#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 2.36 0.55 3.17 2.56 -0.38 -4.86 118.70 122.10 2ka9 s GLU 2 Ca 0.00 -0.92 0.08 0.00 0.00 0.00 0.00 54.97 54.13 2ka9 s GLU 2 Cb 0.00 -2.43 0.06 0.00 2.00 0.00 0.00 34.13 33.76 2ka9 s GLU 2 CO 0.00 0.53 0.60 0.71 -0.56 0.00 0.00 175.26 176.54 2ka9 s TYR 3 N -1.25 1.57 -0.13 5.30 1.51 -1.26 0.10 117.35 123.19 2ka9 s TYR 3 Ca 0.23 -0.76 -0.31 0.00 -1.01 0.00 0.00 57.07 55.22 2ka9 s TYR 3 Cb -0.11 -2.08 0.13 0.00 -0.11 0.00 0.00 41.96 39.78 2ka9 s TYR 3 CO 0.16 -0.81 1.05 -2.00 -1.11 0.00 0.00 175.55 172.84 2ka9 s GLU 4 N -4.47 0.55 -0.29 -0.62 2.56 0.19 -4.76 118.70 111.85 2ka9 s GLU 4 Ca 0.49 -0.07 0.01 0.00 0.00 0.00 0.00 54.97 55.41 2ka9 s GLU 4 Cb -0.04 0.26 0.16 0.00 2.00 0.00 0.00 34.13 36.50 2ka9 s GLU 4 CO 0.31 -0.21 0.40 -1.83 -0.56 0.00 0.00 175.26 173.36 2ka9 s GLU 5 N -2.04 0.40 0.09 4.30 -1.05 -1.26 -1.02 118.70 118.13 2ka9 s GLU 5 Ca 0.04 0.15 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 2ka9 s GLU 5 Cb -0.01 -0.34 -0.00 0.00 -0.44 0.00 0.00 34.13 33.34 2ka9 s GLU 5 CO -0.04 -1.00 0.02 0.44 0.95 0.00 0.00 175.26 175.63 2ka9 n ILE 6 N 5.35 0.00 -4.04 1.83 -0.00 0.13 -4.96 119.36 117.68 2ka9 n ILE 6 Ca 0.00 -0.49 -0.22 0.00 -0.00 0.00 0.00 62.75 62.04 2ka9 n ILE 6 Cb 0.49 0.14 -0.17 0.00 -0.00 0.00 0.00 39.64 40.10 2ka9 n ILE 6 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 2ka9 s THR 7 N -1.64 0.61 -0.48 7.28 -4.23 -1.26 0.08 115.64 116.01 2ka9 s THR 7 Ca 0.02 -0.10 0.01 0.00 -1.18 0.00 0.00 61.69 60.44 2ka9 s THR 7 Cb 0.00 -0.67 0.13 0.00 1.34 0.00 0.00 72.50 73.30 2ka9 s THR 7 CO 0.02 0.27 0.24 -0.22 -0.54 0.00 0.00 174.62 174.39 2ka9 s LEU 8 N 1.34 4.86 0.34 4.79 2.96 -0.54 -4.87 118.68 127.57 2ka9 s LEU 8 Ca -0.04 -2.55 -0.28 0.00 -0.22 0.00 0.00 54.13 51.04 2ka9 s LEU 8 Cb -0.14 -1.73 -0.10 0.00 0.50 0.00 0.00 46.19 44.73 2ka9 s LEU 8 CO -0.03 -0.37 1.22 -1.83 -1.32 0.00 0.00 176.35 174.03 2ka9 s GLU 9 N 0.37 4.32 -0.49 1.98 4.04 -1.16 -2.49 118.70 125.26 2ka9 s GLU 9 Ca 0.14 2.02 -0.26 0.00 0.04 0.00 0.00 54.97 56.90 2ka9 s GLU 9 Cb -0.22 -2.98 -0.06 0.00 0.02 0.00 0.00 34.13 30.89 2ka9 s GLU 9 CO -0.04 -0.14 2.26 0.50 -1.84 0.00 0.00 175.26 176.00 2ka9 s ARG 10 N -1.87 2.32 0.58 -4.83 6.06 0.30 -4.66 118.95 116.85 2ka9 s ARG 10 Ca 0.50 1.28 0.30 0.00 -2.50 0.00 0.00 55.73 55.32 2ka9 s ARG 10 Cb -0.35 -4.52 1.41 0.00 0.06 0.00 0.00 34.95 31.55 2ka9 s ARG 10 CO 0.46 -3.04 1.80 0.78 -2.50 0.00 0.00 175.30 172.80 2ka9 h GLY 11 N 18.46 0.00 0.00 8.12 0.00 -1.86 -3.44 103.07 124.35 2ka9 h GLY 11 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2ka9 h GLY 11 CO 1.15 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.39 2ka9 n ASN 12 N -3.75 0.00 -1.52 0.19 4.13 -1.26 -4.93 115.26 108.12 2ka9 n ASN 12 Ca 0.14 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 56.28 2ka9 n ASN 12 Cb 0.89 0.00 0.19 0.00 -1.54 0.00 0.00 39.78 39.32 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2ka9 n SER 13 N -0.39 3.01 0.00 6.41 7.64 -1.26 -5.04 113.62 123.99 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.13 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.50 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ka9 n GLY 14 N -1.12 0.27 0.08 0.23 0.00 -1.26 -4.98 105.19 98.42 2ka9 n GLY 14 Ca 0.42 -1.83 -0.17 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.00 0.99 4.07 -1.92 -3.10 115.31 115.35 2ka9 h LEU 15 Ca 0.00 -0.74 0.00 0.00 0.08 0.00 0.00 57.88 57.22 2ka9 h LEU 15 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 15 CO 0.00 1.19 0.00 0.61 -1.08 0.00 0.00 178.44 179.16 2ka9 n GLY 16 N 1.54 1.97 3.31 0.83 0.00 -1.26 0.12 105.19 111.70 2ka9 n GLY 16 Ca -0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.00 2.00 -0.19 1.61 -0.12 -1.26 0.62 117.98 118.63 2ka9 s PHE 17 Ca 0.00 -0.40 -0.05 0.00 -0.05 0.00 0.00 56.93 56.43 2ka9 s PHE 17 Cb 0.00 -1.13 -0.03 0.00 -0.63 0.00 0.00 43.02 41.24 2ka9 s PHE 17 CO 0.00 0.20 -0.00 -1.12 -0.05 0.00 0.00 175.22 174.25 2ka9 s SER 18 N -1.67 4.93 0.45 1.98 0.01 0.21 -4.98 113.70 114.62 2ka9 s SER 18 Ca 0.09 -0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.28 2ka9 s SER 18 Cb -0.10 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.30 2ka9 s SER 18 CO 0.04 0.11 0.41 0.27 0.41 0.00 0.00 173.24 174.47 2ka9 s ILE 19 N 0.74 2.47 -0.28 1.44 -4.36 -1.26 0.04 121.20 119.99 2ka9 s ILE 19 Ca 0.00 -1.35 -0.25 0.00 -0.26 0.00 0.00 60.65 58.79 2ka9 s ILE 19 Cb -0.14 -2.81 0.13 0.00 1.25 0.00 0.00 42.46 40.88 2ka9 s ILE 19 CO 0.02 0.00 1.06 0.00 0.24 0.00 0.00 174.94 176.26 2ka9 s ALA 20 N -2.53 -1.99 0.00 2.27 0.00 -1.00 -4.83 121.76 113.67 2ka9 s ALA 20 Ca 0.47 1.87 0.00 0.00 0.00 0.00 0.00 51.96 54.30 2ka9 s ALA 20 Cb -0.03 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.62 2ka9 s ALA 20 CO 0.27 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 176.22 2ka9 n GLY 21 N 2.19 0.53 0.00 0.00 0.00 -1.26 -3.89 105.19 102.75 2ka9 n GLY 21 Ca -0.12 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 3.16 0.35 -0.02 0.00 -1.25 -4.45 105.19 102.97 2ka9 n GLY 22 Ca 0.00 -1.54 0.17 0.00 0.00 0.00 0.00 46.02 44.65 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 0.11 0.00 2.61 1.03 -1.30 -2.36 112.91 113.00 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 0.72 -0.00 0.00 -1.07 0.00 0.00 68.15 67.80 2ka9 h THR 23 CO 0.00 0.00 -0.15 0.44 -0.01 0.00 0.00 175.52 175.80 2ka9 h ASP 24 N 0.00 0.00 -3.66 0.00 5.19 -1.87 -3.44 116.42 112.64 2ka9 h ASP 24 Ca 0.04 -0.27 -0.62 0.00 -0.62 0.00 0.00 57.03 55.55 2ka9 h ASP 24 Cb 0.65 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 39.75 2ka9 h ASP 24 CO -0.00 0.72 -0.66 0.21 -3.12 0.00 0.00 179.24 176.39 2ka9 s ASN 25 N -5.82 4.11 0.08 6.45 2.47 -0.92 -5.10 114.94 116.21 2ka9 s ASN 25 Ca -0.09 -3.16 -0.37 0.00 0.42 0.00 0.00 52.86 49.66 2ka9 s ASN 25 Cb -0.00 -1.41 -0.17 0.00 -1.45 0.00 0.00 41.25 38.22 2ka9 s ASN 25 CO 0.24 -0.19 1.34 -2.65 -3.72 0.00 0.00 177.10 172.11 2ka9 n PRO 26 N 2.87 1.12 0.33 0.43 -0.02 -1.02 -3.91 135.00 134.80 2ka9 n PRO 26 Ca 0.12 0.40 0.21 0.00 -2.02 0.00 0.00 63.50 62.22 2ka9 n PRO 26 Cb 0.34 -2.04 1.12 0.00 -0.02 0.00 0.00 33.50 32.90 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 4.54 0.00 0.00 6.00 -0.00 -1.79 -3.01 115.15 120.89 2ka9 h HIS 27 Ca -0.48 0.00 -0.29 0.00 -0.00 0.00 0.00 60.37 59.60 2ka9 h HIS 27 Cb 1.34 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.70 2ka9 h HIS 27 CO 0.60 0.00 -2.07 0.44 -0.00 0.00 0.00 177.93 176.90 2ka9 n ILE 28 N -3.14 1.08 0.00 6.26 -5.35 -1.26 -4.95 119.36 112.00 2ka9 n ILE 28 Ca -0.02 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2ka9 n ILE 28 Cb 0.11 -1.27 0.00 0.00 -1.74 0.00 0.00 39.64 36.74 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 2.45 1.76 1.41 3.28 0.00 -1.14 -4.98 105.19 107.97 2ka9 n GLY 29 Ca -0.34 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 -0.17 -3.19 1.61 2.03 -1.26 -5.04 116.55 110.53 2ka9 n ASP 30 Ca 0.00 -0.96 0.01 0.00 0.52 0.00 0.00 54.79 54.36 2ka9 n ASP 30 Cb 0.00 0.08 -0.01 0.00 -0.72 0.00 0.00 41.12 40.46 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2ka9 s ASP 31 N -0.14 -1.18 0.53 1.67 -1.08 -1.26 -5.02 116.67 110.19 2ka9 s ASP 31 Ca 0.01 -0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.16 2ka9 s ASP 31 Cb 0.04 1.82 1.36 0.00 -1.46 0.00 0.00 42.92 44.68 2ka9 s ASP 31 CO -0.01 -0.29 2.05 1.55 0.52 0.00 0.00 175.17 178.99 2ka9 h PRO 32 N 7.86 0.00 -7.35 4.34 0.13 -1.89 -3.43 132.00 131.66 2ka9 h PRO 32 Ca -0.01 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.63 2ka9 h PRO 32 Cb 1.17 0.00 0.14 0.00 0.13 0.00 0.00 31.00 32.44 2ka9 h PRO 32 CO 0.17 0.00 0.28 0.45 -0.23 0.00 0.00 178.00 178.66 2ka9 s SER 33 N -6.50 3.80 0.19 1.44 0.15 -1.17 -3.25 113.70 108.36 2ka9 s SER 33 Ca -0.05 1.46 0.07 0.00 0.70 0.00 0.00 55.95 58.13 2ka9 s SER 33 Cb 0.19 -2.16 -0.04 0.00 -1.71 0.00 0.00 66.02 62.30 2ka9 s SER 33 CO 0.71 -2.43 0.06 -0.63 1.20 0.00 0.00 173.24 172.14 2ka9 s ILE 34 N -2.99 3.97 0.16 6.45 1.01 -1.26 -4.57 121.20 123.98 2ka9 s ILE 34 Ca 0.63 -1.38 -0.03 0.00 0.00 0.00 0.00 60.65 59.86 2ka9 s ILE 34 Cb -0.17 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2ka9 s ILE 34 CO 0.56 -0.16 0.15 0.72 0.00 0.00 0.00 174.94 176.21 2ka9 s PHE 35 N -1.84 0.80 0.22 3.97 -0.71 -1.25 -3.52 117.98 115.65 2ka9 s PHE 35 Ca 0.29 -1.14 -0.01 0.00 -1.04 0.00 0.00 56.93 55.03 2ka9 s PHE 35 Cb -0.09 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.31 2ka9 s PHE 35 CO 0.21 -0.62 0.42 0.42 -1.34 0.00 0.00 175.22 174.31 2ka9 s ILE 36 N -4.06 5.17 -0.15 -4.49 1.01 0.23 -2.37 121.20 116.55 2ka9 s ILE 36 Ca 0.26 -0.30 -0.01 0.00 0.00 0.00 0.00 60.65 60.60 2ka9 s ILE 36 Cb 0.06 -3.74 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 2ka9 s ILE 36 CO 0.04 -0.21 -0.15 0.35 0.00 0.00 0.00 174.94 174.98 2ka9 n THR 37 N -0.73 0.85 -3.55 2.92 -2.24 0.11 -2.63 114.28 109.01 2ka9 n THR 37 Ca -0.04 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 2ka9 n THR 37 Cb 0.54 -1.19 -0.05 0.00 -2.10 0.00 0.00 70.33 67.53 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 38 N -2.29 0.78 -0.05 -0.78 2.36 -1.23 -4.74 119.74 113.78 2ka9 s LYS 38 Ca -0.20 0.15 0.01 0.00 -2.55 0.00 0.00 55.97 53.37 2ka9 s LYS 38 Cb 0.06 0.37 -0.03 0.00 -1.05 0.00 0.00 37.83 37.18 2ka9 s LYS 38 CO 0.32 -0.25 -0.03 0.42 1.55 0.00 0.00 175.35 177.36 2ka9 s ILE 39 N -1.31 3.96 -0.09 5.43 1.01 -1.26 -0.62 121.20 128.33 2ka9 s ILE 39 Ca -0.05 -0.48 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 2ka9 s ILE 39 Cb -0.00 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 2ka9 s ILE 39 CO 0.04 0.53 0.81 -0.63 0.00 0.00 0.00 174.94 175.69 2ka9 s ILE 40 N -0.91 4.95 -0.39 2.92 1.01 0.20 -4.94 121.20 124.04 2ka9 s ILE 40 Ca 0.15 1.66 -0.19 0.00 0.00 0.00 0.00 60.65 62.27 2ka9 s ILE 40 Cb -0.11 -4.14 -0.19 0.00 0.01 0.00 0.00 42.46 38.02 2ka9 s ILE 40 CO 0.04 0.15 1.68 -2.65 0.00 0.00 0.00 174.94 174.16 2ka9 n PRO 41 N 4.31 0.81 0.04 2.79 -0.02 -1.26 -3.04 135.00 138.62 2ka9 n PRO 41 Ca 0.03 -1.27 0.00 0.00 -2.02 0.00 0.00 63.50 60.24 2ka9 n PRO 41 Cb 0.50 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 4.50 -0.78 2.70 -1.23 0.00 -1.26 -5.10 105.19 104.01 2ka9 n GLY 42 Ca 0.40 0.15 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.34 -3.86 0.23 -0.02 0.00 -1.17 -4.86 105.19 94.17 2ka9 n GLY 43 Ca 0.00 -1.29 0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -3.35 0.98 0.73 4.61 0.00 0.76 -3.20 119.26 119.78 2ka9 h ALA 44 Ca -0.33 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2ka9 h ALA 44 Cb 1.12 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.91 2ka9 h ALA 44 CO 0.20 0.08 -0.35 0.00 0.00 0.00 0.00 179.25 179.18 2ka9 h ALA 45 N 1.94 -0.99 0.00 0.00 0.00 0.49 0.46 119.26 121.16 2ka9 h ALA 45 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2ka9 h ALA 45 Cb 0.84 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2ka9 h ALA 45 CO 0.01 -1.05 -0.13 0.00 0.00 0.00 0.00 179.25 178.09 2ka9 h ALA 46 N -0.73 1.60 -0.16 0.00 0.00 -1.76 0.59 119.26 118.80 2ka9 h ALA 46 Ca -0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 2ka9 h ALA 46 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2ka9 h ALA 46 CO 0.17 0.16 -0.41 1.96 0.00 0.00 0.00 179.25 181.12 2ka9 h GLN 47 N 0.00 0.56 -0.01 0.00 1.08 -1.46 -3.10 115.11 112.18 2ka9 h GLN 47 Ca -0.00 -0.39 -0.16 0.00 -1.45 0.00 0.00 58.65 56.64 2ka9 h GLN 47 Cb 0.25 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2ka9 h GLN 47 CO 0.02 1.01 -0.74 0.22 -0.95 0.00 0.00 178.83 178.39 2ka9 h ASP 48 N 0.21 0.12 -5.17 1.46 1.82 0.56 -3.46 116.42 111.95 2ka9 h ASP 48 Ca -0.01 -0.08 -0.12 0.00 -0.39 0.00 0.00 57.03 56.43 2ka9 h ASP 48 Cb 1.03 -0.04 -0.05 0.00 0.68 0.00 0.00 39.33 40.96 2ka9 h ASP 48 CO 0.09 0.81 -0.18 0.61 -1.61 0.00 0.00 179.24 178.96 2ka9 n GLY 49 N 0.58 -0.03 1.54 -0.78 0.00 0.20 -4.71 105.19 102.00 2ka9 n GLY 49 Ca -0.02 0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2ka9 n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ka9 n ARG 50 N -1.61 3.89 -3.98 1.61 0.00 -1.26 -4.97 116.66 110.33 2ka9 n ARG 50 Ca -0.05 -2.46 0.02 0.00 -0.00 0.00 0.00 57.85 55.35 2ka9 n ARG 50 Cb 0.13 -2.03 0.01 0.00 -0.00 0.00 0.00 32.46 30.57 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ka9 s LEU 51 N -2.04 0.01 0.13 2.89 2.34 -1.26 -5.05 118.68 115.69 2ka9 s LEU 51 Ca 0.43 -0.30 0.04 0.00 0.06 0.00 0.00 54.13 54.36 2ka9 s LEU 51 Cb 0.32 1.46 -0.04 0.00 -0.56 0.00 0.00 46.19 47.37 2ka9 s LEU 51 CO 0.15 -0.43 0.12 -0.13 -1.06 0.00 0.00 176.35 175.00 2ka9 s ARG 52 N -2.03 2.93 0.16 1.48 1.81 -1.26 -5.03 118.95 117.00 2ka9 s ARG 52 Ca 0.29 -0.77 -0.08 0.00 -1.72 0.00 0.00 55.73 53.45 2ka9 s ARG 52 Cb -0.01 -2.70 0.01 0.00 -0.45 0.00 0.00 34.95 31.80 2ka9 s ARG 52 CO 0.01 0.52 1.46 -0.39 -0.68 0.00 0.00 175.30 176.22 2ka9 h VAL 53 N 2.25 1.29 0.00 3.52 -1.51 -1.89 -3.09 116.25 116.83 2ka9 h VAL 53 Ca -0.47 -1.72 0.00 0.00 -1.23 0.00 0.00 66.70 63.27 2ka9 h VAL 53 Cb 1.18 1.64 0.00 0.00 -2.13 0.00 0.00 31.29 31.99 2ka9 h VAL 53 CO 0.65 0.55 0.00 0.59 -1.23 0.00 0.00 177.57 178.13 2ka9 n ASN 54 N -4.00 0.37 -2.98 4.19 3.02 -1.08 0.74 115.26 115.52 2ka9 n ASN 54 Ca -0.03 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.25 2ka9 n ASN 54 Cb 0.60 -0.18 0.00 0.00 -0.61 0.00 0.00 39.78 39.59 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 -0.10 0.00 -3.42 6.41 5.75 -1.17 -4.87 116.55 119.15 2ka9 n ASP 55 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 54.79 54.60 2ka9 n ASP 55 Cb 0.09 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.08 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 -1.00 1.82 -0.66 -1.12 0.15 -0.30 -4.30 113.70 108.29 2ka9 s SER 56 Ca 0.00 -0.77 -0.26 0.00 0.70 0.00 0.00 55.95 55.62 2ka9 s SER 56 Cb 0.00 0.43 -0.09 0.00 -1.71 0.00 0.00 66.02 64.65 2ka9 s SER 56 CO 0.00 -0.39 2.32 -0.51 1.20 0.00 0.00 173.24 175.86 2ka9 s ILE 57 N 2.34 3.08 0.16 6.45 1.10 -1.23 0.39 121.20 133.49 2ka9 s ILE 57 Ca 0.09 -0.02 0.28 0.00 -0.51 0.00 0.00 60.65 60.50 2ka9 s ILE 57 Cb -0.14 -3.20 0.30 0.00 0.15 0.00 0.00 42.46 39.57 2ka9 s ILE 57 CO -0.32 -0.19 1.92 0.17 -2.11 0.00 0.00 174.94 174.41 2ka9 h LEU 58 N 20.34 0.00 -7.00 8.50 8.10 0.13 -3.37 115.31 142.00 2ka9 h LEU 58 Ca -0.12 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.89 2ka9 h LEU 58 Cb 1.13 0.00 -0.21 0.00 -0.44 0.00 0.00 40.66 41.14 2ka9 h LEU 58 CO 1.11 0.13 0.03 -0.36 -4.11 0.00 0.00 178.44 175.24 2ka9 s PHE 59 N -3.73 -1.05 -0.24 0.17 0.08 0.61 -4.00 117.98 109.83 2ka9 s PHE 59 Ca 0.00 2.12 -0.03 0.00 0.12 0.00 0.00 56.93 59.14 2ka9 s PHE 59 Cb 0.10 0.61 0.01 0.00 -0.57 0.00 0.00 43.02 43.17 2ka9 s PHE 59 CO 0.60 -0.52 -0.05 0.14 -0.10 0.00 0.00 175.22 175.29 2ka9 s VAL 60 N 1.54 3.16 -1.47 -0.44 -7.23 -0.89 0.14 120.40 115.21 2ka9 s VAL 60 Ca -0.09 -0.74 -0.15 0.00 -1.81 0.00 0.00 61.98 59.19 2ka9 s VAL 60 Cb -0.05 -2.51 0.13 0.00 0.56 0.00 0.00 36.38 34.50 2ka9 s VAL 60 CO -0.18 0.31 0.62 0.59 -0.31 0.00 0.00 175.10 176.13 2ka9 n ASN 61 N 4.75 -3.18 -1.35 4.85 4.13 0.13 0.12 115.26 124.71 2ka9 n ASN 61 Ca -0.17 -0.72 -0.11 0.00 1.68 0.00 0.00 54.58 55.25 2ka9 n ASN 61 Cb 0.49 -2.64 -0.00 0.00 -1.54 0.00 0.00 39.78 36.09 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2ka9 n GLU 62 N -4.00 -1.19 -4.72 3.52 1.02 -1.26 -4.95 120.64 109.05 2ka9 n GLU 62 Ca 0.05 0.53 -0.32 0.00 -0.02 0.00 0.00 57.16 57.40 2ka9 n GLU 62 Cb 0.50 -4.62 -0.17 0.00 -0.02 0.00 0.00 31.44 27.13 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2ka9 s VAL 63 N -2.61 1.97 -0.11 2.62 1.01 0.33 -5.08 120.40 118.52 2ka9 s VAL 63 Ca 0.03 -0.93 -0.40 0.00 0.00 0.00 0.00 61.98 60.68 2ka9 s VAL 63 Cb -0.01 -1.74 -0.17 0.00 0.00 0.00 0.00 36.38 34.46 2ka9 s VAL 63 CO 0.04 0.53 1.46 0.47 0.00 0.00 0.00 175.10 177.59 2ka9 n ASP 64 N 4.00 1.56 -0.74 3.32 8.00 -1.26 -2.09 116.55 129.35 2ka9 n ASP 64 Ca -0.20 1.12 -0.01 0.00 0.71 0.00 0.00 54.79 56.41 2ka9 n ASP 64 Cb 0.52 -1.09 -0.01 0.00 -0.02 0.00 0.00 41.12 40.51 2ka9 n ASP 64 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 2ka9 n VAL 65 N 3.18 0.00 0.11 2.53 3.14 -1.26 -4.84 118.33 121.20 2ka9 n VAL 65 Ca 0.23 -0.12 0.08 0.00 -2.96 0.00 0.00 64.34 61.57 2ka9 n VAL 65 Cb 0.12 0.35 0.26 0.00 -1.06 0.00 0.00 33.84 33.51 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 2ka9 n ARG 66 N 0.06 2.58 0.00 1.45 1.85 -1.26 -4.13 116.66 117.21 2ka9 n ARG 66 Ca -0.06 -2.07 0.00 0.00 -1.00 0.00 0.00 57.85 54.72 2ka9 n ARG 66 Cb 0.67 -1.55 0.00 0.00 -1.05 0.00 0.00 32.46 30.53 2ka9 n ARG 66 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2ka9 n GLU 67 N 1.02 0.00 -4.65 2.89 0.28 -1.26 -3.03 120.64 115.89 2ka9 n GLU 67 Ca 0.19 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.85 2ka9 n GLU 67 Cb 0.56 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.31 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ka9 s VAL 68 N 0.00 3.58 1.05 3.84 -7.23 -1.25 -4.58 120.40 115.81 2ka9 s VAL 68 Ca 0.00 -0.52 -0.17 0.00 -1.81 0.00 0.00 61.98 59.48 2ka9 s VAL 68 Cb 0.00 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.52 2ka9 s VAL 68 CO 0.00 0.58 -0.02 0.41 -0.31 0.00 0.00 175.10 175.76 2ka9 n THR 69 N 2.48 0.00 -0.09 5.32 -1.04 -1.26 -1.70 114.28 118.00 2ka9 n THR 69 Ca -0.18 -0.25 -0.07 0.00 -2.04 0.00 0.00 64.05 61.51 2ka9 n THR 69 Cb 0.53 -0.54 0.00 0.00 -1.82 0.00 0.00 70.33 68.50 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 -1.79 0.08 -0.80 -1.42 2.76 -1.86 -1.78 115.15 110.35 2ka9 h HIS 70 Ca -0.49 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 57.77 2ka9 h HIS 70 Cb 1.34 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.24 2ka9 h HIS 70 CO 0.22 0.01 0.47 0.66 -1.30 0.00 0.00 177.93 177.99 2ka9 h SER 71 N 0.16 0.70 -0.28 3.26 4.64 -1.96 0.11 113.55 120.19 2ka9 h SER 71 Ca 0.15 0.03 -0.02 0.00 -0.47 0.00 0.00 61.79 61.48 2ka9 h SER 71 Cb 0.16 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 2ka9 h SER 71 CO -0.20 0.43 0.11 0.00 -0.87 0.00 0.00 176.83 176.30 2ka9 h ALA 72 N 1.41 1.56 -0.24 5.18 0.00 -1.70 0.21 119.26 125.68 2ka9 h ALA 72 Ca 0.37 -0.12 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 2ka9 h ALA 72 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2ka9 h ALA 72 CO -0.21 0.34 -0.58 0.00 0.00 0.00 0.00 179.25 178.80 2ka9 h ALA 73 N 1.64 0.40 -0.41 0.00 0.00 -0.24 -1.39 119.26 119.25 2ka9 h ALA 73 Ca 0.12 -0.53 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 2ka9 h ALA 73 Cb 0.15 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2ka9 h ALA 73 CO -0.01 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.15 2ka9 h VAL 74 N 0.58 1.23 -0.14 0.00 2.07 -0.09 -1.42 116.25 118.48 2ka9 h VAL 74 Ca -0.00 -0.92 -0.12 0.00 0.82 0.00 0.00 66.70 66.47 2ka9 h VAL 74 Cb 1.20 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.88 2ka9 h VAL 74 CO 0.13 0.32 -0.43 -0.33 0.02 0.00 0.00 177.57 177.28 2ka9 h GLU 75 N 0.63 0.32 -0.26 1.57 3.07 -0.45 0.37 114.58 119.83 2ka9 h GLU 75 Ca 0.13 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.73 2ka9 h GLU 75 Cb 0.41 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 2ka9 h GLU 75 CO 0.02 0.70 -0.21 0.00 -1.40 0.00 0.00 179.01 178.12 2ka9 h ALA 76 N 1.28 0.38 0.00 3.43 0.00 -0.62 0.21 119.26 123.95 2ka9 h ALA 76 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 76 Cb 0.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2ka9 h ALA 76 CO 0.07 0.32 -0.53 1.37 0.00 0.00 0.00 179.25 180.48 2ka9 h LEU 77 N 0.33 0.00 -0.17 0.00 8.10 -1.20 0.14 115.31 122.51 2ka9 h LEU 77 Ca 0.05 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.90 2ka9 h LEU 77 Cb 0.75 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.97 2ka9 h LEU 77 CO 0.05 0.53 -0.42 0.50 -4.11 0.00 0.00 178.44 175.00 2ka9 h LYS 78 N 0.00 0.59 -0.74 0.17 3.64 -0.05 -3.14 116.57 117.04 2ka9 h LYS 78 Ca -0.01 -0.40 -0.41 0.00 -1.27 0.00 0.00 60.65 58.57 2ka9 h LYS 78 Cb 1.19 0.06 -0.24 0.00 -0.41 0.00 0.00 32.23 32.84 2ka9 h LYS 78 CO 0.07 1.02 0.34 0.39 -2.27 0.00 0.00 179.45 179.00 2ka9 n GLU 79 N -4.25 2.17 0.08 1.90 1.02 0.72 -4.49 120.64 117.79 2ka9 n GLU 79 Ca -0.06 -3.15 -0.04 0.00 -0.02 0.00 0.00 57.16 53.88 2ka9 n GLU 79 Cb 0.55 -2.05 -0.08 0.00 -0.02 0.00 0.00 31.44 29.83 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 1.13 0.45 0.00 0.62 0.00 -0.66 -3.48 119.26 117.31 2ka9 h ALA 80 Ca 0.47 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ka9 h ALA 80 Cb 2.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.86 2ka9 h ALA 80 CO 0.87 1.09 0.00 0.41 0.00 0.00 0.00 179.25 181.62 2ka9 n GLY 81 N 1.32 1.33 2.04 0.00 0.00 -1.26 -4.50 105.19 104.11 2ka9 n GLY 81 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 3.26 -0.66 -4.32 1.61 7.64 -1.26 -4.85 113.62 115.04 2ka9 n SER 82 Ca 0.00 0.19 -0.45 0.00 1.01 0.00 0.00 58.87 59.61 2ka9 n SER 82 Cb 0.00 0.86 -0.02 0.00 -1.01 0.00 0.00 64.21 64.04 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 -2.00 5.69 -0.33 0.44 1.01 -1.25 0.11 121.20 124.87 2ka9 s ILE 83 Ca 0.00 -2.99 -0.25 0.00 0.00 0.00 0.00 60.65 57.41 2ka9 s ILE 83 Cb 0.00 -4.47 0.01 0.00 0.01 0.00 0.00 42.46 38.01 2ka9 s ILE 83 CO 0.00 -1.10 0.85 0.68 0.00 0.00 0.00 174.94 175.37 2ka9 s VAL 84 N -0.57 4.71 -1.12 2.92 -7.23 -1.04 -4.75 120.40 113.31 2ka9 s VAL 84 Ca 0.24 1.23 -0.22 0.00 -1.81 0.00 0.00 61.98 61.43 2ka9 s VAL 84 Cb -0.10 -4.23 0.00 0.00 0.56 0.00 0.00 36.38 32.61 2ka9 s VAL 84 CO -0.09 -0.35 1.76 -0.60 -0.31 0.00 0.00 175.10 175.51 2ka9 s ARG 85 N 3.16 3.21 0.14 4.82 6.06 -1.26 -1.46 118.95 133.63 2ka9 s ARG 85 Ca 0.35 -1.22 -0.24 0.00 -2.50 0.00 0.00 55.73 52.12 2ka9 s ARG 85 Cb -0.13 -5.32 -0.07 0.00 0.06 0.00 0.00 34.95 29.48 2ka9 s ARG 85 CO 0.14 -2.92 0.74 -0.51 -2.50 0.00 0.00 175.30 170.25 2ka9 s LEU 86 N 7.36 4.57 -0.20 -0.88 1.43 0.11 -0.70 118.68 130.37 2ka9 s LEU 86 Ca 0.59 1.56 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 2ka9 s LEU 86 Cb -0.00 -3.21 0.04 0.00 0.03 0.00 0.00 46.19 43.05 2ka9 s LEU 86 CO 0.03 0.20 -0.10 -0.31 0.23 0.00 0.00 176.35 176.40 2ka9 s TYR 87 N -1.03 2.46 0.33 0.29 1.51 0.38 0.19 117.35 121.48 2ka9 s TYR 87 Ca 0.35 -1.63 0.05 0.00 -1.01 0.00 0.00 57.07 54.83 2ka9 s TYR 87 Cb -0.22 -1.66 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 2ka9 s TYR 87 CO 0.25 -0.75 0.01 0.14 -1.11 0.00 0.00 175.55 174.09 2ka9 s VAL 88 N 1.38 1.51 -0.23 0.71 -7.23 -0.19 0.81 120.40 117.15 2ka9 s VAL 88 Ca -0.01 -2.04 -0.00 0.00 -1.81 0.00 0.00 61.98 58.12 2ka9 s VAL 88 Cb -0.16 -2.75 0.06 0.00 0.56 0.00 0.00 36.38 34.10 2ka9 s VAL 88 CO -0.08 -0.08 -0.02 -0.04 -0.31 0.00 0.00 175.10 174.56 2ka9 s MET 89 N -3.80 1.34 -0.14 4.82 -1.94 0.16 0.52 119.30 120.27 2ka9 s MET 89 Ca 0.34 -0.90 0.01 0.00 -1.71 0.00 0.00 55.69 53.43 2ka9 s MET 89 Cb 0.08 -2.47 -0.00 0.00 2.01 0.00 0.00 34.83 34.45 2ka9 s MET 89 CO 0.15 -0.65 -0.16 0.50 -0.01 0.00 0.00 175.02 174.85 2ka9 s ARG 90 N 1.50 3.22 -0.02 2.03 3.00 0.28 -1.15 118.95 127.81 2ka9 s ARG 90 Ca -0.03 -0.76 -0.30 0.00 -1.00 0.00 0.00 55.73 53.64 2ka9 s ARG 90 Cb -0.18 -2.56 -0.06 0.00 0.00 0.00 0.00 34.95 32.14 2ka9 s ARG 90 CO -0.08 0.10 1.69 1.03 0.00 0.00 0.00 175.30 178.04 2ka9 s ARG 91 N 0.61 4.18 0.12 5.12 3.00 -1.26 -1.24 118.95 129.47 2ka9 s ARG 91 Ca -0.09 2.27 -0.31 0.00 0.00 0.00 0.00 55.73 57.60 2ka9 s ARG 91 Cb -0.16 -3.94 -0.07 0.00 0.00 0.00 0.00 34.95 30.78 2ka9 s ARG 91 CO 0.03 -0.84 1.26 0.21 0.00 0.00 0.00 175.30 175.96 2ka9 s LYS 92 N 3.82 4.41 0.84 3.54 2.36 -1.26 -4.86 119.74 128.59 2ka9 s LYS 92 Ca 0.75 1.90 -0.11 0.00 -2.55 0.00 0.00 55.97 55.96 2ka9 s LYS 92 Cb -0.36 -3.28 0.09 0.00 -1.05 0.00 0.00 37.83 33.24 2ka9 s LYS 92 CO 0.32 -0.27 1.09 -1.25 1.55 0.00 0.00 175.35 176.79 2ka9 s PRO 93 N 0.67 1.74 0.00 4.03 0.04 -1.26 -4.98 135.00 135.25 2ka9 s PRO 93 Ca 0.59 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.59 2ka9 s PRO 93 Cb -0.33 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2ka9 s PRO 93 CO 0.32 -1.94 0.00 -2.30 0.04 0.00 0.00 177.00 173.12 2ka9 n PRO 94 N -3.70 1.03 0.00 0.56 -0.02 -1.26 -5.06 135.00 126.56 2ka9 n PRO 94 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2ka9 n PRO 94 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.02 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ka9 n ALA 95 N -3.00 0.00 -3.51 3.55 0.00 -1.26 -4.47 120.51 111.82 2ka9 n ALA 95 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 2ka9 n ALA 95 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 2ka9 n ALA 95 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ka9 n GLU 96 N 0.00 0.89 0.00 0.00 0.00 -1.25 -4.76 120.64 115.52 2ka9 n GLU 96 Ca 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 57.16 54.97 2ka9 n GLU 96 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 31.44 31.55 2ka9 n GLU 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2ka9 n LYS 97 N -1.51 0.00 -4.39 3.44 4.01 -1.26 -3.74 118.16 114.71 2ka9 n LYS 97 Ca 0.03 0.00 -0.25 0.00 -0.51 0.00 0.00 58.31 57.58 2ka9 n LYS 97 Cb 0.41 0.00 -0.12 0.00 -0.51 0.00 0.00 35.03 34.81 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2ka9 s VAL 98 N -0.91 2.15 0.17 -0.18 1.01 -1.26 0.09 120.40 121.47 2ka9 s VAL 98 Ca 0.00 -1.98 0.02 0.00 0.00 0.00 0.00 61.98 60.02 2ka9 s VAL 98 Cb 0.00 -2.01 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 2ka9 s VAL 98 CO 0.00 -0.18 -0.00 -0.32 0.00 0.00 0.00 175.10 174.60 2ka9 s MET 99 N -2.68 1.12 -0.30 2.72 1.75 0.30 -4.80 119.30 117.41 2ka9 s MET 99 Ca 0.18 -1.54 0.02 0.00 -1.25 0.00 0.00 55.69 53.11 2ka9 s MET 99 Cb -0.07 -0.30 0.07 0.00 2.84 0.00 0.00 34.83 37.37 2ka9 s MET 99 CO 0.09 -0.12 -0.04 -1.83 -0.65 0.00 0.00 175.02 172.47 2ka9 s GLU 100 N -3.91 2.03 0.21 4.11 1.03 -1.26 -1.94 118.70 118.97 2ka9 s GLU 100 Ca 0.24 -1.51 0.11 0.00 0.03 0.00 0.00 54.97 53.84 2ka9 s GLU 100 Cb 0.06 -3.05 -0.05 0.00 -0.80 0.00 0.00 34.13 30.29 2ka9 s GLU 100 CO 0.04 -0.71 -0.23 0.42 -1.33 0.00 0.00 175.26 173.46 2ka9 s ILE 101 N 1.06 2.33 -0.18 1.83 -1.09 -0.50 -4.99 121.20 119.66 2ka9 s ILE 101 Ca -0.02 -2.11 -0.01 0.00 -2.23 0.00 0.00 60.65 56.28 2ka9 s ILE 101 Cb -0.20 -2.14 -0.00 0.00 -1.58 0.00 0.00 42.46 38.54 2ka9 s ILE 101 CO -0.05 -0.20 -0.12 -0.54 -1.23 0.00 0.00 174.94 172.79 2ka9 s LYS 102 N -2.88 3.24 -0.17 2.79 1.02 -1.26 0.53 119.74 123.01 2ka9 s LYS 102 Ca 0.22 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.50 2ka9 s LYS 102 Cb -0.07 -2.74 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2ka9 s LYS 102 CO 0.11 -0.07 -0.15 -1.17 -0.92 0.00 0.00 175.35 173.15 2ka9 s LEU 103 N 1.06 2.00 0.05 3.17 0.20 0.77 -2.85 118.68 123.06 2ka9 s LEU 103 Ca -0.00 -0.65 -0.08 0.00 0.69 0.00 0.00 54.13 54.08 2ka9 s LEU 103 Cb -0.15 -1.29 -0.05 0.00 -0.43 0.00 0.00 46.19 44.27 2ka9 s LEU 103 CO -0.03 -0.06 0.34 0.27 -0.29 0.00 0.00 176.35 176.58 2ka9 s ILE 104 N 1.40 5.18 0.46 6.68 -4.36 -1.26 -1.48 121.20 127.83 2ka9 s ILE 104 Ca 0.03 0.33 -0.16 0.00 -0.26 0.00 0.00 60.65 60.59 2ka9 s ILE 104 Cb -0.14 -3.61 -0.08 0.00 1.25 0.00 0.00 42.46 39.88 2ka9 s ILE 104 CO -0.11 0.33 0.92 -0.75 0.24 0.00 0.00 174.94 175.57 2ka9 s LYS 105 N -1.83 3.98 0.31 0.37 2.36 0.13 -4.28 119.74 120.77 2ka9 s LYS 105 Ca 0.30 0.87 0.05 0.00 -2.55 0.00 0.00 55.97 54.64 2ka9 s LYS 105 Cb -0.14 -2.22 -0.02 0.00 -1.05 0.00 0.00 37.83 34.41 2ka9 s LYS 105 CO 0.17 -0.14 0.17 0.41 1.55 0.00 0.00 175.35 177.51 2ka9 n GLY 106 N -1.21 3.27 0.18 5.54 0.00 0.33 -4.87 105.19 108.44 2ka9 n GLY 106 Ca 0.06 -1.98 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 2ka9 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka9 h PRO 107 N 0.00 0.16 -0.65 1.61 0.13 -2.00 -2.50 132.00 128.75 2ka9 h PRO 107 Ca -0.23 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2ka9 h PRO 107 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 2ka9 h PRO 107 CO 0.36 0.58 0.00 1.17 -0.23 0.00 0.00 178.00 179.88 2ka9 n LYS 108 N -3.99 4.27 0.00 0.86 4.81 -1.26 -5.03 118.16 117.82 2ka9 n LYS 108 Ca -0.02 -2.66 0.00 0.00 -0.87 0.00 0.00 58.31 54.76 2ka9 n LYS 108 Cb 0.50 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.41 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2ka9 n GLY 109 N 0.55 -0.33 0.08 3.14 0.00 -0.94 -4.46 105.19 103.23 2ka9 n GLY 109 Ca 0.23 -1.95 0.12 0.00 0.00 0.00 0.00 46.02 44.43 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 110 N 0.00 0.74 -0.84 0.99 4.32 -1.26 0.12 117.00 121.07 2ka9 n LEU 110 Ca 0.00 0.31 0.00 0.00 -0.02 0.00 0.00 56.01 56.30 2ka9 n LEU 110 Cb 0.00 -0.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.59 2ka9 n LEU 110 CO 0.00 -0.09 0.00 0.61 -1.22 0.00 0.00 177.39 176.69 2ka9 n GLY 111 N 1.33 0.48 3.64 -0.72 0.00 -1.26 -2.03 105.19 106.63 2ka9 n GLY 111 Ca 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.64 -0.04 -0.24 1.61 -0.71 -1.26 -4.18 117.98 110.53 2ka9 s PHE 112 Ca 0.00 0.05 -0.03 0.00 -1.04 0.00 0.00 56.93 55.91 2ka9 s PHE 112 Cb 0.00 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.32 2ka9 s PHE 112 CO 0.00 -0.05 -0.05 -1.12 -1.34 0.00 0.00 175.22 172.66 2ka9 s SER 113 N -1.53 4.29 0.10 1.98 0.01 0.31 -4.98 113.70 113.88 2ka9 s SER 113 Ca 0.10 -0.70 0.04 0.00 1.31 0.00 0.00 55.95 56.70 2ka9 s SER 113 Cb -0.01 -1.69 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 2ka9 s SER 113 CO -0.05 -0.09 -0.10 0.27 0.41 0.00 0.00 173.24 173.67 2ka9 s ILE 114 N 1.38 0.96 -0.22 1.44 -4.36 -1.26 0.17 121.20 119.32 2ka9 s ILE 114 Ca 0.02 -1.63 -0.10 0.00 -0.26 0.00 0.00 60.65 58.69 2ka9 s ILE 114 Cb -0.16 -1.35 0.08 0.00 1.25 0.00 0.00 42.46 42.28 2ka9 s ILE 114 CO -0.04 -0.54 0.50 0.00 0.24 0.00 0.00 174.94 175.09 2ka9 s ALA 115 N -2.39 -1.37 0.20 2.27 0.00 -0.55 -4.94 121.76 114.98 2ka9 s ALA 115 Ca 0.05 1.79 -0.05 0.00 0.00 0.00 0.00 51.96 53.76 2ka9 s ALA 115 Cb -0.03 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.83 2ka9 s ALA 115 CO 0.00 -0.55 0.34 0.41 0.00 0.00 0.00 175.76 175.96 2ka9 n GLY 116 N 4.84 1.99 4.71 0.00 0.00 -1.12 -3.09 105.19 112.53 2ka9 n GLY 116 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.29 -1.93 3.81 -0.02 0.00 0.10 -3.49 105.19 103.37 2ka9 n GLY 117 Ca -0.02 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 0.00 4.51 0.00 1.61 1.01 -1.26 -2.22 120.40 124.05 2ka9 s VAL 118 Ca 0.00 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2ka9 s VAL 118 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2ka9 s VAL 118 CO 0.00 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 2ka9 n GLY 119 N 0.58 3.02 2.73 4.51 0.00 -1.26 -1.87 105.19 112.90 2ka9 n GLY 119 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.94 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 0.22 -2.49 0.00 1.61 5.15 -1.25 -4.98 115.26 113.53 2ka9 n ASN 120 Ca 0.00 -2.87 0.09 0.00 -0.60 0.00 0.00 54.58 51.21 2ka9 n ASN 120 Cb 0.00 1.53 0.47 0.00 -0.53 0.00 0.00 39.78 41.25 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 1.68 0.25 0.00 1.20 6.02 -0.94 -2.77 117.38 122.81 2ka9 n GLN 121 Ca 0.07 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.18 2ka9 n GLN 121 Cb 0.65 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2ka9 n HIS 122 N -1.30 0.00 -3.01 1.08 -0.00 -1.25 -4.41 115.22 106.33 2ka9 n HIS 122 Ca 0.09 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.44 2ka9 n HIS 122 Cb 0.16 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.08 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 4.46 -0.62 3.57 1.01 -1.26 -4.94 121.20 123.42 2ka9 s ILE 123 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 60.65 62.00 2ka9 s ILE 123 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 42.46 38.46 2ka9 s ILE 123 CO 0.00 0.21 1.80 -2.65 0.00 0.00 0.00 174.94 174.30 2ka9 n PRO 124 N 0.73 1.35 0.00 2.79 -0.02 -1.26 -3.51 135.00 135.09 2ka9 n PRO 124 Ca -0.01 -1.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.14 2ka9 n PRO 124 Cb 0.51 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 125 N 4.10 0.54 3.07 -1.23 0.00 -1.26 -5.14 105.19 105.28 2ka9 n GLY 125 Ca 0.37 -0.79 0.04 0.00 0.00 0.00 0.00 46.02 45.64 2ka9 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 126 N -0.49 -0.77 0.62 1.61 1.11 -1.23 -5.01 116.67 112.50 2ka9 s ASP 126 Ca 0.00 -0.07 0.30 0.00 0.18 0.00 0.00 52.55 52.97 2ka9 s ASP 126 Cb 0.00 1.31 1.66 0.00 1.07 0.00 0.00 42.92 46.96 2ka9 s ASP 126 CO 0.00 -0.12 2.01 0.78 1.18 0.00 0.00 175.17 179.02 2ka9 h ASN 127 N 6.97 0.00 -3.42 0.27 2.35 -1.85 -3.41 115.58 116.49 2ka9 h ASN 127 Ca -0.05 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.13 2ka9 h ASN 127 Cb 1.19 0.00 0.13 0.00 0.05 0.00 0.00 38.32 39.69 2ka9 h ASN 127 CO -0.02 0.00 0.36 -0.24 -1.65 0.00 0.00 177.43 175.88 2ka9 n SER 128 N -3.47 1.99 -4.64 5.81 2.88 -1.26 0.02 113.62 114.95 2ka9 n SER 128 Ca 0.02 1.05 -0.42 0.00 -1.33 0.00 0.00 58.87 58.19 2ka9 n SER 128 Cb 0.42 -1.45 -0.04 0.00 -0.75 0.00 0.00 64.21 62.39 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 2ka9 s ILE 129 N -1.25 4.80 0.19 2.46 1.01 -1.22 -4.44 121.20 122.74 2ka9 s ILE 129 Ca 0.64 1.58 0.09 0.00 0.00 0.00 0.00 60.65 62.96 2ka9 s ILE 129 Cb -0.51 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 37.76 2ka9 s ILE 129 CO 0.56 -0.13 -0.10 -0.31 0.00 0.00 0.00 174.94 174.96 2ka9 s TYR 130 N 2.94 2.60 0.42 3.97 1.51 -1.18 -0.61 117.35 127.00 2ka9 s TYR 130 Ca 0.36 -0.24 -0.10 0.00 -1.01 0.00 0.00 57.07 56.09 2ka9 s TYR 130 Cb -0.15 -1.26 -0.06 0.00 -0.11 0.00 0.00 41.96 40.38 2ka9 s TYR 130 CO 0.08 0.53 0.79 0.08 -1.11 0.00 0.00 175.55 175.92 2ka9 s VAL 131 N -1.78 4.79 0.02 0.71 1.01 0.93 -1.48 120.40 124.60 2ka9 s VAL 131 Ca 0.25 0.59 -0.03 0.00 0.00 0.00 0.00 61.98 62.78 2ka9 s VAL 131 Cb -0.08 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2ka9 s VAL 131 CO 0.15 -0.59 -0.07 0.35 0.00 0.00 0.00 175.10 174.94 2ka9 n THR 132 N -1.48 1.02 -3.69 3.92 -2.24 0.45 -3.61 114.28 108.65 2ka9 n THR 132 Ca 0.02 0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.90 2ka9 n THR 132 Cb 0.54 -1.70 -0.08 0.00 -2.10 0.00 0.00 70.33 67.00 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 133 N -2.16 0.79 0.00 -0.78 2.36 -1.15 -4.69 119.74 114.11 2ka9 s LYS 133 Ca -0.06 -0.06 0.04 0.00 -2.55 0.00 0.00 55.97 53.34 2ka9 s LYS 133 Cb 0.01 0.36 -0.01 0.00 -1.05 0.00 0.00 37.83 37.14 2ka9 s LYS 133 CO 0.09 -0.23 -0.13 0.42 1.55 0.00 0.00 175.35 177.05 2ka9 s ILE 134 N -1.30 1.02 0.97 5.43 1.01 -1.26 0.11 121.20 127.19 2ka9 s ILE 134 Ca -0.13 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.71 2ka9 s ILE 134 Cb -0.04 -0.88 0.18 0.00 0.01 0.00 0.00 42.46 41.74 2ka9 s ILE 134 CO 0.06 0.20 1.19 -0.63 0.00 0.00 0.00 174.94 175.76 2ka9 s ILE 135 N -0.45 1.92 -0.09 2.92 1.01 -1.26 -5.01 121.20 120.24 2ka9 s ILE 135 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2ka9 s ILE 135 Cb -0.06 -2.80 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 2ka9 s ILE 135 CO -0.00 0.00 0.26 -0.70 0.00 0.00 0.00 174.94 174.50 2ka9 s GLU 136 N -5.52 3.77 -0.99 2.79 2.12 -1.26 -4.22 118.70 115.39 2ka9 s GLU 136 Ca 0.68 0.10 0.00 0.00 0.36 0.00 0.00 54.97 56.11 2ka9 s GLU 136 Cb -0.10 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.04 2ka9 s GLU 136 CO 0.53 0.65 0.00 0.41 -0.54 0.00 0.00 175.26 176.31 2ka9 n GLY 137 N 2.20 0.28 1.33 -1.50 0.00 -1.26 -5.02 105.19 101.22 2ka9 n GLY 137 Ca -0.16 -0.46 -0.09 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.19 0.03 0.06 -0.02 0.00 -1.26 -4.98 105.19 97.82 2ka9 n GLY 138 Ca -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 46.02 43.99 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 139 N -1.00 -0.01 -0.14 4.61 0.00 -1.83 -3.24 119.26 117.65 2ka9 h ALA 139 Ca -0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 2ka9 h ALA 139 Cb 0.42 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ka9 h ALA 139 CO 0.12 -0.01 -0.12 0.00 0.00 0.00 0.00 179.25 179.24 2ka9 h ALA 140 N -0.82 1.55 0.58 0.00 0.00 -1.59 0.39 119.26 119.38 2ka9 h ALA 140 Ca -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 2ka9 h ALA 140 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2ka9 h ALA 140 CO 0.00 0.32 -0.39 1.25 0.00 0.00 0.00 179.25 180.43 2ka9 h HIS 141 N 0.20 -1.06 -0.16 0.00 6.17 -1.73 1.57 115.15 120.14 2ka9 h HIS 141 Ca 0.04 -0.01 -0.21 0.00 0.71 0.00 0.00 60.37 60.91 2ka9 h HIS 141 Cb 0.34 0.39 0.00 0.00 2.52 0.00 0.00 27.41 30.66 2ka9 h HIS 141 CO 0.00 -0.57 -0.72 0.87 0.71 0.00 0.00 177.93 178.22 2ka9 h LYS 142 N -0.93 0.72 0.00 5.26 1.57 -1.56 -1.01 116.57 120.62 2ka9 h LYS 142 Ca -0.08 -0.55 -0.00 0.00 -1.87 0.00 0.00 60.65 58.15 2ka9 h LYS 142 Cb 0.75 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.17 2ka9 h LYS 142 CO 0.06 1.17 -0.02 0.22 -0.57 0.00 0.00 179.45 180.30 2ka9 h ASP 143 N 0.50 0.00 -0.15 0.86 1.82 -0.22 -3.39 116.42 115.84 2ka9 h ASP 143 Ca -0.03 -0.06 -0.13 0.00 -0.39 0.00 0.00 57.03 56.41 2ka9 h ASP 143 Cb 1.33 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.34 2ka9 h ASP 143 CO 0.14 0.54 -0.42 1.23 -1.61 0.00 0.00 179.24 179.12 2ka9 h GLY 144 N -1.00 0.61 -0.71 -0.78 0.00 0.19 -3.42 103.07 97.96 2ka9 h GLY 144 Ca -0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 47.33 46.25 2ka9 h GLY 144 CO -0.00 0.69 -0.27 0.54 0.00 0.00 0.00 176.54 177.50 2ka9 n ARG 145 N -4.26 -1.25 -2.78 4.80 3.00 0.32 -4.86 116.66 111.62 2ka9 n ARG 145 Ca -0.07 1.01 -0.44 0.00 -0.01 0.00 0.00 57.85 58.35 2ka9 n ARG 145 Cb 0.55 -5.24 0.00 0.00 0.00 0.00 0.00 32.46 27.78 2ka9 n ARG 145 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2ka9 n LEU 146 N -1.69 5.18 -4.42 0.55 -0.00 -1.26 -5.00 117.00 110.37 2ka9 n LEU 146 Ca -0.15 -4.26 -0.29 0.00 -0.00 0.00 0.00 56.01 51.31 2ka9 n LEU 146 Cb 0.54 -1.66 0.27 0.00 -0.00 0.00 0.00 43.42 42.57 2ka9 n LEU 146 CO 0.23 0.54 0.47 0.00 -0.00 0.00 0.00 177.39 178.63 2ka9 s GLN 147 N 2.53 -1.62 -0.00 1.47 -2.07 -1.26 -4.65 119.66 114.05 2ka9 s GLN 147 Ca 0.47 0.68 -0.38 0.00 -1.82 0.00 0.00 55.36 54.31 2ka9 s GLN 147 Cb 0.00 -1.48 -0.16 0.00 -1.09 0.00 0.00 33.01 30.27 2ka9 s GLN 147 CO 0.03 -4.15 1.44 -0.89 -1.32 0.00 0.00 175.29 170.40 2ka9 n ILE 148 N -5.19 0.08 0.00 3.63 5.41 -1.26 -2.01 119.36 120.01 2ka9 n ILE 148 Ca 0.04 -0.01 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2ka9 n ILE 148 Cb 0.55 -0.92 0.00 0.00 -0.71 0.00 0.00 39.64 38.57 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 2.93 1.36 3.69 7.39 0.00 -1.24 -5.03 105.19 114.28 2ka9 n GLY 149 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2ka9 n GLY 149 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka9 n ASP 150 N 0.00 1.48 -3.76 1.61 9.92 -0.85 -4.63 116.55 120.32 2ka9 n ASP 150 Ca 0.00 0.77 -0.19 0.00 -0.53 0.00 0.00 54.79 54.84 2ka9 n ASP 150 Cb 0.00 -1.50 -0.17 0.00 -0.64 0.00 0.00 41.12 38.81 2ka9 n ASP 150 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2ka9 s LYS 151 N -3.34 0.23 -0.19 -1.24 0.00 -1.26 -0.05 119.74 113.90 2ka9 s LYS 151 Ca 0.79 0.19 -0.08 0.00 0.00 0.00 0.00 55.97 56.87 2ka9 s LYS 151 Cb -0.37 -0.59 -0.04 0.00 0.00 0.00 0.00 37.83 36.82 2ka9 s LYS 151 CO 0.44 -0.24 0.09 0.96 0.00 0.00 0.00 175.35 176.60 2ka9 s ILE 152 N 1.61 5.04 -2.79 3.79 -5.25 0.22 0.86 121.20 124.67 2ka9 s ILE 152 Ca -0.02 0.06 0.24 0.00 -0.99 0.00 0.00 60.65 59.94 2ka9 s ILE 152 Cb -0.13 -3.28 0.15 0.00 2.95 0.00 0.00 42.46 42.15 2ka9 s ILE 152 CO -0.03 0.46 1.22 0.00 -1.79 0.00 0.00 174.94 174.80 2ka9 n LEU 153 N 3.48 2.80 0.00 0.37 -0.00 0.42 -3.45 117.00 120.62 2ka9 n LEU 153 Ca -0.16 -0.95 0.00 0.00 -0.00 0.00 0.00 56.01 54.89 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 0.36 0.47 0.00 0.00 -0.00 0.00 0.00 177.39 178.22 2ka9 n ALA 154 N 1.07 0.00 -3.70 1.47 0.00 -1.22 -4.65 120.51 113.48 2ka9 n ALA 154 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.19 2ka9 n ALA 154 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.92 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 3.59 0.00 0.00 1.01 -1.16 0.57 120.40 122.41 2ka9 s VAL 155 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.00 2ka9 s VAL 155 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2ka9 s VAL 155 CO 0.00 -0.72 0.00 0.59 0.00 0.00 0.00 175.10 174.97 2ka9 n ASN 156 N 4.68 0.00 -0.78 3.32 3.02 0.29 -1.35 115.26 124.45 2ka9 n ASN 156 Ca -0.04 0.00 -0.04 0.00 -0.03 0.00 0.00 54.58 54.47 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 1.80 -0.61 -4.92 6.41 2.88 -1.26 -4.97 113.62 112.95 2ka9 n SER 157 Ca 0.00 -1.41 -0.26 0.00 -1.33 0.00 0.00 58.87 55.87 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 5.17 -0.77 2.46 1.01 -0.45 -5.06 120.40 122.76 2ka9 s VAL 158 Ca 0.00 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.24 2ka9 s VAL 158 Cb 0.00 -3.66 0.21 0.00 0.00 0.00 0.00 36.38 32.93 2ka9 s VAL 158 CO 0.00 -0.10 0.69 0.61 0.00 0.00 0.00 175.10 176.30 2ka9 n GLY 159 N -0.54 4.31 0.81 4.51 0.00 -1.26 -3.01 105.19 110.00 2ka9 n GLY 159 Ca -0.07 -2.64 -0.00 0.00 0.00 0.00 0.00 46.02 43.30 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2ka9 n LEU 160 N 1.74 2.17 -1.53 0.99 -0.00 -1.26 -3.28 117.00 115.83 2ka9 n LEU 160 Ca 0.23 -1.09 0.03 0.00 -0.00 0.00 0.00 56.01 55.18 2ka9 n LEU 160 Cb 0.37 -0.51 0.05 0.00 -0.00 0.00 0.00 43.42 43.32 2ka9 n LEU 160 CO 0.35 0.39 0.09 -0.62 -0.00 0.00 0.00 177.39 177.61 2ka9 n GLU 161 N 0.22 0.44 -1.18 1.47 1.02 -1.26 -4.42 120.64 116.92 2ka9 n GLU 161 Ca 0.02 -2.35 0.01 0.00 -0.02 0.00 0.00 57.16 54.82 2ka9 n GLU 161 Cb 0.42 -0.40 -0.00 0.00 -0.02 0.00 0.00 31.44 31.44 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ka9 n ASP 162 N 0.16 0.41 0.00 1.62 8.00 -1.21 -4.89 116.55 120.65 2ka9 n ASP 162 Ca 0.08 -1.95 0.00 0.00 0.71 0.00 0.00 54.79 53.64 2ka9 n ASP 162 Cb 1.05 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 42.00 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka9 n VAL 163 N 0.30 0.00 0.00 2.53 0.31 -1.26 -5.09 118.33 115.12 2ka9 n VAL 163 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2ka9 n VAL 163 Cb 0.96 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.81 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 -1.47 0.00 -0.02 5.55 2.81 -1.26 -4.53 117.12 118.20 2ka9 n MET 164 Ca 0.00 0.00 0.22 0.00 -1.81 0.00 0.00 57.70 56.11 2ka9 n MET 164 Cb 0.00 0.00 0.70 0.00 -0.71 0.00 0.00 33.22 33.21 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 0.00 -0.06 2.03 2.07 -1.41 0.45 115.15 118.23 2ka9 h HIS 165 Ca 0.00 0.00 -0.09 0.00 -2.85 0.00 0.00 60.37 57.43 2ka9 h HIS 165 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2ka9 h HIS 165 CO 0.00 0.00 -0.30 1.49 -3.07 0.00 0.00 177.93 176.05 2ka9 h GLU 166 N 0.00 0.31 -0.24 5.12 4.81 -1.88 -0.20 114.58 122.50 2ka9 h GLU 166 Ca 0.28 -0.25 -0.16 0.00 -0.13 0.00 0.00 59.36 59.10 2ka9 h GLU 166 Cb 1.14 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 2ka9 h GLU 166 CO -0.00 0.90 -0.50 0.22 -0.73 0.00 0.00 179.01 178.90 2ka9 h ASP 167 N -0.20 0.74 -0.24 1.04 1.82 -1.66 0.14 116.42 118.06 2ka9 h ASP 167 Ca -0.02 -0.37 -0.16 0.00 -0.39 0.00 0.00 57.03 56.08 2ka9 h ASP 167 Cb 0.95 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 40.75 2ka9 h ASP 167 CO 0.06 1.11 -0.46 0.00 -1.61 0.00 0.00 179.24 178.34 2ka9 h ALA 168 N 0.92 0.61 -0.30 -0.78 0.00 -1.03 0.19 119.26 118.86 2ka9 h ALA 168 Ca 0.02 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.31 2ka9 h ALA 168 Cb 1.05 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ka9 h ALA 168 CO 0.10 0.68 -0.38 0.28 0.00 0.00 0.00 179.25 179.93 2ka9 h VAL 169 N 0.64 1.29 -0.03 0.00 2.07 -0.91 -1.41 116.25 117.89 2ka9 h VAL 169 Ca 0.04 -1.56 -0.13 0.00 0.82 0.00 0.00 66.70 65.86 2ka9 h VAL 169 Cb 1.04 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 2ka9 h VAL 169 CO 0.10 0.51 -0.59 0.00 0.02 0.00 0.00 177.57 177.61 2ka9 h ALA 170 N 0.70 0.95 0.00 1.67 0.00 -0.66 -2.17 119.26 119.74 2ka9 h ALA 170 Ca 0.04 -0.53 -0.12 0.00 0.00 0.00 0.00 54.91 54.29 2ka9 h ALA 170 Cb 0.97 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 2ka9 h ALA 170 CO 0.09 0.73 -0.58 0.00 0.00 0.00 0.00 179.25 179.49 2ka9 h ALA 171 N 1.31 0.77 0.17 0.00 0.00 -0.53 -1.04 119.26 119.95 2ka9 h ALA 171 Ca -0.01 -0.53 -0.31 0.00 0.00 0.00 0.00 54.91 54.06 2ka9 h ALA 171 Cb 1.06 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.77 2ka9 h ALA 171 CO 0.08 0.73 -1.45 1.37 0.00 0.00 0.00 179.25 179.97 2ka9 h LEU 172 N 0.00 0.58 -0.54 0.00 8.10 -1.15 -3.09 115.31 119.20 2ka9 h LEU 172 Ca -0.01 -0.68 -0.11 0.00 0.11 0.00 0.00 57.88 57.20 2ka9 h LEU 172 Cb 1.25 -0.19 -0.02 0.00 -0.44 0.00 0.00 40.66 41.27 2ka9 h LEU 172 CO 0.08 1.55 -0.50 0.07 -4.11 0.00 0.00 178.44 175.52 2ka9 h LYS 173 N 0.10 0.00 0.00 0.17 2.10 -1.42 -2.83 116.57 114.69 2ka9 h LYS 173 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2ka9 h LYS 173 Cb 2.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.39 2ka9 h LYS 173 CO 0.21 0.50 0.00 0.09 -2.00 0.00 0.00 179.45 178.26 2ka9 n ASN 174 N -3.44 0.00 -3.36 7.07 3.02 -0.40 -4.87 115.26 113.28 2ka9 n ASN 174 Ca 0.00 0.47 -0.15 0.00 -0.03 0.00 0.00 54.58 54.87 2ka9 n ASN 174 Cb 0.63 -0.49 0.15 0.00 -0.61 0.00 0.00 39.78 39.46 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 -3.35 3.41 -2.24 -1.07 -5.02 114.28 104.53 2ka9 n THR 175 Ca 0.07 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.66 2ka9 n THR 175 Cb 0.30 -0.50 -0.00 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 -1.81 2.97 0.60 4.78 5.04 -1.26 -4.98 117.35 122.69 2ka9 s TYR 176 Ca 0.34 -0.30 0.28 0.00 -2.44 0.00 0.00 57.07 54.94 2ka9 s TYR 176 Cb -0.06 -2.12 1.40 0.00 0.35 0.00 0.00 41.96 41.53 2ka9 s TYR 176 CO 0.28 -0.14 1.81 0.22 -1.34 0.00 0.00 175.55 176.38 2ka9 h ASP 177 N 0.85 0.00 -2.00 4.32 1.82 -1.91 -3.30 116.42 116.20 2ka9 h ASP 177 Ca -0.43 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.84 2ka9 h ASP 177 Cb 1.26 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.96 2ka9 h ASP 177 CO 0.51 0.00 -0.68 -0.69 -1.61 0.00 0.00 179.24 176.77 2ka9 s VAL 178 N -4.51 -0.33 0.08 2.25 1.01 -1.26 0.17 120.40 117.80 2ka9 s VAL 178 Ca -0.04 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.10 2ka9 s VAL 178 Cb 0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2ka9 s VAL 178 CO 0.49 -0.57 -0.12 0.68 0.00 0.00 0.00 175.10 175.58 2ka9 s VAL 179 N 1.60 3.22 -0.19 2.92 -7.23 -0.55 -4.95 120.40 115.24 2ka9 s VAL 179 Ca 0.15 -1.22 -0.17 0.00 -1.81 0.00 0.00 61.98 58.94 2ka9 s VAL 179 Cb -0.15 -2.46 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2ka9 s VAL 179 CO -0.09 0.19 0.44 -0.47 -0.31 0.00 0.00 175.10 174.86 2ka9 s TYR 180 N -1.12 3.40 0.04 2.82 6.14 -1.26 -0.17 117.35 127.20 2ka9 s TYR 180 Ca 0.19 0.70 0.06 0.00 0.64 0.00 0.00 57.07 58.67 2ka9 s TYR 180 Cb -0.11 -2.56 -0.03 0.00 0.42 0.00 0.00 41.96 39.68 2ka9 s TYR 180 CO 0.11 0.00 -0.15 -0.48 0.64 0.00 0.00 175.55 175.67 2ka9 s LEU 181 N 1.25 2.74 -0.39 6.97 2.34 0.19 0.11 118.68 131.88 2ka9 s LEU 181 Ca 0.21 -0.37 -0.17 0.00 0.06 0.00 0.00 54.13 53.87 2ka9 s LEU 181 Cb -0.15 -1.59 0.01 0.00 -0.56 0.00 0.00 46.19 43.90 2ka9 s LEU 181 CO 0.09 0.26 0.43 -0.54 -1.06 0.00 0.00 176.35 175.52 2ka9 s LYS 182 N -1.46 3.31 0.29 1.48 1.02 0.19 -1.41 119.74 123.17 2ka9 s LYS 182 Ca 0.15 -0.57 0.06 0.00 0.02 0.00 0.00 55.97 55.64 2ka9 s LYS 182 Cb -0.11 -3.90 -0.02 0.00 -0.52 0.00 0.00 37.83 33.28 2ka9 s LYS 182 CO 0.06 -0.73 0.35 0.08 -0.92 0.00 0.00 175.35 174.19 2ka9 s VAL 183 N 2.15 4.31 -0.07 3.17 1.01 -0.82 -0.44 120.40 129.71 2ka9 s VAL 183 Ca 0.13 -1.16 0.05 0.00 0.00 0.00 0.00 61.98 61.00 2ka9 s VAL 183 Cb -0.17 -3.47 -0.00 0.00 0.00 0.00 0.00 36.38 32.74 2ka9 s VAL 183 CO 0.13 -0.24 -0.23 0.00 0.00 0.00 0.00 175.10 174.76 2ka9 s ALA 184 N -2.15 2.06 0.08 5.51 0.00 0.25 0.11 121.76 127.62 2ka9 s ALA 184 Ca 0.39 -0.96 -0.08 0.00 0.00 0.00 0.00 51.96 51.32 2ka9 s ALA 184 Cb -0.08 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 2ka9 s ALA 184 CO 0.28 0.34 0.36 0.21 0.00 0.00 0.00 175.76 176.95 2ka9 s LYS 185 N 0.08 3.67 0.00 0.00 2.47 0.11 -4.18 119.74 121.90 2ka9 s LYS 185 Ca -0.10 0.03 -0.02 0.00 -1.56 0.00 0.00 55.97 54.33 2ka9 s LYS 185 Cb -0.15 -2.98 -0.09 0.00 -1.46 0.00 0.00 37.83 33.15 2ka9 s LYS 185 CO 0.05 0.56 1.58 -2.30 0.16 0.00 0.00 175.35 175.40 2ka9 n PRO 186 N 0.74 0.74 0.00 4.03 -0.02 -1.26 -4.06 135.00 135.16 2ka9 n PRO 186 Ca -0.07 -0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.08 2ka9 n PRO 186 Cb 0.52 -1.62 0.00 0.00 -0.02 0.00 0.00 33.50 32.39 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2ka9 n SER 187 N 2.58 -0.77 -3.40 2.55 2.88 -1.25 -2.83 113.62 113.39 2ka9 n SER 187 Ca 0.14 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.35 2ka9 n SER 187 Cb 0.34 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.75 2ka9 n SER 187 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2ka9 n ASN 188 N -3.75 2.42 0.00 -3.46 6.94 -1.26 -3.83 115.26 112.31 2ka9 n ASN 188 Ca 0.00 -2.46 0.00 0.00 -0.02 0.00 0.00 54.58 52.10 2ka9 n ASN 188 Cb 0.00 -0.89 0.00 0.00 -2.36 0.00 0.00 39.78 36.53 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23