#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka7 s LYS 2 N 0.00 0.37 -0.02 2.12 -2.85 -1.26 -3.72 119.74 114.38 2ka7 s LYS 2 Ca 0.00 0.70 -0.29 0.00 -1.00 0.00 0.00 55.97 55.39 2ka7 s LYS 2 Cb 0.00 0.17 0.08 0.00 -2.06 0.00 0.00 37.83 36.02 2ka7 s LYS 2 CO 0.00 -0.09 0.75 1.41 0.10 0.00 0.00 175.35 177.52 2ka7 s MET 3 N 1.61 0.99 -0.27 1.78 1.75 0.03 -5.00 119.30 120.18 2ka7 s MET 3 Ca -0.08 0.01 -0.02 0.00 -1.25 0.00 0.00 55.69 54.35 2ka7 s MET 3 Cb -0.04 0.46 0.12 0.00 2.84 0.00 0.00 34.83 38.21 2ka7 s MET 3 CO -0.16 -0.36 0.22 0.15 -0.65 0.00 0.00 175.02 174.23 2ka7 s LYS 4 N -1.98 0.25 0.48 4.11 1.02 -1.26 -0.91 119.74 121.45 2ka7 s LYS 4 Ca -0.05 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.75 2ka7 s LYS 4 Cb -0.00 -0.94 0.03 0.00 -0.52 0.00 0.00 37.83 36.40 2ka7 s LYS 4 CO 0.01 -0.96 0.26 1.63 -0.92 0.00 0.00 175.35 175.36 2ka7 n LYS 5 N 5.29 0.81 -3.94 1.68 5.02 -1.15 -4.67 118.16 121.20 2ka7 n LYS 5 Ca -0.04 -3.12 -0.09 0.00 -2.02 0.00 0.00 58.31 53.03 2ka7 n LYS 5 Cb 0.45 0.49 -0.10 0.00 -0.02 0.00 0.00 35.03 35.85 2ka7 n LYS 5 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2ka7 s TYR 6 N -2.48 0.21 0.44 2.13 1.51 -1.07 -1.25 117.35 116.84 2ka7 s TYR 6 Ca 0.20 -0.49 0.08 0.00 -1.01 0.00 0.00 57.07 55.85 2ka7 s TYR 6 Cb -0.02 -0.15 0.02 0.00 -0.11 0.00 0.00 41.96 41.70 2ka7 s TYR 6 CO 0.12 -0.32 0.57 0.95 -1.11 0.00 0.00 175.55 175.76 2ka7 s THR 7 N -2.28 2.79 -2.06 -0.71 -4.23 -0.17 -2.48 115.64 106.50 2ka7 s THR 7 Ca -0.08 -1.07 0.30 0.00 -1.18 0.00 0.00 61.69 59.67 2ka7 s THR 7 Cb -0.03 -2.86 0.72 0.00 1.34 0.00 0.00 72.50 71.66 2ka7 s THR 7 CO -0.03 0.00 2.02 0.29 -0.54 0.00 0.00 174.62 176.36 2ka7 n LYS 8 N -1.85 1.11 -2.23 3.99 5.02 -1.26 -3.82 118.16 119.12 2ka7 n LYS 8 Ca 0.08 -0.31 -0.25 0.00 -2.02 0.00 0.00 58.31 55.81 2ka7 n LYS 8 Cb 0.60 -1.49 0.01 0.00 -0.02 0.00 0.00 35.03 34.13 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 -0.67 2.42 -3.90 -0.18 -2.24 -1.26 -5.00 114.28 103.45 2ka7 n THR 9 Ca 0.21 -4.48 -0.39 0.00 -2.27 0.00 0.00 64.05 57.12 2ka7 n THR 9 Cb 0.21 -1.12 0.03 0.00 -2.10 0.00 0.00 70.33 67.35 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 -0.60 -1.65 -4.11 4.78 1.44 -1.25 -4.81 115.22 109.02 2ka7 n HIS 10 Ca 0.41 0.28 -0.14 0.00 -2.01 0.00 0.00 57.72 56.26 2ka7 n HIS 10 Cb 0.84 -3.02 -0.11 0.00 0.12 0.00 0.00 29.99 27.81 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 -6.65 0.65 0.46 -1.40 2.02 -1.26 -1.66 118.70 110.85 2ka7 s GLU 11 Ca 0.44 -0.92 0.07 0.00 0.02 0.00 0.00 54.97 54.57 2ka7 s GLU 11 Cb -0.21 -0.38 -0.01 0.00 0.10 0.00 0.00 34.13 33.63 2ka7 s GLU 11 CO 0.93 0.06 0.33 1.67 0.02 0.00 0.00 175.26 178.27 2ka7 s TRP 12 N -1.84 2.34 -0.07 1.61 1.48 -0.44 -1.00 118.94 121.03 2ka7 s TRP 12 Ca -0.04 -0.63 -0.04 0.00 -1.06 0.00 0.00 56.10 54.33 2ka7 s TRP 12 Cb -0.07 -2.03 0.03 0.00 -1.16 0.00 0.00 33.47 30.24 2ka7 s TRP 12 CO -0.00 -0.14 0.16 0.08 -4.06 0.00 0.00 176.95 172.98 2ka7 s VAL 13 N -2.60 -0.03 -0.68 -0.66 1.01 -0.38 -3.34 120.40 113.72 2ka7 s VAL 13 Ca 0.42 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2ka7 s VAL 13 Cb -0.01 -0.24 0.17 0.00 0.00 0.00 0.00 36.38 36.30 2ka7 s VAL 13 CO 0.24 0.04 0.48 -0.44 0.00 0.00 0.00 175.10 175.42 2ka7 s SER 14 N 0.70 5.03 -0.22 3.32 0.01 -0.18 -2.95 113.70 119.40 2ka7 s SER 14 Ca -0.05 -3.40 -0.29 0.00 1.31 0.00 0.00 55.95 53.51 2ka7 s SER 14 Cb -0.07 -1.74 -0.01 0.00 0.21 0.00 0.00 66.02 64.41 2ka7 s SER 14 CO -0.04 -0.20 1.27 -0.63 0.41 0.00 0.00 173.24 174.05 2ka7 s ILE 15 N -0.85 4.24 0.00 1.44 1.09 -0.09 -1.84 121.20 125.20 2ka7 s ILE 15 Ca 0.22 1.47 0.00 0.00 -1.10 0.00 0.00 60.65 61.24 2ka7 s ILE 15 Cb -0.14 -4.07 0.00 0.00 -1.06 0.00 0.00 42.46 37.19 2ka7 s ILE 15 CO -0.09 -0.27 0.00 1.21 -0.10 0.00 0.00 174.94 175.70 2ka7 n GLU 16 N 6.87 0.00 0.08 2.79 2.13 -0.23 -0.79 120.64 131.49 2ka7 n GLU 16 Ca 0.14 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.92 2ka7 n GLU 16 Cb 0.46 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.14 2ka7 n GLU 16 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 2ka7 h ASP 17 N 0.00 -0.24 0.00 4.31 3.32 -1.94 -3.37 116.42 118.50 2ka7 h ASP 17 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 2ka7 h ASP 17 Cb 0.00 0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.61 2ka7 h ASP 17 CO 0.00 0.20 0.00 0.29 -1.72 0.00 0.00 179.24 178.01 2ka7 n LYS 18 N -4.83 0.29 -4.53 3.56 5.02 -1.26 -5.03 118.16 111.38 2ka7 n LYS 18 Ca -0.04 -0.50 -0.21 0.00 -2.02 0.00 0.00 58.31 55.54 2ka7 n LYS 18 Cb 0.11 -0.57 -0.15 0.00 -0.02 0.00 0.00 35.03 34.40 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 -0.11 1.00 -0.11 -0.18 1.01 -1.26 -1.87 120.40 118.88 2ka7 s VAL 19 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 2ka7 s VAL 19 Cb 0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 2ka7 s VAL 19 CO 0.00 0.24 -0.06 0.00 0.00 0.00 0.00 175.10 175.28 2ka7 s ALA 20 N -0.37 2.94 0.30 5.51 0.00 -0.67 -1.06 121.76 128.41 2ka7 s ALA 20 Ca 0.04 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.87 2ka7 s ALA 20 Cb -0.05 -1.37 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 2ka7 s ALA 20 CO -0.00 0.37 1.02 0.99 0.00 0.00 0.00 175.76 178.14 2ka7 s THR 21 N -0.14 3.83 -0.05 0.00 2.01 -0.77 -1.63 115.64 118.89 2ka7 s THR 21 Ca 0.02 1.69 0.04 0.00 0.31 0.00 0.00 61.69 63.74 2ka7 s THR 21 Cb -0.13 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2ka7 s THR 21 CO 0.03 0.28 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.40 2ka7 s VAL 22 N -1.35 2.96 0.12 3.82 1.01 -0.43 -1.01 120.40 125.51 2ka7 s VAL 22 Ca 0.47 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2ka7 s VAL 22 Cb -0.26 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 33.98 2ka7 s VAL 22 CO 0.33 0.59 0.28 -0.83 0.00 0.00 0.00 175.10 175.47 2ka7 s GLY 23 N -0.71 0.07 0.75 4.51 0.00 -1.21 -1.98 107.32 108.75 2ka7 s GLY 23 Ca 0.11 -0.51 -0.11 0.00 0.00 0.00 0.00 44.72 44.21 2ka7 s GLY 23 CO 0.00 -0.65 1.09 -0.26 0.00 0.00 0.00 173.10 173.28 2ka7 s ILE 24 N -3.87 3.35 0.23 0.90 -5.25 -1.26 -1.33 121.20 113.97 2ka7 s ILE 24 Ca 0.07 0.47 -0.04 0.00 -0.99 0.00 0.00 60.65 60.16 2ka7 s ILE 24 Cb 0.03 -2.97 0.05 0.00 2.95 0.00 0.00 42.46 42.52 2ka7 s ILE 24 CO -0.08 -0.54 0.31 0.35 -1.79 0.00 0.00 174.94 173.19 2ka7 n THR 25 N -3.30 0.00 -0.71 8.37 -2.24 -0.67 -4.50 114.28 111.24 2ka7 n THR 25 Ca 0.09 -0.23 0.06 0.00 -2.27 0.00 0.00 64.05 61.71 2ka7 n THR 25 Cb 0.53 -1.85 0.37 0.00 -2.10 0.00 0.00 70.33 67.27 2ka7 n THR 25 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2ka7 n ASN 26 N -3.21 5.28 -0.32 3.42 4.05 -1.26 -3.91 115.26 119.31 2ka7 n ASN 26 Ca 0.04 -2.83 0.04 0.00 0.45 0.00 0.00 54.58 52.28 2ka7 n ASN 26 Cb 0.14 -0.67 0.04 0.00 1.23 0.00 0.00 39.78 40.52 2ka7 n ASN 26 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 2ka7 n HIS 27 N 0.59 0.02 0.01 1.20 -0.00 -1.26 -4.78 115.22 111.00 2ka7 n HIS 27 Ca 0.25 -0.03 -0.00 0.00 0.46 0.00 0.00 57.72 58.40 2ka7 n HIS 27 Cb 1.10 -0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.97 2ka7 n HIS 27 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2ka7 n ALA 28 N 0.43 2.98 -0.33 1.57 0.00 -1.25 -4.35 120.51 119.55 2ka7 n ALA 28 Ca 0.05 -0.01 0.24 0.00 0.00 0.00 0.00 53.44 53.72 2ka7 n ALA 28 Cb 0.21 0.44 0.45 0.00 0.00 0.00 0.00 19.45 20.55 2ka7 n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka7 n GLN 29 N -3.13 -0.07 0.28 0.00 0.00 -1.25 -0.67 117.38 112.54 2ka7 n GLN 29 Ca -0.01 1.43 0.14 0.00 0.00 0.00 0.00 57.00 58.56 2ka7 n GLN 29 Cb 0.39 -2.43 0.83 0.00 0.00 0.00 0.00 30.24 29.04 2ka7 n GLN 29 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.06 178.55 2ka7 h GLU 30 N 0.00 0.00 -0.03 2.61 4.22 -1.87 -0.19 114.58 119.32 2ka7 h GLU 30 Ca 0.74 0.00 -0.12 0.00 0.08 0.00 0.00 59.36 60.06 2ka7 h GLU 30 Cb 1.79 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.05 2ka7 h GLU 30 CO -0.84 0.06 -0.45 1.96 -2.18 0.00 0.00 179.01 177.56 2ka7 h GLN 31 N 0.00 0.35 0.29 1.92 4.20 -1.09 -3.35 115.11 117.42 2ka7 h GLN 31 Ca -0.00 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2ka7 h GLN 31 Cb 0.16 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2ka7 h GLN 31 CO 0.01 1.01 -0.14 -0.07 -0.67 0.00 0.00 178.83 178.97 2ka7 h LEU 32 N -0.19 -0.33 0.00 1.46 3.38 -1.50 -3.50 115.31 114.64 2ka7 h LEU 32 Ca -0.05 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2ka7 h LEU 32 Cb 1.15 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2ka7 h LEU 32 CO 0.09 0.15 0.00 0.61 0.09 0.00 0.00 178.44 179.38 2ka7 n GLY 33 N 0.51 0.74 3.68 0.83 0.00 -0.10 -4.84 105.19 106.00 2ka7 n GLY 33 Ca -0.07 -1.18 -0.45 0.00 0.00 0.00 0.00 46.02 44.32 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 2.43 3.55 -0.33 1.61 8.00 -1.26 -4.85 116.55 125.70 2ka7 n ASP 34 Ca 0.00 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.53 2ka7 n ASP 34 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.63 2ka7 n ASP 34 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka7 n VAL 35 N 4.18 0.00 0.00 2.53 0.31 -1.26 -3.26 118.33 120.83 2ka7 n VAL 35 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 2ka7 n VAL 35 Cb 0.32 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.79 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 0.00 0.00 -3.84 2.52 0.24 -1.25 -4.41 118.33 111.59 2ka7 n VAL 36 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 2ka7 n VAL 36 Cb 0.00 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.26 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 -0.87 -0.07 -0.11 6.34 5.04 -0.76 -4.81 117.35 122.11 2ka7 s TYR 37 Ca 0.00 0.14 -0.00 0.00 -2.44 0.00 0.00 57.07 54.77 2ka7 s TYR 37 Cb 0.00 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.34 2ka7 s TYR 37 CO 0.00 -0.21 -0.09 0.08 -1.34 0.00 0.00 175.55 174.00 2ka7 s VAL 38 N -0.74 1.11 0.26 3.14 1.01 -1.26 -2.71 120.40 121.21 2ka7 s VAL 38 Ca -0.08 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 2ka7 s VAL 38 Cb -0.05 -1.10 -0.09 0.00 0.00 0.00 0.00 36.38 35.14 2ka7 s VAL 38 CO 0.01 0.38 0.95 -0.62 0.00 0.00 0.00 175.10 175.82 2ka7 s ASP 39 N 1.57 7.56 0.09 3.32 2.15 0.20 -4.61 116.67 126.95 2ka7 s ASP 39 Ca 0.03 1.96 0.08 0.00 0.43 0.00 0.00 52.55 55.05 2ka7 s ASP 39 Cb -0.13 -2.61 -0.03 0.00 -0.30 0.00 0.00 42.92 39.85 2ka7 s ASP 39 CO -0.07 0.09 -0.20 -0.76 -0.17 0.00 0.00 175.17 174.05 2ka7 s LEU 40 N -1.36 2.27 0.00 -1.34 1.43 -1.26 -4.02 118.68 114.40 2ka7 s LEU 40 Ca 0.43 -0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 52.76 2ka7 s LEU 40 Cb -0.25 -0.87 0.17 0.00 0.03 0.00 0.00 46.19 45.26 2ka7 s LEU 40 CO 0.31 0.07 0.63 -0.81 0.23 0.00 0.00 176.35 176.78 2ka7 n PRO 41 N 1.24 -2.04 -3.91 1.29 -0.04 -0.93 -4.88 135.00 125.72 2ka7 n PRO 41 Ca -0.19 -1.01 -0.22 0.00 -0.04 0.00 0.00 63.50 62.04 2ka7 n PRO 41 Cb 0.54 -0.91 -0.02 0.00 -0.04 0.00 0.00 33.50 33.07 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 -4.43 3.45 -0.01 0.54 2.12 -1.26 -4.99 118.70 114.11 2ka7 s GLU 42 Ca 0.40 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 55.06 2ka7 s GLU 42 Cb -0.04 -2.88 0.05 0.00 0.26 0.00 0.00 34.13 31.52 2ka7 s GLU 42 CO 0.31 0.42 0.58 1.55 -0.54 0.00 0.00 175.26 177.57 2ka7 n VAL 43 N -1.27 0.16 -1.62 3.70 3.14 -1.26 -2.42 118.33 118.76 2ka7 n VAL 43 Ca -0.08 -0.08 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 2ka7 n VAL 43 Cb 0.56 -0.48 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 0.04 -0.43 3.74 7.55 0.00 -1.01 -3.73 105.19 111.34 2ka7 n GLY 44 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 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 4.51 0.41 1.61 3.52 -1.01 -4.71 118.95 123.28 2ka7 s ARG 45 Ca 0.00 1.86 -0.05 0.00 -0.13 0.00 0.00 55.73 57.41 2ka7 s ARG 45 Cb 0.00 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 2ka7 s ARG 45 CO 0.00 -0.04 0.71 -1.21 -0.81 0.00 0.00 175.30 173.94 2ka7 s GLU 46 N -0.43 3.60 0.25 5.12 2.02 -1.26 -0.71 118.70 127.29 2ka7 s GLU 46 Ca 0.51 0.14 -0.06 0.00 0.02 0.00 0.00 54.97 55.59 2ka7 s GLU 46 Cb -0.32 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 2ka7 s GLU 46 CO 0.37 -0.04 0.34 0.08 0.02 0.00 0.00 175.26 176.03 2ka7 s VAL 47 N -2.48 0.00 0.17 2.63 1.01 0.06 -4.93 120.40 116.85 2ka7 s VAL 47 Ca 0.46 -1.69 -0.07 0.00 0.00 0.00 0.00 61.98 60.68 2ka7 s VAL 47 Cb -0.10 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.86 2ka7 s VAL 47 CO 0.38 0.00 0.25 -0.54 0.00 0.00 0.00 175.10 175.19 2ka7 s LYS 48 N -3.90 1.16 0.00 2.72 1.02 -1.26 -2.95 119.74 116.54 2ka7 s LYS 48 Ca 0.31 -1.26 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2ka7 s LYS 48 Cb 0.02 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.69 2ka7 s LYS 48 CO 0.13 -0.42 0.66 0.36 -0.92 0.00 0.00 175.35 175.16 2ka7 n LYS 49 N -0.22 0.74 -2.65 1.68 2.85 -1.25 -2.73 118.16 116.58 2ka7 n LYS 49 Ca -0.06 0.00 -0.03 0.00 -1.05 0.00 0.00 58.31 57.18 2ka7 n LYS 49 Cb 0.63 -1.18 0.09 0.00 -0.65 0.00 0.00 35.03 33.91 2ka7 n LYS 49 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2ka7 n GLY 50 N 0.52 -1.55 3.45 2.58 0.00 -0.94 -4.72 105.19 104.54 2ka7 n GLY 50 Ca 0.00 0.74 -0.31 0.00 0.00 0.00 0.00 46.02 46.45 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 0.01 2.19 -0.54 1.61 0.41 -1.11 -4.80 118.70 116.48 2ka7 s GLU 51 Ca 0.16 -0.90 -0.20 0.00 -0.41 0.00 0.00 54.97 53.62 2ka7 s GLU 51 Cb 0.24 -2.22 0.07 0.00 -1.78 0.00 0.00 34.13 30.43 2ka7 s GLU 51 CO -0.17 0.56 0.71 0.08 -0.49 0.00 0.00 175.26 175.96 2ka7 s VAL 52 N -0.84 4.75 -0.18 2.63 1.01 -1.26 -0.39 120.40 126.12 2ka7 s VAL 52 Ca 0.13 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.65 2ka7 s VAL 52 Cb -0.10 -4.41 0.01 0.00 0.00 0.00 0.00 36.38 31.88 2ka7 s VAL 52 CO 0.03 -0.97 0.54 1.33 0.00 0.00 0.00 175.10 176.03 2ka7 n VAL 53 N 5.71 0.00 -2.71 2.92 0.24 -1.24 -4.89 118.33 118.36 2ka7 n VAL 53 Ca -0.06 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.34 61.68 2ka7 n VAL 53 Cb 0.45 1.03 0.07 0.00 -1.47 0.00 0.00 33.84 33.92 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 0.06 -2.11 -0.88 2.33 0.00 -1.26 -2.19 120.51 116.45 2ka7 n ALA 54 Ca 0.01 -0.98 -0.29 0.00 0.00 0.00 0.00 53.44 52.18 2ka7 n ALA 54 Cb 0.04 -2.06 0.19 0.00 0.00 0.00 0.00 19.45 17.62 2ka7 n ALA 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2ka7 s SER 55 N -1.01 2.32 -0.25 0.00 0.01 -1.26 -2.07 113.70 111.44 2ka7 s SER 55 Ca 0.27 1.55 -0.03 0.00 1.31 0.00 0.00 55.95 59.05 2ka7 s SER 55 Cb 0.25 -2.22 0.11 0.00 0.21 0.00 0.00 66.02 64.36 2ka7 s SER 55 CO -0.16 -3.37 0.20 -0.63 0.41 0.00 0.00 173.24 169.69 2ka7 s ILE 56 N -2.72 -0.25 -0.30 1.44 1.01 -1.25 -0.63 121.20 118.50 2ka7 s ILE 56 Ca 0.66 -0.44 -0.19 0.00 0.00 0.00 0.00 60.65 60.68 2ka7 s ILE 56 Cb -0.21 -0.86 -0.01 0.00 0.01 0.00 0.00 42.46 41.39 2ka7 s ILE 56 CO 0.60 -0.46 0.58 -1.61 0.00 0.00 0.00 174.94 174.05 2ka7 s GLU 57 N 2.25 3.90 0.00 2.79 2.02 -1.10 -2.08 118.70 126.48 2ka7 s GLU 57 Ca 0.08 0.23 0.00 0.00 0.02 0.00 0.00 54.97 55.29 2ka7 s GLU 57 Cb -0.15 -3.72 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2ka7 s GLU 57 CO -0.26 -0.52 0.00 -1.13 0.02 0.00 0.00 175.26 173.37 2ka7 n SER 58 N 5.77 0.00 -0.04 -0.19 3.41 0.53 -1.84 113.62 121.26 2ka7 n SER 58 Ca -0.02 -0.86 0.23 0.00 -0.26 0.00 0.00 58.87 57.96 2ka7 n SER 58 Cb 0.49 0.00 0.72 0.00 -0.26 0.00 0.00 64.21 65.16 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 -0.09 0.56 0.00 -3.33 -1.51 -1.76 -3.34 116.25 106.79 2ka7 h VAL 59 Ca 0.00 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 65.36 2ka7 h VAL 59 Cb 0.00 0.64 -0.10 0.00 -2.13 0.00 0.00 31.29 29.70 2ka7 h VAL 59 CO 0.00 0.00 -0.17 1.17 -1.23 0.00 0.00 177.57 177.34 2ka7 n LYS 60 N -4.15 0.88 -3.90 5.19 3.00 -1.26 -5.14 118.16 112.78 2ka7 n LYS 60 Ca 0.12 -0.82 -0.09 0.00 -0.00 0.00 0.00 58.31 57.53 2ka7 n LYS 60 Cb 0.75 0.26 -0.07 0.00 0.00 0.00 0.00 35.03 35.96 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 0.09 -0.13 0.15 3.14 0.00 -1.25 -5.16 121.76 118.59 2ka7 s ALA 61 Ca 0.06 -0.73 0.08 0.00 0.00 0.00 0.00 51.96 51.38 2ka7 s ALA 61 Cb 0.29 0.65 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2ka7 s ALA 61 CO -0.08 -0.57 -0.11 0.00 0.00 0.00 0.00 175.76 175.00 2ka7 s ALA 62 N -3.91 2.90 -0.44 0.00 0.00 -1.26 -0.35 121.76 118.71 2ka7 s ALA 62 Ca 0.10 -1.39 0.06 0.00 0.00 0.00 0.00 51.96 50.73 2ka7 s ALA 62 Cb 0.04 -0.76 0.20 0.00 0.00 0.00 0.00 23.12 22.60 2ka7 s ALA 62 CO -0.06 0.54 0.54 0.00 0.00 0.00 0.00 175.76 176.77 2ka7 n ALA 63 N 0.36 1.21 -0.85 0.00 0.00 -0.88 -4.97 120.51 115.37 2ka7 n ALA 63 Ca -0.12 -2.53 -0.36 0.00 0.00 0.00 0.00 53.44 50.43 2ka7 n ALA 63 Cb 0.54 -1.00 -0.08 0.00 0.00 0.00 0.00 19.45 18.91 2ka7 n ALA 63 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ka7 n ASP 64 N 2.33 0.41 -4.66 0.00 9.92 -1.26 -3.89 116.55 119.40 2ka7 n ASP 64 Ca 0.22 0.36 -0.43 0.00 -0.53 0.00 0.00 54.79 54.42 2ka7 n ASP 64 Cb 0.53 -0.59 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 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 4.39 4.58 -0.68 2.53 1.01 -0.88 -4.95 120.40 126.41 2ka7 s VAL 65 Ca 0.81 1.91 -0.14 0.00 0.00 0.00 0.00 61.98 64.56 2ka7 s VAL 65 Cb -0.94 -4.23 0.17 0.00 0.00 0.00 0.00 36.38 31.39 2ka7 s VAL 65 CO 0.40 -0.15 0.61 -0.31 0.00 0.00 0.00 175.10 175.65 2ka7 s TYR 66 N 3.16 3.52 0.04 5.22 2.02 -1.26 -3.62 117.35 126.43 2ka7 s TYR 66 Ca 0.47 -1.75 -0.26 0.00 -0.37 0.00 0.00 57.07 55.17 2ka7 s TYR 66 Cb -0.17 -3.76 -0.14 0.00 -0.40 0.00 0.00 41.96 37.50 2ka7 s TYR 66 CO 0.09 -0.99 0.65 0.00 -1.57 0.00 0.00 175.55 173.73 2ka7 n ALA 67 N 4.52 -2.62 0.08 3.71 0.00 0.48 -4.44 120.51 122.24 2ka7 n ALA 67 Ca 0.01 0.39 -0.04 0.00 0.00 0.00 0.00 53.44 53.80 2ka7 n ALA 67 Cb 0.43 -1.21 0.14 0.00 0.00 0.00 0.00 19.45 18.82 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 1.73 0.24 -4.63 0.00 0.13 -1.85 -2.50 132.00 125.13 2ka7 h PRO 68 Ca -0.31 -0.15 -0.22 0.00 -0.87 0.00 0.00 66.00 64.44 2ka7 h PRO 68 Cb 1.01 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.01 2ka7 h PRO 68 CO 0.44 0.73 -0.69 -0.51 -0.23 0.00 0.00 178.00 177.75 2ka7 s LEU 69 N -8.01 2.41 0.17 1.56 2.01 -1.26 -4.65 118.68 110.91 2ka7 s LEU 69 Ca -0.04 -1.04 -0.31 0.00 0.01 0.00 0.00 54.13 52.75 2ka7 s LEU 69 Cb 0.12 -0.03 -0.09 0.00 0.01 0.00 0.00 46.19 46.21 2ka7 s LEU 69 CO 0.79 -0.51 1.39 -0.44 1.01 0.00 0.00 176.35 178.60 2ka7 s SER 70 N -3.05 6.79 0.00 2.29 0.01 -1.26 -3.81 113.70 114.67 2ka7 s SER 70 Ca 0.14 2.44 0.00 0.00 1.31 0.00 0.00 55.95 59.83 2ka7 s SER 70 Cb 0.06 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2ka7 s SER 70 CO -0.04 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2ka7 n GLY 71 N 2.96 -1.35 2.93 3.44 0.00 -1.15 -3.47 105.19 108.55 2ka7 n GLY 71 Ca 0.09 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.95 2ka7 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka7 s LYS 72 N -0.92 0.97 0.66 1.61 3.01 -1.18 -0.76 119.74 123.12 2ka7 s LYS 72 Ca 0.00 -0.19 -0.17 0.00 -1.01 0.00 0.00 55.97 54.60 2ka7 s LYS 72 Cb 0.00 -0.92 -0.00 0.00 -1.01 0.00 0.00 37.83 35.90 2ka7 s LYS 72 CO 0.00 -0.02 1.23 0.42 0.51 0.00 0.00 175.35 177.49 2ka7 s ILE 73 N 0.70 2.34 0.00 2.17 -1.09 0.12 -0.86 121.20 124.58 2ka7 s ILE 73 Ca -0.10 0.20 0.00 0.00 -2.23 0.00 0.00 60.65 58.51 2ka7 s ILE 73 Cb -0.13 -2.97 0.00 0.00 -1.58 0.00 0.00 42.46 37.78 2ka7 s ILE 73 CO 0.01 -0.06 0.00 0.55 -1.23 0.00 0.00 174.94 174.21 2ka7 n VAL 74 N -2.06 0.00 -3.89 2.92 3.14 -0.72 -2.41 118.33 115.31 2ka7 n VAL 74 Ca 0.14 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.42 2ka7 n VAL 74 Cb 0.49 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.18 2ka7 n VAL 74 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 2ka7 s GLU 75 N 0.00 0.54 0.06 1.45 2.12 -0.64 -4.94 118.70 117.29 2ka7 s GLU 75 Ca 0.00 -0.54 0.02 0.00 0.36 0.00 0.00 54.97 54.81 2ka7 s GLU 75 Cb 0.00 0.22 -0.03 0.00 0.26 0.00 0.00 34.13 34.58 2ka7 s GLU 75 CO 0.00 -0.13 -0.08 0.14 -0.54 0.00 0.00 175.26 174.65 2ka7 s VAL 76 N -1.91 0.61 -0.98 3.70 -7.23 -1.26 -0.48 120.40 112.84 2ka7 s VAL 76 Ca -0.11 -1.30 -0.11 0.00 -1.81 0.00 0.00 61.98 58.66 2ka7 s VAL 76 Cb -0.05 -0.89 0.25 0.00 0.56 0.00 0.00 36.38 36.26 2ka7 s VAL 76 CO -0.01 -0.49 0.96 0.21 -0.31 0.00 0.00 175.10 175.46 2ka7 s ASN 77 N -1.94 7.07 0.35 4.85 2.47 -0.35 -4.88 114.94 122.52 2ka7 s ASN 77 Ca -0.04 -3.19 0.24 0.00 0.42 0.00 0.00 52.86 50.28 2ka7 s ASN 77 Cb -0.06 -2.21 1.29 0.00 -1.45 0.00 0.00 41.25 38.82 2ka7 s ASN 77 CO -0.01 -0.42 1.73 -0.33 -3.72 0.00 0.00 177.10 174.36 2ka7 h GLU 78 N 7.17 0.00 -0.01 0.43 5.08 -1.94 -0.62 114.58 124.69 2ka7 h GLU 78 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2ka7 h GLU 78 Cb 0.95 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 2ka7 h GLU 78 CO 0.89 0.00 0.02 0.87 -1.00 0.00 0.00 179.01 179.80 2ka7 h LYS 79 N 0.00 0.00 0.00 2.33 1.79 -1.96 -2.65 116.57 116.08 2ka7 h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2ka7 h LYS 79 Cb 0.01 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.66 2ka7 h LYS 79 CO 0.00 0.00 -0.33 -0.07 -1.08 0.00 0.00 179.45 177.97 2ka7 h LEU 80 N 0.00 0.00 -1.62 2.94 -0.00 -1.33 0.97 115.31 116.27 2ka7 h LEU 80 Ca 0.01 -0.10 -0.03 0.00 -0.00 0.00 0.00 57.88 57.76 2ka7 h LEU 80 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.71 2ka7 h LEU 80 CO -0.00 0.05 -0.06 -0.78 -0.00 0.00 0.00 178.44 177.64 2ka7 h ASP 81 N 0.00 0.15 0.00 -0.43 3.58 -1.66 -2.56 116.42 115.51 2ka7 h ASP 81 Ca 0.00 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.42 2ka7 h ASP 81 Cb 0.78 -0.04 -0.00 0.00 1.72 0.00 0.00 39.33 41.79 2ka7 h ASP 81 CO 0.00 0.24 -1.41 0.35 -2.88 0.00 0.00 179.24 175.54 2ka7 n THR 82 N -4.37 0.02 -3.53 2.25 -2.24 -1.04 -4.59 114.28 100.79 2ka7 n THR 82 Ca -0.01 -0.21 -0.27 0.00 -2.27 0.00 0.00 64.05 61.29 2ka7 n THR 82 Cb 0.20 0.26 -0.09 0.00 -2.10 0.00 0.00 70.33 68.59 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 -1.83 1.58 0.25 -0.78 1.02 0.31 -4.91 120.64 116.28 2ka7 n GLU 83 Ca -0.02 -4.09 0.11 0.00 -0.02 0.00 0.00 57.16 53.13 2ka7 n GLU 83 Cb 0.25 -1.98 0.65 0.00 -0.02 0.00 0.00 31.44 30.34 2ka7 n GLU 83 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2ka7 h PRO 84 N 4.78 0.00 0.00 3.49 0.13 -1.70 -1.52 132.00 137.17 2ka7 h PRO 84 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2ka7 h PRO 84 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2ka7 h PRO 84 CO 0.65 0.16 0.00 1.49 -0.23 0.00 0.00 178.00 180.07 2ka7 h GLU 85 N 0.00 0.00 0.00 0.86 4.81 -1.90 -3.12 114.58 115.22 2ka7 h GLU 85 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2ka7 h GLU 85 Cb 0.40 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 2ka7 h GLU 85 CO 0.02 0.00 -0.03 1.25 -0.73 0.00 0.00 179.01 179.52 2ka7 h LEU 86 N 0.00 0.00 -1.64 1.64 6.46 -1.66 0.25 115.31 120.35 2ka7 h LEU 86 Ca 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.72 2ka7 h LEU 86 Cb 0.24 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.16 2ka7 h LEU 86 CO 0.00 0.03 -0.20 0.40 -0.62 0.00 0.00 178.44 178.05 2ka7 h ILE 87 N 0.00 1.02 0.35 4.05 2.04 -1.75 -0.87 117.51 122.35 2ka7 h ILE 87 Ca -0.00 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2ka7 h ILE 87 Cb 0.21 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.69 2ka7 h ILE 87 CO 0.00 0.19 -0.17 0.78 0.00 0.00 0.00 178.15 178.96 2ka7 h ASN 88 N 0.00 -0.40 0.10 1.72 -0.26 -0.74 -3.24 115.58 112.76 2ka7 h ASN 88 Ca -0.00 -0.15 -0.00 0.00 -0.56 0.00 0.00 56.30 55.58 2ka7 h ASN 88 Cb 0.38 0.10 0.00 0.00 -1.06 0.00 0.00 38.32 37.74 2ka7 h ASN 88 CO 0.03 -0.02 -0.05 0.50 -1.06 0.00 0.00 177.43 176.82 2ka7 h LYS 89 N -0.82 -0.13 -1.16 0.81 3.11 -1.01 -3.39 116.57 113.98 2ka7 h LYS 89 Ca -0.05 0.01 -0.30 0.00 -2.81 0.00 0.00 60.65 57.50 2ka7 h LYS 89 Cb 0.53 0.03 -0.22 0.00 -1.00 0.00 0.00 32.23 31.56 2ka7 h LYS 89 CO 0.08 0.01 -0.65 -0.25 -2.81 0.00 0.00 179.45 175.83 2ka7 n ASP 90 N -5.10 -2.37 0.26 4.20 8.00 -0.40 -5.03 116.55 116.12 2ka7 n ASP 90 Ca -0.08 -2.87 0.12 0.00 0.71 0.00 0.00 54.79 52.67 2ka7 n ASP 90 Cb 0.13 1.06 0.72 0.00 -0.02 0.00 0.00 41.12 43.01 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 4.81 0.00 -0.13 -0.24 0.13 -1.65 0.51 132.00 135.42 2ka7 h PRO 91 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2ka7 h PRO 91 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2ka7 h PRO 91 CO 0.20 0.12 0.00 0.39 -0.23 0.00 0.00 178.00 178.48 2ka7 n GLU 92 N -3.70 2.47 0.01 0.86 1.02 -1.26 -4.04 120.64 116.01 2ka7 n GLU 92 Ca -0.02 -2.23 -0.00 0.00 -0.02 0.00 0.00 57.16 54.89 2ka7 n GLU 92 Cb 0.23 -1.39 -0.00 0.00 -0.02 0.00 0.00 31.44 30.26 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 -0.55 -0.02 0.00 0.62 0.00 -1.04 -5.00 105.19 99.19 2ka7 n GLY 93 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.96 2.07 -0.60 1.61 1.02 -0.78 -4.79 120.64 116.20 2ka7 n GLU 94 Ca -0.01 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.09 2ka7 n GLU 94 Cb 0.03 -0.88 -0.00 0.00 -0.02 0.00 0.00 31.44 30.57 2ka7 n GLU 94 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ka7 n GLY 95 N 2.09 2.84 3.76 0.62 0.00 0.10 -4.89 105.19 109.70 2ka7 n GLY 95 Ca 0.00 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.31 2.49 -0.16 1.61 1.48 -1.26 -4.61 118.94 118.19 2ka7 s TRP 96 Ca 0.09 1.55 -0.12 0.00 -1.06 0.00 0.00 56.10 56.56 2ka7 s TRP 96 Cb 0.06 -3.32 -0.04 0.00 -1.16 0.00 0.00 33.47 29.01 2ka7 s TRP 96 CO -0.00 -1.92 -0.24 1.28 -4.06 0.00 0.00 176.95 172.01 2ka7 n LEU 97 N -2.02 1.85 -4.01 -4.66 4.77 -0.84 -4.64 117.00 107.47 2ka7 n LEU 97 Ca 0.12 0.53 -0.10 0.00 -0.03 0.00 0.00 56.01 56.53 2ka7 n LEU 97 Cb 0.51 -0.83 -0.06 0.00 -2.33 0.00 0.00 43.42 40.71 2ka7 n LEU 97 CO 0.46 -0.40 0.08 0.72 -1.33 0.00 0.00 177.39 176.92 2ka7 s PHE 98 N -2.48 0.46 0.10 -1.77 -0.12 -1.23 -1.22 117.98 111.73 2ka7 s PHE 98 Ca -0.20 -0.80 0.04 0.00 -0.05 0.00 0.00 56.93 55.92 2ka7 s PHE 98 Cb 0.03 0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 2ka7 s PHE 98 CO 0.30 -0.88 -0.10 0.15 -0.05 0.00 0.00 175.22 174.64 2ka7 s LYS 99 N -4.02 0.84 -0.07 1.99 1.02 0.37 -1.32 119.74 118.56 2ka7 s LYS 99 Ca 0.23 -1.15 -0.12 0.00 0.02 0.00 0.00 55.97 54.95 2ka7 s LYS 99 Cb 0.01 -0.54 0.02 0.00 -0.52 0.00 0.00 37.83 36.81 2ka7 s LYS 99 CO 0.07 0.08 0.29 0.00 -0.92 0.00 0.00 175.35 174.87 2ka7 s MET 100 N -2.75 0.48 -0.29 1.68 0.23 -0.65 -1.61 119.30 116.39 2ka7 s MET 100 Ca 0.05 0.12 -0.29 0.00 -1.03 0.00 0.00 55.69 54.54 2ka7 s MET 100 Cb -0.03 0.22 -0.00 0.00 -1.53 0.00 0.00 34.83 33.49 2ka7 s MET 100 CO 0.00 -0.10 1.37 -2.00 -2.03 0.00 0.00 175.02 172.26 2ka7 s GLU 101 N -0.53 3.87 -0.17 3.16 2.12 -0.04 -1.67 118.70 125.43 2ka7 s GLU 101 Ca -0.06 1.31 -0.29 0.00 0.36 0.00 0.00 54.97 56.28 2ka7 s GLU 101 Cb -0.04 -3.92 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 2ka7 s GLU 101 CO 0.02 -1.19 1.49 0.96 -0.54 0.00 0.00 175.26 176.00 2ka7 s ILE 102 N 4.61 3.89 -0.04 -3.70 -4.36 -0.78 -3.10 121.20 117.71 2ka7 s ILE 102 Ca 0.60 1.04 0.15 0.00 -0.26 0.00 0.00 60.65 62.18 2ka7 s ILE 102 Cb -0.18 -3.78 0.05 0.00 1.25 0.00 0.00 42.46 39.80 2ka7 s ILE 102 CO 0.25 -0.22 1.50 0.28 0.24 0.00 0.00 174.94 176.99 2ka7 h SER 103 N 9.55 0.00 -1.95 4.36 0.02 -1.92 -3.43 113.55 120.19 2ka7 h SER 103 Ca -0.32 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.21 2ka7 h SER 103 Cb 1.14 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.37 2ka7 h SER 103 CO 0.99 0.53 -0.76 -1.81 -1.14 0.00 0.00 176.83 174.63 2ka7 s ASP 104 N -6.48 0.85 0.00 3.07 1.01 -1.26 -4.96 116.67 108.90 2ka7 s ASP 104 Ca 0.03 -2.16 0.11 0.00 0.71 0.00 0.00 52.55 51.24 2ka7 s ASP 104 Cb 0.09 0.42 0.52 0.00 1.01 0.00 0.00 42.92 44.95 2ka7 s ASP 104 CO 0.74 -0.19 1.33 -1.84 0.21 0.00 0.00 175.17 175.42 2ka7 n GLU 105 N 3.50 0.06 -0.05 8.23 0.28 -1.26 -3.14 120.64 128.26 2ka7 n GLU 105 Ca 0.19 0.26 -0.11 0.00 -0.16 0.00 0.00 57.16 57.34 2ka7 n GLU 105 Cb 0.48 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.70 2ka7 n GLU 105 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2ka7 n GLY 106 N -0.33 -0.91 0.00 -1.84 0.00 -1.26 -3.63 105.19 97.23 2ka7 n GLY 106 Ca 0.04 -0.16 0.05 0.00 0.00 0.00 0.00 46.02 45.95 2ka7 n GLY 106 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2ka7 n GLU 107 N -3.03 0.15 -0.03 1.61 1.02 -1.19 -2.30 120.64 116.87 2ka7 n GLU 107 Ca -0.25 0.18 0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2ka7 n GLU 107 Cb 1.08 -1.50 0.40 0.00 -0.02 0.00 0.00 31.44 31.40 2ka7 n GLU 107 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2ka7 h LEU 108 N 0.00 0.53 -2.83 -4.62 3.38 -1.68 -2.00 115.31 108.10 2ka7 h LEU 108 Ca 0.00 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ka7 h LEU 108 Cb 0.09 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2ka7 h LEU 108 CO 0.00 0.38 -0.00 -0.33 0.09 0.00 0.00 178.44 178.58 2ka7 h GLU 109 N 0.63 0.00 -0.00 1.13 4.39 -1.71 -1.96 114.58 117.05 2ka7 h GLU 109 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2ka7 h GLU 109 Cb -0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 2ka7 h GLU 109 CO -0.04 0.00 -0.10 -3.47 -1.16 0.00 0.00 179.01 174.24 2ka7 n ASP 110 N -3.19 0.30 -4.98 1.42 2.03 -0.75 -4.88 116.55 106.51 2ka7 n ASP 110 Ca -0.03 -0.31 -0.21 0.00 0.52 0.00 0.00 54.79 54.76 2ka7 n ASP 110 Cb 0.09 -0.15 0.03 0.00 -0.72 0.00 0.00 41.12 40.37 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 -2.61 3.14 0.35 -2.67 1.43 -0.74 -5.10 118.68 112.48 2ka7 s LEU 111 Ca 0.25 -0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 52.24 2ka7 s LEU 111 Cb 0.20 -1.75 -0.09 0.00 0.03 0.00 0.00 46.19 44.57 2ka7 s LEU 111 CO 0.50 -1.11 1.04 -0.76 0.23 0.00 0.00 176.35 176.25 2ka7 s LEU 112 N -4.46 4.31 1.04 1.79 1.43 -1.03 -4.92 118.68 116.83 2ka7 s LEU 112 Ca 0.53 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.55 2ka7 s LEU 112 Cb -0.05 -3.98 0.21 0.00 0.03 0.00 0.00 46.19 42.40 2ka7 s LEU 112 CO 0.33 -0.30 1.11 -1.81 0.23 0.00 0.00 176.35 175.91 2ka7 s ASP 113 N -1.36 2.29 0.17 2.29 1.01 -1.26 -2.59 116.67 117.22 2ka7 s ASP 113 Ca 0.52 0.99 -0.01 0.00 0.71 0.00 0.00 52.55 54.76 2ka7 s ASP 113 Cb -0.24 -1.53 0.05 0.00 1.01 0.00 0.00 42.92 42.21 2ka7 s ASP 113 CO 0.31 -3.32 1.42 -0.08 0.21 0.00 0.00 175.17 173.71 2ka7 h GLU 114 N -2.02 0.37 -0.02 8.23 4.81 -1.96 0.24 114.58 124.22 2ka7 h GLU 114 Ca -0.52 -0.32 -0.02 0.00 -0.13 0.00 0.00 59.36 58.37 2ka7 h GLU 114 Cb 1.32 0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.77 2ka7 h GLU 114 CO 0.52 0.97 -0.08 0.37 -0.73 0.00 0.00 179.01 180.06 2ka7 h GLN 115 N 0.24 0.09 -0.37 1.92 4.15 -1.99 -3.29 115.11 115.86 2ka7 h GLN 115 Ca -0.04 -0.07 0.02 0.00 0.77 0.00 0.00 58.65 59.34 2ka7 h GLN 115 Cb 1.34 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 29.02 2ka7 h GLN 115 CO 0.13 0.71 0.25 0.00 -1.93 0.00 0.00 178.83 177.98 2ka7 h ALA 116 N 0.38 1.82 -0.49 3.38 0.00 -1.89 -0.03 119.26 122.44 2ka7 h ALA 116 Ca -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2ka7 h ALA 116 Cb 0.72 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2ka7 h ALA 116 CO 0.02 0.14 0.09 -0.92 0.00 0.00 0.00 179.25 178.57 2ka7 h TYR 117 N 0.43 0.13 -0.08 0.00 3.20 -0.63 -0.63 116.97 119.40 2ka7 h TYR 117 Ca 0.15 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.85 2ka7 h TYR 117 Cb 0.06 0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 2ka7 h TYR 117 CO -0.00 -0.02 -0.75 1.96 -1.64 0.00 0.00 178.16 177.71 2ka7 h GLN 118 N 0.22 0.46 -0.41 1.82 4.20 -1.10 -3.08 115.11 117.22 2ka7 h GLN 118 Ca 0.24 -0.38 0.01 0.00 0.06 0.00 0.00 58.65 58.58 2ka7 h GLN 118 Cb 0.33 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.17 2ka7 h GLN 118 CO -0.33 1.02 0.26 0.93 -0.67 0.00 0.00 178.83 180.04 2ka7 h GLU 119 N 0.31 0.52 0.00 1.46 5.08 -1.13 -1.95 114.58 118.86 2ka7 h GLU 119 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2ka7 h GLU 119 Cb 1.33 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ka7 h GLU 119 CO 0.13 0.34 0.14 0.35 -1.00 0.00 0.00 179.01 178.97 2ka7 h PHE 120 N 0.53 0.00 0.00 4.33 3.57 -1.03 -0.72 116.94 123.62 2ka7 h PHE 120 Ca 0.16 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2ka7 h PHE 120 Cb -0.03 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2ka7 h PHE 120 CO -0.06 0.00 -0.59 0.00 -2.23 0.00 0.00 178.31 175.43 2ka7 n ALA 122 N -1.84 0.83 -0.76 0.00 0.00 -0.32 -4.24 120.51 114.18 2ka7 n ALA 122 Ca 0.03 -0.58 -0.06 0.00 0.00 0.00 0.00 53.44 52.83 2ka7 n ALA 122 Cb 0.44 -0.42 -0.09 0.00 0.00 0.00 0.00 19.45 19.38 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 -4.42 1.52 0.00 0.00 10.64 -0.91 -5.15 117.38 119.07 2ka7 n GLN 123 Ca -0.34 -0.54 0.06 0.00 -1.83 0.00 0.00 57.00 54.35 2ka7 n GLN 123 Cb 0.69 -1.55 0.05 0.00 -0.86 0.00 0.00 30.24 28.56 2ka7 n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32