ka7 s GLU 42 Ca 0.74 0.23 0.00 0.00 -2.50 0.00 0.00 54.97 53.44 2ka7 s GLU 42 Cb -0.04 -2.34 0.00 0.00 0.00 0.00 0.00 34.13 31.75 2ka7 s GLU 42 CO 0.53 -0.28 0.58 1.55 0.02 0.00 0.00 175.26 177.66 2ka7 n VAL 43 N -2.33 0.00 -1.76 3.70 3.14 -1.26 -2.21 118.33 117.60 2ka7 n VAL 43 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2ka7 n VAL 43 Cb 0.55 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 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 0.15 0.02 3.70 7.55 0.00 -1.09 -3.85 105.19 111.67 2ka7 n GLY 44 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.33 0.43 1.61 3.52 -0.94 -4.69 118.95 123.21 2ka7 s ARG 45 Ca 0.00 1.95 -0.23 0.00 -0.13 0.00 0.00 55.73 57.32 2ka7 s ARG 45 Cb 0.00 -3.41 -0.08 0.00 -1.56 0.00 0.00 34.95 29.90 2ka7 s ARG 45 CO 0.00 -0.45 1.10 -1.21 -0.81 0.00 0.00 175.30 173.93 2ka7 s GLU 46 N 1.63 3.98 -0.04 5.12 2.02 -1.26 -0.63 118.70 129.52 2ka7 s GLU 46 Ca 0.63 1.63 -0.08 0.00 0.02 0.00 0.00 54.97 57.17 2ka7 s GLU 46 Cb -0.33 -2.47 0.01 0.00 0.10 0.00 0.00 34.13 31.44 2ka7 s GLU 46 CO 0.28 -0.33 0.18 0.14 0.02 0.00 0.00 175.26 175.55 2ka7 s VAL 47 N -1.61 0.04 0.79 2.63 -7.23 -0.01 -4.94 120.40 110.06 2ka7 s VAL 47 Ca 0.60 -0.29 -0.10 0.00 -1.81 0.00 0.00 61.98 60.38 2ka7 s VAL 47 Cb -0.25 -0.36 0.10 0.00 0.56 0.00 0.00 36.38 36.43 2ka7 s VAL 47 CO 0.31 -0.16 1.13 -0.54 -0.31 0.00 0.00 175.10 175.52 2ka7 s LYS 48 N -0.56 1.76 0.00 4.82 1.02 -1.26 -1.05 119.74 124.46 2ka7 s LYS 48 Ca -0.07 -0.25 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2ka7 s LYS 48 Cb -0.04 -2.05 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 2ka7 s LYS 48 CO 0.01 -1.61 0.19 0.36 -0.92 0.00 0.00 175.35 173.39 2ka7 n LYS 49 N -3.21 0.22 -2.72 1.68 0.00 -1.25 -3.35 118.16 109.54 2ka7 n LYS 49 Ca 0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 58.31 58.34 2ka7 n LYS 49 Cb 0.60 -1.03 0.08 0.00 -0.00 0.00 0.00 35.03 34.68 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka7 n GLY 50 N -0.10 -0.31 2.69 2.58 0.00 -1.00 -4.36 105.19 104.68 2ka7 n GLY 50 Ca 0.00 0.35 -0.19 0.00 0.00 0.00 0.00 46.02 46.18 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 0.37 -0.06 0.00 1.61 2.02 -1.21 -4.89 118.70 116.54 2ka7 s GLU 51 Ca 0.26 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.59 2ka7 s GLU 51 Cb 0.25 -0.47 0.00 0.00 0.10 0.00 0.00 34.13 34.02 2ka7 s GLU 51 CO -0.15 -0.30 1.00 1.55 0.02 0.00 0.00 175.26 177.38 2ka7 n VAL 52 N 5.08 1.00 1.01 2.63 3.14 -1.25 -0.94 118.33 129.00 2ka7 n VAL 52 Ca -0.08 -0.18 0.03 0.00 -2.96 0.00 0.00 64.34 61.15 2ka7 n VAL 52 Cb 0.50 -1.10 0.16 0.00 -1.06 0.00 0.00 33.84 32.34 2ka7 n VAL 52 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2ka7 n VAL 53 N 1.25 0.00 -2.89 1.55 0.24 -1.16 -3.36 118.33 113.95 2ka7 n VAL 53 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2ka7 n VAL 53 Cb 0.32 -0.42 0.03 0.00 -1.47 0.00 0.00 33.84 32.30 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 -0.67 1.88 -0.61 2.33 0.00 -1.24 -3.22 120.51 118.97 2ka7 n ALA 54 Ca 0.04 -2.74 -0.30 0.00 0.00 0.00 0.00 53.44 50.43 2ka7 n ALA 54 Cb 0.02 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 18.69 2ka7 n ALA 54 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2ka7 n SER 55 N 0.08 -0.82 -3.82 0.00 7.64 -1.21 -3.76 113.62 111.73 2ka7 n SER 55 Ca 0.14 0.17 -0.27 0.00 1.01 0.00 0.00 58.87 59.92 2ka7 n SER 55 Cb 0.74 -1.34 -0.17 0.00 -1.01 0.00 0.00 64.21 62.43 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka7 s ILE 56 N -2.51 0.80 -0.21 0.44 1.01 -0.13 -0.90 121.20 119.71 2ka7 s ILE 56 Ca 0.66 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.79 2ka7 s ILE 56 Cb -0.23 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.15 2ka7 s ILE 56 CO 0.62 0.07 0.07 -1.61 0.00 0.00 0.00 174.94 174.08 2ka7 s GLU 57 N 1.77 3.86 0.00 2.79 2.02 -1.23 -0.63 118.70 127.28 2ka7 s GLU 57 Ca 0.01 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.61 2ka7 s GLU 57 Cb -0.15 -3.25 0.00 0.00 0.10 0.00 0.00 34.13 30.83 2ka7 s GLU 57 CO -0.07 0.11 0.00 0.45 0.02 0.00 0.00 175.26 175.77 2ka7 n SER 58 N 4.02 0.80 0.24 -0.19 2.88 0.55 -2.29 113.62 119.63 2ka7 n SER 58 Ca -0.16 -0.56 0.11 0.00 -1.33 0.00 0.00 58.87 56.93 2ka7 n SER 58 Cb 0.52 0.00 0.62 0.00 -0.75 0.00 0.00 64.21 64.60 2ka7 n SER 58 CO 0.00 0.00 0.00 -0.37 -1.23 0.00 0.00 175.04 173.44 2ka7 h VAL 59 N 0.22 0.60 0.00 2.46 -1.51 -1.85 -3.38 116.25 112.79 2ka7 h VAL 59 Ca 0.00 -0.78 0.00 0.00 -1.23 0.00 0.00 66.70 64.69 2ka7 h VAL 59 Cb 0.00 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.67 2ka7 h VAL 59 CO 0.00 0.17 -0.01 1.17 -1.23 0.00 0.00 177.57 177.67 2ka7 n LYS 60 N -3.57 0.00 -4.31 5.19 4.81 -1.26 -5.14 118.16 113.88 2ka7 n LYS 60 Ca -0.01 -0.06 -0.26 0.00 -0.87 0.00 0.00 58.31 57.11 2ka7 n LYS 60 Cb 0.31 -0.04 -0.09 0.00 0.02 0.00 0.00 35.03 35.23 2ka7 n LYS 60 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ka7 s ALA 61 N 0.00 2.93 -0.29 3.14 0.00 -1.26 -5.11 121.76 121.17 2ka7 s ALA 61 Ca 0.00 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 2ka7 s ALA 61 Cb 0.00 -0.68 0.11 0.00 0.00 0.00 0.00 23.12 22.55 2ka7 s ALA 61 CO 0.00 0.43 0.19 0.00 0.00 0.00 0.00 175.76 176.38 2ka7 s ALA 62 N -1.83 0.22 0.47 0.00 0.00 -1.25 -0.33 121.76 119.04 2ka7 s ALA 62 Ca 0.26 -0.80 0.02 0.00 0.00 0.00 0.00 51.96 51.44 2ka7 s ALA 62 Cb -0.08 -1.54 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 2ka7 s ALA 62 CO 0.15 -1.67 0.07 0.00 0.00 0.00 0.00 175.76 174.31 2ka7 s ALA 63 N 2.20 3.62 -0.02 0.00 0.00 0.20 -4.96 121.76 122.80 2ka7 s ALA 63 Ca 0.09 -0.66 0.05 0.00 0.00 0.00 0.00 51.96 51.44 2ka7 s ALA 63 Cb -0.15 0.38 -0.01 0.00 0.00 0.00 0.00 23.12 23.34 2ka7 s ALA 63 CO -0.35 -0.17 -0.18 -0.51 0.00 0.00 0.00 175.76 174.54 2ka7 s ASP 64 N -3.76 2.11 -0.33 0.00 1.11 -1.26 -0.95 116.67 113.59 2ka7 s ASP 64 Ca 0.12 -0.33 -0.04 0.00 0.18 0.00 0.00 52.55 52.49 2ka7 s ASP 64 Cb 0.01 -0.31 0.05 0.00 1.07 0.00 0.00 42.92 43.75 2ka7 s ASP 64 CO 0.08 0.21 0.07 -0.69 1.18 0.00 0.00 175.17 176.02 2ka7 s VAL 65 N -0.33 3.36 -0.45 -1.27 1.01 -1.25 -4.93 120.40 116.54 2ka7 s VAL 65 Ca 0.05 -1.37 -0.17 0.00 0.00 0.00 0.00 61.98 60.49 2ka7 s VAL 65 Cb -0.08 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.38 2ka7 s VAL 65 CO -0.00 -0.22 0.43 -0.31 0.00 0.00 0.00 175.10 175.00 2ka7 s TYR 66 N 1.30 3.19 0.30 5.22 2.02 -1.26 -2.98 117.35 125.14 2ka7 s TYR 66 Ca -0.02 -0.62 -0.26 0.00 -0.37 0.00 0.00 57.07 55.80 2ka7 s TYR 66 Cb -0.20 -3.03 -0.15 0.00 -0.40 0.00 0.00 41.96 38.17 2ka7 s TYR 66 CO 0.00 -0.77 0.56 0.00 -1.57 0.00 0.00 175.55 173.77 2ka7 n ALA 67 N 5.48 -2.04 0.08 3.71 0.00 -0.11 -4.59 120.51 123.04 2ka7 n ALA 67 Ca -0.10 0.31 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 2ka7 n ALA 67 Cb 0.46 -1.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.13 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 1.04 0.00 -2.63 0.00 0.13 -1.82 -2.65 132.00 126.07 2ka7 h PRO 68 Ca -0.35 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 2ka7 h PRO 68 Cb 1.41 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.33 2ka7 h PRO 68 CO 0.55 0.76 -0.13 -0.51 -0.23 0.00 0.00 178.00 178.44 2ka7 s LEU 69 N -6.54 0.26 0.09 1.56 1.43 -1.26 -4.72 118.68 109.50 2ka7 s LEU 69 Ca 0.01 0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 53.41 2ka7 s LEU 69 Cb 0.09 1.67 -0.08 0.00 0.03 0.00 0.00 46.19 47.90 2ka7 s LEU 69 CO 0.79 -0.35 1.46 -0.44 0.23 0.00 0.00 176.35 178.05 2ka7 s SER 70 N -0.57 6.76 0.00 2.29 0.01 -1.26 -3.81 113.70 117.13 2ka7 s SER 70 Ca -0.07 2.34 0.00 0.00 1.31 0.00 0.00 55.95 59.53 2ka7 s SER 70 Cb -0.03 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.62 2ka7 s SER 70 CO 0.04 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2ka7 n GLY 71 N 3.65 0.96 2.84 3.44 0.00 -0.22 -3.18 105.19 112.68 2ka7 n GLY 71 Ca 0.13 -0.78 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.96 0.42 0.49 1.61 2.20 -0.99 -0.83 119.74 121.68 2ka7 s LYS 72 Ca 0.00 0.03 -0.23 0.00 -0.36 0.00 0.00 55.97 55.40 2ka7 s LYS 72 Cb 0.00 -0.55 -0.07 0.00 -1.51 0.00 0.00 37.83 35.70 2ka7 s LYS 72 CO 0.00 -0.11 1.33 -0.89 -0.36 0.00 0.00 175.35 175.32 2ka7 n ILE 73 N 4.06 3.25 -1.35 5.43 2.08 0.20 -0.31 119.36 132.71 2ka7 n ILE 73 Ca -0.26 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.55 2ka7 n ILE 73 Cb 0.51 -1.66 0.00 0.00 -0.75 0.00 0.00 39.64 37.74 2ka7 n ILE 73 CO 0.00 0.00 0.00 1.33 0.56 0.00 0.00 176.55 178.44 2ka7 n VAL 74 N -0.66 0.00 -3.60 1.39 0.24 -0.25 -2.65 118.33 112.80 2ka7 n VAL 74 Ca 0.08 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.25 2ka7 n VAL 74 Cb 0.43 1.07 -0.05 0.00 -1.47 0.00 0.00 33.84 33.82 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 1.02 0.11 7.34 2.12 -0.97 -4.95 118.70 123.37 2ka7 s GLU 75 Ca 0.00 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 54.99 2ka7 s GLU 75 Cb 0.00 0.46 -0.04 0.00 0.26 0.00 0.00 34.13 34.81 2ka7 s GLU 75 CO 0.00 -0.38 -0.09 0.14 -0.54 0.00 0.00 175.26 174.39 2ka7 s VAL 76 N -2.78 0.97 -0.96 3.70 -7.23 -1.26 -0.43 120.40 112.40 2ka7 s VAL 76 Ca -0.03 -1.83 -0.10 0.00 -1.81 0.00 0.00 61.98 58.20 2ka7 s VAL 76 Cb -0.00 -1.57 0.25 0.00 0.56 0.00 0.00 36.38 35.61 2ka7 s VAL 76 CO -0.04 -0.68 0.92 0.21 -0.31 0.00 0.00 175.10 175.20 2ka7 s ASN 77 N -2.79 6.93 0.00 4.85 2.47 -0.57 -4.90 114.94 120.93 2ka7 s ASN 77 Ca 0.10 -3.20 0.00 0.00 0.42 0.00 0.00 52.86 50.18 2ka7 s ASN 77 Cb 0.00 -2.18 0.01 0.00 -1.45 0.00 0.00 41.25 37.63 2ka7 s ASN 77 CO -0.01 -0.40 0.68 -0.62 -3.72 0.00 0.00 177.10 173.03 2ka7 n GLU 78 N 3.23 0.00 0.04 0.43 -0.58 -1.26 -0.74 120.64 121.76 2ka7 n GLU 78 Ca 0.19 0.17 -0.10 0.00 -0.42 0.00 0.00 57.16 56.99 2ka7 n GLU 78 Cb 0.42 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 29.75 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2ka7 h LYS 79 N 0.00 -0.27 0.00 3.49 1.57 -1.94 -3.31 116.57 116.10 2ka7 h LYS 79 Ca 0.00 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2ka7 h LYS 79 Cb 0.00 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2ka7 h LYS 79 CO 0.00 -0.18 -0.11 -0.07 -0.57 0.00 0.00 179.45 178.52 2ka7 h LEU 80 N -0.28 0.00 -2.59 2.94 -0.00 -1.11 0.18 115.31 114.45 2ka7 h LEU 80 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2ka7 h LEU 80 Cb 0.38 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2ka7 h LEU 80 CO -0.21 0.11 0.02 -0.78 -0.00 0.00 0.00 178.44 177.57 2ka7 h ASP 81 N 0.00 0.00 0.00 -0.43 3.58 -1.74 -2.92 116.42 114.92 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 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 2ka7 h ASP 81 CO 0.01 0.00 -0.72 0.35 -2.88 0.00 0.00 179.24 176.01 2ka7 n THR 82 N -3.63 0.00 -3.26 2.25 -2.24 0.12 -4.86 114.28 102.66 2ka7 n THR 82 Ca -0.03 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.50 2ka7 n THR 82 Cb 0.10 0.27 -0.07 0.00 -2.10 0.00 0.00 70.33 68.52 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 -1.11 1.29 0.00 -0.78 -0.58 0.41 -4.92 120.64 114.95 2ka7 n GLU 83 Ca 0.00 -3.69 0.10 0.00 -0.42 0.00 0.00 57.16 53.16 2ka7 n GLU 83 Cb 0.03 -1.55 0.53 0.00 -0.57 0.00 0.00 31.44 29.89 2ka7 n GLU 83 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2ka7 n PRO 84 N 1.23 0.35 0.00 3.49 -0.04 -1.10 -3.34 135.00 135.59 2ka7 n PRO 84 Ca 0.24 0.08 0.12 0.00 -0.04 0.00 0.00 63.50 63.89 2ka7 n PRO 84 Cb 0.49 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.64 2ka7 n PRO 84 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 2ka7 n GLU 85 N -1.24 0.29 0.24 0.54 2.13 -1.26 -3.97 120.64 117.37 2ka7 n GLU 85 Ca 0.11 -0.19 0.12 0.00 0.66 0.00 0.00 57.16 57.85 2ka7 n GLU 85 Cb 0.15 -1.50 0.52 0.00 0.27 0.00 0.00 31.44 30.89 2ka7 n GLU 85 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2ka7 h LEU 86 N 0.47 0.00 -2.27 4.31 3.38 -1.95 -1.37 115.31 117.89 2ka7 h LEU 86 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2ka7 h LEU 86 Cb 0.52 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 2ka7 h LEU 86 CO 0.00 0.16 0.12 0.40 0.09 0.00 0.00 178.44 179.21 2ka7 h ILE 87 N 0.00 0.57 0.21 1.22 2.04 -1.80 0.12 117.51 119.88 2ka7 h ILE 87 Ca -0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2ka7 h ILE 87 Cb 0.67 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2ka7 h ILE 87 CO 0.02 0.00 -0.10 0.78 0.00 0.00 0.00 178.15 178.85 2ka7 h ASN 88 N 0.00 -0.24 -0.24 1.72 2.35 -1.51 -3.15 115.58 114.51 2ka7 h ASN 88 Ca 0.05 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.46 2ka7 h ASN 88 Cb 0.29 0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2ka7 h ASN 88 CO -0.00 0.27 -0.06 0.11 -1.65 0.00 0.00 177.43 176.10 2ka7 h LYS 89 N -0.89 0.59 -0.60 0.81 1.79 -0.94 -3.38 116.57 113.95 2ka7 h LYS 89 Ca -0.03 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.19 2ka7 h LYS 89 Cb 0.50 -0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 30.93 2ka7 h LYS 89 CO 0.05 0.66 -0.34 -0.25 -1.08 0.00 0.00 179.45 178.48 2ka7 n ASP 90 N -4.23 -2.64 -0.11 0.86 8.00 0.25 -5.02 116.55 113.66 2ka7 n ASP 90 Ca 0.01 -2.23 0.11 0.00 0.71 0.00 0.00 54.79 53.39 2ka7 n ASP 90 Cb 0.30 1.37 0.46 0.00 -0.02 0.00 0.00 41.12 43.22 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2ka7 h PRO 91 N 4.55 0.49 -0.01 -0.24 0.13 -1.57 -0.40 132.00 134.95 2ka7 h PRO 91 Ca 0.01 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 2ka7 h PRO 91 Cb 1.13 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.15 2ka7 h PRO 91 CO -0.02 0.32 -0.57 0.39 -0.23 0.00 0.00 178.00 177.90 2ka7 n GLU 92 N -4.48 1.02 -0.01 0.86 1.02 -1.26 -3.64 120.64 114.15 2ka7 n GLU 92 Ca 0.10 -0.83 -0.01 0.00 -0.02 0.00 0.00 57.16 56.41 2ka7 n GLU 92 Cb 0.34 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 2ka7 n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 93 N 1.43 -0.50 0.00 0.62 0.00 -0.92 -4.92 105.19 100.89 2ka7 n GLY 93 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.61 0.45 -0.11 1.61 -0.58 -0.80 -4.76 120.64 113.85 2ka7 n GLU 94 Ca -0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.72 2ka7 n GLU 94 Cb 0.04 -1.01 0.03 0.00 -0.57 0.00 0.00 31.44 29.92 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 2.54 2.00 3.71 0.62 0.00 -0.23 -4.95 105.19 108.89 2ka7 n GLY 95 Ca -0.00 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.65 1.97 -0.05 1.61 1.48 -1.24 -4.52 118.94 117.54 2ka7 s TRP 96 Ca 0.05 1.70 -0.04 0.00 -1.06 0.00 0.00 56.10 56.74 2ka7 s TRP 96 Cb 0.04 -3.28 -0.01 0.00 -1.16 0.00 0.00 33.47 29.06 2ka7 s TRP 96 CO 0.01 -2.48 -0.09 1.28 -4.06 0.00 0.00 176.95 171.62 2ka7 n LEU 97 N -3.75 0.50 -4.11 -4.66 4.77 -0.84 -4.66 117.00 104.24 2ka7 n LEU 97 Ca 0.11 0.10 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2ka7 n LEU 97 Cb 0.52 -0.56 -0.09 0.00 -2.33 0.00 0.00 43.42 40.96 2ka7 n LEU 97 CO 0.50 -0.44 -0.21 0.72 -1.33 0.00 0.00 177.39 176.63 2ka7 s PHE 98 N -1.48 0.77 0.18 -1.77 -0.12 -1.26 -1.52 117.98 112.79 2ka7 s PHE 98 Ca -0.07 -1.12 0.09 0.00 -0.05 0.00 0.00 56.93 55.77 2ka7 s PHE 98 Cb 0.01 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.99 2ka7 s PHE 98 CO 0.11 -0.60 -0.08 0.15 -0.05 0.00 0.00 175.22 174.75 2ka7 s LYS 99 N -4.04 2.12 -0.05 1.99 1.02 0.42 -2.96 119.74 118.24 2ka7 s LYS 99 Ca 0.24 -1.25 -0.07 0.00 0.02 0.00 0.00 55.97 54.91 2ka7 s LYS 99 Cb 0.06 -2.19 0.01 0.00 -0.52 0.00 0.00 37.83 35.20 2ka7 s LYS 99 CO 0.03 0.43 0.19 0.00 -0.92 0.00 0.00 175.35 175.08 2ka7 s MET 100 N -2.88 0.32 0.29 1.68 0.23 -0.20 -1.09 119.30 117.66 2ka7 s MET 100 Ca 0.25 0.06 -0.29 0.00 -1.03 0.00 0.00 55.69 54.68 2ka7 s MET 100 Cb -0.09 0.15 -0.10 0.00 -1.53 0.00 0.00 34.83 33.26 2ka7 s MET 100 CO 0.16 -0.06 1.40 -2.00 -2.03 0.00 0.00 175.02 172.49 2ka7 s GLU 101 N -0.39 4.28 0.59 3.16 2.12 0.58 -0.90 118.70 128.14 2ka7 s GLU 101 Ca -0.05 2.30 -0.15 0.00 0.36 0.00 0.00 54.97 57.44 2ka7 s GLU 101 Cb -0.03 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 2ka7 s GLU 101 CO 0.01 -0.36 1.04 0.96 -0.54 0.00 0.00 175.26 176.37 2ka7 s ILE 102 N -0.51 4.10 0.00 -3.70 -4.36 -0.75 -2.36 121.20 113.62 2ka7 s ILE 102 Ca 0.55 0.92 0.00 0.00 -0.26 0.00 0.00 60.65 61.86 2ka7 s ILE 102 Cb -0.42 -3.51 0.00 0.00 1.25 0.00 0.00 42.46 39.78 2ka7 s ILE 102 CO 0.49 -0.66 0.00 -0.24 0.24 0.00 0.00 174.94 174.77 2ka7 n SER 103 N -2.15 0.49 -3.39 4.36 2.88 -1.19 -4.87 113.62 109.74 2ka7 n SER 103 Ca 0.08 -0.11 -0.06 0.00 -1.33 0.00 0.00 58.87 57.44 2ka7 n SER 103 Cb 0.53 0.32 -0.07 0.00 -0.75 0.00 0.00 64.21 64.25 2ka7 n SER 103 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2ka7 s ASP 104 N -0.42 -0.25 0.20 -3.46 1.01 -1.26 -5.04 116.67 107.45 2ka7 s ASP 104 Ca 0.00 0.59 0.25 0.00 0.71 0.00 0.00 52.55 54.09 2ka7 s ASP 104 Cb 0.00 1.43 0.53 0.00 1.01 0.00 0.00 42.92 45.89 2ka7 s ASP 104 CO 0.00 -0.27 1.53 -0.08 0.21 0.00 0.00 175.17 176.56 2ka7 h GLU 105 N 8.14 0.00 0.00 8.23 4.81 -1.96 -3.26 114.58 130.54 2ka7 h GLU 105 Ca -0.19 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.02 2ka7 h GLU 105 Cb 1.14 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2ka7 h GLU 105 CO 0.23 0.00 -0.08 0.78 -0.73 0.00 0.00 179.01 179.21 2ka7 h GLY 106 N 4.43 0.00 1.79 1.92 0.00 -2.04 -1.22 103.07 107.95 2ka7 h GLY 106 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ka7 h GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.72 2ka7 n GLU 107 N -4.35 0.21 -0.15 4.80 4.71 -1.23 -4.00 120.64 120.63 2ka7 n GLU 107 Ca -0.03 0.01 -0.11 0.00 -0.01 0.00 0.00 57.16 57.02 2ka7 n GLU 107 Cb 0.16 -1.50 -0.01 0.00 -1.01 0.00 0.00 31.44 29.08 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 2ka7 h LEU 108 N 0.00 0.91 -1.47 -4.62 3.38 -1.42 -2.89 115.31 109.20 2ka7 h LEU 108 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2ka7 h LEU 108 Cb 0.39 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2ka7 h LEU 108 CO 0.00 1.10 0.00 -0.33 0.09 0.00 0.00 178.44 179.30 2ka7 h GLU 109 N 0.72 0.00 0.00 1.13 4.39 -1.75 -2.16 114.58 116.92 2ka7 h GLU 109 Ca 0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 2ka7 h GLU 109 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 2ka7 h GLU 109 CO 0.06 0.00 0.00 0.22 -1.16 0.00 0.00 179.01 178.13 2ka7 h ASP 110 N 0.00 0.00 -3.70 1.42 3.58 -1.72 -3.44 116.42 112.56 2ka7 h ASP 110 Ca 0.00 0.00 -0.46 0.00 0.42 0.00 0.00 57.03 56.99 2ka7 h ASP 110 Cb 0.44 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.57 2ka7 h ASP 110 CO 0.00 0.00 0.21 -0.76 -2.88 0.00 0.00 179.24 175.81 2ka7 s LEU 111 N -5.26 2.87 0.30 2.28 1.43 -0.81 -5.08 118.68 114.40 2ka7 s LEU 111 Ca 0.03 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 2ka7 s LEU 111 Cb 0.09 -3.13 -0.06 0.00 0.03 0.00 0.00 46.19 43.12 2ka7 s LEU 111 CO 0.48 -1.54 0.61 -0.76 0.23 0.00 0.00 176.35 175.36 2ka7 s LEU 112 N -5.21 4.03 1.09 1.79 1.43 -0.49 -4.81 118.68 116.51 2ka7 s LEU 112 Ca 0.60 0.87 -0.14 0.00 -1.03 0.00 0.00 54.13 54.43 2ka7 s LEU 112 Cb -0.11 -3.69 0.23 0.00 0.03 0.00 0.00 46.19 42.66 2ka7 s LEU 112 CO 0.44 -0.21 1.07 -1.81 0.23 0.00 0.00 176.35 176.08 2ka7 s ASP 113 N -2.94 1.83 0.06 2.29 1.11 -1.26 -0.45 116.67 117.31 2ka7 s ASP 113 Ca 0.47 1.15 -0.19 0.00 0.18 0.00 0.00 52.55 54.16 2ka7 s ASP 113 Cb -0.11 -1.79 -0.12 0.00 1.07 0.00 0.00 42.92 41.97 2ka7 s ASP 113 CO 0.28 -3.62 1.40 -0.08 1.18 0.00 0.00 175.17 174.33 2ka7 h GLU 114 N -2.23 0.43 -0.80 8.23 4.81 -1.94 0.71 114.58 123.79 2ka7 h GLU 114 Ca -0.55 -0.20 -0.04 0.00 -0.13 0.00 0.00 59.36 58.43 2ka7 h GLU 114 Cb 1.33 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 2ka7 h GLU 114 CO 0.53 0.74 0.33 0.37 -0.73 0.00 0.00 179.01 180.25 2ka7 h GLN 115 N 0.12 1.20 -0.38 1.92 5.75 -1.99 -1.79 115.11 119.94 2ka7 h GLN 115 Ca 0.04 -0.21 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 2ka7 h GLN 115 Cb 0.63 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 2ka7 h GLN 115 CO 0.03 0.96 -0.16 0.00 -2.65 0.00 0.00 178.83 177.02 2ka7 h ALA 116 N 1.18 1.01 -0.47 3.38 0.00 -1.88 -2.51 119.26 119.96 2ka7 h ALA 116 Ca 0.27 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2ka7 h ALA 116 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2ka7 h ALA 116 CO -0.02 0.59 0.04 -0.92 0.00 0.00 0.00 179.25 178.94 2ka7 h TYR 117 N 0.63 0.79 -0.45 0.00 3.20 -0.65 -2.49 116.97 117.99 2ka7 h TYR 117 Ca 0.10 -0.09 0.08 0.00 3.14 0.00 0.00 58.73 61.96 2ka7 h TYR 117 Cb 0.62 -0.22 -0.06 0.00 1.54 0.00 0.00 36.73 38.60 2ka7 h TYR 117 CO 0.03 0.71 0.08 0.37 -1.64 0.00 0.00 178.16 177.71 2ka7 h GLN 118 N 0.71 0.20 -0.84 1.82 4.15 -0.88 -0.90 115.11 119.37 2ka7 h GLN 118 Ca 0.15 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2ka7 h GLN 118 Cb 0.37 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.98 2ka7 h GLN 118 CO 0.01 0.13 0.43 1.49 -1.93 0.00 0.00 178.83 178.96 2ka7 h GLU 119 N 0.21 1.19 0.00 1.69 4.81 -1.36 -1.90 114.58 119.21 2ka7 h GLU 119 Ca 0.22 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.28 2ka7 h GLU 119 Cb 0.29 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 2ka7 h GLU 119 CO -0.30 0.90 -0.08 0.35 -0.73 0.00 0.00 179.01 179.15 2ka7 h PHE 120 N 1.19 0.00 -0.00 0.92 3.57 -0.76 0.21 116.94 122.06 2ka7 h PHE 120 Ca 0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.79 2ka7 h PHE 120 Cb 0.08 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.82 2ka7 h PHE 120 CO 0.01 0.08 -0.07 0.00 -2.23 0.00 0.00 178.31 176.10 2ka7 n ALA 122 N -1.13 2.87 -1.42 0.00 0.00 0.05 -3.91 120.51 116.96 2ka7 n ALA 122 Ca 0.14 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.13 2ka7 n ALA 122 Cb 0.26 -1.01 0.16 0.00 0.00 0.00 0.00 19.45 18.86 2ka7 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka7 n GLN 123 N 0.16 1.29 0.00 0.00 10.64 -1.19 -5.10 117.38 123.18 2ka7 n GLN 123 Ca 0.14 -2.79 0.00 0.00 -1.83 0.00 0.00 57.00 52.52 2ka7 n GLN 123 Cb 0.43 -1.43 0.00 0.00 -0.86 0.00 0.00 30.24 28.38 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32