#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 2.96 0.11 0.03 2.56 -1.11 -4.96 118.70 118.30 2ka9 s GLU 2 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 54.97 54.24 2ka9 s GLU 2 Cb 0.00 -2.78 -0.00 0.00 2.00 0.00 0.00 34.13 33.35 2ka9 s GLU 2 CO 0.00 0.58 0.24 1.52 -0.56 0.00 0.00 175.26 177.04 2ka9 s TYR 3 N -1.37 0.19 -0.29 5.30 1.13 -1.26 0.04 117.35 121.09 2ka9 s TYR 3 Ca 0.29 -0.59 -0.29 0.00 -1.41 0.00 0.00 57.07 55.06 2ka9 s TYR 3 Cb -0.12 -0.03 0.19 0.00 -1.10 0.00 0.00 41.96 40.90 2ka9 s TYR 3 CO 0.21 -0.61 1.38 -1.83 -2.51 0.00 0.00 175.55 172.19 2ka9 s GLU 4 N -3.89 0.04 -0.23 -3.49 -1.05 -0.42 -4.99 118.70 104.68 2ka9 s GLU 4 Ca 0.08 0.01 -0.05 0.00 -0.15 0.00 0.00 54.97 54.86 2ka9 s GLU 4 Cb 0.04 0.02 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 2ka9 s GLU 4 CO -0.08 -0.01 0.01 -2.00 0.95 0.00 0.00 175.26 174.13 2ka9 s GLU 5 N -1.05 3.52 0.20 -4.83 2.12 -1.26 -1.72 118.70 115.68 2ka9 s GLU 5 Ca 0.09 -0.55 0.01 0.00 0.36 0.00 0.00 54.97 54.88 2ka9 s GLU 5 Cb -0.01 -3.14 -0.00 0.00 0.26 0.00 0.00 34.13 31.24 2ka9 s GLU 5 CO -0.08 -0.16 0.02 0.44 -0.54 0.00 0.00 175.26 174.94 2ka9 n ILE 6 N 4.74 0.00 -4.55 -3.70 -0.00 -0.23 -4.94 119.36 110.68 2ka9 n ILE 6 Ca -0.17 -1.02 -0.29 0.00 -0.00 0.00 0.00 62.75 61.26 2ka9 n ILE 6 Cb 0.51 0.25 -0.17 0.00 -0.00 0.00 0.00 39.64 40.24 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 -1.91 1.60 -0.42 7.28 -4.23 -1.26 -0.74 115.64 115.96 2ka9 s THR 7 Ca 0.03 -0.71 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 2ka9 s THR 7 Cb 0.00 -1.45 0.12 0.00 1.34 0.00 0.00 72.50 72.51 2ka9 s THR 7 CO 0.02 0.46 0.17 -0.22 -0.54 0.00 0.00 174.62 174.51 2ka9 s LEU 8 N 0.89 3.84 0.84 4.79 2.96 0.89 -4.92 118.68 127.96 2ka9 s LEU 8 Ca -0.08 -2.48 -0.11 0.00 -0.22 0.00 0.00 54.13 51.24 2ka9 s LEU 8 Cb -0.15 -1.41 0.09 0.00 0.50 0.00 0.00 46.19 45.23 2ka9 s LEU 8 CO -0.00 -0.31 1.10 -1.61 -1.32 0.00 0.00 176.35 174.20 2ka9 s GLU 9 N 0.47 1.73 -0.53 1.98 8.01 -1.26 -2.57 118.70 126.53 2ka9 s GLU 9 Ca 0.14 1.09 -0.28 0.00 0.01 0.00 0.00 54.97 55.93 2ka9 s GLU 9 Cb -0.22 -1.84 0.03 0.00 -4.31 0.00 0.00 34.13 27.79 2ka9 s GLU 9 CO -0.06 -1.99 1.14 1.03 0.01 0.00 0.00 175.26 175.39 2ka9 s ARG 10 N -4.88 3.60 -0.48 1.61 0.52 0.19 -4.53 118.95 114.98 2ka9 s ARG 10 Ca 0.63 0.35 -0.22 0.00 -0.52 0.00 0.00 55.73 55.97 2ka9 s ARG 10 Cb -0.18 -3.97 -0.21 0.00 0.52 0.00 0.00 34.95 31.11 2ka9 s ARG 10 CO 0.57 -1.52 1.77 0.41 0.02 0.00 0.00 175.30 176.55 2ka9 n GLY 11 N 4.97 1.90 5.75 -3.53 0.00 0.39 -4.57 105.19 110.11 2ka9 n GLY 11 Ca 0.10 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2ka9 n GLY 11 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ka9 n ASN 12 N 7.50 0.00 -1.50 1.61 2.85 -1.26 -3.92 115.26 120.53 2ka9 n ASN 12 Ca 0.45 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.81 2ka9 n ASN 12 Cb 0.36 0.00 0.18 0.00 1.24 0.00 0.00 39.78 41.56 2ka9 n ASN 12 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 2ka9 n SER 13 N 4.56 3.03 0.00 1.20 2.88 -1.26 -5.06 113.62 118.98 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 2ka9 n SER 13 Cb 0.00 -0.69 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ka9 n GLY 14 N -1.11 1.39 0.09 0.46 0.00 -1.25 -4.94 105.19 99.83 2ka9 n GLY 14 Ca 0.41 -2.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.22 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 0.10 -0.41 0.99 4.07 -1.89 1.14 115.31 119.31 2ka9 h LEU 15 Ca 0.00 -0.80 0.00 0.00 0.08 0.00 0.00 57.88 57.16 2ka9 h LEU 15 Cb 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.71 2ka9 h LEU 15 CO 0.00 1.30 0.00 0.61 -1.08 0.00 0.00 178.44 179.27 2ka9 n GLY 16 N 1.57 0.57 3.50 0.83 0.00 -1.26 0.11 105.19 110.52 2ka9 n GLY 16 Ca -0.20 -0.61 -0.16 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.83 -0.61 -0.19 1.61 -0.12 -1.26 -3.07 117.98 113.51 2ka9 s PHE 17 Ca 0.00 0.93 -0.15 0.00 -0.05 0.00 0.00 56.93 57.66 2ka9 s PHE 17 Cb 0.00 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 2ka9 s PHE 17 CO 0.00 -0.64 0.35 -1.12 -0.05 0.00 0.00 175.22 173.77 2ka9 s SER 18 N -1.51 6.41 0.15 1.98 0.01 0.26 -4.95 113.70 116.05 2ka9 s SER 18 Ca -0.08 0.48 0.04 0.00 1.31 0.00 0.00 55.95 57.70 2ka9 s SER 18 Cb -0.00 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.97 2ka9 s SER 18 CO 0.05 -0.02 -0.08 0.27 0.41 0.00 0.00 173.24 173.87 2ka9 s ILE 19 N 1.08 1.01 0.08 1.44 -4.36 -1.26 0.72 121.20 119.92 2ka9 s ILE 19 Ca 0.18 -2.03 -0.26 0.00 -0.26 0.00 0.00 60.65 58.28 2ka9 s ILE 19 Cb -0.14 -1.88 0.09 0.00 1.25 0.00 0.00 42.46 41.78 2ka9 s ILE 19 CO 0.07 -0.71 1.13 0.00 0.24 0.00 0.00 174.94 175.67 2ka9 s ALA 20 N -3.43 -1.94 0.00 2.27 0.00 -1.20 -4.94 121.76 112.53 2ka9 s ALA 20 Ca 0.17 0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2ka9 s ALA 20 Cb 0.04 0.62 0.00 0.00 0.00 0.00 0.00 23.12 23.78 2ka9 s ALA 20 CO 0.00 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.11 2ka9 n GLY 21 N -0.60 0.87 0.00 0.00 0.00 -1.25 -3.84 105.19 100.36 2ka9 n GLY 21 Ca -0.05 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.61 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 3.02 0.34 -0.02 0.00 -1.17 -4.00 105.19 103.36 2ka9 n GLY 22 Ca 0.00 -1.75 0.18 0.00 0.00 0.00 0.00 46.02 44.45 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 0.19 0.05 2.61 1.03 -0.67 -1.65 112.91 114.47 2ka9 h THR 23 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 2ka9 h THR 23 Cb 0.00 0.79 -0.04 0.00 -1.07 0.00 0.00 68.15 67.83 2ka9 h THR 23 CO 0.00 0.00 -1.89 -0.67 -0.01 0.00 0.00 175.52 172.95 2ka9 n ASP 24 N -3.31 2.00 -3.70 0.00 -0.08 -1.26 -4.70 116.55 105.50 2ka9 n ASP 24 Ca -0.00 0.25 -0.27 0.00 -1.51 0.00 0.00 54.79 53.26 2ka9 n ASP 24 Cb 0.32 -0.83 -0.11 0.00 2.34 0.00 0.00 41.12 42.84 2ka9 n ASP 24 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 2ka9 n ASN 25 N -3.87 2.53 -4.63 1.67 3.02 -0.82 -5.09 115.26 108.07 2ka9 n ASN 25 Ca -0.37 -3.11 -0.51 0.00 -0.03 0.00 0.00 54.58 50.56 2ka9 n ASN 25 Cb 0.90 -0.71 -0.06 0.00 -0.61 0.00 0.00 39.78 39.31 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 2ka9 n PRO 26 N 1.84 1.43 0.30 3.52 -0.02 -0.69 -3.04 135.00 138.34 2ka9 n PRO 26 Ca 0.23 0.52 0.19 0.00 -2.02 0.00 0.00 63.50 62.42 2ka9 n PRO 26 Cb 0.39 -2.20 0.87 0.00 -0.02 0.00 0.00 33.50 32.53 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 5.43 0.00 0.00 6.00 2.76 -1.80 -3.14 115.15 124.40 2ka9 h HIS 27 Ca -0.47 0.00 -0.11 0.00 -2.20 0.00 0.00 60.37 57.59 2ka9 h HIS 27 Cb 1.31 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 2ka9 h HIS 27 CO 0.64 0.01 -1.46 0.44 -1.30 0.00 0.00 177.93 176.26 2ka9 n ILE 28 N -3.10 0.42 -0.72 6.26 -5.35 -1.26 -4.93 119.36 110.68 2ka9 n ILE 28 Ca -0.01 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2ka9 n ILE 28 Cb 0.23 -0.70 0.00 0.00 -1.74 0.00 0.00 39.64 37.43 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 2.52 1.20 1.08 3.28 0.00 -1.19 -4.94 105.19 107.14 2ka9 n GLY 29 Ca -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 0.82 -0.64 -3.22 1.61 2.03 -1.26 -5.07 116.55 110.83 2ka9 n ASP 30 Ca 0.00 -1.27 0.04 0.00 0.52 0.00 0.00 54.79 54.08 2ka9 n ASP 30 Cb 0.16 0.22 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.59 -0.62 0.44 1.67 2.15 -1.26 -5.03 116.67 113.42 2ka9 s ASP 31 Ca 0.01 0.51 0.20 0.00 0.43 0.00 0.00 52.55 53.69 2ka9 s ASP 31 Cb 0.05 1.57 1.05 0.00 -0.30 0.00 0.00 42.92 45.29 2ka9 s ASP 31 CO -0.02 -0.12 1.94 -0.65 -0.17 0.00 0.00 175.17 176.16 2ka9 h PRO 32 N 7.85 0.00 -6.91 4.34 0.11 -1.88 -3.43 132.00 132.08 2ka9 h PRO 32 Ca -0.16 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.43 2ka9 h PRO 32 Cb 1.16 0.00 0.07 0.00 0.11 0.00 0.00 31.00 32.33 2ka9 h PRO 32 CO 0.01 0.24 0.59 0.45 -0.21 0.00 0.00 178.00 179.08 2ka9 s SER 33 N -6.58 6.58 0.28 -2.05 0.15 -1.24 -1.99 113.70 108.85 2ka9 s SER 33 Ca -0.03 2.59 -0.10 0.00 0.70 0.00 0.00 55.95 59.12 2ka9 s SER 33 Cb 0.14 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.74 2ka9 s SER 33 CO 0.66 -0.66 0.60 -0.63 1.20 0.00 0.00 173.24 174.42 2ka9 s ILE 34 N -1.24 4.89 0.08 6.45 1.09 -1.26 -4.64 121.20 126.58 2ka9 s ILE 34 Ca 0.53 0.48 -0.04 0.00 -1.10 0.00 0.00 60.65 60.52 2ka9 s ILE 34 Cb -0.37 -3.65 -0.03 0.00 -1.06 0.00 0.00 42.46 37.35 2ka9 s ILE 34 CO 0.48 -0.19 0.07 0.72 -0.10 0.00 0.00 174.94 175.92 2ka9 s PHE 35 N -1.96 0.44 0.16 3.97 -0.71 -1.25 -3.65 117.98 114.97 2ka9 s PHE 35 Ca 0.48 -0.92 -0.09 0.00 -1.04 0.00 0.00 56.93 55.36 2ka9 s PHE 35 Cb -0.11 -0.28 -0.06 0.00 -1.21 0.00 0.00 43.02 41.36 2ka9 s PHE 35 CO 0.23 -0.47 0.47 0.42 -1.34 0.00 0.00 175.22 174.54 2ka9 s ILE 36 N -3.92 5.01 -0.25 -4.49 1.01 0.22 -3.21 121.20 115.58 2ka9 s ILE 36 Ca 0.09 0.43 -0.02 0.00 0.00 0.00 0.00 60.65 61.15 2ka9 s ILE 36 Cb 0.07 -3.65 -0.17 0.00 0.01 0.00 0.00 42.46 38.72 2ka9 s ILE 36 CO -0.08 0.10 -0.18 0.35 0.00 0.00 0.00 174.94 175.12 2ka9 n THR 37 N 0.34 1.53 -3.56 2.92 -2.24 0.22 -2.10 114.28 111.39 2ka9 n THR 37 Ca -0.03 -0.54 -0.11 0.00 -2.27 0.00 0.00 64.05 61.10 2ka9 n THR 37 Cb 0.52 -1.54 -0.04 0.00 -2.10 0.00 0.00 70.33 67.17 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 -2.52 0.68 -0.08 -0.78 2.36 -1.24 -4.70 119.74 113.46 2ka9 s LYS 38 Ca -0.34 0.05 -0.03 0.00 -2.55 0.00 0.00 55.97 53.09 2ka9 s LYS 38 Cb 0.10 0.32 -0.04 0.00 -1.05 0.00 0.00 37.83 37.16 2ka9 s LYS 38 CO 0.60 -0.24 0.06 0.42 1.55 0.00 0.00 175.35 177.74 2ka9 s ILE 39 N -1.61 4.75 -0.23 5.43 1.01 -1.26 0.91 121.20 130.20 2ka9 s ILE 39 Ca -0.01 -0.14 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 2ka9 s ILE 39 Cb -0.01 -3.05 -0.01 0.00 0.01 0.00 0.00 42.46 39.40 2ka9 s ILE 39 CO -0.00 0.56 0.77 0.27 0.00 0.00 0.00 174.94 176.54 2ka9 s ILE 40 N -0.99 4.89 -0.94 2.92 -4.36 -1.17 -4.95 121.20 116.59 2ka9 s ILE 40 Ca 0.16 1.46 -0.25 0.00 -0.26 0.00 0.00 60.65 61.76 2ka9 s ILE 40 Cb -0.12 -4.07 -0.20 0.00 1.25 0.00 0.00 42.46 39.32 2ka9 s ILE 40 CO 0.05 -0.02 2.16 -2.65 0.24 0.00 0.00 174.94 174.72 2ka9 n PRO 41 N 5.72 0.23 0.00 0.37 -0.02 -1.26 -2.79 135.00 137.25 2ka9 n PRO 41 Ca 0.04 -1.32 0.00 0.00 -2.02 0.00 0.00 63.50 60.20 2ka9 n PRO 41 Cb 0.48 -3.66 0.00 0.00 -0.02 0.00 0.00 33.50 30.30 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 6.25 -0.43 3.39 -1.23 0.00 -1.26 -5.13 105.19 106.79 2ka9 n GLY 42 Ca 0.42 0.22 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 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 0.00 -2.34 0.22 -0.02 0.00 -1.12 -4.82 105.19 97.12 2ka9 n GLY 43 Ca 0.00 -1.14 0.15 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.66 1.00 0.68 4.61 0.00 0.60 -3.02 119.26 120.47 2ka9 h ALA 44 Ca -0.60 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.27 2ka9 h ALA 44 Cb 1.34 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.14 2ka9 h ALA 44 CO 0.46 0.00 -0.33 0.00 0.00 0.00 0.00 179.25 179.38 2ka9 h ALA 45 N 2.10 -0.91 0.00 0.00 0.00 0.55 0.75 119.26 121.74 2ka9 h ALA 45 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2ka9 h ALA 45 Cb 0.40 0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 2ka9 h ALA 45 CO 0.00 -0.96 -0.31 0.00 0.00 0.00 0.00 179.25 177.98 2ka9 h ALA 46 N -0.76 1.39 -0.18 0.00 0.00 -1.73 0.83 119.26 118.80 2ka9 h ALA 46 Ca -0.09 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 2ka9 h ALA 46 Cb 0.73 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ka9 h ALA 46 CO 0.15 0.38 -0.66 0.37 0.00 0.00 0.00 179.25 179.50 2ka9 h GLN 47 N 0.00 0.69 0.01 0.00 4.15 -1.39 -3.04 115.11 115.53 2ka9 h GLN 47 Ca -0.00 -0.49 -0.21 0.00 0.77 0.00 0.00 58.65 58.71 2ka9 h GLN 47 Cb 0.58 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.33 2ka9 h GLN 47 CO 0.04 1.11 -0.98 -0.44 -1.93 0.00 0.00 178.83 176.63 2ka9 h ASP 48 N 0.50 0.05 -5.07 -0.69 5.19 0.11 -3.47 116.42 113.04 2ka9 h ASP 48 Ca -0.02 -0.05 -0.11 0.00 -0.62 0.00 0.00 57.03 56.23 2ka9 h ASP 48 Cb 1.25 -0.02 -0.04 0.00 0.18 0.00 0.00 39.33 40.70 2ka9 h ASP 48 CO 0.13 1.00 -0.17 0.61 -3.12 0.00 0.00 179.24 177.69 2ka9 n GLY 49 N 1.25 -0.03 1.33 2.75 0.00 0.28 -4.71 105.19 106.06 2ka9 n GLY 49 Ca -0.01 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.09 2ka9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka9 n ARG 50 N -1.55 3.34 -3.61 1.61 1.74 -1.26 -4.93 116.66 111.99 2ka9 n ARG 50 Ca -0.04 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.07 2ka9 n ARG 50 Cb 0.12 -1.92 -0.01 0.00 -1.02 0.00 0.00 32.46 29.63 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2ka9 s LEU 51 N -1.67 -0.07 0.23 0.55 2.34 -1.26 -4.90 118.68 113.90 2ka9 s LEU 51 Ca 0.34 -0.09 -0.04 0.00 0.06 0.00 0.00 54.13 54.41 2ka9 s LEU 51 Cb 0.25 1.33 -0.05 0.00 -0.56 0.00 0.00 46.19 47.16 2ka9 s LEU 51 CO 0.11 -0.24 0.47 -0.13 -1.06 0.00 0.00 176.35 175.50 2ka9 s ARG 52 N -2.37 3.60 0.02 1.48 1.81 -1.26 -5.03 118.95 117.21 2ka9 s ARG 52 Ca 0.13 -0.11 -0.21 0.00 -1.72 0.00 0.00 55.73 53.82 2ka9 s ARG 52 Cb 0.04 -2.74 -0.16 0.00 -0.45 0.00 0.00 34.95 31.63 2ka9 s ARG 52 CO -0.04 0.32 1.28 -0.39 -0.68 0.00 0.00 175.30 175.79 2ka9 h VAL 53 N 1.57 1.38 0.00 3.52 -1.51 -1.90 -3.13 116.25 116.18 2ka9 h VAL 53 Ca -0.47 -1.43 0.00 0.00 -1.23 0.00 0.00 66.70 63.56 2ka9 h VAL 53 Cb 1.18 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.40 2ka9 h VAL 53 CO 0.68 0.41 0.00 -0.46 -1.23 0.00 0.00 177.57 176.97 2ka9 n ASN 54 N -4.54 0.35 -2.22 4.19 0.23 -0.89 0.73 115.26 113.11 2ka9 n ASN 54 Ca -0.07 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.70 2ka9 n ASN 54 Cb 0.40 -0.18 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 2ka9 n ASN 54 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 2ka9 n ASP 55 N -0.12 0.00 -3.70 0.53 5.75 -1.18 -4.88 116.55 112.94 2ka9 n ASP 55 Ca 0.00 -0.77 -0.29 0.00 -0.01 0.00 0.00 54.79 53.73 2ka9 n ASP 55 Cb 0.09 0.00 -0.16 0.00 -1.03 0.00 0.00 41.12 40.02 2ka9 n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2ka9 s SER 56 N -1.00 3.41 -0.64 -1.12 0.01 -0.80 -4.34 113.70 109.22 2ka9 s SER 56 Ca 0.00 -1.19 -0.26 0.00 1.31 0.00 0.00 55.95 55.81 2ka9 s SER 56 Cb 0.00 -0.65 -0.11 0.00 0.21 0.00 0.00 66.02 65.47 2ka9 s SER 56 CO 0.00 -0.37 2.42 2.30 0.41 0.00 0.00 173.24 178.00 2ka9 n ILE 57 N 5.01 -0.05 0.12 1.44 -5.35 -1.24 -1.14 119.36 118.15 2ka9 n ILE 57 Ca -0.06 -0.65 0.04 0.00 -0.27 0.00 0.00 62.75 61.81 2ka9 n ILE 57 Cb 0.44 -2.38 0.47 0.00 -1.74 0.00 0.00 39.64 36.43 2ka9 n ILE 57 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 2ka9 h LEU 58 N 20.92 0.25 -7.08 7.28 3.38 0.46 -3.31 115.31 137.21 2ka9 h LEU 58 Ca -0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2ka9 h LEU 58 Cb 1.14 -0.06 -0.12 0.00 0.09 0.00 0.00 40.66 41.71 2ka9 h LEU 58 CO 1.09 0.27 0.25 -0.36 0.09 0.00 0.00 178.44 179.78 2ka9 s PHE 59 N -5.07 -0.49 -0.18 1.13 0.08 0.93 -3.77 117.98 110.62 2ka9 s PHE 59 Ca -0.06 0.27 -0.12 0.00 0.12 0.00 0.00 56.93 57.13 2ka9 s PHE 59 Cb 0.16 0.57 0.05 0.00 -0.57 0.00 0.00 43.02 43.24 2ka9 s PHE 59 CO 0.72 -0.84 0.45 0.08 -0.10 0.00 0.00 175.22 175.52 2ka9 s VAL 60 N -3.68 -0.01 -1.31 -0.44 1.01 -0.77 0.16 120.40 115.36 2ka9 s VAL 60 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 2ka9 s VAL 60 Cb -0.01 -0.65 0.10 0.00 0.00 0.00 0.00 36.38 35.82 2ka9 s VAL 60 CO -0.11 0.02 0.52 -3.20 0.00 0.00 0.00 175.10 172.33 2ka9 n ASN 61 N 3.69 -3.31 -1.70 3.32 4.05 0.38 0.12 115.26 121.80 2ka9 n ASN 61 Ca -0.19 -0.50 -0.15 0.00 0.45 0.00 0.00 54.58 54.19 2ka9 n ASN 61 Cb 0.56 -2.76 -0.01 0.00 1.23 0.00 0.00 39.78 38.80 2ka9 n ASN 61 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2ka9 n GLU 62 N -3.78 -1.20 -5.10 1.20 4.71 -1.26 -5.00 120.64 110.20 2ka9 n GLU 62 Ca 0.01 0.76 -0.30 0.00 -0.01 0.00 0.00 57.16 57.62 2ka9 n GLU 62 Cb 0.52 -5.09 -0.15 0.00 -1.01 0.00 0.00 31.44 25.71 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2ka9 s VAL 63 N -2.75 2.01 -0.91 2.62 1.01 0.32 -5.07 120.40 117.64 2ka9 s VAL 63 Ca 0.00 -1.18 -0.24 0.00 0.00 0.00 0.00 61.98 60.56 2ka9 s VAL 63 Cb 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2ka9 s VAL 63 CO 0.00 0.47 1.74 1.51 0.00 0.00 0.00 175.10 178.82 2ka9 s ASP 64 N -0.84 5.66 -0.33 3.32 -4.77 -1.26 -1.84 116.67 116.61 2ka9 s ASP 64 Ca 0.10 -0.84 0.07 0.00 -3.30 0.00 0.00 52.55 48.58 2ka9 s ASP 64 Cb -0.10 -2.56 0.48 0.00 -1.09 0.00 0.00 42.92 39.65 2ka9 s ASP 64 CO 0.00 -2.25 1.42 0.52 0.70 0.00 0.00 175.17 175.56 2ka9 n VAL 65 N 7.41 2.65 -0.42 2.11 0.31 -1.26 -4.59 118.33 124.54 2ka9 n VAL 65 Ca 0.34 -3.31 0.11 0.00 -0.01 0.00 0.00 64.34 61.47 2ka9 n VAL 65 Cb 0.49 -0.68 0.34 0.00 -0.91 0.00 0.00 33.84 33.08 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 -0.97 3.00 -1.72 5.55 1.85 -1.25 -4.43 116.66 118.70 2ka9 n ARG 66 Ca 0.39 -2.72 -0.00 0.00 -1.00 0.00 0.00 57.85 54.51 2ka9 n ARG 66 Cb 0.93 -1.67 0.02 0.00 -1.05 0.00 0.00 32.46 30.69 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 1.52 0.18 -4.50 2.89 0.00 -1.26 -3.61 120.64 115.87 2ka9 n GLU 67 Ca 0.25 -0.19 -0.29 0.00 0.00 0.00 0.00 57.16 56.93 2ka9 n GLU 67 Cb 0.70 0.05 -0.13 0.00 0.00 0.00 0.00 31.44 32.06 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.13 177.27 2ka9 s VAL 68 N 0.02 2.33 0.84 3.84 -7.23 -1.26 -4.60 120.40 114.34 2ka9 s VAL 68 Ca 0.01 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.41 2ka9 s VAL 68 Cb 0.06 -2.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 2ka9 s VAL 68 CO -0.02 0.16 0.29 0.41 -0.31 0.00 0.00 175.10 175.64 2ka9 n THR 69 N 1.10 0.78 -0.11 5.32 -1.04 -1.26 -1.65 114.28 117.42 2ka9 n THR 69 Ca -0.17 -0.33 -0.05 0.00 -2.04 0.00 0.00 64.05 61.45 2ka9 n THR 69 Cb 0.53 -0.57 0.02 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.91 0.04 -0.58 -1.42 2.76 -1.84 -1.21 115.15 111.98 2ka9 h HIS 70 Ca -0.44 0.03 0.06 0.00 -2.20 0.00 0.00 60.37 57.82 2ka9 h HIS 70 Cb 1.32 0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.29 2ka9 h HIS 70 CO 0.34 -0.04 0.38 0.77 -1.30 0.00 0.00 177.93 178.09 2ka9 h SER 71 N 0.14 0.46 -0.29 3.26 0.02 -1.90 0.07 113.55 115.31 2ka9 h SER 71 Ca 0.18 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 61.02 2ka9 h SER 71 Cb 0.24 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2ka9 h SER 71 CO -0.28 0.30 -0.23 0.00 -1.14 0.00 0.00 176.83 175.49 2ka9 h ALA 72 N 1.69 0.88 -0.18 3.77 0.00 -1.56 0.18 119.26 124.04 2ka9 h ALA 72 Ca 0.25 -0.37 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 2ka9 h ALA 72 Cb 0.31 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2ka9 h ALA 72 CO -0.07 0.63 -0.47 0.00 0.00 0.00 0.00 179.25 179.34 2ka9 h ALA 73 N 1.07 0.31 -0.41 0.00 0.00 -0.71 -1.31 119.26 118.20 2ka9 h ALA 73 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2ka9 h ALA 73 Cb 0.74 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2ka9 h ALA 73 CO 0.06 0.46 -0.05 0.28 0.00 0.00 0.00 179.25 180.00 2ka9 h VAL 74 N 0.32 1.24 -0.10 0.00 2.07 -0.92 -1.80 116.25 117.07 2ka9 h VAL 74 Ca -0.01 -1.00 -0.11 0.00 0.82 0.00 0.00 66.70 66.40 2ka9 h VAL 74 Cb 1.08 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2ka9 h VAL 74 CO 0.10 0.35 -0.44 -0.33 0.02 0.00 0.00 177.57 177.27 2ka9 h GLU 75 N 0.64 0.23 -0.30 1.57 5.08 -0.53 0.56 114.58 121.83 2ka9 h GLU 75 Ca 0.12 -0.11 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 2ka9 h GLU 75 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2ka9 h GLU 75 CO 0.02 0.62 -0.25 0.00 -1.00 0.00 0.00 179.01 178.41 2ka9 h ALA 76 N 1.36 0.44 0.00 3.43 0.00 -0.67 0.22 119.26 124.04 2ka9 h ALA 76 Ca 0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 2ka9 h ALA 76 Cb 0.85 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ka9 h ALA 76 CO 0.07 0.42 -0.63 1.37 0.00 0.00 0.00 179.25 180.47 2ka9 h LEU 77 N 0.45 0.00 -0.30 0.00 8.10 -1.23 -1.50 115.31 120.83 2ka9 h LEU 77 Ca 0.05 0.00 -0.20 0.00 0.11 0.00 0.00 57.88 57.85 2ka9 h LEU 77 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.03 2ka9 h LEU 77 CO 0.06 0.63 -0.71 0.50 -4.11 0.00 0.00 178.44 174.82 2ka9 h LYS 78 N 0.00 0.64 -0.71 0.17 3.64 0.31 -3.06 116.57 117.56 2ka9 h LYS 78 Ca -0.01 -0.49 -0.28 0.00 -1.27 0.00 0.00 60.65 58.60 2ka9 h LYS 78 Cb 1.39 0.09 -0.17 0.00 -0.41 0.00 0.00 32.23 33.14 2ka9 h LYS 78 CO 0.08 1.11 0.30 0.39 -2.27 0.00 0.00 179.45 179.07 2ka9 n GLU 79 N -3.91 2.94 -0.00 1.90 -0.58 0.76 -4.23 120.64 117.51 2ka9 n GLU 79 Ca -0.05 -3.07 0.08 0.00 -0.42 0.00 0.00 57.16 53.70 2ka9 n GLU 79 Cb 0.70 -2.11 -0.11 0.00 -0.57 0.00 0.00 31.44 29.35 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ka9 n ALA 80 N -0.63 3.71 0.00 0.62 0.00 -0.57 -4.97 120.51 118.68 2ka9 n ALA 80 Ca 0.44 -0.47 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ka9 n ALA 80 Cb 1.37 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 20.20 2ka9 n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ka9 n GLY 81 N 1.44 -1.31 1.93 0.00 0.00 -1.26 -4.28 105.19 101.71 2ka9 n GLY 81 Ca 0.01 -1.71 0.04 0.00 0.00 0.00 0.00 46.02 44.36 2ka9 n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ka9 n SER 82 N 0.10 5.55 -3.25 1.61 3.41 -1.26 -4.71 113.62 115.06 2ka9 n SER 82 Ca 0.00 -3.01 -0.05 0.00 -0.26 0.00 0.00 58.87 55.55 2ka9 n SER 82 Cb 0.00 -0.70 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 83 N -2.84 -0.76 -0.09 -1.33 1.01 -1.26 0.55 121.20 116.48 2ka9 s ILE 83 Ca 0.55 -0.27 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 2ka9 s ILE 83 Cb 0.43 -0.68 -0.04 0.00 0.01 0.00 0.00 42.46 42.18 2ka9 s ILE 83 CO 0.15 -0.20 0.05 -0.69 0.00 0.00 0.00 174.94 174.25 2ka9 s VAL 84 N 2.24 4.68 -0.71 2.92 1.01 -1.06 -4.90 120.40 124.58 2ka9 s VAL 84 Ca 0.13 -0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.82 2ka9 s VAL 84 Cb -0.10 -3.00 0.15 0.00 0.00 0.00 0.00 36.38 33.43 2ka9 s VAL 84 CO -0.19 0.60 0.74 -0.13 0.00 0.00 0.00 175.10 176.13 2ka9 s ARG 85 N -0.95 3.30 -0.22 2.72 0.52 -1.26 -0.08 118.95 122.98 2ka9 s ARG 85 Ca 0.14 -1.85 -0.16 0.00 -0.52 0.00 0.00 55.73 53.34 2ka9 s ARG 85 Cb -0.12 -4.42 -0.04 0.00 0.52 0.00 0.00 34.95 30.90 2ka9 s ARG 85 CO 0.03 -1.45 0.43 -0.51 0.02 0.00 0.00 175.30 173.83 2ka9 s LEU 86 N 1.61 4.13 -0.33 2.53 1.02 0.08 -0.47 118.68 127.25 2ka9 s LEU 86 Ca 0.15 0.52 -0.10 0.00 0.02 0.00 0.00 54.13 54.71 2ka9 s LEU 86 Cb -0.18 -2.56 -0.00 0.00 0.02 0.00 0.00 46.19 43.47 2ka9 s LEU 86 CO -0.02 -0.13 0.17 -0.47 0.02 0.00 0.00 176.35 175.92 2ka9 s TYR 87 N 1.58 3.20 0.33 0.29 6.14 0.42 -1.07 117.35 128.23 2ka9 s TYR 87 Ca 0.20 -0.62 0.05 0.00 0.64 0.00 0.00 57.07 57.33 2ka9 s TYR 87 Cb -0.15 -2.38 -0.06 0.00 0.42 0.00 0.00 41.96 39.78 2ka9 s TYR 87 CO 0.09 -0.49 0.02 0.14 0.64 0.00 0.00 175.55 175.95 2ka9 s VAL 88 N 1.61 1.46 -0.20 3.14 -7.23 -0.70 0.11 120.40 118.59 2ka9 s VAL 88 Ca 0.04 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.14 2ka9 s VAL 88 Cb -0.18 -2.74 0.08 0.00 0.56 0.00 0.00 36.38 34.11 2ka9 s VAL 88 CO 0.07 -0.08 0.15 0.00 -0.31 0.00 0.00 175.10 174.93 2ka9 s MET 89 N -3.82 0.13 -0.39 4.82 0.23 -0.30 -1.30 119.30 118.68 2ka9 s MET 89 Ca 0.34 0.00 -0.09 0.00 -1.03 0.00 0.00 55.69 54.92 2ka9 s MET 89 Cb 0.08 -1.49 0.06 0.00 -1.53 0.00 0.00 34.83 31.95 2ka9 s MET 89 CO 0.15 -0.70 0.21 -0.98 -2.03 0.00 0.00 175.02 171.67 2ka9 s ARG 90 N 2.22 2.63 -0.08 3.16 1.70 0.11 -1.90 118.95 126.79 2ka9 s ARG 90 Ca 0.05 -1.33 -0.30 0.00 -0.47 0.00 0.00 55.73 53.68 2ka9 s ARG 90 Cb -0.16 -3.68 -0.02 0.00 -0.57 0.00 0.00 34.95 30.51 2ka9 s ARG 90 CO -0.13 -0.84 1.14 1.03 -1.08 0.00 0.00 175.30 175.42 2ka9 s ARG 91 N 1.43 4.36 -0.42 3.89 0.52 -1.26 -2.77 118.95 124.71 2ka9 s ARG 91 Ca 0.02 1.58 0.07 0.00 -0.52 0.00 0.00 55.73 56.88 2ka9 s ARG 91 Cb -0.21 -3.57 0.43 0.00 0.52 0.00 0.00 34.95 32.12 2ka9 s ARG 91 CO 0.03 -0.43 1.09 1.63 0.02 0.00 0.00 175.30 177.64 2ka9 n LYS 92 N 5.26 3.11 -0.33 3.54 4.76 -1.26 -4.92 118.16 128.32 2ka9 n LYS 92 Ca 0.10 -4.32 0.21 0.00 -2.87 0.00 0.00 58.31 51.44 2ka9 n LYS 92 Cb 0.47 -2.11 0.42 0.00 -1.84 0.00 0.00 35.03 31.97 2ka9 n LYS 92 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2ka9 h PRO 93 N 2.63 0.07 0.00 1.97 0.10 -2.00 -3.41 132.00 131.36 2ka9 h PRO 93 Ca 0.24 -0.00 -0.06 0.00 0.10 0.00 0.00 66.00 66.28 2ka9 h PRO 93 Cb 0.97 -0.02 0.03 0.00 0.10 0.00 0.00 31.00 32.09 2ka9 h PRO 93 CO 0.80 0.05 0.04 -2.30 0.10 0.00 0.00 178.00 176.68 2ka9 n PRO 94 N -5.32 -0.80 0.00 1.05 -0.02 -1.26 -4.42 135.00 124.24 2ka9 n PRO 94 Ca 0.29 -0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 2ka9 n PRO 94 Cb 0.96 -0.22 0.00 0.00 -0.02 0.00 0.00 33.50 34.22 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 -3.21 0.00 -1.89 3.55 0.00 -1.26 -4.37 120.51 113.34 2ka9 n ALA 95 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 2ka9 n ALA 95 Cb 0.09 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.57 2ka9 n ALA 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ka9 s GLU 96 N 0.00 3.15 -0.04 0.00 2.12 -1.26 -4.36 118.70 118.31 2ka9 s GLU 96 Ca 0.00 0.56 -0.30 0.00 0.36 0.00 0.00 54.97 55.59 2ka9 s GLU 96 Cb 0.00 -2.05 0.11 0.00 0.26 0.00 0.00 34.13 32.45 2ka9 s GLU 96 CO 0.00 -0.84 1.32 0.15 -0.54 0.00 0.00 175.26 175.35 2ka9 s LYS 97 N -5.28 0.27 0.18 4.30 1.02 -1.21 -4.95 119.74 114.08 2ka9 s LYS 97 Ca 0.57 -0.17 0.11 0.00 0.02 0.00 0.00 55.97 56.49 2ka9 s LYS 97 Cb -0.11 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.24 2ka9 s LYS 97 CO 0.52 -0.13 -0.20 0.08 -0.92 0.00 0.00 175.35 174.71 2ka9 s VAL 98 N -2.10 2.60 0.19 3.17 1.01 -1.26 0.66 120.40 124.66 2ka9 s VAL 98 Ca 0.24 -1.89 0.01 0.00 0.00 0.00 0.00 61.98 60.34 2ka9 s VAL 98 Cb 0.02 -2.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.11 2ka9 s VAL 98 CO -0.03 -0.09 0.05 -0.32 0.00 0.00 0.00 175.10 174.71 2ka9 s MET 99 N -2.65 1.15 -0.23 2.72 1.75 0.15 -4.89 119.30 117.31 2ka9 s MET 99 Ca 0.21 -1.58 -0.03 0.00 -1.25 0.00 0.00 55.69 53.05 2ka9 s MET 99 Cb -0.08 -0.09 0.07 0.00 2.84 0.00 0.00 34.83 37.57 2ka9 s MET 99 CO 0.11 -0.23 0.07 -2.00 -0.65 0.00 0.00 175.02 172.32 2ka9 s GLU 100 N -4.00 0.51 0.19 4.11 2.12 -1.26 -1.05 118.70 119.32 2ka9 s GLU 100 Ca 0.29 -0.53 0.08 0.00 0.36 0.00 0.00 54.97 55.18 2ka9 s GLU 100 Cb 0.07 -1.89 -0.04 0.00 0.26 0.00 0.00 34.13 32.53 2ka9 s GLU 100 CO 0.07 -0.78 -0.05 0.42 -0.54 0.00 0.00 175.26 174.37 2ka9 s ILE 101 N 1.89 3.38 -0.13 -3.70 -1.09 0.70 -4.96 121.20 117.29 2ka9 s ILE 101 Ca 0.03 -1.63 0.02 0.00 -2.23 0.00 0.00 60.65 56.85 2ka9 s ILE 101 Cb -0.17 -2.70 0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2ka9 s ILE 101 CO -0.17 -0.15 -0.18 -0.75 -1.23 0.00 0.00 174.94 172.47 2ka9 s LYS 102 N -2.98 2.57 -0.15 2.79 2.20 -1.26 0.12 119.74 123.03 2ka9 s LYS 102 Ca 0.27 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.19 2ka9 s LYS 102 Cb -0.09 -2.14 0.03 0.00 -1.51 0.00 0.00 37.83 34.12 2ka9 s LYS 102 CO 0.17 -0.06 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.82 2ka9 s LEU 103 N 0.95 1.60 0.05 5.43 0.20 0.11 -3.54 118.68 123.48 2ka9 s LEU 103 Ca -0.06 -0.50 -0.09 0.00 0.69 0.00 0.00 54.13 54.18 2ka9 s LEU 103 Cb -0.15 -1.06 -0.05 0.00 -0.43 0.00 0.00 46.19 44.50 2ka9 s LEU 103 CO -0.03 -0.10 0.35 0.27 -0.29 0.00 0.00 176.35 176.56 2ka9 s ILE 104 N 1.56 5.17 0.91 6.68 -4.36 -1.26 -2.15 121.20 127.75 2ka9 s ILE 104 Ca 0.04 0.36 -0.10 0.00 -0.26 0.00 0.00 60.65 60.68 2ka9 s ILE 104 Cb -0.13 -3.62 0.14 0.00 1.25 0.00 0.00 42.46 40.10 2ka9 s ILE 104 CO -0.09 0.33 1.13 -0.75 0.24 0.00 0.00 174.94 175.79 2ka9 s LYS 105 N -1.82 1.08 0.00 0.37 2.20 0.24 -4.71 119.74 117.11 2ka9 s LYS 105 Ca 0.31 1.42 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 2ka9 s LYS 105 Cb -0.14 -1.74 0.00 0.00 -1.51 0.00 0.00 37.83 34.44 2ka9 s LYS 105 CO 0.17 -2.54 0.00 0.41 -0.36 0.00 0.00 175.35 173.03 2ka9 n GLY 106 N -0.02 5.08 0.17 5.54 0.00 0.52 -4.96 105.19 111.52 2ka9 n GLY 106 Ca 0.11 -1.36 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 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 0.57 -0.80 1.61 0.13 -1.97 -3.21 132.00 128.33 2ka9 h PRO 107 Ca 0.00 -0.72 -0.05 0.00 -0.87 0.00 0.00 66.00 64.36 2ka9 h PRO 107 Cb 0.00 0.23 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 2ka9 h PRO 107 CO 0.00 1.31 0.07 1.63 -0.23 0.00 0.00 178.00 180.77 2ka9 n LYS 108 N -3.92 3.04 0.00 0.86 5.02 -1.26 -5.01 118.16 116.89 2ka9 n LYS 108 Ca -0.13 -1.85 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 2ka9 n LYS 108 Cb 0.89 -1.91 0.00 0.00 -0.02 0.00 0.00 35.03 33.99 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 0.22 0.83 0.10 0.72 0.00 -1.21 -4.34 105.19 101.51 2ka9 n GLY 109 Ca 0.20 -1.51 -0.02 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.83 0.99 4.07 -1.88 1.53 115.31 119.19 2ka9 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ka9 h LEU 110 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 110 CO 0.00 0.71 0.00 0.61 -1.08 0.00 0.00 178.44 178.68 2ka9 n GLY 111 N 1.39 0.72 3.63 0.83 0.00 -1.26 -3.49 105.19 107.01 2ka9 n GLY 111 Ca -0.07 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.33 -0.12 -0.28 1.61 -0.71 -1.26 -3.41 117.98 111.48 2ka9 s PHE 112 Ca 0.00 0.24 -0.08 0.00 -1.04 0.00 0.00 56.93 56.05 2ka9 s PHE 112 Cb 0.00 0.48 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 2ka9 s PHE 112 CO 0.00 -0.09 0.09 -1.12 -1.34 0.00 0.00 175.22 172.76 2ka9 s SER 113 N -0.66 5.20 0.23 1.98 0.01 0.36 -4.98 113.70 115.85 2ka9 s SER 113 Ca 0.06 -0.47 0.05 0.00 1.31 0.00 0.00 55.95 56.90 2ka9 s SER 113 Cb -0.02 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 64.23 2ka9 s SER 113 CO -0.09 -0.13 -0.04 0.27 0.41 0.00 0.00 173.24 173.66 2ka9 s ILE 114 N 1.57 1.26 -0.29 1.44 -4.36 -1.26 0.13 121.20 119.68 2ka9 s ILE 114 Ca 0.05 -2.07 -0.14 0.00 -0.26 0.00 0.00 60.65 58.23 2ka9 s ILE 114 Cb -0.16 -2.26 0.12 0.00 1.25 0.00 0.00 42.46 41.40 2ka9 s ILE 114 CO 0.04 -0.41 0.74 0.00 0.24 0.00 0.00 174.94 175.55 2ka9 s ALA 115 N -3.27 -2.09 0.30 2.27 0.00 -0.63 -4.90 121.76 113.43 2ka9 s ALA 115 Ca 0.26 2.33 -0.13 0.00 0.00 0.00 0.00 51.96 54.42 2ka9 s ALA 115 Cb 0.04 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.50 2ka9 s ALA 115 CO 0.08 -0.66 0.60 0.20 0.00 0.00 0.00 175.76 175.98 2ka9 s GLY 116 N 2.19 0.54 0.00 0.00 0.00 -1.26 -2.72 107.32 106.07 2ka9 s GLY 116 Ca -0.07 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2ka9 s GLY 116 CO -0.19 -0.51 0.00 0.61 0.00 0.00 0.00 173.10 173.01 2ka9 n GLY 117 N -0.46 2.57 3.90 0.20 0.00 0.27 -3.38 105.19 108.28 2ka9 n GLY 117 Ca -0.03 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.93 5.02 0.00 1.61 1.01 -1.26 -3.64 120.40 121.20 2ka9 s VAL 118 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 2ka9 s VAL 118 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.64 2ka9 s VAL 118 CO 0.00 -0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.37 2ka9 n GLY 119 N -0.98 0.52 0.00 4.51 0.00 -1.26 -3.53 105.19 104.46 2ka9 n GLY 119 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2ka9 n GLY 119 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2ka9 n ASN 120 N -0.15 0.00 -4.65 1.61 5.03 -1.26 -4.94 115.26 110.91 2ka9 n ASN 120 Ca 0.00 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.06 2ka9 n ASN 120 Cb 0.07 0.00 -0.08 0.00 -1.02 0.00 0.00 39.78 38.76 2ka9 n ASN 120 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2ka9 s GLN 121 N 0.00 4.13 0.55 3.52 1.11 -1.24 -4.42 119.66 123.31 2ka9 s GLN 121 Ca 0.00 0.26 0.35 0.00 0.01 0.00 0.00 55.36 55.98 2ka9 s GLN 121 Cb 0.00 -3.59 1.50 0.00 -1.01 0.00 0.00 33.01 29.92 2ka9 s GLN 121 CO 0.00 -0.17 1.78 1.25 0.01 0.00 0.00 175.29 178.16 2ka9 h HIS 122 N 7.65 0.00 -2.97 0.91 -0.00 -1.82 -3.39 115.15 115.52 2ka9 h HIS 122 Ca -0.33 0.00 -0.61 0.00 -0.00 0.00 0.00 60.37 59.43 2ka9 h HIS 122 Cb 1.16 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.52 2ka9 h HIS 122 CO 0.71 0.00 -0.38 0.42 -0.00 0.00 0.00 177.93 178.68 2ka9 s ILE 123 N -4.87 5.27 -0.45 6.26 1.01 -1.26 -4.98 121.20 122.18 2ka9 s ILE 123 Ca -0.05 0.08 -0.28 0.00 0.00 0.00 0.00 60.65 60.40 2ka9 s ILE 123 Cb 0.21 -3.59 -0.29 0.00 0.01 0.00 0.00 42.46 38.81 2ka9 s ILE 123 CO 0.75 0.26 1.78 -2.65 0.00 0.00 0.00 174.94 175.08 2ka9 n PRO 124 N 0.77 0.45 -0.31 2.79 -0.02 -1.26 -3.32 135.00 134.10 2ka9 n PRO 124 Ca -0.08 -1.42 0.00 0.00 -2.02 0.00 0.00 63.50 59.98 2ka9 n PRO 124 Cb 0.52 -2.95 0.00 0.00 -0.02 0.00 0.00 33.50 31.05 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 5.17 0.87 2.87 -1.23 0.00 -1.26 -5.11 105.19 106.50 2ka9 n GLY 125 Ca 0.46 -0.70 0.02 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.18 -0.57 0.63 1.61 1.01 -1.21 -5.01 116.67 110.95 2ka9 s ASP 126 Ca 0.00 -0.27 0.32 0.00 0.71 0.00 0.00 52.55 53.31 2ka9 s ASP 126 Cb 0.00 0.75 1.78 0.00 1.01 0.00 0.00 42.92 46.46 2ka9 s ASP 126 CO 0.00 -0.06 2.07 -0.55 0.21 0.00 0.00 175.17 176.84 2ka9 h ASN 127 N 5.81 0.00 -1.54 0.27 -1.07 -1.89 -3.40 115.58 113.76 2ka9 h ASN 127 Ca -0.02 0.00 -0.73 0.00 0.07 0.00 0.00 56.30 55.62 2ka9 h ASN 127 Cb 1.22 0.00 0.03 0.00 -2.07 0.00 0.00 38.32 37.50 2ka9 h ASN 127 CO -0.04 0.00 0.75 -1.20 0.07 0.00 0.00 177.43 177.01 2ka9 n SER 128 N -3.37 2.07 -4.68 6.14 7.64 -1.26 0.95 113.62 121.10 2ka9 n SER 128 Ca 0.00 1.09 -0.42 0.00 1.01 0.00 0.00 58.87 60.55 2ka9 n SER 128 Cb 0.33 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.36 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2ka9 n ILE 129 N 3.91 0.50 -4.65 0.44 5.41 -1.18 -4.69 119.36 119.11 2ka9 n ILE 129 Ca 0.24 -0.09 -0.29 0.00 1.00 0.00 0.00 62.75 63.61 2ka9 n ILE 129 Cb 0.14 -2.18 -0.10 0.00 -0.71 0.00 0.00 39.64 36.79 2ka9 n ILE 129 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 2ka9 s TYR 130 N 3.32 2.19 -0.04 1.39 1.51 -1.10 0.99 117.35 125.61 2ka9 s TYR 130 Ca 0.85 -0.83 0.02 0.00 -1.01 0.00 0.00 57.07 56.09 2ka9 s TYR 130 Cb -0.47 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.70 2ka9 s TYR 130 CO 0.39 0.29 -0.08 0.08 -1.11 0.00 0.00 175.55 175.12 2ka9 s VAL 131 N -2.85 3.59 -0.13 0.71 1.01 -0.35 -1.61 120.40 120.77 2ka9 s VAL 131 Ca 0.24 -0.60 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 2ka9 s VAL 131 Cb 0.06 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 2ka9 s VAL 131 CO 0.12 0.54 -0.28 0.35 0.00 0.00 0.00 175.10 175.83 2ka9 n THR 132 N 2.05 1.37 -3.73 3.92 -2.24 0.34 -3.28 114.28 112.70 2ka9 n THR 132 Ca -0.17 0.19 -0.14 0.00 -2.27 0.00 0.00 64.05 61.67 2ka9 n THR 132 Cb 0.53 -2.19 -0.09 0.00 -2.10 0.00 0.00 70.33 66.47 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 -2.67 0.63 -0.01 -0.78 2.36 -1.06 -4.60 119.74 113.62 2ka9 s LYS 133 Ca -0.23 0.07 0.06 0.00 -2.55 0.00 0.00 55.97 53.32 2ka9 s LYS 133 Cb 0.03 0.29 -0.03 0.00 -1.05 0.00 0.00 37.83 37.08 2ka9 s LYS 133 CO 0.35 -0.16 -0.20 0.42 1.55 0.00 0.00 175.35 177.31 2ka9 s ILE 134 N -0.84 2.57 0.82 5.43 1.01 -1.26 0.14 121.20 129.07 2ka9 s ILE 134 Ca -0.09 -1.03 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 2ka9 s ILE 134 Cb -0.04 -1.99 0.12 0.00 0.01 0.00 0.00 42.46 40.56 2ka9 s ILE 134 CO 0.04 0.51 1.16 -0.63 0.00 0.00 0.00 174.94 176.01 2ka9 s ILE 135 N -0.74 2.09 -0.38 2.92 -1.09 -1.22 -4.98 121.20 117.80 2ka9 s ILE 135 Ca 0.12 -0.14 0.05 0.00 -2.23 0.00 0.00 60.65 58.45 2ka9 s ILE 135 Cb -0.10 -2.95 0.48 0.00 -1.58 0.00 0.00 42.46 38.30 2ka9 s ILE 135 CO 0.01 0.00 1.50 -1.84 -1.23 0.00 0.00 174.94 173.38 2ka9 n GLU 136 N -3.30 2.74 0.08 2.79 0.28 -1.26 -4.59 120.64 117.38 2ka9 n GLU 136 Ca 0.11 -3.60 -0.05 0.00 -0.16 0.00 0.00 57.16 53.46 2ka9 n GLU 136 Cb 0.60 -2.11 -0.05 0.00 1.43 0.00 0.00 31.44 31.30 2ka9 n GLU 136 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2ka9 h GLY 137 N 1.70 0.00 0.00 -1.84 0.00 -1.94 -3.48 103.07 97.50 2ka9 h GLY 137 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2ka9 h GLY 137 CO 0.82 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.97 2ka9 n GLY 138 N 1.18 0.74 0.00 4.60 0.00 -1.26 -5.10 105.19 105.36 2ka9 n GLY 138 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 1.55 0.11 4.61 0.00 -1.26 -4.86 120.51 120.65 2ka9 n ALA 139 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2ka9 n ALA 139 Cb 0.00 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.65 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 0.45 1.05 0.15 0.00 0.00 -1.70 -1.10 119.26 118.11 2ka9 h ALA 140 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 140 Cb 0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2ka9 h ALA 140 CO 0.00 0.64 -0.39 0.45 0.00 0.00 0.00 179.25 179.95 2ka9 h HIS 141 N 0.13 -1.08 0.01 0.00 -0.00 -1.81 1.75 115.15 114.15 2ka9 h HIS 141 Ca 0.00 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2ka9 h HIS 141 Cb 0.92 0.45 0.00 0.00 -0.00 0.00 0.00 27.41 28.79 2ka9 h HIS 141 CO 0.01 -0.50 -0.00 0.87 -0.00 0.00 0.00 177.93 178.31 2ka9 h LYS 142 N -0.64 -0.01 0.00 2.45 6.56 -1.89 -2.87 116.57 120.17 2ka9 h LYS 142 Ca 0.02 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.61 2ka9 h LYS 142 Cb 0.66 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2ka9 h LYS 142 CO -0.21 0.61 -0.02 -0.44 -2.06 0.00 0.00 179.45 177.33 2ka9 h ASP 143 N -0.65 0.00 0.26 0.86 5.19 -1.18 -3.39 116.42 117.52 2ka9 h ASP 143 Ca -0.00 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.35 2ka9 h ASP 143 Cb 0.63 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.11 2ka9 h ASP 143 CO 0.00 0.54 -0.34 1.23 -3.12 0.00 0.00 179.24 177.55 2ka9 h GLY 144 N -1.00 -0.75 -1.36 2.75 0.00 0.21 -3.41 103.07 99.51 2ka9 h GLY 144 Ca -0.00 0.40 -0.43 0.00 0.00 0.00 0.00 47.33 47.30 2ka9 h GLY 144 CO -0.00 -0.28 -0.41 0.54 0.00 0.00 0.00 176.54 176.39 2ka9 n ARG 145 N -5.44 -1.50 -3.45 4.80 5.12 0.31 -4.84 116.66 111.67 2ka9 n ARG 145 Ca -0.09 1.19 -0.42 0.00 -1.93 0.00 0.00 57.85 56.60 2ka9 n ARG 145 Cb 0.35 -5.63 -0.03 0.00 -1.16 0.00 0.00 32.46 25.99 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ka9 s LEU 146 N -4.99 6.13 1.11 0.55 2.34 -1.26 -5.06 118.68 117.50 2ka9 s LEU 146 Ca 0.00 -3.39 -0.12 0.00 0.06 0.00 0.00 54.13 50.68 2ka9 s LEU 146 Cb 0.00 -2.10 0.25 0.00 -0.56 0.00 0.00 46.19 43.78 2ka9 s LEU 146 CO 0.00 -0.32 1.05 0.00 -1.06 0.00 0.00 176.35 176.02 2ka9 n GLN 147 N 2.92 -1.95 -1.70 1.48 10.64 -1.26 -4.65 117.38 122.86 2ka9 n GLN 147 Ca 0.20 -0.53 -0.57 0.00 -1.83 0.00 0.00 57.00 54.27 2ka9 n GLN 147 Cb 0.40 -2.23 -0.07 0.00 -0.86 0.00 0.00 30.24 27.48 2ka9 n GLN 147 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2ka9 n ILE 148 N -4.80 0.27 0.00 -0.39 5.41 -1.26 -1.84 119.36 116.74 2ka9 n ILE 148 Ca 0.05 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 63.76 2ka9 n ILE 148 Cb 0.53 -1.17 0.00 0.00 -0.71 0.00 0.00 39.64 38.30 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 4.00 1.99 3.70 7.39 0.00 -1.21 -5.05 105.19 116.01 2ka9 n GLY 149 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.70 6.59 -0.21 1.61 1.11 -0.77 -4.76 116.67 118.55 2ka9 s ASP 150 Ca 0.00 2.53 -0.06 0.00 0.18 0.00 0.00 52.55 55.20 2ka9 s ASP 150 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2ka9 s ASP 150 CO 0.00 -0.88 0.03 -1.59 1.18 0.00 0.00 175.17 173.91 2ka9 s LYS 151 N 2.31 3.68 -0.16 8.23 0.00 -1.26 -1.21 119.74 131.33 2ka9 s LYS 151 Ca 0.73 -0.48 -0.11 0.00 0.00 0.00 0.00 55.97 56.11 2ka9 s LYS 151 Cb -0.41 -3.17 -0.05 0.00 0.00 0.00 0.00 37.83 34.21 2ka9 s LYS 151 CO 0.32 -0.01 0.21 0.42 0.00 0.00 0.00 175.35 176.29 2ka9 s ILE 152 N 1.09 5.37 -2.24 3.79 1.01 0.28 0.07 121.20 130.57 2ka9 s ILE 152 Ca 0.03 0.36 0.27 0.00 0.00 0.00 0.00 60.65 61.31 2ka9 s ILE 152 Cb -0.14 -3.53 0.40 0.00 0.01 0.00 0.00 42.46 39.20 2ka9 s ILE 152 CO 0.02 0.46 1.63 0.00 0.00 0.00 0.00 174.94 177.05 2ka9 n LEU 153 N 3.15 1.43 0.00 2.97 -0.00 0.61 -3.08 117.00 122.08 2ka9 n LEU 153 Ca -0.15 -0.45 0.00 0.00 -0.00 0.00 0.00 56.01 55.41 2ka9 n LEU 153 Cb 0.53 -0.05 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 2ka9 n LEU 153 CO 0.37 0.25 0.00 0.00 -0.00 0.00 0.00 177.39 178.01 2ka9 n ALA 154 N -0.07 0.00 -3.44 1.47 0.00 -1.24 -3.82 120.51 113.41 2ka9 n ALA 154 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.16 2ka9 n ALA 154 Cb 0.37 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 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 4.72 0.00 0.00 1.01 0.32 -0.63 120.40 123.82 2ka9 s VAL 155 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 61.98 60.26 2ka9 s VAL 155 Cb 0.00 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.32 2ka9 s VAL 155 CO 0.00 -0.83 0.00 0.59 0.00 0.00 0.00 175.10 174.86 2ka9 n ASN 156 N 4.98 0.00 -0.97 3.32 3.02 0.45 -0.63 115.26 125.44 2ka9 n ASN 156 Ca -0.09 0.00 -0.03 0.00 -0.03 0.00 0.00 54.58 54.43 2ka9 n ASN 156 Cb 0.41 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.56 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ka9 n SER 157 N 1.64 -0.47 -4.07 6.41 3.41 -1.26 -4.99 113.62 114.30 2ka9 n SER 157 Ca 0.00 -0.98 -0.15 0.00 -0.26 0.00 0.00 58.87 57.48 2ka9 n SER 157 Cb 0.00 0.16 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ka9 s VAL 158 N 0.01 0.64 0.00 -3.33 1.01 0.19 -4.93 120.40 113.99 2ka9 s VAL 158 Ca 0.01 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2ka9 s VAL 158 Cb 0.04 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2ka9 s VAL 158 CO -0.01 -0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.44 2ka9 n GLY 159 N 1.70 2.11 2.37 4.51 0.00 -1.26 0.12 105.19 114.73 2ka9 n GLY 159 Ca -0.21 -0.37 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 0.00 -0.20 -3.14 0.99 4.32 -1.25 -1.21 117.00 116.50 2ka9 n LEU 160 Ca 0.00 -0.12 -0.21 0.00 -0.02 0.00 0.00 56.01 55.65 2ka9 n LEU 160 Cb 0.00 -0.75 -0.04 0.00 -1.62 0.00 0.00 43.42 41.01 2ka9 n LEU 160 CO 0.00 0.02 -0.08 -1.84 -1.22 0.00 0.00 177.39 174.28 2ka9 n GLU 161 N -1.97 -1.30 -1.45 3.23 0.00 -1.26 -4.74 120.64 113.14 2ka9 n GLU 161 Ca 0.03 0.07 -0.16 0.00 0.00 0.00 0.00 57.16 57.10 2ka9 n GLU 161 Cb 0.29 -3.34 0.10 0.00 0.00 0.00 0.00 31.44 28.49 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2ka9 n ASP 162 N -1.40 4.20 0.00 -1.84 5.68 -0.35 -4.48 116.55 118.36 2ka9 n ASP 162 Ca 0.06 -3.79 0.00 0.00 -0.50 0.00 0.00 54.79 50.56 2ka9 n ASP 162 Cb 0.33 -0.51 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 2ka9 n VAL 163 N -0.89 0.00 0.00 2.12 0.31 -1.26 -5.04 118.33 113.57 2ka9 n VAL 163 Ca 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.73 2ka9 n VAL 163 Cb 0.90 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 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 -0.79 0.00 -0.27 5.55 2.81 -1.26 -4.17 117.12 118.98 2ka9 n MET 164 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 2ka9 n MET 164 Cb 0.00 0.00 0.38 0.00 -0.71 0.00 0.00 33.22 32.89 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 0.82 -0.11 2.03 2.07 -1.60 0.27 115.15 118.64 2ka9 h HIS 165 Ca 0.00 0.02 -0.23 0.00 -2.85 0.00 0.00 60.37 57.32 2ka9 h HIS 165 Cb 0.00 -0.26 0.01 0.00 2.57 0.00 0.00 27.41 29.73 2ka9 h HIS 165 CO 0.00 0.30 -0.81 1.49 -3.07 0.00 0.00 177.93 175.83 2ka9 h GLU 166 N 0.69 0.75 0.01 5.12 4.22 -1.91 -1.50 114.58 121.95 2ka9 h GLU 166 Ca 0.45 -0.66 -0.24 0.00 0.08 0.00 0.00 59.36 58.99 2ka9 h GLU 166 Cb 0.73 0.15 0.01 0.00 0.50 0.00 0.00 28.75 30.14 2ka9 h GLU 166 CO -0.21 1.26 -1.00 -0.44 -2.18 0.00 0.00 179.01 176.44 2ka9 h ASP 167 N 0.46 0.69 0.10 1.04 3.32 -1.72 -0.55 116.42 119.76 2ka9 h ASP 167 Ca -0.07 -0.56 -0.14 0.00 0.02 0.00 0.00 57.03 56.28 2ka9 h ASP 167 Cb 1.45 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 2ka9 h ASP 167 CO 0.17 1.36 -0.51 0.00 -1.72 0.00 0.00 179.24 178.53 2ka9 h ALA 168 N 0.60 0.81 -0.07 3.45 0.00 -0.58 0.31 119.26 123.78 2ka9 h ALA 168 Ca -0.10 -0.49 -0.16 0.00 0.00 0.00 0.00 54.91 54.15 2ka9 h ALA 168 Cb 1.64 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2ka9 h ALA 168 CO 0.18 0.67 -0.60 0.28 0.00 0.00 0.00 179.25 179.79 2ka9 h VAL 169 N 0.36 1.37 -0.15 0.00 2.07 -1.27 -0.95 116.25 117.68 2ka9 h VAL 169 Ca 0.01 -1.93 -0.17 0.00 0.82 0.00 0.00 66.70 65.43 2ka9 h VAL 169 Cb 1.02 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 2ka9 h VAL 169 CO 0.09 0.58 -0.61 0.00 0.02 0.00 0.00 177.57 177.65 2ka9 h ALA 170 N 0.44 0.66 0.00 1.67 0.00 -1.06 -1.16 119.26 119.81 2ka9 h ALA 170 Ca -0.05 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 2ka9 h ALA 170 Cb 1.26 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 2ka9 h ALA 170 CO 0.12 0.71 -0.54 0.00 0.00 0.00 0.00 179.25 179.54 2ka9 h ALA 171 N 0.96 0.78 0.16 0.00 0.00 -0.42 -0.95 119.26 119.78 2ka9 h ALA 171 Ca -0.01 -0.49 -0.30 0.00 0.00 0.00 0.00 54.91 54.11 2ka9 h ALA 171 Cb 1.16 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.88 2ka9 h ALA 171 CO 0.11 0.67 -1.40 1.37 0.00 0.00 0.00 179.25 180.00 2ka9 h LEU 172 N 0.00 0.53 -0.90 0.00 8.10 -1.10 -3.21 115.31 118.73 2ka9 h LEU 172 Ca -0.01 -0.61 -0.09 0.00 0.11 0.00 0.00 57.88 57.28 2ka9 h LEU 172 Cb 1.22 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 41.26 2ka9 h LEU 172 CO 0.07 1.49 -0.42 0.50 -4.11 0.00 0.00 178.44 175.97 2ka9 h LYS 173 N 0.09 0.00 0.00 0.17 3.64 -1.20 -2.58 116.57 116.69 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 0.21 0.42 0.00 0.09 -2.27 0.00 0.00 179.45 177.90 2ka9 n ASN 174 N -3.59 0.00 -3.43 4.20 3.02 -0.37 -4.83 115.26 110.26 2ka9 n ASN 174 Ca -0.00 0.44 -0.12 0.00 -0.03 0.00 0.00 54.58 54.87 2ka9 n ASN 174 Cb 0.53 -0.47 0.12 0.00 -0.61 0.00 0.00 39.78 39.35 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 -1.47 0.00 -3.63 3.41 -2.24 -0.97 -5.02 114.28 104.35 2ka9 n THR 175 Ca 0.04 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.60 2ka9 n THR 175 Cb 0.17 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.82 2.52 0.43 4.78 5.04 -1.26 -4.99 117.35 122.04 2ka9 s TYR 176 Ca 0.27 -0.55 0.25 0.00 -2.44 0.00 0.00 57.07 54.59 2ka9 s TYR 176 Cb -0.05 -2.13 1.35 0.00 0.35 0.00 0.00 41.96 41.49 2ka9 s TYR 176 CO 0.23 -0.18 1.73 -0.44 -1.34 0.00 0.00 175.55 175.55 2ka9 h ASP 177 N 0.99 0.00 -2.02 4.32 3.32 -1.95 -3.30 116.42 117.79 2ka9 h ASP 177 Ca -0.40 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.27 2ka9 h ASP 177 Cb 1.27 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.50 2ka9 h ASP 177 CO 0.58 0.00 -0.69 -0.69 -1.72 0.00 0.00 179.24 176.72 2ka9 s VAL 178 N -3.84 -0.31 0.08 -1.35 1.01 -1.26 0.83 120.40 115.56 2ka9 s VAL 178 Ca -0.03 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.05 2ka9 s VAL 178 Cb 0.07 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 2ka9 s VAL 178 CO 0.23 -0.60 -0.19 0.68 0.00 0.00 0.00 175.10 175.21 2ka9 s VAL 179 N 1.51 2.73 -0.17 2.92 -7.23 -0.91 -4.97 120.40 114.28 2ka9 s VAL 179 Ca 0.16 -1.38 -0.03 0.00 -1.81 0.00 0.00 61.98 58.92 2ka9 s VAL 179 Cb -0.16 -2.19 -0.02 0.00 0.56 0.00 0.00 36.38 34.57 2ka9 s VAL 179 CO -0.06 0.22 -0.06 -0.72 -0.31 0.00 0.00 175.10 174.16 2ka9 s TYR 180 N -1.02 2.94 0.24 2.82 1.13 -1.26 0.05 117.35 122.25 2ka9 s TYR 180 Ca 0.16 -0.63 0.09 0.00 -1.41 0.00 0.00 57.07 55.27 2ka9 s TYR 180 Cb -0.10 -1.99 -0.04 0.00 -1.10 0.00 0.00 41.96 38.73 2ka9 s TYR 180 CO 0.07 -0.28 0.00 -0.48 -2.51 0.00 0.00 175.55 172.35 2ka9 s LEU 181 N 0.81 3.24 -0.28 -3.49 2.34 0.32 -0.41 118.68 121.21 2ka9 s LEU 181 Ca -0.02 -0.56 -0.11 0.00 0.06 0.00 0.00 54.13 53.50 2ka9 s LEU 181 Cb -0.15 -1.80 -0.05 0.00 -0.56 0.00 0.00 46.19 43.63 2ka9 s LEU 181 CO 0.01 0.02 0.18 -0.54 -1.06 0.00 0.00 176.35 174.97 2ka9 s LYS 182 N -3.47 3.89 0.26 1.48 3.01 0.20 -0.22 119.74 124.89 2ka9 s LYS 182 Ca 0.30 -0.36 0.06 0.00 -1.01 0.00 0.00 55.97 54.96 2ka9 s LYS 182 Cb -0.07 -3.62 -0.03 0.00 -1.01 0.00 0.00 37.83 33.10 2ka9 s LYS 182 CO 0.20 -0.19 0.33 0.08 0.51 0.00 0.00 175.35 176.27 2ka9 s VAL 183 N 1.74 4.83 -0.05 3.17 1.01 -0.21 -0.28 120.40 130.60 2ka9 s VAL 183 Ca 0.07 -1.11 0.03 0.00 0.00 0.00 0.00 61.98 60.97 2ka9 s VAL 183 Cb -0.16 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2ka9 s VAL 183 CO 0.10 -0.31 -0.15 0.00 0.00 0.00 0.00 175.10 174.74 2ka9 s ALA 184 N -2.06 1.44 -0.02 5.51 0.00 0.11 0.35 121.76 127.08 2ka9 s ALA 184 Ca 0.35 -0.59 -0.26 0.00 0.00 0.00 0.00 51.96 51.46 2ka9 s ALA 184 Cb -0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 2ka9 s ALA 184 CO 0.28 0.21 0.81 0.15 0.00 0.00 0.00 175.76 177.22 2ka9 s LYS 185 N 0.28 4.50 0.12 0.00 1.02 0.21 -4.06 119.74 121.80 2ka9 s LYS 185 Ca -0.08 1.11 -0.32 0.00 0.02 0.00 0.00 55.97 56.70 2ka9 s LYS 185 Cb -0.13 -3.44 -0.11 0.00 -0.52 0.00 0.00 37.83 33.63 2ka9 s LYS 185 CO 0.03 0.06 1.80 -0.35 -0.92 0.00 0.00 175.35 175.97 2ka9 n PRO 186 N 3.65 2.65 -1.19 -1.68 -0.04 -1.26 -3.34 135.00 133.78 2ka9 n PRO 186 Ca 0.01 0.96 -0.35 0.00 -0.04 0.00 0.00 63.50 64.08 2ka9 n PRO 186 Cb 0.51 -2.83 0.09 0.00 -0.04 0.00 0.00 33.50 31.23 2ka9 n PRO 186 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2ka9 n SER 187 N 5.29 -0.68 -2.55 3.54 7.64 -1.26 -1.88 113.62 123.71 2ka9 n SER 187 Ca 0.18 0.57 -0.03 0.00 1.01 0.00 0.00 58.87 60.60 2ka9 n SER 187 Cb 0.35 -1.29 -0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2ka9 n SER 187 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 2ka9 n ASN 188 N -1.12 -1.51 -0.51 6.43 6.94 -1.26 -4.69 115.26 119.53 2ka9 n ASN 188 Ca 0.11 0.40 0.06 0.00 -0.02 0.00 0.00 54.58 55.13 2ka9 n ASN 188 Cb 0.50 -1.40 0.05 0.00 -2.36 0.00 0.00 39.78 36.57 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23