#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 1.83 0.75 9.51 1.02 -1.26 -5.01 119.74 126.58 1kee s LYS 3 Ca 0.00 -2.08 -0.11 0.00 0.02 0.00 0.00 55.97 53.81 1kee s LYS 3 Cb 0.00 -3.39 0.05 0.00 -0.52 0.00 0.00 37.83 33.97 1kee s LYS 3 CO 0.00 -1.03 1.08 -1.12 -0.92 0.00 0.00 175.35 173.36 1kee s SER 4 N 0.90 4.72 -0.15 2.83 0.01 -1.25 -1.14 113.70 119.62 1kee s SER 4 Ca 0.12 1.75 -0.27 0.00 1.31 0.00 0.00 55.95 58.86 1kee s SER 4 Cb -0.21 -2.50 0.07 0.00 0.21 0.00 0.00 66.02 63.58 1kee s SER 4 CO -0.05 -1.89 0.67 0.00 0.41 0.00 0.00 173.24 172.39 1kee s ALA 5 N -2.95 -1.71 -0.02 1.44 0.00 -1.03 -2.43 121.76 115.06 1kee s ALA 5 Ca 0.60 1.58 -0.06 0.00 0.00 0.00 0.00 51.96 54.09 1kee s ALA 5 Cb -0.16 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1kee s ALA 5 CO 0.56 -0.35 0.14 -1.17 0.00 0.00 0.00 175.76 174.94 1kee s LEU 6 N -0.46 1.52 -0.09 0.00 2.96 0.97 -1.56 118.68 122.03 1kee s LEU 6 Ca -0.06 0.00 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 1kee s LEU 6 Cb -0.02 0.59 0.01 0.00 0.50 0.00 0.00 46.19 47.27 1kee s LEU 6 CO 0.06 -0.23 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.48 1kee s LEU 7 N -0.76 1.76 -0.05 -0.68 2.96 -0.60 0.61 118.68 121.92 1kee s LEU 7 Ca -0.08 -0.40 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1kee s LEU 7 Cb -0.05 -1.04 -0.00 0.00 0.50 0.00 0.00 46.19 45.59 1kee s LEU 7 CO 0.01 0.05 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.20 1kee s VAL 8 N 0.72 1.65 0.26 1.68 1.01 0.14 -0.87 120.40 124.98 1kee s VAL 8 Ca -0.13 -0.83 0.05 0.00 0.00 0.00 0.00 61.98 61.07 1kee s VAL 8 Cb -0.16 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 1kee s VAL 8 CO 0.03 0.47 0.39 -0.76 0.00 0.00 0.00 175.10 175.23 1kee s LEU 9 N 0.01 4.25 0.29 3.92 1.43 -0.65 -0.67 118.68 127.26 1kee s LEU 9 Ca -0.05 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1kee s LEU 9 Cb -0.13 -2.90 0.74 0.00 0.03 0.00 0.00 46.19 43.93 1kee s LEU 9 CO 0.03 -0.13 1.66 -0.33 0.23 0.00 0.00 176.35 177.81 1kee h GLU 10 N 1.09 0.26 0.00 1.70 5.08 -1.11 0.33 114.58 121.93 1kee h GLU 10 Ca -0.51 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1kee h GLU 10 Cb 1.23 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1kee h GLU 10 CO 0.60 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 178.38 1kee n ASP 11 N -5.16 0.00 0.00 1.42 3.85 -1.26 -4.85 116.55 110.55 1kee n ASP 11 Ca 0.22 0.28 0.00 0.00 -0.71 0.00 0.00 54.79 54.58 1kee n ASP 11 Cb 0.69 -0.38 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 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 -0.27 0.29 3.68 6.12 0.00 0.12 -5.05 105.19 110.07 1kee n GLY 12 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.06 3.26 -0.05 2.61 2.01 -1.25 -4.75 115.64 115.40 1kee s THR 13 Ca 0.00 0.54 0.01 0.00 0.31 0.00 0.00 61.69 62.55 1kee s THR 13 Cb 0.00 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.13 1kee s THR 13 CO 0.00 -0.02 -0.05 -1.10 -0.69 0.00 0.00 174.62 172.76 1kee s GLN 14 N 3.32 2.76 -0.22 4.92 -0.21 -1.26 -1.63 119.66 127.34 1kee s GLN 14 Ca 0.75 -0.55 0.00 0.00 0.02 0.00 0.00 55.36 55.57 1kee s GLN 14 Cb -0.37 -2.62 0.06 0.00 1.00 0.00 0.00 33.01 31.07 1kee s GLN 14 CO 0.32 0.66 -0.04 -0.06 -2.12 0.00 0.00 175.29 174.05 1kee s PHE 15 N -0.88 2.12 -0.18 0.91 0.08 -0.05 -5.00 117.98 114.97 1kee s PHE 15 Ca 0.14 -1.56 -0.12 0.00 0.12 0.00 0.00 56.93 55.51 1kee s PHE 15 Cb -0.11 -1.47 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 1kee s PHE 15 CO 0.03 -0.74 0.21 -1.01 -0.10 0.00 0.00 175.22 173.62 1kee s HIS 16 N 1.49 3.43 0.00 0.36 3.76 -1.26 -1.56 115.29 121.50 1kee s HIS 16 Ca -0.05 0.46 0.00 0.00 -0.15 0.00 0.00 55.06 55.32 1kee s HIS 16 Cb -0.18 -2.26 0.00 0.00 1.11 0.00 0.00 32.58 31.25 1kee s HIS 16 CO -0.07 0.25 0.00 0.41 -0.85 0.00 0.00 174.74 174.48 1kee n GLY 17 N 3.50 4.09 3.32 -2.22 0.00 -0.60 -4.72 105.19 108.56 1kee n GLY 17 Ca -0.14 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.00 1kee n GLY 17 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kee s ARG 18 N 2.80 1.81 0.07 1.61 1.70 0.14 -2.47 118.95 124.62 1kee s ARG 18 Ca 0.00 -1.03 -0.31 0.00 -0.47 0.00 0.00 55.73 53.93 1kee s ARG 18 Cb 0.00 -1.91 -0.06 0.00 -0.57 0.00 0.00 34.95 32.41 1kee s ARG 18 CO 0.00 0.50 1.19 0.00 -1.08 0.00 0.00 175.30 175.91 1kee s ALA 19 N -0.74 3.38 0.00 7.88 0.00 -0.29 0.50 121.76 132.50 1kee s ALA 19 Ca 0.11 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.91 1kee s ALA 19 Cb -0.10 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.59 1kee s ALA 19 CO 0.01 -0.42 0.36 0.44 0.00 0.00 0.00 175.76 176.15 1kee n ILE 20 N 3.82 0.03 0.00 0.00 -5.35 0.03 -4.90 119.36 113.01 1kee n ILE 20 Ca 0.08 -0.35 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 1kee n ILE 20 Cb 0.46 1.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.66 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 -0.02 5.38 3.79 3.28 0.00 -1.23 -4.52 105.19 111.88 1kee n GLY 21 Ca 0.00 -1.28 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.00 2.67 0.21 4.61 0.00 0.39 -4.76 121.76 122.88 1kee s ALA 22 Ca 0.00 0.43 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1kee s ALA 22 Cb 0.00 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 1kee s ALA 22 CO 0.00 -0.94 0.97 0.99 0.00 0.00 0.00 175.76 176.78 1kee s THR 23 N -2.43 4.09 -5.00 0.00 2.01 -1.26 -4.43 115.64 108.62 1kee s THR 23 Ca 0.64 2.00 0.00 0.00 0.31 0.00 0.00 61.69 64.65 1kee s THR 23 Cb -0.17 -4.28 0.00 0.00 0.01 0.00 0.00 72.50 68.06 1kee s THR 23 CO 0.38 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 175.36 1kee n GLY 24 N 1.65 0.68 3.31 4.40 0.00 -0.55 -4.98 105.19 109.70 1kee n GLY 24 Ca -0.01 -1.75 -0.21 0.00 0.00 0.00 0.00 46.02 44.05 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 2.51 -0.03 1.61 1.04 -1.26 -0.35 113.70 113.22 1kee s SER 25 Ca 0.00 -0.85 -0.03 0.00 0.48 0.00 0.00 55.95 55.55 1kee s SER 25 Cb 0.00 -0.13 0.01 0.00 0.10 0.00 0.00 66.02 66.00 1kee s SER 25 CO 0.00 -0.06 0.09 0.00 0.98 0.00 0.00 173.24 174.24 1kee s ALA 26 N -2.07 -0.20 -0.05 5.32 0.00 0.21 -4.92 121.76 120.06 1kee s ALA 26 Ca 0.14 0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1kee s ALA 26 Cb -0.05 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1kee s ALA 26 CO 0.06 -0.05 -0.10 0.08 0.00 0.00 0.00 175.76 175.74 1kee s VAL 27 N 0.16 0.94 0.01 0.00 1.01 -1.26 -0.92 120.40 120.34 1kee s VAL 27 Ca -0.01 -0.40 -0.25 0.00 0.00 0.00 0.00 61.98 61.32 1kee s VAL 27 Cb -0.02 -0.86 0.08 0.00 0.00 0.00 0.00 36.38 35.59 1kee s VAL 27 CO -0.00 0.30 1.15 0.61 0.00 0.00 0.00 175.10 177.16 1kee n GLY 28 N 3.62 0.31 3.75 4.51 0.00 -0.78 -4.81 105.19 111.79 1kee n GLY 28 Ca -0.21 -1.05 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.02 4.84 -0.13 1.61 2.12 -0.55 -0.32 118.70 124.25 1kee s GLU 29 Ca 0.27 1.50 -0.12 0.00 0.36 0.00 0.00 54.97 56.98 1kee s GLU 29 Cb -0.01 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 1kee s GLU 29 CO 0.00 0.49 0.25 0.08 -0.54 0.00 0.00 175.26 175.55 1kee s VAL 30 N -1.11 5.32 0.09 3.70 1.01 0.17 0.13 120.40 129.72 1kee s VAL 30 Ca 0.41 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.88 1kee s VAL 30 Cb -0.26 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1kee s VAL 30 CO 0.32 0.49 -0.06 0.68 0.00 0.00 0.00 175.10 176.52 1kee s VAL 31 N -0.19 0.66 -0.03 2.92 -7.23 -0.56 -4.07 120.40 111.90 1kee s VAL 31 Ca 0.16 -1.90 0.05 0.00 -1.81 0.00 0.00 61.98 58.48 1kee s VAL 31 Cb -0.13 -1.63 -0.03 0.00 0.56 0.00 0.00 36.38 35.15 1kee s VAL 31 CO 0.05 -0.86 -0.16 0.72 -0.31 0.00 0.00 175.10 174.53 1kee s PHE 32 N -3.55 2.64 -0.09 2.82 -0.12 -1.26 -0.43 117.98 117.99 1kee s PHE 32 Ca 0.11 -0.21 0.03 0.00 -0.05 0.00 0.00 56.93 56.81 1kee s PHE 32 Cb 0.05 -1.59 0.01 0.00 -0.63 0.00 0.00 43.02 40.85 1kee s PHE 32 CO -0.05 0.17 -0.18 1.21 -0.05 0.00 0.00 175.22 176.32 1kee s ASN 33 N -0.81 2.43 0.00 1.98 3.84 0.26 -4.49 114.94 118.14 1kee s ASN 33 Ca 0.12 -0.43 0.18 0.00 0.21 0.00 0.00 52.86 52.94 1kee s ASN 33 Cb -0.11 -1.12 0.63 0.00 -0.55 0.00 0.00 41.25 40.11 1kee s ASN 33 CO 0.01 0.09 1.47 0.35 -2.79 0.00 0.00 177.10 176.23 1kee n THR 34 N 3.72 0.29 -2.06 -5.21 -2.24 -1.01 -1.40 114.28 106.38 1kee n THR 34 Ca -0.21 -0.39 -0.43 0.00 -2.27 0.00 0.00 64.05 60.75 1kee n THR 34 Cb 0.52 0.35 -0.03 0.00 -2.10 0.00 0.00 70.33 69.08 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 -1.42 6.39 0.46 3.42 0.01 -1.26 -4.73 113.70 116.57 1kee s SER 35 Ca 0.30 1.78 0.24 0.00 1.31 0.00 0.00 55.95 59.58 1kee s SER 35 Cb 0.16 -2.53 1.10 0.00 0.21 0.00 0.00 66.02 64.96 1kee s SER 35 CO 0.24 -1.22 1.91 0.24 0.41 0.00 0.00 173.24 174.82 1kee h MET 36 N 10.71 0.00 -5.09 12.44 2.86 -1.98 -3.43 114.93 130.44 1kee h MET 36 Ca -0.35 0.00 -0.36 0.00 -2.06 0.00 0.00 59.70 56.92 1kee h MET 36 Cb 1.16 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.68 1kee h MET 36 CO 0.99 0.21 -0.68 0.95 1.06 0.00 0.00 176.91 179.44 1kee s THR 37 N -3.89 1.09 0.00 2.22 -4.23 -1.26 -4.92 115.64 104.66 1kee s THR 37 Ca -0.01 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1kee s THR 37 Cb 0.12 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.79 1kee s THR 37 CO 0.63 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 174.84 1kee n GLY 38 N -0.34 0.81 0.37 3.99 0.00 -1.26 -4.88 105.19 103.87 1kee n GLY 38 Ca -0.07 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.92 -0.16 1.61 -0.00 -1.91 -1.64 116.97 115.78 1kee h TYR 39 Ca 0.00 0.03 -0.03 0.00 0.00 0.00 0.00 58.73 58.72 1kee h TYR 39 Cb 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 36.73 36.44 1kee h TYR 39 CO 0.00 0.29 -0.03 0.37 -0.00 0.00 0.00 178.16 178.79 1kee h GLN 40 N 0.73 0.31 -0.47 0.10 4.15 -1.91 -0.62 115.11 117.39 1kee h GLN 40 Ca 0.51 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.83 1kee h GLN 40 Cb 0.81 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.46 1kee h GLN 40 CO -0.27 0.56 0.31 0.93 -1.93 0.00 0.00 178.83 178.44 1kee h GLU 41 N 0.02 0.59 -0.33 1.69 3.07 -1.33 -1.34 114.58 116.95 1kee h GLU 41 Ca 0.04 -0.04 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1kee h GLU 41 Cb 0.44 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.21 1kee h GLU 41 CO 0.01 0.39 -0.16 0.82 -1.40 0.00 0.00 179.01 178.67 1kee h ILE 42 N 0.60 1.29 -0.36 3.13 2.04 -1.04 -2.91 117.51 120.26 1kee h ILE 42 Ca 0.18 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.73 1kee h ILE 42 Cb -0.02 1.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 1kee h ILE 42 CO -0.04 0.41 0.07 -0.07 0.00 0.00 0.00 178.15 178.52 1kee h LEU 43 N 0.47 0.49 -1.74 1.44 3.38 -0.20 -2.29 115.31 116.86 1kee h LEU 43 Ca 0.07 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1kee h LEU 43 Cb 0.69 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1kee h LEU 43 CO 0.05 0.51 0.00 0.35 0.09 0.00 0.00 178.44 179.44 1kee n THR 44 N -4.33 0.82 -3.00 0.22 -2.24 -0.59 -1.99 114.28 103.17 1kee n THR 44 Ca 0.02 -0.60 -0.42 0.00 -2.27 0.00 0.00 64.05 60.79 1kee n THR 44 Cb 0.20 0.06 -0.06 0.00 -2.10 0.00 0.00 70.33 68.43 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 -0.82 6.54 0.37 3.42 3.68 -0.86 -3.03 116.67 125.96 1kee s ASP 45 Ca 0.27 0.36 0.14 0.00 2.13 0.00 0.00 52.55 55.45 1kee s ASP 45 Cb 0.16 -2.38 0.97 0.00 -1.45 0.00 0.00 42.92 40.22 1kee s ASP 45 CO 0.15 -0.66 1.80 -0.65 0.13 0.00 0.00 175.17 175.94 1kee h PRO 46 N 8.39 0.51 0.00 4.34 0.11 -1.88 0.31 132.00 143.78 1kee h PRO 46 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1kee h PRO 46 Cb 1.10 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1kee h PRO 46 CO 0.88 0.34 0.36 0.77 -0.21 0.00 0.00 178.00 180.14 1kee h SER 47 N 0.53 0.00 -0.37 -2.05 0.02 -1.85 0.33 113.55 110.15 1kee h SER 47 Ca 0.56 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 1kee h SER 47 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1kee h SER 47 CO -0.30 0.00 0.00 -1.22 -1.14 0.00 0.00 176.83 174.17 1kee n TYR 48 N -2.49 0.49 -1.74 3.45 4.01 0.11 -4.30 117.16 116.69 1kee n TYR 48 Ca -0.01 -0.25 -0.42 0.00 -0.16 0.00 0.00 57.90 57.06 1kee n TYR 48 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.41 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 0.68 3.46 -0.15 7.72 2.88 0.12 -1.22 113.62 127.10 1kee n SER 49 Ca 0.15 1.20 -0.02 0.00 -1.33 0.00 0.00 58.87 58.87 1kee n SER 49 Cb 0.36 -1.56 -0.01 0.00 -0.75 0.00 0.00 64.21 62.24 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 0.95 -1.49 -4.90 -1.46 1.74 -1.25 -4.79 116.66 105.47 1kee n ARG 50 Ca 0.04 0.47 -0.33 0.00 -0.77 0.00 0.00 57.85 57.26 1kee n ARG 50 Cb 0.37 -4.62 -0.13 0.00 -1.02 0.00 0.00 32.46 27.06 1kee n ARG 50 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1kee s GLN 51 N -1.75 2.47 -0.40 5.56 -0.21 -0.36 -1.48 119.66 123.48 1kee s GLN 51 Ca 0.00 -0.72 -0.18 0.00 0.02 0.00 0.00 55.36 54.49 1kee s GLN 51 Cb 0.00 -2.36 0.01 0.00 1.00 0.00 0.00 33.01 31.67 1kee s GLN 51 CO 0.00 0.62 0.46 0.42 -2.12 0.00 0.00 175.29 174.67 1kee s ILE 52 N -0.74 5.05 -0.20 1.08 1.01 0.34 0.05 121.20 127.79 1kee s ILE 52 Ca 0.12 -0.12 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 1kee s ILE 52 Cb -0.11 -4.01 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 1kee s ILE 52 CO 0.01 -0.36 0.74 -0.69 0.00 0.00 0.00 174.94 174.64 1kee s VAL 53 N 2.25 4.93 -0.20 2.92 1.01 0.50 -1.50 120.40 130.31 1kee s VAL 53 Ca 0.14 1.42 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 1kee s VAL 53 Cb -0.16 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1kee s VAL 53 CO 0.14 0.03 0.01 -0.89 0.00 0.00 0.00 175.10 174.39 1kee s THR 54 N 2.26 4.08 -0.16 3.92 2.01 0.43 0.76 115.64 128.94 1kee s THR 54 Ca 0.33 -0.27 -0.05 0.00 0.31 0.00 0.00 61.69 62.01 1kee s THR 54 Cb -0.16 -2.85 -0.03 0.00 0.01 0.00 0.00 72.50 69.47 1kee s THR 54 CO 0.10 0.43 0.01 -0.76 -0.69 0.00 0.00 174.62 173.71 1kee s LEU 55 N 0.91 3.55 0.20 4.42 1.43 -0.65 0.88 118.68 129.42 1kee s LEU 55 Ca 0.02 -0.00 -0.04 0.00 -1.03 0.00 0.00 54.13 53.07 1kee s LEU 55 Cb -0.14 -1.87 0.13 0.00 0.03 0.00 0.00 46.19 44.33 1kee s LEU 55 CO 0.02 0.19 1.53 0.71 0.23 0.00 0.00 176.35 179.04 1kee h THR 56 N 4.93 1.30 -2.56 5.49 1.35 -1.57 -3.42 112.91 118.43 1kee h THR 56 Ca -0.36 -1.66 -0.56 0.00 -0.55 0.00 0.00 66.41 63.28 1kee h THR 56 Cb 1.18 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 69.20 1kee h THR 56 CO 0.66 0.53 1.21 -0.47 -0.25 0.00 0.00 175.52 177.19 1kee s TYR 57 N -4.16 1.80 0.20 4.73 5.04 -1.26 -4.92 117.35 118.78 1kee s TYR 57 Ca -0.08 0.37 -0.16 0.00 -2.44 0.00 0.00 57.07 54.76 1kee s TYR 57 Cb 0.12 -4.02 0.19 0.00 0.35 0.00 0.00 41.96 38.60 1kee s TYR 57 CO 0.84 -3.60 1.62 -1.00 -1.34 0.00 0.00 175.55 172.08 1kee h PRO 58 N 11.43 -0.05 -5.30 4.97 0.13 -1.94 -3.38 132.00 137.87 1kee h PRO 58 Ca -0.38 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 64.11 1kee h PRO 58 Cb 1.18 0.01 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1kee h PRO 58 CO 0.98 -0.03 0.37 -1.01 -0.23 0.00 0.00 178.00 178.09 1kee s HIS 59 N -6.18 2.83 -0.27 1.56 3.76 -1.26 -0.89 115.29 114.83 1kee s HIS 59 Ca -0.14 -0.51 -0.05 0.00 -0.15 0.00 0.00 55.06 54.21 1kee s HIS 59 Cb 0.18 -4.05 0.01 0.00 1.11 0.00 0.00 32.58 29.83 1kee s HIS 59 CO 0.72 -1.41 0.02 0.42 -0.85 0.00 0.00 174.74 173.65 1kee s ILE 60 N 3.51 3.55 0.00 0.60 -1.09 -0.89 -4.55 121.20 122.34 1kee s ILE 60 Ca 0.21 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.85 1kee s ILE 60 Cb -0.18 -2.80 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1kee s ILE 60 CO 0.12 0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.59 1kee n GLY 61 N 4.79 0.80 0.41 6.18 0.00 -1.26 -4.24 105.19 111.87 1kee n GLY 61 Ca -0.16 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.07 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 0.33 -0.33 1.61 2.35 -1.83 -1.83 115.58 115.88 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 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.34 1kee h ASN 62 CO 0.00 0.14 0.00 1.33 -1.65 0.00 0.00 177.43 177.25 1kee n VAL 63 N -4.47 0.48 -4.14 2.81 0.24 -1.26 0.25 118.33 112.23 1kee n VAL 63 Ca 0.18 -0.74 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 1kee n VAL 63 Cb 0.72 0.99 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 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 1.30 0.33 3.23 7.63 0.00 -0.69 -4.11 105.19 112.89 1kee n GLY 64 Ca 0.17 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 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 0.12 -0.17 2.61 -4.23 -0.30 -4.69 115.64 108.97 1kee s THR 65 Ca 0.00 -1.45 -0.28 0.00 -1.18 0.00 0.00 61.69 58.78 1kee s THR 65 Cb 0.00 -1.65 0.09 0.00 1.34 0.00 0.00 72.50 72.28 1kee s THR 65 CO 0.00 -0.54 0.82 0.54 -0.54 0.00 0.00 174.62 174.90 1kee s ASN 66 N -2.93 -0.59 0.42 3.99 2.20 -1.26 0.80 114.94 117.56 1kee s ASN 66 Ca 0.12 0.88 0.15 0.00 -0.94 0.00 0.00 52.86 53.07 1kee s ASN 66 Cb 0.05 0.81 1.02 0.00 -2.00 0.00 0.00 41.25 41.12 1kee s ASN 66 CO -0.05 -0.38 1.92 0.44 -2.94 0.00 0.00 177.10 176.09 1kee h ASP 67 N 3.67 0.42 0.39 3.54 3.45 -1.99 -0.08 116.42 125.83 1kee h ASP 67 Ca -0.26 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.19 1kee h ASP 67 Cb 1.16 -0.06 -0.00 0.00 -0.56 0.00 0.00 39.33 39.86 1kee h ASP 67 CO 0.23 0.22 -0.15 0.00 -1.57 0.00 0.00 179.24 177.97 1kee h ALA 68 N 1.64 1.31 -0.32 3.45 0.00 -1.96 -2.51 119.26 120.87 1kee h ALA 68 Ca 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1kee h ALA 68 Cb 0.79 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1kee h ALA 68 CO -0.12 0.19 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 1kee n ASP 69 N -3.72 3.20 -4.61 0.00 10.43 -0.04 -4.84 116.55 116.97 1kee n ASP 69 Ca -0.02 -2.39 -0.38 0.00 2.57 0.00 0.00 54.79 54.57 1kee n ASP 69 Cb 0.27 -0.53 -0.10 0.00 1.84 0.00 0.00 41.12 42.60 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 -1.83 4.01 0.05 -1.24 2.02 -0.95 -3.02 118.70 117.73 1kee s GLU 70 Ca 0.28 -0.16 0.28 0.00 0.02 0.00 0.00 54.97 55.38 1kee s GLU 70 Cb 0.20 -3.63 1.03 0.00 0.10 0.00 0.00 34.13 31.83 1kee s GLU 70 CO 0.10 -0.16 1.82 0.39 0.02 0.00 0.00 175.26 177.43 1kee n GLU 71 N 4.98 0.07 -3.96 1.61 -0.58 -1.26 -4.87 120.64 116.63 1kee n GLU 71 Ca -0.12 0.05 -0.13 0.00 -0.42 0.00 0.00 57.16 56.54 1kee n GLU 71 Cb 0.52 -1.57 -0.01 0.00 -0.57 0.00 0.00 31.44 29.80 1kee n GLU 71 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1kee n SER 72 N -1.69 -1.75 0.02 1.62 3.41 -1.17 -0.11 113.62 113.95 1kee n SER 72 Ca 0.06 -2.83 0.10 0.00 -0.26 0.00 0.00 58.87 55.94 1kee n SER 72 Cb 0.36 3.10 0.41 0.00 -0.26 0.00 0.00 64.21 67.82 1kee n SER 72 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1kee n SER 73 N -1.58 0.13 -1.20 4.04 3.41 -1.26 -4.90 113.62 112.26 1kee n SER 73 Ca -0.03 0.53 -0.01 0.00 -0.26 0.00 0.00 58.87 59.09 1kee n SER 73 Cb 0.60 -0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 64.00 1kee n SER 73 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1kee n GLN 74 N -1.64 0.09 -3.48 4.33 10.64 -1.26 -5.11 117.38 120.96 1kee n GLN 74 Ca 0.04 -0.27 -0.38 0.00 -1.83 0.00 0.00 57.00 54.56 1kee n GLN 74 Cb 0.23 0.29 -0.10 0.00 -0.86 0.00 0.00 30.24 29.80 1kee n GLN 74 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1kee s VAL 75 N -2.64 5.23 -0.13 -0.39 1.01 -1.26 -4.40 120.40 117.82 1kee s VAL 75 Ca 0.03 0.42 0.18 0.00 0.00 0.00 0.00 61.98 62.61 1kee s VAL 75 Cb -0.00 -3.63 -0.20 0.00 0.00 0.00 0.00 36.38 32.55 1kee s VAL 75 CO 0.02 0.21 0.59 1.41 0.00 0.00 0.00 175.10 177.33 1kee n HIS 76 N 5.10 0.57 -1.71 5.22 -0.00 -0.84 -4.94 115.22 118.62 1kee n HIS 76 Ca -0.11 0.19 -0.43 0.00 -0.00 0.00 0.00 57.72 57.37 1kee n HIS 76 Cb 0.51 -0.95 -0.02 0.00 -0.00 0.00 0.00 29.99 29.53 1kee n HIS 76 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1kee n ALA 77 N -2.44 2.03 -0.00 -1.41 0.00 -1.20 -3.13 120.51 114.35 1kee n ALA 77 Ca -0.13 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 1kee n ALA 77 Cb 0.84 -2.40 0.05 0.00 0.00 0.00 0.00 19.45 17.94 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 5.09 0.59 -2.86 0.00 5.75 -0.48 -3.47 115.11 119.73 1kee h GLN 78 Ca -0.45 -0.37 0.07 0.00 -0.15 0.00 0.00 58.65 57.75 1kee h GLN 78 Cb 1.24 0.04 -0.07 0.00 1.07 0.00 0.00 27.48 29.76 1kee h GLN 78 CO 0.82 0.98 0.28 0.20 -2.65 0.00 0.00 178.83 178.46 1kee s GLY 79 N -4.11 -0.23 -0.08 2.39 0.00 -1.22 -4.43 107.32 99.64 1kee s GLY 79 Ca -0.08 -0.02 0.02 0.00 0.00 0.00 0.00 44.72 44.64 1kee s GLY 79 CO 0.84 -0.01 -0.12 -2.27 0.00 0.00 0.00 173.10 171.55 1kee s LEU 80 N -2.87 1.56 -0.21 0.66 2.96 -1.05 -0.37 118.68 119.36 1kee s LEU 80 Ca 0.09 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 1kee s LEU 80 Cb -0.04 -0.86 0.04 0.00 0.50 0.00 0.00 46.19 45.83 1kee s LEU 80 CO 0.02 -0.00 -0.13 -0.69 -1.32 0.00 0.00 176.35 174.22 1kee s VAL 81 N 0.91 1.89 0.25 1.68 1.01 0.23 -1.40 120.40 124.96 1kee s VAL 81 Ca -0.10 -1.14 0.03 0.00 0.00 0.00 0.00 61.98 60.77 1kee s VAL 81 Cb -0.15 -1.89 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 1kee s VAL 81 CO 0.01 0.23 0.04 0.27 0.00 0.00 0.00 175.10 175.64 1kee s ILE 82 N 1.29 0.87 -0.12 2.22 -4.36 -0.86 -1.63 121.20 118.62 1kee s ILE 82 Ca -0.01 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.20 1kee s ILE 82 Cb -0.16 -2.48 -0.26 0.00 1.25 0.00 0.00 42.46 40.81 1kee s ILE 82 CO -0.09 -0.19 0.51 -0.09 0.24 0.00 0.00 174.94 175.32 1kee h ARG 83 N 2.42 0.21 -3.04 0.37 9.65 -1.77 -2.75 114.38 119.46 1kee h ARG 83 Ca -0.38 -0.36 -0.19 0.00 -1.10 0.00 0.00 59.98 57.95 1kee h ARG 83 Cb 1.23 0.13 -0.29 0.00 -1.39 0.00 0.00 29.97 29.65 1kee h ARG 83 CO 0.64 1.17 -0.48 0.34 2.80 0.00 0.00 179.97 184.44 1kee s ASP 84 N -6.98 -0.26 -0.38 -3.80 2.15 -0.07 -1.41 116.67 105.91 1kee s ASP 84 Ca -0.21 0.52 -0.16 0.00 0.43 0.00 0.00 52.55 53.13 1kee s ASP 84 Cb 0.04 0.42 0.01 0.00 -0.30 0.00 0.00 42.92 43.09 1kee s ASP 84 CO 0.74 -0.15 0.37 -0.22 -0.17 0.00 0.00 175.17 175.73 1kee s LEU 85 N 1.10 4.73 0.63 -1.34 2.96 -1.26 -2.10 118.68 123.40 1kee s LEU 85 Ca -0.08 -0.54 -0.18 0.00 -0.22 0.00 0.00 54.13 53.11 1kee s LEU 85 Cb -0.09 -2.30 -0.03 0.00 0.50 0.00 0.00 46.19 44.27 1kee s LEU 85 CO -0.07 -0.44 1.11 -0.81 -1.32 0.00 0.00 176.35 174.82 1kee n PRO 86 N 5.39 0.97 -0.33 0.98 -0.04 -1.26 -4.89 135.00 135.82 1kee n PRO 86 Ca -0.09 0.38 0.01 0.00 -0.04 0.00 0.00 63.50 63.76 1kee n PRO 86 Cb 0.48 -2.33 0.18 0.00 -0.04 0.00 0.00 33.50 31.79 1kee n PRO 86 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1kee h LEU 87 N 0.45 1.02 -8.35 1.53 4.07 -1.97 -3.44 115.31 108.62 1kee h LEU 87 Ca -0.50 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 57.29 1kee h LEU 87 Cb 1.35 -0.24 -0.15 0.00 1.08 0.00 0.00 40.66 42.71 1kee h LEU 87 CO 0.51 0.70 -0.67 0.27 -1.08 0.00 0.00 178.44 178.18 1kee s ILE 88 N -6.01 0.21 -0.12 1.22 -4.36 -1.26 -5.14 121.20 105.75 1kee s ILE 88 Ca -0.12 -1.87 -0.05 0.00 -0.26 0.00 0.00 60.65 58.35 1kee s ILE 88 Cb 0.19 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1kee s ILE 88 CO 0.81 -0.74 0.08 0.00 0.24 0.00 0.00 174.94 175.33 1kee s ALA 89 N -3.95 3.61 -0.37 2.27 0.00 -1.26 -4.66 121.76 117.41 1kee s ALA 89 Ca 0.15 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.41 1kee s ALA 89 Cb 0.08 -1.80 0.15 0.00 0.00 0.00 0.00 23.12 21.55 1kee s ALA 89 CO -0.04 0.55 0.24 0.45 0.00 0.00 0.00 175.76 176.96 1kee s SER 90 N -0.79 2.65 -0.28 0.00 0.15 0.14 -4.89 113.70 110.68 1kee s SER 90 Ca 0.13 -2.41 -0.22 0.00 0.70 0.00 0.00 55.95 54.15 1kee s SER 90 Cb -0.12 -0.43 0.08 0.00 -1.71 0.00 0.00 66.02 63.84 1kee s SER 90 CO 0.03 -0.28 0.77 0.21 1.20 0.00 0.00 173.24 175.17 1kee s ASN 91 N 0.81 -0.74 0.63 5.45 3.84 -1.26 -4.74 114.94 118.92 1kee s ASN 91 Ca 0.21 1.35 0.35 0.00 0.21 0.00 0.00 52.86 54.99 1kee s ASN 91 Cb -0.17 1.35 1.99 0.00 -0.55 0.00 0.00 41.25 43.87 1kee s ASN 91 CO -0.04 -0.23 2.21 2.19 -2.79 0.00 0.00 177.10 178.44 1kee h PHE 92 N 5.41 0.00 0.00 0.43 -5.15 -1.98 -2.24 116.94 113.41 1kee h PHE 92 Ca -0.29 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.48 1kee h PHE 92 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 1kee h PHE 92 CO 0.28 0.00 -0.41 0.54 -2.00 0.00 0.00 178.31 176.72 1kee n ARG 93 N -3.39 0.12 -1.98 6.09 1.74 -1.26 -4.94 116.66 113.04 1kee n ARG 93 Ca -0.02 0.05 -0.42 0.00 -0.77 0.00 0.00 57.85 56.70 1kee n ARG 93 Cb 0.19 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.01 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 -3.56 6.62 0.00 0.55 2.47 -0.85 -4.54 114.94 115.65 1kee s ASN 94 Ca 0.10 2.65 0.00 0.00 0.42 0.00 0.00 52.86 56.03 1kee s ASN 94 Cb 0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 1kee s ASN 94 CO 0.67 -0.75 0.11 0.35 -3.72 0.00 0.00 177.10 173.75 1kee n THR 95 N 2.96 0.00 -3.64 -5.21 -2.24 0.24 -4.91 114.28 101.47 1kee n THR 95 Ca 0.09 -0.44 -0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1kee n THR 95 Cb 0.40 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.67 0.29 0.63 -0.78 2.12 -1.21 -4.98 118.70 114.11 1kee s GLU 96 Ca 0.00 0.44 -0.18 0.00 0.36 0.00 0.00 54.97 55.59 1kee s GLU 96 Cb 0.00 0.09 -0.02 0.00 0.26 0.00 0.00 34.13 34.46 1kee s GLU 96 CO 0.00 -0.05 1.22 0.16 -0.54 0.00 0.00 175.26 176.05 1kee s ASP 97 N 0.86 4.90 0.14 -1.70 1.47 -1.26 -1.15 116.67 119.92 1kee s ASP 97 Ca -0.04 2.42 -0.26 0.00 1.18 0.00 0.00 52.55 55.85 1kee s ASP 97 Cb -0.04 -2.60 -0.01 0.00 -0.34 0.00 0.00 42.92 39.93 1kee s ASP 97 CO -0.12 -1.79 1.60 0.25 0.68 0.00 0.00 175.17 175.79 1kee h LEU 98 N 0.58 -1.06 -0.51 2.11 5.85 -1.84 0.31 115.31 120.75 1kee h LEU 98 Ca -0.50 0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.47 1kee h LEU 98 Cb 1.30 0.46 -0.07 0.00 0.37 0.00 0.00 40.66 42.72 1kee h LEU 98 CO 0.54 -0.36 0.11 -1.28 -0.34 0.00 0.00 178.44 177.11 1kee h SER 99 N -0.38 0.03 -0.61 1.25 0.87 -1.92 0.31 113.55 113.10 1kee h SER 99 Ca 0.11 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 1kee h SER 99 Cb 0.55 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.60 1kee h SER 99 CO -0.40 0.04 0.38 0.28 -0.53 0.00 0.00 176.83 176.60 1kee h SER 100 N 0.25 0.72 -0.26 6.23 0.02 -1.72 -1.56 113.55 117.24 1kee h SER 100 Ca 0.25 -0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 1kee h SER 100 Cb 0.34 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 1kee h SER 100 CO -0.32 0.56 0.16 0.22 -1.14 0.00 0.00 176.83 176.31 1kee h TYR 101 N 0.82 0.34 -0.23 3.45 3.20 0.11 -1.34 116.97 123.32 1kee h TYR 101 Ca 0.22 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1kee h TYR 101 Cb -0.04 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 1kee h TYR 101 CO -0.02 0.24 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.63 1kee h LEU 102 N 0.33 -0.17 -0.04 2.82 3.38 -0.12 -1.90 115.31 119.61 1kee h LEU 102 Ca 0.09 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1kee h LEU 102 Cb -0.00 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1kee h LEU 102 CO -0.02 -0.06 -0.19 0.11 0.09 0.00 0.00 178.44 178.38 1kee h LYS 103 N 0.02 -0.27 -0.78 1.13 1.57 -1.08 0.11 116.57 117.27 1kee h LYS 103 Ca 0.11 0.02 0.17 0.00 -1.87 0.00 0.00 60.65 59.08 1kee h LYS 103 Cb 0.16 0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 1kee h LYS 103 CO -0.22 -0.18 0.53 -0.09 -0.57 0.00 0.00 179.45 178.91 1kee h ARG 104 N -0.28 0.32 -0.05 3.15 2.43 -0.97 0.19 114.38 119.17 1kee h ARG 104 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1kee h ARG 104 Cb 0.38 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1kee h ARG 104 CO -0.20 0.21 0.00 0.72 -1.51 0.00 0.00 179.97 179.18 1kee n HIS 105 N -4.46 0.04 -3.49 2.20 8.25 -0.68 -4.95 115.22 112.14 1kee n HIS 105 Ca 0.15 -0.02 -0.19 0.00 -0.26 0.00 0.00 57.72 57.40 1kee n HIS 105 Cb 0.62 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.82 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 0.56 -3.30 -4.77 0.41 3.02 0.67 -4.92 115.26 106.93 1kee n ASN 106 Ca 0.17 -0.60 -0.36 0.00 -0.03 0.00 0.00 54.58 53.77 1kee n ASN 106 Cb 0.43 -5.08 -0.08 0.00 -0.61 0.00 0.00 39.78 34.45 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 -3.35 5.24 -0.22 2.41 -1.09 0.17 -4.80 121.20 119.56 1kee s ILE 107 Ca 0.17 0.12 -0.27 0.00 -2.23 0.00 0.00 60.65 58.44 1kee s ILE 107 Cb -0.08 -3.33 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 1kee s ILE 107 CO 0.73 0.53 0.95 -0.69 -1.23 0.00 0.00 174.94 175.24 1kee s VAL 108 N -0.34 4.75 0.02 2.92 1.01 -1.26 0.15 120.40 127.65 1kee s VAL 108 Ca 0.11 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.95 1kee s VAL 108 Cb -0.12 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 1kee s VAL 108 CO 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 175.10 174.95 1kee s ALA 109 N 2.91 0.29 0.01 5.51 0.00 -1.26 -2.54 121.76 126.68 1kee s ALA 109 Ca 0.41 -0.52 0.06 0.00 0.00 0.00 0.00 51.96 51.90 1kee s ALA 109 Cb -0.15 0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.01 1kee s ALA 109 CO 0.08 -0.06 -0.17 -1.50 0.00 0.00 0.00 175.76 174.10 1kee s ILE 110 N -1.08 1.38 0.37 0.00 2.07 -0.50 -0.79 121.20 122.66 1kee s ILE 110 Ca -0.10 -0.91 0.04 0.00 -1.41 0.00 0.00 60.65 58.27 1kee s ILE 110 Cb -0.08 -1.18 -0.05 0.00 0.13 0.00 0.00 42.46 41.28 1kee s ILE 110 CO -0.00 0.25 0.07 0.00 -1.91 0.00 0.00 174.94 173.35 1kee s ALA 111 N -0.60 2.73 -0.81 1.50 0.00 0.18 -2.02 121.76 122.75 1kee s ALA 111 Ca 0.06 -1.72 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 1kee s ALA 111 Cb -0.07 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.64 1kee s ALA 111 CO 0.00 -0.28 0.37 -0.25 0.00 0.00 0.00 175.76 175.61 1kee n ASP 112 N -0.92 -4.02 -4.46 0.00 10.43 -0.50 -0.69 116.55 116.40 1kee n ASP 112 Ca -0.05 -0.17 -0.26 0.00 2.57 0.00 0.00 54.79 56.87 1kee n ASP 112 Cb 0.66 -2.86 -0.11 0.00 1.84 0.00 0.00 41.12 40.65 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 -2.92 2.53 -1.13 0.53 -5.25 -1.23 -4.67 121.20 109.06 1kee s ILE 113 Ca 0.18 -2.01 -0.24 0.00 -0.99 0.00 0.00 60.65 57.60 1kee s ILE 113 Cb -0.08 -2.24 -0.12 0.00 2.95 0.00 0.00 42.46 42.97 1kee s ILE 113 CO 0.23 -0.15 1.99 -0.62 -1.79 0.00 0.00 174.94 174.60 1kee s ASP 114 N -2.81 4.59 0.57 4.36 3.68 -1.26 -4.44 116.67 121.36 1kee s ASP 114 Ca 0.23 -1.39 0.26 0.00 2.13 0.00 0.00 52.55 53.77 1kee s ASP 114 Cb -0.08 -2.59 1.66 0.00 -1.45 0.00 0.00 42.92 40.46 1kee s ASP 114 CO 0.11 -3.53 2.22 0.71 0.13 0.00 0.00 175.17 174.81 1kee h THR 115 N 6.41 0.66 -0.29 1.71 1.35 -1.93 -2.27 112.91 118.55 1kee h THR 115 Ca 0.15 -0.04 -0.10 0.00 -0.55 0.00 0.00 66.41 65.88 1kee h THR 115 Cb 0.96 1.02 -0.01 0.00 -1.73 0.00 0.00 68.15 68.39 1kee h THR 115 CO 1.16 0.01 -0.19 -0.09 -0.25 0.00 0.00 175.52 176.16 1kee h ARG 116 N 0.00 0.65 -0.60 4.72 2.43 -1.91 0.78 114.38 120.44 1kee h ARG 116 Ca -0.00 -0.30 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1kee h ARG 116 Cb 0.02 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1kee h ARG 116 CO 0.00 0.90 0.37 -0.22 -1.51 0.00 0.00 179.97 179.51 1kee h LYS 117 N 0.39 0.81 -0.42 0.20 3.64 -1.82 -0.65 116.57 118.73 1kee h LYS 117 Ca 0.06 -0.07 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1kee h LYS 117 Cb 0.73 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 1kee h LYS 117 CO 0.05 0.58 0.25 1.25 -2.27 0.00 0.00 179.45 179.31 1kee h LEU 118 N 0.82 0.41 -0.08 5.20 5.85 -1.21 -2.12 115.31 124.18 1kee h LEU 118 Ca 0.22 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.94 1kee h LEU 118 Cb -0.03 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1kee h LEU 118 CO -0.04 0.29 0.04 0.74 -0.34 0.00 0.00 178.44 179.13 1kee h THR 119 N 0.51 1.12 0.00 1.05 2.02 -0.46 -2.34 112.91 114.81 1kee h THR 119 Ca 0.17 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1kee h THR 119 Cb 0.01 1.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1kee h THR 119 CO -0.08 0.11 -0.07 0.03 0.37 0.00 0.00 175.52 175.88 1kee h ARG 120 N -0.01 0.00 -0.10 6.66 3.08 -0.98 -1.21 114.38 121.83 1kee h ARG 120 Ca 0.03 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1kee h ARG 120 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1kee h ARG 120 CO -0.00 0.07 -0.08 1.25 -1.07 0.00 0.00 179.97 180.13 1kee h LEU 121 N 0.00 0.25 -0.80 3.04 5.85 -1.19 -0.67 115.31 121.79 1kee h LEU 121 Ca -0.00 -0.46 -0.08 0.00 0.84 0.00 0.00 57.88 58.18 1kee h LEU 121 Cb 0.12 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1kee h LEU 121 CO 0.01 0.66 0.07 -0.07 -0.34 0.00 0.00 178.44 178.77 1kee h LEU 122 N -0.16 0.93 -0.34 2.25 3.38 -1.04 0.41 115.31 120.74 1kee h LEU 122 Ca 0.02 -0.22 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1kee h LEU 122 Cb 0.58 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1kee h LEU 122 CO 0.02 0.95 -0.18 -0.09 0.09 0.00 0.00 178.44 179.23 1kee h ARG 123 N 0.91 0.71 -0.01 1.13 2.43 -1.22 0.42 114.38 118.75 1kee h ARG 123 Ca 0.18 -0.32 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 1kee h ARG 123 Cb 0.44 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1kee h ARG 123 CO 0.01 0.93 -0.02 0.93 -1.51 0.00 0.00 179.97 180.31 1kee h GLU 124 N 0.49 0.03 -0.05 0.20 4.39 -0.86 -3.33 114.58 115.45 1kee h GLU 124 Ca 0.07 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1kee h GLU 124 Cb 0.72 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1kee h GLU 124 CO 0.05 0.54 0.00 1.63 -1.16 0.00 0.00 179.01 180.08 1kee n LYS 125 N -4.81 2.07 0.00 2.33 5.02 0.14 -5.08 118.16 117.83 1kee n LYS 125 Ca -0.08 -1.84 0.00 0.00 -2.02 0.00 0.00 58.31 54.37 1kee n LYS 125 Cb 0.28 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 1.25 -1.21 3.40 0.72 0.00 0.15 -4.96 105.19 104.53 1kee n GLY 126 Ca 0.13 -1.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 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 -1.26 -2.14 -2.93 4.61 0.00 -0.00 -4.56 120.51 114.24 1kee n ALA 127 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 1kee n ALA 127 Cb 0.00 -1.75 -0.09 0.00 0.00 0.00 0.00 19.45 17.62 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 -2.66 0.66 0.16 0.00 -0.21 -1.26 -5.02 119.66 111.34 1kee s GLN 128 Ca 0.61 -0.56 -0.07 0.00 0.02 0.00 0.00 55.36 55.36 1kee s GLN 128 Cb -0.33 0.28 -0.06 0.00 1.00 0.00 0.00 33.01 33.90 1kee s GLN 128 CO 0.62 -0.19 0.43 -0.80 -2.12 0.00 0.00 175.29 173.24 1kee s ASN 129 N -1.93 6.55 0.37 5.90 0.01 -1.26 0.46 114.94 125.04 1kee s ASN 129 Ca -0.07 0.72 -0.04 0.00 -0.71 0.00 0.00 52.86 52.76 1kee s ASN 129 Cb -0.02 -2.14 0.02 0.00 0.41 0.00 0.00 41.25 39.51 1kee s ASN 129 CO -0.02 0.03 0.56 -0.83 -1.51 0.00 0.00 177.10 175.32 1kee s GLY 130 N -2.33 1.36 -0.11 0.66 0.00 0.56 -0.50 107.32 106.97 1kee s GLY 130 Ca 0.42 -1.42 -0.08 0.00 0.00 0.00 0.00 44.72 43.64 1kee s GLY 130 CO 0.23 -0.88 0.27 0.00 0.00 0.00 0.00 173.10 172.72 1kee s ILE 132 N 0.56 3.39 -0.12 0.00 1.01 -0.09 0.24 121.20 126.18 1kee s ILE 132 Ca -0.03 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.07 1kee s ILE 132 Cb -0.05 -2.42 0.02 0.00 0.01 0.00 0.00 42.46 40.02 1kee s ILE 132 CO -0.03 0.54 -0.13 -0.63 0.00 0.00 0.00 174.94 174.68 1kee s ILE 133 N 0.04 1.41 -0.24 2.92 1.01 0.20 -0.62 121.20 125.92 1kee s ILE 133 Ca -0.03 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.09 1kee s ILE 133 Cb -0.14 -1.33 0.05 0.00 0.01 0.00 0.00 42.46 41.06 1kee s ILE 133 CO 0.04 0.43 -0.12 0.00 0.00 0.00 0.00 174.94 175.29 1kee s ALA 134 N 1.31 2.44 -0.01 9.38 0.00 0.53 -0.02 121.76 135.39 1kee s ALA 134 Ca -0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 51.96 50.26 1kee s ALA 134 Cb -0.14 -1.49 0.03 0.00 0.00 0.00 0.00 23.12 21.53 1kee s ALA 134 CO -0.06 -1.04 0.42 0.41 0.00 0.00 0.00 175.76 175.49 1kee n GLY 135 N 4.50 0.48 0.34 0.00 0.00 -1.02 -1.48 105.19 108.01 1kee n GLY 135 Ca -0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 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 0.65 -1.09 -2.45 1.61 3.45 -1.95 -3.33 116.42 113.30 1kee h ASP 136 Ca -0.07 0.18 -0.59 0.00 0.43 0.00 0.00 57.03 56.98 1kee h ASP 136 Cb 0.38 0.49 -0.39 0.00 -0.56 0.00 0.00 39.33 39.26 1kee h ASP 136 CO 0.10 -0.33 -0.90 0.59 -1.57 0.00 0.00 179.24 177.12 1kee n ASN 137 N -5.41 0.39 -4.66 6.45 4.13 -1.26 -4.75 115.26 110.14 1kee n ASN 137 Ca -0.00 -2.60 -0.51 0.00 1.68 0.00 0.00 54.58 53.15 1kee n ASN 137 Cb 0.34 -0.60 -0.05 0.00 -1.54 0.00 0.00 39.78 37.92 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 2.44 1.71 -3.03 3.52 -0.02 -1.25 -4.91 135.00 133.46 1kee n PRO 138 Ca 0.27 0.62 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 1kee n PRO 138 Cb 0.46 -2.36 -0.05 0.00 -0.02 0.00 0.00 33.50 31.52 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 2.32 6.26 0.14 2.55 2.15 -1.26 -4.96 116.67 123.86 1kee s ASP 139 Ca 0.88 -0.73 -0.20 0.00 0.43 0.00 0.00 52.55 52.93 1kee s ASP 139 Cb -0.83 -2.35 0.01 0.00 -0.30 0.00 0.00 42.92 39.45 1kee s ASP 139 CO 0.50 -1.04 1.68 0.00 -0.17 0.00 0.00 175.17 176.14 1kee h ALA 140 N 9.13 0.08 -0.29 3.66 0.00 -1.99 -0.50 119.26 129.35 1kee h ALA 140 Ca -0.27 0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.79 1kee h ALA 140 Cb 1.09 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 19.08 1kee h ALA 140 CO 1.02 -0.53 -0.09 0.00 0.00 0.00 0.00 179.25 179.65 1kee h ALA 141 N 1.11 0.17 -0.54 0.00 0.00 -1.99 0.15 119.26 118.15 1kee h ALA 141 Ca 0.12 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.21 1kee h ALA 141 Cb 0.27 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1kee h ALA 141 CO -0.28 -0.48 0.23 1.25 0.00 0.00 0.00 179.25 179.97 1kee h LEU 142 N -0.03 0.28 -0.67 0.00 5.85 -1.87 -0.27 115.31 118.60 1kee h LEU 142 Ca 0.14 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1kee h LEU 142 Cb 0.24 0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1kee h LEU 142 CO -0.31 0.19 0.43 0.00 -0.34 0.00 0.00 178.44 178.40 1kee h ALA 143 N 1.34 0.87 -0.85 1.25 0.00 0.06 -0.94 119.26 120.98 1kee h ALA 143 Ca 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1kee h ALA 143 Cb 0.24 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 1kee h ALA 143 CO -0.23 0.22 0.56 1.25 0.00 0.00 0.00 179.25 181.05 1kee h LEU 144 N 0.85 0.96 -0.00 0.00 5.85 0.14 -2.27 115.31 120.84 1kee h LEU 144 Ca 0.26 -0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1kee h LEU 144 Cb -0.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 1kee h LEU 144 CO -0.09 0.68 -0.27 -0.08 -0.34 0.00 0.00 178.44 178.34 1kee h GLU 145 N 1.13 -0.40 -0.22 1.25 4.81 0.21 -0.61 114.58 120.75 1kee h GLU 145 Ca 0.32 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.52 1kee h GLU 145 Cb -0.09 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1kee h GLU 145 CO -0.08 -0.26 -0.12 0.87 -0.73 0.00 0.00 179.01 178.68 1kee h LYS 146 N -0.41 0.35 0.04 1.92 1.57 -1.17 -1.10 116.57 117.77 1kee h LYS 146 Ca 0.06 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1kee h LYS 146 Cb 0.50 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1kee h LYS 146 CO -0.24 0.49 -0.02 0.00 -0.57 0.00 0.00 179.45 179.11 1kee h ALA 147 N 1.54 -0.05 -0.93 3.86 0.00 -1.01 -2.43 119.26 120.24 1kee h ALA 147 Ca 0.07 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1kee h ALA 147 Cb 0.43 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 1kee h ALA 147 CO 0.02 -0.33 0.61 0.00 0.00 0.00 0.00 179.25 179.56 1kee h ARG 148 N -0.45 1.09 0.00 0.00 3.08 -1.00 -1.84 114.38 115.26 1kee h ARG 148 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1kee h ARG 148 Cb 0.41 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1kee h ARG 148 CO 0.01 0.72 0.00 0.00 -1.07 0.00 0.00 179.97 179.63 1kee n ALA 149 N -2.39 2.06 -1.72 0.04 0.00 -0.43 -4.83 120.51 113.24 1kee n ALA 149 Ca 0.13 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1kee n ALA 149 Cb 0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 19.45 18.14 1kee n ALA 149 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1kee n PHE 150 N -2.04 2.75 -0.06 0.00 -0.00 -0.69 -4.88 117.46 112.55 1kee n PHE 150 Ca 0.05 0.10 0.01 0.00 -0.00 0.00 0.00 57.45 57.60 1kee n PHE 150 Cb 0.33 -2.65 0.31 0.00 -0.00 0.00 0.00 39.48 37.47 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 6.28 0.66 0.00 -7.13 0.11 -1.88 -3.49 132.00 126.54 1kee h PRO 151 Ca -0.44 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1kee h PRO 151 Cb 1.21 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1kee h PRO 151 CO 0.92 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.66 1kee n GLY 152 N -1.15 2.17 0.20 -0.55 0.00 -1.26 -4.78 105.19 99.82 1kee n GLY 152 Ca 0.03 -1.72 0.10 0.00 0.00 0.00 0.00 46.02 44.43 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 -9.49 0.99 4.07 -1.96 -3.41 115.31 105.51 1kee h LEU 153 Ca 0.00 0.00 -0.53 0.00 0.08 0.00 0.00 57.88 57.43 1kee h LEU 153 Cb 0.00 0.00 0.04 0.00 1.08 0.00 0.00 40.66 41.78 1kee h LEU 153 CO 0.00 0.17 1.14 0.21 -1.08 0.00 0.00 178.44 178.88 1kee s ASN 154 N -6.23 6.41 -0.36 -0.43 3.04 -1.26 -0.88 114.94 115.23 1kee s ASN 154 Ca 0.05 2.76 0.00 0.00 0.04 0.00 0.00 52.86 55.71 1kee s ASN 154 Cb 0.07 -2.56 0.00 0.00 -1.54 0.00 0.00 41.25 37.22 1kee s ASN 154 CO 0.68 -1.02 0.00 0.61 -3.04 0.00 0.00 177.10 174.32 1kee n GLY 155 N 4.31 0.64 3.56 1.21 0.00 -1.26 -5.00 105.19 108.64 1kee n GLY 155 Ca 0.18 -0.53 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.75 3.88 -0.62 1.61 0.00 -0.06 -4.86 119.30 117.51 1kee s MET 156 Ca 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 55.69 55.10 1kee s MET 156 Cb 0.00 -3.57 0.05 0.00 0.00 0.00 0.00 34.83 31.32 1kee s MET 156 CO 0.00 -0.17 0.97 0.34 0.00 0.00 0.00 175.02 176.16 1kee s ASP 157 N 1.69 6.24 0.01 1.11 3.68 -1.26 -0.29 116.67 127.85 1kee s ASP 157 Ca 0.07 -0.67 0.22 0.00 2.13 0.00 0.00 52.55 54.30 1kee s ASP 157 Cb -0.16 -2.44 -0.26 0.00 -1.45 0.00 0.00 42.92 38.62 1kee s ASP 157 CO 0.09 -1.37 0.62 0.18 0.13 0.00 0.00 175.17 174.82 1kee n LEU 158 N 7.71 0.23 -0.31 -1.34 4.77 -1.25 -4.38 117.00 122.43 1kee n LEU 158 Ca -0.01 0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1kee n LEU 158 Cb 0.47 -0.01 0.25 0.00 -2.33 0.00 0.00 43.42 41.79 1kee n LEU 158 CO 0.64 -0.01 1.25 0.00 -1.33 0.00 0.00 177.39 177.94 1kee h ALA 159 N 2.09 1.54 0.00 -1.18 0.00 -1.80 -0.53 119.26 119.37 1kee h ALA 159 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1kee h ALA 159 Cb 0.95 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1kee h ALA 159 CO 0.00 0.30 -0.19 1.57 0.00 0.00 0.00 179.25 180.93 1kee h LYS 160 N 1.00 0.00 -0.00 0.00 2.10 -1.91 -2.47 116.57 115.29 1kee h LYS 160 Ca 0.41 0.00 -0.18 0.00 -2.00 0.00 0.00 60.65 58.88 1kee h LYS 160 Cb 0.28 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 1kee h LYS 160 CO -0.17 0.19 -0.83 0.93 -2.00 0.00 0.00 179.45 177.58 1kee h GLU 161 N 0.00 0.11 -0.01 0.07 4.39 -1.33 -3.34 114.58 114.48 1kee h GLU 161 Ca -0.00 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.58 1kee h GLU 161 Cb 0.65 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1kee h GLU 161 CO 0.03 0.88 -0.33 1.33 -1.16 0.00 0.00 179.01 179.75 1kee n VAL 162 N -3.64 0.00 -1.38 3.13 0.24 -1.09 -5.01 118.33 110.58 1kee n VAL 162 Ca -0.02 -0.33 -0.33 0.00 -2.04 0.00 0.00 64.34 61.61 1kee n VAL 162 Cb 0.78 1.12 0.09 0.00 -1.47 0.00 0.00 33.84 34.37 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 -1.73 2.52 0.42 3.34 -1.32 -0.94 -4.67 115.64 113.27 1kee s THR 163 Ca 0.10 0.23 -0.25 0.00 -1.21 0.00 0.00 61.69 60.56 1kee s THR 163 Cb 0.10 -2.71 -0.08 0.00 -1.51 0.00 0.00 72.50 68.30 1kee s THR 163 CO 0.36 -0.16 1.25 0.28 -2.21 0.00 0.00 174.62 174.15 1kee s THR 164 N -2.20 2.78 0.02 5.08 -1.32 -1.26 -4.96 115.64 113.78 1kee s THR 164 Ca 0.71 0.66 -0.29 0.00 -1.21 0.00 0.00 61.69 61.56 1kee s THR 164 Cb -0.26 -3.37 -0.16 0.00 -1.51 0.00 0.00 72.50 67.20 1kee s THR 164 CO 0.47 0.06 1.24 0.00 -2.21 0.00 0.00 174.62 174.18 1kee h ALA 165 N 2.47 -0.96 -3.24 11.08 0.00 -1.99 -3.39 119.26 123.23 1kee h ALA 165 Ca -0.49 -0.22 -0.66 0.00 0.00 0.00 0.00 54.91 53.54 1kee h ALA 165 Cb 1.25 0.37 -0.18 0.00 0.00 0.00 0.00 17.79 19.23 1kee h ALA 165 CO 0.62 -0.93 -0.81 -1.21 0.00 0.00 0.00 179.25 176.92 1kee s GLU 166 N -5.00 1.59 0.95 0.00 2.02 -1.26 -4.85 118.70 112.14 1kee s GLU 166 Ca -0.15 -1.47 -0.10 0.00 0.02 0.00 0.00 54.97 53.27 1kee s GLU 166 Cb 0.02 -1.90 0.16 0.00 0.10 0.00 0.00 34.13 32.51 1kee s GLU 166 CO 0.48 0.41 1.13 0.00 0.02 0.00 0.00 175.26 177.31 1kee s ALA 167 N -1.61 1.23 0.16 5.21 0.00 -1.26 -4.83 121.76 120.66 1kee s ALA 167 Ca 0.21 0.53 -0.25 0.00 0.00 0.00 0.00 51.96 52.45 1kee s ALA 167 Cb -0.08 -3.43 0.06 0.00 0.00 0.00 0.00 23.12 19.66 1kee s ALA 167 CO 0.10 -2.91 0.87 1.52 0.00 0.00 0.00 175.76 175.34 1kee s TYR 168 N -2.62 -0.21 -0.08 0.00 1.13 -0.65 -4.97 117.35 109.95 1kee s TYR 168 Ca 0.67 -0.10 0.02 0.00 -1.41 0.00 0.00 57.07 56.25 1kee s TYR 168 Cb -0.23 0.63 -0.02 0.00 -1.10 0.00 0.00 41.96 41.24 1kee s TYR 168 CO 0.59 -0.87 -0.11 0.45 -2.51 0.00 0.00 175.55 173.09 1kee s SER 169 N -2.85 4.25 -0.09 -0.18 0.15 -1.26 0.15 113.70 113.86 1kee s SER 169 Ca 0.10 -0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.62 1kee s SER 169 Cb -0.02 -1.17 0.00 0.00 -1.71 0.00 0.00 66.02 63.12 1kee s SER 169 CO 0.00 0.30 -0.22 0.86 1.20 0.00 0.00 173.24 175.38 1kee s TRP 170 N -0.44 2.33 -0.01 3.44 -0.11 -1.00 -4.97 118.94 118.18 1kee s TRP 170 Ca 0.06 -0.91 0.02 0.00 1.22 0.00 0.00 56.10 56.48 1kee s TRP 170 Cb -0.12 -1.57 0.03 0.00 -1.50 0.00 0.00 33.47 30.31 1kee s TRP 170 CO 0.02 -0.37 1.01 0.25 -4.62 0.00 0.00 176.95 173.25 1kee n THR 171 N 3.51 0.09 -3.53 5.86 -2.24 -1.26 -1.49 114.28 115.22 1kee n THR 171 Ca -0.20 -0.15 -0.37 0.00 -2.27 0.00 0.00 64.05 61.06 1kee n THR 171 Cb 0.53 0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 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 -0.14 4.02 0.46 -0.78 0.74 -1.26 -1.14 119.66 121.55 1kee s GLN 172 Ca 0.03 0.27 -0.03 0.00 0.05 0.00 0.00 55.36 55.68 1kee s GLN 172 Cb 0.03 -3.30 0.10 0.00 1.10 0.00 0.00 33.01 30.93 1kee s GLN 172 CO -0.00 0.50 0.62 0.41 -0.55 0.00 0.00 175.29 176.27 1kee n GLY 173 N 2.48 0.18 3.79 2.59 0.00 -1.26 -3.90 105.19 109.07 1kee n GLY 173 Ca -0.13 -1.92 -0.33 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.46 5.73 0.56 1.61 0.01 -1.25 -4.53 113.70 112.36 1kee s SER 174 Ca 0.40 1.91 -0.17 0.00 1.31 0.00 0.00 55.95 59.40 1kee s SER 174 Cb -0.02 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.61 1kee s SER 174 CO 0.27 -1.21 1.04 0.86 0.41 0.00 0.00 173.24 174.61 1kee s TRP 175 N -2.28 3.09 0.07 2.43 -0.00 -1.26 -4.20 118.94 116.79 1kee s TRP 175 Ca 0.66 1.51 0.04 0.00 -0.00 0.00 0.00 56.10 58.31 1kee s TRP 175 Cb -0.18 -2.97 -0.03 0.00 -0.00 0.00 0.00 33.47 30.30 1kee s TRP 175 CO 0.34 -0.90 -0.12 0.95 -0.00 0.00 0.00 176.95 177.22 1kee s THR 176 N -2.42 0.92 0.15 5.86 -4.23 0.35 -4.92 115.64 111.36 1kee s THR 176 Ca 0.63 -1.28 -0.16 0.00 -1.18 0.00 0.00 61.69 59.69 1kee s THR 176 Cb -0.15 -0.97 0.01 0.00 1.34 0.00 0.00 72.50 72.73 1kee s THR 176 CO 0.33 -0.32 1.76 0.25 -0.54 0.00 0.00 174.62 176.11 1kee h LEU 177 N 4.25 0.18 0.04 4.79 5.85 -1.98 0.78 115.31 129.23 1kee h LEU 177 Ca -0.39 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.36 1kee h LEU 177 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1kee h LEU 177 CO 0.42 0.14 -0.02 0.74 -0.34 0.00 0.00 178.44 179.38 1kee h THR 178 N 0.30 1.22 -0.10 1.05 2.02 -2.04 -3.34 112.91 112.02 1kee h THR 178 Ca 0.15 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.50 1kee h THR 178 Cb 0.10 1.77 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 1kee h THR 178 CO -0.14 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1kee n GLY 179 N -0.12 1.12 7.00 2.16 0.00 -1.16 -5.08 105.19 109.12 1kee n GLY 179 Ca -0.08 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1kee n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kee n GLY 180 N 1.37 0.90 3.68 -0.02 0.00 0.27 -4.39 105.19 107.00 1kee n GLY 180 Ca 0.15 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 45.06 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 4.19 0.89 0.99 1.43 -1.26 -0.50 118.68 124.42 1kee s LEU 181 Ca 0.00 1.51 -0.12 0.00 -1.03 0.00 0.00 54.13 54.49 1kee s LEU 181 Cb 0.00 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.79 1kee s LEU 181 CO 0.00 -0.56 1.09 -2.16 0.23 0.00 0.00 176.35 174.96 1kee s PRO 182 N 2.54 1.32 0.15 1.29 0.04 -1.26 -5.01 135.00 134.07 1kee s PRO 182 Ca 0.48 0.77 -0.30 0.00 0.04 0.00 0.00 61.00 61.99 1kee s PRO 182 Cb -0.18 -1.82 -0.07 0.00 0.04 0.00 0.00 34.50 32.47 1kee s PRO 182 CO 0.14 -2.19 1.07 -1.21 0.04 0.00 0.00 177.00 174.85 1kee s GLU 183 N -4.97 4.61 0.18 4.56 2.02 -1.26 -4.77 118.70 119.07 1kee s GLU 183 Ca 0.63 1.64 -0.33 0.00 0.02 0.00 0.00 54.97 56.93 1kee s GLU 183 Cb -0.17 -3.31 -0.15 0.00 0.10 0.00 0.00 34.13 30.60 1kee s GLU 183 CO 0.57 0.09 1.36 0.00 0.02 0.00 0.00 175.26 177.30 1kee n ALA 184 N 2.59 0.27 -1.27 5.21 0.00 -1.26 -4.77 120.51 121.28 1kee n ALA 184 Ca 0.03 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.62 1kee n ALA 184 Cb 0.47 -2.18 0.12 0.00 0.00 0.00 0.00 19.45 17.86 1kee n ALA 184 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1kee s LYS 185 N 0.01 1.57 -0.09 0.00 1.02 -0.29 -4.95 119.74 117.01 1kee s LYS 185 Ca 0.74 0.85 -0.18 0.00 0.02 0.00 0.00 55.97 57.40 1kee s LYS 185 Cb -0.76 -1.84 -0.04 0.00 -0.52 0.00 0.00 37.83 34.66 1kee s LYS 185 CO 0.48 -2.03 0.49 0.15 -0.92 0.00 0.00 175.35 173.51 1kee s LYS 186 N -4.96 4.30 0.29 1.68 3.01 -1.26 -4.80 119.74 118.00 1kee s LYS 186 Ca 0.63 0.49 0.00 0.00 -1.01 0.00 0.00 55.97 56.08 1kee s LYS 186 Cb -0.17 -3.40 0.68 0.00 -1.01 0.00 0.00 37.83 33.93 1kee s LYS 186 CO 0.56 0.24 1.48 0.39 0.51 0.00 0.00 175.35 178.54 1kee n GLU 187 N 3.36 -0.08 0.07 1.68 1.02 -1.26 0.14 120.64 125.57 1kee n GLU 187 Ca -0.08 1.43 0.06 0.00 -0.02 0.00 0.00 57.16 58.55 1kee n GLU 187 Cb 0.52 -2.25 0.29 0.00 -0.02 0.00 0.00 31.44 29.97 1kee n GLU 187 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1kee n ASP 188 N -5.43 0.27 0.11 1.62 3.85 -1.26 -1.29 116.55 114.42 1kee n ASP 188 Ca 0.21 0.62 0.01 0.00 -0.71 0.00 0.00 54.79 54.92 1kee n ASP 188 Cb 0.69 -0.65 -0.02 0.00 -1.35 0.00 0.00 41.12 39.79 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 0.00 -5.39 0.11 5.08 0.79 -3.44 114.58 111.73 1kee h GLU 189 Ca 0.00 0.00 -0.61 0.00 -1.00 0.00 0.00 59.36 57.75 1kee h GLU 189 Cb 0.04 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.16 1kee h GLU 189 CO 0.00 0.51 -0.05 -0.51 -1.00 0.00 0.00 179.01 177.96 1kee s LEU 190 N -6.34 4.08 0.04 1.33 1.43 -0.41 -5.00 118.68 113.82 1kee s LEU 190 Ca 0.02 0.54 -0.32 0.00 -1.03 0.00 0.00 54.13 53.34 1kee s LEU 190 Cb 0.08 -2.65 -0.18 0.00 0.03 0.00 0.00 46.19 43.47 1kee s LEU 190 CO 0.77 -0.24 1.38 -0.65 0.23 0.00 0.00 176.35 177.84 1kee h PRO 191 N 7.84 -1.05 -6.66 1.29 0.11 -1.80 -3.45 132.00 128.29 1kee h PRO 191 Ca -0.31 0.07 -0.44 0.00 0.11 0.00 0.00 66.00 65.43 1kee h PRO 191 Cb 1.15 0.24 0.03 0.00 0.11 0.00 0.00 31.00 32.53 1kee h PRO 191 CO 0.72 -0.69 -0.13 -0.06 -0.21 0.00 0.00 178.00 177.63 1kee s PHE 192 N -5.42 3.03 -0.23 0.65 0.40 -0.20 -4.97 117.98 111.25 1kee s PHE 192 Ca -0.17 0.00 -0.00 0.00 -0.60 0.00 0.00 56.93 56.16 1kee s PHE 192 Cb 0.02 -2.43 0.06 0.00 0.51 0.00 0.00 43.02 41.19 1kee s PHE 192 CO 0.53 -0.49 -0.01 -1.58 0.70 0.00 0.00 175.22 174.37 1kee s HIS 193 N -2.54 1.96 0.05 0.36 5.65 -1.26 -0.53 115.29 118.97 1kee s HIS 193 Ca 0.52 -1.50 0.02 0.00 0.25 0.00 0.00 55.06 54.35 1kee s HIS 193 Cb -0.10 -1.44 -0.04 0.00 -1.18 0.00 0.00 32.58 29.82 1kee s HIS 193 CO 0.36 -0.73 0.05 0.08 -0.65 0.00 0.00 174.74 173.85 1kee s VAL 194 N 1.54 4.43 -0.25 0.89 1.01 0.14 -0.70 120.40 127.46 1kee s VAL 194 Ca -0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 1kee s VAL 194 Cb -0.18 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.11 1kee s VAL 194 CO -0.08 0.23 0.02 -0.69 0.00 0.00 0.00 175.10 174.58 1kee s VAL 195 N -1.27 3.79 -0.21 2.92 1.01 -0.38 -1.69 120.40 124.57 1kee s VAL 195 Ca 0.25 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 1kee s VAL 195 Cb -0.12 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1kee s VAL 195 CO 0.17 0.29 -0.01 0.00 0.00 0.00 0.00 175.10 175.55 1kee s ALA 196 N 1.52 2.95 0.02 5.51 0.00 -0.42 -0.18 121.76 131.15 1kee s ALA 196 Ca 0.05 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.65 1kee s ALA 196 Cb -0.15 -1.75 -0.04 0.00 0.00 0.00 0.00 23.12 21.18 1kee s ALA 196 CO 0.00 -0.25 0.97 0.71 0.00 0.00 0.00 175.76 177.19 1kee s TYR 197 N 1.18 3.69 -0.53 0.00 1.51 0.27 -0.05 117.35 123.42 1kee s TYR 197 Ca 0.03 1.71 -0.17 0.00 -1.01 0.00 0.00 57.07 57.63 1kee s TYR 197 Cb -0.15 -3.10 0.09 0.00 -0.11 0.00 0.00 41.96 38.70 1kee s TYR 197 CO 0.01 0.03 0.55 0.34 -1.11 0.00 0.00 175.55 175.37 1kee s ASP 198 N 0.82 6.18 -0.21 2.29 3.68 0.77 -2.80 116.67 127.41 1kee s ASP 198 Ca 0.51 -1.40 0.15 0.00 2.13 0.00 0.00 52.55 53.94 1kee s ASP 198 Cb -0.21 -2.24 0.64 0.00 -1.45 0.00 0.00 42.92 39.65 1kee s ASP 198 CO 0.28 -0.88 1.55 0.49 0.13 0.00 0.00 175.17 176.75 1kee n PHE 199 N 5.71 1.41 0.00 -5.34 3.72 -1.26 -3.38 117.46 118.31 1kee n PHE 199 Ca -0.11 -0.85 0.00 0.00 -0.05 0.00 0.00 57.45 56.44 1kee n PHE 199 Cb 0.43 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.12 0.72 3.73 1.37 0.00 -1.17 -3.71 105.19 106.01 1kee n GLY 200 Ca 0.25 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.27 3.70 0.03 4.61 0.00 -1.24 -4.31 121.76 123.27 1kee s ALA 201 Ca 0.00 1.36 -0.30 0.00 0.00 0.00 0.00 51.96 53.02 1kee s ALA 201 Cb 0.00 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.49 1kee s ALA 201 CO 0.00 -0.78 0.99 0.15 0.00 0.00 0.00 175.76 176.12 1kee s LYS 202 N 0.25 4.59 0.54 0.00 1.02 -1.26 -4.84 119.74 120.03 1kee s LYS 202 Ca 0.64 1.45 0.24 0.00 0.02 0.00 0.00 55.97 58.32 1kee s LYS 202 Cb -0.43 -3.43 1.41 0.00 -0.52 0.00 0.00 37.83 34.86 1kee s LYS 202 CO 0.39 0.00 2.05 0.00 -0.92 0.00 0.00 175.35 176.87 1kee h ARG 203 N 6.49 0.00 0.00 1.68 3.08 -0.85 -1.43 114.38 123.36 1kee h ARG 203 Ca -0.42 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 59.59 1kee h ARG 203 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 1kee h ARG 203 CO 0.75 0.00 -0.21 -0.97 -1.07 0.00 0.00 179.97 178.47 1kee h ASN 204 N 0.00 0.00 -0.16 7.04 -1.24 -1.92 -1.44 115.58 117.85 1kee h ASN 204 Ca 0.16 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.15 1kee h ASN 204 Cb 0.67 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.71 1kee h ASN 204 CO -0.00 0.21 0.02 0.40 -1.29 0.00 0.00 177.43 176.76 1kee h ILE 205 N 0.00 1.23 -0.39 2.57 2.04 -1.59 -0.57 117.51 120.80 1kee h ILE 205 Ca -0.00 -0.75 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 1kee h ILE 205 Cb 0.48 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1kee h ILE 205 CO 0.03 0.22 0.24 -0.07 0.00 0.00 0.00 178.15 178.57 1kee h LEU 206 N 0.04 0.47 -0.50 1.44 3.38 -1.56 -1.32 115.31 117.27 1kee h LEU 206 Ca 0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1kee h LEU 206 Cb 0.32 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1kee h LEU 206 CO 0.00 0.38 0.23 0.03 0.09 0.00 0.00 178.44 179.18 1kee h ARG 207 N 0.52 0.72 0.00 1.13 3.08 -1.20 -0.99 114.38 117.65 1kee h ARG 207 Ca 0.14 -0.11 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 1kee h ARG 207 Cb -0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.92 1kee h ARG 207 CO -0.03 0.62 -0.18 0.52 -1.07 0.00 0.00 179.97 179.83 1kee h MET 208 N 0.66 0.00 -0.19 0.04 2.86 -0.91 -0.76 114.93 116.63 1kee h MET 208 Ca 0.17 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.67 1kee h MET 208 Cb 0.14 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1kee h MET 208 CO -0.02 0.18 -0.44 -0.07 1.06 0.00 0.00 176.91 177.62 1kee h LEU 209 N 0.00 0.71 -0.80 1.22 3.38 -0.67 -2.91 115.31 116.24 1kee h LEU 209 Ca -0.00 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1kee h LEU 209 Cb 0.67 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1kee h LEU 209 CO 0.02 1.15 0.52 0.58 0.09 0.00 0.00 178.44 180.80 1kee h VAL 210 N 0.30 1.16 -0.31 1.22 2.07 -0.67 0.84 116.25 120.86 1kee h VAL 210 Ca -0.00 -0.35 0.09 0.00 0.82 0.00 0.00 66.70 67.25 1kee h VAL 210 Cb 1.05 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1kee h VAL 210 CO 0.10 0.19 0.28 0.44 0.02 0.00 0.00 177.57 178.59 1kee h ASP 211 N 1.03 0.00 -0.07 0.57 3.32 -1.05 0.47 116.42 120.69 1kee h ASP 211 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1kee h ASP 211 Cb -0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.50 1kee h ASP 211 CO -0.09 0.00 0.00 0.54 -1.72 0.00 0.00 179.24 177.97 1kee n ARG 212 N -4.04 1.67 -0.37 3.56 1.74 0.27 -4.91 116.66 114.58 1kee n ARG 212 Ca 0.05 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.14 1kee n ARG 212 Cb 0.44 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.43 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 1.15 1.58 3.52 -0.13 0.00 0.16 -4.95 105.19 106.52 1kee n GLY 213 Ca 0.18 -0.15 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.86 3.60 0.24 0.00 1.70 0.31 -4.13 118.95 119.81 1kee s ARG 215 Ca 0.12 -0.54 0.06 0.00 -0.47 0.00 0.00 55.73 54.90 1kee s ARG 215 Cb -0.11 -2.98 -0.03 0.00 -0.57 0.00 0.00 34.95 31.26 1kee s ARG 215 CO 0.02 0.08 0.27 -0.51 -1.08 0.00 0.00 175.30 174.08 1kee s LEU 216 N 0.78 4.05 -0.25 -1.89 1.43 -0.56 -0.68 118.68 121.56 1kee s LEU 216 Ca -0.01 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1kee s LEU 216 Cb -0.14 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.57 1kee s LEU 216 CO 0.02 -0.04 0.09 -0.89 0.23 0.00 0.00 176.35 175.76 1kee s THR 217 N -2.04 0.30 -0.06 5.49 2.01 -0.68 -2.37 115.64 118.29 1kee s THR 217 Ca 0.33 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1kee s THR 217 Cb -0.09 -1.08 -0.02 0.00 0.01 0.00 0.00 72.50 71.32 1kee s THR 217 CO 0.27 -0.51 0.99 -0.63 -0.69 0.00 0.00 174.62 174.05 1kee s ILE 218 N 1.93 4.83 0.08 1.82 -1.09 0.39 -1.31 121.20 127.85 1kee s ILE 218 Ca 0.05 2.03 0.08 0.00 -2.23 0.00 0.00 60.65 60.59 1kee s ILE 218 Cb -0.17 -4.31 -0.03 0.00 -1.58 0.00 0.00 42.46 36.37 1kee s ILE 218 CO -0.22 0.08 -0.21 0.68 -1.23 0.00 0.00 174.94 174.03 1kee s VAL 219 N 1.56 1.75 0.75 2.92 -7.23 0.93 -1.63 120.40 119.45 1kee s VAL 219 Ca 0.49 -1.44 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 1kee s VAL 219 Cb -0.19 -1.56 0.03 0.00 0.56 0.00 0.00 36.38 35.21 1kee s VAL 219 CO 0.22 0.06 1.05 -2.65 -0.31 0.00 0.00 175.10 173.46 1kee n PRO 220 N 1.36 0.44 -0.21 4.82 -0.02 -1.26 -0.16 135.00 139.96 1kee n PRO 220 Ca -0.19 0.21 0.02 0.00 -2.02 0.00 0.00 63.50 61.52 1kee n PRO 220 Cb 0.53 -2.30 0.12 0.00 -0.02 0.00 0.00 33.50 31.84 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 -0.43 0.76 -0.12 3.55 0.00 -1.83 -2.17 119.26 119.03 1kee h ALA 221 Ca -0.47 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1kee h ALA 221 Cb 1.32 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.30 1kee h ALA 221 CO 0.47 -0.31 0.00 1.04 0.00 0.00 0.00 179.25 180.45 1kee n GLN 222 N -5.13 1.33 -1.77 0.00 3.00 -1.26 -4.58 117.38 108.96 1kee n GLN 222 Ca 0.10 -0.50 -0.41 0.00 -0.01 0.00 0.00 57.00 56.18 1kee n GLN 222 Cb 0.35 -1.19 -0.01 0.00 0.00 0.00 0.00 30.24 29.40 1kee n GLN 222 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1kee s THR 223 N -1.84 2.01 0.20 5.09 2.01 -0.82 -4.95 115.64 117.34 1kee s THR 223 Ca 0.17 0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1kee s THR 223 Cb 0.08 -3.01 -0.08 0.00 0.01 0.00 0.00 72.50 69.51 1kee s THR 223 CO 0.12 0.00 1.04 -0.94 -0.69 0.00 0.00 174.62 174.16 1kee s SER 224 N 0.10 7.39 0.25 3.53 1.04 -1.26 -4.94 113.70 119.81 1kee s SER 224 Ca 0.57 2.04 -0.06 0.00 0.48 0.00 0.00 55.95 58.98 1kee s SER 224 Cb -0.47 -2.61 0.46 0.00 0.10 0.00 0.00 66.02 63.50 1kee s SER 224 CO 0.58 -0.10 1.65 0.00 0.98 0.00 0.00 173.24 176.35 1kee h ALA 225 N 4.75 0.85 -0.07 5.32 0.00 -1.92 -0.91 119.26 127.27 1kee h ALA 225 Ca -0.45 0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.71 1kee h ALA 225 Cb 1.21 0.37 -0.05 0.00 0.00 0.00 0.00 17.79 19.32 1kee h ALA 225 CO 0.70 -0.41 -0.49 0.93 0.00 0.00 0.00 179.25 179.98 1kee h GLU 226 N 0.14 -0.54 -1.03 0.00 3.07 -1.94 0.42 114.58 114.69 1kee h GLU 226 Ca 0.42 0.04 0.26 0.00 -0.50 0.00 0.00 59.36 59.58 1kee h GLU 226 Cb 0.75 0.12 -0.09 0.00 -0.84 0.00 0.00 28.75 28.69 1kee h GLU 226 CO -0.63 -0.36 0.67 -0.44 -1.40 0.00 0.00 179.01 176.84 1kee h ASP 227 N -0.56 0.45 0.33 1.42 5.19 -1.59 -2.18 116.42 119.48 1kee h ASP 227 Ca 0.02 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.49 1kee h ASP 227 Cb 0.63 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1kee h ASP 227 CO -0.37 0.09 -0.16 0.58 -3.12 0.00 0.00 179.24 176.27 1kee h VAL 228 N 0.40 0.45 -1.08 -1.35 2.07 -0.25 -3.28 116.25 113.20 1kee h VAL 228 Ca 0.59 -0.75 0.30 0.00 0.82 0.00 0.00 66.70 67.65 1kee h VAL 228 Cb 1.48 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 31.86 1kee h VAL 228 CO -0.29 0.10 0.69 -0.07 0.02 0.00 0.00 177.57 178.02 1kee h LEU 229 N -0.97 0.43 -2.16 2.57 3.38 0.32 0.66 115.31 119.54 1kee h LEU 229 Ca -0.05 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1kee h LEU 229 Cb 0.51 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 1kee h LEU 229 CO 0.07 0.03 0.22 0.11 0.09 0.00 0.00 178.44 178.96 1kee h LYS 230 N 0.35 0.00 0.00 1.13 1.57 -1.49 -2.12 116.57 116.02 1kee h LYS 230 Ca 0.64 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.42 1kee h LYS 230 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1kee h LYS 230 CO -0.35 0.00 0.00 0.52 -0.57 0.00 0.00 179.45 179.05 1kee h MET 231 N 0.00 0.00 -3.83 3.15 2.86 0.21 -3.48 114.93 113.85 1kee h MET 231 Ca 0.11 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.54 1kee h MET 231 Cb 0.54 0.00 0.08 0.00 0.06 0.00 0.00 31.60 32.28 1kee h MET 231 CO -0.00 0.00 -0.40 0.09 1.06 0.00 0.00 176.91 177.66 1kee n ASN 232 N -2.60 -3.49 -4.72 1.22 4.13 -0.80 -4.98 115.26 104.03 1kee n ASN 232 Ca 0.04 -0.32 -0.42 0.00 1.68 0.00 0.00 54.58 55.56 1kee n ASN 232 Cb 0.44 -3.04 -0.01 0.00 -1.54 0.00 0.00 39.78 35.63 1kee n ASN 232 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1kee n PRO 233 N -2.90 2.37 0.22 3.52 -0.04 -1.26 -4.90 135.00 132.01 1kee n PRO 233 Ca -0.06 0.84 0.13 0.00 -0.04 0.00 0.00 63.50 64.37 1kee n PRO 233 Cb 0.56 -2.51 0.29 0.00 -0.04 0.00 0.00 33.50 31.80 1kee n PRO 233 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1kee h ASP 234 N 3.46 0.00 -4.54 3.54 3.32 -1.29 -3.47 116.42 117.44 1kee h ASP 234 Ca -0.47 0.00 0.11 0.00 0.02 0.00 0.00 57.03 56.69 1kee h ASP 234 Cb 1.26 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.64 1kee h ASP 234 CO 0.69 0.00 0.51 -0.83 -1.72 0.00 0.00 179.24 177.89 1kee s GLY 235 N -4.15 -0.43 -0.05 2.75 0.00 -1.23 -4.46 107.32 99.76 1kee s GLY 235 Ca 0.06 1.23 0.06 0.00 0.00 0.00 0.00 44.72 46.07 1kee s GLY 235 CO 0.64 0.48 -0.23 -0.42 0.00 0.00 0.00 173.10 173.57 1kee s ILE 236 N -2.69 1.89 -0.04 0.90 1.01 -0.03 -1.25 121.20 120.99 1kee s ILE 236 Ca 0.04 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.74 1kee s ILE 236 Cb -0.01 -1.59 -0.00 0.00 0.01 0.00 0.00 42.46 40.87 1kee s ILE 236 CO -0.07 0.53 -0.17 0.12 0.00 0.00 0.00 174.94 175.35 1kee s PHE 237 N -0.22 1.70 -0.32 3.97 5.36 0.75 -2.26 117.98 126.96 1kee s PHE 237 Ca -0.01 -0.50 -0.05 0.00 -0.96 0.00 0.00 56.93 55.42 1kee s PHE 237 Cb -0.12 -1.15 0.03 0.00 -0.34 0.00 0.00 43.02 41.44 1kee s PHE 237 CO 0.02 -0.17 0.07 -0.51 -1.46 0.00 0.00 175.22 173.17 1kee s LEU 238 N 0.06 4.06 1.08 6.12 1.43 0.07 -0.57 118.68 130.95 1kee s LEU 238 Ca -0.04 -1.06 -0.16 0.00 -1.03 0.00 0.00 54.13 51.84 1kee s LEU 238 Cb -0.12 -1.83 0.23 0.00 0.03 0.00 0.00 46.19 44.51 1kee s LEU 238 CO 0.02 -0.27 1.15 -0.94 0.23 0.00 0.00 176.35 176.53 1kee s SER 239 N 1.39 1.96 0.78 2.29 1.04 -1.12 -1.33 113.70 118.70 1kee s SER 239 Ca -0.01 0.72 -0.12 0.00 0.48 0.00 0.00 55.95 57.02 1kee s SER 239 Cb -0.19 -1.06 0.06 0.00 0.10 0.00 0.00 66.02 64.93 1kee s SER 239 CO 0.02 -3.49 1.14 0.54 0.98 0.00 0.00 173.24 172.42 1kee s ASN 240 N -4.00 4.80 0.00 7.02 4.22 -1.21 -2.22 114.94 123.54 1kee s ASN 240 Ca 0.69 0.97 0.00 0.00 -2.14 0.00 0.00 52.86 52.39 1kee s ASN 240 Cb -0.11 -1.61 0.00 0.00 1.28 0.00 0.00 41.25 40.81 1kee s ASN 240 CO 0.55 -1.74 0.00 0.61 -2.04 0.00 0.00 177.10 174.48 1kee n GLY 241 N -3.02 0.83 3.85 0.45 0.00 -1.24 -3.05 105.19 103.02 1kee n GLY 241 Ca 0.07 -0.78 -0.30 0.00 0.00 0.00 0.00 46.02 45.01 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 2.90 0.92 1.61 0.04 -1.25 -4.65 135.00 132.57 1kee s PRO 242 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1kee s PRO 242 Cb 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1kee s PRO 242 CO 0.00 -1.05 0.00 0.41 0.04 0.00 0.00 177.00 176.40 1kee n GLY 243 N -2.57 -1.95 3.72 0.56 0.00 -1.26 -3.42 105.19 100.26 1kee n GLY 243 Ca 0.07 -1.37 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -3.77 7.17 0.23 1.61 3.68 0.60 -4.89 116.67 121.31 1kee s ASP 244 Ca 0.00 1.94 0.04 0.00 2.13 0.00 0.00 52.55 56.66 1kee s ASP 244 Cb 0.00 -2.58 0.23 0.00 -1.45 0.00 0.00 42.92 39.12 1kee s ASP 244 CO 0.00 -0.39 1.55 1.55 0.13 0.00 0.00 175.17 178.01 1kee h PRO 245 N 6.60 0.26 -0.79 4.34 0.13 -1.88 -3.37 132.00 137.28 1kee h PRO 245 Ca -0.42 -0.18 0.09 0.00 -0.87 0.00 0.00 66.00 64.63 1kee h PRO 245 Cb 1.22 0.03 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 1kee h PRO 245 CO 0.79 0.79 -0.51 0.00 -0.23 0.00 0.00 178.00 178.84 1kee h ALA 246 N 1.17 -0.40 0.00 -0.56 0.00 -1.94 -1.72 119.26 115.80 1kee h ALA 246 Ca -0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1kee h ALA 246 Cb 1.12 1.16 0.00 0.00 0.00 0.00 0.00 17.79 20.07 1kee h ALA 246 CO 0.10 -0.88 0.00 -0.35 0.00 0.00 0.00 179.25 178.11 1kee n PRO 247 N -5.35 0.42 -1.49 0.00 -0.04 -1.26 -4.24 135.00 123.05 1kee n PRO 247 Ca 0.02 0.05 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 1kee n PRO 247 Cb 0.32 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.23 1kee n PRO 247 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee n ASP 249 N 2.38 -0.47 -0.26 0.00 3.85 -1.26 -1.30 116.55 119.48 1kee n ASP 249 Ca 0.62 1.35 0.06 0.00 -0.71 0.00 0.00 54.79 56.11 1kee n ASP 249 Cb 0.42 -0.32 0.16 0.00 -1.35 0.00 0.00 41.12 40.03 1kee n ASP 249 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.20 176.29 1kee h TYR 250 N 0.00 -0.06 -0.25 2.11 -0.00 -1.96 0.24 116.97 117.06 1kee h TYR 250 Ca 0.28 0.06 -0.10 0.00 0.00 0.00 0.00 58.73 58.97 1kee h TYR 250 Cb 0.48 0.15 -0.00 0.00 0.00 0.00 0.00 36.73 37.35 1kee h TYR 250 CO -0.67 -0.25 -0.24 0.00 -0.00 0.00 0.00 178.16 177.00 1kee h ALA 251 N 1.73 0.36 0.13 0.10 0.00 -1.44 -2.12 119.26 118.01 1kee h ALA 251 Ca 0.42 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.98 1kee h ALA 251 Cb 0.75 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 1kee h ALA 251 CO -0.68 0.33 -0.35 0.82 0.00 0.00 0.00 179.25 179.37 1kee h ILE 252 N 0.31 0.27 -0.43 0.00 2.04 -0.99 0.46 117.51 119.15 1kee h ILE 252 Ca 0.04 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.99 1kee h ILE 252 Cb 0.79 0.27 -0.09 0.00 -0.74 0.00 0.00 36.82 37.05 1kee h ILE 252 CO 0.06 0.00 -0.15 0.74 0.00 0.00 0.00 178.15 178.80 1kee h THR 253 N -0.58 0.48 -0.17 -0.27 2.02 -1.03 -0.02 112.91 113.34 1kee h THR 253 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1kee h THR 253 Cb 0.61 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1kee h THR 253 CO -0.20 0.00 0.11 0.00 0.37 0.00 0.00 175.52 175.80 1kee h ALA 254 N 1.32 0.22 -0.75 6.16 0.00 -1.06 -2.44 119.26 122.71 1kee h ALA 254 Ca 0.21 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.18 1kee h ALA 254 Cb 0.38 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1kee h ALA 254 CO -0.48 -0.30 0.43 0.82 0.00 0.00 0.00 179.25 179.72 1kee h ILE 255 N 0.23 0.97 -0.93 0.00 2.04 -0.20 0.38 117.51 119.99 1kee h ILE 255 Ca 0.06 -0.27 0.13 0.00 1.00 0.00 0.00 64.86 65.78 1kee h ILE 255 Cb -0.02 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.09 1kee h ILE 255 CO -0.01 0.14 0.55 1.56 0.00 0.00 0.00 178.15 180.39 1kee h GLN 256 N 0.78 0.82 -0.75 2.37 4.20 -0.59 -0.23 115.11 121.71 1kee h GLN 256 Ca 0.34 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.98 1kee h GLN 256 Cb 0.22 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.78 1kee h GLN 256 CO -0.20 0.54 0.39 0.87 -0.67 0.00 0.00 178.83 179.77 1kee h LYS 257 N 0.84 1.06 -0.25 1.46 6.56 -0.50 -2.43 116.57 123.32 1kee h LYS 257 Ca 0.48 -0.14 -0.11 0.00 -1.06 0.00 0.00 60.65 59.82 1kee h LYS 257 Cb 0.55 -0.20 -0.01 0.00 -0.57 0.00 0.00 32.23 31.99 1kee h LYS 257 CO -0.30 0.81 -0.30 0.74 -2.06 0.00 0.00 179.45 178.34 1kee h PHE 258 N 1.05 0.59 0.00 -1.35 0.04 -0.48 -2.88 116.94 113.90 1kee h PHE 258 Ca 0.26 -0.14 0.00 0.00 2.80 0.00 0.00 57.97 60.89 1kee h PHE 258 Cb 0.07 -0.14 0.00 0.00 2.20 0.00 0.00 35.95 38.09 1kee h PHE 258 CO 0.00 0.76 0.00 -0.07 -0.60 0.00 0.00 178.31 178.40 1kee h LEU 259 N 0.44 0.00 0.00 1.54 3.38 -0.58 0.86 115.31 120.95 1kee h LEU 259 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1kee h LEU 259 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1kee h LEU 259 CO 0.06 0.00 -0.18 -0.62 0.09 0.00 0.00 178.44 177.79 1kee n GLU 260 N -2.82 0.23 -1.11 1.13 1.02 -1.09 -4.84 120.64 113.17 1kee n GLU 260 Ca -0.01 0.15 -0.04 0.00 -0.02 0.00 0.00 57.16 57.24 1kee n GLU 260 Cb 0.13 -1.73 0.02 0.00 -0.02 0.00 0.00 31.44 29.83 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 0.28 2.62 -2.24 0.29 -5.02 114.28 108.09 1kee n THR 261 Ca 0.05 -0.30 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1kee n THR 261 Cb 0.42 -1.15 0.11 0.00 -2.10 0.00 0.00 70.33 67.61 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 -2.94 2.52 -4.75 3.42 8.00 -1.26 -4.92 116.55 116.62 1kee n ASP 262 Ca 0.03 -1.73 -0.41 0.00 0.71 0.00 0.00 54.79 53.39 1kee n ASP 262 Cb 0.10 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1kee n ASP 262 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1kee s ILE 263 N -1.09 3.12 0.37 0.53 1.01 -1.26 -4.80 121.20 119.06 1kee s ILE 263 Ca 0.21 0.99 -0.27 0.00 0.00 0.00 0.00 60.65 61.57 1kee s ILE 263 Cb 0.13 -3.63 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 1kee s ILE 263 CO 0.18 0.18 1.30 -2.84 0.00 0.00 0.00 174.94 173.76 1kee s PRO 264 N -0.70 4.18 -0.04 2.79 0.02 -1.26 -4.75 135.00 135.24 1kee s PRO 264 Ca 0.53 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.75 1kee s PRO 264 Cb -0.37 -2.92 0.01 0.00 0.02 0.00 0.00 34.50 31.24 1kee s PRO 264 CO 0.42 -0.32 -0.08 0.08 -0.33 0.00 0.00 177.00 176.77 1kee s VAL 265 N -1.20 0.76 -0.04 3.83 1.01 -0.55 -0.85 120.40 123.36 1kee s VAL 265 Ca 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 1kee s VAL 265 Cb -0.39 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.32 1kee s VAL 265 CO 0.51 0.25 0.03 0.12 0.00 0.00 0.00 175.10 176.01 1kee s PHE 266 N 0.46 0.21 0.02 5.22 5.36 -0.96 -1.20 117.98 127.09 1kee s PHE 266 Ca -0.07 0.10 0.07 0.00 -0.96 0.00 0.00 56.93 56.07 1kee s PHE 266 Cb -0.11 -0.46 -0.02 0.00 -0.34 0.00 0.00 43.02 42.09 1kee s PHE 266 CO 0.01 -0.17 -0.22 0.20 -1.46 0.00 0.00 175.22 173.58 1kee s GLY 267 N 1.59 1.15 0.00 13.12 0.00 -0.89 -0.75 107.32 121.54 1kee s GLY 267 Ca -0.02 -1.04 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1kee s GLY 267 CO -0.03 -0.92 0.82 1.39 0.00 0.00 0.00 173.10 174.36 1kee n ILE 268 N 2.15 0.41 0.00 0.90 5.41 -0.44 -1.86 119.36 125.92 1kee n ILE 268 Ca -0.16 -0.70 0.00 0.00 1.00 0.00 0.00 62.75 62.88 1kee n ILE 268 Cb 0.53 0.85 0.00 0.00 -0.71 0.00 0.00 39.64 40.31 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 0.09 0.00 0.23 1.39 7.94 -1.26 -3.34 117.00 122.06 1kee n LEU 270 Ca 0.03 0.00 0.15 0.00 -1.11 0.00 0.00 56.01 55.09 1kee n LEU 270 Cb 0.19 0.00 0.58 0.00 0.53 0.00 0.00 43.42 44.72 1kee n LEU 270 CO 0.03 0.00 0.94 1.23 -1.11 0.00 0.00 177.39 178.48 1kee h GLY 271 N 0.00 0.00 0.94 -3.96 0.00 -1.61 0.13 103.07 98.57 1kee h GLY 271 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 1kee h GLY 271 CO 0.00 0.00 -0.97 0.84 0.00 0.00 0.00 176.54 176.41 1kee h HIS 272 N 0.00 0.76 -0.44 5.60 -0.00 -1.73 -2.55 115.15 116.80 1kee h HIS 272 Ca 0.00 -0.50 -0.05 0.00 -0.00 0.00 0.00 60.37 59.83 1kee h HIS 272 Cb 0.53 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.87 1kee h HIS 272 CO 0.00 1.35 0.10 1.96 -0.00 0.00 0.00 177.93 181.34 1kee h GLN 273 N -0.05 0.72 0.07 5.26 4.20 -1.81 -1.93 115.11 121.57 1kee h GLN 273 Ca -0.15 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.38 1kee h GLN 273 Cb 1.71 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.39 1kee h GLN 273 CO 0.19 0.73 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.93 1kee h LEU 274 N 0.59 -0.19 -0.44 1.46 3.38 -1.04 0.43 115.31 119.49 1kee h LEU 274 Ca 0.14 0.02 0.09 0.00 0.09 0.00 0.00 57.88 58.22 1kee h LEU 274 Cb 0.34 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 41.08 1kee h LEU 274 CO 0.00 -0.11 -0.10 0.25 0.09 0.00 0.00 178.44 178.57 1kee h LEU 275 N -0.16 -0.40 -0.63 1.67 5.85 -1.39 0.30 115.31 120.55 1kee h LEU 275 Ca 0.00 0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1kee h LEU 275 Cb 0.16 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 1kee h LEU 275 CO -0.02 -0.14 0.37 0.00 -0.34 0.00 0.00 178.44 178.30 1kee h ALA 276 N 1.44 0.83 -0.59 1.25 0.00 -0.96 -1.76 119.26 119.47 1kee h ALA 276 Ca 0.21 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1kee h ALA 276 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1kee h ALA 276 CO -0.45 0.07 0.18 -0.07 0.00 0.00 0.00 179.25 178.98 1kee h LEU 277 N 0.70 0.87 -0.14 0.00 3.38 0.38 0.17 115.31 120.66 1kee h LEU 277 Ca 0.27 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1kee h LEU 277 Cb 0.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1kee h LEU 277 CO -0.15 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.23 1kee n ALA 278 N -2.40 1.63 0.88 1.53 0.00 -0.03 -1.73 120.51 120.40 1kee n ALA 278 Ca 0.03 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.55 1kee n ALA 278 Cb 0.21 -1.25 0.04 0.00 0.00 0.00 0.00 19.45 18.44 1kee n ALA 278 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1kee n SER 279 N -1.64 2.25 0.00 0.00 7.64 -0.70 -4.70 113.62 116.48 1kee n SER 279 Ca 0.03 -1.63 0.00 0.00 1.01 0.00 0.00 58.87 58.28 1kee n SER 279 Cb 0.17 0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 1.26 1.06 3.96 0.23 0.00 -0.70 -4.71 105.19 106.28 1kee n GLY 280 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 1kee n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kee s ALA 281 N -2.00 3.21 -0.04 4.61 0.00 0.52 -4.67 121.76 123.39 1kee s ALA 281 Ca 0.00 -1.34 0.06 0.00 0.00 0.00 0.00 51.96 50.68 1kee s ALA 281 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 1kee s ALA 281 CO 0.00 -1.60 -0.23 0.15 0.00 0.00 0.00 175.76 174.08 1kee s LYS 282 N -5.32 2.15 0.03 0.00 -0.14 -1.26 -4.40 119.74 110.79 1kee s LYS 282 Ca 0.66 -0.84 0.04 0.00 -1.36 0.00 0.00 55.97 54.47 1kee s LYS 282 Cb -0.07 -1.93 -0.04 0.00 -1.68 0.00 0.00 37.83 34.11 1kee s LYS 282 CO 0.46 0.42 -0.04 0.95 -0.76 0.00 0.00 175.35 176.38 1kee s THR 283 N -0.31 3.81 0.25 2.17 -4.23 -1.26 0.64 115.64 116.71 1kee s THR 283 Ca 0.02 -0.83 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1kee s THR 283 Cb -0.11 -2.72 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 1kee s THR 283 CO 0.01 0.30 -0.11 0.68 -0.54 0.00 0.00 174.62 174.97 1kee s VAL 284 N -1.11 1.73 -0.26 2.29 -7.23 0.25 -4.90 120.40 111.18 1kee s VAL 284 Ca 0.20 -2.18 -0.13 0.00 -1.81 0.00 0.00 61.98 58.06 1kee s VAL 284 Cb -0.11 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 1kee s VAL 284 CO 0.11 -0.44 0.29 -0.75 -0.31 0.00 0.00 175.10 174.01 1kee s LYS 285 N -3.68 4.03 0.74 4.82 2.20 -1.26 -0.05 119.74 126.54 1kee s LYS 285 Ca 0.26 -0.09 -0.12 0.00 -0.36 0.00 0.00 55.97 55.67 1kee s LYS 285 Cb 0.01 -3.62 0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1kee s LYS 285 CO 0.10 -0.17 1.10 -1.64 -0.36 0.00 0.00 175.35 174.38 1kee s MET 286 N 1.74 2.36 0.10 4.03 -1.94 0.14 -4.96 119.30 120.78 1kee s MET 286 Ca 0.12 1.29 -0.33 0.00 -1.71 0.00 0.00 55.69 55.06 1kee s MET 286 Cb -0.15 -1.90 -0.14 0.00 2.01 0.00 0.00 34.83 34.65 1kee s MET 286 CO 0.09 -1.58 1.53 -0.22 -0.01 0.00 0.00 175.02 174.83 1kee h LYS 287 N -0.75 -0.65 0.00 2.03 3.64 -1.97 -3.38 116.57 115.48 1kee h LYS 287 Ca -0.45 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1kee h LYS 287 Cb 1.24 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 1kee h LYS 287 CO 0.52 -0.43 -0.52 1.97 -2.27 0.00 0.00 179.45 178.71 1kee n PHE 288 N -5.33 0.00 -2.71 1.91 1.16 -1.26 -0.82 117.46 110.41 1kee n PHE 288 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.51 1kee n PHE 288 Cb 0.39 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.26 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 1.39 -1.78 2.98 4.97 0.00 -1.26 -4.80 105.19 106.69 1kee n GLY 289 Ca 0.00 -1.58 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 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 2.30 -0.22 1.61 0.09 0.21 -4.99 115.29 114.29 1kee s HIS 290 Ca 0.00 -1.50 -0.04 0.00 -0.00 0.00 0.00 55.06 53.52 1kee s HIS 290 Cb 0.00 -1.59 0.08 0.00 -0.00 0.00 0.00 32.58 31.08 1kee s HIS 290 CO 0.00 -0.72 0.14 -1.01 -0.00 0.00 0.00 174.74 173.15 1kee s HIS 291 N 1.44 0.09 -2.91 1.40 3.76 -1.26 -0.89 115.29 116.91 1kee s HIS 291 Ca -0.01 -0.35 0.00 0.00 -0.15 0.00 0.00 55.06 54.56 1kee s HIS 291 Cb -0.16 -0.66 0.00 0.00 1.11 0.00 0.00 32.58 32.87 1kee s HIS 291 CO -0.08 -0.64 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 1kee n GLY 292 N 5.28 -1.60 1.92 -2.22 0.00 -1.06 -2.39 105.19 105.13 1kee n GLY 292 Ca -0.06 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.87 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 -0.19 2.06 0.14 -0.02 0.00 -1.26 -1.16 105.19 104.77 1kee n GLY 293 Ca 0.00 -1.10 0.03 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.13 1.18 -4.63 1.61 6.94 -1.19 -4.50 115.26 114.54 1kee n ASN 294 Ca 0.10 -2.10 -0.43 0.00 -0.02 0.00 0.00 54.58 52.14 1kee n ASN 294 Cb 0.97 -0.17 -0.02 0.00 -2.36 0.00 0.00 39.78 38.19 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 -1.08 2.24 0.09 -2.53 2.46 -1.02 -4.71 115.29 110.74 1kee s HIS 295 Ca 0.09 0.62 -0.30 0.00 0.47 0.00 0.00 55.06 55.94 1kee s HIS 295 Cb 0.08 -3.97 -0.05 0.00 -0.13 0.00 0.00 32.58 28.50 1kee s HIS 295 CO 0.01 -2.64 1.03 -1.25 -2.47 0.00 0.00 174.74 169.42 1kee s PRO 296 N 4.58 4.60 -0.06 2.88 0.04 -1.26 0.50 135.00 146.27 1kee s PRO 296 Ca 0.68 1.55 0.01 0.00 0.04 0.00 0.00 61.00 63.28 1kee s PRO 296 Cb -0.23 -3.37 0.02 0.00 0.04 0.00 0.00 34.50 30.96 1kee s PRO 296 CO 0.28 0.04 -0.06 0.08 0.04 0.00 0.00 177.00 177.37 1kee s VAL 297 N 0.39 0.70 -0.15 -0.36 1.01 0.05 -0.78 120.40 121.27 1kee s VAL 297 Ca 0.51 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1kee s VAL 297 Cb -0.25 -0.71 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1kee s VAL 297 CO 0.30 0.27 0.17 -0.75 0.00 0.00 0.00 175.10 175.09 1kee s LYS 298 N 0.97 3.83 -0.84 2.72 2.20 0.18 -0.23 119.74 128.59 1kee s LYS 298 Ca -0.10 -0.11 -0.20 0.00 -0.36 0.00 0.00 55.97 55.20 1kee s LYS 298 Cb -0.14 -3.30 0.11 0.00 -1.51 0.00 0.00 37.83 32.99 1kee s LYS 298 CO 0.00 0.54 1.06 0.34 -0.36 0.00 0.00 175.35 176.93 1kee s ASP 299 N -0.36 6.48 0.49 1.43 3.68 -0.22 -2.10 116.67 126.07 1kee s ASP 299 Ca 0.13 -1.71 0.30 0.00 2.13 0.00 0.00 52.55 53.39 1kee s ASP 299 Cb -0.12 -2.40 1.39 0.00 -1.45 0.00 0.00 42.92 40.34 1kee s ASP 299 CO 0.02 -1.17 1.80 -0.37 0.13 0.00 0.00 175.17 175.58 1kee h VAL 300 N 5.89 0.46 -0.13 1.11 -1.51 -1.77 0.93 116.25 121.23 1kee h VAL 300 Ca 0.01 -0.05 -0.02 0.00 -1.23 0.00 0.00 66.70 65.41 1kee h VAL 300 Cb 1.04 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.51 1kee h VAL 300 CO 1.13 0.03 0.02 -0.33 -1.23 0.00 0.00 177.57 177.18 1kee h GLU 301 N 0.14 0.22 0.00 5.19 5.08 -1.90 -3.25 114.58 120.07 1kee h GLU 301 Ca 0.56 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 1kee h GLU 301 Cb 1.93 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.15 1kee h GLU 301 CO -0.11 0.42 -1.23 1.63 -1.00 0.00 0.00 179.01 178.72 1kee n LYS 302 N -4.81 0.46 -3.13 2.33 5.02 -0.66 -4.98 118.16 112.38 1kee n LYS 302 Ca -0.05 -0.01 -0.14 0.00 -2.02 0.00 0.00 58.31 56.09 1kee n LYS 302 Cb 0.18 -1.64 0.07 0.00 -0.02 0.00 0.00 35.03 33.62 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 -2.23 -2.08 -4.16 4.39 5.15 0.31 -5.03 115.26 111.62 1kee n ASN 303 Ca 0.00 -0.49 -0.19 0.00 -0.60 0.00 0.00 54.58 53.30 1kee n ASN 303 Cb 0.50 -4.15 -0.13 0.00 -0.53 0.00 0.00 39.78 35.47 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 -3.28 1.10 0.02 3.44 -7.23 -1.19 -4.97 120.40 108.30 1kee s VAL 304 Ca 0.01 -1.15 0.02 0.00 -1.81 0.00 0.00 61.98 59.05 1kee s VAL 304 Cb -0.00 -1.03 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 1kee s VAL 304 CO 0.58 -0.11 0.02 -0.69 -0.31 0.00 0.00 175.10 174.59 1kee s VAL 305 N -1.06 4.24 0.04 1.32 1.01 -1.26 -1.06 120.40 123.64 1kee s VAL 305 Ca -0.00 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1kee s VAL 305 Cb -0.09 -2.94 -0.02 0.00 0.00 0.00 0.00 36.38 33.34 1kee s VAL 305 CO 0.02 0.31 -0.12 0.00 0.00 0.00 0.00 175.10 175.30 1kee s MET 306 N -1.78 0.82 -0.16 2.72 0.23 0.69 -4.94 119.30 116.87 1kee s MET 306 Ca 0.22 -0.71 -0.20 0.00 -1.03 0.00 0.00 55.69 53.97 1kee s MET 306 Cb -0.12 -0.78 -0.03 0.00 -1.53 0.00 0.00 34.83 32.37 1kee s MET 306 CO 0.13 0.19 0.59 0.42 -2.03 0.00 0.00 175.02 174.32 1kee s ILE 307 N -0.87 5.07 0.32 3.16 -1.09 -1.26 -0.77 121.20 125.76 1kee s ILE 307 Ca -0.00 1.14 0.05 0.00 -2.23 0.00 0.00 60.65 59.61 1kee s ILE 307 Cb -0.08 -3.92 -0.06 0.00 -1.58 0.00 0.00 42.46 36.82 1kee s ILE 307 CO 0.01 0.19 0.03 0.42 -1.23 0.00 0.00 174.94 174.36 1kee s THR 308 N 1.40 1.37 -0.28 2.92 -4.23 0.18 -4.35 115.64 112.64 1kee s THR 308 Ca 0.29 -2.03 -0.14 0.00 -1.18 0.00 0.00 61.69 58.63 1kee s THR 308 Cb -0.16 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.92 1kee s THR 308 CO 0.11 -0.08 0.33 0.00 -0.54 0.00 0.00 174.62 174.45 1kee s ALA 309 N -3.18 3.54 0.16 3.99 0.00 -1.26 -2.44 121.76 122.58 1kee s ALA 309 Ca 0.35 -0.95 0.10 0.00 0.00 0.00 0.00 51.96 51.46 1kee s ALA 309 Cb 0.08 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.48 1kee s ALA 309 CO 0.15 -0.71 -0.17 -0.65 0.00 0.00 0.00 175.76 174.38 1kee s GLN 310 N 1.99 1.80 -0.42 0.00 -1.52 -0.31 -0.90 119.66 120.31 1kee s GLN 310 Ca 0.13 -1.31 0.01 0.00 -1.95 0.00 0.00 55.36 52.23 1kee s GLN 310 Cb -0.16 -2.05 0.23 0.00 -0.22 0.00 0.00 33.01 30.81 1kee s GLN 310 CO 0.10 0.44 1.01 -1.71 -0.25 0.00 0.00 175.29 174.88 1kee n ASN 311 N 0.38 -2.23 -3.75 5.90 5.15 -0.73 -2.55 115.26 117.42 1kee n ASN 311 Ca -0.13 -2.24 -0.13 0.00 -0.60 0.00 0.00 54.58 51.48 1kee n ASN 311 Cb 0.55 1.24 -0.10 0.00 -0.53 0.00 0.00 39.78 40.94 1kee n ASN 311 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1kee s HIS 312 N 0.63 -0.30 -0.19 1.20 -3.43 -0.07 -5.00 115.29 108.13 1kee s HIS 312 Ca 0.28 0.65 0.17 0.00 -0.80 0.00 0.00 55.06 55.36 1kee s HIS 312 Cb 0.15 0.12 -0.24 0.00 -1.43 0.00 0.00 32.58 31.18 1kee s HIS 312 CO -0.13 -0.29 0.44 0.41 -2.00 0.00 0.00 174.74 173.17 1kee n GLY 313 N 2.13 -0.71 3.37 -1.38 0.00 -1.26 -0.62 105.19 106.73 1kee n GLY 313 Ca -0.17 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.02 2.14 0.16 1.61 0.08 -1.26 0.27 117.98 117.97 1kee s PHE 314 Ca -0.03 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.60 1kee s PHE 314 Cb 0.11 -1.13 -0.04 0.00 -0.57 0.00 0.00 43.02 41.39 1kee s PHE 314 CO 0.69 0.34 0.11 0.00 -0.10 0.00 0.00 175.22 176.26 1kee s ALA 315 N -1.31 0.85 -0.16 5.36 0.00 0.93 -4.86 121.76 122.56 1kee s ALA 315 Ca 0.14 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.46 1kee s ALA 315 Cb -0.09 1.03 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 1kee s ALA 315 CO 0.07 -0.54 0.42 0.08 0.00 0.00 0.00 175.76 175.78 1kee s VAL 316 N -4.07 5.20 -0.18 0.00 1.01 -1.26 0.87 120.40 121.96 1kee s VAL 316 Ca 0.28 0.80 -0.29 0.00 0.00 0.00 0.00 61.98 62.77 1kee s VAL 316 Cb 0.07 -3.76 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1kee s VAL 316 CO 0.05 0.29 1.56 -0.62 0.00 0.00 0.00 175.10 176.38 1kee s ASP 317 N 0.81 6.53 0.23 3.32 3.68 0.21 -4.52 116.67 126.93 1kee s ASP 317 Ca 0.22 1.73 -0.04 0.00 2.13 0.00 0.00 52.55 56.59 1kee s ASP 317 Cb -0.15 -2.53 0.24 0.00 -1.45 0.00 0.00 42.92 39.03 1kee s ASP 317 CO 0.08 -1.11 1.70 -0.08 0.13 0.00 0.00 175.17 175.89 1kee h GLU 318 N 10.06 0.85 0.00 4.34 4.81 -1.96 -2.82 114.58 129.86 1kee h GLU 318 Ca -0.33 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 58.63 1kee h GLU 318 Cb 1.15 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1kee h GLU 318 CO 0.99 0.89 0.00 0.00 -0.73 0.00 0.00 179.01 180.15 1kee n ALA 319 N -2.48 1.38 0.27 2.92 0.00 -1.26 -2.50 120.51 118.83 1kee n ALA 319 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 53.44 53.55 1kee n ALA 319 Cb 0.34 -1.22 0.08 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.80 0.30 -1.66 0.00 -2.24 -1.07 -5.03 114.28 102.79 1kee n THR 320 Ca 0.01 -0.65 -0.44 0.00 -2.27 0.00 0.00 64.05 60.71 1kee n THR 320 Cb 0.12 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 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 0.58 2.96 -4.82 3.22 4.32 -1.04 -4.64 117.00 117.58 1kee n LEU 321 Ca 0.08 1.18 -0.33 0.00 -0.02 0.00 0.00 56.01 56.92 1kee n LEU 321 Cb 0.32 -1.41 -0.03 0.00 -1.62 0.00 0.00 43.42 40.67 1kee n LEU 321 CO 0.07 -0.73 0.69 -2.84 -1.22 0.00 0.00 177.39 173.36 1kee s PRO 322 N -1.38 3.83 0.61 3.23 0.01 -1.26 -4.93 135.00 135.11 1kee s PRO 322 Ca 0.60 1.11 0.32 0.00 0.01 0.00 0.00 61.00 63.03 1kee s PRO 322 Cb -0.63 -2.11 1.80 0.00 0.01 0.00 0.00 34.50 33.57 1kee s PRO 322 CO 0.58 -0.38 2.15 0.00 0.01 0.00 0.00 177.00 179.36 1kee h ALA 323 N 1.09 1.59 0.00 -1.55 0.00 -1.94 0.13 119.26 118.58 1kee h ALA 323 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1kee h ALA 323 Cb 1.20 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1kee h ALA 323 CO 0.60 -0.21 0.00 0.27 0.00 0.00 0.00 179.25 179.91 1kee n ASN 324 N -3.60 0.00 -4.00 0.00 2.04 -1.26 -4.46 115.26 103.98 1kee n ASN 324 Ca -0.00 -1.29 -0.32 0.00 -0.44 0.00 0.00 54.58 52.53 1kee n ASN 324 Cb 0.25 0.00 -0.10 0.00 -2.53 0.00 0.00 39.78 37.40 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 -1.66 5.03 0.44 -4.53 1.43 0.47 -0.31 118.68 119.56 1kee s LEU 325 Ca 0.30 -3.54 -0.23 0.00 -1.03 0.00 0.00 54.13 49.63 1kee s LEU 325 Cb 0.14 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.52 1kee s LEU 325 CO 0.23 -0.18 1.10 0.00 0.23 0.00 0.00 176.35 177.73 1kee s ARG 326 N -1.05 3.91 -0.10 1.70 1.70 -0.54 -4.71 118.95 119.86 1kee s ARG 326 Ca 0.23 1.60 -0.27 0.00 -0.47 0.00 0.00 55.73 56.83 1kee s ARG 326 Cb -0.11 -2.40 -0.02 0.00 -0.57 0.00 0.00 34.95 31.85 1kee s ARG 326 CO -0.11 -0.38 0.87 0.08 -1.08 0.00 0.00 175.30 174.68 1kee s VAL 327 N -1.66 4.89 -0.14 4.99 1.01 -1.26 -1.24 120.40 126.99 1kee s VAL 327 Ca 0.62 1.77 0.14 0.00 0.00 0.00 0.00 61.98 64.51 1kee s VAL 327 Cb -0.24 -4.19 -0.20 0.00 0.00 0.00 0.00 36.38 31.75 1kee s VAL 327 CO 0.29 0.10 0.09 0.35 0.00 0.00 0.00 175.10 175.93 1kee n THR 328 N 4.31 0.92 -3.76 3.92 -2.24 0.60 -4.86 114.28 113.17 1kee n THR 328 Ca 0.04 -0.61 -0.13 0.00 -2.27 0.00 0.00 64.05 61.08 1kee n THR 328 Cb 0.50 -0.51 -0.09 0.00 -2.10 0.00 0.00 70.33 68.13 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 -2.46 -0.19 0.03 4.78 3.76 -1.17 -2.35 115.29 117.69 1kee s HIS 329 Ca -0.07 0.31 0.01 0.00 -0.15 0.00 0.00 55.06 55.15 1kee s HIS 329 Cb 0.05 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.82 1kee s HIS 329 CO 0.63 -0.37 -0.04 0.15 -0.85 0.00 0.00 174.74 174.26 1kee s LYS 330 N -1.19 0.37 0.32 1.40 1.02 -0.89 0.67 119.74 121.44 1kee s LYS 330 Ca -0.12 -0.64 -0.28 0.00 0.02 0.00 0.00 55.97 54.94 1kee s LYS 330 Cb -0.05 -0.02 -0.10 0.00 -0.52 0.00 0.00 37.83 37.14 1kee s LYS 330 CO 0.04 -0.02 1.17 0.45 -0.92 0.00 0.00 175.35 176.07 1kee s SER 331 N -1.45 7.01 0.02 2.83 0.15 0.61 -0.64 113.70 122.23 1kee s SER 331 Ca -0.14 2.39 0.25 0.00 0.70 0.00 0.00 55.95 59.16 1kee s SER 331 Cb -0.10 -2.63 0.50 0.00 -1.71 0.00 0.00 66.02 62.08 1kee s SER 331 CO -0.01 -0.34 1.41 0.18 1.20 0.00 0.00 173.24 175.69 1kee n LEU 332 N 0.88 0.52 -0.02 3.45 4.32 0.04 -1.51 117.00 124.69 1kee n LEU 332 Ca 0.00 0.07 -0.19 0.00 -0.02 0.00 0.00 56.01 55.87 1kee n LEU 332 Cb 0.44 -0.24 -0.13 0.00 -1.62 0.00 0.00 43.42 41.86 1kee n LEU 332 CO 0.55 0.08 -0.01 -0.26 -1.22 0.00 0.00 177.39 176.53 1kee h PHE 333 N 0.00 0.27 0.00 -1.77 0.04 -1.91 -3.42 116.94 110.14 1kee h PHE 333 Ca 0.00 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.58 1kee h PHE 333 Cb 0.55 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1kee h PHE 333 CO 0.00 1.28 0.00 -0.40 -0.60 0.00 0.00 178.31 178.59 1kee n ASP 334 N -4.29 0.39 0.00 2.17 3.85 -1.26 -5.01 116.55 112.40 1kee n ASP 334 Ca -0.17 -0.84 0.00 0.00 -0.71 0.00 0.00 54.79 53.06 1kee n ASP 334 Cb 0.70 0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.58 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 0.10 1.44 3.64 6.12 0.00 -0.57 -5.01 105.19 110.93 1kee n GLY 335 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1kee n GLY 335 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kee n THR 336 N -2.00 3.01 -1.70 2.61 -2.24 -1.26 -4.33 114.28 108.37 1kee n THR 336 Ca 0.00 -0.36 -0.42 0.00 -2.27 0.00 0.00 64.05 61.00 1kee n THR 336 Cb 0.00 -1.18 -0.03 0.00 -2.10 0.00 0.00 70.33 67.02 1kee n THR 336 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1kee n LEU 337 N -1.98 4.07 -0.02 3.22 7.94 -1.26 -0.29 117.00 128.69 1kee n LEU 337 Ca 0.14 1.00 -0.02 0.00 -1.11 0.00 0.00 56.01 56.02 1kee n LEU 337 Cb 0.49 -1.56 -0.02 0.00 0.53 0.00 0.00 43.42 42.86 1kee n LEU 337 CO 0.48 0.20 -0.60 0.00 -1.11 0.00 0.00 177.39 176.36 1kee n GLN 338 N 5.23 3.25 -3.82 1.96 1.13 0.21 -4.80 117.38 120.55 1kee n GLN 338 Ca 0.17 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.13 1kee n GLN 338 Cb 0.37 -1.08 -0.08 0.00 0.11 0.00 0.00 30.24 29.56 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 -3.45 -0.00 0.00 1.08 0.00 -0.04 0.76 107.32 105.67 1kee s GLY 339 Ca -0.02 -0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.31 1kee s GLY 339 CO 0.12 -0.41 0.35 -0.26 0.00 0.00 0.00 173.10 172.90 1kee s ILE 340 N -2.63 0.06 -0.00 0.90 -4.36 -0.95 -0.29 121.20 113.92 1kee s ILE 340 Ca -0.05 -0.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.88 1kee s ILE 340 Cb -0.01 -0.75 0.00 0.00 1.25 0.00 0.00 42.46 42.95 1kee s ILE 340 CO -0.04 -0.26 -0.01 -2.28 0.24 0.00 0.00 174.94 172.59 1kee s HIS 341 N -1.70 0.09 0.03 1.37 2.46 -0.38 -1.13 115.29 116.04 1kee s HIS 341 Ca -0.11 -0.01 -0.30 0.00 0.47 0.00 0.00 55.06 55.11 1kee s HIS 341 Cb -0.03 -0.07 -0.06 0.00 -0.13 0.00 0.00 32.58 32.29 1kee s HIS 341 CO 0.03 -0.01 1.37 1.03 -2.47 0.00 0.00 174.74 174.68 1kee s ARG 342 N 0.05 4.31 0.38 2.88 1.81 0.10 -1.47 118.95 127.02 1kee s ARG 342 Ca -0.00 1.95 0.09 0.00 -1.72 0.00 0.00 55.73 56.05 1kee s ARG 342 Cb -0.01 -3.48 0.76 0.00 -0.45 0.00 0.00 34.95 31.77 1kee s ARG 342 CO -0.00 -0.50 1.90 1.79 -0.68 0.00 0.00 175.30 177.81 1kee h THR 343 N 4.73 1.19 -0.01 0.02 1.35 -0.99 -3.17 112.91 116.03 1kee h THR 343 Ca -0.39 -0.83 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1kee h THR 343 Cb 1.19 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 1kee h THR 343 CO 0.88 0.26 -0.31 -0.90 -0.25 0.00 0.00 175.52 175.20 1kee n ASP 344 N -4.26 1.17 -4.25 5.36 3.85 -1.26 -5.04 116.55 112.12 1kee n ASP 344 Ca -0.01 -1.08 -0.14 0.00 -0.71 0.00 0.00 54.79 52.85 1kee n ASP 344 Cb 0.28 0.59 -0.10 0.00 -1.35 0.00 0.00 41.12 40.54 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 -1.66 1.20 -0.73 0.11 -0.14 -1.20 -5.01 119.74 112.31 1kee s LYS 345 Ca 0.09 -1.61 -0.06 0.00 -1.36 0.00 0.00 55.97 53.03 1kee s LYS 345 Cb 0.09 -0.17 -0.02 0.00 -1.68 0.00 0.00 37.83 36.06 1kee s LYS 345 CO 0.34 -0.22 2.89 -0.35 -0.76 0.00 0.00 175.35 177.25 1kee n PRO 346 N -0.30 3.05 -4.47 -1.68 -0.04 -1.26 -4.30 135.00 126.00 1kee n PRO 346 Ca -0.03 -2.31 -0.22 0.00 -0.04 0.00 0.00 63.50 60.89 1kee n PRO 346 Cb 0.64 -2.32 -0.16 0.00 -0.04 0.00 0.00 33.50 31.62 1kee n PRO 346 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1kee s ALA 347 N -0.47 1.04 0.16 0.55 0.00 -1.26 -1.49 121.76 120.29 1kee s ALA 347 Ca 0.61 -0.34 -0.10 0.00 0.00 0.00 0.00 51.96 52.12 1kee s ALA 347 Cb 0.29 -0.45 -0.00 0.00 0.00 0.00 0.00 23.12 22.96 1kee s ALA 347 CO -0.12 0.12 0.31 -0.59 0.00 0.00 0.00 175.76 175.48 1kee s PHE 348 N 0.48 0.29 0.19 0.00 -0.12 -0.34 0.00 117.98 118.48 1kee s PHE 348 Ca -0.09 -0.66 -0.13 0.00 -0.05 0.00 0.00 56.93 56.00 1kee s PHE 348 Cb -0.13 0.02 0.01 0.00 -0.63 0.00 0.00 43.02 42.29 1kee s PHE 348 CO 0.02 -0.73 0.42 -1.54 -0.05 0.00 0.00 175.22 173.34 1kee s SER 349 N -2.94 -0.12 -0.03 1.98 1.04 -0.28 -2.09 113.70 111.26 1kee s SER 349 Ca 0.15 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1kee s SER 349 Cb 0.03 0.52 0.03 0.00 0.10 0.00 0.00 66.02 66.70 1kee s SER 349 CO -0.02 -1.01 0.01 0.12 0.98 0.00 0.00 173.24 173.33 1kee s PHE 350 N -3.93 0.20 0.26 5.02 5.36 -0.78 -2.25 117.98 121.87 1kee s PHE 350 Ca 0.14 0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.19 1kee s PHE 350 Cb 0.01 -0.35 0.32 0.00 -0.34 0.00 0.00 43.02 42.66 1kee s PHE 350 CO 0.00 -0.12 1.64 0.37 -1.46 0.00 0.00 175.22 175.65 1kee h GLN 351 N 7.30 0.41 0.00 10.12 5.75 0.02 -3.39 115.11 135.32 1kee h GLN 351 Ca -0.43 -0.20 0.00 0.00 -0.15 0.00 0.00 58.65 57.87 1kee h GLN 351 Cb 1.13 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.68 1kee h GLN 351 CO 0.47 0.75 0.00 0.41 -2.65 0.00 0.00 178.83 177.81 1kee n GLY 352 N -0.09 -0.86 3.00 2.39 0.00 -1.26 -4.81 105.19 103.55 1kee n GLY 352 Ca -0.02 -1.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.44 3.26 0.54 1.61 3.76 -0.08 -4.93 115.29 119.01 1kee s HIS 353 Ca 0.00 -3.04 0.28 0.00 -0.15 0.00 0.00 55.06 52.16 1kee s HIS 353 Cb 0.00 -2.94 1.45 0.00 1.11 0.00 0.00 32.58 32.19 1kee s HIS 353 CO 0.00 -0.77 1.95 -1.35 -0.85 0.00 0.00 174.74 173.72 1kee h PRO 354 N 6.64 0.00 0.00 8.40 0.11 -1.87 0.58 132.00 145.86 1kee h PRO 354 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1kee h PRO 354 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1kee h PRO 354 CO 0.70 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.64 1kee n GLU 355 N -4.25 0.21 0.00 1.05 0.00 -1.26 -3.51 120.64 112.88 1kee n GLU 355 Ca 0.13 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.31 1kee n GLU 355 Cb 0.75 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.69 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 -1.39 0.00 -2.75 -1.84 0.00 0.20 -4.86 120.51 109.87 1kee n ALA 356 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.53 1kee n ALA 356 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 1.48 -6.80 -4.95 0.00 2.88 -1.26 -4.77 113.62 100.21 1kee n SER 357 Ca 0.00 0.03 -0.24 0.00 -1.33 0.00 0.00 58.87 57.34 1kee n SER 357 Cb 0.00 -4.56 0.05 0.00 -0.75 0.00 0.00 64.21 58.94 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 -2.88 2.49 0.00 -1.46 0.04 -1.26 -4.75 135.00 127.18 1kee s PRO 358 Ca 0.04 -0.45 0.00 0.00 0.04 0.00 0.00 61.00 60.63 1kee s PRO 358 Cb -0.01 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1kee s PRO 358 CO 0.62 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1kee n GLY 359 N -2.59 3.33 3.65 0.56 0.00 -1.26 -4.82 105.19 104.06 1kee n GLY 359 Ca 0.07 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.85 1kee n GLY 359 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kee n PRO 360 N -1.60 1.63 0.00 1.61 -0.05 -1.26 -4.82 135.00 130.51 1kee n PRO 360 Ca 0.00 0.58 0.15 0.00 -0.05 0.00 0.00 63.50 64.18 1kee n PRO 360 Cb 0.00 -2.18 0.70 0.00 -0.05 0.00 0.00 33.50 31.97 1kee n PRO 360 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 175.50 176.17 1kee n HIS 361 N -0.26 0.00 -0.31 0.54 8.25 -1.26 -4.48 115.22 117.69 1kee n HIS 361 Ca 0.08 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.68 1kee n HIS 361 Cb 0.38 -0.11 0.28 0.00 1.12 0.00 0.00 29.99 31.67 1kee n HIS 361 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1kee n ASP 362 N -0.79 -0.08 -0.50 0.41 10.43 -1.26 -1.50 116.55 123.27 1kee n ASP 362 Ca 0.18 1.52 0.06 0.00 2.57 0.00 0.00 54.79 59.12 1kee n ASP 362 Cb 0.24 -0.56 0.22 0.00 1.84 0.00 0.00 41.12 42.86 1kee n ASP 362 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1kee n ALA 363 N -3.16 2.48 -0.34 2.24 0.00 -1.26 -4.43 120.51 116.04 1kee n ALA 363 Ca 0.22 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.23 1kee n ALA 363 Cb 0.72 -1.03 0.20 0.00 0.00 0.00 0.00 19.45 19.34 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 3.66 1.39 0.00 0.00 0.00 -1.30 -2.24 119.26 120.77 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 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1kee h ALA 364 CO 0.00 0.24 0.16 -2.30 0.00 0.00 0.00 179.25 177.35 1kee n PRO 365 N -4.63 0.06 0.25 0.00 -0.02 -1.26 -0.85 135.00 128.55 1kee n PRO 365 Ca 0.17 0.49 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 1kee n PRO 365 Cb 0.29 -1.84 0.61 0.00 -0.02 0.00 0.00 33.50 32.54 1kee n PRO 365 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1kee h LEU 366 N 0.00 0.00 -0.37 2.45 4.07 -1.76 -0.62 115.31 119.08 1kee h LEU 366 Ca 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 57.89 1kee h LEU 366 Cb 0.32 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.04 1kee h LEU 366 CO 0.00 0.06 -0.03 -0.26 -1.08 0.00 0.00 178.44 177.13 1kee h PHE 367 N 0.00 0.74 -0.85 1.13 0.04 -1.23 -3.10 116.94 113.68 1kee h PHE 367 Ca -0.00 -0.14 0.21 0.00 2.80 0.00 0.00 57.97 60.84 1kee h PHE 367 Cb 0.11 -0.19 -0.13 0.00 2.20 0.00 0.00 35.95 37.94 1kee h PHE 367 CO 0.00 0.79 0.26 -0.44 -0.60 0.00 0.00 178.31 178.31 1kee h ASP 368 N 0.48 0.08 -0.28 2.17 3.45 -1.24 0.18 116.42 121.26 1kee h ASP 368 Ca 0.10 0.17 -0.04 0.00 0.43 0.00 0.00 57.03 57.69 1kee h ASP 368 Cb 0.51 0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1kee h ASP 368 CO 0.03 -0.09 0.06 -0.74 -1.57 0.00 0.00 179.24 176.92 1kee h HIS 369 N 0.27 0.56 -0.57 4.55 2.76 -1.46 -1.40 115.15 119.85 1kee h HIS 369 Ca 0.52 -0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.57 1kee h HIS 369 Cb 1.00 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.77 1kee h HIS 369 CO -0.23 0.51 0.04 0.35 -1.30 0.00 0.00 177.93 177.29 1kee h PHE 370 N 0.53 1.03 -0.26 5.26 3.57 -0.69 -2.33 116.94 124.06 1kee h PHE 370 Ca 0.12 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 1kee h PHE 370 Cb 0.26 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 1kee h PHE 370 CO 0.01 0.90 0.04 0.82 -2.23 0.00 0.00 178.31 177.85 1kee h ILE 371 N 0.89 1.23 -0.55 1.41 1.08 -0.53 -1.95 117.51 119.11 1kee h ILE 371 Ca 0.17 -0.78 0.11 0.00 -0.39 0.00 0.00 64.86 63.96 1kee h ILE 371 Cb 0.47 1.24 -0.11 0.00 -3.07 0.00 0.00 36.82 35.36 1kee h ILE 371 CO 0.02 0.25 -0.26 -0.33 -0.69 0.00 0.00 178.15 177.14 1kee h GLU 372 N 0.24 -0.12 -0.84 2.37 5.08 -1.15 0.82 114.58 120.98 1kee h GLU 372 Ca 0.08 0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.53 1kee h GLU 372 Cb 0.33 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.54 1kee h GLU 372 CO 0.01 -0.08 0.50 -0.07 -1.00 0.00 0.00 179.01 178.36 1kee h LEU 373 N -0.13 0.74 0.32 1.33 3.38 -1.29 0.25 115.31 119.91 1kee h LEU 373 Ca 0.24 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 1kee h LEU 373 Cb 0.51 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1kee h LEU 373 CO -0.62 0.44 -0.15 0.40 0.09 0.00 0.00 178.44 178.59 1kee h ILE 374 N 0.86 0.66 -0.72 1.22 2.04 0.10 0.68 117.51 122.35 1kee h ILE 374 Ca 0.39 -0.61 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1kee h ILE 374 Cb 0.30 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.29 1kee h ILE 374 CO -0.22 0.11 0.47 -0.33 0.00 0.00 0.00 178.15 178.18 1kee h GLU 375 N -0.79 0.60 0.00 2.37 5.08 0.99 0.38 114.58 123.21 1kee h GLU 375 Ca -0.04 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 1kee h GLU 375 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1kee h GLU 375 CO 0.07 0.40 -0.25 0.37 -1.00 0.00 0.00 179.01 178.60 1kee h GLN 376 N 0.62 0.00 0.00 2.33 4.15 -0.40 -2.57 115.11 119.24 1kee h GLN 376 Ca 0.33 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.62 1kee h GLN 376 Cb 0.46 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.13 1kee h GLN 376 CO -0.11 0.25 -0.61 -0.92 -1.93 0.00 0.00 178.83 175.50 1kee h TYR 377 N 0.00 0.00 0.04 3.99 5.03 0.13 -3.06 116.97 123.10 1kee h TYR 377 Ca -0.00 0.00 -0.22 0.00 2.58 0.00 0.00 58.73 61.09 1kee h TYR 377 Cb 1.11 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.38 1kee h TYR 377 CO 0.00 0.61 -1.03 0.00 -1.32 0.00 0.00 178.16 176.42 1kee h ARG 378 N 0.00 0.11 -0.54 1.82 3.08 -1.27 -3.07 114.38 114.51 1kee h ARG 378 Ca -0.01 -0.17 0.03 0.00 0.07 0.00 0.00 59.98 59.91 1kee h ARG 378 Cb 1.16 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 1kee h ARG 378 CO 0.08 1.03 0.36 -0.22 -1.07 0.00 0.00 179.97 180.15 1kee h LYS 379 N 0.04 0.61 -0.02 0.04 3.64 -1.36 -3.52 116.57 116.01 1kee h LYS 379 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1kee h LYS 379 Cb 1.74 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.43 1kee h LYS 379 CO 0.15 0.40 0.00 2.41 -2.27 0.00 0.00 179.45 180.14