#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 0.46 -3.82 0.03 0.00 -0.87 -4.83 118.16 109.13 2ka7 n LYS 2 Ca 0.00 0.18 -0.11 0.00 -0.00 0.00 0.00 58.31 58.39 2ka7 n LYS 2 Cb 0.00 -1.68 -0.08 0.00 -0.00 0.00 0.00 35.03 33.27 2ka7 n LYS 2 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2ka7 s MET 3 N -2.10 0.70 -0.15 -1.58 1.75 -0.86 -4.95 119.30 112.10 2ka7 s MET 3 Ca 0.68 -0.56 -0.04 0.00 -1.25 0.00 0.00 55.69 54.51 2ka7 s MET 3 Cb -0.44 0.30 0.07 0.00 2.84 0.00 0.00 34.83 37.60 2ka7 s MET 3 CO 0.55 -0.21 0.14 0.21 -0.65 0.00 0.00 175.02 175.07 2ka7 s LYS 4 N -2.42 0.08 0.54 4.11 2.20 -1.26 -0.92 119.74 122.07 2ka7 s LYS 4 Ca -0.06 0.15 0.07 0.00 -0.36 0.00 0.00 55.97 55.76 2ka7 s LYS 4 Cb -0.02 -1.28 0.07 0.00 -1.51 0.00 0.00 37.83 35.09 2ka7 s LYS 4 CO -0.03 -0.58 0.55 1.63 -0.36 0.00 0.00 175.35 176.56 2ka7 n LYS 5 N 5.30 0.68 -4.34 4.03 4.01 -1.23 -4.65 118.16 121.96 2ka7 n LYS 5 Ca -0.06 -3.14 -0.20 0.00 -0.51 0.00 0.00 58.31 54.40 2ka7 n LYS 5 Cb 0.49 0.10 -0.09 0.00 -0.51 0.00 0.00 35.03 35.03 2ka7 n LYS 5 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2ka7 s TYR 6 N -2.52 1.66 0.20 2.13 1.51 -0.70 -0.45 117.35 119.18 2ka7 s TYR 6 Ca 0.42 -1.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.02 2ka7 s TYR 6 Cb -0.03 -0.84 -0.05 0.00 -0.11 0.00 0.00 41.96 40.93 2ka7 s TYR 6 CO 0.27 -0.63 0.03 0.95 -1.11 0.00 0.00 175.55 175.06 2ka7 s THR 7 N -3.51 0.62 0.21 -0.71 -4.23 -0.80 -2.90 115.64 104.32 2ka7 s THR 7 Ca 0.36 -1.98 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2ka7 s THR 7 Cb 0.04 -2.27 -0.06 0.00 1.34 0.00 0.00 72.50 71.55 2ka7 s THR 7 CO 0.21 -0.33 1.52 0.11 -0.54 0.00 0.00 174.62 175.58 2ka7 h LYS 8 N 2.61 0.39 -2.10 3.99 1.57 -1.98 -2.53 116.57 118.53 2ka7 h LYS 8 Ca -0.37 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.11 2ka7 h LYS 8 Cb 1.22 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.56 2ka7 h LYS 8 CO 0.62 0.88 -0.00 -2.37 -0.57 0.00 0.00 179.45 178.00 2ka7 n THR 9 N -3.90 1.29 -3.95 -0.16 5.66 -1.26 -4.81 114.28 107.15 2ka7 n THR 9 Ca -0.03 -0.42 -0.37 0.00 -3.05 0.00 0.00 64.05 60.18 2ka7 n THR 9 Cb 0.63 -1.41 0.01 0.00 -1.55 0.00 0.00 70.33 68.01 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 1.94 -1.54 -4.44 1.09 1.44 -0.95 -4.84 115.22 107.92 2ka7 n HIS 10 Ca 0.06 0.34 -0.21 0.00 -2.01 0.00 0.00 57.72 55.89 2ka7 n HIS 10 Cb 0.35 -2.60 -0.11 0.00 0.12 0.00 0.00 29.99 27.75 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 -6.38 1.61 0.45 -1.40 2.02 -1.23 -1.09 118.70 112.68 2ka7 s GLU 11 Ca 0.29 -1.88 0.06 0.00 0.02 0.00 0.00 54.97 53.46 2ka7 s GLU 11 Cb -0.16 -0.87 -0.03 0.00 0.10 0.00 0.00 34.13 33.17 2ka7 s GLU 11 CO 0.90 -0.16 0.21 1.67 0.02 0.00 0.00 175.26 177.90 2ka7 s TRP 12 N -3.28 2.37 0.01 1.61 1.48 -0.57 -1.90 118.94 118.66 2ka7 s TRP 12 Ca 0.35 -0.66 0.02 0.00 -1.06 0.00 0.00 56.10 54.75 2ka7 s TRP 12 Cb 0.08 -1.93 -0.01 0.00 -1.16 0.00 0.00 33.47 30.45 2ka7 s TRP 12 CO 0.15 0.06 -0.05 0.08 -4.06 0.00 0.00 176.95 173.12 2ka7 s VAL 13 N -2.65 0.41 -0.44 -0.66 1.01 0.40 -3.62 120.40 114.85 2ka7 s VAL 13 Ca 0.37 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.94 2ka7 s VAL 13 Cb 0.02 -0.39 0.17 0.00 0.00 0.00 0.00 36.38 36.18 2ka7 s VAL 13 CO 0.21 -0.04 0.36 -0.44 0.00 0.00 0.00 175.10 175.18 2ka7 s SER 14 N -0.53 1.79 0.36 3.32 0.01 0.91 -3.52 113.70 116.05 2ka7 s SER 14 Ca -0.02 -3.15 -0.28 0.00 1.31 0.00 0.00 55.95 53.81 2ka7 s SER 14 Cb -0.04 -0.56 -0.11 0.00 0.21 0.00 0.00 66.02 65.52 2ka7 s SER 14 CO -0.00 -0.16 1.43 -0.63 0.41 0.00 0.00 173.24 174.29 2ka7 s ILE 15 N -0.10 2.25 0.00 1.44 1.09 -0.10 -1.45 121.20 124.33 2ka7 s ILE 15 Ca 0.32 0.25 0.00 0.00 -1.10 0.00 0.00 60.65 60.12 2ka7 s ILE 15 Cb 0.03 -3.16 0.00 0.00 -1.06 0.00 0.00 42.46 38.27 2ka7 s ILE 15 CO -0.19 0.06 0.00 1.21 -0.10 0.00 0.00 174.94 175.92 2ka7 n GLU 16 N 0.55 0.00 0.00 2.79 4.07 -1.14 -2.03 120.64 124.88 2ka7 n GLU 16 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 2ka7 n GLU 16 Cb 0.40 -0.05 0.00 0.00 -0.06 0.00 0.00 31.44 31.73 2ka7 n GLU 16 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2ka7 n ASP 17 N -2.06 0.00 -1.22 4.31 9.92 -1.26 -2.05 116.55 124.20 2ka7 n ASP 17 Ca 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 54.79 54.23 2ka7 n ASP 17 Cb 0.00 0.00 0.13 0.00 -0.64 0.00 0.00 41.12 40.61 2ka7 n ASP 17 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 2ka7 n LYS 18 N 0.00 2.00 -3.73 -1.24 2.85 -1.26 -4.89 118.16 111.89 2ka7 n LYS 18 Ca 0.00 -3.42 -0.22 0.00 -1.05 0.00 0.00 58.31 53.62 2ka7 n LYS 18 Cb 0.00 -1.63 -0.18 0.00 -0.65 0.00 0.00 35.03 32.57 2ka7 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2ka7 s VAL 19 N -3.31 0.20 -0.43 0.58 1.01 -1.26 -4.05 120.40 113.14 2ka7 s VAL 19 Ca 0.41 0.20 -0.13 0.00 0.00 0.00 0.00 61.98 62.45 2ka7 s VAL 19 Cb 0.38 -0.42 0.05 0.00 0.00 0.00 0.00 36.38 36.40 2ka7 s VAL 19 CO -0.05 0.20 0.32 0.00 0.00 0.00 0.00 175.10 175.57 2ka7 s ALA 20 N 2.04 3.44 0.03 5.51 0.00 0.15 -2.90 121.76 130.03 2ka7 s ALA 20 Ca 0.05 -1.97 -0.30 0.00 0.00 0.00 0.00 51.96 49.74 2ka7 s ALA 20 Cb -0.12 -2.87 -0.06 0.00 0.00 0.00 0.00 23.12 20.07 2ka7 s ALA 20 CO -0.05 -1.60 1.40 0.99 0.00 0.00 0.00 175.76 176.51 2ka7 s THR 21 N 1.59 3.61 0.12 0.00 2.01 -0.53 -2.28 115.64 120.16 2ka7 s THR 21 Ca 0.04 1.05 -0.06 0.00 0.31 0.00 0.00 61.69 63.02 2ka7 s THR 21 Cb -0.22 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.56 2ka7 s THR 21 CO 0.07 0.02 0.38 0.54 -0.69 0.00 0.00 174.62 174.94 2ka7 s VAL 22 N 2.08 5.15 0.17 3.82 0.11 0.23 -0.06 120.40 131.90 2ka7 s VAL 22 Ca 0.64 0.16 -0.22 0.00 -2.93 0.00 0.00 61.98 59.63 2ka7 s VAL 22 Cb -0.33 -3.62 0.06 0.00 -1.53 0.00 0.00 36.38 30.96 2ka7 s VAL 22 CO 0.28 0.11 0.59 -0.83 -3.33 0.00 0.00 175.10 171.92 2ka7 s GLY 23 N -2.23 -0.50 0.15 6.54 0.00 -1.24 -0.02 107.32 110.02 2ka7 s GLY 23 Ca 0.39 0.31 -0.25 0.00 0.00 0.00 0.00 44.72 45.17 2ka7 s GLY 23 CO 0.22 0.07 0.76 -0.26 0.00 0.00 0.00 173.10 173.89 2ka7 s ILE 24 N -3.78 4.43 1.01 0.90 -4.36 -1.26 -1.51 121.20 116.63 2ka7 s ILE 24 Ca 0.03 1.67 -0.14 0.00 -0.26 0.00 0.00 60.65 61.94 2ka7 s ILE 24 Cb -0.01 -4.12 0.19 0.00 1.25 0.00 0.00 42.46 39.77 2ka7 s ILE 24 CO -0.10 0.51 1.15 0.42 0.24 0.00 0.00 174.94 177.16 2ka7 s THR 25 N -1.03 1.90 0.42 8.37 -4.23 -0.25 -4.51 115.64 116.32 2ka7 s THR 25 Ca 0.36 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.95 2ka7 s THR 25 Cb -0.23 -2.68 0.28 0.00 1.34 0.00 0.00 72.50 71.22 2ka7 s THR 25 CO 0.25 0.00 2.05 -1.13 -0.54 0.00 0.00 174.62 175.25 2ka7 h ASN 26 N -1.86 0.43 -0.24 3.99 -1.24 -1.89 -0.33 115.58 114.45 2ka7 h ASN 26 Ca -0.49 -0.01 0.07 0.00 0.71 0.00 0.00 56.30 56.58 2ka7 h ASN 26 Cb 1.31 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 40.25 2ka7 h ASN 26 CO 0.51 0.30 0.34 -0.74 -1.29 0.00 0.00 177.43 176.55 2ka7 h HIS 27 N 0.50 0.00 0.03 0.67 2.76 -1.92 -2.22 115.15 114.97 2ka7 h HIS 27 Ca 0.17 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.25 2ka7 h HIS 27 Cb 0.07 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.03 2ka7 h HIS 27 CO -0.00 0.00 -0.48 0.00 -1.30 0.00 0.00 177.93 176.15 2ka7 h ALA 28 N 1.54 0.06 0.00 5.26 0.00 -1.31 -3.33 119.26 121.48 2ka7 h ALA 28 Ca 0.11 -0.72 -0.00 0.00 0.00 0.00 0.00 54.91 54.30 2ka7 h ALA 28 Cb 0.79 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2ka7 h ALA 28 CO -0.00 0.26 -0.00 -0.56 0.00 0.00 0.00 179.25 178.95 2ka7 h GLN 29 N -0.86 0.00 -0.09 0.00 -0.00 -1.38 -1.28 115.11 111.50 2ka7 h GLN 29 Ca -0.12 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.56 2ka7 h GLN 29 Cb 1.21 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.69 2ka7 h GLN 29 CO -0.02 0.00 0.09 0.93 -0.00 0.00 0.00 178.83 179.83 2ka7 h GLU 30 N 0.00 0.00 0.10 0.06 4.39 -1.55 0.21 114.58 117.80 2ka7 h GLU 30 Ca -0.00 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.36 2ka7 h GLU 30 Cb 0.12 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.75 2ka7 h GLU 30 CO 0.00 0.00 -1.85 0.00 -1.16 0.00 0.00 179.01 176.00 2ka7 n GLN 31 N -3.99 0.72 -0.00 2.33 10.64 -0.49 -4.67 117.38 121.92 2ka7 n GLN 31 Ca -0.01 0.33 -0.12 0.00 -1.83 0.00 0.00 57.00 55.36 2ka7 n GLN 31 Cb 0.19 -1.72 -0.14 0.00 -0.86 0.00 0.00 30.24 27.71 2ka7 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.06 175.16 2ka7 h LEU 32 N -0.14 0.14 0.00 2.61 3.38 -1.48 -3.49 115.31 116.33 2ka7 h LEU 32 Ca -0.41 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.28 2ka7 h LEU 32 Cb 1.89 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.60 2ka7 h LEU 32 CO 0.03 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.43 2ka7 n GLY 33 N 1.66 3.19 3.62 0.83 0.00 0.72 -4.56 105.19 110.65 2ka7 n GLY 33 Ca -0.20 0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 5.92 0.05 1.61 1.01 -1.26 -4.83 116.67 115.17 2ka7 s ASP 34 Ca 0.00 1.86 0.00 0.00 0.71 0.00 0.00 52.55 55.12 2ka7 s ASP 34 Cb 0.00 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.41 2ka7 s ASP 34 CO 0.00 -1.60 0.00 0.52 0.21 0.00 0.00 175.17 174.30 2ka7 n VAL 35 N 7.00 0.00 0.00 -1.27 0.31 -1.26 -3.01 118.33 120.10 2ka7 n VAL 35 Ca 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 2ka7 n VAL 35 Cb 0.45 -1.09 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.59 0.00 -3.75 2.52 0.24 -1.26 -4.62 118.33 110.87 2ka7 n VAL 36 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 2ka7 n VAL 36 Cb 0.00 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.28 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 -0.46 -0.26 -0.10 6.34 5.04 -0.85 -4.82 117.35 122.24 2ka7 s TYR 37 Ca 0.00 0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 55.08 2ka7 s TYR 37 Cb 0.00 0.12 0.04 0.00 0.35 0.00 0.00 41.96 42.47 2ka7 s TYR 37 CO 0.00 -0.35 0.06 0.08 -1.34 0.00 0.00 175.55 174.00 2ka7 s VAL 38 N -0.93 0.01 0.38 3.14 1.01 -1.26 -2.88 120.40 119.86 2ka7 s VAL 38 Ca -0.10 0.12 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 2ka7 s VAL 38 Cb -0.04 -0.41 -0.10 0.00 0.00 0.00 0.00 36.38 35.83 2ka7 s VAL 38 CO 0.04 0.01 1.40 -0.62 0.00 0.00 0.00 175.10 175.92 2ka7 s ASP 39 N 2.11 6.41 -0.02 3.32 2.15 0.73 -4.62 116.67 126.75 2ka7 s ASP 39 Ca 0.04 2.87 0.02 0.00 0.43 0.00 0.00 52.55 55.90 2ka7 s ASP 39 Cb -0.14 -2.66 0.00 0.00 -0.30 0.00 0.00 42.92 39.83 2ka7 s ASP 39 CO -0.06 -0.80 -0.07 -0.76 -0.17 0.00 0.00 175.17 173.31 2ka7 s LEU 40 N -2.13 1.82 0.00 -1.34 1.43 -1.26 -4.31 118.68 112.89 2ka7 s LEU 40 Ca 0.53 -0.14 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 2ka7 s LEU 40 Cb -0.43 -0.41 0.00 0.00 0.03 0.00 0.00 46.19 45.38 2ka7 s LEU 40 CO 0.57 0.05 0.00 -0.81 0.23 0.00 0.00 176.35 176.39 2ka7 n PRO 41 N 3.22 0.55 -4.53 1.29 -0.04 -1.20 -4.99 135.00 129.30 2ka7 n PRO 41 Ca -0.17 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.98 2ka7 n PRO 41 Cb 0.55 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.90 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 -1.11 2.27 0.00 0.54 2.12 -1.26 -4.97 118.70 116.30 2ka7 s GLU 42 Ca 0.00 -0.88 0.00 0.00 0.36 0.00 0.00 54.97 54.45 2ka7 s GLU 42 Cb 0.00 -2.33 0.00 0.00 0.26 0.00 0.00 34.13 32.06 2ka7 s GLU 42 CO 0.00 0.56 0.37 1.55 -0.54 0.00 0.00 175.26 177.20 2ka7 n VAL 43 N 1.45 0.00 -1.80 3.70 3.14 -1.26 -1.67 118.33 121.89 2ka7 n VAL 43 Ca -0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.23 2ka7 n VAL 43 Cb 0.52 -0.26 0.00 0.00 -1.06 0.00 0.00 33.84 33.04 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 0.17 0.14 3.74 7.55 0.00 -1.12 -3.92 105.19 111.75 2ka7 n GLY 44 Ca 0.00 0.00 -0.41 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 4.76 0.55 1.61 3.52 -0.67 -4.77 118.95 123.95 2ka7 s ARG 45 Ca 0.00 1.51 -0.16 0.00 -0.13 0.00 0.00 55.73 56.94 2ka7 s ARG 45 Cb 0.00 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 30.01 2ka7 s ARG 45 CO 0.00 0.34 1.02 -1.21 -0.81 0.00 0.00 175.30 174.64 2ka7 s GLU 46 N -0.63 3.64 0.12 5.12 2.02 -1.26 -0.54 118.70 127.18 2ka7 s GLU 46 Ca 0.44 1.08 -0.01 0.00 0.02 0.00 0.00 54.97 56.50 2ka7 s GLU 46 Cb -0.25 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.85 2ka7 s GLU 46 CO 0.32 -0.53 0.06 0.14 0.02 0.00 0.00 175.26 175.26 2ka7 s VAL 47 N -2.53 0.11 0.35 2.63 -7.23 0.21 -4.88 120.40 109.06 2ka7 s VAL 47 Ca 0.61 -1.87 0.08 0.00 -1.81 0.00 0.00 61.98 59.00 2ka7 s VAL 47 Cb -0.13 -1.97 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2ka7 s VAL 47 CO 0.34 -0.52 0.16 -0.54 -0.31 0.00 0.00 175.10 174.23 2ka7 s LYS 48 N -4.03 2.40 0.00 4.82 -0.14 -1.26 -2.18 119.74 119.36 2ka7 s LYS 48 Ca 0.22 -1.54 0.00 0.00 -1.36 0.00 0.00 55.97 53.29 2ka7 s LYS 48 Cb 0.07 -2.20 0.00 0.00 -1.68 0.00 0.00 37.83 34.02 2ka7 s LYS 48 CO 0.00 0.09 0.04 0.36 -0.76 0.00 0.00 175.35 175.08 2ka7 n LYS 49 N -1.18 0.04 -3.21 1.68 2.85 -1.13 -3.22 118.16 113.99 2ka7 n LYS 49 Ca -0.03 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.24 2ka7 n LYS 49 Cb 0.61 -1.00 -0.01 0.00 -0.65 0.00 0.00 35.03 33.98 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 2ka7 s GLY 50 N -1.92 -1.20 -0.08 2.58 0.00 -1.06 -4.56 107.32 101.08 2ka7 s GLY 50 Ca 0.00 0.33 -0.03 0.00 0.00 0.00 0.00 44.72 45.01 2ka7 s GLY 50 CO 0.00 3.62 0.17 1.85 0.00 0.00 0.00 173.10 178.74 2ka7 s GLU 51 N 2.03 0.09 0.00 2.90 2.56 -1.20 -4.82 118.70 120.27 2ka7 s GLU 51 Ca 0.15 0.46 0.00 0.00 0.00 0.00 0.00 54.97 55.58 2ka7 s GLU 51 Cb -0.06 -0.19 0.00 0.00 2.00 0.00 0.00 34.13 35.88 2ka7 s GLU 51 CO -0.11 -0.21 0.32 0.28 -0.56 0.00 0.00 175.26 174.98 2ka7 n VAL 52 N 4.57 0.03 0.56 3.70 0.31 -1.26 -0.56 118.33 125.69 2ka7 n VAL 52 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2ka7 n VAL 52 Cb 0.51 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 33.11 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 0.22 0.00 -2.69 2.52 0.24 -1.24 -2.22 118.33 115.17 2ka7 n VAL 53 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.23 2ka7 n VAL 53 Cb 0.16 -0.32 0.08 0.00 -1.47 0.00 0.00 33.84 32.29 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 -0.39 2.26 -1.02 2.33 0.00 -1.25 -3.26 120.51 119.17 2ka7 n ALA 54 Ca 0.00 -2.08 -0.35 0.00 0.00 0.00 0.00 53.44 51.01 2ka7 n ALA 54 Cb 0.01 -0.96 0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.43 -2.46 -3.51 0.00 7.64 -0.94 -3.40 113.62 110.52 2ka7 n SER 55 Ca 0.01 0.42 -0.25 0.00 1.01 0.00 0.00 58.87 60.06 2ka7 n SER 55 Cb 0.84 -1.12 -0.14 0.00 -1.01 0.00 0.00 64.21 62.78 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 -2.14 -0.16 -0.27 0.44 1.01 -0.32 -0.20 121.20 119.57 2ka7 s ILE 56 Ca 0.57 -0.64 -0.24 0.00 0.00 0.00 0.00 60.65 60.35 2ka7 s ILE 56 Cb -0.27 -0.95 -0.00 0.00 0.01 0.00 0.00 42.46 41.24 2ka7 s ILE 56 CO 0.66 -0.62 0.79 -1.61 0.00 0.00 0.00 174.94 174.16 2ka7 s GLU 57 N 2.18 4.09 0.00 2.79 2.02 -1.14 -0.84 118.70 127.80 2ka7 s GLU 57 Ca 0.09 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.83 2ka7 s GLU 57 Cb -0.15 -3.68 0.00 0.00 0.10 0.00 0.00 34.13 30.40 2ka7 s GLU 57 CO -0.34 -0.57 0.00 -1.13 0.02 0.00 0.00 175.26 173.25 2ka7 n SER 58 N 6.05 0.00 -0.37 -0.19 3.41 -0.51 -2.00 113.62 120.00 2ka7 n SER 58 Ca 0.04 -0.79 0.01 0.00 -0.26 0.00 0.00 58.87 57.87 2ka7 n SER 58 Cb 0.48 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.50 2ka7 n SER 58 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2ka7 n VAL 59 N -1.18 -0.48 -2.73 -3.33 0.24 -1.17 -3.90 118.33 105.79 2ka7 n VAL 59 Ca 0.00 2.27 -0.08 0.00 -2.04 0.00 0.00 64.34 64.49 2ka7 n VAL 59 Cb 0.00 -3.04 0.09 0.00 -1.47 0.00 0.00 33.84 29.41 2ka7 n VAL 59 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2ka7 n LYS 60 N -5.48 1.14 -3.99 7.34 0.00 -1.26 -5.12 118.16 110.78 2ka7 n LYS 60 Ca 0.12 -2.20 -0.12 0.00 0.00 0.00 0.00 58.31 56.10 2ka7 n LYS 60 Cb 0.42 -0.54 -0.02 0.00 0.00 0.00 0.00 35.03 34.88 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 -0.57 0.16 -0.12 3.14 0.00 -1.25 -5.16 121.76 117.96 2ka7 s ALA 61 Ca 0.24 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.97 2ka7 s ALA 61 Cb 0.39 1.00 0.05 0.00 0.00 0.00 0.00 23.12 24.55 2ka7 s ALA 61 CO -0.06 -0.86 0.08 0.00 0.00 0.00 0.00 175.76 174.92 2ka7 s ALA 62 N -2.97 0.32 -0.58 0.00 0.00 -1.26 -1.43 121.76 115.85 2ka7 s ALA 62 Ca 0.25 -0.08 -0.18 0.00 0.00 0.00 0.00 51.96 51.94 2ka7 s ALA 62 Cb -0.02 -0.88 0.11 0.00 0.00 0.00 0.00 23.12 22.33 2ka7 s ALA 62 CO 0.16 -0.90 0.66 0.00 0.00 0.00 0.00 175.76 175.69 2ka7 s ALA 63 N 2.16 3.46 -0.24 0.00 0.00 -0.02 -4.92 121.76 122.20 2ka7 s ALA 63 Ca 0.03 -2.29 -0.28 0.00 0.00 0.00 0.00 51.96 49.42 2ka7 s ALA 63 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2ka7 s ALA 63 CO -0.07 -2.29 1.98 -0.51 0.00 0.00 0.00 175.76 174.87 2ka7 s ASP 64 N 3.62 5.79 -0.48 0.00 1.01 -1.26 -1.17 116.67 124.17 2ka7 s ASP 64 Ca 0.10 1.69 -0.28 0.00 0.71 0.00 0.00 52.55 54.76 2ka7 s ASP 64 Cb -0.25 -2.52 0.03 0.00 1.01 0.00 0.00 42.92 41.19 2ka7 s ASP 64 CO 0.06 -1.73 1.10 -0.69 0.21 0.00 0.00 175.17 174.11 2ka7 s VAL 65 N 7.17 4.24 -0.52 -1.27 1.01 -1.22 -4.92 120.40 124.90 2ka7 s VAL 65 Ca 0.89 1.09 -0.27 0.00 0.00 0.00 0.00 61.98 63.68 2ka7 s VAL 65 Cb -0.29 -4.58 0.03 0.00 0.00 0.00 0.00 36.38 31.54 2ka7 s VAL 65 CO 0.34 -1.01 1.09 -0.31 0.00 0.00 0.00 175.10 175.21 2ka7 s TYR 66 N 4.35 2.76 0.26 5.22 2.02 -1.26 -3.66 117.35 127.04 2ka7 s TYR 66 Ca 0.45 0.44 -0.23 0.00 -0.37 0.00 0.00 57.07 57.35 2ka7 s TYR 66 Cb -0.08 -4.32 -0.15 0.00 -0.40 0.00 0.00 41.96 37.01 2ka7 s TYR 66 CO 0.30 -1.36 0.32 0.00 -1.57 0.00 0.00 175.55 173.25 2ka7 n ALA 67 N 7.86 -2.79 0.03 3.71 0.00 0.27 -4.58 120.51 125.02 2ka7 n ALA 67 Ca 0.08 0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.64 2ka7 n ALA 67 Cb 0.49 -1.44 -0.14 0.00 0.00 0.00 0.00 19.45 18.36 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 0.68 0.21 -5.86 0.00 0.13 -1.80 -2.82 132.00 122.55 2ka7 h PRO 68 Ca -0.29 -0.37 -0.53 0.00 -0.87 0.00 0.00 66.00 63.95 2ka7 h PRO 68 Cb 1.33 0.14 -0.14 0.00 0.13 0.00 0.00 31.00 32.46 2ka7 h PRO 68 CO 0.49 1.04 -0.74 -0.51 -0.23 0.00 0.00 178.00 178.04 2ka7 s LEU 69 N -6.85 2.57 0.45 1.56 2.01 -1.26 -4.55 118.68 112.62 2ka7 s LEU 69 Ca -0.12 -1.04 -0.19 0.00 0.01 0.00 0.00 54.13 52.80 2ka7 s LEU 69 Cb 0.07 -0.87 -0.10 0.00 0.01 0.00 0.00 46.19 45.30 2ka7 s LEU 69 CO 0.83 -0.08 0.94 -0.44 1.01 0.00 0.00 176.35 178.60 2ka7 s SER 70 N -3.41 6.81 0.00 2.29 0.01 -1.26 -2.85 113.70 115.28 2ka7 s SER 70 Ca 0.26 1.60 0.00 0.00 1.31 0.00 0.00 55.95 59.12 2ka7 s SER 70 Cb -0.02 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2ka7 s SER 70 CO 0.11 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 173.95 2ka7 n GLY 71 N -0.95 -0.11 2.94 3.44 0.00 -0.92 -4.17 105.19 105.42 2ka7 n GLY 71 Ca 0.06 -1.24 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 0.09 0.51 1.61 2.20 -0.96 -0.62 119.74 120.58 2ka7 s LYS 72 Ca 0.00 0.18 -0.22 0.00 -0.36 0.00 0.00 55.97 55.56 2ka7 s LYS 72 Cb 0.00 -0.01 -0.06 0.00 -1.51 0.00 0.00 37.83 36.25 2ka7 s LYS 72 CO 0.00 -0.05 1.29 0.42 -0.36 0.00 0.00 175.35 176.65 2ka7 s ILE 73 N 0.33 2.45 0.00 5.43 -1.09 0.30 -0.26 121.20 128.36 2ka7 s ILE 73 Ca -0.02 0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.74 2ka7 s ILE 73 Cb -0.04 -3.17 0.00 0.00 -1.58 0.00 0.00 42.46 37.67 2ka7 s ILE 73 CO -0.01 -0.00 0.00 1.33 -1.23 0.00 0.00 174.94 175.02 2ka7 n VAL 74 N -0.81 0.00 -3.46 2.92 0.24 -0.36 -2.81 118.33 114.06 2ka7 n VAL 74 Ca 0.09 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.26 2ka7 n VAL 74 Cb 0.46 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.86 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 -0.03 7.34 2.12 -0.92 -4.94 118.70 123.41 2ka7 s GLU 75 Ca 0.00 -0.28 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 2ka7 s GLU 75 Cb 0.00 0.53 0.01 0.00 0.26 0.00 0.00 34.13 34.93 2ka7 s GLU 75 CO 0.00 -0.47 0.17 0.14 -0.54 0.00 0.00 175.26 174.56 2ka7 s VAL 76 N -3.05 0.05 -1.29 3.70 -7.23 -1.26 -0.90 120.40 110.42 2ka7 s VAL 76 Ca -0.01 -0.41 -0.13 0.00 -1.81 0.00 0.00 61.98 59.62 2ka7 s VAL 76 Cb -0.01 -0.38 0.13 0.00 0.56 0.00 0.00 36.38 36.68 2ka7 s VAL 76 CO -0.07 -0.23 1.78 -3.20 -0.31 0.00 0.00 175.10 173.07 2ka7 n ASN 77 N 2.02 4.91 0.17 4.85 5.15 -0.34 -4.80 115.26 127.23 2ka7 n ASN 77 Ca -0.19 -3.00 0.11 0.00 -0.60 0.00 0.00 54.58 50.91 2ka7 n ASN 77 Cb 0.57 -1.58 0.61 0.00 -0.53 0.00 0.00 39.78 38.85 2ka7 n ASN 77 CO 0.00 0.00 0.00 1.05 1.40 0.00 0.00 177.26 179.71 2ka7 h GLU 78 N 6.50 0.00 -0.58 1.20 4.11 -1.96 0.53 114.58 124.39 2ka7 h GLU 78 Ca 0.41 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.92 2ka7 h GLU 78 Cb 0.74 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 2ka7 h GLU 78 CO 1.52 0.00 0.22 0.87 0.07 0.00 0.00 179.01 181.69 2ka7 h LYS 79 N 0.00 0.40 0.00 1.06 1.57 -1.97 -2.87 116.57 114.76 2ka7 h LYS 79 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2ka7 h LYS 79 Cb 0.05 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2ka7 h LYS 79 CO 0.00 0.26 0.00 -0.07 -0.57 0.00 0.00 179.45 179.07 2ka7 h LEU 80 N 0.41 0.00 -1.38 2.94 -0.00 -1.10 0.28 115.31 116.46 2ka7 h LEU 80 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 2ka7 h LEU 80 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.98 2ka7 h LEU 80 CO -0.28 0.00 0.00 -0.78 -0.00 0.00 0.00 178.44 177.38 2ka7 h ASP 81 N 0.00 0.00 0.00 -0.43 1.82 -1.65 -2.82 116.42 113.34 2ka7 h ASP 81 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2ka7 h ASP 81 Cb 0.19 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2ka7 h ASP 81 CO 0.00 0.00 -0.40 0.35 -1.61 0.00 0.00 179.24 177.58 2ka7 n THR 82 N -2.40 0.00 -3.17 2.25 -2.24 0.46 -4.87 114.28 104.32 2ka7 n THR 82 Ca -0.00 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.53 2ka7 n THR 82 Cb 0.12 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.06 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 -0.96 2.18 0.01 -0.78 1.02 0.70 -4.93 120.64 117.88 2ka7 n GLU 83 Ca 0.00 -4.25 0.05 0.00 -0.02 0.00 0.00 57.16 52.94 2ka7 n GLU 83 Cb 0.14 -1.97 0.23 0.00 -0.02 0.00 0.00 31.44 29.82 2ka7 n GLU 83 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2ka7 n PRO 84 N 0.44 0.01 0.11 3.49 -0.04 -1.06 -1.85 135.00 136.10 2ka7 n PRO 84 Ca 0.28 0.34 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 2ka7 n PRO 84 Cb 0.47 -1.52 0.46 0.00 -0.04 0.00 0.00 33.50 32.87 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 -1.54 0.19 0.16 0.54 2.13 -1.26 -4.02 120.64 116.84 2ka7 n GLU 85 Ca 0.02 0.35 0.12 0.00 0.66 0.00 0.00 57.16 58.32 2ka7 n GLU 85 Cb 0.12 -1.82 0.58 0.00 0.27 0.00 0.00 31.44 30.60 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 0.00 0.00 -1.29 4.31 3.38 -1.76 0.16 115.31 120.11 2ka7 h LEU 86 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2ka7 h LEU 86 Cb 0.44 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2ka7 h LEU 86 CO 0.00 0.00 -0.02 0.40 0.09 0.00 0.00 178.44 178.91 2ka7 h ILE 87 N 0.00 1.19 -0.40 1.22 5.03 -1.83 0.36 117.51 123.08 2ka7 h ILE 87 Ca 0.00 -0.75 0.02 0.00 -0.12 0.00 0.00 64.86 64.01 2ka7 h ILE 87 Cb 0.20 0.98 -0.03 0.00 -3.03 0.00 0.00 36.82 34.95 2ka7 h ILE 87 CO 0.00 0.25 0.23 0.78 -0.68 0.00 0.00 178.15 178.74 2ka7 h ASN 88 N 0.44 0.38 0.37 1.72 2.35 -0.98 -2.73 115.58 117.14 2ka7 h ASN 88 Ca 0.10 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.83 2ka7 h ASN 88 Cb 0.32 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.61 2ka7 h ASN 88 CO 0.01 0.28 -0.18 0.11 -1.65 0.00 0.00 177.43 176.00 2ka7 h LYS 89 N 0.48 -0.48 -1.95 0.81 1.57 -1.55 -3.41 116.57 112.04 2ka7 h LYS 89 Ca 0.16 0.03 -0.51 0.00 -1.87 0.00 0.00 60.65 58.46 2ka7 h LYS 89 Cb 0.00 0.11 -0.39 0.00 0.08 0.00 0.00 32.23 32.03 2ka7 h LYS 89 CO -0.07 -0.32 -1.14 -0.25 -0.57 0.00 0.00 179.45 177.10 2ka7 n ASP 90 N -5.11 0.41 0.28 0.86 8.00 0.09 -4.95 116.55 116.13 2ka7 n ASP 90 Ca -0.06 -2.87 0.19 0.00 0.71 0.00 0.00 54.79 52.76 2ka7 n ASP 90 Cb 0.20 -0.56 0.99 0.00 -0.02 0.00 0.00 41.12 41.73 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 3.51 0.00 0.00 -0.24 0.13 -1.57 0.76 132.00 134.58 2ka7 h PRO 91 Ca 0.08 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2ka7 h PRO 91 Cb 0.93 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.00 2ka7 h PRO 91 CO 0.47 0.00 -0.50 0.39 -0.23 0.00 0.00 178.00 178.14 2ka7 n GLU 92 N -2.81 1.28 0.00 0.86 1.02 -1.26 -4.19 120.64 115.53 2ka7 n GLU 92 Ca -0.02 -2.95 0.00 0.00 -0.02 0.00 0.00 57.16 54.17 2ka7 n GLU 92 Cb 0.08 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.91 3.35 0.12 0.62 0.00 -0.56 -4.98 105.19 102.82 2ka7 n GLY 93 Ca 0.16 -0.38 0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.18 -0.12 1.61 -0.58 -1.23 -2.47 120.64 118.02 2ka7 n GLU 94 Ca 0.00 0.42 0.00 0.00 -0.42 0.00 0.00 57.16 57.16 2ka7 n GLU 94 Cb 0.00 -1.85 0.00 0.00 -0.57 0.00 0.00 31.44 29.02 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 -0.07 2.09 3.68 0.62 0.00 0.15 -4.89 105.19 106.78 2ka7 n GLY 95 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 0.02 1.82 -0.01 1.61 1.48 -1.03 -4.26 118.94 118.56 2ka7 s TRP 96 Ca 0.00 1.66 -0.06 0.00 -1.06 0.00 0.00 56.10 56.64 2ka7 s TRP 96 Cb 0.00 -3.25 -0.02 0.00 -1.16 0.00 0.00 33.47 29.04 2ka7 s TRP 96 CO 0.00 -2.70 -0.12 1.28 -4.06 0.00 0.00 176.95 171.35 2ka7 n LEU 97 N -4.15 1.26 0.00 -4.66 4.77 0.97 -4.77 117.00 110.42 2ka7 n LEU 97 Ca 0.10 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.13 2ka7 n LEU 97 Cb 0.53 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 2ka7 n LEU 97 CO 0.51 -0.46 -0.07 2.22 -1.33 0.00 0.00 177.39 178.26 2ka7 n PHE 98 N -3.74 -0.56 -4.03 -1.77 1.16 -1.19 -1.20 117.46 106.14 2ka7 n PHE 98 Ca -0.07 -1.96 -0.18 0.00 -1.87 0.00 0.00 57.45 53.37 2ka7 n PHE 98 Cb 0.25 0.20 -0.16 0.00 -1.61 0.00 0.00 39.48 38.16 2ka7 n PHE 98 CO 0.00 0.00 0.00 0.15 -1.87 0.00 0.00 176.76 175.04 2ka7 s LYS 99 N -2.94 0.51 -0.01 3.97 1.02 -0.08 -0.60 119.74 121.61 2ka7 s LYS 99 Ca 0.28 0.00 0.03 0.00 0.02 0.00 0.00 55.97 56.30 2ka7 s LYS 99 Cb 0.01 -0.62 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 2ka7 s LYS 99 CO 0.20 -0.11 -0.10 0.00 -0.92 0.00 0.00 175.35 174.41 2ka7 s MET 100 N 0.96 0.88 0.39 1.68 0.23 -0.97 -1.22 119.30 121.26 2ka7 s MET 100 Ca -0.11 -0.36 -0.27 0.00 -1.03 0.00 0.00 55.69 53.92 2ka7 s MET 100 Cb -0.14 -0.85 -0.09 0.00 -1.53 0.00 0.00 34.83 32.22 2ka7 s MET 100 CO -0.01 0.20 1.32 -2.00 -2.03 0.00 0.00 175.02 172.50 2ka7 s GLU 101 N -0.16 4.05 0.14 3.16 2.12 0.64 -0.67 118.70 127.97 2ka7 s GLU 101 Ca 0.03 2.20 -0.04 0.00 0.36 0.00 0.00 54.97 57.52 2ka7 s GLU 101 Cb -0.05 -2.83 -0.05 0.00 0.26 0.00 0.00 34.13 31.45 2ka7 s GLU 101 CO -0.00 -0.44 0.36 0.96 -0.54 0.00 0.00 175.26 175.60 2ka7 s ILE 102 N -1.23 5.19 0.00 -3.70 -4.36 -1.26 -2.27 121.20 113.58 2ka7 s ILE 102 Ca 0.55 -0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.94 2ka7 s ILE 102 Cb -0.39 -3.62 0.00 0.00 1.25 0.00 0.00 42.46 39.70 2ka7 s ILE 102 CO 0.51 0.05 0.00 -1.20 0.24 0.00 0.00 174.94 174.54 2ka7 n SER 103 N 0.11 0.49 -3.11 4.36 7.64 -1.26 -4.91 113.62 116.93 2ka7 n SER 103 Ca -0.03 -0.11 -0.19 0.00 1.01 0.00 0.00 58.87 59.55 2ka7 n SER 103 Cb 0.52 0.32 -0.05 0.00 -1.01 0.00 0.00 64.21 63.99 2ka7 n SER 103 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2ka7 n ASP 104 N -0.37 -1.07 0.01 6.43 9.92 -1.26 -4.98 116.55 125.22 2ka7 n ASP 104 Ca 0.00 -2.74 0.05 0.00 -0.53 0.00 0.00 54.79 51.57 2ka7 n ASP 104 Cb 0.00 0.15 0.22 0.00 -0.64 0.00 0.00 41.12 40.85 2ka7 n ASP 104 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 2ka7 n GLU 105 N 2.09 0.01 -0.33 -1.24 2.13 -1.26 -1.86 120.64 120.18 2ka7 n GLU 105 Ca 0.21 0.35 -0.02 0.00 0.66 0.00 0.00 57.16 58.36 2ka7 n GLU 105 Cb 0.54 -1.52 0.14 0.00 0.27 0.00 0.00 31.44 30.87 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 2ka7 h GLY 106 N 1.62 1.30 2.00 8.31 0.00 -2.03 -2.74 103.07 111.54 2ka7 h GLY 106 Ca 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 47.33 46.79 2ka7 h GLY 106 CO 0.00 0.49 -0.17 0.83 0.00 0.00 0.00 176.54 177.69 2ka7 h GLU 107 N 1.25 0.00 -1.09 4.80 4.39 -1.81 -3.09 114.58 119.03 2ka7 h GLU 107 Ca 0.33 0.00 0.30 0.00 0.34 0.00 0.00 59.36 60.33 2ka7 h GLU 107 Cb -0.12 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 28.43 2ka7 h GLU 107 CO -0.07 0.17 0.69 -0.07 -1.16 0.00 0.00 179.01 178.58 2ka7 h LEU 108 N 0.00 0.42 -0.03 1.33 3.38 -1.65 0.72 115.31 119.48 2ka7 h LEU 108 Ca -0.00 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2ka7 h LEU 108 Cb 0.32 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ka7 h LEU 108 CO 0.02 0.02 0.00 -0.33 0.09 0.00 0.00 178.44 178.25 2ka7 h GLU 109 N 0.34 0.00 -0.03 1.13 4.39 -1.74 -2.96 114.58 115.70 2ka7 h GLU 109 Ca 0.65 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.22 2ka7 h GLU 109 Cb 1.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.34 2ka7 h GLU 109 CO -0.35 0.00 -0.58 0.22 -1.16 0.00 0.00 179.01 177.14 2ka7 h ASP 110 N 0.00 0.12 -3.57 1.42 1.82 -1.04 -3.45 116.42 111.72 2ka7 h ASP 110 Ca 0.00 -0.07 -0.45 0.00 -0.39 0.00 0.00 57.03 56.13 2ka7 h ASP 110 Cb 0.82 -0.04 0.19 0.00 0.68 0.00 0.00 39.33 40.98 2ka7 h ASP 110 CO 0.00 0.68 0.10 -0.76 -1.61 0.00 0.00 179.24 177.64 2ka7 s LEU 111 N -7.82 1.23 0.07 2.28 2.01 -1.12 -4.94 118.68 110.38 2ka7 s LEU 111 Ca -0.03 1.39 -0.31 0.00 0.01 0.00 0.00 54.13 55.19 2ka7 s LEU 111 Cb 0.13 -3.43 -0.07 0.00 0.01 0.00 0.00 46.19 42.82 2ka7 s LEU 111 CO 0.77 -3.70 1.47 -0.76 1.01 0.00 0.00 176.35 175.15 2ka7 s LEU 112 N -6.86 4.35 1.26 1.79 2.01 -1.14 -4.90 118.68 115.18 2ka7 s LEU 112 Ca 0.67 2.31 -0.15 0.00 0.01 0.00 0.00 54.13 56.97 2ka7 s LEU 112 Cb -0.22 -3.57 0.32 0.00 0.01 0.00 0.00 46.19 42.72 2ka7 s LEU 112 CO 0.61 -0.75 0.94 0.47 1.01 0.00 0.00 176.35 178.63 2ka7 n ASP 113 N 4.87 -2.41 -0.05 2.29 9.92 -1.26 -1.72 116.55 128.19 2ka7 n ASP 113 Ca 0.13 -0.35 -0.07 0.00 -0.53 0.00 0.00 54.79 53.98 2ka7 n ASP 113 Cb 0.42 -1.18 0.12 0.00 -0.64 0.00 0.00 41.12 39.84 2ka7 n ASP 113 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 2ka7 h GLU 114 N -2.93 0.67 0.11 -1.24 4.81 -1.96 0.39 114.58 114.43 2ka7 h GLU 114 Ca -0.59 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 58.36 2ka7 h GLU 114 Cb 1.34 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2ka7 h GLU 114 CO 0.44 0.86 -0.05 0.37 -0.73 0.00 0.00 179.01 179.90 2ka7 h GLN 115 N 0.58 -0.15 -0.02 1.92 4.15 -2.00 -2.77 115.11 116.84 2ka7 h GLN 115 Ca 0.08 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.47 2ka7 h GLN 115 Cb 0.74 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2ka7 h GLN 115 CO 0.06 0.14 -0.15 0.00 -1.93 0.00 0.00 178.83 176.95 2ka7 h ALA 116 N 0.41 1.72 0.22 3.38 0.00 -1.78 -0.59 119.26 122.62 2ka7 h ALA 116 Ca -0.02 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2ka7 h ALA 116 Cb 0.36 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2ka7 h ALA 116 CO 0.03 0.21 -0.11 -0.92 0.00 0.00 0.00 179.25 178.46 2ka7 h TYR 117 N 0.02 -0.28 -0.93 0.00 3.20 -0.25 -0.82 116.97 117.92 2ka7 h TYR 117 Ca 0.00 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 61.96 2ka7 h TYR 117 Cb 0.29 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.57 2ka7 h TYR 117 CO 0.00 -0.11 0.57 -0.56 -1.64 0.00 0.00 178.16 176.42 2ka7 h GLN 118 N -0.38 0.92 -0.54 1.82 3.07 -1.02 -0.41 115.11 118.58 2ka7 h GLN 118 Ca -0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 58.65 58.57 2ka7 h GLN 118 Cb 0.29 -0.21 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 2ka7 h GLN 118 CO 0.05 0.61 0.02 1.49 0.09 0.00 0.00 178.83 181.09 2ka7 h GLU 119 N 0.95 0.94 0.10 0.06 4.81 -0.80 -0.61 114.58 120.03 2ka7 h GLU 119 Ca 0.44 -0.29 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 2ka7 h GLU 119 Cb 0.37 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2ka7 h GLU 119 CO -0.24 0.94 -0.05 0.35 -0.73 0.00 0.00 179.01 179.29 2ka7 h PHE 120 N 0.82 -0.13 0.00 0.92 3.57 -0.76 -3.10 116.94 118.26 2ka7 h PHE 120 Ca 0.16 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 2ka7 h PHE 120 Cb 0.50 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2ka7 h PHE 120 CO 0.04 0.26 0.00 0.00 -2.23 0.00 0.00 178.31 176.38 2ka7 n ALA 122 N -0.14 3.05 0.18 0.00 0.00 -0.25 -4.67 120.51 118.68 2ka7 n ALA 122 Ca 0.00 -0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.12 2ka7 n ALA 122 Cb 0.08 -0.48 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 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 -1.69 3.13 0.00 0.00 10.64 0.30 -5.09 117.38 124.68 2ka7 n GLN 123 Ca -0.00 -0.02 0.03 0.00 -1.83 0.00 0.00 57.00 55.18 2ka7 n GLN 123 Cb 0.30 -0.93 0.19 0.00 -0.86 0.00 0.00 30.24 28.93 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32