#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kjs h LEU 3 N 0.00 0.00 -2.94 -3.43 4.07 -2.08 -2.81 115.31 108.12 3kjs h LEU 3 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3kjs h LEU 3 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 3kjs h LEU 3 CO 0.00 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.85 3kjs n PHE 4 N -3.06 0.36 -2.29 1.13 3.01 -1.26 -5.01 117.46 110.33 3kjs n PHE 4 Ca 0.00 -0.54 -0.25 0.00 1.01 0.00 0.00 57.45 57.67 3kjs n PHE 4 Cb 0.27 -0.06 0.07 0.00 -0.01 0.00 0.00 39.48 39.76 3kjs n PHE 4 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kjs s LYS 5 N -1.17 2.15 -0.32 -1.08 1.02 -1.06 -5.04 119.74 114.24 3kjs s LYS 5 Ca 0.18 -0.41 -0.10 0.00 0.02 0.00 0.00 55.97 55.65 3kjs s LYS 5 Cb 0.11 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 35.18 3kjs s LYS 5 CO 0.11 -1.22 0.18 0.42 -0.92 0.00 0.00 175.35 173.92 3kjs s ILE 6 N -3.19 4.80 0.14 2.17 1.01 -1.26 -5.02 121.20 119.85 3kjs s ILE 6 Ca 0.61 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 60.61 3kjs s ILE 6 Cb -0.10 -3.45 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 3kjs s ILE 6 CO 0.44 0.05 1.22 -0.60 0.00 0.00 0.00 174.94 176.05 3kjs s ARG 7 N 1.65 4.45 0.55 2.79 3.52 -1.26 -0.71 118.95 129.94 3kjs s ARG 7 Ca 0.05 1.87 -0.15 0.00 -0.13 0.00 0.00 55.73 57.37 3kjs s ARG 7 Cb -0.17 -3.27 -0.07 0.00 -1.56 0.00 0.00 34.95 29.88 3kjs s ARG 7 CO 0.07 -0.18 1.00 -1.64 -0.81 0.00 0.00 175.30 173.74 3kjs s MET 8 N 0.34 3.82 0.80 5.12 -1.94 0.16 -4.86 119.30 122.73 3kjs s MET 8 Ca 0.56 0.90 -0.12 0.00 -1.71 0.00 0.00 55.69 55.32 3kjs s MET 8 Cb -0.32 -2.11 0.08 0.00 2.01 0.00 0.00 34.83 34.48 3kjs s MET 8 CO 0.33 -0.38 1.15 -2.14 -0.01 0.00 0.00 175.02 173.97 3kjs s PRO 9 N -4.40 1.83 0.49 2.03 0.02 -1.26 -4.94 135.00 128.77 3kjs s PRO 9 Ca 0.58 1.50 0.28 0.00 0.02 0.00 0.00 61.00 63.38 3kjs s PRO 9 Cb -0.10 -1.82 0.87 0.00 0.02 0.00 0.00 34.50 33.46 3kjs s PRO 9 CO 0.38 -2.02 1.80 1.05 -0.33 0.00 0.00 177.00 177.89 3kjs h GLU 10 N -1.04 0.00 -4.51 5.54 9.09 -1.97 -3.46 114.58 118.24 3kjs h GLU 10 Ca -0.45 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 58.68 3kjs h GLU 10 Cb 1.26 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 28.14 3kjs h GLU 10 CO 0.48 0.02 -0.74 0.99 0.05 0.00 0.00 179.01 179.81 3kjs s THR 11 N -3.45 0.50 0.71 -1.06 2.01 -1.26 -5.15 115.64 107.94 3kjs s THR 11 Ca 0.04 -0.95 -0.15 0.00 0.31 0.00 0.00 61.69 60.94 3kjs s THR 11 Cb 0.07 -0.56 0.03 0.00 0.01 0.00 0.00 72.50 72.05 3kjs s THR 11 CO 0.61 -0.32 1.16 0.68 -0.69 0.00 0.00 174.62 176.06 3kjs s VAL 12 N -1.20 2.70 0.52 3.82 -7.23 -1.26 -4.85 120.40 112.89 3kjs s VAL 12 Ca -0.09 0.33 -0.23 0.00 -1.81 0.00 0.00 61.98 60.19 3kjs s VAL 12 Cb -0.09 -2.84 -0.06 0.00 0.56 0.00 0.00 36.38 33.95 3kjs s VAL 12 CO 0.00 -0.20 1.36 0.00 -0.31 0.00 0.00 175.10 175.95 3kjs s ALA 13 N -2.18 2.91 0.20 1.32 0.00 -1.26 -4.93 121.76 117.82 3kjs s ALA 13 Ca 0.71 1.33 -0.32 0.00 0.00 0.00 0.00 51.96 53.67 3kjs s ALA 13 Cb -0.25 -3.56 -0.12 0.00 0.00 0.00 0.00 23.12 19.19 3kjs s ALA 13 CO 0.45 -1.29 1.71 -0.85 0.00 0.00 0.00 175.76 175.78 3kjs n GLU 14 N -0.82 2.70 0.00 0.00 0.28 -1.26 -2.79 120.64 118.74 3kjs n GLU 14 Ca 0.09 0.97 0.00 0.00 -0.16 0.00 0.00 57.16 58.06 3kjs n GLU 14 Cb 0.45 -2.81 0.00 0.00 1.43 0.00 0.00 31.44 30.50 3kjs n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kjs n GLY 15 N 3.91 3.13 3.67 -1.84 0.00 -1.26 -4.83 105.19 107.98 3kjs n GLY 15 Ca 0.16 0.00 -0.53 0.00 0.00 0.00 0.00 46.02 45.66 3kjs n GLY 15 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kjs n THR 16 N -1.25 0.27 -1.75 2.61 -2.24 -1.12 -4.95 114.28 105.86 3kjs n THR 16 Ca 0.00 -0.05 -0.30 0.00 -2.27 0.00 0.00 64.05 61.43 3kjs n THR 16 Cb 0.00 -1.34 0.06 0.00 -2.10 0.00 0.00 70.33 66.95 3kjs n THR 16 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kjs s ARG 17 N 2.70 2.64 0.46 -0.78 0.52 -1.26 -5.06 118.95 118.17 3kjs s ARG 17 Ca 0.92 0.57 -0.14 0.00 -0.52 0.00 0.00 55.73 56.55 3kjs s ARG 17 Cb -0.90 -1.99 -0.07 0.00 0.52 0.00 0.00 34.95 32.50 3kjs s ARG 17 CO 0.55 -1.21 0.89 -1.17 0.02 0.00 0.00 175.30 174.37 3kjs s LEU 18 N -5.51 3.73 0.41 2.53 0.20 -1.26 -5.03 118.68 113.75 3kjs s LEU 18 Ca 0.59 1.38 -0.27 0.00 0.69 0.00 0.00 54.13 56.52 3kjs s LEU 18 Cb -0.12 -4.28 -0.09 0.00 -0.43 0.00 0.00 46.19 41.26 3kjs s LEU 18 CO 0.53 -0.49 1.43 0.00 -0.29 0.00 0.00 176.35 177.53 3kjs s ALA 19 N -2.49 3.39 -0.03 5.97 0.00 -1.26 -5.03 121.76 122.31 3kjs s ALA 19 Ca 0.55 1.48 0.01 0.00 0.00 0.00 0.00 51.96 54.00 3kjs s ALA 19 Cb -0.10 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3kjs s ALA 19 CO 0.31 -1.07 -0.01 -0.51 0.00 0.00 0.00 175.76 174.47 3kjs s LEU 20 N -2.39 1.26 0.43 0.00 1.43 -1.26 -4.19 118.68 113.96 3kjs s LEU 20 Ca 0.57 -0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 53.38 3kjs s LEU 20 Cb -0.44 -0.26 -0.08 0.00 0.03 0.00 0.00 46.19 45.44 3kjs s LEU 20 CO 0.58 -0.08 1.17 -0.13 0.23 0.00 0.00 176.35 178.12 3kjs s ARG 21 N 0.92 3.89 0.51 1.70 1.81 -0.54 -4.97 118.95 122.27 3kjs s ARG 21 Ca -0.10 1.81 -0.19 0.00 -1.72 0.00 0.00 55.73 55.54 3kjs s ARG 21 Cb -0.13 -2.53 -0.07 0.00 -0.45 0.00 0.00 34.95 31.76 3kjs s ARG 21 CO -0.01 -0.45 1.03 0.00 -0.68 0.00 0.00 175.30 175.19 3kjs s ALA 22 N -1.48 2.87 0.10 2.13 0.00 -1.26 -4.92 121.76 119.20 3kjs s ALA 22 Ca 0.60 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.99 3kjs s ALA 22 Cb -0.30 -3.22 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 3kjs s ALA 22 CO 0.37 -0.40 0.11 -0.59 0.00 0.00 0.00 175.76 175.25 3kjs s PHE 23 N -2.22 0.45 0.14 0.00 -0.71 -0.83 -4.32 117.98 110.50 3kjs s PHE 23 Ca 0.65 -0.90 0.06 0.00 -1.04 0.00 0.00 56.93 55.70 3kjs s PHE 23 Cb -0.15 -0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.38 3kjs s PHE 23 CO 0.25 -0.52 -0.02 -1.12 -1.34 0.00 0.00 175.22 172.48 3kjs s SER 24 N -2.94 4.79 -0.15 1.98 0.01 0.37 -0.08 113.70 117.70 3kjs s SER 24 Ca 0.12 -0.32 -0.03 0.00 1.31 0.00 0.00 55.95 57.03 3kjs s SER 24 Cb 0.06 -1.05 -0.03 0.00 0.21 0.00 0.00 66.02 65.22 3kjs s SER 24 CO -0.06 0.13 -0.05 -0.22 0.41 0.00 0.00 173.24 173.45 3kjs s LEU 25 N -2.61 3.20 -0.10 2.44 0.20 0.16 0.35 118.68 122.32 3kjs s LEU 25 Ca 0.26 -0.13 0.04 0.00 0.69 0.00 0.00 54.13 54.98 3kjs s LEU 25 Cb -0.10 -1.76 -0.00 0.00 -0.43 0.00 0.00 46.19 43.89 3kjs s LEU 25 CO 0.18 0.19 -0.24 -0.69 -0.29 0.00 0.00 176.35 175.50 3kjs s VAL 26 N 0.25 2.10 -0.05 1.68 1.01 -0.22 0.07 120.40 125.25 3kjs s VAL 26 Ca -0.03 -1.01 -0.17 0.00 0.00 0.00 0.00 61.98 60.76 3kjs s VAL 26 Cb -0.14 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.48 3kjs s VAL 26 CO 0.03 0.56 0.39 0.54 0.00 0.00 0.00 175.10 176.62 3kjs s VAL 27 N 0.29 0.04 -0.15 2.92 0.11 -0.57 -4.43 120.40 118.61 3kjs s VAL 27 Ca -0.17 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 3kjs s VAL 27 Cb -0.18 -0.66 0.00 0.00 -1.53 0.00 0.00 36.38 34.01 3kjs s VAL 27 CO 0.08 -0.16 -0.19 0.00 -3.33 0.00 0.00 175.10 171.50 3kjs s ALA 28 N -0.94 2.36 0.16 1.54 0.00 -1.26 -0.72 121.76 122.90 3kjs s ALA 28 Ca -0.10 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 50.87 3kjs s ALA 28 Cb -0.04 -1.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 3kjs s ALA 28 CO 0.04 -0.03 -0.18 0.14 0.00 0.00 0.00 175.76 175.74 3kjs s VAL 29 N 0.81 1.77 0.55 0.00 -7.23 0.73 -4.57 120.40 112.46 3kjs s VAL 29 Ca -0.06 -1.92 -0.05 0.00 -1.81 0.00 0.00 61.98 58.14 3kjs s VAL 29 Cb -0.15 -1.83 0.12 0.00 0.56 0.00 0.00 36.38 35.07 3kjs s VAL 29 CO -0.01 -0.34 0.75 -0.90 -0.31 0.00 0.00 175.10 174.29 3kjs n ASP 30 N 0.27 0.52 0.26 4.85 5.68 -0.47 0.18 116.55 127.83 3kjs n ASP 30 Ca -0.13 -1.55 0.14 0.00 -0.50 0.00 0.00 54.79 52.75 3kjs n ASP 30 Cb 0.57 -0.53 0.63 0.00 -1.14 0.00 0.00 41.12 40.65 3kjs n ASP 30 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 3kjs h GLU 31 N 0.00 0.00 -0.52 0.11 5.08 -1.67 -1.66 114.58 115.92 3kjs h GLU 31 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3kjs h GLU 31 Cb 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3kjs h GLU 31 CO 0.22 0.10 0.00 0.54 -1.00 0.00 0.00 179.01 178.86 3kjs n ARG 32 N -3.26 2.27 -0.98 2.33 1.74 -1.26 -4.93 116.66 112.56 3kjs n ARG 32 Ca 0.00 -1.97 0.00 0.00 -0.77 0.00 0.00 57.85 55.11 3kjs n ARG 32 Cb 0.34 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.34 3kjs n ARG 32 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjs n GLY 33 N 1.38 0.43 3.75 -0.13 0.00 -0.62 -4.89 105.19 105.11 3kjs n GLY 33 Ca 0.19 -0.70 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 3kjs n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kjs s GLY 34 N -2.64 3.11 0.00 -0.02 0.00 -1.26 -0.01 107.32 106.50 3kjs s GLY 34 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.37 3kjs s GLY 34 CO 0.00 1.22 0.00 0.29 0.00 0.00 0.00 173.10 174.61 3kjs n ILE 35 N 1.43 0.00 0.00 0.90 -5.35 -0.41 -1.37 119.36 114.55 3kjs n ILE 35 Ca -0.02 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 3kjs n ILE 35 Cb 0.47 0.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.01 3kjs n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kjs n GLY 36 N 2.06 0.89 0.18 3.28 0.00 -1.25 -4.63 105.19 105.73 3kjs n GLY 36 Ca 0.00 -0.83 0.14 0.00 0.00 0.00 0.00 46.02 45.33 3kjs n GLY 36 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3kjs n ASP 37 N 0.00 0.68 0.00 1.61 5.68 -0.79 -1.83 116.55 121.90 3kjs n ASP 37 Ca 0.00 -0.77 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 3kjs n ASP 37 Cb 0.00 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.97 3kjs n ASP 37 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3kjs n GLY 38 N 1.27 1.16 0.00 6.12 0.00 -1.26 -4.52 105.19 107.96 3kjs n GLY 38 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3kjs n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3kjs n ARG 39 N -0.99 4.02 -3.88 1.61 0.00 -1.26 -5.03 116.66 111.13 3kjs n ARG 39 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 57.85 57.77 3kjs n ARG 39 Cb 0.00 -0.62 -0.01 0.00 -0.00 0.00 0.00 32.46 31.83 3kjs n ARG 39 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3kjs s SER 40 N -0.62 -0.07 -0.31 2.89 1.04 -1.26 -4.49 113.70 110.88 3kjs s SER 40 Ca 0.00 -0.89 -0.13 0.00 0.48 0.00 0.00 55.95 55.41 3kjs s SER 40 Cb 0.00 0.74 -0.03 0.00 0.10 0.00 0.00 66.02 66.83 3kjs s SER 40 CO 0.00 -1.42 0.29 -0.63 0.98 0.00 0.00 173.24 172.46 3kjs s ILE 41 N -3.37 5.24 0.15 -1.02 1.01 -1.26 -1.88 121.20 120.06 3kjs s ILE 41 Ca 0.15 0.15 -0.14 0.00 0.00 0.00 0.00 60.65 60.82 3kjs s ILE 41 Cb -0.05 -3.68 0.02 0.00 0.01 0.00 0.00 42.46 38.77 3kjs s ILE 41 CO 0.10 0.09 1.68 1.55 0.00 0.00 0.00 174.94 178.36 3kjs h PRO 42 N 8.37 0.73 -7.52 2.79 0.13 -1.95 -3.45 132.00 131.10 3kjs h PRO 42 Ca -0.32 -0.15 -0.48 0.00 -0.87 0.00 0.00 66.00 64.19 3kjs h PRO 42 Cb 1.17 -0.11 0.10 0.00 0.13 0.00 0.00 31.00 32.29 3kjs h PRO 42 CO 0.63 0.68 0.38 1.67 -0.23 0.00 0.00 178.00 181.12 3kjs s TRP 43 N -5.47 2.93 -0.30 1.56 -2.14 -1.26 -5.07 118.94 109.19 3kjs s TRP 43 Ca -0.13 0.91 -0.01 0.00 2.66 0.00 0.00 56.10 59.53 3kjs s TRP 43 Cb 0.11 -3.31 0.09 0.00 -3.10 0.00 0.00 33.47 27.27 3kjs s TRP 43 CO 0.78 -1.76 0.09 1.21 -2.66 0.00 0.00 176.95 174.60 3kjs s ASN 44 N -4.30 3.91 -0.40 -2.66 2.47 -1.26 -5.08 114.94 107.63 3kjs s ASN 44 Ca 0.61 -1.54 0.01 0.00 0.42 0.00 0.00 52.86 52.37 3kjs s ASN 44 Cb -0.12 -0.84 0.12 0.00 -1.45 0.00 0.00 41.25 38.96 3kjs s ASN 44 CO 0.51 -0.40 0.19 -0.69 -3.72 0.00 0.00 177.10 173.00 3kjs s VAL 45 N 1.64 1.26 0.56 -5.21 1.01 -1.26 -4.78 120.40 113.62 3kjs s VAL 45 Ca 0.08 -2.20 0.24 0.00 0.00 0.00 0.00 61.98 60.10 3kjs s VAL 45 Cb -0.17 -1.91 0.32 0.00 0.00 0.00 0.00 36.38 34.62 3kjs s VAL 45 CO -0.23 -0.82 2.22 -0.65 0.00 0.00 0.00 175.10 175.61 3kjs h PRO 46 N 7.15 0.00 -0.09 2.72 0.11 -1.98 -1.80 132.00 138.11 3kjs h PRO 46 Ca -0.04 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.96 3kjs h PRO 46 Cb 0.96 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3kjs h PRO 46 CO 0.47 0.00 -0.42 0.93 -0.21 0.00 0.00 178.00 178.78 3kjs h GLU 47 N 0.00 0.21 -0.21 1.05 3.07 -1.99 -1.40 114.58 115.31 3kjs h GLU 47 Ca -0.00 -0.10 -0.19 0.00 -0.50 0.00 0.00 59.36 58.57 3kjs h GLU 47 Cb 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 3kjs h GLU 47 CO 0.00 0.59 -0.60 0.22 -1.40 0.00 0.00 179.01 177.82 3kjs h ASP 48 N 0.17 0.90 -0.66 1.42 3.58 -1.76 -1.71 116.42 118.37 3kjs h ASP 48 Ca 0.01 -0.58 0.09 0.00 0.42 0.00 0.00 57.03 56.97 3kjs h ASP 48 Cb 0.82 -0.26 -0.07 0.00 1.72 0.00 0.00 39.33 41.54 3kjs h ASP 48 CO 0.06 1.32 0.31 0.24 -2.88 0.00 0.00 179.24 178.29 3kjs h MET 49 N 0.53 0.53 -0.23 0.28 2.86 -1.31 0.19 114.93 117.78 3kjs h MET 49 Ca -0.02 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3kjs h MET 49 Cb 1.22 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3kjs h MET 49 CO 0.13 0.35 0.07 -0.22 1.06 0.00 0.00 176.91 178.30 3kjs h LYS 50 N 0.54 0.36 -0.48 1.72 3.64 -1.21 -1.00 116.57 120.14 3kjs h LYS 50 Ca 0.32 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3kjs h LYS 50 Cb 0.34 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3kjs h LYS 50 CO -0.26 0.45 0.30 0.35 -2.27 0.00 0.00 179.45 178.01 3kjs h PHE 51 N 0.20 0.62 -0.41 1.91 3.57 -0.79 0.25 116.94 122.30 3kjs h PHE 51 Ca 0.07 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3kjs h PHE 51 Cb 0.24 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.75 3kjs h PHE 51 CO 0.00 0.42 0.21 0.35 -2.23 0.00 0.00 178.31 177.07 3kjs h PHE 52 N 0.64 0.57 0.09 0.41 3.57 -0.55 -0.74 116.94 120.93 3kjs h PHE 52 Ca 0.17 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3kjs h PHE 52 Cb -0.02 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 3kjs h PHE 52 CO -0.03 0.46 -0.08 -0.09 -2.23 0.00 0.00 178.31 176.33 3kjs h ARG 53 N 0.52 -0.18 -0.17 1.11 2.43 -0.97 -2.75 114.38 114.37 3kjs h ARG 53 Ca 0.14 0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3kjs h ARG 53 Cb 0.09 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 3kjs h ARG 53 CO -0.02 -0.12 0.10 -0.44 -1.51 0.00 0.00 179.97 177.98 3kjs h ASP 54 N -0.19 0.21 -0.19 -3.80 3.32 -0.72 -1.81 116.42 113.25 3kjs h ASP 54 Ca 0.00 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3kjs h ASP 54 Cb 0.18 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3kjs h ASP 54 CO -0.02 0.23 -0.21 1.62 -1.72 0.00 0.00 179.24 179.13 3kjs h VAL 55 N 0.18 1.26 0.00 -1.35 3.04 -1.19 -1.92 116.25 116.28 3kjs h VAL 55 Ca 0.06 -1.26 -0.01 0.00 -1.01 0.00 0.00 66.70 64.49 3kjs h VAL 55 Cb 0.06 1.24 -0.00 0.00 -2.01 0.00 0.00 31.29 30.58 3kjs h VAL 55 CO -0.01 0.41 -0.13 0.71 -1.01 0.00 0.00 177.57 177.54 3kjs h THR 56 N 0.56 0.04 0.04 3.17 1.35 -1.40 -3.36 112.91 113.31 3kjs h THR 56 Ca 0.08 -1.06 -0.30 0.00 -0.55 0.00 0.00 66.41 64.59 3kjs h THR 56 Cb 0.67 1.97 -0.03 0.00 -1.73 0.00 0.00 68.15 69.02 3kjs h THR 56 CO 0.05 0.02 -1.62 0.41 -0.25 0.00 0.00 175.52 174.13 3kjs n THR 57 N -3.06 1.61 -2.21 6.82 -1.04 -0.69 -4.63 114.28 111.08 3kjs n THR 57 Ca 0.03 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.05 61.41 3kjs n THR 57 Cb 0.54 -1.92 -0.00 0.00 -1.82 0.00 0.00 70.33 67.13 3kjs n THR 57 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3kjs s LYS 58 N -2.44 3.61 0.33 -2.82 1.02 -0.74 -4.61 119.74 114.10 3kjs s LYS 58 Ca -0.28 1.79 0.07 0.00 0.02 0.00 0.00 55.97 57.57 3kjs s LYS 58 Cb 0.07 -2.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3kjs s LYS 58 CO 0.64 -0.68 0.28 -0.51 -0.92 0.00 0.00 175.35 174.17 3kjs s LEU 59 N -3.23 3.61 0.51 3.17 1.43 -1.26 -4.93 118.68 117.97 3kjs s LEU 59 Ca 0.66 -0.48 0.22 0.00 -1.03 0.00 0.00 54.13 53.50 3kjs s LEU 59 Cb -0.29 -2.21 1.34 0.00 0.03 0.00 0.00 46.19 45.06 3kjs s LEU 59 CO 0.34 -0.32 2.08 0.03 0.23 0.00 0.00 176.35 178.71 3kjs h ARG 60 N 1.28 0.00 -7.13 1.70 3.08 -1.97 -3.43 114.38 107.91 3kjs h ARG 60 Ca -0.45 0.00 -0.48 0.00 0.07 0.00 0.00 59.98 59.12 3kjs h ARG 60 Cb 1.25 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.35 3kjs h ARG 60 CO 0.59 0.11 0.38 0.20 -1.07 0.00 0.00 179.97 180.18 3kjs s GLY 61 N -4.17 2.35 0.03 0.04 0.00 -1.26 -4.98 107.32 99.33 3kjs s GLY 61 Ca -0.04 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.90 3kjs s GLY 61 CO 0.63 0.84 1.37 0.54 0.00 0.00 0.00 173.10 176.48 3kjs s LYS 62 N -3.59 4.31 -1.63 2.90 1.02 -1.26 -3.68 119.74 117.80 3kjs s LYS 62 Ca 0.66 1.96 -0.09 0.00 0.02 0.00 0.00 55.97 58.51 3kjs s LYS 62 Cb -0.16 -3.49 0.09 0.00 -0.52 0.00 0.00 37.83 33.75 3kjs s LYS 62 CO 0.27 -0.51 0.37 0.27 -0.92 0.00 0.00 175.35 174.83 3kjs n ASN 63 N 4.96 -0.75 -4.78 2.83 6.94 -1.26 -4.92 115.26 118.27 3kjs n ASN 63 Ca 0.12 -1.17 -0.37 0.00 -0.02 0.00 0.00 54.58 53.15 3kjs n ASN 63 Cb 0.44 -2.09 -0.07 0.00 -2.36 0.00 0.00 39.78 35.70 3kjs n ASN 63 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3kjs s VAL 64 N -3.82 5.32 -0.13 3.53 1.01 -1.24 -5.06 120.40 120.01 3kjs s VAL 64 Ca 0.34 0.47 -0.19 0.00 0.00 0.00 0.00 61.98 62.60 3kjs s VAL 64 Cb -0.20 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3kjs s VAL 64 CO 0.97 0.48 0.53 -0.75 0.00 0.00 0.00 175.10 176.33 3kjs s LYS 65 N -0.13 4.33 0.17 2.72 2.20 -1.26 -4.65 119.74 123.12 3kjs s LYS 65 Ca 0.16 0.53 -0.31 0.00 -0.36 0.00 0.00 55.97 55.98 3kjs s LYS 65 Cb -0.13 -3.47 -0.10 0.00 -1.51 0.00 0.00 37.83 32.62 3kjs s LYS 65 CO 0.05 0.07 1.57 -2.14 -0.36 0.00 0.00 175.35 174.53 3kjs s PRO 66 N 0.88 4.21 0.19 4.03 0.02 -1.26 -4.94 135.00 138.14 3kjs s PRO 66 Ca 0.28 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.67 3kjs s PRO 66 Cb -0.16 -3.15 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 3kjs s PRO 66 CO 0.11 -0.60 0.08 -1.54 -0.33 0.00 0.00 177.00 174.72 3kjs s SER 67 N 1.09 0.71 0.55 2.53 1.04 -0.66 -4.95 113.70 114.02 3kjs s SER 67 Ca 0.69 -1.30 0.32 0.00 0.48 0.00 0.00 55.95 56.15 3kjs s SER 67 Cb -0.44 0.24 1.48 0.00 0.10 0.00 0.00 66.02 67.40 3kjs s SER 67 CO 0.32 -0.72 1.85 -0.65 0.98 0.00 0.00 173.24 175.01 3kjs h PRO 68 N 2.63 0.00 -0.26 4.02 0.11 -1.95 -1.64 132.00 134.91 3kjs h PRO 68 Ca -0.37 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.55 3kjs h PRO 68 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 3kjs h PRO 68 CO 0.59 0.00 -0.59 0.00 -0.21 0.00 0.00 178.00 177.79 3kjs h ALA 69 N 1.45 0.46 -2.14 -0.75 0.00 -1.96 -3.44 119.26 112.88 3kjs h ALA 69 Ca 0.41 -0.53 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 3kjs h ALA 69 Cb 1.77 -0.07 -0.32 0.00 0.00 0.00 0.00 17.79 19.18 3kjs h ALA 69 CO -0.00 0.68 -0.53 0.21 0.00 0.00 0.00 179.25 179.61 3kjs s LYS 70 N -4.05 0.29 0.31 0.00 2.20 -0.62 -3.98 119.74 113.89 3kjs s LYS 70 Ca -0.10 0.43 -0.10 0.00 -0.36 0.00 0.00 55.97 55.84 3kjs s LYS 70 Cb 0.10 -0.71 0.01 0.00 -1.51 0.00 0.00 37.83 35.72 3kjs s LYS 70 CO 0.89 -0.63 0.55 -0.98 -0.36 0.00 0.00 175.35 174.82 3kjs s ARG 71 N 2.47 1.84 0.34 4.03 1.70 0.28 -1.66 118.95 127.94 3kjs s ARG 71 Ca 0.10 -1.48 0.04 0.00 -0.47 0.00 0.00 55.73 53.93 3kjs s ARG 71 Cb -0.15 0.50 -0.02 0.00 -0.57 0.00 0.00 34.95 34.71 3kjs s ARG 71 CO -0.14 -0.79 0.49 -0.80 -1.08 0.00 0.00 175.30 172.98 3kjs s ASN 72 N -3.11 6.06 -0.03 -2.89 0.01 -1.26 -0.89 114.94 112.83 3kjs s ASN 72 Ca 0.24 0.05 0.07 0.00 -0.71 0.00 0.00 52.86 52.50 3kjs s ASN 72 Cb -0.02 -1.54 -0.02 0.00 0.41 0.00 0.00 41.25 40.08 3kjs s ASN 72 CO 0.14 -0.39 -0.23 0.00 -1.51 0.00 0.00 177.10 175.11 3kjs s ALA 73 N -2.22 2.30 -0.16 0.60 0.00 -0.50 -1.53 121.76 120.26 3kjs s ALA 73 Ca 0.42 -1.08 -0.04 0.00 0.00 0.00 0.00 51.96 51.27 3kjs s ALA 73 Cb -0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3kjs s ALA 73 CO 0.33 0.54 -0.04 0.14 0.00 0.00 0.00 175.76 176.72 3kjs s VAL 74 N -0.64 3.87 -0.21 0.00 -7.23 -0.30 0.05 120.40 115.95 3kjs s VAL 74 Ca 0.10 -0.36 -0.06 0.00 -1.81 0.00 0.00 61.98 59.85 3kjs s VAL 74 Cb -0.10 -2.70 -0.03 0.00 0.56 0.00 0.00 36.38 34.11 3kjs s VAL 74 CO -0.01 0.49 0.03 -0.69 -0.31 0.00 0.00 175.10 174.61 3kjs s VAL 75 N 0.41 4.24 0.04 1.32 1.01 0.12 -0.25 120.40 127.29 3kjs s VAL 75 Ca -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.75 3kjs s VAL 75 Cb -0.14 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.29 3kjs s VAL 75 CO 0.03 0.41 -0.08 0.00 0.00 0.00 0.00 175.10 175.46 3kjs s MET 76 N 0.98 0.55 0.65 2.72 0.23 0.72 -1.81 119.30 123.34 3kjs s MET 76 Ca 0.03 -0.78 -0.15 0.00 -1.03 0.00 0.00 55.69 53.76 3kjs s MET 76 Cb -0.14 -0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 32.82 3kjs s MET 76 CO 0.02 0.06 1.09 0.20 -2.03 0.00 0.00 175.02 174.36 3kjs s GLY 77 N -1.60 2.10 0.26 3.16 0.00 0.12 -0.58 107.32 110.76 3kjs s GLY 77 Ca -0.09 0.47 -0.04 0.00 0.00 0.00 0.00 44.72 45.05 3kjs s GLY 77 CO 0.00 0.81 1.91 -0.09 0.00 0.00 0.00 173.10 175.74 3kjs h ARG 78 N 0.04 1.24 -0.50 2.90 2.43 -1.78 -2.12 114.38 116.59 3kjs h ARG 78 Ca -0.46 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 58.59 3kjs h ARG 78 Cb 1.24 -0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 3kjs h ARG 78 CO 0.55 0.82 0.16 0.87 -1.51 0.00 0.00 179.97 180.86 3kjs h LYS 79 N 1.28 0.73 -0.45 0.20 1.57 -1.93 0.13 116.57 118.10 3kjs h LYS 79 Ca 0.39 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.95 3kjs h LYS 79 Cb -0.03 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 3kjs h LYS 79 CO -0.12 0.63 -0.11 1.15 -0.57 0.00 0.00 179.45 180.44 3kjs h THR 80 N 0.72 1.26 -0.57 -0.16 2.02 -1.74 -1.01 112.91 113.43 3kjs h THR 80 Ca 0.17 -1.18 -0.05 0.00 0.77 0.00 0.00 66.41 66.11 3kjs h THR 80 Cb 0.21 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 3kjs h THR 80 CO -0.01 0.41 0.14 -0.25 0.37 0.00 0.00 175.52 176.18 3kjs h TRP 81 N 0.74 0.90 -0.05 3.16 2.91 -0.68 -2.69 115.95 120.24 3kjs h TRP 81 Ca 0.12 -0.09 -0.11 0.00 1.13 0.00 0.00 58.89 59.94 3kjs h TRP 81 Cb 0.60 -0.26 -0.01 0.00 -0.51 0.00 0.00 29.16 28.97 3kjs h TRP 81 CO 0.03 0.75 -0.49 -0.44 -1.03 0.00 0.00 178.44 177.26 3kjs h ASP 82 N 0.84 0.13 1.01 2.65 3.32 -0.61 -3.09 116.42 120.67 3kjs h ASP 82 Ca 0.18 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.11 3kjs h ASP 82 Cb 0.30 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kjs h ASP 82 CO -0.00 0.61 -0.30 0.77 -1.72 0.00 0.00 179.24 178.60 3kjs h SER 83 N 0.10 0.00 -2.96 6.45 4.64 -0.88 -3.42 113.55 117.47 3kjs h SER 83 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 3kjs h SER 83 Cb 0.91 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.97 3kjs h SER 83 CO 0.07 0.30 0.83 -0.63 -0.87 0.00 0.00 176.83 176.53 3kjs s ILE 84 N -3.53 4.19 0.28 0.95 1.01 -1.05 -4.99 121.20 118.06 3kjs s ILE 84 Ca 0.01 1.48 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 3kjs s ILE 84 Cb 0.10 -3.95 -0.11 0.00 0.01 0.00 0.00 42.46 38.51 3kjs s ILE 84 CO 0.67 -0.07 1.49 -2.84 0.00 0.00 0.00 174.94 174.19 3kjs s PRO 85 N 2.93 4.21 0.57 2.79 0.02 -1.26 -4.86 135.00 139.39 3kjs s PRO 85 Ca 0.57 2.41 0.37 0.00 0.02 0.00 0.00 61.00 64.37 3kjs s PRO 85 Cb -0.24 -3.07 1.48 0.00 0.02 0.00 0.00 34.50 32.69 3kjs s PRO 85 CO 0.19 -0.49 1.69 -1.35 -0.33 0.00 0.00 177.00 176.71 3kjs h PRO 86 N 4.71 0.00 0.00 5.54 0.11 -1.92 0.20 132.00 140.64 3kjs h PRO 86 Ca -0.47 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 3kjs h PRO 86 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3kjs h PRO 86 CO 0.76 0.00 -0.42 1.57 -0.21 0.00 0.00 178.00 179.70 3kjs h LYS 87 N 0.00 0.00 -0.02 1.05 2.10 -2.02 -3.18 116.57 114.50 3kjs h LYS 87 Ca 0.58 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.23 3kjs h LYS 87 Cb 2.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.86 3kjs h LYS 87 CO -0.01 0.42 -0.14 1.19 -2.00 0.00 0.00 179.45 178.92 3kjs n PHE 88 N -3.35 0.00 -4.28 0.07 3.72 0.06 -4.92 117.46 108.76 3kjs n PHE 88 Ca 0.01 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.08 3kjs n PHE 88 Cb 0.62 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 39.04 3kjs n PHE 88 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 3kjs s ARG 89 N -2.20 2.82 0.60 -1.08 1.70 -1.20 -3.82 118.95 115.77 3kjs s ARG 89 Ca 0.29 -0.59 -0.15 0.00 -0.47 0.00 0.00 55.73 54.81 3kjs s ARG 89 Cb 0.20 -2.69 -0.03 0.00 -0.57 0.00 0.00 34.95 31.86 3kjs s ARG 89 CO 0.41 0.63 1.05 -1.25 -1.08 0.00 0.00 175.30 175.06 3kjs s PRO 90 N -1.51 3.30 -0.08 3.89 0.04 -1.26 -4.97 135.00 134.40 3kjs s PRO 90 Ca 0.19 1.15 -0.29 0.00 0.04 0.00 0.00 61.00 62.09 3kjs s PRO 90 Cb -0.12 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.33 3kjs s PRO 90 CO 0.10 -0.82 1.86 -0.51 0.04 0.00 0.00 177.00 177.67 3kjs s LEU 91 N -4.64 4.13 0.56 -3.56 1.43 -1.25 -4.93 118.68 110.42 3kjs s LEU 91 Ca 0.62 2.22 -0.21 0.00 -1.03 0.00 0.00 54.13 55.73 3kjs s LEU 91 Cb -0.15 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.49 3kjs s LEU 91 CO 0.39 -1.22 1.29 -2.65 0.23 0.00 0.00 176.35 174.39 3kjs n PRO 92 N 7.68 1.51 -0.89 1.29 -0.02 -1.26 -3.30 135.00 140.01 3kjs n PRO 92 Ca 0.21 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 3kjs n PRO 92 Cb 0.43 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3kjs n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kjs n GLY 93 N 0.86 0.61 2.93 -1.23 0.00 -1.26 -4.97 105.19 102.13 3kjs n GLY 93 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 3kjs n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kjs s ARG 94 N -0.38 0.24 -0.18 1.61 0.52 -1.21 -4.34 118.95 115.21 3kjs s ARG 94 Ca 0.00 -0.21 -0.29 0.00 -0.52 0.00 0.00 55.73 54.71 3kjs s ARG 94 Cb 0.00 -0.16 -0.03 0.00 0.52 0.00 0.00 34.95 35.28 3kjs s ARG 94 CO 0.00 0.04 1.49 -1.17 0.02 0.00 0.00 175.30 175.68 3kjs s LEU 95 N -0.36 4.06 -0.41 2.53 2.96 -0.58 -4.76 118.68 122.12 3kjs s LEU 95 Ca -0.02 1.72 -0.24 0.00 -0.22 0.00 0.00 54.13 55.37 3kjs s LEU 95 Cb -0.03 -3.53 0.02 0.00 0.50 0.00 0.00 46.19 43.15 3kjs s LEU 95 CO -0.00 -1.04 0.86 0.20 -1.32 0.00 0.00 176.35 175.05 3kjs s ASN 96 N 3.28 6.53 -0.35 3.68 0.02 0.40 -1.15 114.94 127.35 3kjs s ASN 96 Ca 0.66 0.24 -0.11 0.00 -1.02 0.00 0.00 52.86 52.63 3kjs s ASN 96 Cb -0.25 -2.43 0.01 0.00 0.02 0.00 0.00 41.25 38.60 3kjs s ASN 96 CO 0.25 -0.90 0.19 -0.69 0.02 0.00 0.00 177.10 175.97 3kjs s VAL 97 N 3.43 4.66 -0.16 1.60 1.01 0.66 -1.59 120.40 130.00 3kjs s VAL 97 Ca 0.34 -0.61 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3kjs s VAL 97 Cb -0.12 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.73 3kjs s VAL 97 CO 0.21 -0.09 0.06 -0.69 0.00 0.00 0.00 175.10 174.60 3kjs s VAL 98 N 1.60 4.82 -0.25 2.92 1.01 -0.57 -0.20 120.40 129.73 3kjs s VAL 98 Ca 0.04 -0.03 -0.15 0.00 0.00 0.00 0.00 61.98 61.83 3kjs s VAL 98 Cb -0.18 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3kjs s VAL 98 CO 0.07 0.50 0.37 -0.76 0.00 0.00 0.00 175.10 175.28 3kjs s LEU 99 N 0.03 4.07 -0.28 3.92 1.43 0.25 -0.74 118.68 127.36 3kjs s LEU 99 Ca 0.06 0.34 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 3kjs s LEU 99 Cb -0.12 -2.44 0.10 0.00 0.03 0.00 0.00 46.19 43.76 3kjs s LEU 99 CO 0.01 -0.14 0.77 -0.55 0.23 0.00 0.00 176.35 176.67 3kjs s SER 100 N 1.45 -0.81 0.14 2.29 0.15 -0.53 -2.12 113.70 114.27 3kjs s SER 100 Ca 0.16 1.32 0.11 0.00 0.70 0.00 0.00 55.95 58.24 3kjs s SER 100 Cb -0.15 1.33 -0.12 0.00 -1.71 0.00 0.00 66.02 65.37 3kjs s SER 100 CO 0.09 -0.21 1.21 0.77 1.20 0.00 0.00 173.24 176.30 3kjs h SER 101 N 6.46 0.00 0.00 5.45 4.64 -1.92 -3.32 113.55 124.87 3kjs h SER 101 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3kjs h SER 101 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3kjs h SER 101 CO 0.16 0.80 -0.15 0.74 -0.87 0.00 0.00 176.83 177.51 3kjs h THR 102 N 0.00 0.00 -3.97 2.95 2.02 -1.96 -3.48 112.91 108.47 3kjs h THR 102 Ca -0.06 -0.72 -0.48 0.00 0.77 0.00 0.00 66.41 65.92 3kjs h THR 102 Cb 1.66 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 68.09 3kjs h THR 102 CO 0.10 0.00 0.42 -0.76 0.37 0.00 0.00 175.52 175.65 3kjs s LEU 103 N -7.22 4.12 0.41 2.58 1.02 -1.26 -5.07 118.68 113.26 3kjs s LEU 103 Ca -0.04 2.07 0.07 0.00 0.02 0.00 0.00 54.13 56.25 3kjs s LEU 103 Cb 0.01 -4.19 -0.05 0.00 0.02 0.00 0.00 46.19 41.97 3kjs s LEU 103 CO 0.06 -0.54 0.17 0.42 0.02 0.00 0.00 176.35 176.48 3kjs s THR 104 N -1.65 2.32 0.24 5.49 -4.23 -1.26 -4.74 115.64 111.82 3kjs s THR 104 Ca 0.58 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 59.33 3kjs s THR 104 Cb -0.23 -2.99 0.20 0.00 1.34 0.00 0.00 72.50 70.82 3kjs s THR 104 CO 0.28 -0.01 1.80 0.74 -0.54 0.00 0.00 174.62 176.89 3kjs h THR 105 N 1.45 0.87 0.00 3.99 2.02 -1.94 -2.44 112.91 116.87 3kjs h THR 105 Ca -0.43 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3kjs h THR 105 Cb 1.25 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3kjs h THR 105 CO 0.70 0.13 -0.16 -0.61 0.37 0.00 0.00 175.52 175.95 3kjs h GLN 106 N 0.71 0.00 -5.72 6.66 5.75 -1.96 -3.35 115.11 117.19 3kjs h GLN 106 Ca 0.39 0.00 -0.51 0.00 -0.15 0.00 0.00 58.65 58.38 3kjs h GLN 106 Cb 0.39 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.87 3kjs h GLN 106 CO -0.26 0.16 1.58 -1.01 -2.65 0.00 0.00 178.83 176.65 3kjs s HIS 107 N -3.62 2.36 0.00 3.99 3.76 -0.92 -5.25 115.29 115.61 3kjs s HIS 107 Ca 0.01 -0.57 0.00 0.00 -0.15 0.00 0.00 55.06 54.35 3kjs s HIS 107 Cb 0.10 -4.41 0.00 0.00 1.11 0.00 0.00 32.58 29.38 3kjs s HIS 107 CO 0.62 -1.58 0.00 1.47 -0.85 0.00 0.00 174.74 174.39 3kjs n LEU 108 N 11.19 0.00 -4.35 0.89 -0.00 -1.26 -4.77 117.00 118.69 3kjs n LEU 108 Ca 0.45 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 56.01 3kjs n LEU 108 Cb 0.47 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.88 3kjs n LEU 108 CO 0.71 0.00 0.78 -0.62 -0.00 0.00 0.00 177.39 178.26 3kjs s ASP 123 N 1.57 7.17 0.00 1.45 -1.08 -1.26 -5.23 116.67 119.29 3kjs s ASP 123 Ca 0.00 -3.32 0.11 0.00 -0.52 0.00 0.00 52.55 48.82 3kjs s ASP 123 Cb 0.00 -2.24 0.06 0.00 -1.46 0.00 0.00 42.92 39.29 3kjs s ASP 123 CO 0.00 -0.41 0.80 -1.20 0.52 0.00 0.00 175.17 174.88 3kjs n SER 124 N 3.36 1.74 -4.07 -0.34 7.64 -1.26 -4.97 113.62 115.72 3kjs n SER 124 Ca 0.23 -1.37 -0.21 0.00 1.01 0.00 0.00 58.87 58.53 3kjs n SER 124 Cb 0.41 0.13 -0.15 0.00 -1.01 0.00 0.00 64.21 63.59 3kjs n SER 124 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3kjs s ILE 125 N -1.06 0.93 -0.12 0.44 1.01 -1.26 -0.46 121.20 120.68 3kjs s ILE 125 Ca 0.12 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 3kjs s ILE 125 Cb 0.09 -0.77 0.05 0.00 0.01 0.00 0.00 42.46 41.83 3kjs s ILE 125 CO 0.17 0.26 0.28 0.54 0.00 0.00 0.00 174.94 176.19 3kjs s VAL 126 N -0.28 -0.03 0.21 2.92 0.11 -0.62 -4.97 120.40 117.74 3kjs s VAL 126 Ca 0.04 0.13 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 3kjs s VAL 126 Cb -0.05 -0.43 -0.07 0.00 -1.53 0.00 0.00 36.38 34.30 3kjs s VAL 126 CO -0.00 0.05 0.60 0.00 -3.33 0.00 0.00 175.10 172.42 3kjs s ALA 127 N 1.22 3.51 -0.11 1.54 0.00 -1.26 -1.51 121.76 125.16 3kjs s ALA 127 Ca -0.09 -0.12 -0.00 0.00 0.00 0.00 0.00 51.96 51.74 3kjs s ALA 127 Cb -0.09 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.49 3kjs s ALA 127 CO -0.09 0.44 -0.08 0.08 0.00 0.00 0.00 175.76 176.12 3kjs s VAL 128 N -1.69 1.01 -1.23 0.00 1.01 0.08 -4.83 120.40 114.76 3kjs s VAL 128 Ca 0.45 -0.29 -0.18 0.00 0.00 0.00 0.00 61.98 61.95 3kjs s VAL 128 Cb -0.13 -1.03 0.08 0.00 0.00 0.00 0.00 36.38 35.31 3kjs s VAL 128 CO 0.20 0.36 1.62 0.21 0.00 0.00 0.00 175.10 177.49 3kjs s ASN 129 N 1.63 6.81 0.00 3.32 2.47 -1.25 -1.46 114.94 126.47 3kjs s ASN 129 Ca 0.03 -2.36 0.00 0.00 0.42 0.00 0.00 52.86 50.95 3kjs s ASN 129 Cb -0.13 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.13 3kjs s ASN 129 CO -0.07 -1.15 0.00 0.61 -3.72 0.00 0.00 177.10 172.76 3kjs n GLY 130 N 5.44 -1.65 0.00 1.21 0.00 -1.26 -4.98 105.19 103.95 3kjs n GLY 130 Ca 0.44 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.93 3kjs n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjs n GLY 131 N -1.28 -0.24 0.34 -0.02 0.00 -1.26 -4.45 105.19 98.27 3kjs n GLY 131 Ca 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 46.02 44.27 3kjs n GLY 131 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kjs h LEU 132 N 0.00 0.90 -0.59 0.99 5.85 -1.94 -2.54 115.31 117.99 3kjs h LEU 132 Ca 0.00 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3kjs h LEU 132 Cb 0.00 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 3kjs h LEU 132 CO 0.00 0.73 0.21 -0.08 -0.34 0.00 0.00 178.44 178.96 3kjs h GLU 133 N 1.02 0.38 -0.29 1.25 4.81 -1.95 0.18 114.58 119.99 3kjs h GLU 133 Ca 0.26 -0.02 -0.10 0.00 -0.13 0.00 0.00 59.36 59.37 3kjs h GLU 133 Cb 0.02 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 3kjs h GLU 133 CO -0.04 0.25 -0.25 1.96 -0.73 0.00 0.00 179.01 180.21 3kjs h GLN 134 N 0.39 0.56 -0.57 1.92 7.50 -1.81 -0.41 115.11 122.69 3kjs h GLN 134 Ca 0.29 -0.22 -0.11 0.00 0.50 0.00 0.00 58.65 59.12 3kjs h GLN 134 Cb 0.35 -0.03 -0.02 0.00 0.05 0.00 0.00 27.48 27.83 3kjs h GLN 134 CO -0.30 0.76 -0.05 0.00 -1.50 0.00 0.00 178.83 177.74 3kjs h ALA 135 N 1.24 0.81 -0.05 3.87 0.00 -0.93 -0.71 119.26 123.48 3kjs h ALA 135 Ca 0.07 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3kjs h ALA 135 Cb 0.69 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3kjs h ALA 135 CO 0.05 0.67 -0.52 -0.07 0.00 0.00 0.00 179.25 179.39 3kjs h LEU 136 N 0.94 0.16 -0.05 0.00 3.38 -0.30 -1.77 115.31 117.67 3kjs h LEU 136 Ca 0.16 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kjs h LEU 136 Cb 0.62 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.32 3kjs h LEU 136 CO 0.04 0.65 0.00 1.56 0.09 0.00 0.00 178.44 180.78 3kjs h GLN 137 N 0.12 0.08 -0.61 1.13 4.20 -0.92 -1.40 115.11 117.70 3kjs h GLN 137 Ca 0.00 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.74 3kjs h GLN 137 Cb 0.95 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.67 3kjs h GLN 137 CO 0.07 0.35 0.33 1.25 -0.67 0.00 0.00 178.83 180.16 3kjs h LEU 138 N -0.20 0.48 0.00 1.46 5.85 -0.95 -1.69 115.31 120.27 3kjs h LEU 138 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3kjs h LEU 138 Cb 0.31 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3kjs h LEU 138 CO 0.00 0.32 0.00 0.18 -0.34 0.00 0.00 178.44 178.60 3kjs n LEU 139 N -4.82 0.00 -0.15 2.25 4.77 -0.68 -1.86 117.00 116.50 3kjs n LEU 139 Ca 0.07 0.46 0.13 0.00 -0.03 0.00 0.00 56.01 56.64 3kjs n LEU 139 Cb 0.16 -0.46 0.38 0.00 -2.33 0.00 0.00 43.42 41.17 3kjs n LEU 139 CO 0.29 -0.11 0.64 0.00 -1.33 0.00 0.00 177.39 176.87 3kjs n ALA 140 N -1.46 3.14 -1.74 -1.18 0.00 -0.64 -3.84 120.51 114.78 3kjs n ALA 140 Ca 0.06 -0.36 -0.38 0.00 0.00 0.00 0.00 53.44 52.77 3kjs n ALA 140 Cb 0.24 -1.17 0.05 0.00 0.00 0.00 0.00 19.45 18.58 3kjs n ALA 140 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3kjs s SER 141 N -2.65 4.95 0.62 0.00 0.01 -0.78 -4.77 113.70 111.09 3kjs s SER 141 Ca 0.21 2.69 0.40 0.00 1.31 0.00 0.00 55.95 60.55 3kjs s SER 141 Cb 0.19 -2.63 2.16 0.00 0.21 0.00 0.00 66.02 65.95 3kjs s SER 141 CO 0.56 -1.78 2.21 1.55 0.41 0.00 0.00 173.24 176.20 3kjs h PRO 142 N 1.01 0.00 0.00 12.44 0.13 -1.91 -0.76 132.00 142.91 3kjs h PRO 142 Ca -0.51 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 3kjs h PRO 142 Cb 1.32 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 3kjs h PRO 142 CO 0.55 0.00 -0.17 -0.91 -0.23 0.00 0.00 178.00 177.24 3kjs h ASN 143 N 0.00 0.00 0.00 1.44 4.21 -1.91 -3.37 115.58 115.95 3kjs h ASN 143 Ca 0.00 0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.42 3kjs h ASN 143 Cb 0.11 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 3kjs h ASN 143 CO 0.00 0.17 -1.41 -1.22 -1.29 0.00 0.00 177.43 173.68 3kjs n TYR 144 N -3.30 0.00 0.22 1.19 4.01 -0.37 -4.75 117.16 114.16 3kjs n TYR 144 Ca 0.00 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.80 3kjs n TYR 144 Cb 0.41 -0.28 0.49 0.00 -0.31 0.00 0.00 39.34 39.65 3kjs n TYR 144 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 3kjs h THR 145 N 0.00 1.14 0.01 -0.72 1.35 -1.46 0.70 112.91 113.94 3kjs h THR 145 Ca -0.14 -0.69 -0.20 0.00 -0.55 0.00 0.00 66.41 64.83 3kjs h THR 145 Cb 1.17 1.37 -0.02 0.00 -1.73 0.00 0.00 68.15 68.94 3kjs h THR 145 CO 0.01 0.20 -0.94 -0.65 -0.25 0.00 0.00 175.52 173.88 3kjs h PRO 146 N 0.00 0.05 0.00 4.72 0.11 -1.86 -3.37 132.00 131.65 3kjs h PRO 146 Ca -0.00 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.93 3kjs h PRO 146 Cb 0.36 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.47 3kjs h PRO 146 CO 0.03 0.95 -1.60 -1.13 -0.21 0.00 0.00 178.00 176.03 3kjs n SER 147 N -3.48 0.51 -4.29 -2.05 3.41 -1.01 -4.80 113.62 101.91 3kjs n SER 147 Ca -0.01 0.21 -0.40 0.00 -0.26 0.00 0.00 58.87 58.41 3kjs n SER 147 Cb 0.88 0.84 -0.10 0.00 -0.26 0.00 0.00 64.21 65.57 3kjs n SER 147 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3kjs s ILE 148 N -3.14 4.32 -0.06 -1.33 1.01 0.21 -0.56 121.20 121.66 3kjs s ILE 148 Ca -0.05 -1.30 -0.15 0.00 0.00 0.00 0.00 60.65 59.15 3kjs s ILE 148 Cb 0.10 -3.61 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 3kjs s ILE 148 CO 0.84 -0.47 0.61 -0.08 0.00 0.00 0.00 174.94 175.84 3kjs h GLU 149 N 8.43 -0.27 -5.30 2.79 4.81 -1.33 -3.45 114.58 120.26 3kjs h GLU 149 Ca -0.24 0.02 -0.48 0.00 -0.13 0.00 0.00 59.36 58.53 3kjs h GLU 149 Cb 1.09 0.06 -0.29 0.00 0.63 0.00 0.00 28.75 30.24 3kjs h GLU 149 CO 0.75 0.02 -0.81 0.99 -0.73 0.00 0.00 179.01 179.23 3kjs s THR 150 N -2.96 1.12 -0.20 0.32 2.01 -1.26 -4.93 115.64 109.73 3kjs s THR 150 Ca -0.09 -0.63 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 3kjs s THR 150 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3kjs s THR 150 CO 0.31 0.30 0.10 -0.69 -0.69 0.00 0.00 174.62 173.94 3kjs s VAL 151 N -0.36 4.97 -0.17 3.82 1.01 -1.26 -1.41 120.40 127.00 3kjs s VAL 151 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.06 3kjs s VAL 151 Cb -0.06 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 3kjs s VAL 151 CO -0.00 0.42 -0.12 -0.31 0.00 0.00 0.00 175.10 175.09 3kjs s TYR 152 N 0.64 2.85 -0.52 5.22 2.02 0.11 -0.47 117.35 127.19 3kjs s TYR 152 Ca 0.05 -0.92 -0.26 0.00 -0.37 0.00 0.00 57.07 55.57 3kjs s TYR 152 Cb -0.13 -1.94 0.03 0.00 -0.40 0.00 0.00 41.96 39.52 3kjs s TYR 152 CO 0.01 -0.43 1.01 0.00 -1.57 0.00 0.00 175.55 174.57 3kjs n ILE 154 N 6.46 0.25 0.00 0.00 -5.35 -0.75 -1.05 119.36 118.92 3kjs n ILE 154 Ca 0.06 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 3kjs n ILE 154 Cb 0.48 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 3kjs n ILE 154 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kjs n GLY 155 N 1.14 1.50 0.00 3.28 0.00 -1.24 -4.90 105.19 104.96 3kjs n GLY 155 Ca 0.14 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3kjs n GLY 155 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kjs n GLY 156 N -1.07 1.98 0.29 -0.02 0.00 -1.26 0.10 105.19 105.20 3kjs n GLY 156 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.98 3kjs n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3kjs h GLY 157 N 0.00 1.10 2.00 -0.02 0.00 -1.97 -0.81 103.07 103.38 3kjs h GLY 157 Ca 0.00 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 46.92 3kjs h GLY 157 CO 0.00 0.25 -0.33 1.48 0.00 0.00 0.00 176.54 177.94 3kjs h SER 158 N 0.86 0.00 0.16 0.19 4.64 -1.95 -1.62 113.55 115.83 3kjs h SER 158 Ca 0.32 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.40 3kjs h SER 158 Cb 0.11 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.22 3kjs h SER 158 CO -0.15 0.33 -1.04 0.58 -0.87 0.00 0.00 176.83 175.69 3kjs h VAL 159 N 0.00 1.41 -0.57 0.95 2.07 -1.68 -2.81 116.25 115.62 3kjs h VAL 159 Ca -0.00 -2.54 -0.01 0.00 0.82 0.00 0.00 66.70 64.97 3kjs h VAL 159 Cb 0.95 3.05 -0.03 0.00 -1.52 0.00 0.00 31.29 33.74 3kjs h VAL 159 CO 0.04 0.74 0.30 1.88 0.02 0.00 0.00 177.57 180.55 3kjs h TYR 160 N -0.13 0.80 -0.72 1.57 0.05 -1.11 0.11 116.97 117.55 3kjs h TYR 160 Ca -0.18 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.61 3kjs h TYR 160 Cb 1.80 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 39.24 3kjs h TYR 160 CO 0.16 0.59 0.45 0.00 -1.05 0.00 0.00 178.16 178.32 3kjs h ALA 161 N 1.13 0.94 -0.32 3.88 0.00 -1.39 -0.94 119.26 122.56 3kjs h ALA 161 Ca 0.20 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3kjs h ALA 161 Cb 0.07 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kjs h ALA 161 CO -0.03 0.24 -0.25 1.49 0.00 0.00 0.00 179.25 180.70 3kjs h GLU 162 N 0.88 0.64 0.00 0.00 4.81 -1.21 -2.98 114.58 116.72 3kjs h GLU 162 Ca 0.29 -0.26 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 3kjs h GLU 162 Cb 0.02 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.36 3kjs h GLU 162 CO -0.11 0.83 -0.26 0.00 -0.73 0.00 0.00 179.01 178.74 3kjs h ALA 163 N 1.17 1.41 -0.38 2.92 0.00 0.13 -2.57 119.26 121.94 3kjs h ALA 163 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3kjs h ALA 163 Cb 0.72 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3kjs h ALA 163 CO 0.06 0.33 0.00 1.28 0.00 0.00 0.00 179.25 180.91 3kjs n LEU 164 N -3.99 2.20 -4.21 0.00 4.32 -0.44 -2.71 117.00 112.17 3kjs n LEU 164 Ca -0.02 -1.10 -0.25 0.00 -0.02 0.00 0.00 56.01 54.62 3kjs n LEU 164 Cb 0.33 -0.29 -0.15 0.00 -1.62 0.00 0.00 43.42 41.70 3kjs n LEU 164 CO 0.36 0.51 -0.51 -0.60 -1.22 0.00 0.00 177.39 175.93 3kjs s ARG 165 N -1.52 1.40 0.39 3.23 3.52 -0.97 -4.79 118.95 120.21 3kjs s ARG 165 Ca 0.26 -0.79 -0.27 0.00 -0.13 0.00 0.00 55.73 54.80 3kjs s ARG 165 Cb 0.14 -1.43 -0.10 0.00 -1.56 0.00 0.00 34.95 32.01 3kjs s ARG 165 CO 0.17 0.38 1.42 -2.14 -0.81 0.00 0.00 175.30 174.31 3kjs s PRO 166 N -0.81 4.06 0.27 5.12 0.02 -1.26 -1.25 135.00 141.15 3kjs s PRO 166 Ca 0.07 2.42 0.24 0.00 0.02 0.00 0.00 61.00 63.75 3kjs s PRO 166 Cb -0.08 -2.90 0.38 0.00 0.02 0.00 0.00 34.50 31.93 3kjs s PRO 166 CO 0.00 -0.52 1.48 -1.00 -0.33 0.00 0.00 177.00 176.63 3kjs h PRO 167 N 2.90 0.00 -0.65 5.54 0.13 -1.98 -3.46 132.00 134.47 3kjs h PRO 167 Ca -0.50 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3kjs h PRO 167 Cb 1.24 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.34 3kjs h PRO 167 CO 0.64 0.00 0.43 0.00 -0.23 0.00 0.00 178.00 178.84 3kjs h VAL 169 N 0.76 1.05 0.00 0.00 3.04 -0.96 -0.67 116.25 119.46 3kjs h VAL 169 Ca 0.26 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.73 3kjs h VAL 169 Cb 0.10 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.48 3kjs h VAL 169 CO -0.07 0.06 0.00 0.45 -1.01 0.00 0.00 177.57 177.00 3kjs h HIS 170 N 0.02 0.00 -0.01 3.17 3.86 -1.79 -2.97 115.15 117.42 3kjs h HIS 170 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3kjs h HIS 170 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 3kjs h HIS 170 CO 0.00 0.00 -0.35 1.28 0.86 0.00 0.00 177.93 179.72 3kjs n LEU 171 N -2.31 1.67 -4.62 2.43 4.77 -0.27 -4.91 117.00 113.76 3kjs n LEU 171 Ca 0.04 -0.57 -0.43 0.00 -0.03 0.00 0.00 56.01 55.02 3kjs n LEU 171 Cb 0.35 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.37 3kjs n LEU 171 CO 0.26 0.31 1.28 -0.22 -1.33 0.00 0.00 177.39 177.69 3kjs s LEU 172 N -2.44 3.74 0.08 2.23 2.96 -1.12 -1.96 118.68 122.16 3kjs s LEU 172 Ca 0.22 1.20 -0.14 0.00 -0.22 0.00 0.00 54.13 55.19 3kjs s LEU 172 Cb 0.19 -3.54 -0.18 0.00 0.50 0.00 0.00 46.19 43.16 3kjs s LEU 172 CO 0.53 -1.33 1.26 1.56 -1.32 0.00 0.00 176.35 177.05 3kjs h GLN 173 N 10.61 0.71 -1.86 1.98 4.20 -0.84 -3.43 115.11 126.47 3kjs h GLN 173 Ca -0.30 -0.62 0.04 0.00 0.06 0.00 0.00 58.65 57.84 3kjs h GLN 173 Cb 1.12 0.14 -0.20 0.00 0.30 0.00 0.00 27.48 28.85 3kjs h GLN 173 CO 1.04 1.23 0.43 0.00 -0.67 0.00 0.00 178.83 180.86 3kjs s ALA 174 N -3.62 -1.86 -0.16 3.87 0.00 -1.26 -4.19 121.76 114.55 3kjs s ALA 174 Ca -0.11 1.37 0.01 0.00 0.00 0.00 0.00 51.96 53.23 3kjs s ALA 174 Cb 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.94 3kjs s ALA 174 CO 0.89 -0.41 -0.17 0.42 0.00 0.00 0.00 175.76 176.49 3kjs s ILE 175 N -1.60 2.47 -0.45 0.00 1.01 0.49 -0.66 121.20 122.46 3kjs s ILE 175 Ca -0.03 -0.83 -0.13 0.00 0.00 0.00 0.00 60.65 59.66 3kjs s ILE 175 Cb -0.00 -2.03 0.07 0.00 0.01 0.00 0.00 42.46 40.50 3kjs s ILE 175 CO 0.01 0.52 0.35 -0.31 0.00 0.00 0.00 174.94 175.51 3kjs s TYR 176 N 0.91 3.27 -0.18 3.97 1.51 0.11 -0.22 117.35 126.72 3kjs s TYR 176 Ca -0.04 -1.10 -0.03 0.00 -1.01 0.00 0.00 57.07 54.89 3kjs s TYR 176 Cb -0.15 -3.07 -0.02 0.00 -0.11 0.00 0.00 41.96 38.62 3kjs s TYR 176 CO -0.02 -0.80 -0.06 0.50 -1.11 0.00 0.00 175.55 174.06 3kjs s ARG 177 N 1.57 3.46 -0.16 -0.62 3.52 -0.25 -1.51 118.95 124.96 3kjs s ARG 177 Ca 0.04 -0.61 -0.14 0.00 -0.13 0.00 0.00 55.73 54.88 3kjs s ARG 177 Cb -0.24 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 3kjs s ARG 177 CO 0.05 0.01 0.32 0.99 -0.81 0.00 0.00 175.30 175.86 3kjs s THR 178 N 0.95 5.29 -0.24 4.11 2.01 0.10 -0.87 115.64 126.99 3kjs s THR 178 Ca -0.01 0.60 -0.07 0.00 0.31 0.00 0.00 61.69 62.53 3kjs s THR 178 Cb -0.15 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3kjs s THR 178 CO 0.01 0.37 0.06 -0.89 -0.69 0.00 0.00 174.62 173.48 3kjs s THR 179 N 0.57 4.30 -0.26 -0.82 2.01 -0.22 -0.19 115.64 121.03 3kjs s THR 179 Ca 0.18 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.89 3kjs s THR 179 Cb -0.13 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 3kjs s THR 179 CO 0.05 0.36 0.19 -0.63 -0.69 0.00 0.00 174.62 173.89 3kjs s ILE 180 N 1.47 5.32 -1.37 1.82 -1.09 0.13 -1.77 121.20 125.71 3kjs s ILE 180 Ca 0.06 0.21 -0.14 0.00 -2.23 0.00 0.00 60.65 58.55 3kjs s ILE 180 Cb -0.15 -3.53 0.09 0.00 -1.58 0.00 0.00 42.46 37.29 3kjs s ILE 180 CO 0.03 0.29 2.00 0.54 -1.23 0.00 0.00 174.94 176.57 3kjs n ARG 181 N 4.73 3.13 -3.95 2.79 5.12 0.12 -3.22 116.66 125.38 3kjs n ARG 181 Ca -0.14 -3.04 -0.10 0.00 -1.93 0.00 0.00 57.85 52.65 3kjs n ARG 181 Cb 0.52 -3.22 -0.11 0.00 -1.16 0.00 0.00 32.46 28.48 3kjs n ARG 181 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3kjs s ALA 182 N 2.61 0.01 -0.26 7.54 0.00 -1.26 -4.39 121.76 126.00 3kjs s ALA 182 Ca 0.46 -0.43 -0.08 0.00 0.00 0.00 0.00 51.96 51.92 3kjs s ALA 182 Cb 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.31 3kjs s ALA 182 CO -0.03 -0.16 0.08 -1.54 0.00 0.00 0.00 175.76 174.12 3kjs s SER 183 N -1.30 5.21 -0.45 0.00 1.04 -1.26 -3.95 113.70 112.98 3kjs s SER 183 Ca -0.14 -0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.06 3kjs s SER 183 Cb -0.09 -1.94 0.15 0.00 0.10 0.00 0.00 66.02 64.25 3kjs s SER 183 CO -0.00 -0.06 0.30 -1.61 0.98 0.00 0.00 173.24 172.85 3kjs s GLU 184 N 1.61 1.21 0.00 4.02 2.02 -1.26 -4.97 118.70 121.33 3kjs s GLU 184 Ca 0.06 -2.10 0.00 0.00 0.02 0.00 0.00 54.97 52.95 3kjs s GLU 184 Cb -0.15 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.04 3kjs s GLU 184 CO 0.04 -1.25 0.92 -1.13 0.02 0.00 0.00 175.26 173.86 3kjs n SER 185 N 3.22 0.00 0.06 -0.19 3.41 -1.26 -1.33 113.62 117.52 3kjs n SER 185 Ca 0.17 0.42 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 3kjs n SER 185 Cb 0.39 -0.42 0.43 0.00 -0.26 0.00 0.00 64.21 64.34 3kjs n SER 185 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3kjs n SER 186 N -1.42 0.51 -4.64 4.04 3.41 -1.26 -4.82 113.62 109.44 3kjs n SER 186 Ca 0.00 0.41 -0.43 0.00 -0.26 0.00 0.00 58.87 58.60 3kjs n SER 186 Cb 0.01 -0.47 -0.03 0.00 -0.26 0.00 0.00 64.21 63.46 3kjs n SER 186 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kjs n SER 188 N 7.99 0.78 -4.37 0.00 3.41 -0.76 -4.96 113.62 115.71 3kjs n SER 188 Ca 0.18 -0.89 -0.32 0.00 -0.26 0.00 0.00 58.87 57.58 3kjs n SER 188 Cb 0.44 0.67 -0.15 0.00 -0.26 0.00 0.00 64.21 64.91 3kjs n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kjs s VAL 189 N -1.34 2.63 0.22 -3.33 1.01 -0.88 -4.98 120.40 113.75 3kjs s VAL 189 Ca 0.05 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.22 3kjs s VAL 189 Cb 0.06 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 3kjs s VAL 189 CO 0.23 0.57 -0.05 -0.36 0.00 0.00 0.00 175.10 175.49 3kjs s PHE 190 N -0.33 1.63 -0.20 5.22 0.40 -1.26 -1.29 117.98 122.14 3kjs s PHE 190 Ca 0.02 -0.79 -0.09 0.00 -0.60 0.00 0.00 56.93 55.47 3kjs s PHE 190 Cb -0.13 -0.90 0.08 0.00 0.51 0.00 0.00 43.02 42.59 3kjs s PHE 190 CO 0.02 0.11 0.45 0.12 0.70 0.00 0.00 175.22 176.63 3kjs s PHE 191 N -3.24 -0.79 -0.05 0.36 5.36 0.99 -4.88 117.98 115.72 3kjs s PHE 191 Ca 0.26 1.55 0.02 0.00 -0.96 0.00 0.00 56.93 57.80 3kjs s PHE 191 Cb 0.04 0.35 0.01 0.00 -0.34 0.00 0.00 43.02 43.08 3kjs s PHE 191 CO 0.08 -0.45 -0.10 1.03 -1.46 0.00 0.00 175.22 174.31 3kjs s ARG 192 N 2.17 1.33 -0.27 10.12 1.81 -1.26 -4.62 118.95 128.22 3kjs s ARG 192 Ca -0.05 -0.35 -0.26 0.00 -1.72 0.00 0.00 55.73 53.35 3kjs s ARG 192 Cb -0.10 -1.16 0.00 0.00 -0.45 0.00 0.00 34.95 33.24 3kjs s ARG 192 CO -0.14 0.06 0.90 0.08 -0.68 0.00 0.00 175.30 175.53 3kjs s VAL 193 N 0.48 4.73 0.21 3.52 1.01 -1.26 -5.02 120.40 124.08 3kjs s VAL 193 Ca -0.09 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.16 3kjs s VAL 193 Cb -0.13 -4.22 -0.09 0.00 0.00 0.00 0.00 36.38 31.94 3kjs s VAL 193 CO 0.02 -0.22 1.36 -2.84 0.00 0.00 0.00 175.10 173.41 3kjs s PRO 194 N 3.10 4.35 0.52 2.72 0.02 -1.26 -4.97 135.00 139.47 3kjs s PRO 194 Ca 0.38 2.14 -0.19 0.00 0.02 0.00 0.00 61.00 63.34 3kjs s PRO 194 Cb -0.14 -3.17 -0.07 0.00 0.02 0.00 0.00 34.50 31.14 3kjs s PRO 194 CO 0.10 -0.31 1.05 -1.21 -0.33 0.00 0.00 177.00 176.30 3kjs s GLU 195 N -0.16 3.64 0.15 5.54 2.02 -1.26 -4.68 118.70 123.96 3kjs s GLU 195 Ca 0.58 1.36 -0.34 0.00 0.02 0.00 0.00 54.97 56.58 3kjs s GLU 195 Cb -0.38 -2.07 -0.14 0.00 0.10 0.00 0.00 34.13 31.63 3kjs s GLU 195 CO 0.39 -0.56 1.50 0.45 0.02 0.00 0.00 175.26 177.06 3kjs n SER 196 N -1.24 2.69 0.00 -0.19 2.88 -1.26 -1.89 113.62 114.61 3kjs n SER 196 Ca 0.09 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3kjs n SER 196 Cb 0.52 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 3kjs n SER 196 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3kjs n GLY 197 N 3.06 3.17 3.80 0.46 0.00 -1.26 -5.04 105.19 109.38 3kjs n GLY 197 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 3kjs n GLY 197 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kjs s THR 198 N -2.33 3.78 0.14 2.61 -4.23 -0.79 -4.97 115.64 109.84 3kjs s THR 198 Ca 0.00 0.60 -0.15 0.00 -1.18 0.00 0.00 61.69 60.96 3kjs s THR 198 Cb 0.00 -3.24 0.01 0.00 1.34 0.00 0.00 72.50 70.60 3kjs s THR 198 CO 0.00 -0.73 1.71 -0.33 -0.54 0.00 0.00 174.62 174.73 3kjs h GLU 199 N -0.73 0.62 0.00 3.99 3.07 -1.96 -2.52 114.58 117.06 3kjs h GLU 199 Ca -0.44 -0.10 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 3kjs h GLU 199 Cb 1.22 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 3kjs h GLU 199 CO 0.55 0.55 0.00 0.00 -1.40 0.00 0.00 179.01 178.72 3kjs h ALA 200 N 1.04 1.00 0.00 3.43 0.00 -1.93 -2.64 119.26 120.15 3kjs h ALA 200 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3kjs h ALA 200 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3kjs h ALA 200 CO -0.02 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3kjs h ALA 201 N 2.03 1.00 -6.31 0.00 0.00 -1.70 -3.46 119.26 110.81 3kjs h ALA 201 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3kjs h ALA 201 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kjs h ALA 201 CO 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 179.25 178.47 3kjs n ALA 202 N -1.94 -1.41 -0.34 0.00 0.00 -1.00 -1.82 120.51 114.00 3kjs n ALA 202 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.57 3kjs n ALA 202 Cb 0.29 -3.98 0.00 0.00 0.00 0.00 0.00 19.45 15.76 3kjs n ALA 202 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kjs n GLY 203 N -1.67 1.73 3.77 0.00 0.00 -1.26 -5.02 105.19 102.74 3kjs n GLY 203 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3kjs n GLY 203 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kjs s ILE 204 N -3.13 4.92 -0.60 -0.61 1.01 -0.76 -5.04 121.20 117.00 3kjs s ILE 204 Ca 0.00 1.18 -0.09 0.00 0.00 0.00 0.00 60.65 61.74 3kjs s ILE 204 Cb 0.00 -3.90 0.15 0.00 0.01 0.00 0.00 42.46 38.73 3kjs s ILE 204 CO 0.00 0.44 0.48 -1.61 0.00 0.00 0.00 174.94 174.25 3kjs s GLU 205 N -0.32 2.81 0.13 2.79 2.02 -1.26 -4.56 118.70 120.30 3kjs s GLU 205 Ca 0.30 -2.11 -0.30 0.00 0.02 0.00 0.00 54.97 52.87 3kjs s GLU 205 Cb -0.18 -4.03 -0.07 0.00 0.10 0.00 0.00 34.13 29.95 3kjs s GLU 205 CO 0.16 -1.22 1.18 -1.58 0.02 0.00 0.00 175.26 173.82 3kjs s TRP 206 N 0.75 3.47 0.02 1.61 0.52 -1.26 -0.75 118.94 123.30 3kjs s TRP 206 Ca 0.11 1.41 0.05 0.00 0.02 0.00 0.00 56.10 57.69 3kjs s TRP 206 Cb -0.21 -3.39 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 3kjs s TRP 206 CO -0.03 -1.11 -0.15 -0.65 0.02 0.00 0.00 176.95 175.04 3kjs s GLN 207 N 0.32 1.06 -0.22 4.98 -1.52 -0.17 -4.51 119.66 119.60 3kjs s GLN 207 Ca 0.55 -0.69 -0.29 0.00 -1.95 0.00 0.00 55.36 52.98 3kjs s GLN 207 Cb -0.30 -1.07 -0.00 0.00 -0.22 0.00 0.00 33.01 31.42 3kjs s GLN 207 CO 0.33 0.28 1.18 0.50 -0.25 0.00 0.00 175.29 177.33 3kjs s ARG 208 N -0.85 4.17 -0.20 2.91 3.52 -1.26 -0.95 118.95 126.29 3kjs s ARG 208 Ca 0.04 1.45 -0.22 0.00 -0.13 0.00 0.00 55.73 56.87 3kjs s ARG 208 Cb -0.07 -3.74 -0.19 0.00 -1.56 0.00 0.00 34.95 29.38 3kjs s ARG 208 CO 0.01 -0.77 0.24 1.49 -0.81 0.00 0.00 175.30 175.46 3kjs h GLU 209 N 8.14 0.00 -4.47 5.12 4.81 -1.19 -3.48 114.58 123.51 3kjs h GLU 209 Ca -0.24 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.74 3kjs h GLU 209 Cb 1.08 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.25 3kjs h GLU 209 CO 0.99 0.99 -0.73 0.95 -0.73 0.00 0.00 179.01 180.48 3kjs s THR 210 N -2.35 0.47 -0.02 0.32 -4.23 -1.18 -5.00 115.64 103.65 3kjs s THR 210 Ca -0.28 -1.04 0.01 0.00 -1.18 0.00 0.00 61.69 59.20 3kjs s THR 210 Cb 0.05 -0.55 0.02 0.00 1.34 0.00 0.00 72.50 73.36 3kjs s THR 210 CO 0.59 -0.39 -0.02 -0.51 -0.54 0.00 0.00 174.62 173.75 3kjs s ILE 211 N -1.37 0.31 0.80 2.99 2.07 -1.26 -1.48 121.20 123.26 3kjs s ILE 211 Ca -0.11 -0.05 -0.12 0.00 -1.41 0.00 0.00 60.65 58.97 3kjs s ILE 211 Cb -0.10 -0.34 0.07 0.00 0.13 0.00 0.00 42.46 42.22 3kjs s ILE 211 CO 0.00 0.15 1.11 -0.94 -1.91 0.00 0.00 174.94 173.35 3kjs s SER 212 N 0.65 4.50 0.70 4.50 1.04 0.04 -5.01 113.70 120.12 3kjs s SER 212 Ca -0.07 1.15 -0.14 0.00 0.48 0.00 0.00 55.95 57.37 3kjs s SER 212 Cb -0.10 -1.84 0.02 0.00 0.10 0.00 0.00 66.02 64.19 3kjs s SER 212 CO -0.01 -1.94 1.11 -1.83 0.98 0.00 0.00 173.24 171.55 3kjs s GLU 213 N -5.26 2.59 0.02 4.02 -1.05 -1.26 -4.71 118.70 113.03 3kjs s GLU 213 Ca 0.61 1.35 -0.30 0.00 -0.15 0.00 0.00 54.97 56.48 3kjs s GLU 213 Cb -0.13 -1.93 -0.06 0.00 -0.44 0.00 0.00 34.13 31.57 3kjs s GLU 213 CO 0.53 -1.41 1.50 -2.00 0.95 0.00 0.00 175.26 174.83 3kjs s GLU 214 N -4.31 4.25 0.32 -4.83 2.12 -1.26 -4.71 118.70 110.28 3kjs s GLU 214 Ca 0.66 2.10 0.09 0.00 0.36 0.00 0.00 54.97 58.18 3kjs s GLU 214 Cb -0.20 -3.61 -0.05 0.00 0.26 0.00 0.00 34.13 30.52 3kjs s GLU 214 CO 0.46 -0.65 -0.02 -0.51 -0.54 0.00 0.00 175.26 173.99 3kjs s LEU 215 N 2.62 2.95 -0.10 2.70 1.43 0.54 -4.95 118.68 123.86 3kjs s LEU 215 Ca 0.68 -0.96 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 3kjs s LEU 215 Cb -0.34 -1.35 -0.02 0.00 0.03 0.00 0.00 46.19 44.51 3kjs s LEU 215 CO 0.28 -0.17 -0.14 -0.89 0.23 0.00 0.00 176.35 175.66 3kjs s THR 216 N -2.50 2.98 0.40 5.49 2.01 -1.26 -0.81 115.64 121.95 3kjs s THR 216 Ca 0.34 -0.71 -0.24 0.00 0.31 0.00 0.00 61.69 61.39 3kjs s THR 216 Cb -0.01 -2.22 -0.09 0.00 0.01 0.00 0.00 72.50 70.19 3kjs s THR 216 CO 0.19 0.55 1.06 -0.55 -0.69 0.00 0.00 174.62 175.17 3kjs s SER 217 N 0.04 6.76 -0.53 3.53 0.15 0.88 -4.95 113.70 119.57 3kjs s SER 217 Ca -0.05 2.06 -0.02 0.00 0.70 0.00 0.00 55.95 58.64 3kjs s SER 217 Cb -0.15 -2.59 0.34 0.00 -1.71 0.00 0.00 66.02 61.92 3kjs s SER 217 CO 0.04 -0.49 2.05 0.00 1.20 0.00 0.00 173.24 176.04 3kjs n ALA 218 N -0.03 5.87 1.20 5.45 0.00 -1.26 -4.04 120.51 127.69 3kjs n ALA 218 Ca 0.05 -2.76 0.13 0.00 0.00 0.00 0.00 53.44 50.85 3kjs n ALA 218 Cb 0.49 -1.63 0.34 0.00 0.00 0.00 0.00 19.45 18.65 3kjs n ALA 218 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3kjs n ASN 219 N -0.35 0.99 0.00 0.00 6.94 -1.26 -4.93 115.26 116.65 3kjs n ASN 219 Ca 0.49 -0.83 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 3kjs n ASN 219 Cb 0.61 0.17 0.00 0.00 -2.36 0.00 0.00 39.78 38.20 3kjs n ASN 219 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kjs n GLY 220 N 1.37 0.53 0.21 4.83 0.00 -1.26 -4.88 105.19 105.98 3kjs n GLY 220 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.17 3kjs n GLY 220 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kjs n ASN 221 N 0.00 1.18 -3.36 1.61 3.02 -1.26 -5.01 115.26 111.44 3kjs n ASN 221 Ca 0.00 -1.09 -0.24 0.00 -0.03 0.00 0.00 54.58 53.21 3kjs n ASN 221 Cb 0.00 0.37 0.04 0.00 -0.61 0.00 0.00 39.78 39.58 3kjs n ASN 221 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kjs n GLU 222 N -0.15 -5.37 -1.93 3.52 1.02 -1.26 -4.92 120.64 111.56 3kjs n GLU 222 Ca 0.04 0.76 -0.42 0.00 -0.02 0.00 0.00 57.16 57.51 3kjs n GLU 222 Cb 0.17 -5.64 -0.03 0.00 -0.02 0.00 0.00 31.44 25.93 3kjs n GLU 222 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kjs s THR 223 N -3.18 2.98 0.26 2.62 2.01 -1.26 -4.67 115.64 114.39 3kjs s THR 223 Ca 0.45 0.49 -0.20 0.00 0.31 0.00 0.00 61.69 62.73 3kjs s THR 223 Cb -0.21 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 3kjs s THR 223 CO 0.55 0.00 0.77 -0.54 -0.69 0.00 0.00 174.62 174.72 3kjs s LYS 224 N 2.38 4.29 0.12 4.92 1.02 -1.26 -0.09 119.74 131.12 3kjs s LYS 224 Ca 0.73 0.94 -0.19 0.00 0.02 0.00 0.00 55.97 57.47 3kjs s LYS 224 Cb -0.40 -2.80 0.05 0.00 -0.52 0.00 0.00 37.83 34.15 3kjs s LYS 224 CO 0.32 0.34 0.48 1.52 -0.92 0.00 0.00 175.35 177.09 3kjs s TYR 225 N -1.60 -0.35 0.15 3.18 1.13 0.01 0.14 117.35 120.01 3kjs s TYR 225 Ca 0.46 0.12 -0.16 0.00 -1.41 0.00 0.00 57.07 56.08 3kjs s TYR 225 Cb -0.16 0.37 0.03 0.00 -1.10 0.00 0.00 41.96 41.10 3kjs s TYR 225 CO 0.21 -0.74 0.42 1.52 -2.51 0.00 0.00 175.55 174.45 3kjs s TYR 226 N -3.57 -0.12 0.05 -3.49 1.13 -0.73 -0.34 117.35 110.29 3kjs s TYR 226 Ca 0.01 -0.21 0.05 0.00 -1.41 0.00 0.00 57.07 55.51 3kjs s TYR 226 Cb 0.01 0.26 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 3kjs s TYR 226 CO -0.11 -0.76 -0.08 -0.06 -2.51 0.00 0.00 175.55 172.03 3kjs s PHE 227 N -3.84 2.81 0.02 -3.49 0.08 -1.26 -1.05 117.98 111.24 3kjs s PHE 227 Ca 0.06 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.01 3kjs s PHE 227 Cb 0.01 -1.52 -0.02 0.00 -0.57 0.00 0.00 43.02 40.92 3kjs s PHE 227 CO -0.08 0.39 -0.03 -1.83 -0.10 0.00 0.00 175.22 173.57 3kjs s GLU 228 N -1.79 0.30 -0.20 0.44 -1.05 -0.05 -0.78 118.70 115.56 3kjs s GLU 228 Ca 0.19 -0.58 -0.04 0.00 -0.15 0.00 0.00 54.97 54.39 3kjs s GLU 228 Cb -0.11 0.09 -0.02 0.00 -0.44 0.00 0.00 34.13 33.65 3kjs s GLU 228 CO 0.11 -0.04 -0.02 0.21 0.95 0.00 0.00 175.26 176.46 3kjs s LYS 229 N -1.37 3.53 -0.07 -4.83 2.20 -0.55 -1.09 119.74 117.55 3kjs s LYS 229 Ca -0.15 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3kjs s LYS 229 Cb -0.09 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 3kjs s LYS 229 CO -0.01 -0.04 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.37 3kjs s LEU 230 N 1.10 3.19 0.10 5.43 1.43 0.69 -0.56 118.68 130.06 3kjs s LEU 230 Ca 0.02 -0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 3kjs s LEU 230 Cb -0.14 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3kjs s LEU 230 CO 0.01 0.35 -0.14 0.27 0.23 0.00 0.00 176.35 177.07 3kjs s ILE 231 N -0.76 1.22 -0.01 -0.59 -4.36 -0.13 -0.38 121.20 116.20 3kjs s ILE 231 Ca 0.12 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.68 3kjs s ILE 231 Cb -0.11 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.25 3kjs s ILE 231 CO 0.02 -0.32 1.03 -2.16 0.24 0.00 0.00 174.94 173.74 3kjs s PRO 232 N -2.23 4.51 0.12 0.37 0.04 -1.26 -1.00 135.00 135.54 3kjs s PRO 232 Ca 0.04 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.24 3kjs s PRO 232 Cb -0.07 -3.46 -0.10 0.00 0.04 0.00 0.00 34.50 30.90 3kjs s PRO 232 CO 0.02 -0.14 1.84 0.50 0.04 0.00 0.00 177.00 179.27 3kjs s ARG 233 N 1.23 4.14 -1.06 4.56 3.52 0.07 -4.79 118.95 126.61 3kjs s ARG 233 Ca 0.53 2.60 -0.14 0.00 -0.13 0.00 0.00 55.73 58.58 3kjs s ARG 233 Cb -0.22 -3.64 0.19 0.00 -1.56 0.00 0.00 34.95 29.71 3kjs s ARG 233 CO 0.26 -0.85 1.20 1.21 -0.81 0.00 0.00 175.30 176.31 3kjs s ASN 234 N 2.87 6.95 0.33 -2.12 3.84 -1.26 -4.77 114.94 120.78 3kjs s ASN 234 Ca 0.82 -2.80 0.03 0.00 0.21 0.00 0.00 52.86 51.12 3kjs s ASN 234 Cb -0.46 -2.34 0.63 0.00 -0.55 0.00 0.00 41.25 38.53 3kjs s ASN 234 CO 0.37 -0.73 1.93 0.03 -2.79 0.00 0.00 177.10 175.91 3kjs h ARG 235 N 7.62 0.88 -0.55 0.43 2.47 -1.98 -2.02 114.38 121.23 3kjs h ARG 235 Ca 0.22 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.81 3kjs h ARG 235 Cb 0.94 -0.20 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3kjs h ARG 235 CO 1.10 0.58 0.04 0.93 0.56 0.00 0.00 179.97 183.18 3kjs h GLU 236 N 0.90 0.95 -0.10 0.04 5.08 -1.89 -1.01 114.58 118.55 3kjs h GLU 236 Ca 0.37 -0.28 -0.17 0.00 -1.00 0.00 0.00 59.36 58.27 3kjs h GLU 236 Cb 0.26 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 3kjs h GLU 236 CO -0.14 0.94 -0.65 1.49 -1.00 0.00 0.00 179.01 179.65 3kjs h GLU 237 N 0.84 0.40 -0.56 2.33 4.81 -1.89 -3.03 114.58 117.49 3kjs h GLU 237 Ca 0.16 -0.30 0.06 0.00 -0.13 0.00 0.00 59.36 59.15 3kjs h GLU 237 Cb 0.49 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.89 3kjs h GLU 237 CO 0.02 0.92 0.37 0.93 -0.73 0.00 0.00 179.01 180.52 3kjs h GLU 238 N 0.29 0.51 -0.64 1.92 5.08 -1.06 -0.74 114.58 119.95 3kjs h GLU 238 Ca -0.02 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3kjs h GLU 238 Cb 1.20 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3kjs h GLU 238 CO 0.11 0.34 0.23 0.37 -1.00 0.00 0.00 179.01 179.06 3kjs h GLN 239 N 0.53 0.97 -0.18 2.33 4.15 -1.07 0.13 115.11 121.97 3kjs h GLN 239 Ca 0.24 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3kjs h GLN 239 Cb 0.27 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3kjs h GLN 239 CO -0.07 0.83 0.08 -0.92 -1.93 0.00 0.00 178.83 176.83 3kjs h TYR 240 N 0.91 0.26 -0.26 3.99 3.20 -1.26 -2.52 116.97 121.29 3kjs h TYR 240 Ca 0.21 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.98 3kjs h TYR 240 Cb 0.25 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3kjs h TYR 240 CO 0.02 0.29 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.56 3kjs h LEU 241 N 0.15 0.47 -0.99 2.82 3.38 -0.94 -1.20 115.31 119.00 3kjs h LEU 241 Ca 0.06 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3kjs h LEU 241 Cb 0.13 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3kjs h LEU 241 CO -0.01 0.68 0.04 0.28 0.09 0.00 0.00 178.44 179.53 3kjs h SER 242 N 0.43 0.73 -0.09 -0.43 0.02 -0.71 -0.09 113.55 113.42 3kjs h SER 242 Ca 0.07 -0.16 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3kjs h SER 242 Cb 0.60 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 3kjs h SER 242 CO 0.04 0.77 -0.06 0.25 -1.14 0.00 0.00 176.83 176.69 3kjs h LEU 243 N 0.73 0.20 -0.33 5.07 5.85 -1.01 0.40 115.31 126.23 3kjs h LEU 243 Ca 0.15 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.48 3kjs h LEU 243 Cb 0.38 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.30 3kjs h LEU 243 CO 0.01 0.61 -0.01 0.58 -0.34 0.00 0.00 178.44 179.29 3kjs h VAL 244 N -0.20 0.75 -0.90 1.05 2.07 -1.09 -0.09 116.25 117.83 3kjs h VAL 244 Ca 0.02 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3kjs h VAL 244 Cb 0.54 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3kjs h VAL 244 CO 0.02 0.01 0.54 -0.78 0.02 0.00 0.00 177.57 177.38 3kjs h ASP 245 N 0.08 1.09 -0.40 0.57 3.58 -0.98 -1.82 116.42 118.55 3kjs h ASP 245 Ca 0.16 -0.07 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 3kjs h ASP 245 Cb 0.22 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 3kjs h ASP 245 CO -0.28 0.85 0.13 -0.09 -2.88 0.00 0.00 179.24 176.97 3kjs h ARG 246 N 1.25 0.61 -0.69 0.28 2.43 -0.23 -1.15 114.38 116.88 3kjs h ARG 246 Ca 0.32 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.39 3kjs h ARG 246 Cb -0.04 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3kjs h ARG 246 CO -0.06 0.61 0.43 0.82 -1.51 0.00 0.00 179.97 180.26 3kjs h ILE 247 N 0.49 1.09 -0.38 1.20 2.04 -0.68 0.40 117.51 121.68 3kjs h ILE 247 Ca 0.13 -0.29 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 3kjs h ILE 247 Cb 0.25 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 3kjs h ILE 247 CO -0.01 0.16 0.07 0.40 0.00 0.00 0.00 178.15 178.77 3kjs h ILE 248 N 0.85 1.24 -0.02 -0.67 2.04 -1.22 0.27 117.51 120.01 3kjs h ILE 248 Ca 0.28 -0.83 -0.18 0.00 1.00 0.00 0.00 64.86 65.12 3kjs h ILE 248 Cb 0.02 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3kjs h ILE 248 CO -0.11 0.28 -0.80 0.03 0.00 0.00 0.00 178.15 177.55 3kjs h ARG 249 N 0.46 0.22 0.00 2.37 3.08 -0.84 -3.40 114.38 116.28 3kjs h ARG 249 Ca 0.11 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 59.95 3kjs h ARG 249 Cb 0.35 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3kjs h ARG 249 CO 0.01 0.91 0.00 0.39 -1.07 0.00 0.00 179.97 180.21 3kjs n GLU 250 N -3.72 2.76 -2.14 0.04 1.02 0.14 -5.07 120.64 113.67 3kjs n GLU 250 Ca -0.03 -0.03 -0.37 0.00 -0.02 0.00 0.00 57.16 56.71 3kjs n GLU 250 Cb 0.75 -0.30 0.01 0.00 -0.02 0.00 0.00 31.44 31.88 3kjs n GLU 250 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3kjs s GLY 251 N -0.40 2.79 0.41 0.62 0.00 0.96 -4.98 107.32 106.72 3kjs s GLY 251 Ca 0.00 1.02 -0.19 0.00 0.00 0.00 0.00 44.72 45.55 3kjs s GLY 251 CO 0.00 1.48 0.90 -1.31 0.00 0.00 0.00 173.10 174.17 3kjs s ASN 252 N -1.31 6.87 -0.03 1.64 0.01 0.34 -4.53 114.94 117.93 3kjs s ASN 252 Ca 0.67 1.58 -0.30 0.00 -0.71 0.00 0.00 52.86 54.09 3kjs s ASN 252 Cb -0.31 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 38.82 3kjs s ASN 252 CO 0.37 -0.34 1.18 -0.69 -1.51 0.00 0.00 177.10 176.11 3kjs s VAL 253 N -2.17 4.27 0.20 1.60 1.01 -1.26 -0.06 120.40 123.98 3kjs s VAL 253 Ca 0.60 1.60 0.01 0.00 0.00 0.00 0.00 61.98 64.19 3kjs s VAL 253 Cb -0.09 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 3kjs s VAL 253 CO 0.16 0.03 0.04 -0.54 0.00 0.00 0.00 175.10 174.78 3kjs s LYS 254 N 1.93 1.20 0.04 2.72 1.02 0.11 -4.96 119.74 121.80 3kjs s LYS 254 Ca 0.56 -1.61 0.07 0.00 0.02 0.00 0.00 55.97 55.01 3kjs s LYS 254 Cb -0.25 -0.22 -0.02 0.00 -0.52 0.00 0.00 37.83 36.81 3kjs s LYS 254 CO 0.23 -0.20 -0.20 -1.01 -0.92 0.00 0.00 175.35 173.26 3kjs s HIS 255 N -3.72 1.76 0.00 3.18 3.76 -1.26 0.62 115.29 119.63 3kjs s HIS 255 Ca 0.29 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 54.83 3kjs s HIS 255 Cb 0.07 -1.06 0.00 0.00 1.11 0.00 0.00 32.58 32.70 3kjs s HIS 255 CO 0.07 0.08 0.00 -0.40 -0.85 0.00 0.00 174.74 173.64 3kjs n ASP 256 N 1.93 0.00 0.25 1.40 5.75 -0.79 -4.89 116.55 120.20 3kjs n ASP 256 Ca -0.17 -0.76 0.17 0.00 -0.01 0.00 0.00 54.79 54.02 3kjs n ASP 256 Cb 0.53 0.00 0.74 0.00 -1.03 0.00 0.00 41.12 41.36 3kjs n ASP 256 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 3kjs h ARG 257 N 0.00 0.00 -0.41 0.11 3.08 -2.01 -1.76 114.38 113.39 3kjs h ARG 257 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kjs h ARG 257 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kjs h ARG 257 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 3kjs n THR 258 N -2.84 1.69 -1.06 2.04 -2.24 -1.26 -4.97 114.28 105.64 3kjs n THR 258 Ca 0.00 -1.36 -0.02 0.00 -2.27 0.00 0.00 64.05 60.40 3kjs n THR 258 Cb 0.23 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 3kjs n THR 258 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjs n GLY 259 N 0.34 0.56 3.73 3.38 0.00 -0.66 -5.02 105.19 107.53 3kjs n GLY 259 Ca 0.19 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 3kjs n GLY 259 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjs s VAL 260 N -2.00 4.97 0.32 1.61 1.01 -1.26 -4.75 120.40 120.29 3kjs s VAL 260 Ca 0.00 1.45 -0.29 0.00 0.00 0.00 0.00 61.98 63.14 3kjs s VAL 260 Cb 0.00 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 3kjs s VAL 260 CO 0.00 0.30 1.43 -0.83 0.00 0.00 0.00 175.10 175.99 3kjs s GLY 261 N 0.49 2.69 0.15 4.51 0.00 -1.26 -1.88 107.32 112.01 3kjs s GLY 261 Ca 0.37 1.40 0.05 0.00 0.00 0.00 0.00 44.72 46.53 3kjs s GLY 261 CO 0.19 2.18 -0.11 -0.51 0.00 0.00 0.00 173.10 174.85 3kjs s THR 262 N -0.68 1.22 -0.16 0.90 -4.23 0.20 -1.84 115.64 111.05 3kjs s THR 262 Ca 0.55 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.98 3kjs s THR 262 Cb -0.43 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.58 3kjs s THR 262 CO 0.52 -0.68 0.06 -0.76 -0.54 0.00 0.00 174.62 173.22 3kjs s LEU 263 N -3.05 3.86 0.01 4.79 1.43 0.67 -0.71 118.68 125.68 3kjs s LEU 263 Ca 0.15 0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 3kjs s LEU 263 Cb 0.01 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3kjs s LEU 263 CO 0.01 0.23 -0.04 -0.55 0.23 0.00 0.00 176.35 176.23 3kjs s SER 264 N 0.05 0.38 0.13 2.29 0.15 0.91 -1.22 113.70 116.39 3kjs s SER 264 Ca 0.06 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.55 3kjs s SER 264 Cb -0.12 0.01 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 3kjs s SER 264 CO 0.01 -0.08 -0.14 0.27 1.20 0.00 0.00 173.24 174.50 3kjs s ILE 265 N -0.57 1.40 -0.23 6.45 -5.25 -0.54 -0.50 121.20 121.96 3kjs s ILE 265 Ca -0.04 -1.78 -0.05 0.00 -0.99 0.00 0.00 60.65 57.79 3kjs s ILE 265 Cb -0.04 -1.61 -0.01 0.00 2.95 0.00 0.00 42.46 43.75 3kjs s ILE 265 CO -0.00 -0.43 -0.02 0.12 -1.79 0.00 0.00 174.94 172.82 3kjs s PHE 266 N -2.22 2.99 0.00 1.37 5.36 -1.26 -1.22 117.98 123.00 3kjs s PHE 266 Ca 0.11 -0.86 0.00 0.00 -0.96 0.00 0.00 56.93 55.22 3kjs s PHE 266 Cb -0.04 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.50 3kjs s PHE 266 CO 0.03 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.69 3kjs n GLY 267 N 4.82 -1.36 3.41 13.12 0.00 -0.28 -5.02 105.19 119.89 3kjs n GLY 267 Ca -0.18 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 3kjs n GLY 267 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjs s ALA 268 N 0.00 -0.10 -0.16 4.61 0.00 -0.88 -5.01 121.76 120.23 3kjs s ALA 268 Ca 0.00 -0.86 -0.08 0.00 0.00 0.00 0.00 51.96 51.02 3kjs s ALA 268 Cb 0.00 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.13 3kjs s ALA 268 CO 0.00 -0.71 0.38 -1.14 0.00 0.00 0.00 175.76 174.29 3kjs s GLN 269 N -3.98 0.36 0.25 0.00 0.74 -1.26 -1.17 119.66 114.59 3kjs s GLN 269 Ca 0.19 0.75 0.11 0.00 0.05 0.00 0.00 55.36 56.46 3kjs s GLN 269 Cb 0.02 -0.03 -0.05 0.00 1.10 0.00 0.00 33.01 34.05 3kjs s GLN 269 CO 0.03 -0.16 -0.19 -1.64 -0.55 0.00 0.00 175.29 172.78 3kjs s MET 270 N 1.43 1.55 0.00 1.67 -1.94 0.02 -4.97 119.30 117.05 3kjs s MET 270 Ca -0.09 -1.68 0.03 0.00 -1.71 0.00 0.00 55.69 52.24 3kjs s MET 270 Cb -0.09 -1.57 -0.01 0.00 2.01 0.00 0.00 34.83 35.18 3kjs s MET 270 CO -0.12 0.29 -0.10 1.03 -0.01 0.00 0.00 175.02 176.11 3kjs s ARG 271 N -3.46 0.80 -0.03 2.03 0.52 -1.26 -0.24 118.95 117.30 3kjs s ARG 271 Ca 0.27 -0.42 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 3kjs s ARG 271 Cb -0.04 -0.76 0.03 0.00 0.52 0.00 0.00 34.95 34.70 3kjs s ARG 271 CO 0.12 0.21 0.07 -0.06 0.02 0.00 0.00 175.30 175.65 3kjs s PHE 272 N -0.36 -0.02 0.09 -0.53 0.08 0.60 -4.87 117.98 112.97 3kjs s PHE 272 Ca 0.03 0.24 -0.30 0.00 0.12 0.00 0.00 56.93 57.02 3kjs s PHE 272 Cb -0.05 -0.21 -0.05 0.00 -0.57 0.00 0.00 43.02 42.14 3kjs s PHE 272 CO -0.00 -0.12 1.05 0.45 -0.10 0.00 0.00 175.22 176.50 3kjs s SER 273 N 1.19 7.32 0.00 1.36 0.15 -1.26 -0.08 113.70 122.38 3kjs s SER 273 Ca -0.08 1.88 0.11 0.00 0.70 0.00 0.00 55.95 58.56 3kjs s SER 273 Cb -0.13 -2.59 0.29 0.00 -1.71 0.00 0.00 66.02 61.89 3kjs s SER 273 CO -0.04 -0.24 1.22 0.18 1.20 0.00 0.00 173.24 175.56 3kjs n LEU 274 N 3.21 2.85 -4.76 3.45 4.77 0.16 -4.71 117.00 121.96 3kjs n LEU 274 Ca 0.05 -1.90 -0.41 0.00 -0.03 0.00 0.00 56.01 53.71 3kjs n LEU 274 Cb 0.48 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 3kjs n LEU 274 CO 0.53 0.70 1.20 -0.13 -1.33 0.00 0.00 177.39 178.36 3kjs s ARG 275 N -0.99 4.13 -1.46 3.23 0.52 -1.20 -2.07 118.95 121.10 3kjs s ARG 275 Ca 0.23 2.56 -0.08 0.00 -0.52 0.00 0.00 55.73 57.91 3kjs s ARG 275 Cb 0.12 -3.01 0.02 0.00 0.52 0.00 0.00 34.95 32.61 3kjs s ARG 275 CO 0.16 -0.58 0.86 0.09 0.02 0.00 0.00 175.30 175.85 3kjs n ASN 276 N 1.58 -5.84 -2.93 0.23 3.02 -1.26 -2.47 115.26 107.59 3kjs n ASN 276 Ca 0.06 -0.46 -0.21 0.00 -0.03 0.00 0.00 54.58 53.94 3kjs n ASN 276 Cb 0.38 -4.67 0.01 0.00 -0.61 0.00 0.00 39.78 34.90 3kjs n ASN 276 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kjs n ASN 277 N -2.73 -5.19 -4.76 6.41 4.13 -0.88 -4.83 115.26 107.42 3kjs n ASN 277 Ca -0.04 -0.20 -0.41 0.00 1.68 0.00 0.00 54.58 55.61 3kjs n ASN 277 Cb 0.58 -4.25 -0.02 0.00 -1.54 0.00 0.00 39.78 34.54 3kjs n ASN 277 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3kjs s ARG 278 N -5.59 4.37 -0.28 3.52 3.52 -1.03 -0.45 118.95 123.01 3kjs s ARG 278 Ca 0.24 2.17 0.01 0.00 -0.13 0.00 0.00 55.73 58.01 3kjs s ARG 278 Cb -0.11 -3.11 0.05 0.00 -1.56 0.00 0.00 34.95 30.21 3kjs s ARG 278 CO 0.30 -0.22 -0.06 -1.17 -0.81 0.00 0.00 175.30 173.34 3kjs s LEU 279 N -1.11 3.66 -0.92 -0.88 2.96 -0.24 -4.46 118.68 117.68 3kjs s LEU 279 Ca 0.52 -1.32 -0.06 0.00 -0.22 0.00 0.00 54.13 53.05 3kjs s LEU 279 Cb -0.39 -1.63 -0.07 0.00 0.50 0.00 0.00 46.19 44.60 3kjs s LEU 279 CO 0.47 -0.22 2.29 -0.81 -1.32 0.00 0.00 176.35 176.76 3kjs n PRO 280 N 4.53 2.25 -2.75 0.98 -0.04 -1.26 -3.51 135.00 135.21 3kjs n PRO 280 Ca -0.14 -1.48 -0.43 0.00 -0.04 0.00 0.00 63.50 61.42 3kjs n PRO 280 Cb 0.43 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.42 3kjs n PRO 280 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3kjs s LEU 281 N 0.10 3.97 0.41 1.53 1.43 -1.26 -4.54 118.68 120.32 3kjs s LEU 281 Ca 0.45 0.82 -0.26 0.00 -1.03 0.00 0.00 54.13 54.11 3kjs s LEU 281 Cb 0.13 -3.37 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 3kjs s LEU 281 CO -0.03 -0.83 1.39 0.18 0.23 0.00 0.00 176.35 177.29 3kjs n LEU 282 N 6.74 4.57 -0.03 1.79 4.77 -1.26 -4.69 117.00 128.88 3kjs n LEU 282 Ca 0.09 1.16 -0.00 0.00 -0.03 0.00 0.00 56.01 57.22 3kjs n LEU 282 Cb 0.48 -1.57 -0.14 0.00 -2.33 0.00 0.00 43.42 39.86 3kjs n LEU 282 CO 0.57 -0.23 -0.78 0.35 -1.33 0.00 0.00 177.39 175.97 3kjs n THR 283 N 0.04 0.89 1.26 -5.08 -2.24 -1.26 -4.28 114.28 103.62 3kjs n THR 283 Ca 0.04 -0.70 0.14 0.00 -2.27 0.00 0.00 64.05 61.26 3kjs n THR 283 Cb 0.40 -0.39 0.69 0.00 -2.10 0.00 0.00 70.33 68.92 3kjs n THR 283 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3kjs n THR 284 N -2.63 0.09 -3.67 4.28 -2.24 -1.26 -0.51 114.28 108.34 3kjs n THR 284 Ca -0.17 0.02 -0.08 0.00 -2.27 0.00 0.00 64.05 61.55 3kjs n THR 284 Cb 0.88 -0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 68.46 3kjs n THR 284 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3kjs s LYS 285 N -2.64 0.48 0.15 -0.78 2.20 -1.26 -4.74 119.74 113.15 3kjs s LYS 285 Ca 0.24 1.05 -0.33 0.00 -0.36 0.00 0.00 55.97 56.57 3kjs s LYS 285 Cb 0.19 0.22 -0.13 0.00 -1.51 0.00 0.00 37.83 36.60 3kjs s LYS 285 CO 0.44 -0.19 1.66 -2.13 -0.36 0.00 0.00 175.35 174.77 3kjs n ARG 286 N 4.72 2.37 -3.78 4.03 0.63 -1.26 -4.65 116.66 118.71 3kjs n ARG 286 Ca -0.17 0.86 -0.36 0.00 -0.92 0.00 0.00 57.85 57.25 3kjs n ARG 286 Cb 0.54 -2.66 -0.07 0.00 0.45 0.00 0.00 32.46 30.71 3kjs n ARG 286 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3kjs s VAL 287 N 1.38 5.44 -0.98 5.15 1.01 -1.26 -5.02 120.40 126.12 3kjs s VAL 287 Ca 0.79 0.22 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 3kjs s VAL 287 Cb -0.62 -3.45 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 3kjs s VAL 287 CO 0.37 0.51 1.92 0.33 0.00 0.00 0.00 175.10 178.23 3kjs n PHE 288 N 2.92 2.33 -0.20 5.22 7.35 -1.26 -4.81 117.46 129.01 3kjs n PHE 288 Ca -0.17 -1.61 -0.01 0.00 -0.76 0.00 0.00 57.45 54.90 3kjs n PHE 288 Cb 0.53 -2.19 0.10 0.00 0.35 0.00 0.00 39.48 38.27 3kjs n PHE 288 CO 0.00 0.00 0.00 2.35 -0.76 0.00 0.00 176.76 178.35 3kjs h TRP 289 N 8.89 0.49 -0.72 -5.13 2.91 -1.99 -1.75 115.95 118.66 3kjs h TRP 289 Ca 0.31 0.03 0.05 0.00 1.13 0.00 0.00 58.89 60.41 3kjs h TRP 289 Cb 0.81 -0.13 -0.05 0.00 -0.51 0.00 0.00 29.16 29.28 3kjs h TRP 289 CO 1.22 0.19 0.42 -0.09 -1.03 0.00 0.00 178.44 179.15 3kjs h ARG 290 N 0.50 0.76 -0.55 2.65 2.43 -1.99 0.22 114.38 118.39 3kjs h ARG 290 Ca 0.29 -0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 3kjs h ARG 290 Cb 0.28 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3kjs h ARG 290 CO -0.24 0.50 0.16 0.78 -1.51 0.00 0.00 179.97 179.66 3kjs h GLY 291 N 0.78 0.94 0.64 2.80 0.00 -1.88 -1.15 103.07 105.21 3kjs h GLY 291 Ca 0.31 -0.57 0.04 0.00 0.00 0.00 0.00 47.33 47.11 3kjs h GLY 291 CO -0.16 0.53 0.01 -2.08 0.00 0.00 0.00 176.54 174.83 3kjs h VAL 292 N 0.78 0.84 -0.13 4.60 2.07 -0.37 -0.58 116.25 123.45 3kjs h VAL 292 Ca 0.18 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.63 3kjs h VAL 292 Cb 0.30 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3kjs h VAL 292 CO -0.00 0.02 -0.04 0.00 0.02 0.00 0.00 177.57 177.56 3kjs h GLU 294 N -0.06 0.71 -0.41 0.00 4.39 -1.15 -2.17 114.58 115.89 3kjs h GLU 294 Ca 0.03 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 3kjs h GLU 294 Cb 0.48 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 3kjs h GLU 294 CO 0.02 0.61 0.21 1.49 -1.16 0.00 0.00 179.01 180.17 3kjs h GLU 295 N 0.65 0.58 -0.20 2.33 4.81 -1.06 -2.15 114.58 119.54 3kjs h GLU 295 Ca 0.17 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3kjs h GLU 295 Cb 0.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 3kjs h GLU 295 CO -0.02 0.49 0.11 1.25 -0.73 0.00 0.00 179.01 180.11 3kjs h LEU 296 N 0.53 0.25 -1.41 1.64 5.85 -1.05 0.67 115.31 121.79 3kjs h LEU 296 Ca 0.14 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kjs h LEU 296 Cb 0.09 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 3kjs h LEU 296 CO -0.02 0.26 0.42 -0.07 -0.34 0.00 0.00 178.44 178.70 3kjs h LEU 297 N 0.22 0.67 -0.71 2.25 3.38 -1.37 0.55 115.31 120.29 3kjs h LEU 297 Ca 0.07 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3kjs h LEU 297 Cb 0.07 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3kjs h LEU 297 CO -0.01 0.46 0.18 -0.25 0.09 0.00 0.00 178.44 178.92 3kjs h TRP 298 N 0.78 1.18 0.31 1.13 7.01 -0.73 -1.12 115.95 124.50 3kjs h TRP 298 Ca 0.25 -0.14 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 3kjs h TRP 298 Cb 0.05 -0.33 0.00 0.00 -2.10 0.00 0.00 29.16 26.78 3kjs h TRP 298 CO -0.00 0.95 -0.15 0.74 -2.79 0.00 0.00 178.44 177.19 3kjs h PHE 299 N 1.06 -0.39 -0.70 2.65 0.04 0.48 -1.69 116.94 118.40 3kjs h PHE 299 Ca 0.22 -0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.07 3kjs h PHE 299 Cb 0.36 0.13 -0.04 0.00 2.20 0.00 0.00 35.95 38.59 3kjs h PHE 299 CO 0.03 -0.21 0.46 -0.07 -0.60 0.00 0.00 178.31 177.92 3kjs h LEU 300 N -0.48 0.57 0.00 1.54 3.38 -0.71 0.18 115.31 119.79 3kjs h LEU 300 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3kjs h LEU 300 Cb 0.36 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3kjs h LEU 300 CO 0.07 0.35 0.00 0.54 0.09 0.00 0.00 178.44 179.49 3kjs n ARG 301 N -4.49 0.21 -1.88 1.13 1.74 -0.45 -4.91 116.66 108.02 3kjs n ARG 301 Ca 0.11 0.07 -0.05 0.00 -0.77 0.00 0.00 57.85 57.21 3kjs n ARG 301 Cb 0.30 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.23 3kjs n ARG 301 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kjs n GLY 302 N 0.83 0.30 3.80 -0.13 0.00 0.63 -5.01 105.19 105.59 3kjs n GLY 302 Ca 0.09 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.09 3kjs n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kjs s GLU 303 N -3.85 2.92 0.00 1.61 0.41 -0.64 -4.08 118.70 115.07 3kjs s GLU 303 Ca 0.00 1.14 0.00 0.00 -0.41 0.00 0.00 54.97 55.70 3kjs s GLU 303 Cb 0.00 -1.98 0.00 0.00 -1.78 0.00 0.00 34.13 30.37 3kjs s GLU 303 CO 0.00 -1.12 0.00 0.25 -0.49 0.00 0.00 175.26 173.90 3kjs n THR 304 N -2.73 0.00 -3.10 3.63 -2.24 -1.26 -4.30 114.28 104.27 3kjs n THR 304 Ca 0.09 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.43 3kjs n THR 304 Cb 0.53 1.40 -0.06 0.00 -2.10 0.00 0.00 70.33 70.10 3kjs n THR 304 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kjs s TYR 305 N 0.00 3.01 -0.08 4.78 5.04 -1.26 -1.57 117.35 127.27 3kjs s TYR 305 Ca 0.00 -0.36 0.30 0.00 -2.44 0.00 0.00 57.07 54.58 3kjs s TYR 305 Cb 0.00 -3.57 1.30 0.00 0.35 0.00 0.00 41.96 40.04 3kjs s TYR 305 CO 0.00 -1.04 1.90 0.00 -1.34 0.00 0.00 175.55 175.07 3kjs h ALA 306 N 9.02 1.00 0.00 3.97 0.00 -0.83 -2.74 119.26 129.67 3kjs h ALA 306 Ca -0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 3kjs h ALA 306 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3kjs h ALA 306 CO 0.97 0.00 -0.12 -0.22 0.00 0.00 0.00 179.25 179.87 3kjs h LYS 307 N 0.00 0.00 -0.25 0.00 3.64 -1.91 0.28 116.57 118.34 3kjs h LYS 307 Ca 0.00 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 3kjs h LYS 307 Cb 0.41 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3kjs h LYS 307 CO 0.00 0.12 0.18 0.87 -2.27 0.00 0.00 179.45 178.35 3kjs h LYS 308 N 0.00 0.00 0.16 1.90 1.57 -1.87 -1.73 116.57 116.60 3kjs h LYS 308 Ca -0.00 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.42 3kjs h LYS 308 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kjs h LYS 308 CO 0.02 0.00 -1.84 -0.07 -0.57 0.00 0.00 179.45 176.98 3kjs h LEU 309 N 0.00 0.52 -1.56 2.94 3.38 -1.17 -3.37 115.31 116.05 3kjs h LEU 309 Ca 0.12 -0.91 -0.05 0.00 0.09 0.00 0.00 57.88 57.13 3kjs h LEU 309 Cb 0.48 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3kjs h LEU 309 CO -0.00 1.79 -0.23 0.77 0.09 0.00 0.00 178.44 180.86 3kjs h SER 310 N 0.09 0.00 0.91 -0.43 4.64 -0.98 -0.50 113.55 117.28 3kjs h SER 310 Ca -0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3kjs h SER 310 Cb 2.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.16 3kjs h SER 310 CO 0.14 0.23 0.00 0.44 -0.87 0.00 0.00 176.83 176.77 3kjs h ASP 311 N 0.00 0.00 -0.48 4.97 3.32 -1.49 -1.58 116.42 121.17 3kjs h ASP 311 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kjs h ASP 311 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3kjs h ASP 311 CO 0.03 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.84 3kjs n LYS 312 N -3.05 4.27 -1.62 3.56 5.02 -1.05 -4.92 118.16 120.36 3kjs n LYS 312 Ca 0.00 -3.06 -0.09 0.00 -2.02 0.00 0.00 58.31 53.13 3kjs n LYS 312 Cb 0.28 -2.13 -0.03 0.00 -0.02 0.00 0.00 35.03 33.13 3kjs n LYS 312 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kjs n GLY 313 N 0.27 0.68 3.32 0.72 0.00 -0.59 -4.99 105.19 104.59 3kjs n GLY 313 Ca 0.26 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 3kjs n GLY 313 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjs s VAL 314 N -2.40 4.67 -0.81 1.61 1.01 -0.22 -4.96 120.40 119.30 3kjs s VAL 314 Ca 0.00 -1.26 0.16 0.00 0.00 0.00 0.00 61.98 60.88 3kjs s VAL 314 Cb 0.00 -3.83 0.62 0.00 0.00 0.00 0.00 36.38 33.17 3kjs s VAL 314 CO 0.00 -0.55 1.53 1.41 0.00 0.00 0.00 175.10 177.49 3kjs n HIS 315 N 5.04 1.24 0.28 5.22 8.25 -1.26 -2.63 115.22 131.36 3kjs n HIS 315 Ca -0.11 -0.66 0.12 0.00 -0.26 0.00 0.00 57.72 56.81 3kjs n HIS 315 Cb 0.43 -0.24 0.78 0.00 1.12 0.00 0.00 29.99 32.07 3kjs n HIS 315 CO 0.00 0.00 0.00 -0.84 0.64 0.00 0.00 176.34 176.14 3kjs h ILE 316 N 3.22 0.72 -0.03 1.59 3.07 -1.94 -2.21 117.51 121.93 3kjs h ILE 316 Ca 0.00 -0.14 0.00 0.00 1.55 0.00 0.00 64.86 66.27 3kjs h ILE 316 Cb 1.37 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 3kjs h ILE 316 CO 0.21 0.04 -0.05 0.79 -1.05 0.00 0.00 178.15 178.08 3kjs n TRP 317 N -4.05 0.00 -0.13 0.16 7.02 -1.26 -4.59 117.44 114.59 3kjs n TRP 317 Ca -0.03 0.00 -0.04 0.00 -1.02 0.00 0.00 57.50 56.41 3kjs n TRP 317 Cb 0.12 -0.00 0.02 0.00 -2.42 0.00 0.00 31.31 29.03 3kjs n TRP 317 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 3kjs h ASP 318 N 4.13 -0.35 -0.79 -0.99 5.19 -1.73 -1.16 116.42 120.72 3kjs h ASP 318 Ca 0.00 0.12 -0.01 0.00 -0.62 0.00 0.00 57.03 56.52 3kjs h ASP 318 Cb 0.90 0.25 -0.04 0.00 0.18 0.00 0.00 39.33 40.62 3kjs h ASP 318 CO 0.00 -0.13 0.46 0.44 -3.12 0.00 0.00 179.24 176.89 3kjs h ASP 319 N 0.01 0.97 0.25 6.45 3.32 -1.81 -2.76 116.42 122.85 3kjs h ASP 319 Ca 0.20 -0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3kjs h ASP 319 Cb 0.30 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3kjs h ASP 319 CO -0.42 0.76 -0.15 0.59 -1.72 0.00 0.00 179.24 178.31 3kjs n ASN 320 N -4.45 0.80 -0.45 6.45 3.02 -0.96 -3.66 115.26 116.00 3kjs n ASN 320 Ca 0.08 -0.84 0.07 0.00 -0.03 0.00 0.00 54.58 53.86 3kjs n ASN 320 Cb 0.07 0.02 0.03 0.00 -0.61 0.00 0.00 39.78 39.29 3kjs n ASN 320 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjs n GLY 321 N 1.28 -0.05 3.77 7.41 0.00 -0.48 -4.56 105.19 112.56 3kjs n GLY 321 Ca 0.15 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.43 3kjs n GLY 321 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3kjs s SER 322 N -1.41 5.22 0.23 1.61 1.04 -1.06 0.54 113.70 119.87 3kjs s SER 322 Ca 0.14 2.09 -0.07 0.00 0.48 0.00 0.00 55.95 58.59 3kjs s SER 322 Cb 0.11 -2.56 0.39 0.00 0.10 0.00 0.00 66.02 64.06 3kjs s SER 322 CO 0.25 -1.56 1.69 -0.09 0.98 0.00 0.00 173.24 174.51 3kjs h ARG 323 N 0.38 0.25 0.10 4.02 9.65 -1.93 -1.28 114.38 125.56 3kjs h ARG 323 Ca -0.48 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 3kjs h ARG 323 Cb 1.26 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.76 3kjs h ARG 323 CO 0.55 0.17 -0.14 0.00 2.80 0.00 0.00 179.97 183.34 3kjs h ALA 324 N 1.56 -0.24 -0.42 2.80 0.00 -1.95 -1.86 119.26 119.16 3kjs h ALA 324 Ca 0.37 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 3kjs h ALA 324 Cb 0.61 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3kjs h ALA 324 CO -0.48 -0.66 -0.07 0.35 0.00 0.00 0.00 179.25 178.39 3kjs h PHE 325 N -0.28 0.88 -0.60 0.00 3.04 -1.73 -1.68 116.94 116.58 3kjs h PHE 325 Ca 0.02 -0.18 -0.00 0.00 3.98 0.00 0.00 57.97 61.79 3kjs h PHE 325 Cb 0.29 -0.22 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 3kjs h PHE 325 CO -0.15 0.89 0.36 -0.07 -2.02 0.00 0.00 178.31 177.33 3kjs h LEU 326 N 0.61 0.71 -0.80 0.59 3.38 -1.25 -1.89 115.31 116.66 3kjs h LEU 326 Ca 0.11 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3kjs h LEU 326 Cb 0.59 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3kjs h LEU 326 CO 0.04 0.55 0.52 0.44 0.09 0.00 0.00 178.44 180.08 3kjs h ASP 327 N 0.81 0.88 0.71 -0.43 3.32 -1.19 0.17 116.42 120.68 3kjs h ASP 327 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3kjs h ASP 327 Cb -0.03 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3kjs h ASP 327 CO -0.04 0.62 0.00 0.77 -1.72 0.00 0.00 179.24 178.87 3kjs h SER 328 N 1.04 0.00 -0.01 6.45 4.64 -0.91 -0.56 113.55 124.20 3kjs h SER 328 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3kjs h SER 328 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 3kjs h SER 328 CO -0.09 0.00 -0.03 -1.14 -0.87 0.00 0.00 176.83 174.70 3kjs n ARG 329 N -2.94 1.86 -0.91 4.77 3.00 -0.64 -4.93 116.66 116.86 3kjs n ARG 329 Ca -0.00 -1.31 0.00 0.00 -0.00 0.00 0.00 57.85 56.54 3kjs n ARG 329 Cb 0.23 -1.47 0.00 0.00 0.00 0.00 0.00 32.46 31.22 3kjs n ARG 329 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kjs n GLY 330 N 1.26 0.58 2.64 5.14 0.00 -0.22 -4.97 105.19 109.63 3kjs n GLY 330 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3kjs n GLY 330 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3kjs n LEU 331 N 0.00 7.43 0.12 0.99 4.77 0.50 -4.74 117.00 126.07 3kjs n LEU 331 Ca 0.00 -5.19 0.13 0.00 -0.03 0.00 0.00 56.01 50.92 3kjs n LEU 331 Cb 0.00 -1.25 0.43 0.00 -2.33 0.00 0.00 43.42 40.27 3kjs n LEU 331 CO 0.00 1.98 0.88 0.35 -1.33 0.00 0.00 177.39 179.27 3kjs n THR 332 N 0.77 0.67 0.38 -5.08 -2.24 -1.26 -3.16 114.28 104.36 3kjs n THR 332 Ca 0.49 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 62.24 3kjs n THR 332 Cb 0.27 -0.75 0.10 0.00 -2.10 0.00 0.00 70.33 67.84 3kjs n THR 332 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3kjs h GLU 333 N 0.00 0.00 -6.79 -0.78 5.08 -1.96 -3.47 114.58 106.67 3kjs h GLU 333 Ca 0.00 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.86 3kjs h GLU 333 Cb 0.64 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.90 3kjs h GLU 333 CO 0.00 0.00 0.47 0.71 -1.00 0.00 0.00 179.01 179.19 3kjs s TYR 334 N -3.24 3.61 0.71 4.33 2.02 -1.19 -5.04 117.35 118.55 3kjs s TYR 334 Ca 0.04 1.70 -0.15 0.00 -0.37 0.00 0.00 57.07 58.29 3kjs s TYR 334 Cb 0.12 -3.26 0.03 0.00 -0.40 0.00 0.00 41.96 38.44 3kjs s TYR 334 CO 0.75 -0.49 1.21 -1.21 -1.57 0.00 0.00 175.55 174.24 3kjs s GLU 335 N -1.31 2.25 0.20 -0.62 2.02 -1.26 -4.91 118.70 115.06 3kjs s GLU 335 Ca 0.45 1.76 -0.32 0.00 0.02 0.00 0.00 54.97 56.87 3kjs s GLU 335 Cb -0.31 -1.85 -0.15 0.00 0.10 0.00 0.00 34.13 31.93 3kjs s GLU 335 CO 0.40 -1.75 1.32 -1.91 0.02 0.00 0.00 175.26 173.33 3kjs n GLU 336 N -2.59 1.64 -0.79 1.61 2.13 -1.26 -1.29 120.64 120.08 3kjs n GLU 336 Ca 0.13 0.58 0.00 0.00 0.66 0.00 0.00 57.16 58.54 3kjs n GLU 336 Cb 0.50 -2.18 0.00 0.00 0.27 0.00 0.00 31.44 30.03 3kjs n GLU 336 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3kjs n MET 337 N 2.05 0.00 -2.66 5.31 2.81 0.19 -4.89 117.12 119.93 3kjs n MET 337 Ca 0.14 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.60 3kjs n MET 337 Cb 0.28 -2.58 -0.02 0.00 -0.71 0.00 0.00 33.22 30.18 3kjs n MET 337 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3kjs s ASP 338 N -3.03 6.68 0.00 7.83 -1.08 -0.42 -0.05 116.67 126.61 3kjs s ASP 338 Ca 0.00 0.55 0.26 0.00 -0.52 0.00 0.00 52.55 52.84 3kjs s ASP 338 Cb 0.00 -2.53 0.70 0.00 -1.46 0.00 0.00 42.92 39.63 3kjs s ASP 338 CO 0.00 -1.11 1.54 0.18 0.52 0.00 0.00 175.17 176.29 3kjs n LEU 339 N 7.46 0.77 0.00 -1.34 4.77 -0.61 -4.79 117.00 123.26 3kjs n LEU 339 Ca 0.11 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3kjs n LEU 339 Cb 0.48 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3kjs n LEU 339 CO 0.67 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 3kjs n GLY 340 N 1.40 -2.02 2.35 -0.72 0.00 -1.26 -0.67 105.19 104.27 3kjs n GLY 340 Ca 0.10 -1.55 -0.23 0.00 0.00 0.00 0.00 46.02 44.33 3kjs n GLY 340 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kjs n PRO 341 N 0.00 2.43 -2.05 1.61 -0.04 -1.26 -4.80 135.00 130.89 3kjs n PRO 341 Ca 0.00 -1.47 -0.30 0.00 -0.04 0.00 0.00 63.50 61.68 3kjs n PRO 341 Cb 0.00 -2.38 0.01 0.00 -0.04 0.00 0.00 33.50 31.09 3kjs n PRO 341 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3kjs s VAL 342 N 2.38 4.74 0.00 0.52 -7.23 -1.26 -4.34 120.40 115.21 3kjs s VAL 342 Ca 0.53 0.77 0.00 0.00 -1.81 0.00 0.00 61.98 61.47 3kjs s VAL 342 Cb 0.17 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.25 3kjs s VAL 342 CO -0.03 -1.06 0.00 -1.22 -0.31 0.00 0.00 175.10 172.47 3kjs n TYR 343 N -2.58 0.00 -0.04 2.82 4.01 -1.26 -0.58 117.16 119.52 3kjs n TYR 343 Ca 0.05 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.94 3kjs n TYR 343 Cb 0.54 0.00 0.59 0.00 -0.31 0.00 0.00 39.34 40.16 3kjs n TYR 343 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3kjs h GLY 344 N 0.00 0.33 1.00 2.72 0.00 -1.80 0.65 103.07 105.96 3kjs h GLY 344 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3kjs h GLY 344 CO 0.00 0.05 0.39 -2.75 0.00 0.00 0.00 176.54 174.23 3kjs h PHE 345 N 0.22 0.80 -0.29 5.60 3.04 -0.99 -0.74 116.94 124.57 3kjs h PHE 345 Ca 0.26 0.01 -0.14 0.00 3.98 0.00 0.00 57.97 62.08 3kjs h PHE 345 Cb 0.73 -0.27 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 3kjs h PHE 345 CO -0.00 0.53 -0.38 1.96 -2.02 0.00 0.00 178.31 178.39 3kjs h GLN 346 N 0.84 0.69 -0.59 1.11 1.08 -1.00 0.87 115.11 118.10 3kjs h GLN 346 Ca 0.22 -0.35 0.06 0.00 -1.45 0.00 0.00 58.65 57.14 3kjs h GLN 346 Cb -0.05 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.33 3kjs h GLN 346 CO -0.04 0.96 0.30 -1.49 -0.95 0.00 0.00 178.83 177.60 3kjs h TRP 347 N 0.57 0.54 0.00 2.96 4.06 -0.80 -2.19 115.95 121.09 3kjs h TRP 347 Ca 0.05 0.02 -0.13 0.00 2.06 0.00 0.00 58.89 60.89 3kjs h TRP 347 Cb 0.91 -0.15 -0.02 0.00 -1.00 0.00 0.00 29.16 28.89 3kjs h TRP 347 CO 0.04 0.24 -2.09 0.54 -3.56 0.00 0.00 178.44 173.61 3kjs n ARG 348 N -4.87 0.67 -2.69 0.49 5.12 -0.32 -1.14 116.66 113.91 3kjs n ARG 348 Ca 0.07 -0.11 -0.07 0.00 -1.93 0.00 0.00 57.85 55.81 3kjs n ARG 348 Cb 0.18 -1.54 0.04 0.00 -1.16 0.00 0.00 32.46 29.98 3kjs n ARG 348 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3kjs n HIS 349 N -2.46 1.40 -1.66 -1.55 8.25 0.30 -3.14 115.22 116.37 3kjs n HIS 349 Ca -0.14 -2.50 -0.50 0.00 -0.26 0.00 0.00 57.72 54.32 3kjs n HIS 349 Cb 0.78 -0.30 -0.05 0.00 1.12 0.00 0.00 29.99 31.54 3kjs n HIS 349 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3kjs n PHE 350 N -0.35 2.09 -0.04 4.41 -0.00 -0.56 -1.49 117.46 121.53 3kjs n PHE 350 Ca 0.12 0.31 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 3kjs n PHE 350 Cb 0.81 -2.52 0.00 0.00 -0.00 0.00 0.00 39.48 37.77 3kjs n PHE 350 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3kjs n GLY 351 N 3.61 1.85 3.77 7.13 0.00 -1.26 -0.90 105.19 119.38 3kjs n GLY 351 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 3kjs n GLY 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kjs s ALA 352 N -2.67 3.48 0.35 4.61 0.00 -0.56 -4.87 121.76 122.10 3kjs s ALA 352 Ca 0.00 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.86 3kjs s ALA 352 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 3kjs s ALA 352 CO 0.00 -0.54 1.45 0.00 0.00 0.00 0.00 175.76 176.67 3kjs s ALA 353 N -1.14 3.58 -0.08 0.00 0.00 -1.26 -4.99 121.76 117.87 3kjs s ALA 353 Ca 0.48 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.92 3kjs s ALA 353 Cb -0.38 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 3kjs s ALA 353 CO 0.50 -0.92 -0.05 -0.47 0.00 0.00 0.00 175.76 174.82 3kjs s TYR 354 N -0.91 2.99 0.01 0.00 5.04 -1.26 -5.01 117.35 118.21 3kjs s TYR 354 Ca 0.53 0.04 0.00 0.00 -2.44 0.00 0.00 57.07 55.21 3kjs s TYR 354 Cb -0.45 -1.74 0.00 0.00 0.35 0.00 0.00 41.96 40.12 3kjs s TYR 354 CO 0.57 0.34 0.00 0.25 -1.34 0.00 0.00 175.55 175.38 3kjs n THR 355 N 2.27 0.14 -4.08 4.34 -2.24 -1.26 -5.08 114.28 108.36 3kjs n THR 355 Ca -0.18 0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 3kjs n THR 355 Cb 0.53 -1.04 -0.09 0.00 -2.10 0.00 0.00 70.33 67.63 3kjs n THR 355 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3kjs s HIS 356 N -1.12 0.72 0.28 4.78 3.76 -1.26 -4.93 115.29 117.52 3kjs s HIS 356 Ca 0.00 -1.07 0.01 0.00 -0.15 0.00 0.00 55.06 53.85 3kjs s HIS 356 Cb 0.00 -0.31 0.40 0.00 1.11 0.00 0.00 32.58 33.77 3kjs s HIS 356 CO 0.00 -0.63 1.73 1.12 -0.85 0.00 0.00 174.74 176.11 3kjs h HIS 357 N 2.68 0.62 -0.06 1.40 2.07 -1.97 -3.15 115.15 116.75 3kjs h HIS 357 Ca -0.34 -0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.07 3kjs h HIS 357 Cb 1.22 -0.16 0.00 0.00 2.57 0.00 0.00 27.41 31.04 3kjs h HIS 357 CO 0.41 0.71 0.00 -0.40 -3.07 0.00 0.00 177.93 175.58 3kjs n ASP 358 N -4.15 0.58 -4.89 3.10 5.75 -1.26 -4.89 116.55 110.78 3kjs n ASP 358 Ca 0.00 -1.53 -0.29 0.00 -0.01 0.00 0.00 54.79 52.96 3kjs n ASP 358 Cb 0.38 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.43 3kjs n ASP 358 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kjs s ALA 359 N -1.93 3.29 -0.20 2.12 0.00 -1.19 -5.04 121.76 118.81 3kjs s ALA 359 Ca 0.29 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.66 3kjs s ALA 359 Cb 0.14 -2.77 -0.01 0.00 0.00 0.00 0.00 23.12 20.48 3kjs s ALA 359 CO 0.23 -0.46 0.82 1.21 0.00 0.00 0.00 175.76 177.55 3kjs s ASN 360 N -4.10 6.89 0.00 0.00 2.47 -1.26 -4.93 114.94 114.01 3kjs s ASN 360 Ca 0.50 1.10 0.05 0.00 0.42 0.00 0.00 52.86 54.94 3kjs s ASN 360 Cb -0.11 -2.44 0.09 0.00 -1.45 0.00 0.00 41.25 37.34 3kjs s ASN 360 CO 0.48 -0.43 0.86 -1.22 -3.72 0.00 0.00 177.10 173.07 3kjs n TYR 361 N 5.48 0.09 -1.59 0.43 4.01 -1.26 -5.03 117.16 119.30 3kjs n TYR 361 Ca 0.04 -0.21 -0.55 0.00 -0.16 0.00 0.00 57.90 57.02 3kjs n TYR 361 Cb 0.48 -0.02 -0.07 0.00 -0.31 0.00 0.00 39.34 39.43 3kjs n TYR 361 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3kjs n ASP 362 N 0.16 1.29 -0.30 7.72 8.00 -1.26 -1.42 116.55 130.74 3kjs n ASP 362 Ca 0.04 1.13 -0.04 0.00 0.71 0.00 0.00 54.79 56.63 3kjs n ASP 362 Cb 0.22 -1.10 -0.02 0.00 -0.02 0.00 0.00 41.12 40.20 3kjs n ASP 362 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kjs n GLY 363 N 2.53 0.60 3.74 0.44 0.00 -1.26 -5.00 105.19 106.24 3kjs n GLY 363 Ca 0.20 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kjs n GLY 363 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3kjs s GLN 364 N -1.71 3.04 1.14 1.61 -0.21 -0.51 -5.01 119.66 118.01 3kjs s GLN 364 Ca 0.00 -0.43 0.00 0.00 0.02 0.00 0.00 55.36 54.95 3kjs s GLN 364 Cb 0.00 -2.85 0.00 0.00 1.00 0.00 0.00 33.01 31.16 3kjs s GLN 364 CO 0.00 0.68 0.00 0.41 -2.12 0.00 0.00 175.29 174.26 3kjs n GLY 365 N 1.71 -1.56 3.65 3.09 0.00 -1.26 -4.41 105.19 106.41 3kjs n GLY 365 Ca -0.16 -1.18 -0.38 0.00 0.00 0.00 0.00 46.02 44.30 3kjs n GLY 365 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kjs s VAL 366 N -0.72 5.19 -0.87 1.61 1.01 -0.08 -4.69 120.40 121.85 3kjs s VAL 366 Ca 0.00 0.65 -0.21 0.00 0.00 0.00 0.00 61.98 62.42 3kjs s VAL 366 Cb 0.00 -3.71 0.09 0.00 0.00 0.00 0.00 36.38 32.75 3kjs s VAL 366 CO 0.00 0.22 1.18 -0.62 0.00 0.00 0.00 175.10 175.88 3kjs s ASP 367 N 1.25 6.45 0.15 3.32 -1.08 -1.19 -1.49 116.67 124.08 3kjs s ASP 367 Ca 0.17 -1.50 -0.09 0.00 -0.52 0.00 0.00 52.55 50.61 3kjs s ASP 367 Cb -0.15 -2.46 -0.01 0.00 -1.46 0.00 0.00 42.92 38.84 3kjs s ASP 367 CO 0.08 -1.33 1.48 1.56 0.52 0.00 0.00 175.17 177.48 3kjs h GLN 368 N 9.36 0.85 -0.35 4.34 4.20 -1.37 -2.49 115.11 129.65 3kjs h GLN 368 Ca 0.02 -0.48 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 3kjs h GLN 368 Cb 1.03 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.83 3kjs h GLN 368 CO 1.22 1.12 0.13 0.82 -0.67 0.00 0.00 178.83 181.45 3kjs h ILE 369 N 0.68 1.19 -0.50 2.54 1.08 -1.88 -1.37 117.51 119.25 3kjs h ILE 369 Ca 0.04 -0.60 0.06 0.00 -0.39 0.00 0.00 64.86 63.98 3kjs h ILE 369 Cb 1.03 0.93 -0.06 0.00 -3.07 0.00 0.00 36.82 35.65 3kjs h ILE 369 CO 0.10 0.21 0.19 0.50 -0.69 0.00 0.00 178.15 178.46 3kjs h LYS 370 N 0.42 0.36 -0.47 2.37 1.63 -1.87 -1.64 116.57 117.38 3kjs h LYS 370 Ca 0.12 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3kjs h LYS 370 Cb 0.20 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.73 3kjs h LYS 370 CO -0.01 0.24 0.10 0.00 -3.45 0.00 0.00 179.45 176.33 3kjs h ALA 371 N 1.32 0.62 -0.41 5.00 0.00 -1.22 -2.46 119.26 122.12 3kjs h ALA 371 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kjs h ALA 371 Cb 0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kjs h ALA 371 CO -0.23 0.32 0.23 0.82 0.00 0.00 0.00 179.25 180.39 3kjs h ILE 372 N 0.63 1.14 -0.93 0.00 2.04 -1.02 -1.17 117.51 118.21 3kjs h ILE 372 Ca 0.15 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.67 3kjs h ILE 372 Cb 0.35 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.01 3kjs h ILE 372 CO 0.00 0.15 0.61 0.58 0.00 0.00 0.00 178.15 179.49 3kjs h VAL 373 N 0.53 1.21 -0.31 1.67 2.07 -1.15 -0.46 116.25 119.82 3kjs h VAL 373 Ca 0.14 -0.42 -0.16 0.00 0.82 0.00 0.00 66.70 67.08 3kjs h VAL 373 Cb 0.03 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.67 3kjs h VAL 373 CO -0.03 0.22 -0.45 -0.33 0.02 0.00 0.00 177.57 177.01 3kjs h GLU 374 N 1.23 0.85 -0.45 1.57 4.39 -1.18 -3.14 114.58 117.85 3kjs h GLU 374 Ca 0.35 -0.50 -0.12 0.00 0.34 0.00 0.00 59.36 59.43 3kjs h GLU 374 Cb -0.09 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.59 3kjs h GLU 374 CO -0.09 1.14 -0.22 1.15 -1.16 0.00 0.00 179.01 179.83 3kjs h THR 375 N 0.63 1.27 -0.24 1.13 2.02 -0.92 -2.88 112.91 113.92 3kjs h THR 375 Ca 0.03 -1.36 0.03 0.00 0.77 0.00 0.00 66.41 65.88 3kjs h THR 375 Cb 1.05 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 3kjs h THR 375 CO 0.10 0.46 0.16 -0.07 0.37 0.00 0.00 175.52 176.55 3kjs h LEU 376 N 0.78 0.17 0.04 2.58 3.38 -1.12 0.25 115.31 121.40 3kjs h LEU 376 Ca 0.10 -0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 3kjs h LEU 376 Cb 0.77 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3kjs h LEU 376 CO 0.06 0.12 -1.13 0.11 0.09 0.00 0.00 178.44 177.69 3kjs h LYS 377 N 0.20 0.09 0.00 1.13 1.57 -1.46 -3.36 116.57 114.73 3kjs h LYS 377 Ca 0.10 -0.15 -0.34 0.00 -1.87 0.00 0.00 60.65 58.38 3kjs h LYS 377 Cb 0.16 0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3kjs h LYS 377 CO -0.02 1.04 -2.27 0.25 -0.57 0.00 0.00 179.45 177.89 3kjs n THR 378 N -3.39 1.27 -3.50 -0.16 -2.24 -1.03 -4.84 114.28 100.38 3kjs n THR 378 Ca -0.04 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 3kjs n THR 378 Cb 0.97 -1.40 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 3kjs n THR 378 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3kjs n ASN 379 N -3.34 1.01 0.28 3.42 3.02 0.86 -4.98 115.26 115.53 3kjs n ASN 379 Ca -0.41 -2.76 0.18 0.00 -0.03 0.00 0.00 54.58 51.57 3kjs n ASN 379 Cb 0.90 -0.63 0.88 0.00 -0.61 0.00 0.00 39.78 40.31 3kjs n ASN 379 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3kjs h PRO 380 N 5.15 0.00 0.00 3.52 0.13 -1.71 -2.13 132.00 136.96 3kjs h PRO 380 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 3kjs h PRO 380 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kjs h PRO 380 CO 0.53 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.05 3kjs n ASP 381 N -2.92 0.00 -4.68 1.44 8.00 -1.26 -4.12 116.55 113.01 3kjs n ASP 381 Ca -0.01 -0.11 -0.41 0.00 0.71 0.00 0.00 54.79 54.97 3kjs n ASP 381 Cb 0.17 -0.29 0.01 0.00 -0.02 0.00 0.00 41.12 40.99 3kjs n ASP 381 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3kjs n ASP 382 N -1.29 2.31 -0.85 -2.24 2.03 -0.80 -4.93 116.55 110.77 3kjs n ASP 382 Ca 0.13 1.10 0.08 0.00 0.52 0.00 0.00 54.79 56.62 3kjs n ASP 382 Cb 0.23 -1.47 0.23 0.00 -0.72 0.00 0.00 41.12 39.39 3kjs n ASP 382 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 3kjs n ARG 383 N 0.10 2.98 -0.07 -0.67 1.74 -1.26 -4.46 116.66 115.02 3kjs n ARG 383 Ca 0.07 -2.58 0.05 0.00 -0.77 0.00 0.00 57.85 54.62 3kjs n ARG 383 Cb 0.39 -1.66 0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3kjs n ARG 383 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kjs n ARG 384 N -0.08 1.75 -1.98 5.56 1.74 -1.26 -4.91 116.66 117.47 3kjs n ARG 384 Ca 0.18 -1.90 -0.42 0.00 -0.77 0.00 0.00 57.85 54.94 3kjs n ARG 384 Cb 0.74 -1.16 0.00 0.00 -1.02 0.00 0.00 32.46 31.02 3kjs n ARG 384 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kjs n MET 385 N -0.87 3.11 -4.64 5.56 2.81 -1.26 -4.89 117.12 116.94 3kjs n MET 385 Ca 0.08 -2.94 -0.26 0.00 -1.81 0.00 0.00 57.70 52.77 3kjs n MET 385 Cb 0.49 -3.19 -0.14 0.00 -0.71 0.00 0.00 33.22 29.67 3kjs n MET 385 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3kjs s LEU 386 N 1.60 2.17 0.09 4.03 1.02 -1.26 -0.75 118.68 125.59 3kjs s LEU 386 Ca 0.45 -0.53 0.07 0.00 0.02 0.00 0.00 54.13 54.14 3kjs s LEU 386 Cb 0.12 -0.98 -0.03 0.00 0.02 0.00 0.00 46.19 45.31 3kjs s LEU 386 CO -0.05 0.16 -0.18 0.72 0.02 0.00 0.00 176.35 177.02 3kjs s PHE 387 N -0.81 1.56 0.04 0.29 -0.12 -0.25 -5.00 117.98 113.69 3kjs s PHE 387 Ca 0.08 -0.44 0.01 0.00 -0.05 0.00 0.00 56.93 56.53 3kjs s PHE 387 Cb -0.09 -0.85 -0.03 0.00 -0.63 0.00 0.00 43.02 41.42 3kjs s PHE 387 CO 0.02 0.15 -0.06 -0.08 -0.05 0.00 0.00 175.22 175.20 3kjs s THR 388 N -1.29 0.42 -0.39 -4.49 -1.32 -1.26 -1.43 115.64 105.88 3kjs s THR 388 Ca 0.04 -1.19 0.05 0.00 -1.21 0.00 0.00 61.69 59.38 3kjs s THR 388 Cb -0.10 -0.70 -0.01 0.00 -1.51 0.00 0.00 72.50 70.18 3kjs s THR 388 CO 0.04 -0.52 0.39 0.00 -2.21 0.00 0.00 174.62 172.32 3kjs n ALA 389 N 1.23 2.53 -2.41 11.08 0.00 -0.23 -4.30 120.51 128.41 3kjs n ALA 389 Ca -0.21 -0.31 -0.37 0.00 0.00 0.00 0.00 53.44 52.55 3kjs n ALA 389 Cb 0.56 -0.16 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 3kjs n ALA 389 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kjs s TRP 390 N -0.96 2.37 -0.49 0.00 -0.11 -1.24 -4.76 118.94 113.76 3kjs s TRP 390 Ca 0.03 -0.56 -0.03 0.00 1.22 0.00 0.00 56.10 56.76 3kjs s TRP 390 Cb 0.04 -4.51 0.13 0.00 -1.50 0.00 0.00 33.47 27.63 3kjs s TRP 390 CO 0.13 -1.80 0.29 1.21 -4.62 0.00 0.00 176.95 172.15 3kjs s ASN 391 N 5.62 5.23 0.42 5.86 3.84 -1.26 -4.98 114.94 129.67 3kjs s ASN 391 Ca 0.55 -2.35 0.20 0.00 0.21 0.00 0.00 52.86 51.47 3kjs s ASN 391 Cb -0.01 -1.83 1.15 0.00 -0.55 0.00 0.00 41.25 40.01 3kjs s ASN 391 CO -0.02 -0.47 1.80 -0.65 -2.79 0.00 0.00 177.10 174.96 3kjs h PRO 392 N 7.65 0.34 -0.26 0.43 0.11 -2.01 0.66 132.00 138.92 3kjs h PRO 392 Ca -0.09 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.95 3kjs h PRO 392 Cb 1.01 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3kjs h PRO 392 CO 0.70 0.22 -0.08 0.77 -0.21 0.00 0.00 178.00 179.40 3kjs h SER 393 N 0.35 0.39 -0.01 -2.05 0.02 -2.00 -3.25 113.55 107.00 3kjs h SER 393 Ca 0.56 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 3kjs h SER 393 Cb 1.51 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.95 3kjs h SER 393 CO -0.23 0.52 -0.56 0.00 -1.14 0.00 0.00 176.83 175.42 3kjs n ALA 394 N -2.48 3.67 -0.15 3.77 0.00 0.11 -4.56 120.51 120.87 3kjs n ALA 394 Ca 0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 53.44 52.90 3kjs n ALA 394 Cb 0.28 -0.60 0.05 0.00 0.00 0.00 0.00 19.45 19.17 3kjs n ALA 394 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kjs h LEU 395 N 1.01 -0.26 -1.94 0.00 3.38 -1.28 -1.07 115.31 115.16 3kjs h LEU 395 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kjs h LEU 395 Cb 0.49 0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3kjs h LEU 395 CO 0.00 -0.09 0.00 -0.65 0.09 0.00 0.00 178.44 177.79 3kjs h PRO 396 N 0.09 0.00 -0.01 1.13 0.11 -1.80 -1.56 132.00 129.96 3kjs h PRO 396 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3kjs h PRO 396 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 3kjs h PRO 396 CO -0.42 0.00 -0.26 0.54 -0.21 0.00 0.00 178.00 177.65 3kjs n ARG 397 N -2.80 0.67 -3.53 1.05 1.74 -0.42 -4.91 116.66 108.45 3kjs n ARG 397 Ca -0.01 -0.36 -0.30 0.00 -0.77 0.00 0.00 57.85 56.41 3kjs n ARG 397 Cb 0.15 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.06 3kjs n ARG 397 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3kjs s MET 398 N -2.58 3.63 0.12 5.56 -1.94 -0.59 -4.17 119.30 119.34 3kjs s MET 398 Ca 0.23 -0.05 -0.17 0.00 -1.71 0.00 0.00 55.69 53.98 3kjs s MET 398 Cb 0.19 -2.75 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 3kjs s MET 398 CO 0.54 0.35 1.66 0.00 -0.01 0.00 0.00 175.02 177.55 3kjs h ALA 399 N 2.24 0.43 -3.10 3.03 0.00 -1.19 -3.44 119.26 117.22 3kjs h ALA 399 Ca -0.47 -0.13 -0.23 0.00 0.00 0.00 0.00 54.91 54.08 3kjs h ALA 399 Cb 1.18 -0.13 -0.21 0.00 0.00 0.00 0.00 17.79 18.63 3kjs h ALA 399 CO 0.69 0.03 -0.72 -0.51 0.00 0.00 0.00 179.25 178.75 3kjs s LEU 400 N -9.79 2.24 0.56 0.00 1.43 -1.26 -5.00 118.68 106.85 3kjs s LEU 400 Ca -0.13 -0.51 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 3kjs s LEU 400 Cb 0.09 -0.04 -0.05 0.00 0.03 0.00 0.00 46.19 46.22 3kjs s LEU 400 CO 0.74 -0.24 1.18 -2.84 0.23 0.00 0.00 176.35 175.42 3kjs s PRO 401 N -1.48 3.21 0.35 1.29 0.02 -1.26 -4.95 135.00 132.18 3kjs s PRO 401 Ca -0.12 1.77 -0.28 0.00 0.02 0.00 0.00 61.00 62.38 3kjs s PRO 401 Cb -0.10 -2.03 -0.11 0.00 0.02 0.00 0.00 34.50 32.28 3kjs s PRO 401 CO -0.00 -1.00 1.41 -1.25 -0.33 0.00 0.00 177.00 175.83 3kjs s PRO 402 N -3.21 4.22 -0.03 5.54 0.04 -1.26 -4.97 135.00 135.34 3kjs s PRO 402 Ca 0.74 2.41 -0.01 0.00 0.04 0.00 0.00 61.00 64.17 3kjs s PRO 402 Cb -0.29 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.23 3kjs s PRO 402 CO 0.32 -0.38 -0.03 0.00 0.04 0.00 0.00 177.00 176.95 3kjs s HIS 404 N -1.22 2.32 -0.06 0.00 0.00 -1.26 -2.36 115.29 112.70 3kjs s HIS 404 Ca -0.02 0.62 0.03 0.00 -3.00 0.00 0.00 55.06 52.69 3kjs s HIS 404 Cb 0.00 -4.32 -0.04 0.00 -4.00 0.00 0.00 32.58 24.23 3kjs s HIS 404 CO 0.03 -2.04 0.09 1.47 -1.00 0.00 0.00 174.74 173.29 3kjs n LEU 405 N 9.21 0.06 -3.78 5.38 -0.00 -0.85 -4.87 117.00 122.16 3kjs n LEU 405 Ca 0.16 -0.23 -0.13 0.00 -0.00 0.00 0.00 56.01 55.81 3kjs n LEU 405 Cb 0.48 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.81 3kjs n LEU 405 CO 0.71 0.01 -0.02 -0.22 -0.00 0.00 0.00 177.39 177.87 3kjs s LEU 406 N -2.71 0.92 -0.09 1.47 2.96 -1.21 -1.07 118.68 118.95 3kjs s LEU 406 Ca -0.00 0.29 -0.07 0.00 -0.22 0.00 0.00 54.13 54.13 3kjs s LEU 406 Cb 0.02 1.11 0.03 0.00 0.50 0.00 0.00 46.19 47.84 3kjs s LEU 406 CO 0.12 -0.29 0.23 0.00 -1.32 0.00 0.00 176.35 175.09 3kjs s ALA 407 N -0.66 -0.55 -0.01 5.97 0.00 -0.52 -0.60 121.76 125.39 3kjs s ALA 407 Ca -0.08 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.68 3kjs s ALA 407 Cb -0.04 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 3kjs s ALA 407 CO 0.02 -0.13 -0.24 -1.14 0.00 0.00 0.00 175.76 174.28 3kjs s GLN 408 N 0.40 1.89 0.20 0.00 0.74 0.08 -1.10 119.66 121.87 3kjs s GLN 408 Ca -0.02 -0.87 0.06 0.00 0.05 0.00 0.00 55.36 54.57 3kjs s GLN 408 Cb -0.04 -1.85 -0.04 0.00 1.10 0.00 0.00 33.01 32.18 3kjs s GLN 408 CO -0.02 0.51 0.14 -0.06 -0.55 0.00 0.00 175.29 175.31 3kjs s PHE 409 N -0.59 3.09 -0.11 1.67 0.08 0.07 -0.22 117.98 121.98 3kjs s PHE 409 Ca 0.09 -0.07 -0.17 0.00 0.12 0.00 0.00 56.93 56.91 3kjs s PHE 409 Cb -0.09 -1.45 0.04 0.00 -0.57 0.00 0.00 43.02 40.95 3kjs s PHE 409 CO -0.01 0.52 0.43 -0.47 -0.10 0.00 0.00 175.22 175.60 3kjs s TYR 410 N -1.92 -0.42 -0.09 0.36 5.04 -0.32 -4.71 117.35 115.30 3kjs s TYR 410 Ca 0.31 0.92 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 3kjs s TYR 410 Cb -0.09 0.17 0.02 0.00 0.35 0.00 0.00 41.96 42.41 3kjs s TYR 410 CO 0.23 -0.32 -0.13 0.08 -1.34 0.00 0.00 175.55 174.08 3kjs s VAL 411 N -0.35 1.28 -0.08 3.14 1.01 -1.26 0.19 120.40 124.34 3kjs s VAL 411 Ca -0.05 -0.52 -0.06 0.00 0.00 0.00 0.00 61.98 61.35 3kjs s VAL 411 Cb -0.03 -1.19 0.03 0.00 0.00 0.00 0.00 36.38 35.18 3kjs s VAL 411 CO 0.03 0.40 0.19 -0.94 0.00 0.00 0.00 175.10 174.77 3kjs s SER 412 N 0.98 -0.20 -1.46 3.32 1.04 -0.83 -4.86 113.70 111.70 3kjs s SER 412 Ca -0.08 0.39 -0.09 0.00 0.48 0.00 0.00 55.95 56.65 3kjs s SER 412 Cb -0.15 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.37 3kjs s SER 412 CO -0.01 -0.09 0.82 0.59 0.98 0.00 0.00 173.24 175.53 3kjs n ASN 413 N 3.33 -5.41 -0.73 7.02 3.02 -1.26 -1.12 115.26 120.11 3kjs n ASN 413 Ca -0.16 -0.49 -0.09 0.00 -0.03 0.00 0.00 54.58 53.80 3kjs n ASN 413 Cb 0.57 -4.34 -0.04 0.00 -0.61 0.00 0.00 39.78 35.36 3kjs n ASN 413 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kjs n GLY 414 N -1.62 1.06 3.43 7.41 0.00 -1.26 -4.99 105.19 109.22 3kjs n GLY 414 Ca -0.03 -0.32 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3kjs n GLY 414 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kjs s GLU 415 N -2.60 2.79 -0.28 1.61 2.02 -0.28 -1.22 118.70 120.73 3kjs s GLU 415 Ca 0.00 -0.71 -0.15 0.00 0.02 0.00 0.00 54.97 54.13 3kjs s GLU 415 Cb 0.00 -2.44 -0.03 0.00 0.10 0.00 0.00 34.13 31.75 3kjs s GLU 415 CO 0.00 0.47 0.37 -1.17 0.02 0.00 0.00 175.26 174.95 3kjs s LEU 416 N -0.34 4.11 0.20 1.80 2.96 0.48 -1.96 118.68 125.93 3kjs s LEU 416 Ca 0.03 0.18 0.06 0.00 -0.22 0.00 0.00 54.13 54.18 3kjs s LEU 416 Cb -0.13 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.12 3kjs s LEU 416 CO 0.02 -0.21 0.15 -0.44 -1.32 0.00 0.00 176.35 174.55 3kjs s SER 417 N 1.67 5.47 -0.01 3.68 0.01 0.13 -0.50 113.70 124.15 3kjs s SER 417 Ca 0.14 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.21 3kjs s SER 417 Cb -0.16 -1.40 0.02 0.00 0.21 0.00 0.00 66.02 64.69 3kjs s SER 417 CO 0.10 0.03 0.01 0.00 0.41 0.00 0.00 173.24 173.79 3kjs s MET 419 N 0.58 3.53 -0.13 0.00 -2.45 0.70 -0.32 119.30 121.20 3kjs s MET 419 Ca -0.05 -0.56 -0.13 0.00 -1.25 0.00 0.00 55.69 53.70 3kjs s MET 419 Cb -0.07 -3.02 -0.05 0.00 1.25 0.00 0.00 34.83 32.94 3kjs s MET 419 CO -0.02 -0.03 0.29 -1.17 1.05 0.00 0.00 175.02 175.15 3kjs s LEU 420 N 1.07 4.30 -0.19 4.11 2.96 0.19 -0.74 118.68 130.38 3kjs s LEU 420 Ca 0.02 0.58 -0.06 0.00 -0.22 0.00 0.00 54.13 54.44 3kjs s LEU 420 Cb -0.14 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 3kjs s LEU 420 CO 0.01 0.17 0.03 -0.47 -1.32 0.00 0.00 176.35 174.77 3kjs s TYR 421 N 0.03 3.13 -0.11 5.38 6.14 0.23 -0.41 117.35 131.74 3kjs s TYR 421 Ca 0.17 -0.18 0.01 0.00 0.64 0.00 0.00 57.07 57.71 3kjs s TYR 421 Cb -0.13 -2.07 0.02 0.00 0.42 0.00 0.00 41.96 40.19 3kjs s TYR 421 CO 0.05 -0.03 -0.11 -1.14 0.64 0.00 0.00 175.55 174.96 3kjs s GLN 422 N 0.66 1.82 0.19 4.97 0.74 -0.21 -2.01 119.66 125.81 3kjs s GLN 422 Ca 0.01 -0.39 -0.00 0.00 0.05 0.00 0.00 55.36 55.03 3kjs s GLN 422 Cb -0.14 -1.69 0.12 0.00 1.10 0.00 0.00 33.01 32.40 3kjs s GLN 422 CO 0.02 -0.16 1.48 0.07 -0.55 0.00 0.00 175.29 176.15 3kjs h ARG 423 N 7.75 0.38 -3.24 1.67 0.11 -1.77 0.24 114.38 119.53 3kjs h ARG 423 Ca -0.32 -0.29 -0.30 0.00 0.10 0.00 0.00 59.98 59.18 3kjs h ARG 423 Cb 1.15 0.05 -0.35 0.00 1.11 0.00 0.00 29.97 31.93 3kjs h ARG 423 CO 0.46 0.91 -0.66 0.45 0.10 0.00 0.00 179.97 181.23 3kjs s SER 424 N -6.94 0.48 -0.23 0.08 0.15 -1.26 -0.39 113.70 105.60 3kjs s SER 424 Ca -0.05 0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.81 3kjs s SER 424 Cb 0.11 0.12 0.07 0.00 -1.71 0.00 0.00 66.02 64.61 3kjs s SER 424 CO 0.83 -0.20 0.04 0.00 1.20 0.00 0.00 173.24 175.11 3kjs s ASP 426 N 1.77 6.77 0.37 0.00 2.15 -1.26 -0.83 116.67 125.63 3kjs s ASP 426 Ca 0.01 0.78 0.09 0.00 0.43 0.00 0.00 52.55 53.86 3kjs s ASP 426 Cb -0.17 -2.55 0.71 0.00 -0.30 0.00 0.00 42.92 40.61 3kjs s ASP 426 CO -0.12 -1.07 1.87 0.24 -0.17 0.00 0.00 175.17 175.91 3kjs h MET 427 N 8.72 0.26 -0.27 4.34 2.86 -1.57 0.29 114.93 129.55 3kjs h MET 427 Ca -0.22 -0.07 -0.19 0.00 -2.06 0.00 0.00 59.70 57.16 3kjs h MET 427 Cb 1.06 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3kjs h MET 427 CO 1.08 0.43 -0.58 0.78 1.06 0.00 0.00 176.91 179.68 3kjs h GLY 428 N 0.84 0.95 0.00 8.32 0.00 -1.92 -3.41 103.07 107.86 3kjs h GLY 428 Ca 0.05 -1.15 0.00 0.00 0.00 0.00 0.00 47.33 46.23 3kjs h GLY 428 CO 0.03 1.03 -0.43 -0.10 0.00 0.00 0.00 176.54 177.07 3kjs n LEU 429 N -4.00 0.20 0.13 3.11 7.94 -1.21 -4.82 117.00 118.35 3kjs n LEU 429 Ca -0.05 0.09 -0.13 0.00 -1.11 0.00 0.00 56.01 54.81 3kjs n LEU 429 Cb 0.65 -0.02 -0.07 0.00 0.53 0.00 0.00 43.42 44.51 3kjs n LEU 429 CO 0.51 -0.37 0.80 1.23 -1.11 0.00 0.00 177.39 178.44 3kjs h GLY 430 N 0.00 -0.27 0.76 -3.96 0.00 -1.74 -3.09 103.07 94.77 3kjs h GLY 430 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.45 3kjs h GLY 430 CO 0.00 -0.11 -0.21 -2.08 0.00 0.00 0.00 176.54 174.14 3kjs h VAL 431 N -0.27 0.55 -0.47 4.60 2.07 -1.18 -0.59 116.25 120.96 3kjs h VAL 431 Ca -0.02 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.48 3kjs h VAL 431 Cb 0.22 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kjs h VAL 431 CO 0.02 0.00 0.21 -0.65 0.02 0.00 0.00 177.57 177.17 3kjs h PRO 432 N -0.44 0.66 -0.39 1.57 0.11 -1.78 -0.22 132.00 131.51 3kjs h PRO 432 Ca -0.00 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3kjs h PRO 432 Cb 0.42 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3kjs h PRO 432 CO -0.05 0.53 0.21 0.35 -0.21 0.00 0.00 178.00 178.83 3kjs h PHE 433 N 0.66 0.54 -0.03 0.65 3.04 -1.40 -2.62 116.94 117.79 3kjs h PHE 433 Ca 0.17 -0.01 -0.19 0.00 3.98 0.00 0.00 57.97 61.91 3kjs h PHE 433 Cb 0.09 -0.17 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 3kjs h PHE 433 CO 0.01 0.42 -0.80 -0.91 -2.02 0.00 0.00 178.31 175.01 3kjs h ASN 434 N 0.50 0.32 -0.55 0.41 2.35 -0.39 -0.75 115.58 117.47 3kjs h ASN 434 Ca 0.14 -0.23 0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3kjs h ASN 434 Cb 0.06 -0.10 -0.05 0.00 0.05 0.00 0.00 38.32 38.29 3kjs h ASN 434 CO -0.02 0.99 0.27 0.40 -1.65 0.00 0.00 177.43 177.42 3kjs h ILE 435 N 0.16 0.93 -0.42 2.81 2.04 -1.07 -1.87 117.51 120.09 3kjs h ILE 435 Ca -0.04 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.60 3kjs h ILE 435 Cb 1.39 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 37.82 3kjs h ILE 435 CO 0.13 0.10 0.08 0.00 0.00 0.00 0.00 178.15 178.45 3kjs h ALA 436 N 1.31 0.55 -0.14 1.87 0.00 -1.14 -1.49 119.26 120.21 3kjs h ALA 436 Ca 0.25 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kjs h ALA 436 Cb 0.17 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 3kjs h ALA 436 CO -0.18 0.26 -0.27 0.77 0.00 0.00 0.00 179.25 179.83 3kjs h SER 437 N 0.54 -0.84 1.18 0.00 0.02 -0.91 -1.64 113.55 111.90 3kjs h SER 437 Ca 0.13 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.11 3kjs h SER 437 Cb 0.36 0.37 -0.01 0.00 0.14 0.00 0.00 62.40 63.25 3kjs h SER 437 CO 0.01 -0.32 -0.45 1.88 -1.14 0.00 0.00 176.83 176.81 3kjs h TYR 438 N -0.33 0.00 0.09 3.45 -1.99 -1.32 -0.32 116.97 116.55 3kjs h TYR 438 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.84 3kjs h TYR 438 Cb 0.49 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 3kjs h TYR 438 CO -0.37 0.45 -0.09 0.00 -0.00 0.00 0.00 178.16 178.15 3kjs h ALA 439 N 1.55 -0.17 -0.17 3.88 0.00 -1.12 -0.55 119.26 122.68 3kjs h ALA 439 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 3kjs h ALA 439 Cb 1.16 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 3kjs h ALA 439 CO 0.06 -0.61 0.01 1.25 0.00 0.00 0.00 179.25 179.96 3kjs h LEU 440 N -0.20 -0.04 -0.26 0.00 5.85 -0.89 -1.42 115.31 118.36 3kjs h LEU 440 Ca 0.01 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.81 3kjs h LEU 440 Cb 0.19 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3kjs h LEU 440 CO -0.03 0.01 -0.07 0.25 -0.34 0.00 0.00 178.44 178.25 3kjs h LEU 441 N 0.07 -0.27 -0.83 2.25 5.85 -0.95 0.36 115.31 121.80 3kjs h LEU 441 Ca 0.08 0.08 0.01 0.00 0.84 0.00 0.00 57.88 58.89 3kjs h LEU 441 Cb 0.09 0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 3kjs h LEU 441 CO -0.13 -0.10 0.55 0.74 -0.34 0.00 0.00 178.44 179.17 3kjs h THR 442 N -0.02 1.22 -0.43 1.05 2.02 -0.95 0.98 112.91 116.78 3kjs h THR 442 Ca 0.13 -0.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 3kjs h THR 442 Cb 0.21 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3kjs h THR 442 CO -0.27 0.21 0.25 0.40 0.37 0.00 0.00 175.52 176.47 3kjs h ILE 443 N 1.13 1.15 -0.39 3.11 2.04 -0.71 0.46 117.51 124.30 3kjs h ILE 443 Ca 0.31 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 3kjs h ILE 443 Cb -0.13 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 3kjs h ILE 443 CO -0.07 0.15 0.04 -0.07 0.00 0.00 0.00 178.15 178.21 3kjs h LEU 444 N 0.56 0.64 -0.74 1.44 3.38 -0.40 -1.59 115.31 118.60 3kjs h LEU 444 Ca 0.15 -0.27 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 3kjs h LEU 444 Cb 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3kjs h LEU 444 CO -0.03 0.75 -0.20 0.40 0.09 0.00 0.00 178.44 179.45 3kjs h ILE 445 N 0.50 1.27 -0.42 1.22 1.08 -0.75 0.08 117.51 120.48 3kjs h ILE 445 Ca 0.12 -1.29 0.05 0.00 -0.39 0.00 0.00 64.86 63.34 3kjs h ILE 445 Cb 0.40 1.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.29 3kjs h ILE 445 CO 0.01 0.43 0.15 0.00 -0.69 0.00 0.00 178.15 178.06 3kjs h ALA 446 N 1.11 0.50 -0.71 1.87 0.00 -0.77 -1.94 119.26 119.33 3kjs h ALA 446 Ca 0.10 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kjs h ALA 446 Cb 0.70 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 3kjs h ALA 446 CO 0.05 -0.24 0.30 0.87 0.00 0.00 0.00 179.25 180.24 3kjs h LYS 447 N 0.32 1.03 0.00 0.00 1.57 -0.75 -0.61 116.57 118.12 3kjs h LYS 447 Ca 0.20 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kjs h LYS 447 Cb 0.18 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3kjs h LYS 447 CO -0.20 0.82 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 3kjs h ALA 448 N 1.32 1.00 -0.02 3.86 0.00 -0.52 -3.26 119.26 121.64 3kjs h ALA 448 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kjs h ALA 448 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3kjs h ALA 448 CO -0.03 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.47 3kjs n THR 449 N -2.86 0.43 -1.91 0.00 -2.24 -0.77 -4.37 114.28 102.55 3kjs n THR 449 Ca 0.01 -0.71 -0.10 0.00 -2.27 0.00 0.00 64.05 60.97 3kjs n THR 449 Cb 0.25 0.80 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 3kjs n THR 449 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kjs n GLY 450 N -0.13 0.32 3.67 3.38 0.00 -0.85 -4.72 105.19 106.86 3kjs n GLY 450 Ca 0.01 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.28 3kjs n GLY 450 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kjs s LEU 451 N -2.59 3.21 0.15 0.99 1.43 -0.30 -4.51 118.68 117.06 3kjs s LEU 451 Ca 0.00 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.28 3kjs s LEU 451 Cb 0.00 -1.70 -0.07 0.00 0.03 0.00 0.00 46.19 44.46 3kjs s LEU 451 CO 0.00 -0.12 0.49 -0.13 0.23 0.00 0.00 176.35 176.82 3kjs s ARG 452 N -3.73 3.82 0.29 1.70 0.52 -0.36 -4.12 118.95 117.07 3kjs s ARG 452 Ca 0.34 0.27 -0.29 0.00 -0.52 0.00 0.00 55.73 55.53 3kjs s ARG 452 Cb -0.05 -2.86 -0.10 0.00 0.52 0.00 0.00 34.95 32.46 3kjs s ARG 452 CO 0.21 0.46 1.35 -1.25 0.02 0.00 0.00 175.30 176.09 3kjs s PRO 453 N -2.26 4.33 0.00 3.54 0.04 -1.26 -0.39 135.00 138.99 3kjs s PRO 453 Ca 0.39 2.23 0.00 0.00 0.04 0.00 0.00 61.00 63.67 3kjs s PRO 453 Cb -0.13 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.31 3kjs s PRO 453 CO 0.20 -0.28 0.00 0.41 0.04 0.00 0.00 177.00 177.37 3kjs n GLY 454 N 1.44 0.87 3.23 0.56 0.00 0.35 -3.80 105.19 107.84 3kjs n GLY 454 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 3kjs n GLY 454 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kjs s GLU 455 N 1.69 1.70 -0.25 1.61 2.12 -1.23 0.36 118.70 124.69 3kjs s GLU 455 Ca 0.00 -0.77 -0.13 0.00 0.36 0.00 0.00 54.97 54.43 3kjs s GLU 455 Cb 0.00 -1.66 -0.04 0.00 0.26 0.00 0.00 34.13 32.69 3kjs s GLU 455 CO 0.00 0.45 0.29 -1.17 -0.54 0.00 0.00 175.26 174.29 3kjs s LEU 456 N -0.54 4.08 -0.16 2.70 2.96 0.89 -0.76 118.68 127.84 3kjs s LEU 456 Ca 0.08 0.23 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3kjs s LEU 456 Cb -0.08 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.28 3kjs s LEU 456 CO -0.01 -0.07 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.25 3kjs s VAL 457 N 1.60 4.10 -0.26 1.68 1.01 0.56 -0.29 120.40 128.79 3kjs s VAL 457 Ca 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 61.98 61.81 3kjs s VAL 457 Cb -0.15 -2.81 0.03 0.00 0.00 0.00 0.00 36.38 33.46 3kjs s VAL 457 CO 0.08 0.49 -0.06 -2.28 0.00 0.00 0.00 175.10 173.33 3kjs s HIS 458 N 0.35 3.12 -0.21 5.22 2.46 0.67 -0.64 115.29 126.26 3kjs s HIS 458 Ca -0.03 -1.70 -0.09 0.00 0.47 0.00 0.00 55.06 53.71 3kjs s HIS 458 Cb -0.14 -2.05 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 3kjs s HIS 458 CO 0.02 -0.76 0.12 0.99 -2.47 0.00 0.00 174.74 172.64 3kjs s THR 459 N 1.29 5.15 -0.09 0.89 2.01 0.45 -0.80 115.64 124.53 3kjs s THR 459 Ca -0.02 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.10 3kjs s THR 459 Cb -0.17 -3.36 -0.02 0.00 0.01 0.00 0.00 72.50 68.95 3kjs s THR 459 CO -0.04 0.41 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.40 3kjs s LEU 460 N 0.69 2.73 0.00 4.42 1.02 -0.31 -1.05 118.68 126.17 3kjs s LEU 460 Ca 0.06 -0.27 0.00 0.00 0.02 0.00 0.00 54.13 53.95 3kjs s LEU 460 Cb -0.13 -1.59 0.00 0.00 0.02 0.00 0.00 46.19 44.50 3kjs s LEU 460 CO 0.01 0.25 0.00 0.61 0.02 0.00 0.00 176.35 177.24 3kjs n GLY 461 N 2.98 1.52 3.55 -3.19 0.00 0.86 -2.07 105.19 108.83 3kjs n GLY 461 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3kjs n GLY 461 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3kjs s ASP 462 N -1.00 6.02 -0.26 1.61 -1.08 0.48 -1.12 116.67 121.31 3kjs s ASP 462 Ca 0.00 -0.33 -0.09 0.00 -0.52 0.00 0.00 52.55 51.62 3kjs s ASP 462 Cb 0.00 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 38.87 3kjs s ASP 462 CO 0.00 -1.93 0.12 0.00 0.52 0.00 0.00 175.17 173.88 3kjs s ALA 463 N 6.28 3.32 0.04 3.66 0.00 -0.36 0.03 121.76 134.73 3kjs s ALA 463 Ca 0.40 -1.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.23 3kjs s ALA 463 Cb -0.09 -2.25 -0.02 0.00 0.00 0.00 0.00 23.12 20.76 3kjs s ALA 463 CO 0.16 -0.50 0.02 -3.38 0.00 0.00 0.00 175.76 172.06 3kjs s HIS 464 N 1.65 0.32 0.00 0.00 -3.43 -0.01 -1.47 115.29 112.35 3kjs s HIS 464 Ca 0.07 -0.69 0.07 0.00 -0.80 0.00 0.00 55.06 53.71 3kjs s HIS 464 Cb -0.15 -0.23 -0.02 0.00 -1.43 0.00 0.00 32.58 30.74 3kjs s HIS 464 CO 0.07 -0.32 -0.23 0.08 -2.00 0.00 0.00 174.74 172.33 3kjs s VAL 465 N -2.73 1.83 0.19 -5.38 1.01 -0.36 -1.26 120.40 113.70 3kjs s VAL 465 Ca -0.04 -1.08 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 3kjs s VAL 465 Cb -0.01 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.75 3kjs s VAL 465 CO -0.05 0.44 1.32 -0.31 0.00 0.00 0.00 175.10 176.49 3kjs s TYR 466 N -0.62 3.25 0.60 5.22 2.02 -1.26 -0.24 117.35 126.32 3kjs s TYR 466 Ca 0.09 1.20 0.38 0.00 -0.37 0.00 0.00 57.07 58.37 3kjs s TYR 466 Cb -0.09 -3.61 2.12 0.00 -0.40 0.00 0.00 41.96 39.98 3kjs s TYR 466 CO 0.00 -1.93 2.30 1.03 -1.57 0.00 0.00 175.55 175.39 3kjs h SER 467 N 5.49 0.00 0.94 2.29 0.87 -1.68 0.98 113.55 122.43 3kjs h SER 467 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3kjs h SER 467 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 3kjs h SER 467 CO 0.78 0.01 -0.40 -0.46 -0.53 0.00 0.00 176.83 176.23 3kjs n ASN 468 N -3.40 0.60 -0.83 6.23 0.23 -1.26 -3.64 115.26 113.19 3kjs n ASN 468 Ca -0.03 0.19 0.11 0.00 -0.53 0.00 0.00 54.58 54.32 3kjs n ASN 468 Cb 0.09 -0.10 0.29 0.00 -2.08 0.00 0.00 39.78 37.99 3kjs n ASN 468 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 3kjs n HIS 469 N -1.95 0.34 0.34 -2.53 8.25 0.33 -4.58 115.22 115.41 3kjs n HIS 469 Ca 0.05 -0.17 -0.18 0.00 -0.26 0.00 0.00 57.72 57.16 3kjs n HIS 469 Cb 0.41 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.43 3kjs n HIS 469 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3kjs h VAL 470 N 3.27 0.19 -0.28 1.59 2.07 -1.60 0.84 116.25 122.33 3kjs h VAL 470 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3kjs h VAL 470 Cb 0.72 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3kjs h VAL 470 CO 0.00 0.00 0.01 -0.08 0.02 0.00 0.00 177.57 177.52 3kjs h GLU 471 N -0.96 0.09 -0.53 1.57 4.81 -1.86 0.47 114.58 118.17 3kjs h GLU 471 Ca -0.07 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3kjs h GLU 471 Cb 0.79 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.10 3kjs h GLU 471 CO 0.05 0.06 0.27 -1.35 -0.73 0.00 0.00 179.01 177.32 3kjs h PRO 472 N 0.10 0.51 -0.78 0.92 0.11 -1.83 -2.29 132.00 128.75 3kjs h PRO 472 Ca 0.13 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.18 3kjs h PRO 472 Cb 0.17 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 31.13 3kjs h PRO 472 CO -0.22 0.34 0.37 0.00 -0.21 0.00 0.00 178.00 178.29 3kjs h ASN 474 N 1.10 0.77 -0.17 0.00 2.35 -0.69 0.89 115.58 119.83 3kjs h ASN 474 Ca 0.27 0.01 -0.13 0.00 -0.55 0.00 0.00 56.30 55.89 3kjs h ASN 474 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3kjs h ASN 474 CO -0.03 0.49 -0.35 -0.08 -1.65 0.00 0.00 177.43 175.80 3kjs h GLU 475 N 0.87 0.68 -0.21 0.81 4.57 -0.97 -3.10 114.58 117.22 3kjs h GLU 475 Ca 0.35 -0.32 -0.12 0.00 -1.18 0.00 0.00 59.36 58.09 3kjs h GLU 475 Cb 0.27 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 3kjs h GLU 475 CO -0.13 0.93 -0.38 0.37 -1.18 0.00 0.00 179.01 178.61 3kjs h GLN 476 N 0.57 0.48 0.00 1.92 4.15 -0.34 -3.09 115.11 118.80 3kjs h GLN 476 Ca 0.06 -0.23 0.00 0.00 0.77 0.00 0.00 58.65 59.25 3kjs h GLN 476 Cb 0.86 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.55 3kjs h GLN 476 CO 0.07 0.79 0.00 -0.07 -1.93 0.00 0.00 178.83 177.69 3kjs h LEU 477 N 0.40 0.00 0.00 -2.39 3.38 -0.80 -2.08 115.31 113.82 3kjs h LEU 477 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3kjs h LEU 477 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3kjs h LEU 477 CO 0.07 0.00 -0.14 0.11 0.09 0.00 0.00 178.44 178.57 3kjs h LYS 478 N 0.00 0.00 -6.66 1.13 1.57 -1.58 -3.46 116.57 107.57 3kjs h LYS 478 Ca 0.00 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.26 3kjs h LYS 478 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 3kjs h LYS 478 CO 0.00 0.00 0.48 1.03 -0.57 0.00 0.00 179.45 180.39 3kjs s ARG 479 N -3.18 4.59 -0.16 3.15 0.52 -0.78 -5.01 118.95 118.08 3kjs s ARG 479 Ca 0.08 1.72 -0.28 0.00 -0.52 0.00 0.00 55.73 56.73 3kjs s ARG 479 Cb 0.09 -3.28 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 3kjs s ARG 479 CO 0.66 0.08 0.95 0.08 0.02 0.00 0.00 175.30 177.08 3kjs s VAL 480 N -0.24 4.80 0.36 3.52 1.01 -1.26 -5.01 120.40 123.58 3kjs s VAL 480 Ca 0.49 1.88 -0.28 0.00 0.00 0.00 0.00 61.98 64.07 3kjs s VAL 480 Cb -0.29 -4.24 -0.11 0.00 0.00 0.00 0.00 36.38 31.73 3kjs s VAL 480 CO 0.35 -0.03 1.48 -2.84 0.00 0.00 0.00 175.10 174.06 3kjs s PRO 481 N 2.34 4.13 0.59 2.72 0.02 -1.26 -4.93 135.00 138.61 3kjs s PRO 481 Ca 0.43 2.54 0.03 0.00 0.02 0.00 0.00 61.00 64.02 3kjs s PRO 481 Cb -0.17 -2.98 0.07 0.00 0.02 0.00 0.00 34.50 31.44 3kjs s PRO 481 CO 0.13 -0.51 0.82 1.03 -0.33 0.00 0.00 177.00 178.14 3kjs s ARG 482 N -1.92 2.28 0.52 5.54 0.52 -1.26 -4.52 118.95 120.11 3kjs s ARG 482 Ca 0.53 -1.08 -0.21 0.00 -0.52 0.00 0.00 55.73 54.46 3kjs s ARG 482 Cb -0.46 -2.50 -0.06 0.00 0.52 0.00 0.00 34.95 32.45 3kjs s ARG 482 CO 0.61 -0.90 1.20 0.00 0.02 0.00 0.00 175.30 176.23 3kjs s ALA 483 N -2.81 2.79 0.40 2.13 0.00 -1.26 -4.78 121.76 118.24 3kjs s ALA 483 Ca 0.60 1.01 -0.25 0.00 0.00 0.00 0.00 51.96 53.33 3kjs s ALA 483 Cb -0.08 -3.43 -0.08 0.00 0.00 0.00 0.00 23.12 19.53 3kjs s ALA 483 CO 0.40 -0.93 1.12 -0.06 0.00 0.00 0.00 175.76 176.29 3kjs s PHE 484 N -1.55 3.13 0.67 0.00 0.08 -1.26 -4.78 117.98 114.27 3kjs s PHE 484 Ca 0.70 1.59 -0.11 0.00 0.12 0.00 0.00 56.93 59.23 3kjs s PHE 484 Cb -0.30 -3.29 0.16 0.00 -0.57 0.00 0.00 43.02 39.02 3kjs s PHE 484 CO 0.35 -1.06 0.70 -0.35 -0.10 0.00 0.00 175.22 174.76 3kjs n PRO 485 N -0.03 -1.66 -4.31 0.24 -0.04 -1.23 -4.82 135.00 123.16 3kjs n PRO 485 Ca 0.05 -1.11 -0.20 0.00 -0.04 0.00 0.00 63.50 62.20 3kjs n PRO 485 Cb 0.48 -0.90 -0.11 0.00 -0.04 0.00 0.00 33.50 32.93 3kjs n PRO 485 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3kjs s TYR 486 N -2.39 1.69 -0.16 0.54 1.51 -1.04 -1.08 117.35 116.42 3kjs s TYR 486 Ca 0.43 -0.50 -0.05 0.00 -1.01 0.00 0.00 57.07 55.94 3kjs s TYR 486 Cb -0.03 -0.85 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 3kjs s TYR 486 CO 0.32 0.28 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.85 3kjs s LEU 487 N -2.66 3.41 -0.06 -1.29 2.96 0.41 -1.19 118.68 120.26 3kjs s LEU 487 Ca 0.14 -0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.03 3kjs s LEU 487 Cb -0.05 -1.83 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 3kjs s LEU 487 CO 0.05 0.18 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.39 3kjs s VAL 488 N 0.33 1.57 -0.25 1.68 1.01 -0.44 -4.79 120.40 119.52 3kjs s VAL 488 Ca -0.02 -0.77 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 3kjs s VAL 488 Cb -0.14 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 3kjs s VAL 488 CO 0.02 0.45 0.51 -0.36 0.00 0.00 0.00 175.10 175.72 3kjs s PHE 489 N 0.19 3.28 -0.13 5.22 0.40 -1.26 -0.37 117.98 125.31 3kjs s PHE 489 Ca -0.09 0.65 0.16 0.00 -0.60 0.00 0.00 56.93 57.05 3kjs s PHE 489 Cb -0.14 -2.71 -0.04 0.00 0.51 0.00 0.00 43.02 40.64 3kjs s PHE 489 CO 0.04 -0.26 1.15 0.00 0.70 0.00 0.00 175.22 176.85 3kjs h ARG 490 N 7.95 0.00 -3.62 0.44 2.47 -0.99 -3.47 114.38 117.16 3kjs h ARG 490 Ca -0.29 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.33 3kjs h ARG 490 Cb 1.14 0.00 -0.15 0.00 -1.65 0.00 0.00 29.97 29.31 3kjs h ARG 490 CO 0.72 0.41 -0.34 -0.98 0.56 0.00 0.00 179.97 180.35 3kjs s ARG 491 N -2.95 0.81 0.41 0.04 1.70 -1.18 -5.08 118.95 112.70 3kjs s ARG 491 Ca 0.01 -0.77 0.08 0.00 -0.47 0.00 0.00 55.73 54.58 3kjs s ARG 491 Cb 0.08 0.34 -0.02 0.00 -0.57 0.00 0.00 34.95 34.78 3kjs s ARG 491 CO 0.78 -0.26 0.39 -1.21 -1.08 0.00 0.00 175.30 173.92 3kjs s GLU 492 N -3.25 2.58 0.15 3.89 0.41 -1.26 -4.86 118.70 116.36 3kjs s GLU 492 Ca 0.00 -1.48 0.07 0.00 -0.41 0.00 0.00 54.97 53.15 3kjs s GLU 492 Cb 0.02 -2.43 -0.04 0.00 -1.78 0.00 0.00 34.13 29.90 3kjs s GLU 492 CO -0.08 -0.18 -0.15 1.03 -0.49 0.00 0.00 175.26 175.40 3kjs s ARG 493 N -4.14 1.15 0.20 1.61 1.81 -1.26 -5.05 118.95 113.27 3kjs s ARG 493 Ca 0.48 -1.38 0.08 0.00 -1.72 0.00 0.00 55.73 53.19 3kjs s ARG 493 Cb -0.04 -1.01 0.08 0.00 -0.45 0.00 0.00 34.95 33.52 3kjs s ARG 493 CO 0.28 0.19 1.45 1.49 -0.68 0.00 0.00 175.30 178.02 3kjs h GLU 494 N 3.16 0.03 -5.66 3.54 4.81 -1.96 -3.43 114.58 115.06 3kjs h GLU 494 Ca -0.40 -0.03 -0.53 0.00 -0.13 0.00 0.00 59.36 58.28 3kjs h GLU 494 Cb 1.20 0.01 -0.28 0.00 0.63 0.00 0.00 28.75 30.31 3kjs h GLU 494 CO 0.55 0.82 -0.83 -0.06 -0.73 0.00 0.00 179.01 178.76 3kjs s PHE 495 N -3.19 1.53 0.29 0.92 0.08 -1.26 -0.67 117.98 115.68 3kjs s PHE 495 Ca -0.01 -0.32 0.03 0.00 0.12 0.00 0.00 56.93 56.76 3kjs s PHE 495 Cb 0.11 -0.96 0.68 0.00 -0.57 0.00 0.00 43.02 42.28 3kjs s PHE 495 CO 0.79 0.01 1.73 1.25 -0.10 0.00 0.00 175.22 178.91 3kjs h LEU 496 N 5.40 0.49 0.00 -0.37 5.85 -1.23 -1.21 115.31 124.23 3kjs h LEU 496 Ca -0.38 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3kjs h LEU 496 Cb 1.16 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.25 3kjs h LEU 496 CO 0.47 0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 178.07 3kjs n GLU 497 N -4.93 0.01 -0.04 1.25 4.71 -1.26 -3.10 120.64 117.27 3kjs n GLU 497 Ca 0.21 0.22 0.12 0.00 -0.01 0.00 0.00 57.16 57.70 3kjs n GLU 497 Cb 0.58 -1.50 0.30 0.00 -1.01 0.00 0.00 31.44 29.81 3kjs n GLU 497 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3kjs n ASP 498 N -1.49 2.37 -4.76 1.62 8.00 -0.46 -4.91 116.55 116.93 3kjs n ASP 498 Ca 0.04 -1.79 -0.41 0.00 0.71 0.00 0.00 54.79 53.34 3kjs n ASP 498 Cb 0.19 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.21 3kjs n ASP 498 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3kjs s TYR 499 N -1.90 3.12 0.16 1.24 2.02 -1.18 -4.98 117.35 115.83 3kjs s TYR 499 Ca 0.34 1.34 0.11 0.00 -0.37 0.00 0.00 57.07 58.49 3kjs s TYR 499 Cb 0.20 -3.66 -0.04 0.00 -0.40 0.00 0.00 41.96 38.06 3kjs s TYR 499 CO 0.31 -1.89 -0.25 -1.21 -1.57 0.00 0.00 175.55 170.93 3kjs s GLU 500 N -1.26 1.44 0.31 -0.62 2.02 -1.26 -5.00 118.70 114.33 3kjs s GLU 500 Ca 0.52 -1.42 0.08 0.00 0.02 0.00 0.00 54.97 54.16 3kjs s GLU 500 Cb -0.39 -1.85 0.81 0.00 0.10 0.00 0.00 34.13 32.80 3kjs s GLU 500 CO 0.48 0.42 1.75 1.49 0.02 0.00 0.00 175.26 179.42 3kjs h GLU 501 N 3.57 0.64 0.00 1.61 4.22 -1.94 0.11 114.58 122.79 3kjs h GLU 501 Ca -0.49 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 3kjs h GLU 501 Cb 1.19 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.29 3kjs h GLU 501 CO 0.43 0.42 0.00 0.41 -2.18 0.00 0.00 179.01 178.10 3kjs n GLY 502 N -1.32 -1.05 0.22 1.92 0.00 -1.26 -2.54 105.19 101.17 3kjs n GLY 502 Ca 0.25 0.15 0.15 0.00 0.00 0.00 0.00 46.02 46.57 3kjs n GLY 502 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3kjs h ASP 503 N 0.00 0.00 -3.51 1.61 3.32 -1.13 -3.46 116.42 113.25 3kjs h ASP 503 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 3kjs h ASP 503 Cb 0.16 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 39.54 3kjs h ASP 503 CO 0.00 0.00 -0.76 0.00 -1.72 0.00 0.00 179.24 176.76 3kjs s MET 504 N -3.43 1.26 -0.03 3.56 0.23 -1.05 -0.29 119.30 119.54 3kjs s MET 504 Ca 0.04 -1.44 -0.00 0.00 -1.03 0.00 0.00 55.69 53.26 3kjs s MET 504 Cb 0.08 -1.21 0.03 0.00 -1.53 0.00 0.00 34.83 32.20 3kjs s MET 504 CO 0.57 0.23 0.01 -2.00 -2.03 0.00 0.00 175.02 171.80 3kjs s GLU 505 N -3.03 0.23 -0.28 3.16 2.12 0.50 -4.92 118.70 116.48 3kjs s GLU 505 Ca 0.17 0.15 -0.24 0.00 0.36 0.00 0.00 54.97 55.40 3kjs s GLU 505 Cb -0.04 -0.52 -0.00 0.00 0.26 0.00 0.00 34.13 33.83 3kjs s GLU 505 CO 0.06 -0.19 0.83 0.08 -0.54 0.00 0.00 175.26 175.50 3kjs s VAL 506 N 1.34 4.78 -0.11 3.70 1.01 -1.26 -1.32 120.40 128.54 3kjs s VAL 506 Ca -0.05 1.40 -0.04 0.00 0.00 0.00 0.00 61.98 63.29 3kjs s VAL 506 Cb -0.13 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 3kjs s VAL 506 CO -0.03 -0.20 0.05 0.27 0.00 0.00 0.00 175.10 175.20 3kjs s ILE 507 N 2.98 4.76 -1.36 2.22 -4.36 -0.33 -4.61 121.20 120.50 3kjs s ILE 507 Ca 0.35 -0.07 -0.09 0.00 -0.26 0.00 0.00 60.65 60.58 3kjs s ILE 507 Cb -0.14 -3.04 0.01 0.00 1.25 0.00 0.00 42.46 40.53 3kjs s ILE 507 CO 0.11 0.59 1.17 0.47 0.24 0.00 0.00 174.94 177.52 3kjs n ASP 508 N 2.24 -6.37 -4.59 4.36 8.00 -1.26 -2.49 116.55 116.44 3kjs n ASP 508 Ca -0.19 -0.53 -0.43 0.00 0.71 0.00 0.00 54.79 54.36 3kjs n ASP 508 Cb 0.54 -5.01 -0.04 0.00 -0.02 0.00 0.00 41.12 36.59 3kjs n ASP 508 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3kjs s TYR 509 N -3.31 3.02 -0.59 1.24 5.04 -1.26 -4.41 117.35 117.08 3kjs s TYR 509 Ca 0.58 0.63 0.06 0.00 -2.44 0.00 0.00 57.07 55.90 3kjs s TYR 509 Cb -0.25 -3.75 0.28 0.00 0.35 0.00 0.00 41.96 38.58 3kjs s TYR 509 CO 0.72 -0.92 0.78 0.00 -1.34 0.00 0.00 175.55 174.79 3kjs n ALA 510 N 6.90 3.98 -1.73 3.97 0.00 -1.26 -5.08 120.51 127.29 3kjs n ALA 510 Ca 0.07 -4.56 -0.31 0.00 0.00 0.00 0.00 53.44 48.64 3kjs n ALA 510 Cb 0.48 -0.85 0.03 0.00 0.00 0.00 0.00 19.45 19.12 3kjs n ALA 510 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kjs s PRO 511 N -2.63 3.24 0.71 0.00 0.04 -1.26 -4.94 135.00 130.17 3kjs s PRO 511 Ca 0.42 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.14 3kjs s PRO 511 Cb 0.20 -2.03 0.03 0.00 0.04 0.00 0.00 34.50 32.73 3kjs s PRO 511 CO -0.06 -0.85 1.23 0.71 0.04 0.00 0.00 177.00 178.07 3kjs s TYR 512 N -3.12 2.05 1.09 0.56 1.51 0.33 -4.94 117.35 114.84 3kjs s TYR 512 Ca 0.57 1.58 -0.14 0.00 -1.01 0.00 0.00 57.07 58.07 3kjs s TYR 512 Cb -0.12 -3.53 0.24 0.00 -0.11 0.00 0.00 41.96 38.44 3kjs s TYR 512 CO 0.54 -2.69 1.07 -1.25 -1.11 0.00 0.00 175.55 172.12 3kjs s PRO 513 N -3.78 -0.32 0.60 -1.71 0.04 -1.26 -4.25 135.00 124.32 3kjs s PRO 513 Ca 0.76 0.49 -0.18 0.00 0.04 0.00 0.00 61.00 62.11 3kjs s PRO 513 Cb -0.31 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3kjs s PRO 513 CO 0.44 -3.23 0.90 -2.30 0.04 0.00 0.00 177.00 172.84 3kjs n PRO 514 N -4.52 0.83 0.00 0.56 -0.02 -1.26 -4.91 135.00 125.67 3kjs n PRO 514 Ca 0.05 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 3kjs n PRO 514 Cb 0.57 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3kjs n PRO 514 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59