#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kee s LYS 3 N 0.00 3.20 0.89 9.51 1.02 -1.26 -4.99 119.74 128.10 1kee s LYS 3 Ca 0.00 -1.67 -0.11 0.00 0.02 0.00 0.00 55.97 54.20 1kee s LYS 3 Cb 0.00 -4.37 0.13 0.00 -0.52 0.00 0.00 37.83 33.06 1kee s LYS 3 CO 0.00 -1.47 1.09 -1.12 -0.92 0.00 0.00 175.35 172.93 1kee s SER 4 N 3.34 3.52 -0.01 2.83 0.01 -1.22 -0.82 113.70 121.34 1kee s SER 4 Ca 0.13 1.51 -0.29 0.00 1.31 0.00 0.00 55.95 58.60 1kee s SER 4 Cb -0.21 -2.19 0.08 0.00 0.21 0.00 0.00 66.02 63.91 1kee s SER 4 CO 0.01 -2.61 0.70 0.00 0.41 0.00 0.00 173.24 171.75 1kee s ALA 5 N -2.93 -1.75 -0.18 1.44 0.00 -0.77 -2.34 121.76 115.23 1kee s ALA 5 Ca 0.63 1.16 -0.17 0.00 0.00 0.00 0.00 51.96 53.58 1kee s ALA 5 Cb -0.18 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1kee s ALA 5 CO 0.57 -0.46 0.49 -1.17 0.00 0.00 0.00 175.76 175.19 1kee s LEU 6 N -1.56 0.13 -0.21 0.00 2.96 -0.39 -1.36 118.68 118.25 1kee s LEU 6 Ca -0.07 0.96 0.01 0.00 -0.22 0.00 0.00 54.13 54.81 1kee s LEU 6 Cb -0.00 1.69 0.03 0.00 0.50 0.00 0.00 46.19 48.41 1kee s LEU 6 CO 0.04 -0.19 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.51 1kee s LEU 7 N 0.19 2.64 -0.00 -0.68 2.96 0.15 0.24 118.68 124.18 1kee s LEU 7 Ca -0.01 -0.88 0.07 0.00 -0.22 0.00 0.00 54.13 53.09 1kee s LEU 7 Cb -0.03 -1.53 -0.03 0.00 0.50 0.00 0.00 46.19 45.10 1kee s LEU 7 CO 0.01 -0.07 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.07 1kee s VAL 8 N 1.25 2.53 0.35 1.68 1.01 0.82 -0.51 120.40 127.53 1kee s VAL 8 Ca 0.01 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 60.98 1kee s VAL 8 Cb -0.15 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1kee s VAL 8 CO -0.10 0.48 0.48 -0.76 0.00 0.00 0.00 175.10 175.21 1kee s LEU 9 N -0.97 3.91 0.14 3.92 1.43 0.24 -0.71 118.68 126.64 1kee s LEU 9 Ca 0.12 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.69 1kee s LEU 9 Cb -0.10 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1kee s LEU 9 CO 0.02 -0.48 1.57 -0.33 0.23 0.00 0.00 176.35 177.35 1kee h GLU 10 N 0.86 -0.40 0.00 1.70 5.08 -1.64 0.21 114.58 120.39 1kee h GLU 10 Ca -0.45 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1kee h GLU 10 Cb 1.26 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1kee h GLU 10 CO 0.52 -0.27 0.13 -0.40 -1.00 0.00 0.00 179.01 177.99 1kee n ASP 11 N -5.42 0.00 0.00 1.42 3.85 -1.26 -4.74 116.55 110.40 1kee n ASP 11 Ca -0.03 0.33 0.00 0.00 -0.71 0.00 0.00 54.79 54.38 1kee n ASP 11 Cb 0.36 -0.33 0.00 0.00 -1.35 0.00 0.00 41.12 39.80 1kee n ASP 11 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kee n GLY 12 N -1.32 0.73 3.72 6.12 0.00 0.72 -5.04 105.19 110.13 1kee n GLY 12 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1kee n GLY 12 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1kee s THR 13 N -2.68 3.12 0.10 2.61 2.01 -1.25 -4.71 115.64 114.83 1kee s THR 13 Ca 0.00 0.83 0.05 0.00 0.31 0.00 0.00 61.69 62.88 1kee s THR 13 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1kee s THR 13 CO 0.00 0.08 0.01 -1.10 -0.69 0.00 0.00 174.62 172.92 1kee s GLN 14 N 0.79 2.57 -0.18 4.92 -0.21 -1.26 -0.59 119.66 125.69 1kee s GLN 14 Ca 0.64 -0.85 -0.04 0.00 0.02 0.00 0.00 55.36 55.13 1kee s GLN 14 Cb -0.38 -2.54 0.06 0.00 1.00 0.00 0.00 33.01 31.14 1kee s GLN 14 CO 0.33 0.54 0.07 -0.06 -2.12 0.00 0.00 175.29 174.04 1kee s PHE 15 N -1.35 0.49 -0.13 0.91 0.08 0.33 -4.98 117.98 113.33 1kee s PHE 15 Ca 0.26 -0.52 -0.19 0.00 0.12 0.00 0.00 56.93 56.60 1kee s PHE 15 Cb -0.12 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.48 1kee s PHE 15 CO 0.19 -0.55 0.51 -1.01 -0.10 0.00 0.00 175.22 174.25 1kee s HIS 16 N 2.04 3.49 0.00 0.36 3.76 -1.26 -0.67 115.29 123.00 1kee s HIS 16 Ca 0.01 0.89 0.00 0.00 -0.15 0.00 0.00 55.06 55.82 1kee s HIS 16 Cb -0.16 -2.60 0.00 0.00 1.11 0.00 0.00 32.58 30.93 1kee s HIS 16 CO -0.09 0.10 0.00 0.41 -0.85 0.00 0.00 174.74 174.31 1kee n GLY 17 N 3.39 3.97 3.37 -2.22 0.00 -0.47 -4.61 105.19 108.62 1kee n GLY 17 Ca -0.06 -0.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 1kee n GLY 17 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1kee s ARG 18 N 1.39 1.88 -0.07 1.61 3.52 -0.52 -1.85 118.95 124.91 1kee s ARG 18 Ca 0.00 -1.07 -0.28 0.00 -0.13 0.00 0.00 55.73 54.25 1kee s ARG 18 Cb 0.00 -2.03 -0.02 0.00 -1.56 0.00 0.00 34.95 31.34 1kee s ARG 18 CO 0.00 0.52 0.90 0.00 -0.81 0.00 0.00 175.30 175.91 1kee s ALA 19 N -0.82 3.33 -0.06 6.12 0.00 -0.00 -0.72 121.76 129.61 1kee s ALA 19 Ca 0.12 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.41 1kee s ALA 19 Cb -0.10 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.75 1kee s ALA 19 CO 0.02 -0.38 0.11 0.44 0.00 0.00 0.00 175.76 175.95 1kee n ILE 20 N 4.20 0.00 -0.17 0.00 -5.35 -0.35 -4.92 119.36 112.77 1kee n ILE 20 Ca 0.05 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.05 1kee n ILE 20 Cb 0.50 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.40 1kee n ILE 20 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kee n GLY 21 N 0.90 3.69 3.85 3.28 0.00 -1.18 -4.59 105.19 111.15 1kee n GLY 21 Ca 0.00 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 44.03 1kee n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 22 N -2.46 2.88 0.21 4.61 0.00 0.33 -4.70 121.76 122.63 1kee s ALA 22 Ca 0.00 -0.09 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 1kee s ALA 22 Cb 0.00 -3.10 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 1kee s ALA 22 CO 0.00 -1.00 0.77 0.99 0.00 0.00 0.00 175.76 176.52 1kee s THR 23 N -3.17 4.45 -3.87 0.00 2.01 -1.26 -4.45 115.64 109.35 1kee s THR 23 Ca 0.57 1.52 0.00 0.00 0.31 0.00 0.00 61.69 64.08 1kee s THR 23 Cb -0.12 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.40 1kee s THR 23 CO 0.54 0.32 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1kee n GLY 24 N 1.05 0.86 3.31 4.40 0.00 0.52 -4.96 105.19 110.36 1kee n GLY 24 Ca -0.03 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.75 1kee n GLY 24 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1kee s SER 25 N -4.00 2.71 0.01 1.61 1.04 -1.26 0.13 113.70 113.95 1kee s SER 25 Ca 0.00 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.77 1kee s SER 25 Cb 0.00 -0.17 -0.01 0.00 0.10 0.00 0.00 66.02 65.94 1kee s SER 25 CO 0.00 0.10 -0.07 0.00 0.98 0.00 0.00 173.24 174.25 1kee s ALA 26 N -1.10 0.57 -0.04 5.32 0.00 -0.08 -4.95 121.76 121.47 1kee s ALA 26 Ca 0.08 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.54 1kee s ALA 26 Cb -0.10 -0.07 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1kee s ALA 26 CO 0.04 0.08 0.12 0.08 0.00 0.00 0.00 175.76 176.08 1kee s VAL 27 N -0.60 -0.01 -2.22 0.00 1.01 -1.26 -0.69 120.40 116.63 1kee s VAL 27 Ca -0.02 0.02 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1kee s VAL 27 Cb -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 36.38 36.16 1kee s VAL 27 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1kee n GLY 28 N 3.17 -1.15 3.74 4.51 0.00 -0.27 -4.81 105.19 110.36 1kee n GLY 28 Ca -0.14 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.51 1kee n GLY 28 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kee s GLU 29 N -0.89 4.62 -0.09 1.61 2.12 -0.92 0.99 118.70 126.14 1kee s GLU 29 Ca 0.00 1.65 -0.16 0.00 0.36 0.00 0.00 54.97 56.82 1kee s GLU 29 Cb 0.00 -3.30 -0.05 0.00 0.26 0.00 0.00 34.13 31.04 1kee s GLU 29 CO 0.00 0.11 0.41 0.08 -0.54 0.00 0.00 175.26 175.32 1kee s VAL 30 N -0.17 5.17 0.09 3.70 1.01 0.81 0.19 120.40 131.19 1kee s VAL 30 Ca 0.49 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.29 1kee s VAL 30 Cb -0.28 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1kee s VAL 30 CO 0.33 0.42 -0.03 0.68 0.00 0.00 0.00 175.10 176.50 1kee s VAL 31 N 0.05 0.42 -0.05 2.92 -7.23 -0.18 -4.20 120.40 112.12 1kee s VAL 31 Ca 0.23 -1.88 0.06 0.00 -1.81 0.00 0.00 61.98 58.58 1kee s VAL 31 Cb -0.15 -1.68 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1kee s VAL 31 CO 0.10 -0.85 -0.25 0.72 -0.31 0.00 0.00 175.10 174.50 1kee s PHE 32 N -3.80 2.42 -0.11 2.82 -0.12 -1.26 -0.37 117.98 117.56 1kee s PHE 32 Ca 0.12 -0.63 0.02 0.00 -0.05 0.00 0.00 56.93 56.39 1kee s PHE 32 Cb 0.07 -1.58 0.01 0.00 -0.63 0.00 0.00 43.02 40.90 1kee s PHE 32 CO -0.06 -0.16 -0.15 1.21 -0.05 0.00 0.00 175.22 176.01 1kee s ASN 33 N -0.30 2.42 0.00 1.98 3.84 -0.13 -4.36 114.94 118.40 1kee s ASN 33 Ca 0.00 -0.43 0.12 0.00 0.21 0.00 0.00 52.86 52.77 1kee s ASN 33 Cb -0.13 -1.09 0.41 0.00 -0.55 0.00 0.00 41.25 39.89 1kee s ASN 33 CO 0.02 0.02 1.31 0.35 -2.79 0.00 0.00 177.10 176.01 1kee n THR 34 N 4.15 0.31 -2.06 -5.21 -2.24 -0.84 -1.87 114.28 106.52 1kee n THR 34 Ca -0.19 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 60.82 1kee n THR 34 Cb 0.51 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 1kee n THR 34 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1kee s SER 35 N -1.16 6.31 0.00 3.42 0.01 -1.26 -4.73 113.70 116.29 1kee s SER 35 Ca 0.22 1.68 0.24 0.00 1.31 0.00 0.00 55.95 59.39 1kee s SER 35 Cb 0.11 -2.53 1.07 0.00 0.21 0.00 0.00 66.02 64.89 1kee s SER 35 CO 0.16 -1.30 1.77 0.23 0.41 0.00 0.00 173.24 174.51 1kee n MET 36 N 7.74 0.11 -4.13 12.44 2.81 -1.26 -4.64 117.12 130.19 1kee n MET 36 Ca 0.20 0.08 -0.09 0.00 -1.81 0.00 0.00 57.70 56.08 1kee n MET 36 Cb 0.45 -1.50 -0.10 0.00 -0.71 0.00 0.00 33.22 31.36 1kee n MET 36 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 1kee s THR 37 N -2.87 0.11 0.00 2.03 -4.23 -1.26 -4.96 115.64 104.47 1kee s THR 37 Ca 0.15 -1.88 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1kee s THR 37 Cb 0.16 -1.98 0.00 0.00 1.34 0.00 0.00 72.50 72.02 1kee s THR 37 CO 0.41 -0.52 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1kee n GLY 38 N -0.08 0.66 0.20 3.99 0.00 -1.26 -4.86 105.19 103.84 1kee n GLY 38 Ca -0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 46.02 45.17 1kee n GLY 38 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1kee h TYR 39 N 0.00 0.36 -0.38 1.61 -0.00 -1.93 -1.80 116.97 114.83 1kee h TYR 39 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 58.73 58.74 1kee h TYR 39 Cb 0.32 -0.09 -0.02 0.00 0.00 0.00 0.00 36.73 36.95 1kee h TYR 39 CO 0.00 0.15 0.21 0.37 -0.00 0.00 0.00 178.16 178.89 1kee h GLN 40 N 0.40 0.54 -0.21 0.10 4.15 -1.91 -0.15 115.11 118.02 1kee h GLN 40 Ca 0.22 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.60 1kee h GLN 40 Cb 0.19 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 1kee h GLN 40 CO -0.20 0.44 0.14 0.93 -1.93 0.00 0.00 178.83 178.21 1kee h GLU 41 N 0.49 0.17 -0.01 1.69 3.07 -1.40 -1.85 114.58 116.74 1kee h GLU 41 Ca 0.13 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1kee h GLU 41 Cb 0.06 -0.04 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1kee h GLU 41 CO -0.02 0.11 -0.05 0.82 -1.40 0.00 0.00 179.01 178.47 1kee h ILE 42 N 0.17 1.51 -0.96 3.13 2.04 -0.46 -3.07 117.51 119.86 1kee h ILE 42 Ca 0.09 -1.56 0.09 0.00 1.00 0.00 0.00 64.86 64.47 1kee h ILE 42 Cb 0.14 2.53 -0.07 0.00 -0.74 0.00 0.00 36.82 38.67 1kee h ILE 42 CO -0.01 0.41 0.61 -0.07 0.00 0.00 0.00 178.15 179.09 1kee h LEU 43 N -0.57 0.93 -1.38 1.44 3.38 -0.69 -1.26 115.31 117.15 1kee h LEU 43 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1kee h LEU 43 Cb 0.70 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1kee h LEU 43 CO 0.01 0.56 0.00 0.35 0.09 0.00 0.00 178.44 179.45 1kee n THR 44 N -4.59 0.63 -3.02 0.22 -2.24 -0.73 -1.78 114.28 102.77 1kee n THR 44 Ca 0.16 -0.39 -0.41 0.00 -2.27 0.00 0.00 64.05 61.13 1kee n THR 44 Cb 0.25 -0.14 -0.06 0.00 -2.10 0.00 0.00 70.33 68.28 1kee n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1kee s ASP 45 N -0.61 6.64 0.41 3.42 3.68 -0.48 -3.28 116.67 126.45 1kee s ASP 45 Ca 0.17 0.71 0.17 0.00 2.13 0.00 0.00 52.55 55.72 1kee s ASP 45 Cb 0.11 -2.37 1.06 0.00 -1.45 0.00 0.00 42.92 40.26 1kee s ASP 45 CO 0.08 -0.49 1.85 -0.65 0.13 0.00 0.00 175.17 176.09 1kee h PRO 46 N 7.97 0.42 -0.66 4.34 0.11 -1.88 -0.94 132.00 141.37 1kee h PRO 46 Ca -0.25 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.02 1kee h PRO 46 Cb 1.11 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.10 1kee h PRO 46 CO 0.83 0.28 0.71 0.77 -0.21 0.00 0.00 178.00 180.38 1kee h SER 47 N 0.43 0.00 -0.14 -2.05 0.02 -1.86 0.11 113.55 110.06 1kee h SER 47 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1kee h SER 47 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1kee h SER 47 CO -0.19 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.28 1kee n TYR 48 N -3.60 0.19 -1.68 3.45 4.01 -0.36 -4.25 117.16 114.92 1kee n TYR 48 Ca 0.14 -0.09 -0.44 0.00 -0.16 0.00 0.00 57.90 57.34 1kee n TYR 48 Cb 0.94 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.95 1kee n TYR 48 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1kee n SER 49 N 0.00 2.79 -1.15 7.72 2.88 0.39 -0.83 113.62 125.42 1kee n SER 49 Ca 0.13 1.15 -0.15 0.00 -1.33 0.00 0.00 58.87 58.67 1kee n SER 49 Cb 0.22 -1.44 -0.06 0.00 -0.75 0.00 0.00 64.21 62.18 1kee n SER 49 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1kee n ARG 50 N 1.84 -1.05 -5.23 -1.46 5.12 -1.25 -4.74 116.66 109.89 1kee n ARG 50 Ca 0.11 1.03 -0.30 0.00 -1.93 0.00 0.00 57.85 56.75 1kee n ARG 50 Cb 0.32 -5.17 -0.16 0.00 -1.16 0.00 0.00 32.46 26.30 1kee n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 1kee s GLN 51 N -3.27 2.00 -0.24 5.56 -0.21 -0.01 -2.16 119.66 121.33 1kee s GLN 51 Ca 0.00 -0.89 -0.14 0.00 0.02 0.00 0.00 55.36 54.35 1kee s GLN 51 Cb 0.00 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.03 1kee s GLN 51 CO 0.00 0.53 0.33 0.42 -2.12 0.00 0.00 175.29 174.46 1kee s ILE 52 N -0.59 5.22 -0.23 1.08 1.01 0.50 0.41 121.20 128.61 1kee s ILE 52 Ca 0.10 0.53 -0.12 0.00 0.00 0.00 0.00 60.65 61.15 1kee s ILE 52 Cb -0.10 -3.66 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1kee s ILE 52 CO -0.01 0.23 0.24 -0.69 0.00 0.00 0.00 174.94 174.71 1kee s VAL 53 N 1.59 5.30 -0.18 2.92 1.01 0.92 -1.01 120.40 130.95 1kee s VAL 53 Ca 0.15 0.36 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 1kee s VAL 53 Cb -0.15 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.62 1kee s VAL 53 CO 0.08 0.31 -0.01 -0.89 0.00 0.00 0.00 175.10 174.59 1kee s THR 54 N 1.17 4.04 -0.19 3.92 2.01 0.50 0.66 115.64 127.75 1kee s THR 54 Ca 0.11 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.76 1kee s THR 54 Cb -0.14 -2.80 -0.03 0.00 0.01 0.00 0.00 72.50 69.54 1kee s THR 54 CO 0.06 0.46 0.02 -0.76 -0.69 0.00 0.00 174.62 173.71 1kee s LEU 55 N 0.64 3.42 0.27 4.42 1.43 -0.71 -0.95 118.68 127.19 1kee s LEU 55 Ca -0.01 -0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 1kee s LEU 55 Cb -0.14 -1.86 0.38 0.00 0.03 0.00 0.00 46.19 44.60 1kee s LEU 55 CO 0.02 0.10 1.77 0.71 0.23 0.00 0.00 176.35 179.18 1kee h THR 56 N 5.24 1.24 -2.80 5.49 1.35 -1.70 -3.42 112.91 118.31 1kee h THR 56 Ca -0.35 -1.01 -0.56 0.00 -0.55 0.00 0.00 66.41 63.93 1kee h THR 56 Cb 1.18 0.96 -0.03 0.00 -1.73 0.00 0.00 68.15 68.53 1kee h THR 56 CO 0.63 0.35 1.06 -0.47 -0.25 0.00 0.00 175.52 176.84 1kee s TYR 57 N -4.90 2.28 0.22 4.73 5.04 -1.26 -4.92 117.35 118.54 1kee s TYR 57 Ca -0.09 0.59 -0.09 0.00 -2.44 0.00 0.00 57.07 55.04 1kee s TYR 57 Cb 0.15 -3.87 0.35 0.00 0.35 0.00 0.00 41.96 38.93 1kee s TYR 57 CO 0.80 -2.77 1.66 -1.00 -1.34 0.00 0.00 175.55 172.90 1kee h PRO 58 N 9.85 0.13 -5.36 4.97 0.13 -1.94 -3.39 132.00 136.39 1kee h PRO 58 Ca -0.33 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.15 1kee h PRO 58 Cb 1.14 -0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.09 1kee h PRO 58 CO 0.99 0.08 0.35 -1.01 -0.23 0.00 0.00 178.00 178.18 1kee s HIS 59 N -6.13 2.87 -0.22 1.56 3.76 -1.26 0.24 115.29 116.11 1kee s HIS 59 Ca -0.13 -0.40 -0.02 0.00 -0.15 0.00 0.00 55.06 54.36 1kee s HIS 59 Cb 0.20 -3.94 0.01 0.00 1.11 0.00 0.00 32.58 29.96 1kee s HIS 59 CO 0.74 -1.31 -0.09 0.42 -0.85 0.00 0.00 174.74 173.66 1kee s ILE 60 N 3.42 2.91 0.00 0.60 -1.09 -0.61 -4.52 121.20 121.91 1kee s ILE 60 Ca 0.22 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1kee s ILE 60 Cb -0.17 -2.35 0.00 0.00 -1.58 0.00 0.00 42.46 38.36 1kee s ILE 60 CO 0.14 0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1kee n GLY 61 N 4.72 1.43 0.39 6.18 0.00 -1.26 -4.11 105.19 112.53 1kee n GLY 61 Ca -0.18 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.01 1kee n GLY 61 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kee h ASN 62 N 0.00 0.41 -0.42 1.61 2.35 -1.84 -2.40 115.58 115.29 1kee h ASN 62 Ca 0.00 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1kee h ASN 62 Cb 0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 1kee h ASN 62 CO 0.00 0.19 0.00 1.33 -1.65 0.00 0.00 177.43 177.30 1kee n VAL 63 N -4.50 1.70 -4.81 2.81 0.24 -1.26 0.02 118.33 112.53 1kee n VAL 63 Ca 0.17 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.12 1kee n VAL 63 Cb 0.62 0.13 0.00 0.00 -1.47 0.00 0.00 33.84 33.12 1kee n VAL 63 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1kee n GLY 64 N 0.38 2.22 3.36 7.63 0.00 -0.90 -4.13 105.19 113.75 1kee n GLY 64 Ca 0.19 -0.51 -0.10 0.00 0.00 0.00 0.00 46.02 45.61 1kee n GLY 64 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kee s THR 65 N 0.00 0.07 -0.06 2.61 -4.23 -0.74 -4.71 115.64 108.58 1kee s THR 65 Ca 0.00 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.21 1kee s THR 65 Cb 0.00 -1.52 0.08 0.00 1.34 0.00 0.00 72.50 72.40 1kee s THR 65 CO 0.00 -0.32 0.75 0.54 -0.54 0.00 0.00 174.62 175.06 1kee s ASN 66 N -2.89 -0.58 0.54 3.99 2.20 -1.26 0.22 114.94 117.17 1kee s ASN 66 Ca 0.10 0.57 0.24 0.00 -0.94 0.00 0.00 52.86 52.83 1kee s ASN 66 Cb 0.02 0.48 1.50 0.00 -2.00 0.00 0.00 41.25 41.26 1kee s ASN 66 CO -0.06 -0.57 2.15 0.44 -2.94 0.00 0.00 177.10 176.12 1kee h ASP 67 N 2.79 0.00 1.16 3.54 3.45 -1.99 -1.85 116.42 123.53 1kee h ASP 67 Ca -0.25 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.21 1kee h ASP 67 Cb 1.16 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1kee h ASP 67 CO 0.37 0.06 0.00 0.00 -1.57 0.00 0.00 179.24 178.10 1kee h ALA 68 N 1.94 1.00 -0.47 3.45 0.00 -1.96 -2.87 119.26 120.35 1kee h ALA 68 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kee h ALA 68 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1kee h ALA 68 CO 0.01 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.01 1kee n ASP 69 N -2.35 4.18 -4.61 0.00 10.43 -0.69 -4.87 116.55 118.65 1kee n ASP 69 Ca 0.04 -2.52 -0.38 0.00 2.57 0.00 0.00 54.79 54.49 1kee n ASP 69 Cb 0.34 -0.57 -0.10 0.00 1.84 0.00 0.00 41.12 42.63 1kee n ASP 69 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 1kee s GLU 70 N -2.06 3.99 0.00 -1.24 2.02 -1.08 -2.99 118.70 117.34 1kee s GLU 70 Ca 0.40 -0.20 0.29 0.00 0.02 0.00 0.00 54.97 55.48 1kee s GLU 70 Cb 0.28 -3.64 1.18 0.00 0.10 0.00 0.00 34.13 32.06 1kee s GLU 70 CO 0.15 -0.17 1.83 0.39 0.02 0.00 0.00 175.26 177.48 1kee n GLU 71 N 5.01 0.82 -3.83 1.61 -0.58 -1.26 -4.86 120.64 117.55 1kee n GLU 71 Ca -0.12 -0.32 -0.06 0.00 -0.42 0.00 0.00 57.16 56.23 1kee n GLU 71 Cb 0.52 -1.49 -0.01 0.00 -0.57 0.00 0.00 31.44 29.88 1kee n GLU 71 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1kee s SER 72 N -2.41 -0.20 0.62 1.62 1.04 -1.20 0.23 113.70 113.40 1kee s SER 72 Ca 0.30 -0.61 0.36 0.00 0.48 0.00 0.00 55.95 56.49 1kee s SER 72 Cb 0.20 0.67 2.08 0.00 0.10 0.00 0.00 66.02 69.07 1kee s SER 72 CO 0.46 -1.24 2.30 0.77 0.98 0.00 0.00 173.24 176.51 1kee h SER 73 N 2.00 0.00 -5.38 7.02 4.64 -1.90 -3.45 113.55 116.47 1kee h SER 73 Ca -0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.96 1kee h SER 73 Cb 1.24 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.23 1kee h SER 73 CO 0.26 0.00 -0.26 0.00 -0.87 0.00 0.00 176.83 175.96 1kee s GLN 74 N -4.40 1.53 -0.41 4.77 -2.07 -1.26 -5.11 119.66 112.70 1kee s GLN 74 Ca -0.05 -1.44 -0.29 0.00 -1.82 0.00 0.00 55.36 51.76 1kee s GLN 74 Cb 0.14 0.42 0.02 0.00 -1.09 0.00 0.00 33.01 32.49 1kee s GLN 74 CO 0.49 -0.61 1.21 0.08 -1.32 0.00 0.00 175.29 175.14 1kee s VAL 75 N -3.87 4.19 -0.09 3.63 1.01 -1.26 -4.53 120.40 119.47 1kee s VAL 75 Ca 0.28 1.26 0.15 0.00 0.00 0.00 0.00 61.98 63.68 1kee s VAL 75 Cb 0.01 -4.42 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 1kee s VAL 75 CO 0.12 -0.78 0.88 0.45 0.00 0.00 0.00 175.10 175.77 1kee h HIS 76 N 9.34 0.00 -3.21 5.22 -0.00 -1.57 -3.47 115.15 121.45 1kee h HIS 76 Ca -0.24 0.00 -0.54 0.00 -0.00 0.00 0.00 60.37 59.59 1kee h HIS 76 Cb 1.08 0.00 0.09 0.00 -0.00 0.00 0.00 27.41 28.57 1kee h HIS 76 CO 0.93 0.70 0.83 0.00 -0.00 0.00 0.00 177.93 180.39 1kee n ALA 77 N -2.41 2.30 -0.16 2.45 0.00 -1.12 -3.59 120.51 117.98 1kee n ALA 77 Ca -0.10 0.38 -0.06 0.00 0.00 0.00 0.00 53.44 53.66 1kee n ALA 77 Cb 0.89 -2.43 0.10 0.00 0.00 0.00 0.00 19.45 18.00 1kee n ALA 77 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1kee h GLN 78 N 4.58 0.92 -3.01 0.00 5.75 -0.13 -3.47 115.11 119.76 1kee h GLN 78 Ca -0.47 -0.27 0.05 0.00 -0.15 0.00 0.00 58.65 57.81 1kee h GLN 78 Cb 1.23 -0.10 -0.07 0.00 1.07 0.00 0.00 27.48 29.62 1kee h GLN 78 CO 0.78 0.91 0.22 0.20 -2.65 0.00 0.00 178.83 178.29 1kee s GLY 79 N -3.66 -0.19 -0.05 2.39 0.00 -1.15 -4.53 107.32 100.12 1kee s GLY 79 Ca -0.10 -0.15 0.02 0.00 0.00 0.00 0.00 44.72 44.49 1kee s GLY 79 CO 0.83 -0.05 -0.11 -2.27 0.00 0.00 0.00 173.10 171.51 1kee s LEU 80 N -2.89 1.63 -0.20 0.66 2.96 -1.13 -0.06 118.68 119.66 1kee s LEU 80 Ca 0.09 -0.25 0.01 0.00 -0.22 0.00 0.00 54.13 53.76 1kee s LEU 80 Cb -0.05 -0.72 0.04 0.00 0.50 0.00 0.00 46.19 45.96 1kee s LEU 80 CO 0.03 0.03 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.25 1kee s VAL 81 N 0.58 1.93 0.14 1.68 1.01 0.21 -1.83 120.40 124.12 1kee s VAL 81 Ca -0.11 -1.10 0.02 0.00 0.00 0.00 0.00 61.98 60.79 1kee s VAL 81 Cb -0.14 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1kee s VAL 81 CO 0.02 0.29 -0.03 0.27 0.00 0.00 0.00 175.10 175.65 1kee s ILE 82 N 1.29 0.75 -0.08 2.22 -4.36 -0.83 -1.75 121.20 118.45 1kee s ILE 82 Ca -0.00 -1.98 -0.23 0.00 -0.26 0.00 0.00 60.65 58.18 1kee s ILE 82 Cb -0.16 -1.94 -0.19 0.00 1.25 0.00 0.00 42.46 41.43 1kee s ILE 82 CO -0.10 -0.64 0.88 -0.09 0.24 0.00 0.00 174.94 175.23 1kee h ARG 83 N 2.79 -0.08 -3.58 0.37 9.65 -1.77 -2.47 114.38 119.30 1kee h ARG 83 Ca -0.36 0.01 -0.25 0.00 -1.10 0.00 0.00 59.98 58.27 1kee h ARG 83 Cb 1.19 0.02 -0.30 0.00 -1.39 0.00 0.00 29.97 29.49 1kee h ARG 83 CO 0.63 0.51 -0.69 0.34 2.80 0.00 0.00 179.97 183.56 1kee s ASP 84 N -5.76 -0.00 -0.28 -3.80 2.15 0.14 -0.70 116.67 108.41 1kee s ASP 84 Ca -0.15 0.07 -0.10 0.00 0.43 0.00 0.00 52.55 52.80 1kee s ASP 84 Cb -0.00 0.03 -0.04 0.00 -0.30 0.00 0.00 42.92 42.60 1kee s ASP 84 CO 0.56 -0.06 0.17 -0.22 -0.17 0.00 0.00 175.17 175.44 1kee s LEU 85 N 0.46 3.92 0.37 -1.34 2.96 -1.26 -1.58 118.68 122.22 1kee s LEU 85 Ca -0.04 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.52 1kee s LEU 85 Cb -0.05 -2.08 -0.10 0.00 0.50 0.00 0.00 46.19 44.45 1kee s LEU 85 CO -0.01 -0.06 1.41 -2.16 -1.32 0.00 0.00 176.35 174.21 1kee s PRO 86 N 1.73 4.15 0.25 0.98 0.04 -1.26 -4.92 135.00 135.97 1kee s PRO 86 Ca 0.07 2.41 -0.05 0.00 0.04 0.00 0.00 61.00 63.47 1kee s PRO 86 Cb -0.16 -2.96 0.49 0.00 0.04 0.00 0.00 34.50 31.91 1kee s PRO 86 CO 0.09 -0.44 1.66 -0.07 0.04 0.00 0.00 177.00 178.28 1kee h LEU 87 N 3.05 -0.14 -8.74 -3.56 4.07 -1.96 -3.43 115.31 104.59 1kee h LEU 87 Ca -0.50 0.17 -0.30 0.00 0.08 0.00 0.00 57.88 57.34 1kee h LEU 87 Cb 1.24 0.27 -0.15 0.00 1.08 0.00 0.00 40.66 43.10 1kee h LEU 87 CO 0.64 -0.12 -0.61 0.27 -1.08 0.00 0.00 178.44 177.54 1kee s ILE 88 N -6.06 0.25 -0.16 1.22 -4.36 -1.26 -5.15 121.20 105.69 1kee s ILE 88 Ca -0.13 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.21 1kee s ILE 88 Cb 0.22 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.34 1kee s ILE 88 CO 0.76 0.00 0.03 0.00 0.24 0.00 0.00 174.94 175.96 1kee s ALA 89 N -3.96 3.29 -0.45 2.27 0.00 -1.26 -4.69 121.76 116.95 1kee s ALA 89 Ca 0.38 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.60 1kee s ALA 89 Cb 0.07 -1.75 0.14 0.00 0.00 0.00 0.00 23.12 21.59 1kee s ALA 89 CO 0.13 0.27 0.27 0.45 0.00 0.00 0.00 175.76 176.89 1kee s SER 90 N 0.12 3.39 -0.25 0.00 0.15 0.10 -4.86 113.70 112.37 1kee s SER 90 Ca 0.03 -2.76 -0.16 0.00 0.70 0.00 0.00 55.95 53.76 1kee s SER 90 Cb -0.13 -0.94 0.07 0.00 -1.71 0.00 0.00 66.02 63.31 1kee s SER 90 CO 0.01 -0.24 0.62 0.21 1.20 0.00 0.00 173.24 175.04 1kee s ASN 91 N 0.21 -0.79 0.34 5.45 3.84 -1.26 -4.70 114.94 118.04 1kee s ASN 91 Ca 0.20 1.33 0.24 0.00 0.21 0.00 0.00 52.86 54.84 1kee s ASN 91 Cb -0.18 1.23 1.24 0.00 -0.55 0.00 0.00 41.25 42.99 1kee s ASN 91 CO -0.04 -0.23 1.74 2.19 -2.79 0.00 0.00 177.10 177.97 1kee h PHE 92 N 6.62 0.00 0.00 0.43 -5.15 -1.97 -1.00 116.94 115.87 1kee h PHE 92 Ca -0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.46 1kee h PHE 92 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 1kee h PHE 92 CO 0.17 0.00 -0.93 0.54 -2.00 0.00 0.00 178.31 176.09 1kee n ARG 93 N -2.34 0.16 -1.84 6.09 1.74 -1.26 -4.95 116.66 114.26 1kee n ARG 93 Ca -0.01 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.65 1kee n ARG 93 Cb 0.09 -1.55 -0.01 0.00 -1.02 0.00 0.00 32.46 29.97 1kee n ARG 93 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1kee s ASN 94 N -3.50 6.43 0.00 0.55 2.47 -0.38 -4.53 114.94 115.98 1kee s ASN 94 Ca 0.06 2.92 0.00 0.00 0.42 0.00 0.00 52.86 56.26 1kee s ASN 94 Cb 0.15 -2.64 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 1kee s ASN 94 CO 0.80 -0.85 0.00 0.35 -3.72 0.00 0.00 177.10 173.68 1kee n THR 95 N 1.66 0.00 -3.55 -5.21 -2.24 0.60 -4.90 114.28 100.64 1kee n THR 95 Ca 0.06 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.58 1kee n THR 95 Cb 0.39 0.74 -0.05 0.00 -2.10 0.00 0.00 70.33 69.30 1kee n THR 95 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1kee s GLU 96 N -1.39 0.35 0.74 -0.78 2.12 -1.07 -4.97 118.70 113.70 1kee s GLU 96 Ca 0.00 0.71 -0.16 0.00 0.36 0.00 0.00 54.97 55.89 1kee s GLU 96 Cb 0.00 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 1kee s GLU 96 CO 0.00 -0.09 0.58 -0.40 -0.54 0.00 0.00 175.26 174.81 1kee n ASP 97 N 4.25 -1.03 -0.29 -1.70 5.68 -1.26 -1.79 116.55 120.41 1kee n ASP 97 Ca -0.15 0.58 -0.04 0.00 -0.50 0.00 0.00 54.79 54.69 1kee n ASP 97 Cb 0.55 -1.24 0.08 0.00 -1.14 0.00 0.00 41.12 39.37 1kee n ASP 97 CO 0.00 0.00 0.00 0.25 -1.33 0.00 0.00 177.20 176.12 1kee h LEU 98 N -0.45 0.92 0.21 -2.12 5.85 -1.84 -1.84 115.31 116.03 1kee h LEU 98 Ca -0.46 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1kee h LEU 98 Cb 1.34 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1kee h LEU 98 CO 0.43 0.66 -0.10 -1.28 -0.34 0.00 0.00 178.44 177.81 1kee h SER 99 N 1.08 -0.24 -0.82 1.25 0.87 -1.91 -0.75 113.55 113.03 1kee h SER 99 Ca 0.30 -0.09 0.11 0.00 -1.23 0.00 0.00 61.79 60.89 1kee h SER 99 Cb -0.11 0.06 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 1kee h SER 99 CO -0.07 -0.06 0.54 0.28 -0.53 0.00 0.00 176.83 176.98 1kee h SER 100 N -0.40 0.64 -0.45 6.23 0.02 -1.83 0.74 113.55 118.50 1kee h SER 100 Ca -0.03 0.02 -0.14 0.00 -0.84 0.00 0.00 61.79 60.81 1kee h SER 100 Cb 0.31 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 1kee h SER 100 CO 0.05 0.36 -0.25 0.22 -1.14 0.00 0.00 176.83 176.06 1kee h TYR 101 N 0.70 1.13 -0.14 3.45 3.20 -1.02 0.30 116.97 124.58 1kee h TYR 101 Ca 0.39 -0.29 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 1kee h TYR 101 Cb 0.56 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 1kee h TYR 101 CO -0.00 1.11 0.04 -0.07 -1.64 0.00 0.00 178.16 177.60 1kee h LEU 102 N 0.81 0.22 -0.23 2.82 3.38 0.33 -1.31 115.31 121.33 1kee h LEU 102 Ca 0.10 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1kee h LEU 102 Cb 0.84 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1kee h LEU 102 CO 0.07 0.39 0.04 0.11 0.09 0.00 0.00 178.44 179.14 1kee h LYS 103 N 0.04 0.13 -0.82 1.13 1.57 -0.83 0.11 116.57 117.88 1kee h LYS 103 Ca 0.05 -0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.95 1kee h LYS 103 Cb 0.25 -0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.44 1kee h LYS 103 CO 0.00 0.08 0.42 -0.09 -0.57 0.00 0.00 179.45 179.30 1kee h ARG 104 N 0.13 0.62 -0.27 3.15 2.43 -0.69 0.20 114.38 119.96 1kee h ARG 104 Ca 0.10 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1kee h ARG 104 Cb 0.10 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1kee h ARG 104 CO -0.14 0.41 0.00 0.72 -1.51 0.00 0.00 179.97 179.45 1kee n HIS 105 N -4.86 0.35 -3.80 2.20 8.25 -0.52 -4.93 115.22 111.92 1kee n HIS 105 Ca 0.16 -0.18 -0.26 0.00 -0.26 0.00 0.00 57.72 57.17 1kee n HIS 105 Cb 0.39 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.51 1kee n HIS 105 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1kee n ASN 106 N 0.33 -2.29 -4.55 0.41 3.02 0.72 -4.95 115.26 107.95 1kee n ASN 106 Ca 0.11 -0.97 -0.34 0.00 -0.03 0.00 0.00 54.58 53.36 1kee n ASN 106 Cb 0.26 -3.40 -0.11 0.00 -0.61 0.00 0.00 39.78 35.91 1kee n ASN 106 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1kee s ILE 107 N -3.72 3.82 -0.15 2.41 -1.09 -0.08 -4.82 121.20 117.56 1kee s ILE 107 Ca 0.17 -0.42 -0.26 0.00 -2.23 0.00 0.00 60.65 57.91 1kee s ILE 107 Cb -0.06 -2.61 -0.01 0.00 -1.58 0.00 0.00 42.46 38.20 1kee s ILE 107 CO 0.86 0.56 0.88 -0.69 -1.23 0.00 0.00 174.94 175.32 1kee s VAL 108 N -0.35 4.85 -0.10 2.92 1.01 -1.26 0.12 120.40 127.59 1kee s VAL 108 Ca 0.05 1.75 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 1kee s VAL 108 Cb -0.12 -4.19 0.04 0.00 0.00 0.00 0.00 36.38 32.11 1kee s VAL 108 CO 0.02 0.02 0.41 0.00 0.00 0.00 0.00 175.10 175.55 1kee s ALA 109 N 2.13 -1.03 0.07 5.51 0.00 -1.26 -2.82 121.76 124.36 1kee s ALA 109 Ca 0.41 0.93 0.07 0.00 0.00 0.00 0.00 51.96 53.38 1kee s ALA 109 Cb -0.17 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 1kee s ALA 109 CO 0.14 -0.23 -0.20 -1.50 0.00 0.00 0.00 175.76 173.96 1kee s ILE 110 N -0.39 1.62 0.38 0.00 2.07 -0.76 -1.21 121.20 122.90 1kee s ILE 110 Ca -0.05 -1.33 0.04 0.00 -1.41 0.00 0.00 60.65 57.90 1kee s ILE 110 Cb -0.03 -1.44 -0.05 0.00 0.13 0.00 0.00 42.46 41.06 1kee s ILE 110 CO 0.03 0.06 0.07 0.00 -1.91 0.00 0.00 174.94 173.18 1kee s ALA 111 N -0.97 2.78 -0.64 1.50 0.00 0.10 -1.96 121.76 122.58 1kee s ALA 111 Ca 0.06 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.32 1kee s ALA 111 Cb -0.09 0.56 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1kee s ALA 111 CO 0.03 -0.27 0.08 -0.25 0.00 0.00 0.00 175.76 175.35 1kee n ASP 112 N -0.94 -2.99 -4.47 0.00 10.43 0.12 -1.44 116.55 117.27 1kee n ASP 112 Ca -0.05 -0.04 -0.26 0.00 2.57 0.00 0.00 54.79 57.00 1kee n ASP 112 Cb 0.66 -2.17 -0.11 0.00 1.84 0.00 0.00 41.12 41.35 1kee n ASP 112 CO 0.00 0.00 0.00 0.27 -1.07 0.00 0.00 177.20 176.40 1kee s ILE 113 N -2.52 2.55 -1.07 0.53 -5.25 -1.24 -4.68 121.20 109.52 1kee s ILE 113 Ca 0.04 -2.06 -0.23 0.00 -0.99 0.00 0.00 60.65 57.41 1kee s ILE 113 Cb -0.02 -2.26 -0.06 0.00 2.95 0.00 0.00 42.46 43.07 1kee s ILE 113 CO 0.05 -0.19 1.91 -0.62 -1.79 0.00 0.00 174.94 174.30 1kee s ASP 114 N -2.93 5.21 0.57 4.36 3.68 -1.26 -4.40 116.67 121.90 1kee s ASP 114 Ca 0.24 -1.30 0.34 0.00 2.13 0.00 0.00 52.55 53.96 1kee s ASP 114 Cb -0.07 -2.58 1.73 0.00 -1.45 0.00 0.00 42.92 40.55 1kee s ASP 114 CO 0.12 -2.80 2.14 0.71 0.13 0.00 0.00 175.17 175.47 1kee h THR 115 N 6.61 0.25 0.04 1.71 1.35 -1.93 -2.27 112.91 118.66 1kee h THR 115 Ca 0.18 -0.36 -0.24 0.00 -0.55 0.00 0.00 66.41 65.44 1kee h THR 115 Cb 0.96 1.28 0.02 0.00 -1.73 0.00 0.00 68.15 68.69 1kee h THR 115 CO 1.24 0.05 -0.94 -0.09 -0.25 0.00 0.00 175.52 175.53 1kee h ARG 116 N 0.00 0.57 -0.08 4.72 2.43 -1.92 -0.92 114.38 119.19 1kee h ARG 116 Ca -0.00 -0.67 0.03 0.00 -0.81 0.00 0.00 59.98 58.54 1kee h ARG 116 Cb 0.28 0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.99 1kee h ARG 116 CO 0.01 1.27 -0.15 -0.22 -1.51 0.00 0.00 179.97 179.36 1kee h LYS 117 N 0.17 -0.21 -0.33 0.20 3.64 -1.89 -0.17 116.57 117.98 1kee h LYS 117 Ca -0.13 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1kee h LYS 117 Cb 1.63 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.45 1kee h LYS 117 CO 0.18 -0.14 0.07 1.25 -2.27 0.00 0.00 179.45 178.55 1kee h LEU 118 N -0.22 0.03 0.15 5.20 5.85 -1.42 -1.79 115.31 123.11 1kee h LEU 118 Ca 0.08 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1kee h LEU 118 Cb 0.32 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.41 1kee h LEU 118 CO -0.20 0.05 -0.09 0.74 -0.34 0.00 0.00 178.44 178.60 1kee h THR 119 N 0.19 0.82 -0.65 1.05 2.02 -0.77 -1.31 112.91 114.26 1kee h THR 119 Ca 0.15 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.42 1kee h THR 119 Cb 0.16 0.82 -0.04 0.00 -1.74 0.00 0.00 68.15 67.35 1kee h THR 119 CO -0.19 0.00 0.43 0.03 0.37 0.00 0.00 175.52 176.16 1kee h ARG 120 N -0.23 0.53 -0.10 6.66 3.08 -0.90 0.18 114.38 123.61 1kee h ARG 120 Ca -0.02 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.97 1kee h ARG 120 Cb 0.18 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1kee h ARG 120 CO 0.02 0.35 -0.07 1.25 -1.07 0.00 0.00 179.97 180.45 1kee h LEU 121 N 0.55 0.24 -1.11 3.04 5.85 -0.90 -0.59 115.31 122.39 1kee h LEU 121 Ca 0.29 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.50 1kee h LEU 121 Cb 0.43 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1kee h LEU 121 CO -0.09 0.64 0.02 -0.07 -0.34 0.00 0.00 178.44 178.60 1kee h LEU 122 N -0.16 0.61 -0.33 2.25 3.38 -0.49 0.80 115.31 121.36 1kee h LEU 122 Ca 0.02 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 1kee h LEU 122 Cb 0.56 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1kee h LEU 122 CO 0.02 0.66 -0.23 -0.09 0.09 0.00 0.00 178.44 178.89 1kee h ARG 123 N 0.61 0.74 0.02 1.13 2.43 -0.55 0.10 114.38 118.87 1kee h ARG 123 Ca 0.13 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1kee h ARG 123 Cb 0.36 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1kee h ARG 123 CO 0.01 0.97 -0.01 0.93 -1.51 0.00 0.00 179.97 180.36 1kee h GLU 124 N 0.50 -0.03 -0.00 0.20 4.39 -0.84 -3.36 114.58 115.44 1kee h GLU 124 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1kee h GLU 124 Cb 0.79 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1kee h GLU 124 CO 0.06 0.57 -0.74 1.63 -1.16 0.00 0.00 179.01 179.38 1kee n LYS 125 N -4.81 0.19 0.00 2.33 5.02 0.25 -5.09 118.16 116.05 1kee n LYS 125 Ca -0.09 -0.14 0.00 0.00 -2.02 0.00 0.00 58.31 56.06 1kee n LYS 125 Cb 0.31 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.82 1kee n LYS 125 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1kee n GLY 126 N 1.48 -0.18 3.50 0.72 0.00 0.36 -4.98 105.19 106.09 1kee n GLY 126 Ca 0.06 -1.78 -0.36 0.00 0.00 0.00 0.00 46.02 43.93 1kee n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee n ALA 127 N -0.04 -1.21 -3.29 4.61 0.00 -0.17 -4.57 120.51 115.84 1kee n ALA 127 Ca 0.00 -0.22 -0.14 0.00 0.00 0.00 0.00 53.44 53.08 1kee n ALA 127 Cb 0.00 -1.91 -0.08 0.00 0.00 0.00 0.00 19.45 17.46 1kee n ALA 127 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1kee s GLN 128 N -2.86 0.72 0.29 0.00 -0.21 -1.26 -5.04 119.66 111.31 1kee s GLN 128 Ca 0.67 -0.08 -0.09 0.00 0.02 0.00 0.00 55.36 55.88 1kee s GLN 128 Cb -0.35 0.33 -0.07 0.00 1.00 0.00 0.00 33.01 33.92 1kee s GLN 128 CO 0.56 -0.20 0.62 -0.80 -2.12 0.00 0.00 175.29 173.35 1kee s ASN 129 N -1.22 6.57 0.38 5.90 0.01 -1.26 -0.13 114.94 125.19 1kee s ASN 129 Ca -0.12 0.95 -0.14 0.00 -0.71 0.00 0.00 52.86 52.83 1kee s ASN 129 Cb -0.04 -2.24 0.05 0.00 0.41 0.00 0.00 41.25 39.43 1kee s ASN 129 CO 0.05 -0.19 0.75 -0.83 -1.51 0.00 0.00 177.10 175.37 1kee s GLY 130 N -2.74 0.51 0.01 0.66 0.00 0.28 -1.77 107.32 104.26 1kee s GLY 130 Ca 0.48 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 44.35 1kee s GLY 130 CO 0.25 -0.40 -0.01 0.00 0.00 0.00 0.00 173.10 172.94 1kee s ILE 132 N -0.57 3.09 -0.15 0.00 1.01 0.14 -0.12 121.20 124.59 1kee s ILE 132 Ca -0.06 -0.68 -0.00 0.00 0.00 0.00 0.00 60.65 59.90 1kee s ILE 132 Cb -0.04 -2.25 0.04 0.00 0.01 0.00 0.00 42.46 40.21 1kee s ILE 132 CO -0.00 0.56 -0.07 -0.63 0.00 0.00 0.00 174.94 174.80 1kee s ILE 133 N -0.20 1.14 -0.18 2.92 1.01 0.14 -0.91 121.20 125.12 1kee s ILE 133 Ca 0.00 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.10 1kee s ILE 133 Cb -0.13 -1.25 0.00 0.00 0.01 0.00 0.00 42.46 41.09 1kee s ILE 133 CO 0.03 0.22 -0.14 0.00 0.00 0.00 0.00 174.94 175.05 1kee s ALA 134 N 1.63 2.53 0.00 9.38 0.00 0.34 -1.26 121.76 134.38 1kee s ALA 134 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.86 1kee s ALA 134 Cb -0.14 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.65 1kee s ALA 134 CO -0.08 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 175.88 1kee n GLY 135 N 4.37 -1.29 0.47 0.00 0.00 -0.99 -0.36 105.19 107.39 1kee n GLY 135 Ca -0.19 -0.91 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 1kee n GLY 135 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1kee h ASP 136 N 0.00 -1.66 -2.15 1.61 5.19 -1.94 -3.24 116.42 114.22 1kee h ASP 136 Ca 0.00 0.19 -0.57 0.00 -0.62 0.00 0.00 57.03 56.03 1kee h ASP 136 Cb 0.00 0.64 -0.39 0.00 0.18 0.00 0.00 39.33 39.76 1kee h ASP 136 CO 0.00 -0.50 -1.00 0.59 -3.12 0.00 0.00 179.24 175.20 1kee n ASN 137 N -5.45 0.47 -4.57 6.45 4.13 -1.26 -4.57 115.26 110.46 1kee n ASN 137 Ca -0.07 -2.70 -0.54 0.00 1.68 0.00 0.00 54.58 52.95 1kee n ASN 137 Cb 0.39 -0.62 -0.06 0.00 -1.54 0.00 0.00 39.78 37.94 1kee n ASN 137 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1kee n PRO 138 N 1.74 0.84 -3.12 3.52 -0.02 -1.26 -4.91 135.00 131.79 1kee n PRO 138 Ca 0.24 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.60 1kee n PRO 138 Cb 0.50 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 1kee n PRO 138 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1kee s ASP 139 N 0.35 6.33 0.16 2.55 2.15 -1.26 -4.95 116.67 122.00 1kee s ASP 139 Ca 0.86 -0.28 -0.15 0.00 0.43 0.00 0.00 52.55 53.41 1kee s ASP 139 Cb -1.04 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 39.31 1kee s ASP 139 CO 0.50 -0.74 1.81 0.00 -0.17 0.00 0.00 175.17 176.56 1kee h ALA 140 N 8.81 0.55 -0.53 3.66 0.00 -1.99 -0.86 119.26 128.89 1kee h ALA 140 Ca -0.26 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 1kee h ALA 140 Cb 1.10 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1kee h ALA 140 CO 0.88 -0.04 0.22 0.00 0.00 0.00 0.00 179.25 180.31 1kee h ALA 141 N 1.18 0.69 -0.84 0.00 0.00 -1.99 -1.05 119.26 117.25 1kee h ALA 141 Ca 0.17 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1kee h ALA 141 Cb -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1kee h ALA 141 CO -0.06 0.29 0.47 1.25 0.00 0.00 0.00 179.25 181.20 1kee h LEU 142 N 0.72 1.03 -0.65 0.00 5.85 -1.92 -0.36 115.31 119.98 1kee h LEU 142 Ca 0.18 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1kee h LEU 142 Cb 0.18 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1kee h LEU 142 CO -0.02 0.82 0.26 0.00 -0.34 0.00 0.00 178.44 179.17 1kee h ALA 143 N 1.25 0.85 -0.46 1.25 0.00 -0.77 -0.13 119.26 121.25 1kee h ALA 143 Ca 0.30 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1kee h ALA 143 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1kee h ALA 143 CO -0.05 0.46 0.01 1.25 0.00 0.00 0.00 179.25 180.93 1kee h LEU 144 N 0.92 0.71 0.47 0.00 5.85 -0.83 0.04 115.31 122.47 1kee h LEU 144 Ca 0.22 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1kee h LEU 144 Cb 0.21 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1kee h LEU 144 CO -0.02 0.77 -0.23 -0.08 -0.34 0.00 0.00 178.44 178.54 1kee h GLU 145 N 0.70 -0.61 -0.75 1.25 4.81 -0.62 -1.39 114.58 117.96 1kee h GLU 145 Ca 0.14 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1kee h GLU 145 Cb 0.41 0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 1kee h GLU 145 CO 0.02 -0.36 0.47 0.87 -0.73 0.00 0.00 179.01 179.27 1kee h LYS 146 N -0.74 0.87 -0.11 1.92 1.57 -0.84 -1.29 116.57 117.95 1kee h LYS 146 Ca -0.07 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1kee h LYS 146 Cb 0.54 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.61 1kee h LYS 146 CO 0.11 0.57 -0.13 0.00 -0.57 0.00 0.00 179.45 179.43 1kee h ALA 147 N 1.34 -0.05 -0.11 3.86 0.00 -0.85 -2.41 119.26 121.02 1kee h ALA 147 Ca 0.31 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 55.17 1kee h ALA 147 Cb 0.07 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1kee h ALA 147 CO -0.13 -0.58 -0.37 0.00 0.00 0.00 0.00 179.25 178.16 1kee h ARG 148 N -0.16 0.23 0.00 0.00 3.08 -1.11 -3.12 114.38 113.30 1kee h ARG 148 Ca 0.08 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1kee h ARG 148 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1kee h ARG 148 CO -0.20 0.58 -0.43 0.00 -1.07 0.00 0.00 179.97 178.84 1kee h ALA 149 N 1.42 1.18 -1.67 0.04 0.00 -0.93 -3.46 119.26 115.84 1kee h ALA 149 Ca 0.02 -0.40 -0.69 0.00 0.00 0.00 0.00 54.91 53.85 1kee h ALA 149 Cb 0.75 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 18.52 1kee h ALA 149 CO 0.06 0.54 0.57 0.34 0.00 0.00 0.00 179.25 180.76 1kee n PHE 150 N -3.87 1.66 0.05 0.00 -0.00 -0.94 -4.87 117.46 109.49 1kee n PHE 150 Ca -0.01 0.60 0.03 0.00 -0.00 0.00 0.00 57.45 58.06 1kee n PHE 150 Cb 0.48 -2.37 0.41 0.00 -0.00 0.00 0.00 39.48 38.00 1kee n PHE 150 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1kee h PRO 151 N 5.24 0.42 0.00 -7.13 0.11 -1.91 -3.49 132.00 125.23 1kee h PRO 151 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1kee h PRO 151 Cb 1.33 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kee h PRO 151 CO 0.82 0.37 0.00 0.41 -0.21 0.00 0.00 178.00 179.39 1kee n GLY 152 N -1.22 1.78 0.18 -0.55 0.00 -1.26 -4.80 105.19 99.32 1kee n GLY 152 Ca 0.01 -1.53 0.14 0.00 0.00 0.00 0.00 46.02 44.64 1kee n GLY 152 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1kee h LEU 153 N 0.00 0.00 -9.24 0.99 4.07 -1.95 -3.40 115.31 105.78 1kee h LEU 153 Ca 0.00 0.00 -0.55 0.00 0.08 0.00 0.00 57.88 57.41 1kee h LEU 153 Cb 0.00 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1kee h LEU 153 CO 0.00 0.00 1.09 0.21 -1.08 0.00 0.00 178.44 178.66 1kee s ASN 154 N -5.12 6.63 0.00 -0.43 3.04 -1.26 -1.57 114.94 116.23 1kee s ASN 154 Ca 0.05 2.18 0.00 0.00 0.04 0.00 0.00 52.86 55.13 1kee s ASN 154 Cb 0.09 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 37.27 1kee s ASN 154 CO 0.54 -0.96 0.00 0.61 -3.04 0.00 0.00 177.10 174.24 1kee n GLY 155 N 4.19 1.03 3.67 1.21 0.00 -1.26 -5.03 105.19 109.00 1kee n GLY 155 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 1kee n GLY 155 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1kee s MET 156 N -0.56 4.27 -0.42 1.61 0.00 -0.61 -4.77 119.30 118.83 1kee s MET 156 Ca 0.00 0.73 -0.20 0.00 0.00 0.00 0.00 55.69 56.22 1kee s MET 156 Cb 0.00 -3.55 0.02 0.00 0.00 0.00 0.00 34.83 31.30 1kee s MET 156 CO 0.00 -0.18 0.59 0.34 0.00 0.00 0.00 175.02 175.77 1kee s ASP 157 N 1.09 6.31 -0.02 1.11 3.68 -1.26 0.21 116.67 127.78 1kee s ASP 157 Ca 0.32 -0.31 0.16 0.00 2.13 0.00 0.00 52.55 54.85 1kee s ASP 157 Cb -0.16 -2.30 -0.24 0.00 -1.45 0.00 0.00 42.92 38.77 1kee s ASP 157 CO 0.12 -0.69 0.41 0.18 0.13 0.00 0.00 175.17 175.32 1kee n LEU 158 N 6.06 0.12 -0.29 -1.34 4.77 -1.26 -4.46 117.00 120.61 1kee n LEU 158 Ca -0.03 -0.08 0.06 0.00 -0.03 0.00 0.00 56.01 55.93 1kee n LEU 158 Cb 0.48 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.78 1kee n LEU 158 CO 0.51 0.03 1.09 0.00 -1.33 0.00 0.00 177.39 177.69 1kee h ALA 159 N 1.61 1.22 0.00 -1.18 0.00 -1.75 0.18 119.26 119.34 1kee h ALA 159 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1kee h ALA 159 Cb 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1kee h ALA 159 CO 0.00 -0.08 0.00 1.57 0.00 0.00 0.00 179.25 180.74 1kee h LYS 160 N 0.62 0.00 0.00 0.00 2.10 -1.85 -2.49 116.57 114.94 1kee h LYS 160 Ca 0.44 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 59.06 1kee h LYS 160 Cb 0.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.92 1kee h LYS 160 CO -0.35 0.00 -0.91 0.93 -2.00 0.00 0.00 179.45 177.13 1kee h GLU 161 N 0.00 0.00 -0.00 0.07 4.39 -0.89 -3.37 114.58 114.78 1kee h GLU 161 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1kee h GLU 161 Cb 0.50 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1kee h GLU 161 CO 0.00 0.06 -0.41 1.33 -1.16 0.00 0.00 179.01 178.84 1kee n VAL 162 N -2.79 0.00 -1.08 3.13 0.24 -0.94 -5.03 118.33 111.86 1kee n VAL 162 Ca -0.01 -0.30 -0.31 0.00 -2.04 0.00 0.00 64.34 61.68 1kee n VAL 162 Cb 0.60 1.02 0.12 0.00 -1.47 0.00 0.00 33.84 34.11 1kee n VAL 162 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1kee s THR 163 N -1.80 2.83 0.37 3.34 -1.32 -0.95 -4.66 115.64 113.44 1kee s THR 163 Ca 0.05 0.28 -0.27 0.00 -1.21 0.00 0.00 61.69 60.54 1kee s THR 163 Cb 0.07 -2.60 -0.09 0.00 -1.51 0.00 0.00 72.50 68.38 1kee s THR 163 CO 0.37 -0.34 1.19 0.28 -2.21 0.00 0.00 174.62 173.90 1kee s THR 164 N -2.76 3.11 0.01 5.08 -1.32 -1.26 -4.99 115.64 113.50 1kee s THR 164 Ca 0.64 1.00 -0.10 0.00 -1.21 0.00 0.00 61.69 62.02 1kee s THR 164 Cb -0.20 -3.59 -0.05 0.00 -1.51 0.00 0.00 72.50 67.15 1kee s THR 164 CO 0.56 0.15 0.97 0.00 -2.21 0.00 0.00 174.62 174.09 1kee h ALA 165 N 2.99 -0.92 -5.64 11.08 0.00 -2.00 -3.40 119.26 121.37 1kee h ALA 165 Ca -0.48 -0.08 -0.31 0.00 0.00 0.00 0.00 54.91 54.04 1kee h ALA 165 Cb 1.23 0.13 0.02 0.00 0.00 0.00 0.00 17.79 19.17 1kee h ALA 165 CO 0.64 -0.89 -0.05 0.39 0.00 0.00 0.00 179.25 179.34 1kee n GLU 166 N -3.07 0.76 -3.95 0.00 1.02 -1.26 -4.80 120.64 109.33 1kee n GLU 166 Ca -0.04 -2.00 -0.25 0.00 -0.02 0.00 0.00 57.16 54.85 1kee n GLU 166 Cb 0.14 -0.14 -0.03 0.00 -0.02 0.00 0.00 31.44 31.39 1kee n GLU 166 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1kee s ALA 167 N -2.45 3.95 0.35 0.62 0.00 -1.26 -4.54 121.76 118.43 1kee s ALA 167 Ca 0.38 -1.09 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 1kee s ALA 167 Cb -0.03 -1.76 0.00 0.00 0.00 0.00 0.00 23.12 21.33 1kee s ALA 167 CO 0.24 0.45 0.48 1.52 0.00 0.00 0.00 175.76 178.45 1kee s TYR 168 N -1.81 1.06 -0.12 0.00 1.13 -0.73 -4.96 117.35 111.92 1kee s TYR 168 Ca 0.34 -1.29 0.01 0.00 -1.41 0.00 0.00 57.07 54.72 1kee s TYR 168 Cb -0.10 -0.07 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1kee s TYR 168 CO 0.29 -1.15 -0.13 0.45 -2.51 0.00 0.00 175.55 172.49 1kee s SER 169 N -3.24 4.01 -0.15 -0.18 0.15 -1.26 0.84 113.70 113.87 1kee s SER 169 Ca 0.30 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1kee s SER 169 Cb -0.01 -1.48 -0.00 0.00 -1.71 0.00 0.00 66.02 62.82 1kee s SER 169 CO 0.20 0.20 -0.15 0.86 1.20 0.00 0.00 173.24 175.55 1kee s TRP 170 N 0.17 2.79 -0.02 3.44 -0.11 0.00 -4.98 118.94 120.23 1kee s TRP 170 Ca -0.07 -1.00 0.03 0.00 1.22 0.00 0.00 56.10 56.27 1kee s TRP 170 Cb -0.15 -1.89 0.04 0.00 -1.50 0.00 0.00 33.47 29.98 1kee s TRP 170 CO 0.05 -0.45 0.87 0.25 -4.62 0.00 0.00 176.95 173.05 1kee n THR 171 N 4.02 0.40 -3.43 5.86 -2.24 -1.26 -1.27 114.28 116.36 1kee n THR 171 Ca -0.19 -0.46 -0.37 0.00 -2.27 0.00 0.00 64.05 60.76 1kee n THR 171 Cb 0.52 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.23 1kee n THR 171 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1kee s GLN 172 N -0.56 3.96 0.22 -0.78 0.74 -1.26 -0.92 119.66 121.07 1kee s GLN 172 Ca 0.05 0.46 0.01 0.00 0.05 0.00 0.00 55.36 55.93 1kee s GLN 172 Cb 0.04 -3.11 0.04 0.00 1.10 0.00 0.00 33.01 31.08 1kee s GLN 172 CO 0.00 0.61 0.30 0.41 -0.55 0.00 0.00 175.29 176.06 1kee n GLY 173 N 1.39 1.22 3.85 2.59 0.00 -1.26 -4.06 105.19 108.91 1kee n GLY 173 Ca -0.10 -2.05 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 1kee n GLY 173 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1kee s SER 174 N -2.26 6.38 0.68 1.61 0.01 -1.26 -4.59 113.70 114.28 1kee s SER 174 Ca 0.21 1.51 -0.14 0.00 1.31 0.00 0.00 55.95 58.84 1kee s SER 174 Cb -0.01 -2.49 0.01 0.00 0.21 0.00 0.00 66.02 63.74 1kee s SER 174 CO 0.14 -0.76 1.10 0.86 0.41 0.00 0.00 173.24 174.99 1kee s TRP 175 N -2.88 2.63 0.01 2.43 -0.00 -1.26 -4.32 118.94 115.55 1kee s TRP 175 Ca 0.57 1.55 -0.00 0.00 -0.00 0.00 0.00 56.10 58.22 1kee s TRP 175 Cb -0.11 -3.13 -0.01 0.00 -0.00 0.00 0.00 33.47 30.22 1kee s TRP 175 CO 0.42 -1.69 -0.02 0.95 -0.00 0.00 0.00 176.95 176.61 1kee s THR 176 N -2.48 0.07 0.24 5.86 -4.23 -0.56 -4.90 115.64 109.64 1kee s THR 176 Ca 0.65 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 60.57 1kee s THR 176 Cb -0.19 -0.16 0.21 0.00 1.34 0.00 0.00 72.50 73.69 1kee s THR 176 CO 0.45 -0.30 1.79 0.25 -0.54 0.00 0.00 174.62 176.27 1kee h LEU 177 N 5.25 0.58 0.39 4.79 5.85 -1.98 1.28 115.31 131.48 1kee h LEU 177 Ca -0.29 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 1kee h LEU 177 Cb 1.21 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1kee h LEU 177 CO 0.45 0.32 -0.19 0.74 -0.34 0.00 0.00 178.44 179.42 1kee h THR 178 N 0.70 0.18 0.00 1.05 2.02 -2.03 -3.36 112.91 111.48 1kee h THR 178 Ca 0.39 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.92 1kee h THR 178 Cb 0.41 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1kee h THR 178 CO -0.27 0.04 -0.88 1.23 0.37 0.00 0.00 175.52 176.01 1kee h GLY 179 N -1.09 0.00 0.00 2.16 0.00 -1.96 -3.50 103.07 98.68 1kee h GLY 179 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1kee h GLY 179 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1kee n GLY 180 N 1.23 -0.63 3.63 4.60 0.00 0.44 -4.60 105.19 109.87 1kee n GLY 180 Ca 0.01 -1.13 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1kee n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kee s LEU 181 N 0.00 3.87 0.65 0.99 1.43 -1.26 -1.49 118.68 122.87 1kee s LEU 181 Ca 0.00 1.00 -0.16 0.00 -1.03 0.00 0.00 54.13 53.94 1kee s LEU 181 Cb 0.00 -3.54 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 1kee s LEU 181 CO 0.00 -1.00 1.17 -2.16 0.23 0.00 0.00 176.35 174.58 1kee s PRO 182 N 3.94 2.68 0.77 1.29 0.04 -1.26 -4.99 135.00 137.48 1kee s PRO 182 Ca 0.49 1.65 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 1kee s PRO 182 Cb -0.13 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.57 1kee s PRO 182 CO 0.20 -1.39 1.22 -1.21 0.04 0.00 0.00 177.00 175.87 1kee s GLU 183 N -3.75 1.82 0.12 4.56 2.02 -1.26 -4.65 118.70 117.56 1kee s GLU 183 Ca 0.73 1.82 -0.30 0.00 0.02 0.00 0.00 54.97 57.23 1kee s GLU 183 Cb -0.26 -1.79 -0.07 0.00 0.10 0.00 0.00 34.13 32.11 1kee s GLU 183 CO 0.39 -2.09 1.26 0.00 0.02 0.00 0.00 175.26 174.83 1kee s ALA 184 N -2.00 3.47 0.39 5.21 0.00 -1.26 -4.61 121.76 122.96 1kee s ALA 184 Ca 0.75 0.97 -0.27 0.00 0.00 0.00 0.00 51.96 53.41 1kee s ALA 184 Cb -0.30 -3.46 -0.09 0.00 0.00 0.00 0.00 23.12 19.26 1kee s ALA 184 CO 0.48 -0.47 1.32 0.15 0.00 0.00 0.00 175.76 177.25 1kee s LYS 185 N 0.58 4.05 0.24 0.00 1.02 -0.09 -4.92 119.74 120.62 1kee s LYS 185 Ca 0.58 2.21 -0.30 0.00 0.02 0.00 0.00 55.97 58.49 1kee s LYS 185 Cb -0.33 -2.84 -0.09 0.00 -0.52 0.00 0.00 37.83 34.05 1kee s LYS 185 CO 0.32 -0.44 1.24 0.15 -0.92 0.00 0.00 175.35 175.70 1kee s LYS 186 N -2.14 4.45 0.37 1.68 3.01 -1.26 -4.71 119.74 121.15 1kee s LYS 186 Ca 0.55 2.00 0.17 0.00 -1.01 0.00 0.00 55.97 57.69 1kee s LYS 186 Cb -0.39 -3.17 1.11 0.00 -1.01 0.00 0.00 37.83 34.36 1kee s LYS 186 CO 0.51 -0.11 1.70 0.93 0.51 0.00 0.00 175.35 178.90 1kee h GLU 187 N 4.58 0.35 0.00 1.68 5.08 -1.96 0.48 114.58 124.79 1kee h GLU 187 Ca -0.46 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1kee h GLU 187 Cb 1.22 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1kee h GLU 187 CO 0.72 0.23 0.00 -0.40 -1.00 0.00 0.00 179.01 178.56 1kee n ASP 188 N -4.82 0.38 0.08 1.42 3.85 -1.26 -3.05 116.55 113.15 1kee n ASP 188 Ca 0.30 0.57 -0.06 0.00 -0.71 0.00 0.00 54.79 54.89 1kee n ASP 188 Cb 0.97 -0.66 -0.05 0.00 -1.35 0.00 0.00 41.12 40.03 1kee n ASP 188 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1kee h GLU 189 N 0.00 0.01 -5.56 0.11 5.08 -0.38 -3.44 114.58 110.38 1kee h GLU 189 Ca 0.00 -0.01 -0.62 0.00 -1.00 0.00 0.00 59.36 57.74 1kee h GLU 189 Cb 0.41 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.55 1kee h GLU 189 CO 0.00 0.91 0.21 -0.51 -1.00 0.00 0.00 179.01 178.62 1kee s LEU 190 N -6.94 4.14 0.15 1.33 1.43 -1.17 -5.00 118.68 112.62 1kee s LEU 190 Ca 0.00 0.47 -0.15 0.00 -1.03 0.00 0.00 54.13 53.42 1kee s LEU 190 Cb 0.11 -2.88 0.02 0.00 0.03 0.00 0.00 46.19 43.47 1kee s LEU 190 CO 0.81 -0.52 1.71 1.55 0.23 0.00 0.00 176.35 180.13 1kee h PRO 191 N 8.18 0.67 -6.20 1.29 0.13 -1.86 -3.44 132.00 130.78 1kee h PRO 191 Ca -0.26 -0.11 -0.48 0.00 -0.87 0.00 0.00 66.00 64.28 1kee h PRO 191 Cb 1.11 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.10 1kee h PRO 191 CO 0.82 0.59 -0.47 -0.06 -0.23 0.00 0.00 178.00 178.66 1kee s PHE 192 N -5.62 3.29 -0.21 1.56 0.40 0.67 -4.98 117.98 113.09 1kee s PHE 192 Ca -0.13 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1kee s PHE 192 Cb 0.11 -1.52 0.04 0.00 0.51 0.00 0.00 43.02 42.16 1kee s PHE 192 CO 0.76 0.45 -0.16 -1.58 0.70 0.00 0.00 175.22 175.39 1kee s HIS 193 N -2.06 2.95 0.08 0.36 5.65 -1.26 0.19 115.29 121.20 1kee s HIS 193 Ca 0.34 -1.91 0.10 0.00 0.25 0.00 0.00 55.06 53.84 1kee s HIS 193 Cb -0.08 -1.91 -0.03 0.00 -1.18 0.00 0.00 32.58 29.38 1kee s HIS 193 CO 0.27 -0.83 -0.26 0.08 -0.65 0.00 0.00 174.74 173.35 1kee s VAL 194 N 1.22 2.21 -0.23 0.89 1.01 0.13 -0.56 120.40 125.07 1kee s VAL 194 Ca -0.01 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.35 1kee s VAL 194 Cb -0.16 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 1kee s VAL 194 CO -0.10 0.24 0.07 -0.69 0.00 0.00 0.00 175.10 174.62 1kee s VAL 195 N -0.92 4.41 -0.11 2.92 1.01 -1.05 -1.64 120.40 125.02 1kee s VAL 195 Ca 0.13 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.99 1kee s VAL 195 Cb -0.10 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.25 1kee s VAL 195 CO 0.04 0.37 -0.20 0.00 0.00 0.00 0.00 175.10 175.31 1kee s ALA 196 N 1.30 1.95 -0.23 5.51 0.00 -0.34 0.25 121.76 130.20 1kee s ALA 196 Ca 0.05 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 1kee s ALA 196 Cb -0.15 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.15 1kee s ALA 196 CO 0.03 0.12 0.90 0.71 0.00 0.00 0.00 175.76 177.52 1kee s TYR 197 N 0.63 3.34 -0.72 0.00 1.51 0.21 -0.15 117.35 122.16 1kee s TYR 197 Ca -0.13 1.27 -0.23 0.00 -1.01 0.00 0.00 57.07 56.97 1kee s TYR 197 Cb -0.16 -3.12 0.07 0.00 -0.11 0.00 0.00 41.96 38.63 1kee s TYR 197 CO 0.04 -0.41 1.06 0.34 -1.11 0.00 0.00 175.55 175.47 1kee s ASP 198 N 1.27 6.24 0.00 2.29 3.68 -0.46 -2.23 116.67 127.46 1kee s ASP 198 Ca 0.38 -1.03 0.24 0.00 2.13 0.00 0.00 52.55 54.27 1kee s ASP 198 Cb -0.15 -2.45 0.39 0.00 -1.45 0.00 0.00 42.92 39.26 1kee s ASP 198 CO 0.08 -1.48 1.38 0.49 0.13 0.00 0.00 175.17 175.77 1kee n PHE 199 N 7.94 0.35 0.00 -5.34 3.72 -1.26 -3.49 117.46 119.39 1kee n PHE 199 Ca 0.02 -0.17 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1kee n PHE 199 Cb 0.47 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.01 1kee n PHE 199 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1kee n GLY 200 N 1.45 0.69 3.76 1.37 0.00 -1.21 -4.13 105.19 107.12 1kee n GLY 200 Ca 0.18 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 1kee n GLY 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 201 N 0.00 3.56 0.13 4.61 0.00 -1.24 -4.21 121.76 124.60 1kee s ALA 201 Ca 0.00 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 1kee s ALA 201 Cb 0.00 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.54 1kee s ALA 201 CO 0.00 -0.71 0.96 0.15 0.00 0.00 0.00 175.76 176.16 1kee s LYS 202 N -1.16 4.71 0.29 0.00 1.02 -1.26 -4.89 119.74 118.45 1kee s LYS 202 Ca 0.54 1.46 0.03 0.00 0.02 0.00 0.00 55.97 58.02 1kee s LYS 202 Cb -0.41 -3.36 0.66 0.00 -0.52 0.00 0.00 37.83 34.19 1kee s LYS 202 CO 0.49 0.24 1.76 0.00 -0.92 0.00 0.00 175.35 176.93 1kee h ARG 203 N 5.41 0.66 -0.89 1.68 3.08 -0.55 -2.61 114.38 121.16 1kee h ARG 203 Ca -0.43 -0.04 0.15 0.00 0.07 0.00 0.00 59.98 59.73 1kee h ARG 203 Cb 1.21 -0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.04 1kee h ARG 203 CO 0.71 0.44 0.57 -0.97 -1.07 0.00 0.00 179.97 179.65 1kee h ASN 204 N 0.68 0.61 -0.09 7.04 -1.24 -1.92 -0.66 115.58 119.99 1kee h ASN 204 Ca 0.53 0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.58 1kee h ASN 204 Cb 0.82 -0.08 -0.00 0.00 0.73 0.00 0.00 38.32 39.79 1kee h ASN 204 CO -0.39 0.30 0.05 0.40 -1.29 0.00 0.00 177.43 176.50 1kee h ILE 205 N 0.64 1.09 -0.59 2.57 2.04 -1.79 0.93 117.51 122.40 1kee h ILE 205 Ca 0.45 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 66.06 1kee h ILE 205 Cb 0.79 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 1kee h ILE 205 CO -0.20 0.08 0.32 -0.07 0.00 0.00 0.00 178.15 178.27 1kee h LEU 206 N 0.06 0.74 -0.44 1.44 3.38 -1.39 -1.77 115.31 117.33 1kee h LEU 206 Ca 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1kee h LEU 206 Cb 0.08 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1kee h LEU 206 CO -0.01 0.62 0.25 0.03 0.09 0.00 0.00 178.44 179.43 1kee h ARG 207 N 0.80 0.61 0.00 1.13 3.08 -0.91 -2.01 114.38 117.07 1kee h ARG 207 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1kee h ARG 207 Cb 0.05 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 29.98 1kee h ARG 207 CO -0.03 0.47 0.00 0.52 -1.07 0.00 0.00 179.97 179.86 1kee h MET 208 N 0.58 0.00 0.07 0.04 2.86 -0.59 -0.79 114.93 117.11 1kee h MET 208 Ca 0.16 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.63 1kee h MET 208 Cb 0.03 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.71 1kee h MET 208 CO -0.03 0.00 -0.69 -0.07 1.06 0.00 0.00 176.91 177.18 1kee h LEU 209 N 0.00 0.49 -0.99 1.22 3.38 -0.68 -3.00 115.31 115.73 1kee h LEU 209 Ca 0.00 -0.86 -0.06 0.00 0.09 0.00 0.00 57.88 57.05 1kee h LEU 209 Cb 0.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1kee h LEU 209 CO 0.00 1.30 0.06 0.58 0.09 0.00 0.00 178.44 180.47 1kee h VAL 210 N -0.25 1.23 -0.58 1.22 2.07 -1.21 -1.38 116.25 117.35 1kee h VAL 210 Ca -0.11 -0.90 0.13 0.00 0.82 0.00 0.00 66.70 66.64 1kee h VAL 210 Cb 1.47 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 1kee h VAL 210 CO 0.13 0.32 0.40 0.44 0.02 0.00 0.00 177.57 178.89 1kee h ASP 211 N 0.76 0.22 -0.28 0.57 3.32 -1.12 0.27 116.42 120.14 1kee h ASP 211 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1kee h ASP 211 Cb 0.37 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.88 1kee h ASP 211 CO 0.01 0.12 0.00 0.54 -1.72 0.00 0.00 179.24 178.19 1kee n ARG 212 N -4.44 1.85 -0.73 3.56 1.74 -0.59 -4.89 116.66 113.15 1kee n ARG 212 Ca 0.10 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.08 1kee n ARG 212 Cb 0.49 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.59 1kee n ARG 212 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kee n GLY 213 N 0.84 0.96 3.40 -0.13 0.00 0.95 -4.94 105.19 106.26 1kee n GLY 213 Ca 0.10 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1kee n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ARG 215 N -0.11 4.21 0.17 0.00 3.52 0.13 -3.58 118.95 123.29 1kee s ARG 215 Ca -0.02 0.19 0.10 0.00 -0.13 0.00 0.00 55.73 55.87 1kee s ARG 215 Cb -0.14 -3.50 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1kee s ARG 215 CO 0.04 0.05 -0.17 -0.51 -0.81 0.00 0.00 175.30 173.89 1kee s LEU 216 N 1.03 2.70 -0.27 -0.88 1.43 -0.39 0.18 118.68 122.49 1kee s LEU 216 Ca 0.19 -0.67 0.03 0.00 -1.03 0.00 0.00 54.13 52.64 1kee s LEU 216 Cb -0.14 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.69 1kee s LEU 216 CO 0.07 0.13 -0.09 -0.89 0.23 0.00 0.00 176.35 175.80 1kee s THR 217 N -1.53 2.13 -0.20 5.49 2.01 -0.65 -0.82 115.64 122.07 1kee s THR 217 Ca 0.21 -1.68 -0.22 0.00 0.31 0.00 0.00 61.69 60.31 1kee s THR 217 Cb -0.09 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 1kee s THR 217 CO 0.12 -0.10 0.70 -0.63 -0.69 0.00 0.00 174.62 174.02 1kee s ILE 218 N 1.10 4.97 0.08 1.82 1.09 0.25 -1.20 121.20 129.31 1kee s ILE 218 Ca -0.07 1.32 0.09 0.00 -1.10 0.00 0.00 60.65 60.90 1kee s ILE 218 Cb -0.20 -4.01 -0.03 0.00 -1.06 0.00 0.00 42.46 37.16 1kee s ILE 218 CO -0.05 0.07 -0.24 0.68 -0.10 0.00 0.00 174.94 175.29 1kee s VAL 219 N 2.10 2.39 0.81 2.92 -7.23 0.79 -1.77 120.40 120.41 1kee s VAL 219 Ca 0.31 -1.50 -0.16 0.00 -1.81 0.00 0.00 61.98 58.83 1kee s VAL 219 Cb -0.16 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1kee s VAL 219 CO 0.10 0.23 0.19 -2.65 -0.31 0.00 0.00 175.10 172.66 1kee n PRO 220 N 1.30 0.06 0.06 4.82 -0.02 -1.26 -1.35 135.00 138.61 1kee n PRO 220 Ca -0.17 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.25 1kee n PRO 220 Cb 0.52 -1.60 -0.05 0.00 -0.02 0.00 0.00 33.50 32.36 1kee n PRO 220 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kee h ALA 221 N -0.75 -0.15 0.00 3.55 0.00 -1.84 -2.66 119.26 117.41 1kee h ALA 221 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1kee h ALA 221 Cb 1.33 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1kee h ALA 221 CO 0.37 -0.62 0.00 1.04 0.00 0.00 0.00 179.25 180.04 1kee n GLN 222 N -5.25 0.74 -1.73 0.00 3.00 -1.26 -4.60 117.38 108.28 1kee n GLN 222 Ca -0.06 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.53 1kee n GLN 222 Cb 0.17 -1.09 0.02 0.00 0.00 0.00 0.00 30.24 29.34 1kee n GLN 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 1kee n THR 223 N -0.59 2.69 -2.87 5.09 -1.04 -1.00 -4.96 114.28 111.60 1kee n THR 223 Ca 0.03 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.16 1kee n THR 223 Cb 0.02 -1.69 -0.06 0.00 -1.82 0.00 0.00 70.33 66.77 1kee n THR 223 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1kee s SER 224 N -0.51 7.39 0.46 8.00 1.04 -1.26 -4.88 113.70 123.93 1kee s SER 224 Ca 0.61 1.76 0.20 0.00 0.48 0.00 0.00 55.95 59.00 1kee s SER 224 Cb -0.48 -2.54 1.17 0.00 0.10 0.00 0.00 66.02 64.27 1kee s SER 224 CO 0.58 0.07 1.91 0.00 0.98 0.00 0.00 173.24 176.78 1kee h ALA 225 N 3.71 2.29 -0.12 5.32 0.00 -1.93 -1.66 119.26 126.88 1kee h ALA 225 Ca -0.47 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.36 1kee h ALA 225 Cb 1.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1kee h ALA 225 CO 0.66 -0.52 -0.23 0.93 0.00 0.00 0.00 179.25 180.09 1kee h GLU 226 N 0.29 0.37 0.00 0.00 3.07 -1.95 -0.74 114.58 115.61 1kee h GLU 226 Ca 0.38 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.36 58.99 1kee h GLU 226 Cb 1.06 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1kee h GLU 226 CO -0.10 0.83 -0.08 -0.44 -1.40 0.00 0.00 179.01 177.83 1kee h ASP 227 N -0.05 0.00 0.01 1.42 5.19 -1.71 -3.07 116.42 118.22 1kee h ASP 227 Ca 0.01 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.42 1kee h ASP 227 Cb 0.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.33 1kee h ASP 227 CO 0.05 0.08 -0.01 0.58 -3.12 0.00 0.00 179.24 176.82 1kee h VAL 228 N 0.00 0.00 -0.04 -1.35 2.07 -1.43 -3.36 116.25 112.14 1kee h VAL 228 Ca -0.00 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1kee h VAL 228 Cb 0.18 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1kee h VAL 228 CO 0.01 0.00 0.61 -0.07 0.02 0.00 0.00 177.57 178.14 1kee h LEU 229 N -0.76 0.00 -0.60 2.57 3.38 -1.13 1.35 115.31 120.12 1kee h LEU 229 Ca -0.00 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 1kee h LEU 229 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1kee h LEU 229 CO 0.00 0.00 -0.63 0.11 0.09 0.00 0.00 178.44 178.01 1kee h LYS 230 N 0.00 0.27 0.00 1.13 1.57 -1.67 -3.12 116.57 114.75 1kee h LYS 230 Ca 0.02 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.61 1kee h LYS 230 Cb 1.23 0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.57 1kee h LYS 230 CO -0.00 0.81 0.00 -1.33 -0.57 0.00 0.00 179.45 178.36 1kee n MET 231 N -3.86 0.06 -3.37 3.15 0.00 0.46 -4.93 117.12 108.64 1kee n MET 231 Ca -0.03 0.13 -0.15 0.00 0.00 0.00 0.00 57.70 57.65 1kee n MET 231 Cb 0.64 -1.50 0.03 0.00 0.00 0.00 0.00 33.22 32.38 1kee n MET 231 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1kee n ASN 232 N -1.46 -6.50 -4.79 7.83 5.03 -1.18 -4.95 115.26 109.23 1kee n ASN 232 Ca 0.06 -0.58 -0.35 0.00 0.87 0.00 0.00 54.58 54.58 1kee n ASN 232 Cb 0.23 -4.27 -0.04 0.00 -1.02 0.00 0.00 39.78 34.69 1kee n ASN 232 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 1kee s PRO 233 N -4.34 3.99 0.24 3.52 0.04 -1.26 -4.97 135.00 132.21 1kee s PRO 233 Ca 0.22 1.40 0.13 0.00 0.04 0.00 0.00 61.00 62.79 1kee s PRO 233 Cb -0.06 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1kee s PRO 233 CO 0.80 -0.28 1.41 -0.44 0.04 0.00 0.00 177.00 178.53 1kee h ASP 234 N 1.97 0.00 -5.48 6.66 3.32 -1.20 -3.48 116.42 118.22 1kee h ASP 234 Ca -0.49 0.00 0.23 0.00 0.02 0.00 0.00 57.03 56.79 1kee h ASP 234 Cb 1.21 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.67 1kee h ASP 234 CO 0.60 0.63 0.60 -0.83 -1.72 0.00 0.00 179.24 178.53 1kee s GLY 235 N -4.53 -0.27 -0.02 2.75 0.00 -1.25 -4.34 107.32 99.66 1kee s GLY 235 Ca 0.03 0.27 0.06 0.00 0.00 0.00 0.00 44.72 45.08 1kee s GLY 235 CO 0.76 0.22 -0.20 -0.42 0.00 0.00 0.00 173.10 173.47 1kee s ILE 236 N -2.95 1.56 -0.05 0.90 1.01 0.92 -2.54 121.20 120.06 1kee s ILE 236 Ca 0.14 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1kee s ILE 236 Cb 0.01 -1.31 -0.01 0.00 0.01 0.00 0.00 42.46 41.16 1kee s ILE 236 CO 0.01 0.44 -0.24 0.12 0.00 0.00 0.00 174.94 175.27 1kee s PHE 237 N -0.34 2.32 -0.39 3.97 5.36 0.70 -2.31 117.98 127.28 1kee s PHE 237 Ca 0.05 -0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 55.35 1kee s PHE 237 Cb -0.09 -1.52 0.11 0.00 -0.34 0.00 0.00 43.02 41.18 1kee s PHE 237 CO 0.00 -0.19 0.16 -0.51 -1.46 0.00 0.00 175.22 173.23 1kee s LEU 238 N -0.20 5.10 1.23 6.12 1.43 -0.60 0.65 118.68 132.41 1kee s LEU 238 Ca -0.02 -2.04 -0.15 0.00 -1.03 0.00 0.00 54.13 50.89 1kee s LEU 238 Cb -0.13 -1.78 0.30 0.00 0.03 0.00 0.00 46.19 44.62 1kee s LEU 238 CO 0.03 -0.50 0.92 -1.54 0.23 0.00 0.00 176.35 175.49 1kee n SER 239 N 4.51 -2.23 -4.32 2.29 3.41 -0.95 -1.86 113.62 114.47 1kee n SER 239 Ca -0.01 -0.29 -0.29 0.00 -0.26 0.00 0.00 58.87 58.01 1kee n SER 239 Cb 0.42 -1.19 0.18 0.00 -0.26 0.00 0.00 64.21 63.35 1kee n SER 239 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1kee s ASN 240 N -2.41 2.82 0.00 4.04 4.22 -1.12 -0.88 114.94 121.61 1kee s ASN 240 Ca 0.68 0.62 0.00 0.00 -2.14 0.00 0.00 52.86 52.02 1kee s ASN 240 Cb -0.23 -0.92 0.00 0.00 1.28 0.00 0.00 41.25 41.38 1kee s ASN 240 CO 0.65 -2.95 0.00 0.61 -2.04 0.00 0.00 177.10 173.37 1kee n GLY 241 N -2.55 1.82 3.64 0.45 0.00 -1.26 -3.31 105.19 103.99 1kee n GLY 241 Ca 0.11 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 45.06 1kee n GLY 241 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kee s PRO 242 N -2.00 0.01 2.03 1.61 0.04 -1.26 -4.64 135.00 130.78 1kee s PRO 242 Ca 0.00 0.50 0.00 0.00 0.04 0.00 0.00 61.00 61.54 1kee s PRO 242 Cb 0.00 -1.69 0.00 0.00 0.04 0.00 0.00 34.50 32.85 1kee s PRO 242 CO 0.00 -3.01 0.00 0.41 0.04 0.00 0.00 177.00 174.44 1kee n GLY 243 N -0.77 -0.11 3.72 0.56 0.00 -1.26 -3.87 105.19 103.46 1kee n GLY 243 Ca 0.05 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1kee n GLY 243 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1kee s ASP 244 N -4.00 7.00 0.15 1.61 3.68 0.13 -4.88 116.67 120.36 1kee s ASP 244 Ca 0.00 2.18 0.01 0.00 2.13 0.00 0.00 52.55 56.87 1kee s ASP 244 Cb 0.00 -2.59 -0.06 0.00 -1.45 0.00 0.00 42.92 38.81 1kee s ASP 244 CO 0.00 -0.50 1.33 1.55 0.13 0.00 0.00 175.17 177.69 1kee h PRO 245 N 6.27 0.23 -0.75 4.34 0.13 -1.86 -3.37 132.00 136.99 1kee h PRO 245 Ca -0.43 -0.27 0.17 0.00 -0.87 0.00 0.00 66.00 64.60 1kee h PRO 245 Cb 1.21 0.08 -0.12 0.00 0.13 0.00 0.00 31.00 32.30 1kee h PRO 245 CO 0.80 1.01 0.06 0.00 -0.23 0.00 0.00 178.00 179.65 1kee h ALA 246 N 0.89 0.85 0.00 -0.56 0.00 -1.94 -1.71 119.26 116.79 1kee h ALA 246 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1kee h ALA 246 Cb 1.59 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.73 1kee h ALA 246 CO 0.15 -0.41 0.00 -0.35 0.00 0.00 0.00 179.25 178.64 1kee n PRO 247 N -5.29 0.77 -1.90 0.00 -0.04 -1.26 -4.39 135.00 122.90 1kee n PRO 247 Ca 0.14 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.19 1kee n PRO 247 Cb 0.48 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 32.47 1kee n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee h ASP 249 N 5.42 -0.88 -0.56 0.00 -0.00 -1.86 -2.56 116.42 115.99 1kee h ASP 249 Ca 0.60 0.18 0.07 0.00 -0.00 0.00 0.00 57.03 57.89 1kee h ASP 249 Cb 0.49 0.45 -0.10 0.00 -0.00 0.00 0.00 39.33 40.17 1kee h ASP 249 CO 1.70 -0.27 -0.49 0.10 -0.00 0.00 0.00 179.24 180.27 1kee h TYR 250 N -0.17 -1.49 -0.20 4.15 -0.00 -1.96 -0.55 116.97 116.76 1kee h TYR 250 Ca 0.21 0.09 -0.11 0.00 0.00 0.00 0.00 58.73 58.91 1kee h TYR 250 Cb 0.49 0.73 -0.01 0.00 0.00 0.00 0.00 36.73 37.94 1kee h TYR 250 CO -0.51 -0.44 -0.36 0.00 -0.00 0.00 0.00 178.16 176.85 1kee h ALA 251 N 0.38 1.02 -0.49 0.10 0.00 -1.79 -1.69 119.26 116.80 1kee h ALA 251 Ca 0.14 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1kee h ALA 251 Cb 0.56 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1kee h ALA 251 CO -0.68 0.60 0.31 0.82 0.00 0.00 0.00 179.25 180.29 1kee h ILE 252 N 0.36 1.14 0.21 0.00 2.04 -0.93 0.27 117.51 120.60 1kee h ILE 252 Ca 0.04 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1kee h ILE 252 Cb 0.80 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1kee h ILE 252 CO 0.06 0.14 -0.14 0.74 0.00 0.00 0.00 178.15 178.96 1kee h THR 253 N 0.66 0.70 -0.12 -0.27 2.02 -0.94 -2.04 112.91 112.93 1kee h THR 253 Ca 0.18 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1kee h THR 253 Cb -0.03 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 67.02 1kee h THR 253 CO -0.03 0.00 -0.48 0.00 0.37 0.00 0.00 175.52 175.38 1kee h ALA 254 N 0.44 -0.73 -0.82 6.16 0.00 -0.79 -1.58 119.26 121.93 1kee h ALA 254 Ca -0.02 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1kee h ALA 254 Cb 0.29 0.88 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1kee h ALA 254 CO 0.01 -1.00 0.33 0.82 0.00 0.00 0.00 179.25 179.41 1kee h ILE 255 N -0.55 0.58 -0.67 0.00 2.04 -0.36 0.47 117.51 119.02 1kee h ILE 255 Ca 0.05 -0.15 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1kee h ILE 255 Cb 0.66 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.81 1kee h ILE 255 CO -0.41 0.08 0.44 1.56 0.00 0.00 0.00 178.15 179.82 1kee h GLN 256 N 0.43 0.60 -0.16 2.37 4.20 -0.56 0.45 115.11 122.44 1kee h GLN 256 Ca 0.47 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 59.11 1kee h GLN 256 Cb 0.80 -0.14 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 1kee h GLN 256 CO -0.46 0.40 -0.04 0.87 -0.67 0.00 0.00 178.83 178.92 1kee h LYS 257 N 0.62 0.32 -0.50 1.46 6.56 0.57 -2.70 116.57 122.90 1kee h LYS 257 Ca 0.29 -0.12 0.05 0.00 -1.06 0.00 0.00 60.65 59.81 1kee h LYS 257 Cb 0.35 -0.02 -0.03 0.00 -0.57 0.00 0.00 32.23 31.97 1kee h LYS 257 CO -0.09 0.60 0.33 0.74 -2.06 0.00 0.00 179.45 178.97 1kee h PHE 258 N 0.02 0.48 0.00 -1.35 0.04 0.55 -0.88 116.94 115.79 1kee h PHE 258 Ca 0.04 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.82 1kee h PHE 258 Cb 0.48 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1kee h PHE 258 CO 0.05 0.27 0.00 1.28 -0.60 0.00 0.00 178.31 179.31 1kee n LEU 259 N -4.48 0.00 -0.01 1.54 4.77 0.14 -2.01 117.00 116.96 1kee n LEU 259 Ca 0.06 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 1kee n LEU 259 Cb 0.21 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.14 1kee n LEU 259 CO 0.35 0.00 -0.63 -0.62 -1.33 0.00 0.00 177.39 175.15 1kee n GLU 260 N -0.95 0.56 -0.19 3.23 1.02 -0.34 -4.95 120.64 119.02 1kee n GLU 260 Ca 0.13 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1kee n GLU 260 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 1kee n GLU 260 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1kee n THR 261 N -2.12 0.00 0.03 2.62 -2.24 -0.85 -5.02 114.28 106.70 1kee n THR 261 Ca -0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.78 1kee n THR 261 Cb 0.52 -1.74 0.06 0.00 -2.10 0.00 0.00 70.33 67.07 1kee n THR 261 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1kee n ASP 262 N -2.15 2.14 -4.77 3.42 9.92 -1.26 -4.95 116.55 118.90 1kee n ASP 262 Ca 0.00 -1.74 -0.41 0.00 -0.53 0.00 0.00 54.79 52.11 1kee n ASP 262 Cb 0.00 -0.08 -0.02 0.00 -0.64 0.00 0.00 41.12 40.38 1kee n ASP 262 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1kee s ILE 263 N -0.82 2.51 0.17 0.53 1.01 -1.26 -4.82 121.20 118.52 1kee s ILE 263 Ca 0.10 0.48 -0.30 0.00 0.00 0.00 0.00 60.65 60.94 1kee s ILE 263 Cb 0.06 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.15 1kee s ILE 263 CO 0.08 0.11 1.10 -2.84 0.00 0.00 0.00 174.94 173.38 1kee s PRO 264 N -1.49 4.59 -0.09 2.79 0.02 -1.26 -4.68 135.00 134.88 1kee s PRO 264 Ca 0.53 1.71 0.03 0.00 0.02 0.00 0.00 61.00 63.29 1kee s PRO 264 Cb -0.42 -3.29 0.01 0.00 0.02 0.00 0.00 34.50 30.82 1kee s PRO 264 CO 0.53 0.06 -0.19 0.08 -0.33 0.00 0.00 177.00 177.15 1kee s VAL 265 N -0.16 1.72 -0.06 3.83 1.01 0.17 -0.05 120.40 126.86 1kee s VAL 265 Ca 0.50 -0.81 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1kee s VAL 265 Cb -0.29 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1kee s VAL 265 CO 0.34 0.49 -0.02 0.12 0.00 0.00 0.00 175.10 176.03 1kee s PHE 266 N 0.56 0.65 0.05 5.22 5.36 -0.98 -1.89 117.98 126.95 1kee s PHE 266 Ca -0.15 -0.16 0.09 0.00 -0.96 0.00 0.00 56.93 55.75 1kee s PHE 266 Cb -0.17 -0.70 -0.03 0.00 -0.34 0.00 0.00 43.02 41.79 1kee s PHE 266 CO 0.05 -0.25 -0.25 0.20 -1.46 0.00 0.00 175.22 173.51 1kee s GLY 267 N 1.44 1.36 0.00 13.12 0.00 -0.78 -1.56 107.32 120.91 1kee s GLY 267 Ca -0.03 -1.24 0.00 0.00 0.00 0.00 0.00 44.72 43.45 1kee s GLY 267 CO -0.03 -1.14 0.72 1.39 0.00 0.00 0.00 173.10 174.04 1kee n ILE 268 N 1.75 0.49 0.00 0.90 5.41 -0.77 -0.92 119.36 126.21 1kee n ILE 268 Ca -0.17 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 62.90 1kee n ILE 268 Cb 0.52 0.81 0.00 0.00 -0.71 0.00 0.00 39.64 40.26 1kee n ILE 268 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 1kee n LEU 270 N -0.24 0.00 0.15 1.39 7.94 -1.26 -2.77 117.00 122.20 1kee n LEU 270 Ca 0.00 0.00 0.18 0.00 -1.11 0.00 0.00 56.01 55.08 1kee n LEU 270 Cb 0.17 0.00 0.78 0.00 0.53 0.00 0.00 43.42 44.91 1kee n LEU 270 CO 0.00 0.00 1.16 1.23 -1.11 0.00 0.00 177.39 178.67 1kee h GLY 271 N 0.00 0.00 1.41 -3.96 0.00 -1.09 0.16 103.07 99.58 1kee h GLY 271 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.09 1kee h GLY 271 CO 0.00 0.00 -0.95 0.84 0.00 0.00 0.00 176.54 176.43 1kee h HIS 272 N 0.00 0.79 -0.37 5.60 -0.00 -1.73 -1.72 115.15 117.71 1kee h HIS 272 Ca 0.14 -0.41 -0.05 0.00 -0.00 0.00 0.00 60.37 60.04 1kee h HIS 272 Cb 0.72 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.02 1kee h HIS 272 CO 0.00 1.24 0.03 1.96 -0.00 0.00 0.00 177.93 181.15 1kee h GLN 273 N 0.31 0.64 -0.23 5.26 4.20 -1.16 -1.88 115.11 122.26 1kee h GLN 273 Ca -0.09 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1kee h GLN 273 Cb 1.58 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 29.29 1kee h GLN 273 CO 0.17 0.73 0.14 -0.07 -0.67 0.00 0.00 178.83 179.14 1kee h LEU 274 N 0.47 0.28 -1.98 1.46 3.38 -0.83 -0.84 115.31 117.25 1kee h LEU 274 Ca 0.11 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.15 1kee h LEU 274 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1kee h LEU 274 CO 0.01 0.24 0.29 0.25 0.09 0.00 0.00 178.44 179.33 1kee h LEU 275 N 0.29 0.02 0.08 1.67 5.85 -1.09 0.51 115.31 122.65 1kee h LEU 275 Ca 0.08 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.62 1kee h LEU 275 Cb 0.01 -0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.06 1kee h LEU 275 CO -0.02 0.01 -0.79 0.00 -0.34 0.00 0.00 178.44 177.30 1kee h ALA 276 N 1.79 -0.02 -0.38 1.25 0.00 -0.48 -2.40 119.26 119.03 1kee h ALA 276 Ca 0.20 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1kee h ALA 276 Cb 0.75 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1kee h ALA 276 CO -0.01 0.41 0.21 -0.07 0.00 0.00 0.00 179.25 179.79 1kee h LEU 277 N -0.17 0.47 -2.12 0.00 3.38 -0.33 0.72 115.31 117.26 1kee h LEU 277 Ca -0.12 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.82 1kee h LEU 277 Cb 1.55 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.18 1kee h LEU 277 CO 0.15 0.42 0.15 0.00 0.09 0.00 0.00 178.44 179.25 1kee h ALA 278 N 1.07 2.02 -0.00 1.53 0.00 -0.98 -0.39 119.26 122.52 1kee h ALA 278 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1kee h ALA 278 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1kee h ALA 278 CO -0.02 -0.25 -0.34 0.43 0.00 0.00 0.00 179.25 179.07 1kee n SER 279 N -4.22 0.35 0.00 0.00 7.64 -0.74 -4.76 113.62 111.88 1kee n SER 279 Ca 0.01 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1kee n SER 279 Cb 0.28 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1kee n SER 279 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kee n GLY 280 N 1.50 0.99 2.25 0.23 0.00 -0.15 -4.73 105.19 105.28 1kee n GLY 280 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1kee n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee n ALA 281 N -0.65 0.30 -2.50 4.61 0.00 0.17 -4.69 120.51 117.75 1kee n ALA 281 Ca 0.00 -1.16 -0.22 0.00 0.00 0.00 0.00 53.44 52.06 1kee n ALA 281 Cb 0.00 0.23 -0.12 0.00 0.00 0.00 0.00 19.45 19.56 1kee n ALA 281 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kee s LYS 282 N -3.83 1.17 0.25 0.00 1.02 -1.26 -4.26 119.74 112.83 1kee s LYS 282 Ca 0.37 -1.29 0.09 0.00 0.02 0.00 0.00 55.97 55.17 1kee s LYS 282 Cb -0.02 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.97 1kee s LYS 282 CO 0.25 0.27 -0.01 0.95 -0.92 0.00 0.00 175.35 175.88 1kee s THR 283 N -1.74 3.46 0.09 2.17 -4.23 -1.26 -0.32 115.64 113.81 1kee s THR 283 Ca 0.11 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1kee s THR 283 Cb -0.07 -2.82 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 1kee s THR 283 CO 0.05 -0.31 -0.05 0.68 -0.54 0.00 0.00 174.62 174.45 1kee s VAL 284 N -2.18 0.52 -0.20 2.29 -7.23 0.21 -4.85 120.40 108.96 1kee s VAL 284 Ca 0.30 -1.90 -0.13 0.00 -1.81 0.00 0.00 61.98 58.45 1kee s VAL 284 Cb -0.07 -1.66 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1kee s VAL 284 CO 0.19 -0.89 0.26 -0.75 -0.31 0.00 0.00 175.10 173.61 1kee s LYS 285 N -3.87 4.17 0.76 4.82 2.20 -1.26 0.16 119.74 126.71 1kee s LYS 285 Ca 0.11 -0.02 -0.11 0.00 -0.36 0.00 0.00 55.97 55.59 1kee s LYS 285 Cb 0.06 -3.49 0.05 0.00 -1.51 0.00 0.00 37.83 32.94 1kee s LYS 285 CO -0.06 0.12 1.10 -1.64 -0.36 0.00 0.00 175.35 174.51 1kee s MET 286 N 0.86 2.29 0.10 4.03 -1.94 0.46 -4.92 119.30 120.18 1kee s MET 286 Ca 0.14 1.25 -0.29 0.00 -1.71 0.00 0.00 55.69 55.07 1kee s MET 286 Cb -0.13 -1.90 -0.13 0.00 2.01 0.00 0.00 34.83 34.68 1kee s MET 286 CO 0.04 -1.63 1.63 -0.22 -0.01 0.00 0.00 175.02 174.84 1kee h LYS 287 N -0.92 -0.60 0.00 2.03 3.64 -1.97 -3.39 116.57 115.35 1kee h LYS 287 Ca -0.44 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1kee h LYS 287 Cb 1.24 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1kee h LYS 287 CO 0.51 -0.40 -0.09 1.97 -2.27 0.00 0.00 179.45 179.17 1kee n PHE 288 N -5.41 0.00 -3.69 1.91 1.16 -1.26 -1.00 117.46 109.17 1kee n PHE 288 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.49 1kee n PHE 288 Cb 0.32 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.19 1kee n PHE 288 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1kee n GLY 289 N 0.57 -1.77 2.82 4.97 0.00 -1.26 -4.85 105.19 105.67 1kee n GLY 289 Ca 0.00 -1.41 -0.29 0.00 0.00 0.00 0.00 46.02 44.32 1kee n GLY 289 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kee s HIS 290 N 0.00 1.65 -0.24 1.61 0.09 0.61 -4.99 115.29 114.02 1kee s HIS 290 Ca 0.00 -1.31 -0.04 0.00 -0.00 0.00 0.00 55.06 53.71 1kee s HIS 290 Cb 0.00 -1.32 0.08 0.00 -0.00 0.00 0.00 32.58 31.34 1kee s HIS 290 CO 0.00 -0.70 0.10 -1.01 -0.00 0.00 0.00 174.74 173.13 1kee s HIS 291 N 1.65 0.57 0.00 1.40 3.76 -1.26 -1.41 115.29 120.00 1kee s HIS 291 Ca -0.02 -0.82 0.00 0.00 -0.15 0.00 0.00 55.06 54.08 1kee s HIS 291 Cb -0.18 -0.96 0.00 0.00 1.11 0.00 0.00 32.58 32.55 1kee s HIS 291 CO -0.09 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 173.51 1kee n GLY 292 N 5.17 -0.70 1.00 -2.22 0.00 -0.93 -1.98 105.19 105.53 1kee n GLY 292 Ca -0.06 -1.12 0.02 0.00 0.00 0.00 0.00 46.02 44.86 1kee n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 293 N -0.43 4.33 0.30 -0.02 0.00 -1.26 -0.13 105.19 107.98 1kee n GLY 293 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 46.02 44.71 1kee n GLY 293 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1kee n ASN 294 N -0.73 0.94 -4.64 1.61 6.94 -1.20 -4.47 115.26 113.70 1kee n ASN 294 Ca 0.19 -2.36 -0.43 0.00 -0.02 0.00 0.00 54.58 51.96 1kee n ASN 294 Cb 0.81 -0.27 -0.02 0.00 -2.36 0.00 0.00 39.78 37.94 1kee n ASN 294 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1kee s HIS 295 N -1.10 3.09 0.19 -2.53 2.46 -1.06 -4.75 115.29 111.60 1kee s HIS 295 Ca 0.12 1.15 -0.30 0.00 0.47 0.00 0.00 55.06 56.50 1kee s HIS 295 Cb 0.10 -3.72 -0.08 0.00 -0.13 0.00 0.00 32.58 28.75 1kee s HIS 295 CO 0.01 -0.89 1.07 -1.25 -2.47 0.00 0.00 174.74 171.21 1kee s PRO 296 N 3.71 4.64 -0.02 2.88 0.04 -1.26 0.04 135.00 145.03 1kee s PRO 296 Ca 0.47 1.68 0.01 0.00 0.04 0.00 0.00 61.00 63.20 1kee s PRO 296 Cb -0.13 -3.27 0.02 0.00 0.04 0.00 0.00 34.50 31.16 1kee s PRO 296 CO 0.16 0.16 -0.01 0.08 0.04 0.00 0.00 177.00 177.42 1kee s VAL 297 N -0.46 0.24 -0.15 -0.36 1.01 0.12 -1.14 120.40 119.65 1kee s VAL 297 Ca 0.47 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.38 1kee s VAL 297 Cb -0.29 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 35.75 1kee s VAL 297 CO 0.35 0.14 0.11 -0.75 0.00 0.00 0.00 175.10 174.95 1kee s LYS 298 N 0.73 3.73 -0.83 2.72 2.20 0.08 -0.73 119.74 127.64 1kee s LYS 298 Ca -0.08 -0.22 -0.21 0.00 -0.36 0.00 0.00 55.97 55.10 1kee s LYS 298 Cb -0.11 -3.23 0.09 0.00 -1.51 0.00 0.00 37.83 33.07 1kee s LYS 298 CO -0.01 0.53 1.13 0.34 -0.36 0.00 0.00 175.35 176.98 1kee s ASP 299 N -0.32 6.41 0.52 1.43 3.68 0.26 -1.79 116.67 126.86 1kee s ASP 299 Ca 0.10 -1.47 0.23 0.00 2.13 0.00 0.00 52.55 53.55 1kee s ASP 299 Cb -0.12 -2.44 1.35 0.00 -1.45 0.00 0.00 42.92 40.26 1kee s ASP 299 CO 0.01 -1.32 2.01 -0.37 0.13 0.00 0.00 175.17 175.63 1kee h VAL 300 N 6.05 0.78 -0.46 1.11 -1.51 -1.62 1.00 116.25 121.60 1kee h VAL 300 Ca -0.03 -0.01 -0.08 0.00 -1.23 0.00 0.00 66.70 65.35 1kee h VAL 300 Cb 1.04 0.74 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 1kee h VAL 300 CO 1.20 0.01 -0.04 -0.33 -1.23 0.00 0.00 177.57 177.17 1kee h GLU 301 N 0.03 0.84 0.00 5.19 5.08 -1.90 -3.13 114.58 120.69 1kee h GLU 301 Ca 0.22 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1kee h GLU 301 Cb 0.85 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1kee h GLU 301 CO -0.01 0.91 -1.32 1.63 -1.00 0.00 0.00 179.01 179.22 1kee n LYS 302 N -4.32 0.33 -3.37 2.33 5.02 -0.70 -4.98 118.16 112.47 1kee n LYS 302 Ca 0.00 -0.06 -0.17 0.00 -2.02 0.00 0.00 58.31 56.06 1kee n LYS 302 Cb 0.34 -1.55 0.08 0.00 -0.02 0.00 0.00 35.03 33.88 1kee n LYS 302 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1kee n ASN 303 N -1.94 -2.34 -4.19 4.39 5.15 0.34 -5.02 115.26 111.65 1kee n ASN 303 Ca 0.01 -0.58 -0.21 0.00 -0.60 0.00 0.00 54.58 53.19 1kee n ASN 303 Cb 0.45 -4.87 -0.13 0.00 -0.53 0.00 0.00 39.78 34.70 1kee n ASN 303 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1kee s VAL 304 N -3.34 1.29 0.06 3.44 -7.23 -1.10 -4.97 120.40 108.56 1kee s VAL 304 Ca 0.04 -1.18 0.02 0.00 -1.81 0.00 0.00 61.98 59.06 1kee s VAL 304 Cb -0.02 -1.18 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 1kee s VAL 304 CO 0.69 -0.02 0.09 -0.69 -0.31 0.00 0.00 175.10 174.86 1kee s VAL 305 N -0.98 4.65 0.03 1.32 1.01 -1.26 -0.58 120.40 124.60 1kee s VAL 305 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.38 1kee s VAL 305 Cb -0.09 -3.22 -0.02 0.00 0.00 0.00 0.00 36.38 33.05 1kee s VAL 305 CO 0.02 0.17 -0.10 0.00 0.00 0.00 0.00 175.10 175.19 1kee s MET 306 N -2.27 0.68 -0.19 2.72 0.23 0.09 -4.95 119.30 115.60 1kee s MET 306 Ca 0.29 -0.64 -0.17 0.00 -1.03 0.00 0.00 55.69 54.14 1kee s MET 306 Cb -0.12 -0.60 -0.04 0.00 -1.53 0.00 0.00 34.83 32.54 1kee s MET 306 CO 0.21 0.14 0.45 0.42 -2.03 0.00 0.00 175.02 174.22 1kee s ILE 307 N -0.88 5.16 0.19 3.16 -1.09 -1.26 -0.71 121.20 125.77 1kee s ILE 307 Ca -0.02 0.83 0.07 0.00 -2.23 0.00 0.00 60.65 59.30 1kee s ILE 307 Cb -0.07 -3.78 -0.05 0.00 -1.58 0.00 0.00 42.46 36.98 1kee s ILE 307 CO 0.01 0.23 -0.14 0.42 -1.23 0.00 0.00 174.94 174.23 1kee s THR 308 N 1.37 1.62 -0.16 2.92 -4.23 0.11 -4.21 115.64 113.06 1kee s THR 308 Ca 0.22 -2.18 -0.21 0.00 -1.18 0.00 0.00 61.69 58.34 1kee s THR 308 Cb -0.15 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.66 1kee s THR 308 CO 0.09 -0.63 0.60 0.00 -0.54 0.00 0.00 174.62 174.14 1kee s ALA 309 N -3.04 3.50 0.05 3.99 0.00 -1.26 -2.55 121.76 122.44 1kee s ALA 309 Ca 0.21 -0.20 0.09 0.00 0.00 0.00 0.00 51.96 52.06 1kee s ALA 309 Cb -0.00 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.20 1kee s ALA 309 CO 0.06 -0.37 -0.25 -0.65 0.00 0.00 0.00 175.76 174.55 1kee s GLN 310 N 1.46 1.66 -0.44 0.00 -1.52 0.81 -1.64 119.66 119.99 1kee s GLN 310 Ca 0.29 -1.06 0.07 0.00 -1.95 0.00 0.00 55.36 52.72 1kee s GLN 310 Cb -0.16 -1.82 0.18 0.00 -0.22 0.00 0.00 33.01 31.00 1kee s GLN 310 CO 0.12 0.47 0.67 1.21 -0.25 0.00 0.00 175.29 177.50 1kee s ASN 311 N -1.23 -1.49 -0.28 5.90 2.47 -0.82 -2.19 114.94 117.30 1kee s ASN 311 Ca 0.10 -1.06 -0.25 0.00 0.42 0.00 0.00 52.86 52.08 1kee s ASN 311 Cb -0.10 1.92 0.10 0.00 -1.45 0.00 0.00 41.25 41.72 1kee s ASN 311 CO 0.02 -0.13 0.90 -1.38 -3.72 0.00 0.00 177.10 172.79 1kee s HIS 312 N 1.55 -0.61 -0.47 0.43 -3.43 -0.50 -4.98 115.29 107.28 1kee s HIS 312 Ca 0.20 1.49 0.12 0.00 -0.80 0.00 0.00 55.06 56.07 1kee s HIS 312 Cb -0.03 0.33 -0.14 0.00 -1.43 0.00 0.00 32.58 31.31 1kee s HIS 312 CO -0.07 -0.30 0.46 0.41 -2.00 0.00 0.00 174.74 173.25 1kee n GLY 313 N 2.47 -0.19 3.62 -1.38 0.00 -1.26 -0.28 105.19 108.17 1kee n GLY 313 Ca -0.13 -0.33 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 1kee n GLY 313 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1kee s PHE 314 N -2.23 2.63 0.04 1.61 0.08 -1.26 0.17 117.98 119.02 1kee s PHE 314 Ca 0.03 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 1kee s PHE 314 Cb 0.09 -1.20 0.01 0.00 -0.57 0.00 0.00 43.02 41.35 1kee s PHE 314 CO 0.49 0.61 0.25 0.00 -0.10 0.00 0.00 175.22 176.47 1kee s ALA 315 N -2.37 -0.51 -0.08 5.36 0.00 0.41 -4.82 121.76 119.75 1kee s ALA 315 Ca 0.32 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 1kee s ALA 315 Cb -0.06 0.29 -0.02 0.00 0.00 0.00 0.00 23.12 23.34 1kee s ALA 315 CO 0.19 -0.38 0.95 0.08 0.00 0.00 0.00 175.76 176.60 1kee s VAL 316 N -2.51 4.85 -0.28 0.00 1.01 -1.26 0.68 120.40 122.87 1kee s VAL 316 Ca -0.05 1.94 -0.29 0.00 0.00 0.00 0.00 61.98 63.58 1kee s VAL 316 Cb -0.01 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 1kee s VAL 316 CO -0.03 0.08 1.52 -0.62 0.00 0.00 0.00 175.10 176.04 1kee s ASP 317 N 1.05 6.40 0.29 3.32 3.68 0.57 -4.47 116.67 127.51 1kee s ASP 317 Ca 0.47 1.34 0.01 0.00 2.13 0.00 0.00 52.55 56.51 1kee s ASP 317 Cb -0.19 -2.53 0.53 0.00 -1.45 0.00 0.00 42.92 39.28 1kee s ASP 317 CO 0.20 -1.29 1.87 -0.08 0.13 0.00 0.00 175.17 176.01 1kee h GLU 318 N 10.56 1.00 0.00 4.34 4.81 -1.94 -2.26 114.58 131.09 1kee h GLU 318 Ca -0.31 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1kee h GLU 318 Cb 1.13 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1kee h GLU 318 CO 1.03 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 179.97 1kee n ALA 319 N -2.37 1.25 0.12 2.92 0.00 -1.26 -2.63 120.51 118.54 1kee n ALA 319 Ca 0.16 0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.72 1kee n ALA 319 Cb 0.28 -1.22 0.06 0.00 0.00 0.00 0.00 19.45 18.57 1kee n ALA 319 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1kee n THR 320 N -1.89 0.44 -1.69 0.00 -2.24 -0.85 -5.02 114.28 103.03 1kee n THR 320 Ca 0.01 -0.72 -0.44 0.00 -2.27 0.00 0.00 64.05 60.62 1kee n THR 320 Cb 0.08 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 1kee n THR 320 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1kee n LEU 321 N 0.31 3.37 -4.65 3.22 4.32 -1.08 -4.43 117.00 118.06 1kee n LEU 321 Ca 0.06 1.13 -0.30 0.00 -0.02 0.00 0.00 56.01 56.88 1kee n LEU 321 Cb 0.27 -1.46 0.23 0.00 -1.62 0.00 0.00 43.42 40.83 1kee n LEU 321 CO 0.05 -0.31 0.66 -2.16 -1.22 0.00 0.00 177.39 174.41 1kee s PRO 322 N -0.12 -0.83 0.36 3.23 0.04 -1.26 -4.92 135.00 131.50 1kee s PRO 322 Ca 0.70 -0.07 0.23 0.00 0.04 0.00 0.00 61.00 61.90 1kee s PRO 322 Cb -0.62 -1.64 0.36 0.00 0.04 0.00 0.00 34.50 32.64 1kee s PRO 322 CO 0.47 -3.45 1.54 0.00 0.04 0.00 0.00 177.00 175.60 1kee h ALA 323 N -2.40 0.91 0.00 8.56 0.00 -1.94 -3.09 119.26 121.31 1kee h ALA 323 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1kee h ALA 323 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1kee h ALA 323 CO 0.37 0.00 0.00 0.27 0.00 0.00 0.00 179.25 179.89 1kee n ASN 324 N -2.88 0.00 -4.13 0.00 2.04 -1.26 -4.51 115.26 104.52 1kee n ASN 324 Ca 0.04 -0.50 -0.35 0.00 -0.44 0.00 0.00 54.58 53.33 1kee n ASN 324 Cb 0.51 -0.12 -0.13 0.00 -2.53 0.00 0.00 39.78 37.52 1kee n ASN 324 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1kee s LEU 325 N -2.24 4.74 0.25 -4.53 1.43 -1.17 0.99 118.68 118.15 1kee s LEU 325 Ca 0.32 -1.79 -0.10 0.00 -1.03 0.00 0.00 54.13 51.54 1kee s LEU 325 Cb 0.17 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.55 1kee s LEU 325 CO 0.33 -0.43 0.58 0.00 0.23 0.00 0.00 176.35 177.07 1kee s ARG 326 N 1.15 3.81 -0.14 1.70 1.70 0.17 -4.70 118.95 122.65 1kee s ARG 326 Ca 0.04 0.31 -0.27 0.00 -0.47 0.00 0.00 55.73 55.34 1kee s ARG 326 Cb -0.21 -2.61 -0.01 0.00 -0.57 0.00 0.00 34.95 31.55 1kee s ARG 326 CO -0.04 0.27 0.91 0.08 -1.08 0.00 0.00 175.30 175.45 1kee s VAL 327 N -1.88 4.83 -0.18 4.99 1.01 -1.26 -1.52 120.40 126.39 1kee s VAL 327 Ca 0.48 1.83 0.03 0.00 0.00 0.00 0.00 61.98 64.32 1kee s VAL 327 Cb -0.11 -4.22 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 1kee s VAL 327 CO 0.22 0.01 -0.13 0.35 0.00 0.00 0.00 175.10 175.55 1kee n THR 328 N 4.65 1.04 -4.05 3.92 -2.24 0.12 -4.89 114.28 112.83 1kee n THR 328 Ca 0.07 -0.43 -0.12 0.00 -2.27 0.00 0.00 64.05 61.29 1kee n THR 328 Cb 0.49 -1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 67.53 1kee n THR 328 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1kee s HIS 329 N -2.36 0.52 -0.00 4.78 3.76 -1.18 -1.74 115.29 119.07 1kee s HIS 329 Ca -0.22 -0.43 -0.01 0.00 -0.15 0.00 0.00 55.06 54.25 1kee s HIS 329 Cb 0.06 -0.32 -0.00 0.00 1.11 0.00 0.00 32.58 33.43 1kee s HIS 329 CO 0.45 -0.09 0.01 0.15 -0.85 0.00 0.00 174.74 174.40 1kee s LYS 330 N -1.30 0.07 0.19 1.40 1.02 -0.74 -0.26 119.74 120.12 1kee s LYS 330 Ca -0.09 -0.08 -0.31 0.00 0.02 0.00 0.00 55.97 55.50 1kee s LYS 330 Cb -0.09 0.03 -0.10 0.00 -0.52 0.00 0.00 37.83 37.16 1kee s LYS 330 CO -0.00 -0.01 1.47 0.45 -0.92 0.00 0.00 175.35 176.34 1kee s SER 331 N -0.24 6.67 0.11 2.83 0.15 -0.09 -0.74 113.70 122.39 1kee s SER 331 Ca -0.03 2.57 0.25 0.00 0.70 0.00 0.00 55.95 59.44 1kee s SER 331 Cb -0.02 -2.60 0.56 0.00 -1.71 0.00 0.00 66.02 62.25 1kee s SER 331 CO -0.00 -0.73 1.49 0.18 1.20 0.00 0.00 173.24 175.38 1kee n LEU 332 N 3.29 0.62 -0.00 3.45 4.32 -0.29 -0.88 117.00 127.51 1kee n LEU 332 Ca 0.10 0.29 -0.08 0.00 -0.02 0.00 0.00 56.01 56.31 1kee n LEU 332 Cb 0.40 -0.25 -0.06 0.00 -1.62 0.00 0.00 43.42 41.88 1kee n LEU 332 CO 0.60 -0.05 0.25 -0.26 -1.22 0.00 0.00 177.39 176.71 1kee h PHE 333 N 0.00 -0.10 0.00 -1.77 0.04 -1.91 -3.42 116.94 109.78 1kee h PHE 333 Ca 0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1kee h PHE 333 Cb 0.68 0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.86 1kee h PHE 333 CO 0.00 0.32 0.00 -0.40 -0.60 0.00 0.00 178.31 177.63 1kee n ASP 334 N -4.81 0.53 0.00 2.17 3.85 -1.26 -5.02 116.55 112.01 1kee n ASP 334 Ca -0.06 -0.77 0.00 0.00 -0.71 0.00 0.00 54.79 53.26 1kee n ASP 334 Cb 0.23 0.42 0.00 0.00 -1.35 0.00 0.00 41.12 40.42 1kee n ASP 334 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kee n GLY 335 N 0.42 0.81 3.75 6.12 0.00 -0.06 -5.02 105.19 111.21 1kee n GLY 335 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1kee n GLY 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kee s THR 336 N -3.09 2.90 0.22 2.61 -4.23 -1.26 -4.60 115.64 108.19 1kee s THR 336 Ca 0.00 0.38 -0.31 0.00 -1.18 0.00 0.00 61.69 60.58 1kee s THR 336 Cb 0.00 -2.84 -0.11 0.00 1.34 0.00 0.00 72.50 70.89 1kee s THR 336 CO 0.00 -0.30 1.57 -0.22 -0.54 0.00 0.00 174.62 175.13 1kee s LEU 337 N -5.40 4.37 0.00 4.79 2.96 -1.26 -0.91 118.68 123.23 1kee s LEU 337 Ca 0.67 2.75 0.00 0.00 -0.22 0.00 0.00 54.13 57.33 1kee s LEU 337 Cb -0.22 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.86 1kee s LEU 337 CO 0.48 -0.84 0.00 0.00 -1.32 0.00 0.00 176.35 174.66 1kee n GLN 338 N 3.20 2.11 -3.77 1.98 1.13 0.64 -4.76 117.38 117.90 1kee n GLN 338 Ca 0.11 0.00 -0.10 0.00 -1.94 0.00 0.00 57.00 55.07 1kee n GLN 338 Cb 0.38 -0.97 -0.06 0.00 0.11 0.00 0.00 30.24 29.69 1kee n GLN 338 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1kee s GLY 339 N -3.36 -0.06 0.04 1.08 0.00 -0.69 0.81 107.32 105.15 1kee s GLY 339 Ca 0.00 -0.31 -0.18 0.00 0.00 0.00 0.00 44.72 44.23 1kee s GLY 339 CO 0.00 -0.53 0.41 -0.26 0.00 0.00 0.00 173.10 172.72 1kee s ILE 340 N -3.54 0.06 -0.01 0.90 -4.36 -0.83 0.11 121.20 113.53 1kee s ILE 340 Ca 0.02 -0.45 0.03 0.00 -0.26 0.00 0.00 60.65 59.98 1kee s ILE 340 Cb 0.03 -0.95 -0.01 0.00 1.25 0.00 0.00 42.46 42.78 1kee s ILE 340 CO -0.10 -0.25 -0.08 -2.28 0.24 0.00 0.00 174.94 172.47 1kee s HIS 341 N -2.45 0.74 -0.02 1.37 2.46 -0.58 -1.22 115.29 115.59 1kee s HIS 341 Ca -0.05 -0.14 -0.30 0.00 0.47 0.00 0.00 55.06 55.03 1kee s HIS 341 Cb -0.01 -0.48 -0.03 0.00 -0.13 0.00 0.00 32.58 31.93 1kee s HIS 341 CO -0.02 -0.01 1.08 1.03 -2.47 0.00 0.00 174.74 174.35 1kee s ARG 342 N -0.20 4.45 0.54 2.88 1.81 0.22 -0.66 118.95 127.99 1kee s ARG 342 Ca 0.03 1.55 0.32 0.00 -1.72 0.00 0.00 55.73 55.91 1kee s ARG 342 Cb -0.03 -3.48 1.42 0.00 -0.45 0.00 0.00 34.95 32.41 1kee s ARG 342 CO -0.00 -0.25 2.01 1.79 -0.68 0.00 0.00 175.30 178.17 1kee h THR 343 N 4.86 0.18 -0.00 0.02 1.35 0.32 -3.20 112.91 116.44 1kee h THR 343 Ca -0.37 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 1kee h THR 343 Cb 1.19 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.09 1kee h THR 343 CO 0.82 0.06 -0.26 -0.90 -0.25 0.00 0.00 175.52 174.99 1kee n ASP 344 N -3.22 0.54 -4.17 5.36 3.85 -1.26 -5.06 116.55 112.60 1kee n ASP 344 Ca -0.00 -0.77 -0.10 0.00 -0.71 0.00 0.00 54.79 53.21 1kee n ASP 344 Cb 0.29 0.83 -0.10 0.00 -1.35 0.00 0.00 41.12 40.79 1kee n ASP 344 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 1kee s LYS 345 N -1.46 0.83 -1.05 0.11 -0.14 -1.21 -5.03 119.74 111.79 1kee s LYS 345 Ca 0.04 -1.34 -0.08 0.00 -1.36 0.00 0.00 55.97 53.23 1kee s LYS 345 Cb 0.05 -0.16 -0.12 0.00 -1.68 0.00 0.00 37.83 35.93 1kee s LYS 345 CO 0.24 -0.04 2.84 -2.30 -0.76 0.00 0.00 175.35 175.34 1kee n PRO 346 N -0.04 2.84 -3.96 -1.68 -0.02 -1.26 -4.23 135.00 126.65 1kee n PRO 346 Ca -0.12 -1.69 -0.20 0.00 -2.02 0.00 0.00 63.50 59.47 1kee n PRO 346 Cb 0.61 -2.50 -0.17 0.00 -0.02 0.00 0.00 33.50 31.42 1kee n PRO 346 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1kee s ALA 347 N 2.21 0.54 0.13 3.55 0.00 -1.26 0.45 121.76 127.38 1kee s ALA 347 Ca 0.60 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.44 1kee s ALA 347 Cb 0.19 -0.48 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1kee s ALA 347 CO -0.04 -0.17 0.34 -0.59 0.00 0.00 0.00 175.76 175.30 1kee s PHE 348 N 1.28 -0.03 0.15 0.00 -0.12 -0.79 0.71 117.98 119.19 1kee s PHE 348 Ca -0.06 -0.33 -0.18 0.00 -0.05 0.00 0.00 56.93 56.31 1kee s PHE 348 Cb -0.13 0.15 0.04 0.00 -0.63 0.00 0.00 43.02 42.45 1kee s PHE 348 CO -0.02 -0.68 0.49 -1.54 -0.05 0.00 0.00 175.22 173.42 1kee s SER 349 N -2.84 -0.33 -0.03 1.98 1.04 -0.36 -1.86 113.70 111.29 1kee s SER 349 Ca 0.06 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.24 1kee s SER 349 Cb 0.03 0.54 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 1kee s SER 349 CO -0.10 -0.94 -0.12 0.12 0.98 0.00 0.00 173.24 173.18 1kee s PHE 350 N -3.81 1.24 -0.12 5.02 5.36 -0.10 -1.97 117.98 123.60 1kee s PHE 350 Ca 0.04 -0.32 0.23 0.00 -0.96 0.00 0.00 56.93 55.93 1kee s PHE 350 Cb 0.00 -0.85 0.61 0.00 -0.34 0.00 0.00 43.02 42.44 1kee s PHE 350 CO -0.10 -0.11 1.69 0.37 -1.46 0.00 0.00 175.22 175.62 1kee h GLN 351 N 6.26 0.00 0.00 10.12 5.75 0.09 -3.39 115.11 133.95 1kee h GLN 351 Ca -0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 1kee h GLN 351 Cb 1.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.72 1kee h GLN 351 CO 0.48 0.18 0.00 0.41 -2.65 0.00 0.00 178.83 177.25 1kee n GLY 352 N 0.69 1.59 3.17 2.39 0.00 -1.26 -4.76 105.19 107.01 1kee n GLY 352 Ca 0.02 -2.08 -0.40 0.00 0.00 0.00 0.00 46.02 43.56 1kee n GLY 352 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1kee s HIS 353 N 0.78 3.51 0.61 1.61 3.76 -0.65 -4.90 115.29 120.01 1kee s HIS 353 Ca 0.00 -2.38 0.32 0.00 -0.15 0.00 0.00 55.06 52.85 1kee s HIS 353 Cb 0.00 -3.41 1.81 0.00 1.11 0.00 0.00 32.58 32.10 1kee s HIS 353 CO 0.00 -0.91 2.16 -1.35 -0.85 0.00 0.00 174.74 173.79 1kee h PRO 354 N 7.51 0.00 0.00 8.40 0.11 -1.88 0.50 132.00 146.64 1kee h PRO 354 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1kee h PRO 354 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1kee h PRO 354 CO 0.75 0.00 -0.27 -0.85 -0.21 0.00 0.00 178.00 177.42 1kee n GLU 355 N -3.61 0.13 0.00 1.05 0.00 -1.26 -3.54 120.64 113.41 1kee n GLU 355 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 57.16 57.22 1kee n GLU 355 Cb 0.24 -1.61 0.00 0.00 0.00 0.00 0.00 31.44 30.07 1kee n GLU 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1kee n ALA 356 N -1.64 0.00 -2.49 -1.84 0.00 0.17 -4.85 120.51 109.87 1kee n ALA 356 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.45 1kee n ALA 356 Cb 0.38 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.84 1kee n ALA 356 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1kee n SER 357 N 0.90 -6.24 -4.73 0.00 2.88 -1.26 -4.84 113.62 100.32 1kee n SER 357 Ca 0.00 0.32 -0.26 0.00 -1.33 0.00 0.00 58.87 57.60 1kee n SER 357 Cb 0.00 -4.14 0.10 0.00 -0.75 0.00 0.00 64.21 59.42 1kee n SER 357 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1kee s PRO 358 N -2.28 1.82 0.00 -1.46 0.04 -1.26 -4.81 135.00 127.04 1kee s PRO 358 Ca 0.15 -0.52 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1kee s PRO 358 Cb -0.04 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.33 1kee s PRO 358 CO 0.55 -1.46 0.00 0.41 0.04 0.00 0.00 177.00 176.54 1kee n GLY 359 N -3.01 2.23 3.77 0.56 0.00 -1.26 -4.82 105.19 102.65 1kee n GLY 359 Ca 0.11 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.54 1kee n GLY 359 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1kee s PRO 360 N -1.81 4.16 0.00 1.61 0.05 -1.26 -4.87 135.00 132.87 1kee s PRO 360 Ca 0.00 2.50 0.11 0.00 0.05 0.00 0.00 61.00 63.67 1kee s PRO 360 Cb 0.00 -3.01 0.63 0.00 0.05 0.00 0.00 34.50 32.17 1kee s PRO 360 CO 0.00 -0.51 1.41 0.72 0.05 0.00 0.00 177.00 178.68 1kee n HIS 361 N 1.16 0.04 -0.15 0.56 8.25 -1.26 -4.23 115.22 119.59 1kee n HIS 361 Ca 0.03 -0.02 0.28 0.00 -0.26 0.00 0.00 57.72 57.75 1kee n HIS 361 Cb 0.39 0.00 0.72 0.00 1.12 0.00 0.00 29.99 32.22 1kee n HIS 361 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1kee h ASP 362 N 0.27 0.00 -0.66 0.41 3.45 -1.91 -1.79 116.42 116.18 1kee h ASP 362 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1kee h ASP 362 Cb 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1kee h ASP 362 CO 0.00 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.67 1kee n ALA 363 N -2.63 2.71 -0.34 3.45 0.00 -1.26 -4.54 120.51 117.91 1kee n ALA 363 Ca 0.17 -1.46 0.07 0.00 0.00 0.00 0.00 53.44 52.23 1kee n ALA 363 Cb 0.96 -0.93 0.25 0.00 0.00 0.00 0.00 19.45 19.73 1kee n ALA 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1kee h ALA 364 N 4.02 1.55 0.00 0.00 0.00 -1.37 -2.65 119.26 120.82 1kee h ALA 364 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1kee h ALA 364 Cb 1.20 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1kee h ALA 364 CO 0.11 0.23 0.05 -0.35 0.00 0.00 0.00 179.25 179.29 1kee n PRO 365 N -4.57 0.00 -0.20 0.00 -0.04 -1.26 -1.84 135.00 127.10 1kee n PRO 365 Ca 0.17 0.44 -0.03 0.00 -0.04 0.00 0.00 63.50 64.04 1kee n PRO 365 Cb 0.32 -1.55 0.16 0.00 -0.04 0.00 0.00 33.50 32.40 1kee n PRO 365 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1kee h LEU 366 N 0.00 0.89 -0.91 1.53 4.07 -1.83 -2.08 115.31 116.98 1kee h LEU 366 Ca 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 1kee h LEU 366 Cb 0.09 -0.23 -0.04 0.00 1.08 0.00 0.00 40.66 41.56 1kee h LEU 366 CO 0.00 0.81 0.52 -0.26 -1.08 0.00 0.00 178.44 178.43 1kee h PHE 367 N 0.95 1.23 -0.37 1.13 0.04 -1.61 -2.37 116.94 115.95 1kee h PHE 367 Ca 0.22 -0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.05 1kee h PHE 367 Cb 0.20 -0.40 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1kee h PHE 367 CO 0.02 0.83 0.26 -0.44 -0.60 0.00 0.00 178.31 178.37 1kee h ASP 368 N 1.26 0.13 -0.07 2.17 3.45 -1.52 -0.70 116.42 121.15 1kee h ASP 368 Ca 0.32 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.65 1kee h ASP 368 Cb -0.01 -0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.72 1kee h ASP 368 CO -0.06 0.09 -0.41 -0.74 -1.57 0.00 0.00 179.24 176.55 1kee h HIS 369 N 0.15 0.71 -0.27 4.55 2.76 -1.41 -1.50 115.15 120.16 1kee h HIS 369 Ca 0.17 -0.21 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 1kee h HIS 369 Cb 0.48 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1kee h HIS 369 CO -0.00 0.91 0.17 0.35 -1.30 0.00 0.00 177.93 178.06 1kee h PHE 370 N 0.49 0.32 -0.72 5.26 3.57 -1.08 -1.93 116.94 122.85 1kee h PHE 370 Ca 0.04 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.60 1kee h PHE 370 Cb 0.92 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.51 1kee h PHE 370 CO 0.04 0.20 0.48 0.82 -2.23 0.00 0.00 178.31 177.62 1kee h ILE 371 N 0.35 1.05 -0.44 1.41 1.08 -0.93 -1.38 117.51 118.64 1kee h ILE 371 Ca 0.10 -0.27 0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1kee h ILE 371 Cb -0.03 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 33.85 1kee h ILE 371 CO -0.03 0.14 0.14 -0.33 -0.69 0.00 0.00 178.15 177.38 1kee h GLU 372 N 0.79 0.29 -0.61 2.37 3.07 -0.51 -0.18 114.58 119.79 1kee h GLU 372 Ca 0.31 -0.02 -0.08 0.00 -0.50 0.00 0.00 59.36 59.07 1kee h GLU 372 Cb 0.20 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1kee h GLU 372 CO -0.10 0.19 0.06 -0.07 -1.40 0.00 0.00 179.01 177.69 1kee h LEU 373 N 0.30 1.01 -0.38 1.33 3.38 -0.94 -0.97 115.31 119.04 1kee h LEU 373 Ca 0.21 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1kee h LEU 373 Cb 0.22 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1kee h LEU 373 CO -0.23 1.04 0.11 0.40 0.09 0.00 0.00 178.44 179.84 1kee h ILE 374 N 0.95 1.22 0.00 1.22 2.04 -0.72 -1.27 117.51 120.95 1kee h ILE 374 Ca 0.18 -0.73 -0.05 0.00 1.00 0.00 0.00 64.86 65.26 1kee h ILE 374 Cb 0.48 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1kee h ILE 374 CO 0.02 0.26 -0.22 -0.33 0.00 0.00 0.00 178.15 177.87 1kee h GLU 375 N 0.47 0.00 0.06 2.37 5.08 -0.84 -1.13 114.58 120.59 1kee h GLU 375 Ca 0.12 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.24 1kee h GLU 375 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 1kee h GLU 375 CO -0.00 0.22 -1.16 0.37 -1.00 0.00 0.00 179.01 177.44 1kee h GLN 376 N 0.00 0.12 -0.52 2.33 4.15 -1.05 -2.76 115.11 117.38 1kee h GLN 376 Ca -0.00 -0.21 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1kee h GLN 376 Cb 0.40 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1kee h GLN 376 CO 0.03 1.07 0.13 -0.92 -1.93 0.00 0.00 178.83 177.22 1kee h TYR 377 N 0.03 0.86 -0.15 3.99 5.03 -0.60 -3.00 116.97 123.13 1kee h TYR 377 Ca -0.08 -0.10 -0.14 0.00 2.58 0.00 0.00 58.73 60.99 1kee h TYR 377 Cb 1.87 -0.24 -0.01 0.00 1.55 0.00 0.00 36.73 39.90 1kee h TYR 377 CO 0.03 0.75 -0.49 0.00 -1.32 0.00 0.00 178.16 177.13 1kee h ARG 378 N 0.71 0.40 0.00 1.82 3.08 -1.28 -2.67 114.38 116.44 1kee h ARG 378 Ca 0.16 -0.23 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 1kee h ARG 378 Cb 0.32 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 1kee h ARG 378 CO 0.00 0.80 -0.02 1.57 -1.07 0.00 0.00 179.97 181.25 1kee h LYS 379 N 0.32 0.00 -0.02 0.04 2.10 -1.35 -3.51 116.57 114.15 1kee h LYS 379 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1kee h LYS 379 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1kee h LYS 379 CO 0.08 0.02 0.00 2.41 -2.00 0.00 0.00 179.45 179.97