#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2i n GLY 2 N 0.00 0.45 2.84 0.00 0.00 0.01 -4.70 105.19 103.78 1k2i n GLY 2 Ca 0.00 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 1k2i n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k2i s VAL 3 N -1.51 1.81 0.44 1.61 1.01 -1.26 -1.01 120.40 121.49 1k2i s VAL 3 Ca 0.00 -2.54 -0.26 0.00 0.00 0.00 0.00 61.98 59.18 1k2i s VAL 3 Cb 0.00 -2.29 -0.09 0.00 0.00 0.00 0.00 36.38 34.00 1k2i s VAL 3 CO 0.00 -0.78 1.42 -2.84 0.00 0.00 0.00 175.10 172.91 1k2i s PRO 4 N 0.48 3.75 0.24 2.72 0.02 -1.26 -4.91 135.00 136.03 1k2i s PRO 4 Ca 0.15 2.41 0.05 0.00 0.02 0.00 0.00 61.00 63.63 1k2i s PRO 4 Cb -0.23 -2.70 0.24 0.00 0.02 0.00 0.00 34.50 31.84 1k2i s PRO 4 CO -0.05 -0.76 1.55 0.00 -0.33 0.00 0.00 177.00 177.41 1k2i h ALA 5 N 2.42 0.84 -2.83 -1.55 0.00 -1.89 -3.38 119.26 112.87 1k2i h ALA 5 Ca -0.51 -0.56 -0.71 0.00 0.00 0.00 0.00 54.91 53.14 1k2i h ALA 5 Cb 1.26 -0.09 -0.27 0.00 0.00 0.00 0.00 17.79 18.70 1k2i h ALA 5 CO 0.62 0.74 -0.50 0.42 0.00 0.00 0.00 179.25 180.53 1k2i s ILE 6 N -3.71 4.32 0.24 0.00 1.01 -1.26 -5.07 121.20 116.73 1k2i s ILE 6 Ca -0.04 -1.15 -0.30 0.00 0.00 0.00 0.00 60.65 59.16 1k2i s ILE 6 Cb 0.12 -3.53 -0.10 0.00 0.01 0.00 0.00 42.46 38.96 1k2i s ILE 6 CO 0.80 -0.36 1.45 -1.10 0.00 0.00 0.00 174.94 175.72 1k2i s GLN 7 N 1.48 4.26 0.53 2.79 -0.21 -1.26 -4.18 119.66 123.07 1k2i s GLN 7 Ca 0.02 2.30 -0.20 0.00 0.02 0.00 0.00 55.36 57.50 1k2i s GLN 7 Cb -0.21 -3.12 -0.06 0.00 1.00 0.00 0.00 33.01 30.62 1k2i s GLN 7 CO 0.04 -0.44 1.11 -2.14 -2.12 0.00 0.00 175.29 171.75 1k2i s PRO 8 N -0.19 3.47 -0.20 2.91 0.02 -1.26 -4.90 135.00 134.85 1k2i s PRO 8 Ca 0.60 1.57 0.01 0.00 0.02 0.00 0.00 61.00 63.21 1k2i s PRO 8 Cb -0.42 -2.05 0.03 0.00 0.02 0.00 0.00 34.50 32.09 1k2i s PRO 8 CO 0.42 -0.75 -0.16 0.08 -0.33 0.00 0.00 177.00 176.26 1k2i s VAL 9 N -1.79 2.00 -0.07 3.83 1.01 -1.26 -5.09 120.40 119.02 1k2i s VAL 9 Ca 0.71 -1.12 -0.03 0.00 0.00 0.00 0.00 61.98 61.55 1k2i s VAL 9 Cb -0.23 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1k2i s VAL 9 CO 0.26 0.33 0.05 -0.76 0.00 0.00 0.00 175.10 174.98 1k2i s LEU 10 N 1.27 3.83 0.00 3.92 2.01 -1.26 -4.81 118.68 123.64 1k2i s LEU 10 Ca 0.00 0.21 0.00 0.00 0.01 0.00 0.00 54.13 54.36 1k2i s LEU 10 Cb -0.15 -1.99 0.00 0.00 0.01 0.00 0.00 46.19 44.06 1k2i s LEU 10 CO -0.10 0.36 0.00 -0.38 1.01 0.00 0.00 176.35 177.24 1k2i n ILE 16 N 1.85 0.00 -3.16 -0.59 5.41 -0.06 -5.09 119.36 117.72 1k2i n ILE 16 Ca -0.17 0.00 -0.39 0.00 1.00 0.00 0.00 62.75 63.19 1k2i n ILE 16 Cb 0.54 0.00 -0.05 0.00 -0.71 0.00 0.00 39.64 39.41 1k2i n ILE 16 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1k2i s VAL 17 N 0.00 5.09 -1.31 1.39 1.01 0.11 -3.97 120.40 122.72 1k2i s VAL 17 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.22 1k2i s VAL 17 Cb 0.00 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.43 1k2i s VAL 17 CO 0.00 0.29 0.00 0.59 0.00 0.00 0.00 175.10 175.98 1k2i n ASN 18 N 3.64 -4.53 -1.40 3.32 3.02 -1.26 -2.49 115.26 115.57 1k2i n ASN 18 Ca -0.04 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1k2i n ASN 18 Cb 0.51 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.06 1k2i n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2i n GLY 19 N -1.04 0.93 3.14 7.41 0.00 -1.26 -4.85 105.19 109.53 1k2i n GLY 19 Ca -0.17 -1.92 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 1k2i n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1k2i s GLU 20 N 0.35 0.82 0.19 1.61 -1.05 0.01 -4.93 118.70 115.71 1k2i s GLU 20 Ca 0.00 -1.34 -0.30 0.00 -0.15 0.00 0.00 54.97 53.18 1k2i s GLU 20 Cb 0.00 0.24 -0.08 0.00 -0.44 0.00 0.00 34.13 33.84 1k2i s GLU 20 CO 0.00 -0.21 1.28 -2.00 0.95 0.00 0.00 175.26 175.28 1k2i s GLU 21 N -3.99 4.41 0.57 -4.83 2.12 -1.26 -0.16 118.70 115.56 1k2i s GLU 21 Ca 0.17 2.01 -0.07 0.00 0.36 0.00 0.00 54.97 57.44 1k2i s GLU 21 Cb 0.07 -3.21 -0.01 0.00 0.26 0.00 0.00 34.13 31.25 1k2i s GLU 21 CO -0.03 -0.22 0.90 0.00 -0.54 0.00 0.00 175.26 175.37 1k2i s ALA 22 N 0.11 3.27 0.09 6.30 0.00 -0.55 -4.82 121.76 126.16 1k2i s ALA 22 Ca 0.56 -0.56 -0.31 0.00 0.00 0.00 0.00 51.96 51.66 1k2i s ALA 22 Cb -0.35 -2.68 -0.06 0.00 0.00 0.00 0.00 23.12 20.02 1k2i s ALA 22 CO 0.38 -0.70 1.22 0.08 0.00 0.00 0.00 175.76 176.73 1k2i s VAL 23 N -2.98 3.87 -0.04 0.00 1.01 -1.26 -4.91 120.40 116.09 1k2i s VAL 23 Ca 0.53 1.38 -0.37 0.00 0.00 0.00 0.00 61.98 63.52 1k2i s VAL 23 Cb -0.11 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.24 1k2i s VAL 23 CO 0.46 0.13 1.62 -2.65 0.00 0.00 0.00 175.10 174.66 1k2i n PRO 24 N 3.65 1.58 -0.95 2.72 -0.02 -1.26 -1.68 135.00 139.04 1k2i n PRO 24 Ca 0.08 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1k2i n PRO 24 Cb 0.46 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1k2i n PRO 24 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k2i n GLY 25 N 3.58 0.58 0.00 -1.23 0.00 -1.26 -4.91 105.19 101.96 1k2i n GLY 25 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1k2i n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2i n SER 26 N -0.11 0.00 -3.30 1.61 3.41 -0.67 -3.66 113.62 110.89 1k2i n SER 26 Ca 0.00 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.51 1k2i n SER 26 Cb 0.06 -0.38 -0.07 0.00 -0.26 0.00 0.00 64.21 63.55 1k2i n SER 26 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1k2i n TRP 27 N -1.38 1.98 0.30 7.33 7.02 -1.26 -4.36 117.44 127.08 1k2i n TRP 27 Ca 0.10 -3.91 0.18 0.00 -1.02 0.00 0.00 57.50 52.85 1k2i n TRP 27 Cb 0.26 -0.47 0.92 0.00 -2.42 0.00 0.00 31.31 29.60 1k2i n TRP 27 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1k2i h PRO 28 N 4.01 0.00 0.00 -0.99 0.13 -1.76 -2.16 132.00 131.23 1k2i h PRO 28 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1k2i h PRO 28 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1k2i h PRO 28 CO 0.68 0.00 -0.56 -2.67 -0.23 0.00 0.00 178.00 175.22 1k2i n TRP 29 N -3.11 0.30 -2.18 1.56 2.14 -1.14 -2.56 117.44 112.46 1k2i n TRP 29 Ca -0.01 0.09 -0.42 0.00 2.07 0.00 0.00 57.50 59.22 1k2i n TRP 29 Cb 0.31 -0.48 -0.03 0.00 -0.81 0.00 0.00 31.31 30.30 1k2i n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1k2i s GLN 30 N -3.09 4.26 0.27 -2.67 2.00 -0.82 -0.86 119.66 118.76 1k2i s GLN 30 Ca 0.08 2.01 0.09 0.00 -2.00 0.00 0.00 55.36 55.54 1k2i s GLN 30 Cb 0.15 -3.62 -0.05 0.00 0.80 0.00 0.00 33.01 30.28 1k2i s GLN 30 CO 0.71 -0.62 -0.12 0.14 -0.50 0.00 0.00 175.29 174.89 1k2i s VAL 31 N 2.64 1.99 -0.09 1.34 -7.23 -0.55 -4.47 120.40 114.03 1k2i s VAL 31 Ca 0.65 -2.23 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1k2i s VAL 31 Cb -0.32 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 1k2i s VAL 31 CO 0.27 -0.37 -0.15 -0.55 -0.31 0.00 0.00 175.10 173.98 1k2i s SER 32 N -3.46 3.90 -0.29 4.85 0.15 -0.57 -2.18 113.70 116.10 1k2i s SER 32 Ca 0.29 -0.30 -0.12 0.00 0.70 0.00 0.00 55.95 56.52 1k2i s SER 32 Cb 0.00 -1.22 -0.04 0.00 -1.71 0.00 0.00 66.02 63.05 1k2i s SER 32 CO 0.12 0.25 0.22 -0.76 1.20 0.00 0.00 173.24 174.27 1k2i s LEU 33 N -0.14 4.11 0.05 3.45 1.43 0.87 -0.95 118.68 127.51 1k2i s LEU 33 Ca -0.01 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1k2i s LEU 33 Cb -0.14 -2.16 -0.03 0.00 0.03 0.00 0.00 46.19 43.89 1k2i s LEU 33 CO 0.04 -0.10 -0.23 -1.10 0.23 0.00 0.00 176.35 175.18 1k2i s GLN 34 N 1.79 1.51 0.86 1.70 -0.21 -0.51 -1.41 119.66 123.40 1k2i s GLN 34 Ca 0.08 -1.03 -0.12 0.00 0.02 0.00 0.00 55.36 54.31 1k2i s GLN 34 Cb -0.16 -1.68 0.19 0.00 1.00 0.00 0.00 33.01 32.37 1k2i s GLN 34 CO 0.11 0.43 1.18 -0.40 -2.12 0.00 0.00 175.29 174.48 1k2i n ASP 35 N 1.73 0.41 0.26 5.90 5.68 -0.78 -0.18 116.55 129.57 1k2i n ASP 35 Ca -0.17 -1.62 0.18 0.00 -0.50 0.00 0.00 54.79 52.68 1k2i n ASP 35 Cb 0.53 -0.87 0.92 0.00 -1.14 0.00 0.00 41.12 40.56 1k2i n ASP 35 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 1k2i h LYS 36 N 0.00 0.00 -0.01 0.11 2.10 -1.92 -0.70 116.57 116.15 1k2i h LYS 36 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 1k2i h LYS 36 Cb 1.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 1k2i h LYS 36 CO 0.30 0.00 -0.05 0.25 -2.00 0.00 0.00 179.45 177.95 1k2i n THR 37 N -2.75 0.00 -0.61 0.07 -2.24 -1.26 -4.90 114.28 102.59 1k2i n THR 37 Ca -0.02 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1k2i n THR 37 Cb 0.09 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 1k2i n THR 37 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2i n GLY 38 N 1.18 0.70 3.68 3.38 0.00 -0.27 -5.04 105.19 108.82 1k2i n GLY 38 Ca 0.18 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1k2i n GLY 38 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1k2i s PHE 39 N -2.00 3.40 -0.08 1.61 5.36 -1.26 -4.81 117.98 120.21 1k2i s PHE 39 Ca 0.00 1.50 -0.30 0.00 -0.96 0.00 0.00 56.93 57.17 1k2i s PHE 39 Cb 0.00 -3.25 -0.02 0.00 -0.34 0.00 0.00 43.02 39.41 1k2i s PHE 39 CO 0.00 -0.47 1.10 -1.58 -1.46 0.00 0.00 175.22 172.81 1k2i s HIS 40 N 2.46 3.36 0.00 10.12 5.65 -1.26 -1.86 115.29 133.76 1k2i s HIS 40 Ca 0.48 1.41 0.00 0.00 0.25 0.00 0.00 55.06 57.20 1k2i s HIS 40 Cb -0.18 -3.30 0.00 0.00 -1.18 0.00 0.00 32.58 27.92 1k2i s HIS 40 CO 0.14 -0.75 0.00 1.97 -0.65 0.00 0.00 174.74 175.46 1k2i n PHE 41 N 5.05 0.00 -3.44 3.88 1.16 -0.50 -5.01 117.46 118.61 1k2i n PHE 41 Ca 0.10 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.56 1k2i n PHE 41 Cb 0.48 0.00 -0.02 0.00 -1.61 0.00 0.00 39.48 38.32 1k2i n PHE 41 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1k2i s GLY 43 N -2.63 1.92 0.12 0.00 0.00 0.93 -0.09 107.32 107.57 1k2i s GLY 43 Ca 0.01 -1.89 -0.26 0.00 0.00 0.00 0.00 44.72 42.58 1k2i s GLY 43 CO -0.11 -1.75 1.01 -0.32 0.00 0.00 0.00 173.10 171.93 1k2i s GLY 44 N -4.54 -0.27 -0.04 0.20 0.00 -0.93 -3.57 107.32 98.18 1k2i s GLY 44 Ca 0.54 0.25 0.02 0.00 0.00 0.00 0.00 44.72 45.53 1k2i s GLY 44 CO 0.34 0.03 -0.07 -0.56 0.00 0.00 0.00 173.10 172.84 1k2i s SER 45 N -2.93 1.14 0.05 1.64 0.01 -0.11 -1.48 113.70 112.02 1k2i s SER 45 Ca 0.12 -0.17 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 1k2i s SER 45 Cb -0.00 -0.46 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 1k2i s SER 45 CO 0.01 0.00 1.09 -0.76 0.41 0.00 0.00 173.24 173.99 1k2i s LEU 46 N 0.61 4.39 0.00 2.44 1.43 -0.04 -0.67 118.68 126.83 1k2i s LEU 46 Ca -0.09 1.88 0.11 0.00 -1.03 0.00 0.00 54.13 54.99 1k2i s LEU 46 Cb -0.13 -3.58 -0.11 0.00 0.03 0.00 0.00 46.19 42.41 1k2i s LEU 46 CO 0.01 -0.35 0.50 2.30 0.23 0.00 0.00 176.35 179.05 1k2i n ILE 47 N 3.71 0.00 -3.99 -0.59 -5.35 -0.95 -1.92 119.36 110.27 1k2i n ILE 47 Ca 0.07 -0.26 0.02 0.00 -0.27 0.00 0.00 62.75 62.32 1k2i n ILE 47 Cb 0.48 1.02 0.01 0.00 -1.74 0.00 0.00 39.64 39.41 1k2i n ILE 47 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1k2i n ASN 48 N -1.13 -1.09 0.29 7.28 2.04 -1.24 -4.73 115.26 116.68 1k2i n ASN 48 Ca 0.02 -1.24 0.19 0.00 -0.44 0.00 0.00 54.58 53.11 1k2i n ASN 48 Cb 0.18 1.70 0.92 0.00 -2.53 0.00 0.00 39.78 40.05 1k2i n ASN 48 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1k2i h GLU 49 N 0.00 0.00 -0.00 -3.83 3.07 -1.97 -3.23 114.58 108.62 1k2i h GLU 49 Ca -0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.67 1k2i h GLU 49 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1k2i h GLU 49 CO 0.28 0.00 -0.14 0.09 -1.40 0.00 0.00 179.01 177.84 1k2i n ASN 50 N -3.01 0.70 -4.14 1.42 3.02 -1.26 -0.57 115.26 111.42 1k2i n ASN 50 Ca -0.01 -0.85 -0.21 0.00 -0.03 0.00 0.00 54.58 53.47 1k2i n ASN 50 Cb 0.18 0.61 -0.14 0.00 -0.61 0.00 0.00 39.78 39.83 1k2i n ASN 50 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1k2i s TRP 51 N -1.07 1.31 -0.03 3.10 0.52 -1.22 -0.85 118.94 120.70 1k2i s TRP 51 Ca 0.04 -0.31 0.05 0.00 0.02 0.00 0.00 56.10 55.89 1k2i s TRP 51 Cb 0.04 -0.80 -0.01 0.00 -1.15 0.00 0.00 33.47 31.55 1k2i s TRP 51 CO 0.15 0.02 -0.17 0.08 0.02 0.00 0.00 176.95 177.05 1k2i s VAL 52 N -0.65 1.37 -0.13 4.03 1.01 -0.49 -2.24 120.40 123.31 1k2i s VAL 52 Ca 0.04 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1k2i s VAL 52 Cb -0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 36.38 35.11 1k2i s VAL 52 CO 0.01 0.39 -0.01 0.68 0.00 0.00 0.00 175.10 176.17 1k2i s VAL 53 N -0.16 4.16 0.05 2.92 -7.23 0.15 -0.41 120.40 119.88 1k2i s VAL 53 Ca 0.01 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.90 1k2i s VAL 53 Cb -0.09 -2.79 0.00 0.00 0.56 0.00 0.00 36.38 34.06 1k2i s VAL 53 CO 0.01 0.54 0.06 1.07 -0.31 0.00 0.00 175.10 176.47 1k2i n THR 54 N 2.90 0.00 -3.34 5.32 5.66 -0.24 -0.93 114.28 123.64 1k2i n THR 54 Ca -0.18 -0.26 -0.36 0.00 -3.05 0.00 0.00 64.05 60.20 1k2i n THR 54 Cb 0.53 0.15 -0.06 0.00 -1.55 0.00 0.00 70.33 69.40 1k2i n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1k2i s ALA 55 N -1.83 3.59 0.31 1.79 0.00 -1.26 -1.08 121.76 123.28 1k2i s ALA 55 Ca 0.04 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1k2i s ALA 55 Cb -0.00 -2.55 0.51 0.00 0.00 0.00 0.00 23.12 21.08 1k2i s ALA 55 CO 0.03 0.44 1.80 0.00 0.00 0.00 0.00 175.76 178.03 1k2i h ALA 56 N 3.92 1.24 0.00 0.00 0.00 -1.74 -2.67 119.26 120.01 1k2i h ALA 56 Ca -0.49 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1k2i h ALA 56 Cb 1.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1k2i h ALA 56 CO 0.65 0.49 0.00 -2.39 0.00 0.00 0.00 179.25 178.00 1k2i n HIS 57 N -4.21 0.00 0.31 0.00 1.44 -1.26 -2.54 115.22 108.97 1k2i n HIS 57 Ca 0.01 0.00 0.15 0.00 -2.01 0.00 0.00 57.72 55.87 1k2i n HIS 57 Cb 0.32 -0.40 0.68 0.00 0.12 0.00 0.00 29.99 30.72 1k2i n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1k2i n GLY 59 N -0.30 -0.48 3.76 0.00 0.00 -1.05 -4.95 105.19 102.17 1k2i n GLY 59 Ca 0.00 0.20 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1k2i n GLY 59 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k2i s VAL 60 N -3.36 2.55 0.33 1.61 1.01 -1.26 -5.05 120.40 116.23 1k2i s VAL 60 Ca 0.47 0.46 0.05 0.00 0.00 0.00 0.00 61.98 62.96 1k2i s VAL 60 Cb -0.22 -3.25 -0.07 0.00 0.00 0.00 0.00 36.38 32.84 1k2i s VAL 60 CO 0.77 0.04 0.03 0.42 0.00 0.00 0.00 175.10 176.36 1k2i s THR 61 N -1.33 1.40 -1.78 3.92 -4.23 -1.26 -4.99 115.64 107.37 1k2i s THR 61 Ca 0.62 -2.02 0.20 0.00 -1.18 0.00 0.00 61.69 59.31 1k2i s THR 61 Cb -0.37 -2.77 0.48 0.00 1.34 0.00 0.00 72.50 71.18 1k2i s THR 61 CO 0.46 -0.05 1.59 0.35 -0.54 0.00 0.00 174.62 176.43 1k2i n THR 62 N -0.72 0.16 1.02 3.99 -2.24 -1.26 -1.99 114.28 113.24 1k2i n THR 62 Ca -0.03 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.90 1k2i n THR 62 Cb 0.66 -0.73 0.12 0.00 -2.10 0.00 0.00 70.33 68.28 1k2i n THR 62 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k2i n SER 63 N -1.11 0.79 -4.89 3.42 3.41 -1.26 -4.49 113.62 109.49 1k2i n SER 63 Ca 0.13 -0.63 -0.29 0.00 -0.26 0.00 0.00 58.87 57.82 1k2i n SER 63 Cb 0.10 0.52 0.04 0.00 -0.26 0.00 0.00 64.21 64.60 1k2i n SER 63 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1k2i s ASP 64 N -2.93 5.59 0.02 4.04 1.01 -0.84 -4.23 116.67 119.32 1k2i s ASP 64 Ca 0.11 1.02 0.07 0.00 0.71 0.00 0.00 52.55 54.47 1k2i s ASP 64 Cb 0.17 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 1k2i s ASP 64 CO 0.74 -1.19 -0.21 -0.69 0.21 0.00 0.00 175.17 174.04 1k2i s VAL 65 N -3.21 1.64 -0.25 -1.27 1.01 0.75 -4.30 120.40 114.76 1k2i s VAL 65 Ca 0.56 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1k2i s VAL 65 Cb -0.11 -1.40 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 1k2i s VAL 65 CO 0.50 0.31 0.24 -0.69 0.00 0.00 0.00 175.10 175.46 1k2i s VAL 66 N -0.66 5.29 -0.24 2.92 1.01 -0.43 -1.42 120.40 126.87 1k2i s VAL 66 Ca 0.08 0.31 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1k2i s VAL 66 Cb -0.08 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 1k2i s VAL 66 CO 0.01 0.27 0.01 -0.69 0.00 0.00 0.00 175.10 174.69 1k2i s VAL 67 N 1.49 3.68 0.15 2.92 1.01 -0.13 0.06 120.40 129.57 1k2i s VAL 67 Ca 0.10 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 61.68 1k2i s VAL 67 Cb -0.15 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1k2i s VAL 67 CO 0.08 0.33 -0.08 0.00 0.00 0.00 0.00 175.10 175.43 1k2i s ALA 68 N 1.51 3.00 -0.30 5.51 0.00 -0.17 -1.50 121.76 129.81 1k2i s ALA 68 Ca 0.05 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.66 1k2i s ALA 68 Cb -0.15 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.11 1k2i s ALA 68 CO -0.01 0.55 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1k2i n GLY 69 N 0.30 0.60 3.89 0.00 0.00 -1.26 -1.24 105.19 107.48 1k2i n GLY 69 Ca -0.12 -0.54 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 1k2i n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k2i s GLU 70 N -1.64 3.57 0.10 1.61 2.12 -1.26 -4.63 118.70 118.56 1k2i s GLU 70 Ca 0.00 -0.13 0.00 0.00 0.36 0.00 0.00 54.97 55.20 1k2i s GLU 70 Cb 0.00 -3.03 0.00 0.00 0.26 0.00 0.00 34.13 31.36 1k2i s GLU 70 CO 0.00 0.61 0.00 0.34 -0.54 0.00 0.00 175.26 175.67 1k2i n PHE 71 N 0.78 -0.49 -3.68 5.30 7.35 -1.26 -4.89 117.46 120.58 1k2i n PHE 71 Ca -0.08 0.09 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 1k2i n PHE 71 Cb 0.52 0.18 -0.11 0.00 0.35 0.00 0.00 39.48 40.42 1k2i n PHE 71 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1k2i s ASP 72 N -5.40 5.47 0.00 -2.13 -1.08 -1.26 -1.83 116.67 110.44 1k2i s ASP 72 Ca 0.00 -1.43 0.12 0.00 -0.52 0.00 0.00 52.55 50.72 1k2i s ASP 72 Cb 0.00 -1.92 0.59 0.00 -1.46 0.00 0.00 42.92 40.13 1k2i s ASP 72 CO 0.00 -0.46 1.34 0.00 0.52 0.00 0.00 175.17 176.57 1k2i n GLN 73 N 4.84 0.12 0.00 4.34 6.02 0.31 -1.75 117.38 131.25 1k2i n GLN 73 Ca -0.10 0.21 0.12 0.00 -0.01 0.00 0.00 57.00 57.22 1k2i n GLN 73 Cb 0.43 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.32 1k2i n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1k2i n GLY 74 N -0.24 0.50 3.88 1.08 0.00 -1.26 -4.93 105.19 104.22 1k2i n GLY 74 Ca 0.05 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.09 1k2i n GLY 74 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1k2i s SER 75 N -2.18 6.53 0.00 1.61 0.15 -0.72 -4.99 113.70 114.10 1k2i s SER 75 Ca 0.26 0.61 0.10 0.00 0.70 0.00 0.00 55.95 57.62 1k2i s SER 75 Cb 0.19 -2.11 0.12 0.00 -1.71 0.00 0.00 66.02 62.52 1k2i s SER 75 CO 0.40 0.24 0.91 -1.54 1.20 0.00 0.00 173.24 174.45 1k2i n SER 76 N 1.08 2.06 -1.05 5.45 3.41 -1.26 -4.53 113.62 118.77 1k2i n SER 76 Ca -0.11 -1.54 0.11 0.00 -0.26 0.00 0.00 58.87 57.07 1k2i n SER 76 Cb 0.53 -0.04 0.18 0.00 -0.26 0.00 0.00 64.21 64.61 1k2i n SER 76 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k2i n SER 77 N 0.55 3.27 -4.78 4.04 3.41 -1.26 -4.95 113.62 113.91 1k2i n SER 77 Ca 0.07 -1.96 -0.39 0.00 -0.26 0.00 0.00 58.87 56.33 1k2i n SER 77 Cb 0.29 -0.19 -0.06 0.00 -0.26 0.00 0.00 64.21 63.99 1k2i n SER 77 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1k2i s GLU 78 N -1.51 4.49 -1.08 4.33 2.02 -1.26 -4.98 118.70 120.71 1k2i s GLU 78 Ca 0.34 1.06 -0.19 0.00 0.02 0.00 0.00 54.97 56.21 1k2i s GLU 78 Cb 0.21 -3.28 0.10 0.00 0.10 0.00 0.00 34.13 31.26 1k2i s GLU 78 CO 0.29 0.53 1.39 0.15 0.02 0.00 0.00 175.26 177.64 1k2i s LYS 79 N -0.92 3.76 0.42 1.61 1.02 -1.26 -4.98 119.74 119.39 1k2i s LYS 79 Ca 0.35 -1.77 0.05 0.00 0.02 0.00 0.00 55.97 54.62 1k2i s LYS 79 Cb -0.22 -5.19 0.01 0.00 -0.52 0.00 0.00 37.83 31.91 1k2i s LYS 79 CO 0.24 -1.99 0.59 0.96 -0.92 0.00 0.00 175.35 174.23 1k2i s ILE 80 N 3.44 3.48 -0.18 2.17 -4.36 -1.26 -4.89 121.20 119.60 1k2i s ILE 80 Ca 0.42 -0.85 0.01 0.00 -0.26 0.00 0.00 60.65 59.97 1k2i s ILE 80 Cb -0.01 -3.22 0.02 0.00 1.25 0.00 0.00 42.46 40.50 1k2i s ILE 80 CO -0.05 -0.11 -0.19 -1.10 0.24 0.00 0.00 174.94 173.73 1k2i s GLN 81 N -4.40 2.90 -0.43 0.37 -0.21 -0.37 -4.99 119.66 112.53 1k2i s GLN 81 Ca 0.51 -0.81 -0.15 0.00 0.02 0.00 0.00 55.36 54.93 1k2i s GLN 81 Cb -0.10 -2.52 0.05 0.00 1.00 0.00 0.00 33.01 31.43 1k2i s GLN 81 CO 0.34 -0.22 0.33 0.15 -2.12 0.00 0.00 175.29 173.77 1k2i s LYS 82 N 1.31 2.94 -0.16 2.91 1.02 -1.26 -1.00 119.74 125.50 1k2i s LYS 82 Ca 0.05 -1.19 -0.06 0.00 0.02 0.00 0.00 55.97 54.79 1k2i s LYS 82 Cb -0.13 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.13 1k2i s LYS 82 CO -0.13 -0.87 0.04 -0.51 -0.92 0.00 0.00 175.35 172.96 1k2i s LEU 83 N 1.64 3.74 0.52 3.17 1.43 0.11 -4.95 118.68 124.34 1k2i s LEU 83 Ca 0.04 0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 53.06 1k2i s LEU 83 Cb -0.21 -1.92 -0.08 0.00 0.03 0.00 0.00 46.19 44.01 1k2i s LEU 83 CO 0.08 0.22 0.99 -0.54 0.23 0.00 0.00 176.35 177.34 1k2i s LYS 84 N 0.06 3.88 -0.23 1.70 1.02 -1.26 -1.31 119.74 123.61 1k2i s LYS 84 Ca 0.04 1.01 -0.09 0.00 0.02 0.00 0.00 55.97 56.95 1k2i s LYS 84 Cb -0.12 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.02 1k2i s LYS 84 CO 0.01 -0.33 0.11 0.42 -0.92 0.00 0.00 175.35 174.64 1k2i s ILE 85 N -2.56 4.88 -0.10 2.17 1.01 -1.26 -1.74 121.20 123.60 1k2i s ILE 85 Ca 0.60 0.01 -0.22 0.00 0.00 0.00 0.00 60.65 61.04 1k2i s ILE 85 Cb -0.11 -3.26 -0.27 0.00 0.01 0.00 0.00 42.46 38.83 1k2i s ILE 85 CO 0.31 0.37 0.69 0.00 0.00 0.00 0.00 174.94 176.30 1k2i h ALA 86 N 7.53 0.05 -2.52 9.38 0.00 -0.65 -3.44 119.26 129.61 1k2i h ALA 86 Ca -0.37 -0.82 -0.12 0.00 0.00 0.00 0.00 54.91 53.60 1k2i h ALA 86 Cb 1.17 0.26 -0.20 0.00 0.00 0.00 0.00 17.79 19.02 1k2i h ALA 86 CO 0.64 0.45 -0.26 0.21 0.00 0.00 0.00 179.25 180.29 1k2i s LYS 87 N -2.38 0.66 -0.22 0.00 2.20 -1.10 -5.00 119.74 113.90 1k2i s LYS 87 Ca -0.18 -0.11 -0.04 0.00 -0.36 0.00 0.00 55.97 55.27 1k2i s LYS 87 Cb 0.01 0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1k2i s LYS 87 CO 0.75 -0.18 -0.02 0.08 -0.36 0.00 0.00 175.35 175.62 1k2i s VAL 88 N -1.19 3.62 -0.50 4.02 1.01 -1.26 -1.67 120.40 124.42 1k2i s VAL 88 Ca -0.12 -0.41 -0.06 0.00 0.00 0.00 0.00 61.98 61.38 1k2i s VAL 88 Cb -0.05 -2.65 0.13 0.00 0.00 0.00 0.00 36.38 33.81 1k2i s VAL 88 CO 0.04 0.41 0.34 -0.36 0.00 0.00 0.00 175.10 175.54 1k2i s PHE 89 N 1.38 3.50 -0.16 5.22 0.40 0.19 -5.00 117.98 123.50 1k2i s PHE 89 Ca 0.05 -2.23 -0.22 0.00 -0.60 0.00 0.00 56.93 53.93 1k2i s PHE 89 Cb -0.14 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 39.99 1k2i s PHE 89 CO -0.01 -0.96 0.66 0.21 0.70 0.00 0.00 175.22 175.82 1k2i s LYS 90 N 0.94 4.27 -0.02 0.44 2.20 -1.26 -0.77 119.74 125.54 1k2i s LYS 90 Ca 0.09 0.71 -0.35 0.00 -0.36 0.00 0.00 55.97 56.06 1k2i s LYS 90 Cb -0.23 -3.54 -0.14 0.00 -1.51 0.00 0.00 37.83 32.41 1k2i s LYS 90 CO -0.03 -0.17 1.68 -1.71 -0.36 0.00 0.00 175.35 174.77 1k2i n ASN 91 N 4.74 2.88 0.32 1.43 2.85 -1.03 -4.82 115.26 121.63 1k2i n ASN 91 Ca -0.01 1.05 0.21 0.00 -0.11 0.00 0.00 54.58 55.71 1k2i n ASN 91 Cb 0.50 -1.32 1.09 0.00 1.24 0.00 0.00 39.78 41.29 1k2i n ASN 91 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 1k2i h SER 92 N 7.15 0.00 0.59 1.20 4.64 -1.94 -0.83 113.55 124.36 1k2i h SER 92 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1k2i h SER 92 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1k2i h SER 92 CO 0.91 0.01 -0.09 0.29 -0.87 0.00 0.00 176.83 177.08 1k2i n LYS 93 N -3.22 0.38 -1.70 4.77 5.02 -1.26 -4.87 118.16 117.27 1k2i n LYS 93 Ca -0.03 -0.08 -0.43 0.00 -2.02 0.00 0.00 58.31 55.76 1k2i n LYS 93 Cb 0.11 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 1k2i n LYS 93 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1k2i n TYR 94 N -1.24 2.62 -3.90 2.13 9.36 -0.32 -4.71 117.16 121.10 1k2i n TYR 94 Ca 0.12 0.04 -0.34 0.00 3.32 0.00 0.00 57.90 61.03 1k2i n TYR 94 Cb 0.28 -2.66 -0.13 0.00 -0.63 0.00 0.00 39.34 36.20 1k2i n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1k2i s ASN 95 N 1.56 4.97 0.58 2.98 3.84 -0.68 -4.98 114.94 123.21 1k2i s ASN 95 Ca 0.78 -1.77 0.37 0.00 0.21 0.00 0.00 52.86 52.45 1k2i s ASN 95 Cb -0.54 -1.73 1.78 0.00 -0.55 0.00 0.00 41.25 40.21 1k2i s ASN 95 CO 0.35 -0.39 2.12 0.77 -2.79 0.00 0.00 177.10 177.16 1k2i h SER 96 N 7.91 0.00 0.24 -4.21 4.64 -1.93 0.83 113.55 121.03 1k2i h SER 96 Ca -0.14 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.91 1k2i h SER 96 Cb 1.05 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.15 1k2i h SER 96 CO 0.59 0.00 -1.13 -0.07 -0.87 0.00 0.00 176.83 175.35 1k2i h LEU 97 N 0.00 0.73 -0.01 5.97 4.07 -1.97 -3.33 115.31 120.77 1k2i h LEU 97 Ca 0.00 -0.64 0.00 0.00 0.08 0.00 0.00 57.88 57.32 1k2i h LEU 97 Cb 0.29 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.80 1k2i h LEU 97 CO 0.00 1.46 -0.77 0.35 -1.08 0.00 0.00 178.44 178.39 1k2i n THR 98 N -3.75 0.00 -1.99 0.22 -2.24 -1.09 -4.98 114.28 100.45 1k2i n THR 98 Ca -0.11 -0.11 -0.17 0.00 -2.27 0.00 0.00 64.05 61.39 1k2i n THR 98 Cb 0.93 1.00 -0.03 0.00 -2.10 0.00 0.00 70.33 70.13 1k2i n THR 98 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 1k2i n ILE 99 N -1.37 -0.48 -3.10 2.28 5.41 0.29 -4.99 119.36 117.40 1k2i n ILE 99 Ca 0.03 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.45 1k2i n ILE 99 Cb 0.26 -2.18 -0.06 0.00 -0.71 0.00 0.00 39.64 36.94 1k2i n ILE 99 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1k2i s ASN 100 N -2.47 6.86 -1.24 4.38 3.04 -1.07 -4.01 114.94 120.42 1k2i s ASN 100 Ca 0.00 1.35 -0.02 0.00 0.04 0.00 0.00 52.86 54.23 1k2i s ASN 100 Cb 0.00 -2.40 0.00 0.00 -1.54 0.00 0.00 41.25 37.31 1k2i s ASN 100 CO 0.00 -0.17 1.04 0.59 -3.04 0.00 0.00 177.10 175.52 1k2i n ASN 101 N -0.15 -3.07 -3.99 -4.21 3.02 -1.26 -1.68 115.26 103.92 1k2i n ASN 101 Ca 0.03 -0.61 -0.42 0.00 -0.03 0.00 0.00 54.58 53.55 1k2i n ASN 101 Cb 0.53 -5.08 -0.01 0.00 -0.61 0.00 0.00 39.78 34.61 1k2i n ASN 101 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1k2i n ASP 102 N -3.10 4.04 -3.82 6.41 2.03 -1.26 -4.06 116.55 116.79 1k2i n ASP 102 Ca -0.22 -2.84 -0.12 0.00 0.52 0.00 0.00 54.79 52.12 1k2i n ASP 102 Cb 0.64 -1.64 -0.13 0.00 -0.72 0.00 0.00 41.12 39.27 1k2i n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1k2i s ILE 103 N 3.92 -0.01 -0.00 5.18 2.07 -1.26 -3.53 121.20 127.58 1k2i s ILE 103 Ca 0.51 0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.78 1k2i s ILE 103 Cb 0.11 -0.20 -0.00 0.00 0.13 0.00 0.00 42.46 42.50 1k2i s ILE 103 CO -0.02 0.01 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.09 1k2i s THR 104 N 0.19 0.33 -0.09 4.00 2.01 -0.24 -2.46 115.64 119.38 1k2i s THR 104 Ca -0.01 -0.21 -0.02 0.00 0.31 0.00 0.00 61.69 61.76 1k2i s THR 104 Cb -0.02 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.17 1k2i s THR 104 CO -0.00 0.07 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.23 1k2i s LEU 105 N -0.16 3.55 -0.17 4.42 1.43 0.05 -1.08 118.68 126.72 1k2i s LEU 105 Ca 0.01 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1k2i s LEU 105 Cb -0.02 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.39 1k2i s LEU 105 CO -0.00 0.36 -0.14 -0.76 0.23 0.00 0.00 176.35 176.04 1k2i s LEU 106 N -0.79 2.48 -0.27 1.79 1.43 0.46 -0.64 118.68 123.13 1k2i s LEU 106 Ca 0.12 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.57 1k2i s LEU 106 Cb -0.11 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.50 1k2i s LEU 106 CO 0.02 0.05 0.44 -0.75 0.23 0.00 0.00 176.35 176.35 1k2i s LYS 107 N 1.01 4.03 0.20 1.70 2.47 -0.67 -1.39 119.74 127.08 1k2i s LYS 107 Ca -0.01 0.16 -0.28 0.00 -1.56 0.00 0.00 55.97 54.28 1k2i s LYS 107 Cb -0.15 -3.66 -0.08 0.00 -1.46 0.00 0.00 37.83 32.48 1k2i s LYS 107 CO -0.03 -0.32 0.88 -0.51 0.16 0.00 0.00 175.35 175.53 1k2i s LEU 108 N 2.19 4.61 0.27 5.43 1.43 -0.03 0.04 118.68 132.62 1k2i s LEU 108 Ca 0.18 1.81 0.14 0.00 -1.03 0.00 0.00 54.13 55.24 1k2i s LEU 108 Cb -0.16 -3.49 0.17 0.00 0.03 0.00 0.00 46.19 42.74 1k2i s LEU 108 CO 0.10 0.15 1.49 0.77 0.23 0.00 0.00 176.35 179.08 1k2i h SER 109 N 4.41 0.00 -3.13 2.29 4.64 -1.63 -3.42 113.55 116.71 1k2i h SER 109 Ca -0.45 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.25 1k2i h SER 109 Cb 1.20 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.93 1k2i h SER 109 CO 0.68 0.58 -0.83 0.28 -0.87 0.00 0.00 176.83 176.66 1k2i s THR 110 N -3.09 1.64 0.39 2.95 -1.32 -1.26 -5.01 115.64 109.94 1k2i s THR 110 Ca 0.02 -0.69 -0.27 0.00 -1.21 0.00 0.00 61.69 59.54 1k2i s THR 110 Cb 0.09 -1.54 -0.10 0.00 -1.51 0.00 0.00 72.50 69.44 1k2i s THR 110 CO 0.75 0.45 1.42 0.00 -2.21 0.00 0.00 174.62 175.03 1k2i s ALA 111 N 1.46 3.45 0.58 11.08 0.00 -1.26 -4.75 121.76 132.31 1k2i s ALA 111 Ca 0.05 1.46 -0.17 0.00 0.00 0.00 0.00 51.96 53.29 1k2i s ALA 111 Cb -0.13 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.38 1k2i s ALA 111 CO -0.11 -0.99 1.08 0.00 0.00 0.00 0.00 175.76 175.74 1k2i s ALA 112 N -1.16 2.70 -0.42 0.00 0.00 0.26 -5.00 121.76 118.14 1k2i s ALA 112 Ca 0.54 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.96 1k2i s ALA 112 Cb -0.44 -3.28 0.07 0.00 0.00 0.00 0.00 23.12 19.47 1k2i s ALA 112 CO 0.58 -0.81 0.28 0.45 0.00 0.00 0.00 175.76 176.26 1k2i s SER 113 N -2.35 5.76 0.35 0.00 0.15 -1.26 -4.83 113.70 111.51 1k2i s SER 113 Ca 0.67 -1.37 -0.28 0.00 0.70 0.00 0.00 55.95 55.67 1k2i s SER 113 Cb -0.19 -2.03 -0.10 0.00 -1.71 0.00 0.00 66.02 61.99 1k2i s SER 113 CO 0.32 -0.53 1.31 -0.36 1.20 0.00 0.00 173.24 175.18 1k2i s PHE 114 N 1.49 2.99 0.00 3.44 0.40 -1.26 -4.80 117.98 120.25 1k2i s PHE 114 Ca 0.03 1.41 0.00 0.00 -0.60 0.00 0.00 56.93 57.77 1k2i s PHE 114 Cb -0.23 -3.69 0.00 0.00 0.51 0.00 0.00 43.02 39.61 1k2i s PHE 114 CO 0.04 -1.93 0.00 -1.13 0.70 0.00 0.00 175.22 172.89 1k2i n SER 115 N 0.67 0.00 0.24 1.36 3.41 0.20 -4.94 113.62 114.56 1k2i n SER 115 Ca 0.01 -0.14 0.11 0.00 -0.26 0.00 0.00 58.87 58.58 1k2i n SER 115 Cb 0.42 0.00 0.59 0.00 -0.26 0.00 0.00 64.21 64.96 1k2i n SER 115 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1k2i h GLN 116 N 0.00 0.00 -0.02 4.33 4.15 -1.98 -3.07 115.11 118.52 1k2i h GLN 116 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1k2i h GLN 116 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1k2i h GLN 116 CO 0.00 0.19 0.00 0.25 -1.93 0.00 0.00 178.83 177.34 1k2i n THR 117 N -3.57 0.01 -3.68 2.39 -2.24 -1.26 -4.27 114.28 101.65 1k2i n THR 117 Ca -0.01 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.02 1k2i n THR 117 Cb 0.33 1.23 -0.17 0.00 -2.10 0.00 0.00 70.33 69.62 1k2i n THR 117 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k2i s VAL 118 N -0.94 0.14 0.38 2.28 1.01 -1.16 -4.38 120.40 117.73 1k2i s VAL 118 Ca 0.13 -0.08 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 1k2i s VAL 118 Cb 0.09 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.94 1k2i s VAL 118 CO 0.14 -0.06 0.73 -1.54 0.00 0.00 0.00 175.10 174.37 1k2i n SER 119 N 5.20 -2.13 -4.92 3.32 3.41 -1.06 -0.63 113.62 116.82 1k2i n SER 119 Ca -0.07 -2.59 -0.29 0.00 -0.26 0.00 0.00 58.87 55.66 1k2i n SER 119 Cb 0.49 3.58 -0.04 0.00 -0.26 0.00 0.00 64.21 67.98 1k2i n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k2i s ALA 120 N -2.14 3.93 0.29 7.33 0.00 -1.26 -2.87 121.76 127.04 1k2i s ALA 120 Ca 0.17 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.28 1k2i s ALA 120 Cb -0.04 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1k2i s ALA 120 CO 0.13 0.66 0.50 0.54 0.00 0.00 0.00 175.76 177.58 1k2i s VAL 121 N -1.66 5.12 0.33 0.00 0.11 -0.81 -0.81 120.40 122.68 1k2i s VAL 121 Ca 0.36 -0.33 -0.11 0.00 -2.93 0.00 0.00 61.98 58.97 1k2i s VAL 121 Cb -0.12 -3.80 -0.07 0.00 -1.53 0.00 0.00 36.38 30.86 1k2i s VAL 121 CO 0.28 -0.39 0.69 0.00 -3.33 0.00 0.00 175.10 172.35 1k2i s LEU 123 N -3.31 3.92 0.69 0.00 1.43 -1.26 -0.33 118.68 119.82 1k2i s LEU 123 Ca 0.51 0.08 -0.06 0.00 -1.03 0.00 0.00 54.13 53.63 1k2i s LEU 123 Cb -0.10 -2.49 0.06 0.00 0.03 0.00 0.00 46.19 43.69 1k2i s LEU 123 CO 0.24 0.20 0.99 -2.16 0.23 0.00 0.00 176.35 175.86 1k2i s PRO 124 N -2.19 2.19 0.34 1.29 0.04 -1.26 -4.89 135.00 130.52 1k2i s PRO 124 Ca 0.28 -0.33 -0.13 0.00 0.04 0.00 0.00 61.00 60.86 1k2i s PRO 124 Cb -0.12 -2.20 -0.08 0.00 0.04 0.00 0.00 34.50 32.14 1k2i s PRO 124 CO 0.20 -1.21 0.73 -1.12 0.04 0.00 0.00 177.00 175.64 1k2i s SER 125 N -4.52 6.67 0.56 6.66 0.01 -1.26 -4.94 113.70 116.87 1k2i s SER 125 Ca 0.60 1.19 0.26 0.00 1.31 0.00 0.00 55.95 59.31 1k2i s SER 125 Cb -0.10 -2.34 1.49 0.00 0.21 0.00 0.00 66.02 65.27 1k2i s SER 125 CO 0.44 -0.26 2.04 0.00 0.41 0.00 0.00 173.24 175.87 1k2i h ALA 126 N 1.93 2.16 -0.06 1.44 0.00 -1.94 -0.27 119.26 122.52 1k2i h ALA 126 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1k2i h ALA 126 Cb 1.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k2i h ALA 126 CO 0.65 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.31 1k2i n SER 127 N -4.11 1.92 -4.77 0.00 3.41 -1.26 -4.80 113.62 104.01 1k2i n SER 127 Ca 0.05 -1.66 -0.40 0.00 -0.26 0.00 0.00 58.87 56.60 1k2i n SER 127 Cb 0.46 -0.03 -0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1k2i n SER 127 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1k2i s ASP 128 N -1.91 6.35 -0.13 4.04 1.01 -0.11 -5.01 116.67 120.91 1k2i s ASP 128 Ca 0.35 2.85 0.01 0.00 0.71 0.00 0.00 52.55 56.47 1k2i s ASP 128 Cb 0.20 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.47 1k2i s ASP 128 CO 0.32 -0.85 -0.16 -0.62 0.21 0.00 0.00 175.17 174.07 1k2i s ASP 129 N -0.43 3.75 -0.32 0.27 2.15 -1.26 -4.96 116.67 115.87 1k2i s ASP 129 Ca 0.54 -0.40 0.02 0.00 0.43 0.00 0.00 52.55 53.14 1k2i s ASP 129 Cb -0.42 -1.56 0.09 0.00 -0.30 0.00 0.00 42.92 40.73 1k2i s ASP 129 CO 0.56 0.15 0.04 -0.36 -0.17 0.00 0.00 175.17 175.39 1k2i s PHE 130 N 0.44 3.05 0.61 -5.34 0.40 -1.26 -5.11 117.98 110.76 1k2i s PHE 130 Ca -0.12 -2.50 -0.18 0.00 -0.60 0.00 0.00 56.93 53.53 1k2i s PHE 130 Cb -0.16 -2.41 -0.03 0.00 0.51 0.00 0.00 43.02 40.93 1k2i s PHE 130 CO 0.05 -0.91 1.21 0.00 0.70 0.00 0.00 175.22 176.28 1k2i s ALA 131 N 1.15 2.51 0.41 5.36 0.00 -1.26 -4.98 121.76 124.95 1k2i s ALA 131 Ca 0.08 1.01 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 1k2i s ALA 131 Cb -0.19 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.39 1k2i s ALA 131 CO -0.12 -1.23 1.35 0.00 0.00 0.00 0.00 175.76 175.76 1k2i s ALA 132 N -1.62 3.29 0.00 0.00 0.00 -1.26 -2.28 121.76 119.90 1k2i s ALA 132 Ca 0.77 1.33 0.00 0.00 0.00 0.00 0.00 51.96 54.06 1k2i s ALA 132 Cb -0.31 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1k2i s ALA 132 CO 0.34 -0.94 0.00 0.41 0.00 0.00 0.00 175.76 175.58 1k2i n GLY 133 N 0.63 3.40 3.75 0.00 0.00 0.56 -4.95 105.19 108.58 1k2i n GLY 133 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1k2i n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k2i s THR 134 N -2.95 2.39 -0.21 2.61 2.01 -0.96 -4.64 115.64 113.88 1k2i s THR 134 Ca 0.00 0.33 -0.16 0.00 0.31 0.00 0.00 61.69 62.17 1k2i s THR 134 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1k2i s THR 134 CO 0.00 0.06 0.41 -0.89 -0.69 0.00 0.00 174.62 173.51 1k2i s THR 135 N -0.15 5.18 0.09 -0.82 2.01 -1.26 -1.19 115.64 119.51 1k2i s THR 135 Ca 0.60 0.72 0.00 0.00 0.31 0.00 0.00 61.69 63.32 1k2i s THR 135 Cb -0.44 -3.74 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 1k2i s THR 135 CO 0.47 0.23 0.01 0.00 -0.69 0.00 0.00 174.62 174.64 1k2i s VAL 137 N -1.48 0.66 0.06 0.00 1.01 0.35 -1.15 120.40 119.85 1k2i s VAL 137 Ca 0.01 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.40 1k2i s VAL 137 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.74 1k2i s VAL 137 CO 0.01 -0.02 -0.16 0.28 0.00 0.00 0.00 175.10 175.21 1k2i s THR 138 N -0.63 1.29 0.10 3.92 -1.32 -0.62 -0.21 115.64 118.17 1k2i s THR 138 Ca -0.01 -1.24 0.01 0.00 -1.21 0.00 0.00 61.69 59.24 1k2i s THR 138 Cb -0.06 -1.19 -0.04 0.00 -1.51 0.00 0.00 72.50 69.70 1k2i s THR 138 CO 0.00 -0.07 -0.05 0.42 -2.21 0.00 0.00 174.62 172.71 1k2i s THR 139 N -1.06 0.59 0.00 5.08 -4.23 -1.20 -1.74 115.64 113.08 1k2i s THR 139 Ca 0.02 -1.92 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1k2i s THR 139 Cb -0.09 -1.70 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1k2i s THR 139 CO 0.02 -0.85 0.00 0.61 -0.54 0.00 0.00 174.62 173.86 1k2i n GLY 140 N -0.04 0.68 1.25 3.99 0.00 -0.79 -4.41 105.19 105.88 1k2i n GLY 140 Ca -0.12 -1.16 -0.01 0.00 0.00 0.00 0.00 46.02 44.73 1k2i n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1k2i n TRP 141 N -0.88 1.37 -1.33 1.61 8.01 -1.26 -1.84 117.44 123.13 1k2i n TRP 141 Ca 0.00 -1.28 -0.29 0.00 -1.31 0.00 0.00 57.50 54.63 1k2i n TRP 141 Cb 0.00 -0.48 0.17 0.00 -2.01 0.00 0.00 31.31 28.98 1k2i n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1k2i s GLY 142 N -2.00 1.57 0.32 6.99 0.00 -1.25 -4.08 107.32 108.87 1k2i s GLY 142 Ca 0.46 -0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.39 1k2i s GLY 142 CO 0.06 0.11 1.08 1.04 0.00 0.00 0.00 173.10 175.39 1k2i n LEU 143 N -4.07 2.34 -0.38 0.66 4.77 -0.02 -2.48 117.00 117.82 1k2i n LEU 143 Ca 0.07 1.17 0.11 0.00 -0.03 0.00 0.00 56.01 57.32 1k2i n LEU 143 Cb 0.58 -1.35 -0.03 0.00 -2.33 0.00 0.00 43.42 40.30 1k2i n LEU 143 CO 0.56 -1.17 0.22 0.35 -1.33 0.00 0.00 177.39 176.02 1k2i n THR 144 N 0.17 0.00 -3.65 -5.08 -2.24 -1.25 -0.88 114.28 101.35 1k2i n THR 144 Ca 0.08 -0.21 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1k2i n THR 144 Cb 0.34 1.20 -0.08 0.00 -2.10 0.00 0.00 70.33 69.69 1k2i n THR 144 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1k2i s ARG 145 N -2.56 0.72 -0.89 -0.78 3.52 -1.26 -4.01 118.95 113.69 1k2i s ARG 145 Ca 0.16 1.07 -0.13 0.00 -0.13 0.00 0.00 55.73 56.70 1k2i s ARG 145 Cb 0.17 0.23 0.23 0.00 -1.56 0.00 0.00 34.95 34.02 1k2i s ARG 145 CO 0.63 -0.13 0.85 -0.47 -0.81 0.00 0.00 175.30 175.37 1k2i s TYR 146 N 1.08 3.85 0.14 5.12 5.04 -1.26 -5.11 117.35 126.21 1k2i s TYR 146 Ca -0.06 -2.12 0.10 0.00 -2.44 0.00 0.00 57.07 52.56 1k2i s TYR 146 Cb -0.05 -3.84 -0.04 0.00 0.35 0.00 0.00 41.96 38.38 1k2i s TYR 146 CO -0.11 -1.00 -0.22 0.95 -1.34 0.00 0.00 175.55 173.83 1k2i s THR 151 N -0.04 2.54 0.57 4.34 -4.23 -1.26 -5.14 115.64 112.42 1k2i s THR 151 Ca 0.21 -1.72 -0.19 0.00 -1.18 0.00 0.00 61.69 58.81 1k2i s THR 151 Cb -0.10 -2.17 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1k2i s THR 151 CO -0.09 0.04 1.19 -2.16 -0.54 0.00 0.00 174.62 173.06 1k2i s PRO 152 N -2.26 3.12 0.10 3.99 0.04 -1.26 -4.97 135.00 133.76 1k2i s PRO 152 Ca 0.17 1.77 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 1k2i s PRO 152 Cb -0.10 -1.97 -0.14 0.00 0.04 0.00 0.00 34.50 32.33 1k2i s PRO 152 CO 0.09 -1.08 1.32 -0.44 0.04 0.00 0.00 177.00 176.93 1k2i h ASP 153 N 1.03 0.92 -2.86 6.66 3.32 -1.93 -3.46 116.42 120.09 1k2i h ASP 153 Ca -0.50 -0.60 -0.63 0.00 0.02 0.00 0.00 57.03 55.31 1k2i h ASP 153 Cb 1.29 -0.27 -0.06 0.00 0.22 0.00 0.00 39.33 40.51 1k2i h ASP 153 CO 0.56 1.37 -0.32 -0.13 -1.72 0.00 0.00 179.24 178.99 1k2i s ARG 154 N -3.84 3.71 0.14 3.56 0.52 -1.26 -0.53 118.95 121.24 1k2i s ARG 154 Ca -0.11 0.17 -0.34 0.00 -0.52 0.00 0.00 55.73 54.93 1k2i s ARG 154 Cb 0.09 -3.19 -0.14 0.00 0.52 0.00 0.00 34.95 32.23 1k2i s ARG 154 CO 0.89 0.72 1.61 -0.11 0.02 0.00 0.00 175.30 178.44 1k2i n LEU 155 N 1.82 3.17 -4.82 2.53 7.94 -0.76 -4.89 117.00 121.98 1k2i n LEU 155 Ca -0.16 1.07 -0.23 0.00 -1.11 0.00 0.00 56.01 55.58 1k2i n LEU 155 Cb 0.53 -1.43 -0.05 0.00 0.53 0.00 0.00 43.42 43.01 1k2i n LEU 155 CO 0.35 -0.25 -0.18 -1.10 -1.11 0.00 0.00 177.39 175.10 1k2i s GLN 156 N 1.23 2.93 0.06 1.96 -1.52 -0.77 -1.48 119.66 122.07 1k2i s GLN 156 Ca 0.80 -1.00 -0.02 0.00 -1.95 0.00 0.00 55.36 53.18 1k2i s GLN 156 Cb -0.67 -2.59 -0.03 0.00 -0.22 0.00 0.00 33.01 29.50 1k2i s GLN 156 CO 0.39 0.42 0.01 1.14 -0.25 0.00 0.00 175.29 177.00 1k2i s GLN 157 N -3.65 0.65 -0.27 2.91 -2.07 0.77 -1.88 119.66 116.11 1k2i s GLN 157 Ca 0.32 -1.16 -0.24 0.00 -1.82 0.00 0.00 55.36 52.46 1k2i s GLN 157 Cb -0.08 0.23 0.08 0.00 -1.09 0.00 0.00 33.01 32.15 1k2i s GLN 157 CO 0.25 -0.14 0.78 0.00 -1.32 0.00 0.00 175.29 174.86 1k2i s ALA 158 N -3.86 -1.84 0.06 2.60 0.00 -0.71 -0.81 121.76 117.20 1k2i s ALA 158 Ca 0.06 2.05 -0.13 0.00 0.00 0.00 0.00 51.96 53.94 1k2i s ALA 158 Cb 0.07 -1.28 -0.06 0.00 0.00 0.00 0.00 23.12 21.86 1k2i s ALA 158 CO -0.10 -0.32 0.44 -1.12 0.00 0.00 0.00 175.76 174.65 1k2i s SER 159 N 0.53 6.77 0.02 0.00 0.01 -1.26 -1.59 113.70 118.18 1k2i s SER 159 Ca -0.01 0.94 -0.25 0.00 1.31 0.00 0.00 55.95 57.94 1k2i s SER 159 Cb -0.05 -2.24 0.06 0.00 0.21 0.00 0.00 66.02 64.00 1k2i s SER 159 CO -0.03 0.23 0.56 -1.48 0.41 0.00 0.00 173.24 172.93 1k2i s LEU 160 N -1.52 -0.25 0.31 2.44 2.34 -0.30 -4.94 118.68 116.76 1k2i s LEU 160 Ca 0.30 0.33 -0.12 0.00 0.06 0.00 0.00 54.13 54.70 1k2i s LEU 160 Cb -0.16 2.24 -0.08 0.00 -0.56 0.00 0.00 46.19 47.64 1k2i s LEU 160 CO 0.16 -0.69 0.67 -2.16 -1.06 0.00 0.00 176.35 173.28 1k2i s PRO 161 N -2.08 3.86 0.27 1.48 0.04 -1.26 -0.63 135.00 136.68 1k2i s PRO 161 Ca -0.07 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 1k2i s PRO 161 Cb -0.01 -2.50 -0.08 0.00 0.04 0.00 0.00 34.50 31.95 1k2i s PRO 161 CO 0.01 0.16 0.70 -0.51 0.04 0.00 0.00 177.00 177.41 1k2i s LEU 162 N -3.17 4.17 0.36 -3.56 1.43 -0.33 -1.60 118.68 115.98 1k2i s LEU 162 Ca 0.51 1.26 0.09 0.00 -1.03 0.00 0.00 54.13 54.96 1k2i s LEU 162 Cb -0.11 -3.84 -0.06 0.00 0.03 0.00 0.00 46.19 42.21 1k2i s LEU 162 CO 0.23 -0.10 0.01 -0.76 0.23 0.00 0.00 176.35 175.96 1k2i s LEU 163 N -2.61 2.94 0.33 1.79 1.43 -0.43 -0.33 118.68 121.79 1k2i s LEU 163 Ca 0.49 -1.09 -0.08 0.00 -1.03 0.00 0.00 54.13 52.42 1k2i s LEU 163 Cb -0.12 -1.24 -0.06 0.00 0.03 0.00 0.00 46.19 44.80 1k2i s LEU 163 CO 0.19 -0.30 0.64 -0.94 0.23 0.00 0.00 176.35 176.17 1k2i s SER 164 N -3.72 6.50 0.38 2.29 1.04 -1.26 -4.43 113.70 114.50 1k2i s SER 164 Ca 0.35 0.91 0.07 0.00 0.48 0.00 0.00 55.95 57.76 1k2i s SER 164 Cb 0.02 -2.23 0.75 0.00 0.10 0.00 0.00 66.02 64.67 1k2i s SER 164 CO 0.19 -0.26 1.95 0.78 0.98 0.00 0.00 173.24 176.88 1k2i h ASN 165 N 1.63 0.40 -0.11 7.02 4.21 -1.95 0.18 115.58 126.96 1k2i h ASN 165 Ca -0.47 -0.05 -0.00 0.00 1.21 0.00 0.00 56.30 56.98 1k2i h ASN 165 Cb 1.19 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 38.28 1k2i h ASN 165 CO 0.66 0.43 0.05 0.74 -1.29 0.00 0.00 177.43 178.01 1k2i h THR 166 N 0.43 1.13 0.00 2.81 2.02 -2.00 -1.85 112.91 115.44 1k2i h THR 166 Ca 0.10 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.82 1k2i h THR 166 Cb 0.21 1.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.79 1k2i h THR 166 CO 0.00 0.11 -0.43 -1.13 0.37 0.00 0.00 175.52 174.44 1k2i h ASN 167 N 0.04 0.00 0.11 4.18 -1.24 -1.86 -2.88 115.58 113.93 1k2i h ASN 167 Ca 0.04 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.94 1k2i h ASN 167 Cb 0.13 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 1k2i h ASN 167 CO -0.00 0.43 -0.36 0.00 -1.29 0.00 0.00 177.43 176.21 1k2i h LYS 169 N 0.30 0.00 0.00 0.00 1.57 -1.11 0.16 116.57 117.49 1k2i h LYS 169 Ca 0.03 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1k2i h LYS 169 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.09 1k2i h LYS 169 CO 0.06 0.00 -0.04 0.87 -0.57 0.00 0.00 179.45 179.78 1k2i h LYS 170 N 0.00 0.00 0.00 3.15 1.57 -1.55 0.46 116.57 120.20 1k2i h LYS 170 Ca 0.00 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.35 1k2i h LYS 170 Cb 0.13 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.37 1k2i h LYS 170 CO 0.00 0.04 -2.39 0.66 -0.57 0.00 0.00 179.45 177.19 1k2i n TYR 171 N -3.20 0.14 0.58 -1.35 4.01 0.47 -4.71 117.16 113.10 1k2i n TYR 171 Ca -0.01 0.06 0.07 0.00 -0.16 0.00 0.00 57.90 57.86 1k2i n TYR 171 Cb 0.24 -1.01 0.07 0.00 -0.31 0.00 0.00 39.34 38.32 1k2i n TYR 171 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 1k2i n TRP 172 N -4.13 0.02 -3.01 -0.72 7.02 -0.64 -5.08 117.44 110.90 1k2i n TRP 172 Ca -0.51 -0.02 0.00 0.00 -1.02 0.00 0.00 57.50 55.95 1k2i n TRP 172 Cb 0.88 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.77 1k2i n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k2i n GLY 173 N 0.83 3.16 0.00 6.99 0.00 0.16 -2.45 105.19 113.88 1k2i n GLY 173 Ca 0.09 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 45.95 1k2i n GLY 173 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1k2i n THR 174 N 0.00 0.00 0.37 2.61 -2.24 -1.26 -3.21 114.28 110.55 1k2i n THR 174 Ca 0.00 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.92 1k2i n THR 174 Cb 0.00 -0.54 0.46 0.00 -2.10 0.00 0.00 70.33 68.15 1k2i n THR 174 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1k2i h LYS 175 N 0.00 0.00 -6.03 -0.78 1.57 -1.89 -3.42 116.57 106.02 1k2i h LYS 175 Ca 0.00 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1k2i h LYS 175 Cb 0.00 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.22 1k2i h LYS 175 CO 0.00 0.00 0.58 0.42 -0.57 0.00 0.00 179.45 179.88 1k2i s ILE 176 N -3.35 4.62 0.44 1.86 -1.09 -1.20 -5.02 121.20 117.47 1k2i s ILE 176 Ca 0.05 1.22 0.08 0.00 -2.23 0.00 0.00 60.65 59.77 1k2i s ILE 176 Cb 0.09 -4.30 0.01 0.00 -1.58 0.00 0.00 42.46 36.67 1k2i s ILE 176 CO 0.54 -0.48 0.49 -0.54 -1.23 0.00 0.00 174.94 173.73 1k2i s LYS 177 N 3.38 2.59 0.50 2.79 -0.14 -1.26 -5.03 119.74 122.58 1k2i s LYS 177 Ca 0.37 -1.48 0.21 0.00 -1.36 0.00 0.00 55.97 53.71 1k2i s LYS 177 Cb -0.12 -2.52 1.31 0.00 -1.68 0.00 0.00 37.83 34.81 1k2i s LYS 177 CO 0.17 -0.33 2.09 -0.44 -0.76 0.00 0.00 175.35 176.08 1k2i h ASP 178 N 0.77 0.00 -0.37 2.83 5.19 -2.00 -2.36 116.42 120.49 1k2i h ASP 178 Ca -0.39 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 55.94 1k2i h ASP 178 Cb 1.28 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.74 1k2i h ASP 178 CO 0.51 0.10 0.10 0.00 -3.12 0.00 0.00 179.24 176.84 1k2i n ALA 179 N -2.42 3.51 -2.46 3.45 0.00 -1.26 -4.85 120.51 116.48 1k2i n ALA 179 Ca -0.02 -1.18 -0.21 0.00 0.00 0.00 0.00 53.44 52.02 1k2i n ALA 179 Cb 0.19 -1.12 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 1k2i n ALA 179 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1k2i s MET 180 N -1.90 1.22 -0.04 0.00 -1.94 -0.89 -0.85 119.30 114.90 1k2i s MET 180 Ca 0.30 -1.37 -0.03 0.00 -1.71 0.00 0.00 55.69 52.88 1k2i s MET 180 Cb 0.23 -1.25 0.02 0.00 2.01 0.00 0.00 34.83 35.84 1k2i s MET 180 CO 0.08 0.25 0.10 -1.50 -0.01 0.00 0.00 175.02 173.94 1k2i s ILE 181 N -2.04 -0.01 0.12 2.53 2.07 0.20 -4.65 121.20 119.42 1k2i s ILE 181 Ca 0.14 0.04 0.03 0.00 -1.41 0.00 0.00 60.65 59.45 1k2i s ILE 181 Cb -0.06 -0.16 -0.04 0.00 0.13 0.00 0.00 42.46 42.34 1k2i s ILE 181 CO 0.06 0.02 0.18 0.00 -1.91 0.00 0.00 174.94 173.28 1k2i s ALA 183 N -1.62 -1.58 0.00 0.00 0.00 -0.80 -1.32 121.76 116.45 1k2i s ALA 183 Ca 0.32 1.15 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1k2i s ALA 183 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1k2i s ALA 183 CO 0.25 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.08 1k2i n GLY 184 N 1.04 0.25 2.48 0.00 0.00 -0.63 -0.17 105.19 108.16 1k2i n GLY 184 Ca -0.19 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 43.81 1k2i n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2i n ALA 185 N -0.57 -0.45 -0.13 4.61 0.00 -1.21 -4.65 120.51 118.10 1k2i n ALA 185 Ca 0.00 0.25 0.03 0.00 0.00 0.00 0.00 53.44 53.72 1k2i n ALA 185 Cb 0.00 -2.06 0.08 0.00 0.00 0.00 0.00 19.45 17.47 1k2i n ALA 185 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1k2i n SER 186 N -1.61 2.47 0.00 0.00 3.41 -1.19 -4.75 113.62 111.95 1k2i n SER 186 Ca -0.22 -2.05 0.00 0.00 -0.26 0.00 0.00 58.87 56.34 1k2i n SER 186 Cb 0.67 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 1k2i n SER 186 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k2i n GLY 187 N -0.08 0.80 3.29 5.00 0.00 -0.62 -5.07 105.19 108.51 1k2i n GLY 187 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1k2i n GLY 187 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k2i s VAL 188 N -2.00 0.83 -0.22 1.61 -7.23 -1.26 -4.73 120.40 107.40 1k2i s VAL 188 Ca 0.00 -2.01 -0.26 0.00 -1.81 0.00 0.00 61.98 57.90 1k2i s VAL 188 Cb 0.00 -2.26 0.08 0.00 0.56 0.00 0.00 36.38 34.76 1k2i s VAL 188 CO 0.00 -0.37 0.77 -0.55 -0.31 0.00 0.00 175.10 174.64 1k2i s SER 189 N -3.24 -0.67 0.67 4.85 0.15 -1.04 -4.26 113.70 110.16 1k2i s SER 189 Ca 0.27 1.17 -0.12 0.00 0.70 0.00 0.00 55.95 57.96 1k2i s SER 189 Cb 0.06 1.14 0.00 0.00 -1.71 0.00 0.00 66.02 65.51 1k2i s SER 189 CO 0.07 -0.31 1.06 -0.44 1.20 0.00 0.00 173.24 174.82 1k2i s SER 190 N -0.03 5.40 0.36 5.45 0.01 -1.26 0.05 113.70 123.69 1k2i s SER 190 Ca -0.02 1.69 -0.02 0.00 1.31 0.00 0.00 55.95 58.92 1k2i s SER 190 Cb -0.04 -2.51 0.01 0.00 0.21 0.00 0.00 66.02 63.69 1k2i s SER 190 CO 0.02 -1.43 0.49 0.00 0.41 0.00 0.00 173.24 172.73 1k2i n MET 192 N -0.59 1.39 0.00 0.00 2.81 -1.26 -1.10 117.12 118.37 1k2i n MET 192 Ca 0.01 0.50 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 1k2i n MET 192 Cb 0.61 -2.17 0.00 0.00 -0.71 0.00 0.00 33.22 30.96 1k2i n MET 192 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1k2i n GLY 193 N 2.70 1.79 0.12 3.03 0.00 -1.26 -0.84 105.19 110.73 1k2i n GLY 193 Ca 0.18 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1k2i n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k2i h ASP 194 N 0.00 0.00 -2.12 1.61 3.32 -1.43 -3.32 116.42 114.48 1k2i h ASP 194 Ca 0.00 -0.03 -0.62 0.00 0.02 0.00 0.00 57.03 56.40 1k2i h ASP 194 Cb 0.00 0.00 0.11 0.00 0.22 0.00 0.00 39.33 39.66 1k2i h ASP 194 CO 0.00 0.02 -0.05 -1.20 -1.72 0.00 0.00 179.24 176.29 1k2i n SER 195 N -2.64 0.60 0.00 6.45 7.64 -1.26 -1.55 113.62 122.86 1k2i n SER 195 Ca 0.01 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1k2i n SER 195 Cb 0.53 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 1k2i n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2i n GLY 196 N 1.43 3.17 3.62 0.23 0.00 -0.34 -0.05 105.19 113.25 1k2i n GLY 196 Ca 0.12 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 1k2i n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1k2i s GLY 197 N -1.81 1.57 0.27 -0.02 0.00 -0.60 -3.52 107.32 103.22 1k2i s GLY 197 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 44.72 43.91 1k2i s GLY 197 CO 0.00 0.05 0.58 2.56 0.00 0.00 0.00 173.10 176.29 1k2i s PRO 198 N -5.23 3.74 -0.24 2.90 0.04 -1.26 -1.29 135.00 133.66 1k2i s PRO 198 Ca 0.69 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.94 1k2i s PRO 198 Cb -0.13 -2.62 0.06 0.00 0.04 0.00 0.00 34.50 31.86 1k2i s PRO 198 CO 0.57 0.24 -0.04 -1.17 0.04 0.00 0.00 177.00 176.64 1k2i s LEU 199 N -3.18 2.57 0.06 -3.56 2.96 -0.42 -3.25 118.68 113.87 1k2i s LEU 199 Ca 0.47 -1.22 0.08 0.00 -0.22 0.00 0.00 54.13 53.24 1k2i s LEU 199 Cb -0.11 -1.15 -0.03 0.00 0.50 0.00 0.00 46.19 45.40 1k2i s LEU 199 CO 0.25 -0.26 -0.22 0.68 -1.32 0.00 0.00 176.35 175.49 1k2i s VAL 200 N 1.41 2.54 0.02 1.68 -7.23 0.71 -1.26 120.40 118.27 1k2i s VAL 200 Ca -0.04 -1.36 0.05 0.00 -1.81 0.00 0.00 61.98 58.82 1k2i s VAL 200 Cb -0.19 -2.07 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 1k2i s VAL 200 CO -0.07 0.28 -0.16 0.00 -0.31 0.00 0.00 175.10 174.84 1k2i s LYS 202 N -0.84 4.38 -0.12 0.00 2.20 -1.26 -0.86 119.74 123.24 1k2i s LYS 202 Ca 0.05 1.25 -0.01 0.00 -0.36 0.00 0.00 55.97 56.90 1k2i s LYS 202 Cb -0.07 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.73 1k2i s LYS 202 CO 0.01 -0.31 -0.05 0.21 -0.36 0.00 0.00 175.35 174.85 1k2i s LYS 203 N 2.04 1.23 -1.47 4.03 2.47 0.12 -4.80 119.74 123.35 1k2i s LYS 203 Ca 0.44 -0.22 -0.11 0.00 -1.56 0.00 0.00 55.97 54.53 1k2i s LYS 203 Cb -0.18 -1.54 0.06 0.00 -1.46 0.00 0.00 37.83 34.72 1k2i s LYS 203 CO 0.16 -0.33 0.86 0.09 0.16 0.00 0.00 175.35 176.29 1k2i n ASN 204 N 4.99 -5.05 0.00 1.43 3.02 -1.26 -1.96 115.26 116.42 1k2i n ASN 204 Ca -0.11 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1k2i n ASN 204 Cb 0.49 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.61 1k2i n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k2i n GLY 205 N -1.61 1.66 3.31 7.41 0.00 -1.26 -5.04 105.19 109.66 1k2i n GLY 205 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 1k2i n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2i s ALA 206 N -2.73 2.06 -0.06 4.61 0.00 -0.83 -4.88 121.76 119.93 1k2i s ALA 206 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.47 1k2i s ALA 206 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.67 1k2i s ALA 206 CO 0.00 0.48 1.19 -1.58 0.00 0.00 0.00 175.76 175.85 1k2i s TRP 207 N -0.81 3.20 -0.05 0.00 0.52 -0.18 -0.70 118.94 120.92 1k2i s TRP 207 Ca 0.10 1.23 0.05 0.00 0.02 0.00 0.00 56.10 57.49 1k2i s TRP 207 Cb -0.10 -3.41 -0.02 0.00 -1.15 0.00 0.00 33.47 28.79 1k2i s TRP 207 CO 0.02 -1.28 -0.18 0.99 0.02 0.00 0.00 176.95 176.52 1k2i s THR 208 N 2.23 2.69 -0.48 2.01 2.01 -0.04 -2.52 115.64 121.54 1k2i s THR 208 Ca 0.55 -0.85 -0.29 0.00 0.31 0.00 0.00 61.69 61.42 1k2i s THR 208 Cb -0.24 -2.03 0.02 0.00 0.01 0.00 0.00 72.50 70.25 1k2i s THR 208 CO 0.22 0.58 1.32 -0.22 -0.69 0.00 0.00 174.62 175.82 1k2i s LEU 209 N -0.51 3.54 -0.20 4.42 2.96 0.55 -1.63 118.68 127.81 1k2i s LEU 209 Ca 0.07 0.52 0.17 0.00 -0.22 0.00 0.00 54.13 54.66 1k2i s LEU 209 Cb -0.11 -3.39 -0.24 0.00 0.50 0.00 0.00 46.19 42.94 1k2i s LEU 209 CO 0.01 -1.46 0.06 0.52 -1.32 0.00 0.00 176.35 174.16 1k2i n VAL 210 N 6.93 1.40 -3.97 1.68 0.31 -0.39 -4.30 118.33 119.99 1k2i n VAL 210 Ca 0.13 -0.84 -0.09 0.00 -0.01 0.00 0.00 64.34 63.54 1k2i n VAL 210 Cb 0.49 -0.55 -0.08 0.00 -0.91 0.00 0.00 33.84 32.79 1k2i n VAL 210 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1k2i s GLY 211 N -5.56 0.44 -0.12 2.92 0.00 -0.76 -1.85 107.32 102.39 1k2i s GLY 211 Ca -0.12 -0.93 0.02 0.00 0.00 0.00 0.00 44.72 43.69 1k2i s GLY 211 CO 0.81 -0.95 -0.17 -0.42 0.00 0.00 0.00 173.10 172.37 1k2i s ILE 212 N -3.94 1.64 -0.11 0.90 1.01 -0.90 -1.30 121.20 118.49 1k2i s ILE 212 Ca 0.14 -0.72 -0.36 0.00 0.00 0.00 0.00 60.65 59.71 1k2i s ILE 212 Cb 0.05 -1.49 -0.13 0.00 0.01 0.00 0.00 42.46 40.90 1k2i s ILE 212 CO -0.04 0.47 1.79 0.52 0.00 0.00 0.00 174.94 177.67 1k2i n VAL 213 N 4.24 0.42 0.01 2.92 0.31 -0.41 -0.70 118.33 125.11 1k2i n VAL 213 Ca -0.19 -0.07 -0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1k2i n VAL 213 Cb 0.51 -1.59 -0.00 0.00 -0.91 0.00 0.00 33.84 31.85 1k2i n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1k2i n SER 214 N 5.76 0.26 -3.08 4.52 2.88 -0.88 -1.20 113.62 121.87 1k2i n SER 214 Ca 0.23 0.03 -0.11 0.00 -1.33 0.00 0.00 58.87 57.69 1k2i n SER 214 Cb 0.24 -0.10 -0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1k2i n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1k2i s TRP 215 N -1.24 0.52 -2.13 0.66 1.48 -0.58 -4.93 118.94 112.74 1k2i s TRP 215 Ca -0.00 -1.00 0.00 0.00 -1.06 0.00 0.00 56.10 54.03 1k2i s TRP 215 Cb 0.00 0.44 0.00 0.00 -1.16 0.00 0.00 33.47 32.75 1k2i s TRP 215 CO 0.00 -1.38 0.00 0.41 -4.06 0.00 0.00 176.95 171.93 1k2i n GLY 216 N -0.54 -0.58 3.65 3.67 0.00 -1.26 -0.08 105.19 110.04 1k2i n GLY 216 Ca -0.04 -0.70 -0.47 0.00 0.00 0.00 0.00 46.02 44.81 1k2i n GLY 216 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1k2i n SER 217 N 0.00 2.61 0.28 1.61 2.88 -1.26 -4.86 113.62 114.87 1k2i n SER 217 Ca 0.00 1.12 0.19 0.00 -1.33 0.00 0.00 58.87 58.84 1k2i n SER 217 Cb 0.00 -1.38 0.96 0.00 -0.75 0.00 0.00 64.21 63.04 1k2i n SER 217 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1k2i h SER 218 N 4.86 0.00 -0.28 -3.46 4.64 -2.00 -1.08 113.55 116.23 1k2i h SER 218 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1k2i h SER 218 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1k2i h SER 218 CO 0.81 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 177.12 1k2i n THR 219 N -2.85 0.94 -3.75 2.95 -2.24 -1.26 -4.98 114.28 103.10 1k2i n THR 219 Ca -0.02 -0.97 -0.27 0.00 -2.27 0.00 0.00 64.05 60.53 1k2i n THR 219 Cb 0.11 0.54 0.05 0.00 -2.10 0.00 0.00 70.33 68.93 1k2i n THR 219 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1k2i s SER 221 N -3.41 6.38 0.00 0.00 0.15 -1.26 -4.78 113.70 110.78 1k2i s SER 221 Ca 0.57 2.87 0.29 0.00 0.70 0.00 0.00 55.95 60.38 1k2i s SER 221 Cb -0.27 -2.60 1.76 0.00 -1.71 0.00 0.00 66.02 63.20 1k2i s SER 221 CO 0.78 -0.97 2.11 0.35 1.20 0.00 0.00 173.24 176.71 1k2i n THR 222 N 3.99 0.00 0.76 6.45 -2.24 -1.26 -2.79 114.28 119.19 1k2i n THR 222 Ca 0.16 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 62.03 1k2i n THR 222 Cb 0.35 -0.51 0.04 0.00 -2.10 0.00 0.00 70.33 68.12 1k2i n THR 222 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k2i n SER 223 N -0.98 2.17 -4.50 3.42 7.64 -1.26 -1.59 113.62 118.52 1k2i n SER 223 Ca 0.22 -1.58 -0.33 0.00 1.01 0.00 0.00 58.87 58.19 1k2i n SER 223 Cb 0.10 0.21 -0.13 0.00 -1.01 0.00 0.00 64.21 63.38 1k2i n SER 223 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1k2i s THR 224 N -1.73 3.16 0.42 0.44 2.01 -1.12 -4.69 115.64 114.12 1k2i s THR 224 Ca 0.18 -0.77 -0.24 0.00 0.31 0.00 0.00 61.69 61.18 1k2i s THR 224 Cb 0.15 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 70.30 1k2i s THR 224 CO 0.32 0.54 1.08 -2.16 -0.69 0.00 0.00 174.62 173.71 1k2i s PRO 225 N -0.92 4.05 0.43 4.92 0.04 -1.26 -3.32 135.00 138.94 1k2i s PRO 225 Ca 0.13 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 1k2i s PRO 225 Cb -0.11 -2.50 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1k2i s PRO 225 CO 0.02 -0.26 0.76 0.20 0.04 0.00 0.00 177.00 177.77 1k2i s GLY 226 N -1.51 1.78 -0.12 0.56 0.00 0.76 -4.63 107.32 104.16 1k2i s GLY 226 Ca 0.59 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.99 1k2i s GLY 226 CO 0.30 -0.15 -0.14 0.14 0.00 0.00 0.00 173.10 173.24 1k2i s VAL 227 N -2.49 2.97 0.14 1.40 1.01 0.88 -1.90 120.40 122.41 1k2i s VAL 227 Ca 0.49 -0.69 0.09 0.00 0.00 0.00 0.00 61.98 61.88 1k2i s VAL 227 Cb -0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1k2i s VAL 227 CO 0.36 0.53 -0.22 -0.31 0.00 0.00 0.00 175.10 175.46 1k2i s TYR 228 N 0.30 2.00 0.10 5.22 1.51 0.20 -1.52 117.35 125.16 1k2i s TYR 228 Ca -0.11 -0.41 -0.31 0.00 -1.01 0.00 0.00 57.07 55.23 1k2i s TYR 228 Cb -0.16 -1.04 -0.07 0.00 -0.11 0.00 0.00 41.96 40.58 1k2i s TYR 228 CO 0.06 0.32 1.28 0.00 -1.11 0.00 0.00 175.55 176.10 1k2i s ALA 229 N -1.48 3.48 -0.62 3.71 0.00 0.12 -0.63 121.76 126.35 1k2i s ALA 229 Ca 0.13 0.98 -0.28 0.00 0.00 0.00 0.00 51.96 52.80 1k2i s ALA 229 Cb -0.08 -3.48 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1k2i s ALA 229 CO 0.06 -0.50 1.20 0.50 0.00 0.00 0.00 175.76 177.02 1k2i s ARG 230 N 0.86 3.41 0.41 0.00 3.52 -0.03 -2.11 118.95 125.00 1k2i s ARG 230 Ca 0.60 0.07 0.09 0.00 -0.13 0.00 0.00 55.73 56.36 1k2i s ARG 230 Cb -0.33 -4.06 0.89 0.00 -1.56 0.00 0.00 34.95 29.89 1k2i s ARG 230 CO 0.31 -1.79 2.03 0.28 -0.81 0.00 0.00 175.30 175.32 1k2i h VAL 231 N 6.11 1.05 0.00 7.11 2.07 -1.66 -2.06 116.25 128.87 1k2i h VAL 231 Ca -0.26 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1k2i h VAL 231 Cb 1.06 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1k2i h VAL 231 CO 1.20 0.10 -0.04 0.71 0.02 0.00 0.00 177.57 179.56 1k2i h THR 232 N 0.54 0.77 -0.00 2.57 1.35 -1.87 0.22 112.91 116.48 1k2i h THR 232 Ca 0.19 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1k2i h THR 232 Cb 0.10 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.62 1k2i h THR 232 CO -0.05 0.04 -0.21 0.00 -0.25 0.00 0.00 175.52 175.05 1k2i n ALA 233 N -2.41 2.92 -0.00 6.62 0.00 -0.78 -4.03 120.51 122.83 1k2i n ALA 233 Ca -0.03 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1k2i n ALA 233 Cb 0.13 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1k2i n ALA 233 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1k2i n LEU 234 N -1.20 0.06 0.19 0.00 4.77 -0.13 -4.75 117.00 115.94 1k2i n LEU 234 Ca 0.10 -0.52 0.06 0.00 -0.03 0.00 0.00 56.01 55.62 1k2i n LEU 234 Cb 0.31 0.00 0.53 0.00 -2.33 0.00 0.00 43.42 41.93 1k2i n LEU 234 CO 0.28 0.02 1.00 1.62 -1.33 0.00 0.00 177.39 178.97 1k2i h VAL 235 N 0.00 1.09 -0.83 4.08 3.04 -0.80 -2.10 116.25 120.72 1k2i h VAL 235 Ca 0.00 -0.36 -0.04 0.00 -1.01 0.00 0.00 66.70 65.29 1k2i h VAL 235 Cb 0.00 1.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.33 1k2i h VAL 235 CO 0.00 0.11 0.38 0.78 -1.01 0.00 0.00 177.57 177.83 1k2i h ASN 236 N 0.11 1.11 -0.56 3.17 -0.26 -1.85 -0.42 115.58 116.88 1k2i h ASN 236 Ca 0.03 -0.15 -0.09 0.00 -0.56 0.00 0.00 56.30 55.53 1k2i h ASN 236 Cb 0.16 -0.29 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 1k2i h ASN 236 CO 0.01 0.95 -0.01 -0.25 -1.06 0.00 0.00 177.43 177.07 1k2i h TRP 237 N 1.20 1.08 -0.40 1.19 7.01 -1.73 -1.53 115.95 122.77 1k2i h TRP 237 Ca 0.28 -0.19 0.00 0.00 2.11 0.00 0.00 58.89 61.10 1k2i h TRP 237 Cb 0.15 -0.28 -0.02 0.00 -2.10 0.00 0.00 29.16 26.91 1k2i h TRP 237 CO 0.02 0.98 0.26 0.28 -2.79 0.00 0.00 178.44 177.19 1k2i h VAL 238 N 0.87 1.10 -0.39 2.65 2.07 -0.96 -1.04 116.25 120.56 1k2i h VAL 238 Ca 0.16 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1k2i h VAL 238 Cb 0.55 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1k2i h VAL 238 CO 0.03 0.10 0.26 -0.61 0.02 0.00 0.00 177.57 177.37 1k2i h GLN 239 N 0.54 0.51 -0.48 1.57 5.75 -0.90 -1.75 115.11 120.35 1k2i h GLN 239 Ca 0.15 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 1k2i h GLN 239 Cb -0.06 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.35 1k2i h GLN 239 CO -0.03 0.34 0.29 1.96 -2.65 0.00 0.00 178.83 178.73 1k2i h GLN 240 N 0.53 0.66 -0.37 1.69 1.08 -1.03 -2.15 115.11 115.53 1k2i h GLN 240 Ca 0.14 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 1k2i h GLN 240 Cb -0.06 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.22 1k2i h GLN 240 CO -0.03 0.49 0.17 1.15 -0.95 0.00 0.00 178.83 179.66 1k2i h THR 241 N 0.64 1.17 -0.58 -0.54 2.02 -0.94 -1.86 112.91 112.83 1k2i h THR 241 Ca 0.17 -0.49 -0.06 0.00 0.77 0.00 0.00 66.41 66.80 1k2i h THR 241 Cb 0.01 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1k2i h THR 241 CO -0.03 0.18 0.10 -0.07 0.37 0.00 0.00 175.52 176.07 1k2i h LEU 242 N 0.45 0.87 -0.85 2.58 4.07 -1.25 -2.42 115.31 118.76 1k2i h LEU 242 Ca 0.13 -0.18 -0.10 0.00 0.08 0.00 0.00 57.88 57.80 1k2i h LEU 242 Cb 0.13 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 1k2i h LEU 242 CO -0.01 0.87 -0.22 0.00 -1.08 0.00 0.00 178.44 177.99 1k2i h ALA 243 N 1.24 1.02 -0.01 1.53 0.00 -1.17 -3.08 119.26 118.78 1k2i h ALA 243 Ca 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1k2i h ALA 243 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1k2i h ALA 243 CO 0.01 0.58 -0.09 0.00 0.00 0.00 0.00 179.25 179.75 1k2i n ALA 244 N -2.49 2.74 -0.81 0.00 0.00 -0.72 -5.11 120.51 114.13 1k2i n ALA 244 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1k2i n ALA 244 Cb 0.41 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.71 1k2i n ALA 244 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59