#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka9 s GLU 2 N 0.00 3.60 -0.08 0.03 2.56 -0.99 -4.95 118.70 118.88 2ka9 s GLU 2 Ca 0.00 0.03 -0.16 0.00 0.00 0.00 0.00 54.97 54.84 2ka9 s GLU 2 Cb 0.00 -2.57 0.04 0.00 2.00 0.00 0.00 34.13 33.60 2ka9 s GLU 2 CO 0.00 0.09 0.39 0.71 -0.56 0.00 0.00 175.26 175.89 2ka9 s TYR 3 N -2.29 -0.34 -0.24 5.30 1.51 -1.26 -2.07 117.35 117.96 2ka9 s TYR 3 Ca 0.45 0.70 -0.34 0.00 -1.01 0.00 0.00 57.07 56.87 2ka9 s TYR 3 Cb -0.10 0.15 0.16 0.00 -0.11 0.00 0.00 41.96 42.06 2ka9 s TYR 3 CO 0.34 -0.34 1.28 -2.00 -1.11 0.00 0.00 175.55 173.72 2ka9 s GLU 4 N -0.67 0.19 0.64 -0.62 2.12 -0.91 -5.03 118.70 114.42 2ka9 s GLU 4 Ca -0.08 -0.03 -0.06 0.00 0.36 0.00 0.00 54.97 55.17 2ka9 s GLU 4 Cb -0.04 0.09 0.04 0.00 0.26 0.00 0.00 34.13 34.48 2ka9 s GLU 4 CO 0.03 -0.08 0.94 -1.83 -0.54 0.00 0.00 175.26 173.79 2ka9 s GLU 5 N -1.81 2.54 0.13 4.30 -1.05 -1.26 -1.29 118.70 120.25 2ka9 s GLU 5 Ca 0.09 -0.20 -0.25 0.00 -0.15 0.00 0.00 54.97 54.46 2ka9 s GLU 5 Cb -0.01 -2.24 0.07 0.00 -0.44 0.00 0.00 34.13 31.51 2ka9 s GLU 5 CO -0.05 -0.96 0.86 -1.50 0.95 0.00 0.00 175.26 174.56 2ka9 s ILE 6 N -3.09 0.00 -0.04 1.83 2.07 0.36 -4.88 121.20 117.45 2ka9 s ILE 6 Ca 0.57 -0.44 -0.00 0.00 -1.41 0.00 0.00 60.65 59.37 2ka9 s ILE 6 Cb -0.11 -1.59 0.03 0.00 0.13 0.00 0.00 42.46 40.92 2ka9 s ILE 6 CO 0.44 0.00 0.01 0.42 -1.91 0.00 0.00 174.94 173.90 2ka9 s THR 7 N -3.39 0.19 -0.53 4.00 -4.23 -1.25 -1.18 115.64 109.25 2ka9 s THR 7 Ca 0.09 0.13 0.04 0.00 -1.18 0.00 0.00 61.69 60.77 2ka9 s THR 7 Cb -0.02 -0.32 0.14 0.00 1.34 0.00 0.00 72.50 73.64 2ka9 s THR 7 CO -0.02 0.18 0.29 -0.22 -0.54 0.00 0.00 174.62 174.30 2ka9 s LEU 8 N 1.38 4.05 0.55 4.79 2.96 0.44 -4.90 118.68 127.94 2ka9 s LEU 8 Ca -0.05 -3.06 -0.18 0.00 -0.22 0.00 0.00 54.13 50.63 2ka9 s LEU 8 Cb -0.13 -1.52 -0.06 0.00 0.50 0.00 0.00 46.19 44.99 2ka9 s LEU 8 CO -0.03 -0.22 1.06 -1.83 -1.32 0.00 0.00 176.35 174.02 2ka9 s GLU 9 N -0.33 3.47 -0.77 1.98 1.03 -1.26 -2.30 118.70 120.53 2ka9 s GLU 9 Ca 0.18 1.33 -0.25 0.00 0.03 0.00 0.00 54.97 56.26 2ka9 s GLU 9 Cb -0.22 -2.05 -0.06 0.00 -0.80 0.00 0.00 34.13 31.00 2ka9 s GLU 9 CO -0.02 -0.70 2.04 1.03 -1.33 0.00 0.00 175.26 176.28 2ka9 s ARG 10 N -3.66 2.37 0.60 -4.83 0.52 0.26 -4.61 118.95 109.60 2ka9 s ARG 10 Ca 0.66 0.24 0.29 0.00 -0.52 0.00 0.00 55.73 56.40 2ka9 s ARG 10 Cb -0.17 -4.79 1.43 0.00 0.52 0.00 0.00 34.95 31.93 2ka9 s ARG 10 CO 0.29 -3.37 1.83 0.78 0.02 0.00 0.00 175.30 174.85 2ka9 h GLY 11 N 18.42 0.00 0.00 -3.53 0.00 -1.87 -3.44 103.07 112.65 2ka9 h GLY 11 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2ka9 h GLY 11 CO 1.17 0.00 0.00 1.16 0.00 0.00 0.00 176.54 178.87 2ka9 n ASN 12 N -3.61 0.00 -1.54 0.19 0.23 -1.26 -4.95 115.26 104.31 2ka9 n ASN 12 Ca 0.09 0.00 -0.12 0.00 -0.53 0.00 0.00 54.58 54.02 2ka9 n ASN 12 Cb 0.74 0.00 0.18 0.00 -2.08 0.00 0.00 39.78 38.63 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 2ka9 n SER 13 N 0.00 3.11 0.00 0.53 3.41 -1.26 -5.04 113.62 114.37 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ka9 n GLY 14 N -1.11 -0.53 0.10 5.00 0.00 -1.26 -4.98 105.19 102.41 2ka9 n GLY 14 Ca 0.42 -1.69 -0.19 0.00 0.00 0.00 0.00 46.02 44.56 2ka9 n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 15 N 0.00 0.16 -1.00 0.99 4.07 -1.92 -3.21 115.31 114.40 2ka9 h LEU 15 Ca 0.00 -0.82 0.00 0.00 0.08 0.00 0.00 57.88 57.14 2ka9 h LEU 15 Cb 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 41.69 2ka9 h LEU 15 CO 0.00 1.35 0.00 0.61 -1.08 0.00 0.00 178.44 179.32 2ka9 n GLY 16 N 1.61 0.36 3.76 0.83 0.00 -1.26 0.46 105.19 110.95 2ka9 n GLY 16 Ca -0.21 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -1.50 -0.16 -0.09 1.61 -0.12 -1.26 -2.30 117.98 114.16 2ka9 s PHE 17 Ca 0.00 -0.17 0.04 0.00 -0.05 0.00 0.00 56.93 56.75 2ka9 s PHE 17 Cb 0.00 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 43.04 2ka9 s PHE 17 CO 0.00 -0.92 -0.22 0.45 -0.05 0.00 0.00 175.22 174.48 2ka9 s SER 18 N -2.91 2.90 0.28 1.98 0.15 0.33 -4.89 113.70 111.53 2ka9 s SER 18 Ca 0.11 -0.52 0.07 0.00 0.70 0.00 0.00 55.95 56.32 2ka9 s SER 18 Cb -0.02 -1.24 -0.06 0.00 -1.71 0.00 0.00 66.02 62.98 2ka9 s SER 18 CO 0.03 0.15 -0.06 0.27 1.20 0.00 0.00 173.24 174.83 2ka9 s ILE 19 N 0.31 1.66 0.00 6.45 -4.36 -1.26 0.11 121.20 124.11 2ka9 s ILE 19 Ca -0.16 -2.13 -0.29 0.00 -0.26 0.00 0.00 60.65 57.81 2ka9 s ILE 19 Cb -0.17 -2.45 0.10 0.00 1.25 0.00 0.00 42.46 41.19 2ka9 s ILE 19 CO 0.08 -0.30 1.03 0.00 0.24 0.00 0.00 174.94 175.98 2ka9 s ALA 20 N -3.00 -1.89 0.00 2.27 0.00 -1.18 -4.85 121.76 113.12 2ka9 s ALA 20 Ca 0.30 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2ka9 s ALA 20 Cb 0.04 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.52 2ka9 s ALA 20 CO 0.12 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.47 2ka9 n GLY 21 N -0.31 0.48 0.00 0.00 0.00 -1.26 -3.71 105.19 100.40 2ka9 n GLY 21 Ca -0.06 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.76 2ka9 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 22 N 0.00 2.42 0.37 -0.02 0.00 -1.24 -4.07 105.19 102.65 2ka9 n GLY 22 Ca 0.00 -1.65 0.19 0.00 0.00 0.00 0.00 46.02 44.56 2ka9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h THR 23 N 0.00 0.33 0.00 2.61 1.03 -0.94 -2.23 112.91 113.72 2ka9 h THR 23 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 66.41 66.38 2ka9 h THR 23 Cb 0.00 0.69 -0.00 0.00 -1.07 0.00 0.00 68.15 67.77 2ka9 h THR 23 CO 0.00 0.00 -0.14 -0.78 -0.01 0.00 0.00 175.52 174.59 2ka9 h ASP 24 N 0.00 0.00 -3.46 0.00 3.58 -1.85 -3.43 116.42 111.26 2ka9 h ASP 24 Ca 0.14 -0.37 -0.63 0.00 0.42 0.00 0.00 57.03 56.60 2ka9 h ASP 24 Cb 0.87 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.51 2ka9 h ASP 24 CO -0.00 0.76 -0.59 0.20 -2.88 0.00 0.00 179.24 176.73 2ka9 s ASN 25 N -5.88 4.65 0.14 2.28 -0.87 -0.91 -5.09 114.94 109.26 2ka9 s ASN 25 Ca -0.10 -3.61 -0.35 0.00 -1.57 0.00 0.00 52.86 47.24 2ka9 s ASN 25 Cb -0.00 -1.62 -0.16 0.00 -0.02 0.00 0.00 41.25 39.44 2ka9 s ASN 25 CO 0.29 -0.13 1.30 -2.65 -2.57 0.00 0.00 177.10 173.35 2ka9 n PRO 26 N 2.31 1.32 0.28 -0.60 -0.02 -0.89 -3.61 135.00 133.78 2ka9 n PRO 26 Ca 0.16 0.47 0.16 0.00 -2.02 0.00 0.00 63.50 62.27 2ka9 n PRO 26 Cb 0.34 -2.08 0.74 0.00 -0.02 0.00 0.00 33.50 32.48 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ka9 h HIS 27 N 4.23 0.00 0.00 6.00 2.76 -1.81 -3.17 115.15 123.16 2ka9 h HIS 27 Ca -0.46 0.00 -0.12 0.00 -2.20 0.00 0.00 60.37 57.59 2ka9 h HIS 27 Cb 1.33 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.26 2ka9 h HIS 27 CO 0.58 0.06 -1.55 0.44 -1.30 0.00 0.00 177.93 176.16 2ka9 n ILE 28 N -3.22 0.47 -0.87 6.26 -5.35 -1.26 -4.94 119.36 110.44 2ka9 n ILE 28 Ca -0.00 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2ka9 n ILE 28 Cb 0.28 -0.57 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 2ka9 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ka9 n GLY 29 N 2.39 1.26 1.14 3.28 0.00 -1.20 -4.94 105.19 107.12 2ka9 n GLY 29 Ca -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka9 n ASP 30 N 0.89 -0.39 -3.17 1.61 -0.08 -1.26 -5.06 116.55 109.09 2ka9 n ASP 30 Ca 0.00 -0.95 0.05 0.00 -1.51 0.00 0.00 54.79 52.38 2ka9 n ASP 30 Cb 0.21 0.15 -0.02 0.00 2.34 0.00 0.00 41.12 43.81 2ka9 n ASP 30 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2ka9 s ASP 31 N -0.35 -0.48 0.44 1.67 1.01 -1.26 -5.03 116.67 112.68 2ka9 s ASP 31 Ca 0.01 0.33 0.19 0.00 0.71 0.00 0.00 52.55 53.79 2ka9 s ASP 31 Cb 0.06 1.41 1.04 0.00 1.01 0.00 0.00 42.92 46.44 2ka9 s ASP 31 CO -0.02 -0.09 1.95 -0.65 0.21 0.00 0.00 175.17 176.57 2ka9 h PRO 32 N 7.93 0.00 -6.55 8.23 0.11 -1.87 -3.43 132.00 136.42 2ka9 h PRO 32 Ca -0.14 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.44 2ka9 h PRO 32 Cb 1.17 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.31 2ka9 h PRO 32 CO -0.07 0.23 0.95 -1.12 -0.21 0.00 0.00 178.00 177.78 2ka9 s SER 33 N -6.65 6.56 0.43 -2.05 0.01 -1.17 -3.11 113.70 107.72 2ka9 s SER 33 Ca -0.03 2.61 -0.20 0.00 1.31 0.00 0.00 55.95 59.63 2ka9 s SER 33 Cb 0.14 -2.58 -0.11 0.00 0.21 0.00 0.00 66.02 63.68 2ka9 s SER 33 CO 0.67 -0.87 0.95 -0.63 0.41 0.00 0.00 173.24 173.76 2ka9 s ILE 34 N 1.76 4.41 0.02 1.44 1.09 -1.26 -4.79 121.20 123.87 2ka9 s ILE 34 Ca 0.73 1.45 -0.04 0.00 -1.10 0.00 0.00 60.65 61.69 2ka9 s ILE 34 Cb -0.43 -3.61 -0.01 0.00 -1.06 0.00 0.00 42.46 37.35 2ka9 s ILE 34 CO 0.32 -0.34 0.06 0.72 -0.10 0.00 0.00 174.94 175.59 2ka9 s PHE 35 N -2.21 0.17 0.38 3.97 -0.71 -1.24 -3.82 117.98 114.52 2ka9 s PHE 35 Ca 0.62 -0.39 -0.24 0.00 -1.04 0.00 0.00 56.93 55.88 2ka9 s PHE 35 Cb -0.09 -0.13 -0.09 0.00 -1.21 0.00 0.00 43.02 41.49 2ka9 s PHE 35 CO 0.15 -0.26 1.01 0.42 -1.34 0.00 0.00 175.22 175.19 2ka9 s ILE 36 N -1.70 3.94 -0.23 -4.49 1.01 0.39 -3.09 121.20 117.03 2ka9 s ILE 36 Ca -0.13 1.47 0.08 0.00 0.00 0.00 0.00 60.65 62.08 2ka9 s ILE 36 Cb -0.07 -3.75 -0.20 0.00 0.01 0.00 0.00 42.46 38.44 2ka9 s ILE 36 CO -0.01 -0.00 -0.10 0.41 0.00 0.00 0.00 174.94 175.24 2ka9 n THR 37 N 0.01 1.46 -3.50 2.92 -1.04 0.30 -1.88 114.28 112.54 2ka9 n THR 37 Ca 0.05 -0.69 -0.10 0.00 -2.04 0.00 0.00 64.05 61.27 2ka9 n THR 37 Cb 0.50 -1.04 -0.03 0.00 -1.82 0.00 0.00 70.33 67.94 2ka9 n THR 37 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ka9 s LYS 38 N -2.51 0.87 -0.02 -2.82 0.00 -1.19 -4.82 119.74 109.25 2ka9 s LYS 38 Ca -0.25 -0.24 0.05 0.00 0.00 0.00 0.00 55.97 55.54 2ka9 s LYS 38 Cb 0.08 0.40 -0.03 0.00 0.00 0.00 0.00 37.83 38.28 2ka9 s LYS 38 CO 0.69 -0.36 -0.18 0.42 0.00 0.00 0.00 175.35 175.92 2ka9 s ILE 39 N -2.86 2.77 -0.18 3.79 1.01 -1.26 0.12 121.20 124.59 2ka9 s ILE 39 Ca 0.03 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 59.51 2ka9 s ILE 39 Cb -0.01 -2.08 -0.02 0.00 0.01 0.00 0.00 42.46 40.36 2ka9 s ILE 39 CO -0.07 0.53 0.77 -0.63 0.00 0.00 0.00 174.94 175.54 2ka9 s ILE 40 N -0.75 4.92 -0.49 2.92 1.01 -0.97 -4.94 121.20 122.90 2ka9 s ILE 40 Ca 0.12 1.50 -0.11 0.00 0.00 0.00 0.00 60.65 62.16 2ka9 s ILE 40 Cb -0.10 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.18 2ka9 s ILE 40 CO 0.01 0.05 1.67 -2.65 0.00 0.00 0.00 174.94 174.03 2ka9 n PRO 41 N 5.15 1.05 0.08 2.79 -0.02 -1.26 -3.11 135.00 139.69 2ka9 n PRO 41 Ca 0.03 -1.19 0.00 0.00 -2.02 0.00 0.00 63.50 60.32 2ka9 n PRO 41 Cb 0.49 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 42 N 4.17 -1.09 1.86 -1.23 0.00 -1.26 -5.10 105.19 102.55 2ka9 n GLY 42 Ca 0.33 0.22 -0.18 0.00 0.00 0.00 0.00 46.02 46.39 2ka9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 43 N -1.39 -3.85 0.14 -0.02 0.00 -1.18 -4.89 105.19 93.99 2ka9 n GLY 43 Ca 0.00 -1.27 0.01 0.00 0.00 0.00 0.00 46.02 44.76 2ka9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 44 N -2.96 0.76 -0.22 4.61 0.00 -0.14 -3.14 119.26 118.16 2ka9 h ALA 44 Ca -0.23 -0.55 0.06 0.00 0.00 0.00 0.00 54.91 54.20 2ka9 h ALA 44 Cb 0.78 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2ka9 h ALA 44 CO 0.14 0.75 0.17 0.00 0.00 0.00 0.00 179.25 180.31 2ka9 h ALA 45 N 1.40 2.14 0.00 0.00 0.00 -0.91 0.17 119.26 122.06 2ka9 h ALA 45 Ca -0.01 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2ka9 h ALA 45 Cb 1.26 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2ka9 h ALA 45 CO 0.08 -0.29 -0.67 0.00 0.00 0.00 0.00 179.25 178.38 2ka9 h ALA 46 N 1.87 0.65 -0.18 0.00 0.00 -1.75 1.18 119.26 121.03 2ka9 h ALA 46 Ca 0.11 -0.61 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2ka9 h ALA 46 Cb 0.45 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ka9 h ALA 46 CO -0.00 0.83 -0.37 1.96 0.00 0.00 0.00 179.25 181.67 2ka9 h GLN 47 N 0.00 0.57 0.02 0.00 4.20 -0.79 -3.29 115.11 115.82 2ka9 h GLN 47 Ca -0.01 -0.37 -0.31 0.00 0.06 0.00 0.00 58.65 58.02 2ka9 h GLN 47 Cb 1.41 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.19 2ka9 h GLN 47 CO 0.09 0.98 -1.83 -0.25 -0.67 0.00 0.00 178.83 177.15 2ka9 n ASP 48 N -4.29 0.99 0.00 1.46 8.00 -0.72 -4.96 116.55 117.02 2ka9 n ASP 48 Ca -0.06 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.77 2ka9 n ASP 48 Cb 0.52 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2ka9 n ASP 48 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ka9 n GLY 49 N 1.65 2.73 2.54 0.44 0.00 0.41 -4.42 105.19 108.55 2ka9 n GLY 49 Ca -0.21 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 2ka9 n GLY 49 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ka9 n ARG 50 N -0.49 -2.65 -0.33 1.61 0.63 -1.25 -4.52 116.66 109.66 2ka9 n ARG 50 Ca 0.00 0.27 0.05 0.00 -0.92 0.00 0.00 57.85 57.24 2ka9 n ARG 50 Cb 0.00 -4.82 -0.01 0.00 0.45 0.00 0.00 32.46 28.08 2ka9 n ARG 50 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2ka9 n LEU 51 N -2.70 0.00 -4.68 6.15 4.32 -1.26 -4.73 117.00 114.10 2ka9 n LEU 51 Ca -0.06 0.36 -0.45 0.00 -0.02 0.00 0.00 56.01 55.84 2ka9 n LEU 51 Cb 0.55 -1.01 -0.04 0.00 -1.62 0.00 0.00 43.42 41.30 2ka9 n LEU 51 CO 0.11 -1.43 1.19 0.54 -1.22 0.00 0.00 177.39 176.58 2ka9 n ARG 52 N -2.08 2.25 -0.30 3.23 5.12 -1.26 -4.86 116.66 118.76 2ka9 n ARG 52 Ca 0.00 0.81 0.12 0.00 -1.93 0.00 0.00 57.85 56.85 2ka9 n ARG 52 Cb 0.15 -2.57 0.36 0.00 -1.16 0.00 0.00 32.46 29.24 2ka9 n ARG 52 CO 0.00 0.00 0.00 -0.39 -1.93 0.00 0.00 177.63 175.31 2ka9 h VAL 53 N 3.53 0.81 0.00 1.55 -1.51 -1.85 0.55 116.25 119.34 2ka9 h VAL 53 Ca -0.45 -0.25 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 2ka9 h VAL 53 Cb 1.25 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2ka9 h VAL 53 CO 0.87 0.13 0.00 0.59 -1.23 0.00 0.00 177.57 177.93 2ka9 n ASN 54 N -4.60 0.00 -3.80 4.19 3.02 -0.79 0.15 115.26 113.42 2ka9 n ASN 54 Ca 0.19 0.13 -0.29 0.00 -0.03 0.00 0.00 54.58 54.58 2ka9 n ASN 54 Cb 0.49 -0.20 0.26 0.00 -0.61 0.00 0.00 39.78 39.72 2ka9 n ASN 54 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2ka9 n ASP 55 N -1.20 -3.12 -3.79 6.41 5.75 0.18 -4.69 116.55 116.10 2ka9 n ASP 55 Ca 0.02 -0.53 -0.30 0.00 -0.01 0.00 0.00 54.79 53.97 2ka9 n ASP 55 Cb 0.02 -1.07 -0.15 0.00 -1.03 0.00 0.00 41.12 38.89 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2ka9 s SER 56 N -2.62 3.93 -0.78 -1.12 0.15 0.14 -3.89 113.70 109.51 2ka9 s SER 56 Ca 0.64 -1.51 -0.25 0.00 0.70 0.00 0.00 55.95 55.53 2ka9 s SER 56 Cb -0.17 -0.95 -0.17 0.00 -1.71 0.00 0.00 66.02 63.03 2ka9 s SER 56 CO 0.59 -0.37 2.46 2.30 1.20 0.00 0.00 173.24 179.42 2ka9 n ILE 57 N 4.79 -0.03 -0.09 6.45 -0.00 -1.25 -1.97 119.36 127.26 2ka9 n ILE 57 Ca -0.04 -0.46 0.03 0.00 -0.00 0.00 0.00 62.75 62.28 2ka9 n ILE 57 Cb 0.43 -1.55 0.36 0.00 -0.00 0.00 0.00 39.64 38.88 2ka9 n ILE 57 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 2ka9 h LEU 58 N 16.66 0.62 -7.03 7.28 3.38 -0.76 -3.36 115.31 132.10 2ka9 h LEU 58 Ca -0.10 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2ka9 h LEU 58 Cb 1.21 -0.15 -0.22 0.00 0.09 0.00 0.00 40.66 41.59 2ka9 h LEU 58 CO 1.27 0.45 -0.12 -0.36 0.09 0.00 0.00 178.44 179.76 2ka9 s PHE 59 N -5.63 -1.16 -0.21 1.13 0.08 0.58 -4.44 117.98 108.32 2ka9 s PHE 59 Ca -0.09 2.12 -0.03 0.00 0.12 0.00 0.00 56.93 59.05 2ka9 s PHE 59 Cb 0.18 0.67 0.00 0.00 -0.57 0.00 0.00 43.02 43.29 2ka9 s PHE 59 CO 0.75 -0.59 -0.08 0.14 -0.10 0.00 0.00 175.22 175.34 2ka9 s VAL 60 N 2.40 3.01 -1.45 -0.44 -7.23 -0.99 0.13 120.40 115.82 2ka9 s VAL 60 Ca -0.07 -0.63 -0.10 0.00 -1.81 0.00 0.00 61.98 59.37 2ka9 s VAL 60 Cb -0.10 -2.35 0.06 0.00 0.56 0.00 0.00 36.38 34.55 2ka9 s VAL 60 CO -0.18 0.45 0.76 0.59 -0.31 0.00 0.00 175.10 176.40 2ka9 n ASN 61 N 4.75 -4.85 -1.88 4.85 3.02 -0.58 -0.17 115.26 120.40 2ka9 n ASN 61 Ca -0.19 -0.54 -0.16 0.00 -0.03 0.00 0.00 54.58 53.66 2ka9 n ASN 61 Cb 0.50 -3.91 -0.01 0.00 -0.61 0.00 0.00 39.78 35.76 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2ka9 n GLU 62 N -4.26 -1.45 -5.17 3.52 -0.58 -1.26 -5.00 120.64 106.43 2ka9 n GLU 62 Ca -0.01 0.78 -0.32 0.00 -0.42 0.00 0.00 57.16 57.19 2ka9 n GLU 62 Cb 0.55 -5.18 -0.16 0.00 -0.57 0.00 0.00 31.44 26.08 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 2ka9 s VAL 63 N -2.82 2.25 -1.16 2.62 1.01 0.76 -5.04 120.40 118.01 2ka9 s VAL 63 Ca 0.02 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.80 2ka9 s VAL 63 Cb -0.01 -1.84 -0.06 0.00 0.00 0.00 0.00 36.38 34.47 2ka9 s VAL 63 CO 0.02 0.56 1.91 0.47 0.00 0.00 0.00 175.10 178.06 2ka9 n ASP 64 N 3.11 3.45 -1.92 3.32 8.00 -1.26 -2.35 116.55 128.89 2ka9 n ASP 64 Ca -0.18 -2.75 -0.22 0.00 0.71 0.00 0.00 54.79 52.35 2ka9 n ASP 64 Cb 0.52 -1.63 0.12 0.00 -0.02 0.00 0.00 41.12 40.12 2ka9 n ASP 64 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka9 n VAL 65 N 7.01 3.03 0.81 2.53 0.31 -1.26 -4.44 118.33 126.31 2ka9 n VAL 65 Ca 0.47 -2.94 0.11 0.00 -0.01 0.00 0.00 64.34 61.98 2ka9 n VAL 65 Cb 0.45 -0.78 0.12 0.00 -0.91 0.00 0.00 33.84 32.72 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2ka9 n ARG 66 N -0.99 2.21 -1.70 5.55 1.85 -1.26 -4.46 116.66 117.87 2ka9 n ARG 66 Ca 0.50 -1.93 -0.04 0.00 -1.00 0.00 0.00 57.85 55.38 2ka9 n ARG 66 Cb 1.03 -1.45 0.01 0.00 -1.05 0.00 0.00 32.46 31.01 2ka9 n ARG 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2ka9 n GLU 67 N 1.31 0.54 -4.38 2.89 1.02 -1.26 -3.04 120.64 117.71 2ka9 n GLU 67 Ca 0.14 -1.37 -0.21 0.00 -0.02 0.00 0.00 57.16 55.70 2ka9 n GLU 67 Cb 0.57 0.26 -0.10 0.00 -0.02 0.00 0.00 31.44 32.15 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka9 s VAL 68 N -0.24 1.99 1.00 2.62 1.01 -1.26 -4.65 120.40 120.88 2ka9 s VAL 68 Ca 0.09 -2.17 -0.16 0.00 0.00 0.00 0.00 61.98 59.74 2ka9 s VAL 68 Cb 0.21 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2ka9 s VAL 68 CO -0.06 -0.44 0.04 0.41 0.00 0.00 0.00 175.10 175.05 2ka9 n THR 69 N -0.21 0.00 -0.02 3.92 -1.04 -1.26 -0.87 114.28 114.80 2ka9 n THR 69 Ca -0.09 -0.25 -0.11 0.00 -2.04 0.00 0.00 64.05 61.56 2ka9 n THR 69 Cb 0.59 -0.50 -0.05 0.00 -1.82 0.00 0.00 70.33 68.55 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ka9 h HIS 70 N -1.60 0.18 -0.89 -1.42 2.76 -1.83 -2.69 115.15 109.66 2ka9 h HIS 70 Ca -0.46 -0.00 0.18 0.00 -2.20 0.00 0.00 60.37 57.89 2ka9 h HIS 70 Cb 1.31 -0.06 -0.07 0.00 1.55 0.00 0.00 27.41 30.14 2ka9 h HIS 70 CO 0.28 0.18 0.58 1.03 -1.30 0.00 0.00 177.93 178.71 2ka9 h SER 71 N 0.13 0.50 -0.04 3.26 0.87 -1.91 0.16 113.55 116.51 2ka9 h SER 71 Ca 0.05 0.04 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 2ka9 h SER 71 Cb 0.06 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 2ka9 h SER 71 CO -0.01 0.22 -0.31 0.00 -0.53 0.00 0.00 176.83 176.20 2ka9 h ALA 72 N 1.61 1.00 -0.21 6.23 0.00 -1.82 -0.03 119.26 126.04 2ka9 h ALA 72 Ca 0.46 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 2ka9 h ALA 72 Cb 0.99 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2ka9 h ALA 72 CO -0.20 0.60 -0.52 0.00 0.00 0.00 0.00 179.25 179.13 2ka9 h ALA 73 N 1.22 0.35 -0.44 0.00 0.00 -0.61 -1.49 119.26 118.29 2ka9 h ALA 73 Ca 0.05 -0.50 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2ka9 h ALA 73 Cb 0.77 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ka9 h ALA 73 CO 0.06 0.54 0.03 0.28 0.00 0.00 0.00 179.25 180.16 2ka9 h VAL 74 N 0.44 1.22 -0.14 0.00 2.07 -0.84 -1.51 116.25 117.49 2ka9 h VAL 74 Ca -0.01 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 2ka9 h VAL 74 Cb 1.14 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 2ka9 h VAL 74 CO 0.11 0.31 -0.43 -0.33 0.02 0.00 0.00 177.57 177.26 2ka9 h GLU 75 N 0.66 0.33 -0.34 1.57 4.39 -0.86 0.74 114.58 121.07 2ka9 h GLU 75 Ca 0.14 -0.16 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2ka9 h GLU 75 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 2ka9 h GLU 75 CO 0.01 0.70 -0.29 0.00 -1.16 0.00 0.00 179.01 178.27 2ka9 h ALA 76 N 1.28 0.49 0.00 3.43 0.00 -0.64 0.24 119.26 124.06 2ka9 h ALA 76 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 2ka9 h ALA 76 Cb 0.87 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2ka9 h ALA 76 CO 0.07 0.51 -0.68 1.37 0.00 0.00 0.00 179.25 180.52 2ka9 h LEU 77 N 0.57 0.00 -0.32 0.00 8.10 -1.18 -2.05 115.31 120.42 2ka9 h LEU 77 Ca 0.06 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.85 2ka9 h LEU 77 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.09 2ka9 h LEU 77 CO 0.07 0.68 -0.68 0.50 -4.11 0.00 0.00 178.44 174.91 2ka9 h LYS 78 N 0.00 0.66 -0.81 0.17 3.64 0.67 -2.95 116.57 117.95 2ka9 h LYS 78 Ca -0.01 -0.49 -0.30 0.00 -1.27 0.00 0.00 60.65 58.59 2ka9 h LYS 78 Cb 1.51 0.09 -0.18 0.00 -0.41 0.00 0.00 32.23 33.24 2ka9 h LYS 78 CO 0.09 1.11 0.37 0.39 -2.27 0.00 0.00 179.45 179.14 2ka9 n GLU 79 N -3.93 3.35 0.08 1.90 1.02 0.82 -4.26 120.64 119.63 2ka9 n GLU 79 Ca -0.05 -3.08 0.04 0.00 -0.02 0.00 0.00 57.16 54.05 2ka9 n GLU 79 Cb 0.69 -2.21 -0.03 0.00 -0.02 0.00 0.00 31.44 29.87 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ka9 h ALA 80 N 2.25 0.63 0.00 0.62 0.00 -1.18 -3.48 119.26 118.10 2ka9 h ALA 80 Ca 0.36 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ka9 h ALA 80 Cb 2.48 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.40 2ka9 h ALA 80 CO 0.84 0.56 0.00 0.41 0.00 0.00 0.00 179.25 181.05 2ka9 n GLY 81 N 1.29 -0.56 1.36 0.00 0.00 -1.26 -4.19 105.19 101.84 2ka9 n GLY 81 Ca -0.04 -1.52 0.10 0.00 0.00 0.00 0.00 46.02 44.56 2ka9 n GLY 81 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ka9 n SER 82 N 0.37 4.14 -3.32 1.61 7.64 -1.26 -4.71 113.62 118.10 2ka9 n SER 82 Ca 0.00 -2.17 -0.11 0.00 1.01 0.00 0.00 58.87 57.60 2ka9 n SER 82 Cb 0.00 -0.50 -0.06 0.00 -1.01 0.00 0.00 64.21 62.64 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 83 N -1.31 -0.54 0.22 0.44 1.01 -1.26 0.92 121.20 120.67 2ka9 s ILE 83 Ca 0.47 -0.61 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 2ka9 s ILE 83 Cb 0.27 -0.61 -0.07 0.00 0.01 0.00 0.00 42.46 42.06 2ka9 s ILE 83 CO 0.29 -0.39 0.55 -0.69 0.00 0.00 0.00 174.94 174.70 2ka9 s VAL 84 N 1.79 4.91 -0.27 2.92 1.01 -0.97 -4.89 120.40 124.90 2ka9 s VAL 84 Ca 0.15 0.54 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 2ka9 s VAL 84 Cb -0.12 -3.63 0.09 0.00 0.00 0.00 0.00 36.38 32.71 2ka9 s VAL 84 CO -0.11 -0.02 0.11 -0.60 0.00 0.00 0.00 175.10 174.48 2ka9 s ARG 85 N -2.68 0.33 0.09 2.72 3.00 -1.26 -0.42 118.95 120.73 2ka9 s ARG 85 Ca 0.46 -0.58 0.04 0.00 -1.00 0.00 0.00 55.73 54.65 2ka9 s ARG 85 Cb -0.12 -1.53 -0.03 0.00 0.00 0.00 0.00 34.95 33.27 2ka9 s ARG 85 CO 0.21 -0.93 -0.11 -0.48 0.00 0.00 0.00 175.30 173.99 2ka9 s LEU 86 N 1.97 2.37 -0.31 -0.88 2.34 -0.32 -1.52 118.68 122.32 2ka9 s LEU 86 Ca 0.07 -0.76 -0.09 0.00 0.06 0.00 0.00 54.13 53.42 2ka9 s LEU 86 Cb -0.16 -0.33 0.00 0.00 -0.56 0.00 0.00 46.19 45.14 2ka9 s LEU 86 CO -0.28 -0.23 0.13 -0.47 -1.06 0.00 0.00 176.35 174.45 2ka9 s TYR 87 N -2.16 3.17 0.38 3.48 6.14 0.34 -0.49 117.35 128.22 2ka9 s TYR 87 Ca 0.03 -0.75 0.08 0.00 0.64 0.00 0.00 57.07 57.07 2ka9 s TYR 87 Cb -0.05 -2.33 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 2ka9 s TYR 87 CO 0.00 -0.52 0.40 0.14 0.64 0.00 0.00 175.55 176.22 2ka9 s VAL 88 N 1.57 3.14 -0.19 3.14 -7.23 -0.41 -0.08 120.40 120.34 2ka9 s VAL 88 Ca 0.04 -1.24 -0.03 0.00 -1.81 0.00 0.00 61.98 58.93 2ka9 s VAL 88 Cb -0.17 -3.10 0.06 0.00 0.56 0.00 0.00 36.38 33.73 2ka9 s VAL 88 CO 0.05 -0.07 0.05 -0.32 -0.31 0.00 0.00 175.10 174.51 2ka9 s MET 89 N -4.14 0.47 -0.35 4.82 1.75 -0.83 -2.14 119.30 118.87 2ka9 s MET 89 Ca 0.47 -0.33 -0.04 0.00 -1.25 0.00 0.00 55.69 54.54 2ka9 s MET 89 Cb -0.06 -2.01 0.07 0.00 2.84 0.00 0.00 34.83 35.66 2ka9 s MET 89 CO 0.29 -0.66 0.10 0.50 -0.65 0.00 0.00 175.02 174.59 2ka9 s ARG 90 N 1.94 2.37 0.35 4.11 3.52 -0.88 -0.68 118.95 129.68 2ka9 s ARG 90 Ca 0.00 -1.41 -0.28 0.00 -0.13 0.00 0.00 55.73 53.92 2ka9 s ARG 90 Cb -0.17 -3.39 -0.10 0.00 -1.56 0.00 0.00 34.95 29.73 2ka9 s ARG 90 CO -0.09 -0.77 1.26 0.50 -0.81 0.00 0.00 175.30 175.39 2ka9 s ARG 91 N 1.27 4.27 -0.47 5.12 3.52 -1.26 -2.33 118.95 129.06 2ka9 s ARG 91 Ca -0.00 2.11 0.08 0.00 -0.13 0.00 0.00 55.73 57.79 2ka9 s ARG 91 Cb -0.21 -2.97 0.29 0.00 -1.56 0.00 0.00 34.95 30.50 2ka9 s ARG 91 CO -0.01 -0.22 0.69 1.63 -0.81 0.00 0.00 175.30 176.58 2ka9 n LYS 92 N 0.61 1.57 -0.08 5.12 5.02 -1.26 -4.89 118.16 124.25 2ka9 n LYS 92 Ca 0.01 -3.84 -0.08 0.00 -2.02 0.00 0.00 58.31 52.38 2ka9 n LYS 92 Cb 0.43 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 2ka9 n LYS 92 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 2ka9 h PRO 93 N 3.66 0.33 0.00 1.97 0.11 -2.03 -3.45 132.00 132.59 2ka9 h PRO 93 Ca 0.12 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.21 2ka9 h PRO 93 Cb 0.79 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.83 2ka9 h PRO 93 CO 0.61 0.22 0.00 -0.35 -0.21 0.00 0.00 178.00 178.27 2ka9 n PRO 94 N -4.94 0.97 -0.92 1.05 -0.04 -1.26 -4.57 135.00 125.29 2ka9 n PRO 94 Ca -0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2ka9 n PRO 94 Cb 0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.50 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka9 n ALA 95 N -3.00 2.75 -3.31 0.55 0.00 -1.26 -4.50 120.51 111.74 2ka9 n ALA 95 Ca 0.00 -0.96 -0.01 0.00 0.00 0.00 0.00 53.44 52.47 2ka9 n ALA 95 Cb 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 19.45 19.08 2ka9 n ALA 95 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ka9 n GLU 96 N 0.12 0.40 -2.69 0.00 -0.58 -1.26 -4.65 120.64 111.97 2ka9 n GLU 96 Ca -0.09 -0.87 -0.06 0.00 -0.42 0.00 0.00 57.16 55.71 2ka9 n GLU 96 Cb 0.76 1.04 0.00 0.00 -0.57 0.00 0.00 31.44 32.67 2ka9 n GLU 96 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2ka9 n LYS 97 N -0.20 0.52 -3.86 3.49 2.85 -1.26 -4.88 118.16 114.81 2ka9 n LYS 97 Ca -0.03 -1.37 -0.34 0.00 -1.05 0.00 0.00 58.31 55.52 2ka9 n LYS 97 Cb 0.22 1.51 -0.05 0.00 -0.65 0.00 0.00 35.03 36.06 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2ka9 s VAL 98 N -2.57 5.41 0.36 0.58 1.01 -1.26 -1.42 120.40 122.51 2ka9 s VAL 98 Ca 0.12 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.20 2ka9 s VAL 98 Cb -0.02 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2ka9 s VAL 98 CO 0.09 0.39 -0.01 -0.32 0.00 0.00 0.00 175.10 175.25 2ka9 s MET 99 N -1.71 1.98 -0.24 2.72 1.75 0.12 -4.97 119.30 118.95 2ka9 s MET 99 Ca 0.25 -1.90 -0.02 0.00 -1.25 0.00 0.00 55.69 52.77 2ka9 s MET 99 Cb -0.13 -1.80 0.07 0.00 2.84 0.00 0.00 34.83 35.82 2ka9 s MET 99 CO 0.15 0.08 0.05 -2.00 -0.65 0.00 0.00 175.02 172.65 2ka9 s GLU 100 N -3.70 0.74 0.21 4.11 2.12 -1.26 -1.79 118.70 119.14 2ka9 s GLU 100 Ca 0.35 -0.67 0.10 0.00 0.36 0.00 0.00 54.97 55.10 2ka9 s GLU 100 Cb 0.03 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.30 2ka9 s GLU 100 CO 0.18 -0.76 -0.11 0.42 -0.54 0.00 0.00 175.26 174.45 2ka9 s ILE 101 N 1.75 3.04 -0.16 -3.70 -1.09 -0.20 -4.97 121.20 115.87 2ka9 s ILE 101 Ca 0.02 -1.84 -0.01 0.00 -2.23 0.00 0.00 60.65 56.60 2ka9 s ILE 101 Cb -0.17 -2.53 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 2ka9 s ILE 101 CO -0.14 -0.19 -0.13 -1.59 -1.23 0.00 0.00 174.94 171.66 2ka9 s LYS 102 N -3.02 3.30 -0.15 2.79 -2.85 -1.26 0.11 119.74 118.66 2ka9 s LYS 102 Ca 0.26 -0.71 0.00 0.00 -1.00 0.00 0.00 55.97 54.52 2ka9 s LYS 102 Cb -0.08 -2.69 0.03 0.00 -2.06 0.00 0.00 37.83 33.03 2ka9 s LYS 102 CO 0.15 0.05 -0.11 -1.17 0.10 0.00 0.00 175.35 174.37 2ka9 s LEU 103 N 0.76 1.64 0.02 2.77 0.20 0.82 -2.94 118.68 121.95 2ka9 s LEU 103 Ca -0.05 -0.52 -0.07 0.00 0.69 0.00 0.00 54.13 54.17 2ka9 s LEU 103 Cb -0.15 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.49 2ka9 s LEU 103 CO 0.01 -0.10 0.29 0.27 -0.29 0.00 0.00 176.35 176.53 2ka9 s ILE 104 N 1.55 5.26 0.73 6.68 -4.36 -1.26 -1.79 121.20 128.01 2ka9 s ILE 104 Ca 0.03 0.23 -0.12 0.00 -0.26 0.00 0.00 60.65 60.53 2ka9 s ILE 104 Cb -0.14 -3.58 0.03 0.00 1.25 0.00 0.00 42.46 40.02 2ka9 s ILE 104 CO -0.09 0.35 1.09 -0.75 0.24 0.00 0.00 174.94 175.78 2ka9 s LYS 105 N -1.78 2.51 0.19 0.37 2.20 0.18 -4.38 119.74 119.03 2ka9 s LYS 105 Ca 0.28 1.21 0.03 0.00 -0.36 0.00 0.00 55.97 57.14 2ka9 s LYS 105 Cb -0.13 -1.93 -0.01 0.00 -1.51 0.00 0.00 37.83 34.25 2ka9 s LYS 105 CO 0.16 -1.45 0.12 0.41 -0.36 0.00 0.00 175.35 174.23 2ka9 n GLY 106 N -1.09 3.53 0.28 5.54 0.00 0.44 -4.95 105.19 108.93 2ka9 n GLY 106 Ca 0.09 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.12 2ka9 n GLY 106 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ka9 h PRO 107 N 0.00 0.96 -0.75 1.61 0.11 -1.98 -2.63 132.00 129.32 2ka9 h PRO 107 Ca -0.14 -0.37 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2ka9 h PRO 107 Cb 0.64 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.70 2ka9 h PRO 107 CO 0.22 1.04 0.00 1.63 -0.21 0.00 0.00 178.00 180.68 2ka9 n LYS 108 N -4.19 3.36 0.00 1.05 5.02 -1.26 -5.01 118.16 117.13 2ka9 n LYS 108 Ca 0.00 -1.91 0.00 0.00 -2.02 0.00 0.00 58.31 54.39 2ka9 n LYS 108 Cb 0.41 -1.97 0.00 0.00 -0.02 0.00 0.00 35.03 33.45 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2ka9 n GLY 109 N 0.38 0.78 0.13 0.72 0.00 -0.99 -4.36 105.19 101.85 2ka9 n GLY 109 Ca 0.17 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.56 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 110 N 0.00 0.00 -2.80 0.99 4.07 -1.88 1.27 115.31 116.97 2ka9 h LEU 110 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.94 2ka9 h LEU 110 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 2ka9 h LEU 110 CO 0.00 0.23 -0.07 0.61 -1.08 0.00 0.00 178.44 178.14 2ka9 n GLY 111 N 1.23 0.70 3.63 0.83 0.00 -1.26 -3.33 105.19 106.98 2ka9 n GLY 111 Ca -0.01 -0.25 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 2ka9 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 112 N -3.03 -0.06 -0.23 1.61 -0.71 -1.26 -3.62 117.98 110.68 2ka9 s PHE 112 Ca 0.03 0.07 -0.01 0.00 -1.04 0.00 0.00 56.93 55.98 2ka9 s PHE 112 Cb -0.00 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 42.33 2ka9 s PHE 112 CO 0.06 -0.08 -0.10 0.45 -1.34 0.00 0.00 175.22 174.21 2ka9 s SER 113 N -1.59 3.99 0.08 1.98 0.15 0.40 -4.97 113.70 113.74 2ka9 s SER 113 Ca 0.09 -0.77 0.03 0.00 0.70 0.00 0.00 55.95 56.00 2ka9 s SER 113 Cb -0.01 -1.62 -0.03 0.00 -1.71 0.00 0.00 66.02 62.65 2ka9 s SER 113 CO -0.05 -0.08 -0.09 0.27 1.20 0.00 0.00 173.24 174.49 2ka9 s ILE 114 N 1.32 0.81 -0.14 6.45 -4.36 -1.26 0.05 121.20 124.07 2ka9 s ILE 114 Ca 0.02 -1.56 -0.06 0.00 -0.26 0.00 0.00 60.65 58.79 2ka9 s ILE 114 Cb -0.15 -1.24 0.06 0.00 1.25 0.00 0.00 42.46 42.38 2ka9 s ILE 114 CO -0.07 -0.57 0.30 0.00 0.24 0.00 0.00 174.94 174.85 2ka9 s ALA 115 N -2.39 -0.73 0.19 2.27 0.00 -0.13 -4.98 121.76 116.00 2ka9 s ALA 115 Ca 0.03 1.14 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 2ka9 s ALA 115 Cb -0.03 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.18 2ka9 s ALA 115 CO -0.01 -0.46 0.33 0.41 0.00 0.00 0.00 175.76 176.04 2ka9 n GLY 116 N 4.83 1.98 1.98 0.00 0.00 -1.26 -2.76 105.19 109.96 2ka9 n GLY 116 Ca -0.15 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2ka9 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 117 N -0.28 -2.44 3.85 -0.02 0.00 0.37 -3.72 105.19 102.94 2ka9 n GLY 117 Ca -0.02 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 2ka9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka9 s VAL 118 N -0.65 4.60 0.00 1.61 1.01 -1.26 -3.52 120.40 122.19 2ka9 s VAL 118 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.04 2ka9 s VAL 118 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2ka9 s VAL 118 CO 0.00 -0.67 0.00 0.61 0.00 0.00 0.00 175.10 175.04 2ka9 n GLY 119 N -1.57 0.56 2.68 4.51 0.00 -1.26 -1.56 105.19 108.55 2ka9 n GLY 119 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 2ka9 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ka9 n ASN 120 N -0.12 -1.59 -0.22 1.61 5.15 -1.24 -4.86 115.26 113.99 2ka9 n ASN 120 Ca 0.00 -2.25 0.15 0.00 -0.60 0.00 0.00 54.58 51.88 2ka9 n ASN 120 Cb 0.06 1.17 0.29 0.00 -0.53 0.00 0.00 39.78 40.77 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2ka9 n GLN 121 N -0.27 -0.05 0.00 1.20 1.13 -1.23 -4.11 117.38 114.06 2ka9 n GLN 121 Ca -0.11 0.96 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2ka9 n GLN 121 Cb 0.74 -1.62 0.00 0.00 0.11 0.00 0.00 30.24 29.47 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 2ka9 n HIS 122 N -4.71 0.00 -5.04 1.08 -0.00 -1.26 -4.53 115.22 100.77 2ka9 n HIS 122 Ca 0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.63 2ka9 n HIS 122 Cb 0.68 0.00 -0.17 0.00 -0.00 0.00 0.00 29.99 30.50 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 1.78 -0.86 3.57 1.01 -1.26 -5.05 121.20 120.39 2ka9 s ILE 123 Ca 0.00 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.59 2ka9 s ILE 123 Cb 0.00 -1.55 -0.21 0.00 0.01 0.00 0.00 42.46 40.71 2ka9 s ILE 123 CO 0.00 0.50 2.27 -0.81 0.00 0.00 0.00 174.94 176.90 2ka9 n PRO 124 N 3.52 0.32 -1.24 2.79 -0.04 -1.26 -1.50 135.00 137.59 2ka9 n PRO 124 Ca -0.20 -0.56 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2ka9 n PRO 124 Cb 0.53 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 125 N 6.25 0.73 2.57 0.55 0.00 -1.26 -5.07 105.19 108.96 2ka9 n GLY 125 Ca 0.53 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 2ka9 n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka9 n ASP 126 N 0.15 -1.98 0.23 1.61 2.03 -0.56 -4.98 116.55 113.05 2ka9 n ASP 126 Ca 0.00 -2.73 0.18 0.00 0.52 0.00 0.00 54.79 52.76 2ka9 n ASP 126 Cb 0.28 0.69 0.81 0.00 -0.72 0.00 0.00 41.12 42.17 2ka9 n ASP 126 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 2ka9 h ASN 127 N 5.05 0.00 -3.45 1.67 2.35 -1.84 -3.40 115.58 115.96 2ka9 h ASN 127 Ca 0.12 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.30 2ka9 h ASN 127 Cb 1.01 0.00 0.14 0.00 0.05 0.00 0.00 38.32 39.52 2ka9 h ASN 127 CO 0.22 0.00 0.29 -1.20 -1.65 0.00 0.00 177.43 175.08 2ka9 n SER 128 N -3.34 1.61 -4.64 5.81 7.64 -1.26 0.14 113.62 119.58 2ka9 n SER 128 Ca 0.02 0.98 -0.43 0.00 1.01 0.00 0.00 58.87 60.45 2ka9 n SER 128 Cb 0.45 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.20 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 129 N -1.33 4.56 0.21 0.44 1.01 -1.23 -4.45 121.20 120.42 2ka9 s ILE 129 Ca 0.67 1.82 0.09 0.00 0.00 0.00 0.00 60.65 63.24 2ka9 s ILE 129 Cb -0.48 -4.39 -0.04 0.00 0.01 0.00 0.00 42.46 37.56 2ka9 s ILE 129 CO 0.53 -0.39 -0.09 -0.31 0.00 0.00 0.00 174.94 174.68 2ka9 s TYR 130 N 3.52 2.60 0.25 3.97 1.51 -1.11 -0.58 117.35 127.51 2ka9 s TYR 130 Ca 0.45 -0.24 -0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2ka9 s TYR 130 Cb -0.13 -1.23 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 2ka9 s TYR 130 CO 0.13 0.56 0.45 0.08 -1.11 0.00 0.00 175.55 175.66 2ka9 s VAL 131 N -1.93 5.15 0.00 0.71 1.01 -0.68 -0.96 120.40 123.70 2ka9 s VAL 131 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2ka9 s VAL 131 Cb -0.08 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.54 2ka9 s VAL 131 CO 0.16 -0.27 0.00 0.41 0.00 0.00 0.00 175.10 175.40 2ka9 n THR 132 N -0.93 0.00 -3.57 3.92 -1.04 0.11 -3.39 114.28 109.38 2ka9 n THR 132 Ca -0.04 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.81 2ka9 n THR 132 Cb 0.54 -0.43 -0.06 0.00 -1.82 0.00 0.00 70.33 68.56 2ka9 n THR 132 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 2ka9 s LYS 133 N -1.49 0.93 0.00 -2.82 -2.85 -1.12 -4.78 119.74 107.61 2ka9 s LYS 133 Ca 0.00 0.56 0.04 0.00 -1.00 0.00 0.00 55.97 55.57 2ka9 s LYS 133 Cb 0.00 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.20 2ka9 s LYS 133 CO 0.00 -0.22 -0.11 0.42 0.10 0.00 0.00 175.35 175.54 2ka9 s ILE 134 N -0.51 0.88 1.05 3.79 1.01 -1.26 0.15 121.20 126.32 2ka9 s ILE 134 Ca -0.06 -0.61 -0.16 0.00 0.00 0.00 0.00 60.65 59.83 2ka9 s ILE 134 Cb -0.02 -0.76 0.22 0.00 0.01 0.00 0.00 42.46 41.90 2ka9 s ILE 134 CO 0.05 0.15 1.17 -0.63 0.00 0.00 0.00 174.94 175.68 2ka9 s ILE 135 N -0.44 1.84 -0.11 2.92 -1.09 -1.24 -4.99 121.20 118.08 2ka9 s ILE 135 Ca 0.03 0.00 -0.08 0.00 -2.23 0.00 0.00 60.65 58.37 2ka9 s ILE 135 Cb -0.05 -2.68 -0.04 0.00 -1.58 0.00 0.00 42.46 38.11 2ka9 s ILE 135 CO 0.00 0.00 0.16 -0.70 -1.23 0.00 0.00 174.94 173.17 2ka9 s GLU 136 N -5.44 3.50 -1.60 2.79 2.12 -1.26 -4.32 118.70 114.48 2ka9 s GLU 136 Ca 0.69 -0.09 0.00 0.00 0.36 0.00 0.00 54.97 55.93 2ka9 s GLU 136 Cb -0.10 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.09 2ka9 s GLU 136 CO 0.55 0.76 0.00 0.41 -0.54 0.00 0.00 175.26 176.44 2ka9 n GLY 137 N 2.01 -0.31 0.00 -1.50 0.00 -1.26 -4.96 105.19 99.16 2ka9 n GLY 137 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2ka9 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 138 N -0.90 0.88 0.58 -0.02 0.00 -1.26 -4.99 105.19 99.47 2ka9 n GLY 138 Ca -0.22 -0.34 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 n ALA 139 N -3.00 1.93 0.14 4.61 0.00 -1.25 -4.62 120.51 118.31 2ka9 n ALA 139 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 53.44 53.09 2ka9 n ALA 139 Cb 0.00 0.13 0.32 0.00 0.00 0.00 0.00 19.45 19.89 2ka9 n ALA 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ka9 h ALA 140 N -0.54 1.32 0.19 0.00 0.00 -1.75 -1.47 119.26 117.00 2ka9 h ALA 140 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2ka9 h ALA 140 Cb 0.42 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2ka9 h ALA 140 CO 0.00 0.48 -0.51 1.25 0.00 0.00 0.00 179.25 180.47 2ka9 h HIS 141 N 0.13 -1.47 -0.08 0.00 6.17 -1.84 1.85 115.15 119.91 2ka9 h HIS 141 Ca 0.02 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 61.05 2ka9 h HIS 141 Cb 0.64 0.62 0.00 0.00 2.52 0.00 0.00 27.41 31.19 2ka9 h HIS 141 CO 0.01 -0.59 -0.28 -0.22 0.71 0.00 0.00 177.93 177.56 2ka9 h LYS 142 N -0.78 0.32 0.00 5.26 3.64 -1.81 -2.50 116.57 120.70 2ka9 h LYS 142 Ca -0.02 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.12 2ka9 h LYS 142 Cb 0.76 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.62 2ka9 h LYS 142 CO -0.24 0.87 -0.03 -0.44 -2.27 0.00 0.00 179.45 177.35 2ka9 h ASP 143 N -0.16 0.00 -0.44 4.20 5.19 -1.22 -3.38 116.42 120.61 2ka9 h ASP 143 Ca -0.01 -0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 2ka9 h ASP 143 Cb 0.91 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.40 2ka9 h ASP 143 CO 0.06 0.54 0.21 1.23 -3.12 0.00 0.00 179.24 178.16 2ka9 h GLY 144 N -1.00 0.67 -1.00 2.75 0.00 0.24 -3.44 103.07 101.30 2ka9 h GLY 144 Ca -0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 47.33 46.59 2ka9 h GLY 144 CO -0.00 0.32 -0.37 -2.13 0.00 0.00 0.00 176.54 174.35 2ka9 n ARG 145 N -4.66 -1.37 -3.02 4.80 0.63 0.36 -4.83 116.66 108.56 2ka9 n ARG 145 Ca 0.01 1.19 -0.44 0.00 -0.92 0.00 0.00 57.85 57.68 2ka9 n ARG 145 Cb 0.11 -5.53 -0.01 0.00 0.45 0.00 0.00 32.46 27.49 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 2ka9 s LEU 146 N -4.52 5.34 1.15 6.15 2.34 -1.26 -5.02 118.68 122.86 2ka9 s LEU 146 Ca 0.00 -2.87 -0.13 0.00 0.06 0.00 0.00 54.13 51.19 2ka9 s LEU 146 Cb 0.00 -2.36 0.28 0.00 -0.56 0.00 0.00 46.19 43.54 2ka9 s LEU 146 CO 0.00 -0.73 1.04 0.00 -1.06 0.00 0.00 176.35 175.59 2ka9 s GLN 147 N 1.31 -0.80 -0.22 1.48 -2.07 -1.26 -4.68 119.66 113.41 2ka9 s GLN 147 Ca 0.37 0.74 -0.40 0.00 -1.82 0.00 0.00 55.36 54.26 2ka9 s GLN 147 Cb -0.05 -1.57 -0.16 0.00 -1.09 0.00 0.00 33.01 30.14 2ka9 s GLN 147 CO -0.04 -3.62 1.67 -0.89 -1.32 0.00 0.00 175.29 171.10 2ka9 n ILE 148 N -4.83 0.25 0.00 3.63 5.41 -1.26 -2.07 119.36 120.48 2ka9 n ILE 148 Ca 0.03 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.73 2ka9 n ILE 148 Cb 0.55 -1.14 0.00 0.00 -0.71 0.00 0.00 39.64 38.34 2ka9 n ILE 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka9 n GLY 149 N 3.90 1.59 3.69 7.39 0.00 -1.22 -5.00 105.19 115.54 2ka9 n GLY 149 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 150 N -1.27 6.77 -0.14 1.61 1.11 -0.88 -4.68 116.67 119.19 2ka9 s ASP 150 Ca 0.00 2.22 -0.01 0.00 0.18 0.00 0.00 52.55 54.94 2ka9 s ASP 150 Cb 0.00 -2.56 -0.02 0.00 1.07 0.00 0.00 42.92 41.41 2ka9 s ASP 150 CO 0.00 -0.78 -0.10 -1.59 1.18 0.00 0.00 175.17 173.88 2ka9 s LYS 151 N 2.52 3.45 -0.18 8.23 0.00 -1.26 -1.69 119.74 130.81 2ka9 s LYS 151 Ca 0.67 -0.64 -0.08 0.00 0.00 0.00 0.00 55.97 55.92 2ka9 s LYS 151 Cb -0.34 -2.73 -0.04 0.00 0.00 0.00 0.00 37.83 34.71 2ka9 s LYS 151 CO 0.28 0.18 0.08 0.96 0.00 0.00 0.00 175.35 176.85 2ka9 s ILE 152 N 0.46 4.96 -2.70 3.79 -5.25 0.26 -0.70 121.20 122.02 2ka9 s ILE 152 Ca -0.08 0.03 0.24 0.00 -0.99 0.00 0.00 60.65 59.85 2ka9 s ILE 152 Cb -0.15 -3.24 0.20 0.00 2.95 0.00 0.00 42.46 42.22 2ka9 s ILE 152 CO 0.04 0.47 1.30 0.00 -1.79 0.00 0.00 174.94 174.95 2ka9 n LEU 153 N 3.41 2.55 0.00 0.37 -0.00 0.47 -3.48 117.00 120.32 2ka9 n LEU 153 Ca -0.17 -0.86 0.00 0.00 -0.00 0.00 0.00 56.01 54.98 2ka9 n LEU 153 Cb 0.52 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.94 2ka9 n LEU 153 CO 0.35 0.43 0.00 0.00 -0.00 0.00 0.00 177.39 178.18 2ka9 n ALA 154 N 0.85 0.00 -3.57 1.47 0.00 -1.22 -4.63 120.51 113.41 2ka9 n ALA 154 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 2ka9 n ALA 154 Cb 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.90 2ka9 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ka9 s VAL 155 N -2.00 4.14 0.00 0.00 1.01 -1.16 0.12 120.40 122.51 2ka9 s VAL 155 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.14 2ka9 s VAL 155 Cb 0.00 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.65 2ka9 s VAL 155 CO 0.00 -0.78 0.00 0.59 0.00 0.00 0.00 175.10 174.91 2ka9 n ASN 156 N 4.84 0.00 -0.78 3.32 3.02 0.21 -1.29 115.26 124.58 2ka9 n ASN 156 Ca -0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.44 2ka9 n ASN 156 Cb 0.41 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.54 2ka9 n ASN 156 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ka9 n SER 157 N 1.81 -0.60 -4.93 6.41 2.88 -1.26 -4.97 113.62 112.96 2ka9 n SER 157 Ca 0.00 -1.44 -0.26 0.00 -1.33 0.00 0.00 58.87 55.84 2ka9 n SER 157 Cb 0.00 0.18 -0.03 0.00 -0.75 0.00 0.00 64.21 63.61 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka9 s VAL 158 N 0.00 5.23 -0.75 2.46 1.01 -0.42 -5.07 120.40 122.87 2ka9 s VAL 158 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2ka9 s VAL 158 Cb 0.00 -3.70 0.21 0.00 0.00 0.00 0.00 36.38 32.88 2ka9 s VAL 158 CO 0.00 -0.11 0.66 0.61 0.00 0.00 0.00 175.10 176.27 2ka9 n GLY 159 N -0.58 4.28 0.71 4.51 0.00 -1.26 -2.98 105.19 109.88 2ka9 n GLY 159 Ca -0.07 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.31 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 160 N 1.75 1.76 -1.85 0.99 4.77 -1.26 -3.12 117.00 120.04 2ka9 n LEU 160 Ca 0.23 -0.88 0.03 0.00 -0.03 0.00 0.00 56.01 55.36 2ka9 n LEU 160 Cb 0.37 -0.48 0.03 0.00 -2.33 0.00 0.00 43.42 41.01 2ka9 n LEU 160 CO 0.34 0.34 0.04 -0.62 -1.33 0.00 0.00 177.39 176.17 2ka9 n GLU 161 N 0.23 0.49 -1.23 3.23 1.02 -1.26 -4.22 120.64 118.90 2ka9 n GLU 161 Ca 0.00 -2.42 0.02 0.00 -0.02 0.00 0.00 57.16 54.73 2ka9 n GLU 161 Cb 0.34 -0.45 0.00 0.00 -0.02 0.00 0.00 31.44 31.31 2ka9 n GLU 161 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ka9 n ASP 162 N 0.19 0.50 0.00 1.62 2.03 -1.18 -4.91 116.55 114.80 2ka9 n ASP 162 Ca 0.07 -1.96 0.00 0.00 0.52 0.00 0.00 54.79 53.41 2ka9 n ASP 162 Cb 1.05 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.27 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 2ka9 n VAL 163 N 0.33 0.00 0.00 5.18 0.31 -1.26 -5.09 118.33 117.80 2ka9 n VAL 163 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2ka9 n VAL 163 Cb 0.99 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 2ka9 n VAL 163 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2ka9 n MET 164 N -1.33 0.00 -0.06 5.55 2.81 -1.26 -4.49 117.12 118.34 2ka9 n MET 164 Ca 0.00 0.00 0.21 0.00 -1.81 0.00 0.00 57.70 56.10 2ka9 n MET 164 Cb 0.00 0.00 0.67 0.00 -0.71 0.00 0.00 33.22 33.18 2ka9 n MET 164 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 2ka9 h HIS 165 N 0.00 0.08 -0.07 2.03 2.07 -1.37 0.20 115.15 118.10 2ka9 h HIS 165 Ca 0.00 0.00 -0.11 0.00 -2.85 0.00 0.00 60.37 57.41 2ka9 h HIS 165 Cb 0.00 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 29.96 2ka9 h HIS 165 CO 0.00 0.03 -0.38 0.93 -3.07 0.00 0.00 177.93 175.43 2ka9 h GLU 166 N 0.07 0.38 -0.15 5.12 5.08 -1.89 -0.23 114.58 122.96 2ka9 h GLU 166 Ca 0.31 -0.32 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 2ka9 h GLU 166 Cb 1.12 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 2ka9 h GLU 166 CO -0.02 0.96 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.83 2ka9 h ASP 167 N -0.10 0.69 -0.03 1.42 3.32 -1.66 0.95 116.42 121.01 2ka9 h ASP 167 Ca -0.03 -0.42 -0.15 0.00 0.02 0.00 0.00 57.03 56.45 2ka9 h ASP 167 Cb 1.04 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.39 2ka9 h ASP 167 CO 0.08 1.17 -0.50 0.00 -1.72 0.00 0.00 179.24 178.27 2ka9 h ALA 168 N 0.82 0.72 -0.10 3.45 0.00 -0.72 0.23 119.26 123.66 2ka9 h ALA 168 Ca -0.02 -0.49 -0.18 0.00 0.00 0.00 0.00 54.91 54.22 2ka9 h ALA 168 Cb 1.26 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.97 2ka9 h ALA 168 CO 0.13 0.68 -0.64 0.28 0.00 0.00 0.00 179.25 179.70 2ka9 h VAL 169 N 0.47 1.34 -0.09 0.00 2.07 -0.96 -1.24 116.25 117.84 2ka9 h VAL 169 Ca 0.02 -1.92 -0.14 0.00 0.82 0.00 0.00 66.70 65.48 2ka9 h VAL 169 Cb 1.04 2.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2ka9 h VAL 169 CO 0.10 0.59 -0.57 0.00 0.02 0.00 0.00 177.57 177.71 2ka9 h ALA 170 N 0.48 0.88 0.00 1.67 0.00 -0.77 -1.01 119.26 120.50 2ka9 h ALA 170 Ca -0.05 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 54.20 2ka9 h ALA 170 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2ka9 h ALA 170 CO 0.13 0.70 -0.69 0.00 0.00 0.00 0.00 179.25 179.40 2ka9 h ALA 171 N 1.20 0.64 0.17 0.00 0.00 -0.55 -0.65 119.26 120.07 2ka9 h ALA 171 Ca -0.00 -0.62 -0.30 0.00 0.00 0.00 0.00 54.91 53.98 2ka9 h ALA 171 Cb 1.06 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.75 2ka9 h ALA 171 CO 0.09 0.86 -1.39 1.37 0.00 0.00 0.00 179.25 180.18 2ka9 h LEU 172 N 0.00 0.55 -0.64 0.00 8.10 -1.12 -3.21 115.31 118.98 2ka9 h LEU 172 Ca -0.01 -0.62 -0.10 0.00 0.11 0.00 0.00 57.88 57.26 2ka9 h LEU 172 Cb 1.42 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.44 2ka9 h LEU 172 CO 0.09 1.49 -0.49 0.50 -4.11 0.00 0.00 178.44 175.92 2ka9 h LYS 173 N 0.10 0.00 0.00 0.17 3.64 -1.21 -2.78 116.57 116.49 2ka9 h LYS 173 Ca -0.20 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2ka9 h LYS 173 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 2ka9 h LYS 173 CO 0.22 0.49 0.00 0.09 -2.27 0.00 0.00 179.45 177.98 2ka9 n ASN 174 N -3.50 0.00 -3.28 4.20 3.02 -0.25 -4.84 115.26 110.61 2ka9 n ASN 174 Ca 0.00 0.49 -0.13 0.00 -0.03 0.00 0.00 54.58 54.90 2ka9 n ASN 174 Cb 0.61 -0.49 0.13 0.00 -0.61 0.00 0.00 39.78 39.41 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2ka9 n THR 175 N -1.49 0.00 -3.32 3.41 -2.24 -1.05 -5.02 114.28 104.57 2ka9 n THR 175 Ca 0.05 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.64 2ka9 n THR 175 Cb 0.24 -0.43 -0.01 0.00 -2.10 0.00 0.00 70.33 68.03 2ka9 n THR 175 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ka9 s TYR 176 N -1.60 2.77 0.51 4.78 5.04 -1.26 -4.98 117.35 122.60 2ka9 s TYR 176 Ca 0.29 -0.44 0.28 0.00 -2.44 0.00 0.00 57.07 54.76 2ka9 s TYR 176 Cb -0.05 -2.26 1.55 0.00 0.35 0.00 0.00 41.96 41.55 2ka9 s TYR 176 CO 0.24 -0.25 1.86 0.22 -1.34 0.00 0.00 175.55 176.28 2ka9 h ASP 177 N 0.85 0.00 -2.01 4.32 1.82 -1.92 -3.31 116.42 116.17 2ka9 h ASP 177 Ca -0.41 0.00 -0.37 0.00 -0.39 0.00 0.00 57.03 55.86 2ka9 h ASP 177 Cb 1.27 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.96 2ka9 h ASP 177 CO 0.52 0.00 -0.68 -0.69 -1.61 0.00 0.00 179.24 176.77 2ka9 s VAL 178 N -3.94 -0.33 0.10 2.25 1.01 -1.26 0.47 120.40 118.70 2ka9 s VAL 178 Ca -0.03 -0.92 0.10 0.00 0.00 0.00 0.00 61.98 61.13 2ka9 s VAL 178 Cb 0.08 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2ka9 s VAL 178 CO 0.26 -0.58 -0.27 0.68 0.00 0.00 0.00 175.10 175.20 2ka9 s VAL 179 N 1.60 2.23 -0.19 2.92 -7.23 -0.74 -4.97 120.40 114.03 2ka9 s VAL 179 Ca 0.15 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.54 2ka9 s VAL 179 Cb -0.15 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2ka9 s VAL 179 CO -0.09 0.18 0.33 -0.47 -0.31 0.00 0.00 175.10 174.74 2ka9 s TYR 180 N -0.98 3.40 -0.01 2.82 6.14 -1.26 -0.13 117.35 127.33 2ka9 s TYR 180 Ca 0.13 0.57 0.01 0.00 0.64 0.00 0.00 57.07 58.42 2ka9 s TYR 180 Cb -0.10 -2.43 -0.04 0.00 0.42 0.00 0.00 41.96 39.82 2ka9 s TYR 180 CO 0.05 0.10 0.02 -0.51 0.64 0.00 0.00 175.55 175.84 2ka9 s LEU 181 N 0.95 3.62 -0.39 6.97 1.43 0.31 0.65 118.68 132.22 2ka9 s LEU 181 Ca 0.17 0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.15 2ka9 s LEU 181 Cb -0.14 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.03 2ka9 s LEU 181 CO 0.06 0.29 0.43 -0.75 0.23 0.00 0.00 176.35 176.61 2ka9 s LYS 182 N -1.52 3.33 0.27 1.70 2.20 0.32 -1.04 119.74 124.99 2ka9 s LYS 182 Ca 0.20 -0.56 0.06 0.00 -0.36 0.00 0.00 55.97 55.31 2ka9 s LYS 182 Cb -0.12 -3.89 -0.03 0.00 -1.51 0.00 0.00 37.83 32.29 2ka9 s LYS 182 CO 0.10 -0.72 0.33 0.08 -0.36 0.00 0.00 175.35 174.79 2ka9 s VAL 183 N 2.15 4.72 -0.06 4.02 1.01 -0.74 -0.40 120.40 131.10 2ka9 s VAL 183 Ca 0.13 -1.12 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 2ka9 s VAL 183 Cb -0.17 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2ka9 s VAL 183 CO 0.13 -0.29 0.17 0.00 0.00 0.00 0.00 175.10 175.11 2ka9 s ALA 184 N -2.08 -0.42 0.06 5.51 0.00 0.12 0.14 121.76 125.09 2ka9 s ALA 184 Ca 0.36 0.48 -0.07 0.00 0.00 0.00 0.00 51.96 52.74 2ka9 s ALA 184 Cb -0.09 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.70 2ka9 s ALA 184 CO 0.28 -0.08 0.32 0.15 0.00 0.00 0.00 175.76 176.43 2ka9 s LYS 185 N 0.08 3.63 -0.87 0.00 3.01 -0.50 -4.18 119.74 120.90 2ka9 s LYS 185 Ca -0.00 -0.04 -0.15 0.00 -1.01 0.00 0.00 55.97 54.77 2ka9 s LYS 185 Cb -0.01 -3.00 -0.25 0.00 -1.01 0.00 0.00 37.83 33.56 2ka9 s LYS 185 CO 0.00 0.58 2.17 -0.35 0.51 0.00 0.00 175.35 178.27 2ka9 n PRO 186 N 0.77 0.20 -0.55 -1.68 -0.04 -1.26 -4.34 135.00 128.10 2ka9 n PRO 186 Ca -0.08 -0.37 -0.30 0.00 -0.04 0.00 0.00 63.50 62.72 2ka9 n PRO 186 Cb 0.52 -2.06 0.22 0.00 -0.04 0.00 0.00 33.50 32.15 2ka9 n PRO 186 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ka9 n SER 187 N 10.65 -1.40 -3.08 3.54 3.41 -1.26 -2.82 113.62 122.67 2ka9 n SER 187 Ca 0.56 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 59.02 2ka9 n SER 187 Cb 0.28 -1.27 -0.02 0.00 -0.26 0.00 0.00 64.21 62.93 2ka9 n SER 187 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2ka9 n ASN 188 N -4.29 -1.23 0.00 4.04 4.13 -1.26 -4.64 115.26 112.01 2ka9 n ASN 188 Ca 0.05 -0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.29 2ka9 n ASN 188 Cb 0.54 -1.16 0.00 0.00 -1.54 0.00 0.00 39.78 37.62 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54