#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 -2.61 -3.85 0.03 5.02 -1.26 -5.11 118.16 110.38 2ka7 n LYS 2 Ca 0.00 1.88 -0.05 0.00 -2.02 0.00 0.00 58.31 58.12 2ka7 n LYS 2 Cb 0.00 -2.08 0.02 0.00 -0.02 0.00 0.00 35.03 32.95 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 -3.09 1.59 -0.44 1.97 0.23 -0.66 -5.02 119.30 113.87 2ka7 s MET 3 Ca 0.00 -1.02 0.07 0.00 -1.03 0.00 0.00 55.69 53.72 2ka7 s MET 3 Cb 0.00 0.45 0.29 0.00 -1.53 0.00 0.00 34.83 34.04 2ka7 s MET 3 CO 0.00 -0.75 0.88 0.36 -2.03 0.00 0.00 175.02 173.49 2ka7 n LYS 4 N -0.63 0.88 -0.70 3.16 -0.00 -1.26 -0.35 118.16 119.26 2ka7 n LYS 4 Ca -0.05 -2.31 -0.27 0.00 -0.00 0.00 0.00 58.31 55.69 2ka7 n LYS 4 Cb 0.60 -1.32 0.23 0.00 -0.00 0.00 0.00 35.03 34.54 2ka7 n LYS 4 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2ka7 n LYS 5 N 0.95 -3.39 -4.04 -1.58 4.01 -1.24 -4.56 118.16 108.30 2ka7 n LYS 5 Ca 0.13 -1.46 -0.12 0.00 -0.51 0.00 0.00 58.31 56.34 2ka7 n LYS 5 Cb 0.64 -1.51 -0.11 0.00 -0.51 0.00 0.00 35.03 33.54 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 -2.51 0.56 0.58 2.13 1.51 -1.01 -0.50 117.35 118.10 2ka7 s TYR 6 Ca 0.61 -0.48 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 2ka7 s TYR 6 Cb -0.07 -0.34 0.05 0.00 -0.11 0.00 0.00 41.96 41.48 2ka7 s TYR 6 CO 0.48 -0.10 0.81 0.95 -1.11 0.00 0.00 175.55 176.58 2ka7 s THR 7 N -1.32 2.58 0.23 -0.71 -4.23 -0.18 -2.03 115.64 109.97 2ka7 s THR 7 Ca -0.11 -0.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.78 2ka7 s THR 7 Cb -0.10 -2.92 -0.05 0.00 1.34 0.00 0.00 72.50 70.77 2ka7 s THR 7 CO 0.00 0.00 1.54 0.11 -0.54 0.00 0.00 174.62 175.73 2ka7 h LYS 8 N -0.02 0.29 -1.68 3.99 1.57 -1.97 -3.34 116.57 115.42 2ka7 h LYS 8 Ca -0.41 -0.20 -0.38 0.00 -1.87 0.00 0.00 60.65 57.78 2ka7 h LYS 8 Cb 1.29 0.03 -0.15 0.00 0.08 0.00 0.00 32.23 33.48 2ka7 h LYS 8 CO 0.50 0.81 0.40 0.25 -0.57 0.00 0.00 179.45 180.84 2ka7 n THR 9 N -3.88 2.98 -4.01 -0.16 -2.24 -1.26 -4.86 114.28 100.85 2ka7 n THR 9 Ca -0.03 -2.11 -0.28 0.00 -2.27 0.00 0.00 64.05 59.36 2ka7 n THR 9 Cb 0.62 -1.44 -0.02 0.00 -2.10 0.00 0.00 70.33 67.40 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 0.55 -1.74 -4.43 4.78 1.44 -1.25 -4.72 115.22 109.85 2ka7 n HIS 10 Ca 0.37 0.78 -0.24 0.00 -2.01 0.00 0.00 57.72 56.62 2ka7 n HIS 10 Cb 0.58 -3.58 -0.11 0.00 0.12 0.00 0.00 29.99 27.00 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 -6.64 1.56 0.31 -1.40 2.02 -1.26 -1.15 118.70 112.13 2ka7 s GLU 11 Ca 0.25 -1.66 0.08 0.00 0.02 0.00 0.00 54.97 53.67 2ka7 s GLU 11 Cb -0.14 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.39 2ka7 s GLU 11 CO 0.89 0.32 0.18 1.67 0.02 0.00 0.00 175.26 178.34 2ka7 s TRP 12 N -2.33 2.86 0.07 1.61 1.48 -0.34 -1.01 118.94 121.27 2ka7 s TRP 12 Ca 0.26 -0.27 0.02 0.00 -1.06 0.00 0.00 56.10 55.04 2ka7 s TRP 12 Cb -0.05 -1.57 -0.03 0.00 -1.16 0.00 0.00 33.47 30.66 2ka7 s TRP 12 CO 0.12 0.37 -0.07 0.08 -4.06 0.00 0.00 176.95 173.39 2ka7 s VAL 13 N -2.31 0.58 -0.42 -0.66 1.01 0.35 -3.23 120.40 115.72 2ka7 s VAL 13 Ca 0.37 -1.47 0.04 0.00 0.00 0.00 0.00 61.98 60.92 2ka7 s VAL 13 Cb -0.05 -1.10 0.17 0.00 0.00 0.00 0.00 36.38 35.40 2ka7 s VAL 13 CO 0.24 -0.62 0.40 -0.44 0.00 0.00 0.00 175.10 174.68 2ka7 s SER 14 N -2.26 1.00 -0.30 3.32 0.01 -0.35 -3.67 113.70 111.45 2ka7 s SER 14 Ca -0.00 -2.79 -0.29 0.00 1.31 0.00 0.00 55.95 54.18 2ka7 s SER 14 Cb -0.03 -0.04 0.01 0.00 0.21 0.00 0.00 66.02 66.18 2ka7 s SER 14 CO -0.02 -0.16 1.04 -0.63 0.41 0.00 0.00 173.24 173.88 2ka7 s ILE 15 N 0.26 4.57 0.00 1.44 1.01 0.53 -1.82 121.20 127.20 2ka7 s ILE 15 Ca 0.32 1.76 0.00 0.00 0.00 0.00 0.00 60.65 62.72 2ka7 s ILE 15 Cb 0.02 -4.37 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2ka7 s ILE 15 CO -0.16 -0.39 0.00 -1.84 0.00 0.00 0.00 174.94 172.54 2ka7 n GLU 16 N 6.69 0.00 0.07 2.79 0.28 -1.15 -1.65 120.64 127.67 2ka7 n GLU 16 Ca 0.11 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.08 2ka7 n GLU 16 Cb 0.47 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.32 2ka7 n GLU 16 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 2ka7 h ASP 17 N 0.00 -0.20 0.00 -1.84 3.58 -2.00 -3.37 116.42 112.59 2ka7 h ASP 17 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2ka7 h ASP 17 Cb 0.00 0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.10 2ka7 h ASP 17 CO 0.00 0.07 0.00 0.29 -2.88 0.00 0.00 179.24 176.72 2ka7 n LYS 18 N -3.80 0.00 -4.40 0.28 5.02 -1.26 -4.94 118.16 109.07 2ka7 n LYS 18 Ca -0.03 -0.14 -0.26 0.00 -2.02 0.00 0.00 58.31 55.86 2ka7 n LYS 18 Cb 0.09 -0.16 -0.17 0.00 -0.02 0.00 0.00 35.03 34.78 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 0.00 1.21 0.08 -0.18 1.01 -1.26 -1.37 120.40 119.89 2ka7 s VAL 19 Ca 0.00 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.34 2ka7 s VAL 19 Cb 0.00 -1.13 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 2ka7 s VAL 19 CO 0.00 0.38 0.52 0.00 0.00 0.00 0.00 175.10 176.00 2ka7 s ALA 20 N 0.99 3.62 0.31 5.51 0.00 0.28 -2.94 121.76 129.53 2ka7 s ALA 20 Ca -0.08 -0.09 -0.11 0.00 0.00 0.00 0.00 51.96 51.68 2ka7 s ALA 20 Cb -0.15 -2.53 -0.07 0.00 0.00 0.00 0.00 23.12 20.37 2ka7 s ALA 20 CO -0.00 0.44 0.67 0.99 0.00 0.00 0.00 175.76 177.86 2ka7 s THR 21 N -1.23 4.81 0.01 0.00 2.01 -0.75 -0.92 115.64 119.56 2ka7 s THR 21 Ca 0.31 0.64 0.02 0.00 0.31 0.00 0.00 61.69 62.96 2ka7 s THR 21 Cb -0.17 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 2ka7 s THR 21 CO 0.18 -0.25 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.11 2ka7 s VAL 22 N -2.05 0.43 0.28 3.82 1.01 -0.53 -1.22 120.40 122.14 2ka7 s VAL 22 Ca 0.50 -0.41 -0.19 0.00 0.00 0.00 0.00 61.98 61.88 2ka7 s VAL 22 Cb -0.11 -0.40 0.02 0.00 0.00 0.00 0.00 36.38 35.90 2ka7 s VAL 22 CO 0.23 -0.00 0.68 -0.83 0.00 0.00 0.00 175.10 175.18 2ka7 s GLY 23 N -0.46 0.05 0.50 4.51 0.00 -1.20 -1.30 107.32 109.43 2ka7 s GLY 23 Ca -0.01 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 44.09 2ka7 s GLY 23 CO -0.00 -0.20 1.01 -0.26 0.00 0.00 0.00 173.10 173.65 2ka7 s ILE 24 N -3.87 4.14 0.83 0.90 -4.36 -1.26 -1.20 121.20 116.38 2ka7 s ILE 24 Ca 0.13 1.19 -0.12 0.00 -0.26 0.00 0.00 60.65 61.59 2ka7 s ILE 24 Cb -0.05 -3.55 0.10 0.00 1.25 0.00 0.00 42.46 40.22 2ka7 s ILE 24 CO 0.08 -0.43 1.19 0.42 0.24 0.00 0.00 174.94 176.44 2ka7 s THR 25 N -2.29 2.03 0.62 8.37 -4.23 -0.30 -4.45 115.64 115.38 2ka7 s THR 25 Ca 0.63 -0.04 0.40 0.00 -1.18 0.00 0.00 61.69 61.50 2ka7 s THR 25 Cb -0.13 -2.99 0.42 0.00 1.34 0.00 0.00 72.50 71.14 2ka7 s THR 25 CO 0.24 0.00 2.32 -1.13 -0.54 0.00 0.00 174.62 175.52 2ka7 h ASN 26 N -1.12 0.00 0.24 3.99 -0.00 -1.90 0.47 115.58 117.26 2ka7 h ASN 26 Ca -0.45 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 55.77 2ka7 h ASN 26 Cb 1.31 0.00 -0.01 0.00 -0.00 0.00 0.00 38.32 39.62 2ka7 h ASN 26 CO 0.59 0.00 -0.32 -0.74 -0.00 0.00 0.00 177.43 176.97 2ka7 h HIS 27 N 0.00 0.14 0.18 0.67 2.76 -1.93 -3.30 115.15 113.67 2ka7 h HIS 27 Ca -0.00 -0.03 -0.26 0.00 -2.20 0.00 0.00 60.37 57.88 2ka7 h HIS 27 Cb 0.03 -0.04 0.02 0.00 1.55 0.00 0.00 27.41 28.98 2ka7 h HIS 27 CO 0.00 0.44 -1.17 0.00 -1.30 0.00 0.00 177.93 175.90 2ka7 h ALA 28 N 1.56 -0.06 -0.09 5.26 0.00 -1.19 -3.14 119.26 121.60 2ka7 h ALA 28 Ca 0.01 -0.83 0.02 0.00 0.00 0.00 0.00 54.91 54.12 2ka7 h ALA 28 Cb 0.63 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ka7 h ALA 28 CO 0.05 0.58 0.20 -0.56 0.00 0.00 0.00 179.25 179.52 2ka7 h GLN 29 N -0.17 0.00 -0.26 0.00 -0.00 -1.64 -2.31 115.11 110.73 2ka7 h GLN 29 Ca -0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.40 2ka7 h GLN 29 Cb 1.86 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.33 2ka7 h GLN 29 CO 0.18 0.00 0.03 1.05 -0.00 0.00 0.00 178.83 180.10 2ka7 h GLU 30 N 0.00 0.43 0.00 0.06 4.11 -1.62 0.14 114.58 117.70 2ka7 h GLU 30 Ca 0.04 -0.12 -0.17 0.00 0.07 0.00 0.00 59.36 59.18 2ka7 h GLU 30 Cb 0.45 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2ka7 h GLU 30 CO -0.00 0.56 -0.86 1.96 0.07 0.00 0.00 179.01 180.74 2ka7 h GLN 31 N 0.24 0.00 0.08 1.06 1.08 -1.55 -3.31 115.11 112.71 2ka7 h GLN 31 Ca 0.08 0.00 -0.18 0.00 -1.45 0.00 0.00 58.65 57.09 2ka7 h GLN 31 Cb 0.35 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2ka7 h GLN 31 CO 0.01 0.74 -0.77 -0.07 -0.95 0.00 0.00 178.83 177.79 2ka7 h LEU 32 N 0.00 0.54 0.00 1.46 -0.00 -1.35 -3.46 115.31 112.50 2ka7 h LEU 32 Ca -0.03 -0.86 0.00 0.00 -0.00 0.00 0.00 57.88 56.99 2ka7 h LEU 32 Cb 1.62 -0.17 0.00 0.00 -0.00 0.00 0.00 40.66 42.11 2ka7 h LEU 32 CO 0.10 1.34 0.00 0.61 -0.00 0.00 0.00 178.44 180.49 2ka7 n GLY 33 N 1.39 0.68 3.52 0.83 0.00 0.48 -4.36 105.19 107.73 2ka7 n GLY 33 Ca -0.12 -0.73 -0.57 0.00 0.00 0.00 0.00 46.02 44.60 2ka7 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka7 n ASP 34 N -2.02 1.81 -4.83 1.61 8.00 -1.26 -4.81 116.55 115.05 2ka7 n ASP 34 Ca 0.00 0.79 -0.25 0.00 0.71 0.00 0.00 54.79 56.04 2ka7 n ASP 34 Cb 0.00 -1.09 -0.04 0.00 -0.02 0.00 0.00 41.12 39.96 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2ka7 s VAL 35 N 5.24 2.12 0.00 2.53 0.11 -1.26 -1.82 120.40 127.33 2ka7 s VAL 35 Ca 1.08 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2ka7 s VAL 35 Cb -1.15 -2.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.02 2ka7 s VAL 35 CO 0.62 0.00 0.00 1.33 -3.33 0.00 0.00 175.10 173.72 2ka7 n VAL 36 N -1.49 0.00 -3.78 2.04 0.24 -1.25 -3.96 118.33 110.13 2ka7 n VAL 36 Ca -0.01 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 2ka7 n VAL 36 Cb 0.64 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.90 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 -0.37 -0.26 -0.03 6.34 5.04 -0.93 -4.88 117.35 122.25 2ka7 s TYR 37 Ca 0.00 0.62 0.01 0.00 -2.44 0.00 0.00 57.07 55.27 2ka7 s TYR 37 Cb 0.00 0.09 0.01 0.00 0.35 0.00 0.00 41.96 42.42 2ka7 s TYR 37 CO 0.00 -0.19 -0.05 0.14 -1.34 0.00 0.00 175.55 174.11 2ka7 s VAL 38 N -0.16 0.56 0.23 3.14 -7.23 -1.26 -2.55 120.40 113.12 2ka7 s VAL 38 Ca -0.03 -0.18 -0.30 0.00 -1.81 0.00 0.00 61.98 59.66 2ka7 s VAL 38 Cb -0.03 -0.55 -0.09 0.00 0.56 0.00 0.00 36.38 36.28 2ka7 s VAL 38 CO 0.01 0.21 1.12 -0.62 -0.31 0.00 0.00 175.10 175.51 2ka7 s ASP 39 N 0.61 7.24 -0.05 4.85 2.15 0.48 -4.85 116.67 127.10 2ka7 s ASP 39 Ca -0.08 2.20 0.02 0.00 0.43 0.00 0.00 52.55 55.12 2ka7 s ASP 39 Cb -0.12 -2.62 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 2ka7 s ASP 39 CO 0.00 -0.21 -0.09 -0.76 -0.17 0.00 0.00 175.17 173.94 2ka7 s LEU 40 N -0.85 1.58 1.10 -1.34 1.43 -1.26 -4.07 118.68 115.27 2ka7 s LEU 40 Ca 0.48 -0.21 -0.19 0.00 -1.03 0.00 0.00 54.13 53.18 2ka7 s LEU 40 Cb -0.31 -0.63 0.26 0.00 0.03 0.00 0.00 46.19 45.54 2ka7 s LEU 40 CO 0.38 0.01 1.25 -2.16 0.23 0.00 0.00 176.35 176.07 2ka7 s PRO 41 N 0.62 -0.47 0.51 1.29 0.04 -1.23 -5.02 135.00 130.74 2ka7 s PRO 41 Ca -0.11 -0.39 -0.12 0.00 0.04 0.00 0.00 61.00 60.43 2ka7 s PRO 41 Cb -0.14 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 2ka7 s PRO 41 CO 0.02 -3.16 0.92 -2.00 0.04 0.00 0.00 177.00 172.82 2ka7 s GLU 42 N -5.77 3.76 -0.09 4.56 2.56 -1.26 -4.95 118.70 117.51 2ka7 s GLU 42 Ca 0.75 0.69 0.06 0.00 0.00 0.00 0.00 54.97 56.46 2ka7 s GLU 42 Cb -0.04 -2.21 0.33 0.00 2.00 0.00 0.00 34.13 34.20 2ka7 s GLU 42 CO 0.55 -0.29 1.02 1.55 -0.56 0.00 0.00 175.26 177.53 2ka7 n VAL 43 N -1.92 1.06 -2.29 3.70 3.14 -1.26 -3.27 118.33 117.48 2ka7 n VAL 43 Ca 0.05 -0.55 -0.04 0.00 -2.96 0.00 0.00 64.34 60.84 2ka7 n VAL 43 Cb 0.54 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.96 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 0.31 1.07 3.61 7.55 0.00 -1.02 -3.89 105.19 112.81 2ka7 n GLY 44 Ca 0.11 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.17 3.48 0.59 1.61 3.52 -1.20 -4.87 118.95 121.92 2ka7 s ARG 45 Ca 0.08 -0.43 -0.18 0.00 -0.13 0.00 0.00 55.73 55.06 2ka7 s ARG 45 Cb 0.19 -2.94 -0.03 0.00 -1.56 0.00 0.00 34.95 30.60 2ka7 s ARG 45 CO -0.06 0.43 1.18 -1.21 -0.81 0.00 0.00 175.30 174.83 2ka7 s GLU 46 N -0.13 3.00 0.17 5.12 2.02 -1.26 -0.49 118.70 127.13 2ka7 s GLU 46 Ca 0.04 1.73 -0.03 0.00 0.02 0.00 0.00 54.97 56.73 2ka7 s GLU 46 Cb -0.13 -1.94 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 2ka7 s GLU 46 CO 0.02 -1.16 0.15 0.14 0.02 0.00 0.00 175.26 174.43 2ka7 s VAL 47 N -1.73 0.06 0.42 2.63 -7.23 0.25 -4.87 120.40 109.93 2ka7 s VAL 47 Ca 0.75 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.18 2ka7 s VAL 47 Cb -0.28 -2.16 -0.06 0.00 0.56 0.00 0.00 36.38 34.44 2ka7 s VAL 47 CO 0.33 -0.26 0.10 -0.54 -0.31 0.00 0.00 175.10 174.42 2ka7 s LYS 48 N -4.07 2.10 0.00 4.82 -0.14 -1.26 -1.76 119.74 119.44 2ka7 s LYS 48 Ca 0.27 -1.99 0.03 0.00 -1.36 0.00 0.00 55.97 52.92 2ka7 s LYS 48 Cb 0.06 -1.81 0.17 0.00 -1.68 0.00 0.00 37.83 34.57 2ka7 s LYS 48 CO 0.05 -0.11 0.49 0.36 -0.76 0.00 0.00 175.35 175.39 2ka7 n LYS 49 N -1.13 0.26 -2.78 1.68 -0.00 -1.23 -2.72 118.16 112.25 2ka7 n LYS 49 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.18 2ka7 n LYS 49 Cb 0.66 -1.17 0.08 0.00 -0.00 0.00 0.00 35.03 34.60 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 -0.32 0.99 3.38 2.58 0.00 -0.98 -4.40 105.19 106.44 2ka7 n GLY 50 Ca 0.02 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2ka7 n GLY 50 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ka7 s GLU 51 N -0.06 3.20 0.00 1.61 2.56 -1.10 -4.70 118.70 120.21 2ka7 s GLU 51 Ca 0.24 -0.79 0.00 0.00 0.00 0.00 0.00 54.97 54.42 2ka7 s GLU 51 Cb 0.31 -3.44 0.00 0.00 2.00 0.00 0.00 34.13 33.00 2ka7 s GLU 51 CO -0.06 -0.42 0.67 1.55 -0.56 0.00 0.00 175.26 176.44 2ka7 n VAL 52 N 4.91 0.67 1.26 3.70 3.14 -1.25 -0.70 118.33 130.07 2ka7 n VAL 52 Ca -0.14 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 2ka7 n VAL 52 Cb 0.49 -0.91 0.00 0.00 -1.06 0.00 0.00 33.84 32.35 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 1.05 0.00 -2.73 1.55 0.24 -1.21 -3.57 118.33 113.65 2ka7 n VAL 53 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.21 2ka7 n VAL 53 Cb 0.26 -0.18 0.07 0.00 -1.47 0.00 0.00 33.84 32.51 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 -0.50 2.02 -0.98 2.33 0.00 -1.26 -3.49 120.51 118.64 2ka7 n ALA 54 Ca 0.00 -2.26 -0.33 0.00 0.00 0.00 0.00 53.44 50.84 2ka7 n ALA 54 Cb 0.00 -0.98 0.13 0.00 0.00 0.00 0.00 19.45 18.60 2ka7 n ALA 54 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ka7 n SER 55 N -0.21 0.11 -3.74 0.00 2.88 -1.23 -3.98 113.62 107.45 2ka7 n SER 55 Ca 0.05 0.51 -0.28 0.00 -1.33 0.00 0.00 58.87 57.82 2ka7 n SER 55 Cb 0.81 -1.42 -0.16 0.00 -0.75 0.00 0.00 64.21 62.69 2ka7 n SER 55 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ka7 s ILE 56 N -2.26 0.64 -0.31 2.46 1.01 -0.21 -0.39 121.20 122.15 2ka7 s ILE 56 Ca 0.68 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 60.46 2ka7 s ILE 56 Cb -0.27 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.97 2ka7 s ILE 56 CO 0.56 -0.30 0.19 -1.61 0.00 0.00 0.00 174.94 173.78 2ka7 s GLU 57 N 1.79 3.62 0.00 2.79 2.02 -1.06 -0.70 118.70 127.16 2ka7 s GLU 57 Ca 0.01 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.45 2ka7 s GLU 57 Cb -0.17 -3.67 0.00 0.00 0.10 0.00 0.00 34.13 30.39 2ka7 s GLU 57 CO -0.12 -0.33 0.00 -1.13 0.02 0.00 0.00 175.26 173.70 2ka7 n SER 58 N 5.05 0.00 -0.31 -0.19 3.41 -0.06 -2.18 113.62 119.33 2ka7 n SER 58 Ca -0.14 0.00 0.16 0.00 -0.26 0.00 0.00 58.87 58.64 2ka7 n SER 58 Cb 0.50 0.00 0.34 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.00 0.20 0.00 -3.33 -1.51 -1.56 -3.38 116.25 106.68 2ka7 h VAL 59 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.42 2ka7 h VAL 59 Cb 0.00 0.05 0.00 0.00 -2.13 0.00 0.00 31.29 29.21 2ka7 h VAL 59 CO 0.00 0.03 -0.01 1.17 -1.23 0.00 0.00 177.57 177.52 2ka7 n LYS 60 N -5.28 0.00 -3.65 5.19 4.81 -1.26 -5.14 118.16 112.84 2ka7 n LYS 60 Ca 0.25 -0.05 -0.23 0.00 -0.87 0.00 0.00 58.31 57.41 2ka7 n LYS 60 Cb 0.80 -0.04 -0.02 0.00 0.02 0.00 0.00 35.03 35.79 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 3.80 -0.35 3.14 0.00 -1.26 -5.09 121.76 122.01 2ka7 s ALA 61 Ca 0.00 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.94 2ka7 s ALA 61 Cb 0.00 -1.95 0.11 0.00 0.00 0.00 0.00 23.12 21.28 2ka7 s ALA 61 CO 0.00 0.14 0.14 0.00 0.00 0.00 0.00 175.76 176.05 2ka7 s ALA 62 N -2.12 1.61 -0.49 0.00 0.00 -1.25 -0.88 121.76 118.62 2ka7 s ALA 62 Ca 0.37 -1.90 -0.21 0.00 0.00 0.00 0.00 51.96 50.22 2ka7 s ALA 62 Cb -0.10 -1.68 0.04 0.00 0.00 0.00 0.00 23.12 21.38 2ka7 s ALA 62 CO 0.32 -1.81 0.74 0.00 0.00 0.00 0.00 175.76 175.02 2ka7 s ALA 63 N 1.27 3.30 -0.05 0.00 0.00 0.12 -4.90 121.76 121.50 2ka7 s ALA 63 Ca 0.12 -1.36 -0.30 0.00 0.00 0.00 0.00 51.96 50.42 2ka7 s ALA 63 Cb -0.20 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.38 2ka7 s ALA 63 CO -0.17 -2.04 2.04 -0.25 0.00 0.00 0.00 175.76 175.34 2ka7 n ASP 64 N 6.62 3.84 -4.40 0.00 9.92 -1.26 -1.04 116.55 130.23 2ka7 n ASP 64 Ca -0.02 0.72 -0.44 0.00 -0.53 0.00 0.00 54.79 54.52 2ka7 n ASP 64 Cb 0.47 -1.52 -0.06 0.00 -0.64 0.00 0.00 41.12 39.37 2ka7 n ASP 64 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2ka7 s VAL 65 N 5.46 5.01 -0.64 2.53 1.01 -1.26 -4.98 120.40 127.55 2ka7 s VAL 65 Ca 0.93 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 61.84 2ka7 s VAL 65 Cb -0.44 -4.29 0.11 0.00 0.00 0.00 0.00 36.38 31.76 2ka7 s VAL 65 CO 0.41 -0.81 0.75 -0.31 0.00 0.00 0.00 175.10 175.14 2ka7 s TYR 66 N 2.22 3.05 0.01 5.22 2.02 -1.26 -3.34 117.35 125.27 2ka7 s TYR 66 Ca 0.10 -1.06 -0.23 0.00 -0.37 0.00 0.00 57.07 55.51 2ka7 s TYR 66 Cb -0.23 -4.03 -0.12 0.00 -0.40 0.00 0.00 41.96 37.18 2ka7 s TYR 66 CO 0.08 -1.30 0.60 0.00 -1.57 0.00 0.00 175.55 173.36 2ka7 n ALA 67 N 6.23 -2.35 0.19 3.71 0.00 0.12 -4.34 120.51 124.07 2ka7 n ALA 67 Ca -0.05 0.35 0.03 0.00 0.00 0.00 0.00 53.44 53.77 2ka7 n ALA 67 Cb 0.43 -1.04 0.39 0.00 0.00 0.00 0.00 19.45 19.23 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 1.67 0.00 -3.64 0.00 0.13 -1.81 -2.61 132.00 125.74 2ka7 h PRO 68 Ca -0.29 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.76 2ka7 h PRO 68 Cb 0.85 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 31.83 2ka7 h PRO 68 CO 0.38 0.34 -0.31 -0.51 -0.23 0.00 0.00 178.00 177.67 2ka7 s LEU 69 N -8.17 1.19 0.47 1.56 1.43 -1.26 -4.67 118.68 109.23 2ka7 s LEU 69 Ca -0.03 -0.50 -0.23 0.00 -1.03 0.00 0.00 54.13 52.34 2ka7 s LEU 69 Cb 0.14 1.19 -0.07 0.00 0.03 0.00 0.00 46.19 47.48 2ka7 s LEU 69 CO 0.72 -0.71 1.25 -0.44 0.23 0.00 0.00 176.35 177.39 2ka7 s SER 70 N -2.64 5.98 0.00 2.29 0.01 -1.26 -3.56 113.70 114.52 2ka7 s SER 70 Ca 0.02 2.51 0.00 0.00 1.31 0.00 0.00 55.95 59.79 2ka7 s SER 70 Cb 0.03 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.64 2ka7 s SER 70 CO -0.09 -1.06 0.00 0.61 0.41 0.00 0.00 173.24 173.11 2ka7 n GLY 71 N 0.58 -1.13 3.01 3.44 0.00 -0.72 -3.24 105.19 107.13 2ka7 n GLY 71 Ca 0.07 -1.08 -0.24 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.48 1.53 0.37 1.61 2.20 -1.02 -0.58 119.74 122.37 2ka7 s LYS 72 Ca 0.00 -0.38 -0.28 0.00 -0.36 0.00 0.00 55.97 54.95 2ka7 s LYS 72 Cb 0.00 -1.30 -0.10 0.00 -1.51 0.00 0.00 37.83 34.92 2ka7 s LYS 72 CO 0.00 0.04 1.39 0.42 -0.36 0.00 0.00 175.35 176.84 2ka7 s ILE 73 N 0.60 2.38 0.00 5.43 -1.09 0.35 0.04 121.20 128.92 2ka7 s ILE 73 Ca -0.12 0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 2ka7 s ILE 73 Cb -0.15 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2ka7 s ILE 73 CO 0.03 0.08 0.00 1.33 -1.23 0.00 0.00 174.94 175.15 2ka7 n VAL 74 N 0.51 0.00 -3.82 2.92 0.24 -0.33 -2.45 118.33 115.40 2ka7 n VAL 74 Ca 0.01 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.22 2ka7 n VAL 74 Cb 0.41 1.20 -0.07 0.00 -1.47 0.00 0.00 33.84 33.91 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 0.85 0.06 7.34 2.12 -1.02 -4.94 118.70 123.11 2ka7 s GLU 75 Ca 0.00 -0.84 -0.04 0.00 0.36 0.00 0.00 54.97 54.45 2ka7 s GLU 75 Cb 0.00 0.35 -0.02 0.00 0.26 0.00 0.00 34.13 34.72 2ka7 s GLU 75 CO 0.00 -0.27 0.05 0.14 -0.54 0.00 0.00 175.26 174.63 2ka7 s VAL 76 N -3.55 0.18 -0.91 3.70 -7.23 -1.26 -0.78 120.40 110.55 2ka7 s VAL 76 Ca 0.02 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.72 2ka7 s VAL 76 Cb 0.03 -1.28 0.26 0.00 0.56 0.00 0.00 36.38 35.96 2ka7 s VAL 76 CO -0.09 -0.81 1.04 -3.20 -0.31 0.00 0.00 175.10 171.73 2ka7 n ASN 77 N 0.29 4.94 0.05 4.85 5.15 -0.08 -4.89 115.26 125.56 2ka7 n ASN 77 Ca -0.16 -3.30 0.04 0.00 -0.60 0.00 0.00 54.58 50.55 2ka7 n ASN 77 Cb 0.60 -1.05 0.18 0.00 -0.53 0.00 0.00 39.78 38.99 2ka7 n ASN 77 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2ka7 n GLU 78 N 1.61 0.04 -0.32 1.20 1.02 -1.26 -1.18 120.64 121.75 2ka7 n GLU 78 Ca 0.25 0.53 0.19 0.00 -0.02 0.00 0.00 57.16 58.11 2ka7 n GLU 78 Cb 0.37 -1.63 0.39 0.00 -0.02 0.00 0.00 31.44 30.54 2ka7 n GLU 78 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2ka7 h LYS 79 N 0.00 0.24 0.00 3.49 1.79 -1.95 -1.88 116.57 118.27 2ka7 h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2ka7 h LYS 79 Cb 0.02 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2ka7 h LYS 79 CO 0.00 0.16 0.00 1.28 -1.08 0.00 0.00 179.45 179.81 2ka7 n LEU 80 N -5.15 0.32 0.04 2.94 7.99 -0.32 -0.89 117.00 121.91 2ka7 n LEU 80 Ca 0.27 0.57 0.07 0.00 -0.01 0.00 0.00 56.01 56.90 2ka7 n LEU 80 Cb 0.84 -0.51 0.31 0.00 -0.11 0.00 0.00 43.42 43.95 2ka7 n LEU 80 CO 0.07 -0.32 0.72 -0.67 -1.51 0.00 0.00 177.39 175.68 2ka7 n ASP 81 N -1.84 0.17 0.00 -1.43 2.03 -0.71 -2.86 116.55 111.91 2ka7 n ASP 81 Ca 0.04 0.55 0.00 0.00 0.52 0.00 0.00 54.79 55.90 2ka7 n ASP 81 Cb 0.24 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.06 2ka7 n ASP 81 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2ka7 n THR 82 N -1.69 0.00 -3.59 5.18 -2.24 -0.11 -4.88 114.28 106.95 2ka7 n THR 82 Ca 0.02 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.53 2ka7 n THR 82 Cb 0.14 -0.30 -0.09 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.64 2.16 -0.06 -0.78 -0.58 -0.07 -4.91 120.64 114.76 2ka7 n GLU 83 Ca 0.00 -4.52 -0.14 0.00 -0.42 0.00 0.00 57.16 52.08 2ka7 n GLU 83 Cb 0.22 -2.22 -0.06 0.00 -0.57 0.00 0.00 31.44 28.81 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 4.64 0.56 0.00 3.49 0.13 -1.76 -3.23 132.00 135.82 2ka7 h PRO 84 Ca 0.18 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2ka7 h PRO 84 Cb 0.71 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2ka7 h PRO 84 CO 0.77 0.94 0.11 0.39 -0.23 0.00 0.00 178.00 179.98 2ka7 n GLU 85 N -4.33 0.03 0.27 0.86 1.02 -1.25 -2.77 120.64 114.47 2ka7 n GLU 85 Ca -0.06 0.46 0.16 0.00 -0.02 0.00 0.00 57.16 57.70 2ka7 n GLU 85 Cb 0.48 -1.72 0.87 0.00 -0.02 0.00 0.00 31.44 31.05 2ka7 n GLU 85 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2ka7 h LEU 86 N 0.00 0.00 -1.21 -4.62 6.46 -1.94 0.31 115.31 114.31 2ka7 h LEU 86 Ca 0.00 0.00 0.16 0.00 -0.12 0.00 0.00 57.88 57.92 2ka7 h LEU 86 Cb 0.22 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.07 2ka7 h LEU 86 CO 0.00 0.00 0.60 0.40 -0.62 0.00 0.00 178.44 178.82 2ka7 h ILE 87 N 0.00 0.79 -0.07 4.05 1.08 -1.79 -0.11 117.51 121.46 2ka7 h ILE 87 Ca 0.00 -0.24 -0.02 0.00 -0.39 0.00 0.00 64.86 64.21 2ka7 h ILE 87 Cb 0.23 0.01 -0.00 0.00 -3.07 0.00 0.00 36.82 34.00 2ka7 h ILE 87 CO 0.00 0.13 -0.03 0.78 -0.69 0.00 0.00 178.15 178.34 2ka7 h ASN 88 N 0.71 0.15 1.04 1.72 2.35 -0.66 -3.09 115.58 117.80 2ka7 h ASN 88 Ca 0.49 -0.40 -0.15 0.00 -0.55 0.00 0.00 56.30 55.69 2ka7 h ASN 88 Cb 0.81 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 39.12 2ka7 h ASN 88 CO -0.25 0.51 -0.73 0.11 -1.65 0.00 0.00 177.43 175.42 2ka7 h LYS 89 N -0.22 0.00 0.00 0.81 1.57 -1.31 -3.40 116.57 114.01 2ka7 h LYS 89 Ca 0.02 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2ka7 h LYS 89 Cb 0.45 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.63 2ka7 h LYS 89 CO 0.01 0.73 -0.25 -3.47 -0.57 0.00 0.00 179.45 175.91 2ka7 n ASP 90 N -3.42 -2.00 0.24 0.86 -0.08 -0.16 -5.02 116.55 106.97 2ka7 n ASP 90 Ca 0.00 -2.73 0.07 0.00 -1.51 0.00 0.00 54.79 50.63 2ka7 n ASP 90 Cb 0.78 1.44 0.59 0.00 2.34 0.00 0.00 41.12 46.27 2ka7 n ASP 90 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2ka7 h PRO 91 N 3.13 0.03 -0.03 -0.67 0.13 -1.61 0.33 132.00 133.32 2ka7 h PRO 91 Ca -0.19 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.93 2ka7 h PRO 91 Cb 1.13 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2ka7 h PRO 91 CO 0.08 0.07 -0.07 0.39 -0.23 0.00 0.00 178.00 178.24 2ka7 n GLU 92 N -4.48 1.47 0.00 0.86 4.71 -1.26 -4.16 120.64 117.78 2ka7 n GLU 92 Ca -0.03 -2.71 0.00 0.00 -0.01 0.00 0.00 57.16 54.41 2ka7 n GLU 92 Cb 0.13 -1.55 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 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 -1.31 0.83 0.00 0.62 0.00 -0.32 -4.96 105.19 100.05 2ka7 n GLY 93 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 0.51 -0.10 1.61 -0.58 -1.18 -3.31 120.64 117.59 2ka7 n GLU 94 Ca 0.00 0.04 -0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2ka7 n GLU 94 Cb 0.00 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.40 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 0.52 1.85 3.67 0.62 0.00 -0.04 -4.90 105.19 106.90 2ka7 n GLY 95 Ca 0.14 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.90 1.82 -0.15 1.61 1.48 -1.21 -4.63 118.94 116.96 2ka7 s TRP 96 Ca 0.06 1.60 -0.13 0.00 -1.06 0.00 0.00 56.10 56.57 2ka7 s TRP 96 Cb 0.05 -3.23 -0.06 0.00 -1.16 0.00 0.00 33.47 29.06 2ka7 s TRP 96 CO 0.01 -2.76 -0.27 1.28 -4.06 0.00 0.00 176.95 171.15 2ka7 n LEU 97 N -4.18 1.65 -4.09 -4.66 4.77 -0.42 -4.75 117.00 105.32 2ka7 n LEU 97 Ca 0.09 0.28 -0.12 0.00 -0.03 0.00 0.00 56.01 56.22 2ka7 n LEU 97 Cb 0.53 -0.64 -0.06 0.00 -2.33 0.00 0.00 43.42 40.92 2ka7 n LEU 97 CO 0.52 -0.07 0.05 0.72 -1.33 0.00 0.00 177.39 177.29 2ka7 s PHE 98 N -2.58 0.89 0.13 -1.77 -0.12 -1.20 -0.90 117.98 112.44 2ka7 s PHE 98 Ca -0.25 -1.15 0.09 0.00 -0.05 0.00 0.00 56.93 55.57 2ka7 s PHE 98 Cb 0.06 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.28 2ka7 s PHE 98 CO 0.35 -0.96 -0.20 0.15 -0.05 0.00 0.00 175.22 174.50 2ka7 s LYS 99 N -3.64 1.21 -0.03 1.99 1.02 0.04 -1.45 119.74 118.89 2ka7 s LYS 99 Ca 0.30 -1.29 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 2ka7 s LYS 99 Cb 0.01 -1.39 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 2ka7 s LYS 99 CO 0.15 0.31 0.10 0.00 -0.92 0.00 0.00 175.35 174.99 2ka7 s MET 100 N -2.35 0.17 0.23 1.68 0.23 -0.10 -1.19 119.30 117.98 2ka7 s MET 100 Ca 0.11 0.04 -0.30 0.00 -1.03 0.00 0.00 55.69 54.51 2ka7 s MET 100 Cb -0.08 0.08 -0.10 0.00 -1.53 0.00 0.00 34.83 33.20 2ka7 s MET 100 CO 0.06 -0.03 1.49 -2.00 -2.03 0.00 0.00 175.02 172.51 2ka7 s GLU 101 N -0.20 4.24 -0.60 3.16 2.12 0.11 -0.56 118.70 126.97 2ka7 s GLU 101 Ca -0.03 2.34 -0.23 0.00 0.36 0.00 0.00 54.97 57.41 2ka7 s GLU 101 Cb -0.02 -3.12 0.05 0.00 0.26 0.00 0.00 34.13 31.31 2ka7 s GLU 101 CO 0.00 -0.50 0.94 0.96 -0.54 0.00 0.00 175.26 176.13 2ka7 s ILE 102 N 0.34 4.37 -1.23 -3.70 -4.36 -0.47 -2.44 121.20 113.71 2ka7 s ILE 102 Ca 0.63 -0.04 0.10 0.00 -0.26 0.00 0.00 60.65 61.08 2ka7 s ILE 102 Cb -0.43 -4.60 0.14 0.00 1.25 0.00 0.00 42.46 38.82 2ka7 s ILE 102 CO 0.40 -1.26 1.27 -1.20 0.24 0.00 0.00 174.94 174.39 2ka7 n SER 103 N 7.53 0.00 -3.79 4.36 7.64 -1.20 -4.51 113.62 123.66 2ka7 n SER 103 Ca -0.01 0.31 -0.13 0.00 1.01 0.00 0.00 58.87 60.04 2ka7 n SER 103 Cb 0.46 -0.38 -0.14 0.00 -1.01 0.00 0.00 64.21 63.14 2ka7 n SER 103 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2ka7 s ASP 104 N -2.77 -0.12 0.00 6.43 1.01 -1.26 -4.99 116.67 114.96 2ka7 s ASP 104 Ca 0.07 0.28 0.24 0.00 0.71 0.00 0.00 52.55 53.85 2ka7 s ASP 104 Cb 0.07 0.23 0.32 0.00 1.01 0.00 0.00 42.92 44.54 2ka7 s ASP 104 CO 0.17 -0.10 1.34 1.21 0.21 0.00 0.00 175.17 178.00 2ka7 n GLU 105 N 3.60 2.37 -0.04 8.23 2.13 -1.26 -4.49 120.64 131.18 2ka7 n GLU 105 Ca -0.19 -2.03 -0.19 0.00 0.66 0.00 0.00 57.16 55.41 2ka7 n GLU 105 Cb 0.55 -1.48 -0.13 0.00 0.27 0.00 0.00 31.44 30.65 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2ka7 n GLY 106 N 1.40 -0.53 0.27 8.31 0.00 -1.26 -4.27 105.19 109.11 2ka7 n GLY 106 Ca 0.16 -0.24 0.13 0.00 0.00 0.00 0.00 46.02 46.08 2ka7 n GLY 106 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ka7 h GLU 107 N 0.04 0.00 -0.90 1.61 4.39 -1.99 -1.15 114.58 116.58 2ka7 h GLU 107 Ca -0.47 0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.51 2ka7 h GLU 107 Cb 2.00 0.00 -0.17 0.00 -0.10 0.00 0.00 28.75 30.48 2ka7 h GLU 107 CO 0.03 0.11 0.15 1.28 -1.16 0.00 0.00 179.01 179.42 2ka7 n LEU 108 N -3.56 0.01 0.00 1.33 4.32 -1.26 -0.76 117.00 117.08 2ka7 n LEU 108 Ca -0.02 1.52 0.14 0.00 -0.02 0.00 0.00 56.01 57.64 2ka7 n LEU 108 Cb 0.24 -0.61 0.70 0.00 -1.62 0.00 0.00 43.42 42.14 2ka7 n LEU 108 CO 0.29 -1.59 1.00 -0.62 -1.22 0.00 0.00 177.39 175.25 2ka7 n GLU 109 N -5.24 0.26 0.03 3.23 -0.58 -0.44 -2.29 120.64 115.63 2ka7 n GLU 109 Ca 0.25 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 57.11 2ka7 n GLU 109 Cb 0.83 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 30.43 2ka7 n GLU 109 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2ka7 n ASP 110 N -1.37 0.57 -4.60 1.62 2.03 0.06 -4.89 116.55 109.98 2ka7 n ASP 110 Ca 0.11 0.02 -0.28 0.00 0.52 0.00 0.00 54.79 55.16 2ka7 n ASP 110 Cb 0.28 0.13 0.21 0.00 -0.72 0.00 0.00 41.12 41.02 2ka7 n ASP 110 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2ka7 s LEU 111 N -3.69 1.25 0.26 -2.67 2.01 -0.97 -5.00 118.68 109.87 2ka7 s LEU 111 Ca 0.09 1.31 -0.30 0.00 0.01 0.00 0.00 54.13 55.24 2ka7 s LEU 111 Cb 0.15 -3.38 -0.09 0.00 0.01 0.00 0.00 46.19 42.88 2ka7 s LEU 111 CO 0.70 -3.60 1.07 -0.76 1.01 0.00 0.00 176.35 174.77 2ka7 s LEU 112 N -6.79 4.56 1.26 1.79 1.43 -0.86 -4.93 118.68 115.14 2ka7 s LEU 112 Ca 0.67 2.19 -0.15 0.00 -1.03 0.00 0.00 54.13 55.81 2ka7 s LEU 112 Cb -0.21 -3.62 0.32 0.00 0.03 0.00 0.00 46.19 42.71 2ka7 s LEU 112 CO 0.60 -0.10 0.97 0.47 0.23 0.00 0.00 176.35 178.52 2ka7 n ASP 113 N 1.40 -2.34 0.01 2.29 8.00 -1.26 -2.41 116.55 122.23 2ka7 n ASP 113 Ca -0.01 -0.34 -0.02 0.00 0.71 0.00 0.00 54.79 55.13 2ka7 n ASP 113 Cb 0.45 -1.20 0.24 0.00 -0.02 0.00 0.00 41.12 40.59 2ka7 n ASP 113 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 2ka7 h GLU 114 N -2.93 0.49 0.15 -1.24 4.81 -1.95 0.31 114.58 114.20 2ka7 h GLU 114 Ca -0.60 -0.15 -0.20 0.00 -0.13 0.00 0.00 59.36 58.27 2ka7 h GLU 114 Cb 1.34 -0.04 0.02 0.00 0.63 0.00 0.00 28.75 30.70 2ka7 h GLU 114 CO 0.45 0.64 -0.92 0.37 -0.73 0.00 0.00 179.01 178.83 2ka7 h GLN 115 N 0.44 0.31 -0.10 1.92 4.15 -2.01 -3.31 115.11 116.53 2ka7 h GLN 115 Ca 0.08 -0.53 -0.03 0.00 0.77 0.00 0.00 58.65 58.93 2ka7 h GLN 115 Cb 0.55 0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 2ka7 h GLN 115 CO 0.04 1.26 -0.08 0.00 -1.93 0.00 0.00 178.83 178.12 2ka7 h ALA 116 N 0.07 1.70 -1.00 3.38 0.00 -1.86 -1.42 119.26 120.13 2ka7 h ALA 116 Ca -0.17 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.64 2ka7 h ALA 116 Cb 1.69 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 2ka7 h ALA 116 CO 0.15 0.23 0.66 -0.92 0.00 0.00 0.00 179.25 179.37 2ka7 h TYR 117 N 0.14 1.24 -0.22 0.00 3.20 -0.50 -0.48 116.97 120.36 2ka7 h TYR 117 Ca 0.03 0.03 -0.07 0.00 3.14 0.00 0.00 58.73 61.87 2ka7 h TYR 117 Cb 0.23 -0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2ka7 h TYR 117 CO 0.00 0.75 -0.12 1.96 -1.64 0.00 0.00 178.16 179.11 2ka7 h GLN 118 N 1.31 0.46 -0.50 1.82 1.08 -1.38 -3.24 115.11 114.67 2ka7 h GLN 118 Ca 0.38 -0.21 0.07 0.00 -1.45 0.00 0.00 58.65 57.44 2ka7 h GLN 118 Cb -0.08 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.29 2ka7 h GLN 118 CO -0.10 0.76 0.19 1.05 -0.95 0.00 0.00 178.83 179.77 2ka7 h GLU 119 N 0.16 0.36 -0.36 1.46 4.11 -0.58 -2.41 114.58 117.32 2ka7 h GLU 119 Ca 0.05 -0.02 0.07 0.00 0.07 0.00 0.00 59.36 59.52 2ka7 h GLU 119 Cb 0.63 -0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2ka7 h GLU 119 CO 0.04 0.24 -0.03 0.35 0.07 0.00 0.00 179.01 179.68 2ka7 h PHE 120 N 0.37 -0.07 0.00 2.06 3.57 -1.18 -1.27 116.94 120.42 2ka7 h PHE 120 Ca 0.24 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 2ka7 h PHE 120 Cb 0.25 0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.07 2ka7 h PHE 120 CO -0.16 -0.09 -0.06 0.00 -2.23 0.00 0.00 178.31 175.77 2ka7 n ALA 122 N -2.15 2.98 0.53 0.00 0.00 -0.50 -3.71 120.51 117.66 2ka7 n ALA 122 Ca -0.01 -0.30 0.09 0.00 0.00 0.00 0.00 53.44 53.21 2ka7 n ALA 122 Cb 0.24 -1.25 -0.12 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.05 0.91 0.00 0.00 6.02 -0.76 -5.10 117.38 117.40 2ka7 n GLN 123 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2ka7 n GLN 123 Cb 0.32 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14