#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1i n ILE 3 N 0.00 2.03 -3.50 -0.39 -0.00 -1.26 -4.78 119.36 111.46 3i1i n ILE 3 Ca 0.00 -0.50 -0.38 0.00 -0.00 0.00 0.00 62.75 61.87 3i1i n ILE 3 Cb 0.00 -1.35 -0.06 0.00 -0.00 0.00 0.00 39.64 38.23 3i1i n ILE 3 CO 0.00 0.00 0.00 -0.69 -0.00 0.00 0.00 176.55 175.86 3i1i s VAL 4 N -1.09 5.02 -0.17 1.39 1.01 -0.32 -5.03 120.40 121.22 3i1i s VAL 4 Ca 0.57 0.82 -0.04 0.00 0.00 0.00 0.00 61.98 63.33 3i1i s VAL 4 Cb -0.61 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 3i1i s VAL 4 CO 0.61 0.56 -0.02 -0.75 0.00 0.00 0.00 175.10 175.50 3i1i s LYS 5 N -1.15 3.70 0.17 2.72 2.20 -1.26 -4.55 119.74 121.57 3i1i s LYS 5 Ca 0.25 -0.50 -0.30 0.00 -0.36 0.00 0.00 55.97 55.06 3i1i s LYS 5 Cb -0.17 -2.99 -0.07 0.00 -1.51 0.00 0.00 37.83 33.09 3i1i s LYS 5 CO 0.14 0.20 1.04 0.21 -0.36 0.00 0.00 175.35 176.58 3i1i s LYS 6 N 0.50 4.66 0.48 4.03 2.47 -1.26 -4.53 119.74 126.09 3i1i s LYS 6 Ca -0.02 1.62 0.03 0.00 -1.56 0.00 0.00 55.97 56.05 3i1i s LYS 6 Cb -0.14 -3.30 -0.03 0.00 -1.46 0.00 0.00 37.83 32.90 3i1i s LYS 6 CO 0.02 0.17 0.05 -1.21 0.16 0.00 0.00 175.35 174.55 3i1i s GLU 7 N -0.42 2.15 -0.02 4.03 0.41 0.41 -4.98 118.70 120.27 3i1i s GLU 7 Ca 0.47 -2.26 0.00 0.00 -0.41 0.00 0.00 54.97 52.78 3i1i s GLU 7 Cb -0.27 -1.64 0.02 0.00 -1.78 0.00 0.00 34.13 30.46 3i1i s GLU 7 CO 0.33 -0.29 0.00 0.21 -0.49 0.00 0.00 175.26 175.02 3i1i s LYS 8 N -3.87 0.23 -0.06 1.61 2.20 -1.26 -1.55 119.74 117.03 3i1i s LYS 8 Ca 0.18 0.07 0.05 0.00 -0.36 0.00 0.00 55.97 55.90 3i1i s LYS 8 Cb 0.03 -0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 35.95 3i1i s LYS 8 CO 0.09 -0.11 -0.22 0.12 -0.36 0.00 0.00 175.35 174.87 3i1i s PHE 9 N 0.84 2.51 0.03 4.03 5.36 -1.26 -4.98 117.98 124.52 3i1i s PHE 9 Ca -0.08 -0.64 0.08 0.00 -0.96 0.00 0.00 56.93 55.33 3i1i s PHE 9 Cb -0.11 -1.63 -0.03 0.00 -0.34 0.00 0.00 43.02 40.91 3i1i s PHE 9 CO -0.02 -0.16 -0.23 0.42 -1.46 0.00 0.00 175.22 173.77 3i1i s ILE 10 N -0.18 1.88 -0.08 3.12 1.09 -1.26 -4.35 121.20 121.42 3i1i s ILE 10 Ca -0.02 -1.23 0.03 0.00 -1.10 0.00 0.00 60.65 58.33 3i1i s ILE 10 Cb -0.14 -1.61 0.01 0.00 -1.06 0.00 0.00 42.46 39.66 3i1i s ILE 10 CO 0.03 0.33 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.27 3i1i s LEU 11 N -1.07 1.87 0.20 2.97 1.43 0.21 -5.00 118.68 119.29 3i1i s LEU 11 Ca 0.09 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.76 3i1i s LEU 11 Cb -0.09 -1.09 0.16 0.00 0.03 0.00 0.00 46.19 45.19 3i1i s LEU 11 CO 0.01 0.11 1.54 0.11 0.23 0.00 0.00 176.35 178.35 3i1i h LYS 12 N 6.74 0.56 -3.27 1.70 1.57 -1.91 -1.89 116.57 120.06 3i1i h LYS 12 Ca -0.26 -0.32 -0.27 0.00 -1.87 0.00 0.00 60.65 57.92 3i1i h LYS 12 Cb 1.21 0.02 -0.33 0.00 0.08 0.00 0.00 32.23 33.21 3i1i h LYS 12 CO 0.47 0.92 -0.64 -1.21 -0.57 0.00 0.00 179.45 178.43 3i1i s GLU 13 N -4.11 0.05 -0.07 3.15 0.41 -1.26 -3.48 118.70 113.39 3i1i s GLU 13 Ca -0.07 0.38 0.05 0.00 -0.41 0.00 0.00 54.97 54.91 3i1i s GLU 13 Cb 0.12 -0.23 -0.01 0.00 -1.78 0.00 0.00 34.13 32.23 3i1i s GLU 13 CO 0.83 -0.20 -0.23 -0.47 -0.49 0.00 0.00 175.26 174.70 3i1i s TYR 14 N 1.42 2.32 -0.31 1.61 5.04 0.71 -4.94 117.35 123.19 3i1i s TYR 14 Ca -0.06 -0.77 -0.14 0.00 -2.44 0.00 0.00 57.07 53.65 3i1i s TYR 14 Cb -0.12 -1.54 -0.02 0.00 0.35 0.00 0.00 41.96 40.63 3i1i s TYR 14 CO -0.05 -0.27 0.32 0.99 -1.34 0.00 0.00 175.55 175.20 3i1i s THR 15 N 0.04 5.21 0.75 4.34 2.01 -1.26 -1.98 115.64 124.75 3i1i s THR 15 Ca -0.08 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 61.97 3i1i s THR 15 Cb -0.15 -3.73 0.04 0.00 0.01 0.00 0.00 72.50 68.67 3i1i s THR 15 CO 0.05 0.03 1.08 -0.36 -0.69 0.00 0.00 174.62 174.73 3i1i s PHE 16 N 1.96 2.80 0.55 4.92 0.08 0.77 -4.88 117.98 124.18 3i1i s PHE 16 Ca 0.11 1.44 0.23 0.00 0.12 0.00 0.00 56.93 58.83 3i1i s PHE 16 Cb -0.16 -2.99 1.52 0.00 -0.57 0.00 0.00 43.02 40.81 3i1i s PHE 16 CO 0.11 -1.61 2.16 1.49 -0.10 0.00 0.00 175.22 177.27 3i1i h GLU 17 N -0.99 0.00 -0.08 0.44 4.57 -1.89 0.38 114.58 117.02 3i1i h GLU 17 Ca -0.44 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 3i1i h GLU 17 Cb 1.23 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.82 3i1i h GLU 17 CO 0.55 0.00 0.00 0.27 -1.18 0.00 0.00 179.01 178.65 3i1i n ASN 18 N -4.19 0.82 0.00 1.04 0.23 -1.26 -4.91 115.26 106.98 3i1i n ASN 18 Ca -0.01 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.48 3i1i n ASN 18 Cb 0.18 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 3i1i n ASN 18 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i1i n GLY 19 N 0.96 0.50 3.76 4.83 0.00 0.13 -5.05 105.19 110.32 3i1i n GLY 19 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3i1i n GLY 19 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1i s ARG 20 N -0.84 4.53 -0.18 1.61 6.06 -1.26 -4.71 118.95 124.16 3i1i s ARG 20 Ca 0.00 1.94 0.00 0.00 -2.50 0.00 0.00 55.73 55.18 3i1i s ARG 20 Cb 0.00 -3.16 0.02 0.00 0.06 0.00 0.00 34.95 31.86 3i1i s ARG 20 CO 0.00 0.04 -0.18 0.99 -2.50 0.00 0.00 175.30 173.64 3i1i s THR 21 N -0.94 2.22 0.07 4.11 2.01 -1.26 -0.16 115.64 121.69 3i1i s THR 21 Ca 0.47 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 61.53 3i1i s THR 21 Cb -0.34 -1.94 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3i1i s THR 21 CO 0.44 0.53 0.11 0.27 -0.69 0.00 0.00 174.62 175.27 3i1i s ILE 22 N 1.31 0.17 0.41 1.82 -4.36 -0.84 -4.92 121.20 114.79 3i1i s ILE 22 Ca 0.05 -1.41 -0.26 0.00 -0.26 0.00 0.00 60.65 58.77 3i1i s ILE 22 Cb -0.13 -1.39 -0.09 0.00 1.25 0.00 0.00 42.46 42.10 3i1i s ILE 22 CO -0.12 -0.78 1.29 -2.84 0.24 0.00 0.00 174.94 172.73 3i1i s PRO 23 N -3.85 3.97 0.07 0.37 0.02 -1.23 -0.21 135.00 134.15 3i1i s PRO 23 Ca 0.05 2.13 0.02 0.00 0.02 0.00 0.00 61.00 63.23 3i1i s PRO 23 Cb 0.06 -2.75 -0.03 0.00 0.02 0.00 0.00 34.50 31.80 3i1i s PRO 23 CO -0.10 -0.48 -0.07 0.14 -0.33 0.00 0.00 177.00 176.15 3i1i s VAL 24 N -1.27 0.61 0.00 3.83 -7.23 -0.71 -4.90 120.40 110.73 3i1i s VAL 24 Ca 0.57 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 59.24 3i1i s VAL 24 Cb -0.37 -1.14 0.00 0.00 0.56 0.00 0.00 36.38 35.43 3i1i s VAL 24 CO 0.48 -0.62 0.00 0.00 -0.31 0.00 0.00 175.10 174.65 3i1i n GLN 25 N 0.72 0.99 -4.39 4.82 10.64 -1.26 -0.62 117.38 128.27 3i1i n GLN 25 Ca -0.18 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.75 3i1i n GLN 25 Cb 0.58 0.00 -0.11 0.00 -0.86 0.00 0.00 30.24 29.85 3i1i n GLN 25 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3i1i s GLY 27 N -0.74 1.61 0.31 2.61 0.00 0.78 -3.54 107.32 108.36 3i1i s GLY 27 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 44.72 42.91 3i1i s GLY 27 CO 0.00 -1.69 0.69 -2.52 0.00 0.00 0.00 173.10 169.58 3i1i s TYR 28 N -2.05 0.05 0.09 1.90 -0.85 -0.59 -1.03 117.35 114.88 3i1i s TYR 28 Ca 0.21 -0.55 -0.21 0.00 -0.52 0.00 0.00 57.07 56.00 3i1i s TYR 28 Cb -0.06 0.62 0.05 0.00 0.38 0.00 0.00 41.96 42.95 3i1i s TYR 28 CO 0.09 -1.29 0.51 -1.83 -1.52 0.00 0.00 175.55 171.51 3i1i s GLU 29 N -3.42 1.09 0.08 -3.49 -1.05 -0.50 -0.44 118.70 110.98 3i1i s GLU 29 Ca 0.15 -0.39 0.02 0.00 -0.15 0.00 0.00 54.97 54.60 3i1i s GLU 29 Cb -0.05 0.49 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 3i1i s GLU 29 CO 0.09 -0.42 -0.07 0.95 0.95 0.00 0.00 175.26 176.76 3i1i s THR 30 N -3.02 0.68 0.03 1.83 -4.23 -1.26 -1.88 115.64 107.78 3i1i s THR 30 Ca -0.02 -1.70 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 3i1i s THR 30 Cb -0.00 -1.39 -0.02 0.00 1.34 0.00 0.00 72.50 72.43 3i1i s THR 30 CO -0.06 -0.73 -0.05 -0.31 -0.54 0.00 0.00 174.62 172.93 3i1i s TYR 31 N -2.97 0.46 0.00 3.99 2.02 -0.13 -4.79 117.35 115.93 3i1i s TYR 31 Ca 0.06 -0.52 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 3i1i s TYR 31 Cb 0.01 -0.29 0.00 0.00 -0.40 0.00 0.00 41.96 41.27 3i1i s TYR 31 CO -0.03 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 3i1i n GLY 32 N 1.53 -1.34 3.02 0.71 0.00 -1.26 -0.79 105.19 107.06 3i1i n GLY 32 Ca -0.23 -1.25 -0.25 0.00 0.00 0.00 0.00 46.02 44.29 3i1i n GLY 32 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1i s THR 33 N 0.00 1.15 0.11 2.61 2.01 -1.26 -4.85 115.64 115.41 3i1i s THR 33 Ca 0.00 -0.48 -0.31 0.00 0.31 0.00 0.00 61.69 61.21 3i1i s THR 33 Cb 0.00 -1.05 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 3i1i s THR 33 CO 0.00 0.36 1.38 -0.22 -0.69 0.00 0.00 174.62 175.45 3i1i s LEU 34 N 0.68 4.37 0.81 4.42 2.96 -1.26 -4.13 118.68 126.53 3i1i s LEU 34 Ca -0.14 2.30 -0.11 0.00 -0.22 0.00 0.00 54.13 55.96 3i1i s LEU 34 Cb -0.16 -3.59 0.10 0.00 0.50 0.00 0.00 46.19 43.05 3i1i s LEU 34 CO 0.04 -0.64 1.16 0.54 -1.32 0.00 0.00 176.35 176.12 3i1i s ASN 35 N 1.11 4.30 0.27 3.68 2.20 -1.26 -4.92 114.94 120.32 3i1i s ASN 35 Ca 0.64 0.55 -0.01 0.00 -0.94 0.00 0.00 52.86 53.10 3i1i s ASN 35 Cb -0.36 -0.98 0.37 0.00 -2.00 0.00 0.00 41.25 38.27 3i1i s ASN 35 CO 0.30 -1.99 1.77 0.08 -2.94 0.00 0.00 177.10 174.32 3i1i h ARG 36 N -1.03 0.75 0.00 3.55 0.11 -2.03 -0.58 114.38 115.14 3i1i h ARG 36 Ca -0.45 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.43 3i1i h ARG 36 Cb 1.30 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.29 3i1i h ARG 36 CO 0.58 0.76 -0.03 0.39 0.10 0.00 0.00 179.97 181.77 3i1i n GLU 37 N -4.22 0.06 -3.38 0.08 4.71 -1.26 -4.92 120.64 111.71 3i1i n GLU 37 Ca 0.02 0.04 -0.24 0.00 -0.01 0.00 0.00 57.16 56.98 3i1i n GLU 37 Cb 0.29 -1.56 0.06 0.00 -1.01 0.00 0.00 31.44 29.22 3i1i n GLU 37 CO 0.00 0.00 0.00 0.54 0.09 0.00 0.00 177.13 177.76 3i1i n ARG 38 N -1.66 -6.56 -0.13 3.49 1.74 -0.23 -4.90 116.66 108.42 3i1i n ARG 38 Ca 0.07 0.85 0.09 0.00 -0.77 0.00 0.00 57.85 58.08 3i1i n ARG 38 Cb 0.36 -5.82 0.15 0.00 -1.02 0.00 0.00 32.46 26.13 3i1i n ARG 38 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3i1i n SER 39 N -2.80 2.89 -1.26 0.55 3.41 -1.26 -4.58 113.62 110.56 3i1i n SER 39 Ca -0.04 -1.85 -0.08 0.00 -0.26 0.00 0.00 58.87 56.65 3i1i n SER 39 Cb 0.58 -0.17 0.16 0.00 -0.26 0.00 0.00 64.21 64.52 3i1i n SER 39 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i1i n ASN 40 N 1.01 3.09 -4.71 4.04 6.94 -1.26 -4.53 115.26 119.83 3i1i n ASN 40 Ca 0.14 -3.82 -0.37 0.00 -0.02 0.00 0.00 54.58 50.50 3i1i n ASN 40 Cb 0.47 -0.56 -0.07 0.00 -2.36 0.00 0.00 39.78 37.26 3i1i n ASN 40 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i1i s VAL 41 N -3.65 5.23 -0.16 3.53 1.01 -1.26 0.07 120.40 125.17 3i1i s VAL 41 Ca 0.45 0.77 0.02 0.00 0.00 0.00 0.00 61.98 63.22 3i1i s VAL 41 Cb 0.40 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 33.06 3i1i s VAL 41 CO -0.01 0.33 -0.20 -0.63 0.00 0.00 0.00 175.10 174.58 3i1i s ILE 42 N 0.72 2.12 -0.22 2.22 1.01 -0.34 0.21 121.20 126.92 3i1i s ILE 42 Ca 0.21 -0.94 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 3i1i s ILE 42 Cb -0.14 -1.87 -0.05 0.00 0.01 0.00 0.00 42.46 40.41 3i1i s ILE 42 CO 0.08 0.54 0.22 -0.22 0.00 0.00 0.00 174.94 175.55 3i1i s LEU 43 N 1.02 4.15 -0.13 2.97 2.96 -0.36 -0.96 118.68 128.33 3i1i s LEU 43 Ca -0.02 0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 54.11 3i1i s LEU 43 Cb -0.14 -2.21 -0.03 0.00 0.50 0.00 0.00 46.19 44.30 3i1i s LEU 43 CO -0.06 0.06 0.01 -0.63 -1.32 0.00 0.00 176.35 174.41 3i1i s ILE 44 N 0.91 4.38 -0.05 6.68 -1.09 0.74 -4.21 121.20 128.55 3i1i s ILE 44 Ca 0.11 -0.20 0.04 0.00 -2.23 0.00 0.00 60.65 58.37 3i1i s ILE 44 Cb -0.13 -2.90 -0.02 0.00 -1.58 0.00 0.00 42.46 37.83 3i1i s ILE 44 CO 0.04 0.54 -0.15 0.00 -1.23 0.00 0.00 174.94 174.13 3i1i s HIS 46 N -0.64 3.51 0.69 0.00 -3.43 -1.26 -4.15 115.29 110.01 3i1i s HIS 46 Ca 0.09 0.62 -0.01 0.00 -0.80 0.00 0.00 55.06 54.96 3i1i s HIS 46 Cb -0.11 -2.12 0.10 0.00 -1.43 0.00 0.00 32.58 29.02 3i1i s HIS 46 CO 0.01 -0.02 0.96 1.52 -2.00 0.00 0.00 174.74 175.21 3i1i s TYR 47 N -2.41 2.00 0.06 0.38 -0.85 -1.26 -2.43 117.35 112.83 3i1i s TYR 47 Ca 0.44 -0.13 -0.11 0.00 -0.52 0.00 0.00 57.07 56.75 3i1i s TYR 47 Cb -0.10 -2.99 -0.02 0.00 0.38 0.00 0.00 41.96 39.22 3i1i s TYR 47 CO 0.37 -1.52 0.85 0.34 -1.52 0.00 0.00 175.55 174.07 3i1i n PHE 48 N -2.76 -0.16 0.71 -3.49 7.35 -1.26 -1.50 117.46 116.35 3i1i n PHE 48 Ca 0.13 0.44 0.12 0.00 -0.76 0.00 0.00 57.45 57.38 3i1i n PHE 48 Cb 0.60 -0.45 0.23 0.00 0.35 0.00 0.00 39.48 40.22 3i1i n PHE 48 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 3i1i n SER 49 N -3.82 2.93 -1.72 -2.13 3.41 -1.26 -4.64 113.62 106.40 3i1i n SER 49 Ca 0.01 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 3i1i n SER 49 Cb 0.09 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 3i1i n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i1i n ALA 50 N 1.18 0.00 -3.74 7.33 0.00 -0.56 -4.67 120.51 120.05 3i1i n ALA 50 Ca 0.18 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.54 3i1i n ALA 50 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.99 3i1i n ALA 50 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3i1i n THR 51 N 0.00 0.00 0.18 0.00 -2.24 -1.26 -4.76 114.28 106.20 3i1i n THR 51 Ca 0.00 -1.18 0.11 0.00 -2.27 0.00 0.00 64.05 60.71 3i1i n THR 51 Cb 0.00 0.83 0.60 0.00 -2.10 0.00 0.00 70.33 69.65 3i1i n THR 51 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i1i n SER 52 N -1.62 0.58 -3.69 3.42 3.41 -1.25 -4.36 113.62 110.10 3i1i n SER 52 Ca -0.02 0.76 -0.43 0.00 -0.26 0.00 0.00 58.87 58.93 3i1i n SER 52 Cb 0.46 -0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 63.54 3i1i n SER 52 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3i1i n HIS 53 N -2.28 2.92 0.18 7.33 -0.00 -1.26 -4.57 115.22 117.55 3i1i n HIS 53 Ca -0.01 -2.54 0.06 0.00 -0.00 0.00 0.00 57.72 55.22 3i1i n HIS 53 Cb 0.05 -2.24 0.28 0.00 -0.00 0.00 0.00 29.99 28.08 3i1i n HIS 53 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1i h ALA 54 N 6.71 0.91 -2.86 1.57 0.00 -1.90 -1.53 119.26 122.15 3i1i h ALA 54 Ca 0.52 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3i1i h ALA 54 Cb 0.65 -0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.27 3i1i h ALA 54 CO 1.92 0.46 0.04 0.00 0.00 0.00 0.00 179.25 181.67 3i1i s ALA 55 N -3.43 -1.11 0.00 0.00 0.00 -1.26 -0.76 121.76 115.20 3i1i s ALA 55 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.99 3i1i s ALA 55 Cb 0.10 0.80 0.00 0.00 0.00 0.00 0.00 23.12 24.02 3i1i s ALA 55 CO 0.69 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 176.12 3i1i n GLY 56 N -0.31 -0.32 3.05 0.00 0.00 -1.26 -4.32 105.19 102.03 3i1i n GLY 56 Ca -0.14 -1.07 -0.09 0.00 0.00 0.00 0.00 46.02 44.72 3i1i n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1i s LYS 57 N 0.00 0.44 0.12 1.61 1.02 -1.26 -1.53 119.74 120.14 3i1i s LYS 57 Ca 0.00 -0.63 0.16 0.00 0.02 0.00 0.00 55.97 55.52 3i1i s LYS 57 Cb 0.00 0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.40 3i1i s LYS 57 CO 0.00 -0.09 1.00 1.88 -0.92 0.00 0.00 175.35 177.22 3i1i h TYR 58 N 4.22 0.00 -4.20 3.18 0.05 -1.91 -0.83 116.97 117.48 3i1i h TYR 58 Ca -0.32 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.33 3i1i h TYR 58 Cb 1.19 0.00 -0.16 0.00 1.01 0.00 0.00 36.73 38.78 3i1i h TYR 58 CO 0.61 0.55 -0.68 0.95 -1.05 0.00 0.00 178.16 178.54 3i1i s THR 59 N -2.94 0.23 -1.02 -2.88 -4.23 -1.26 -4.67 115.64 98.88 3i1i s THR 59 Ca -0.01 -1.74 0.16 0.00 -1.18 0.00 0.00 61.69 58.93 3i1i s THR 59 Cb 0.08 -1.42 0.14 0.00 1.34 0.00 0.00 72.50 72.65 3i1i s THR 59 CO 0.79 -0.95 1.52 0.00 -0.54 0.00 0.00 174.62 175.44 3i1i n ALA 60 N 0.24 1.75 -0.67 3.99 0.00 -1.26 -2.25 120.51 122.30 3i1i n ALA 60 Ca -0.15 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.32 3i1i n ALA 60 Cb 0.60 -1.26 0.35 0.00 0.00 0.00 0.00 19.45 19.15 3i1i n ALA 60 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i1i n HIS 61 N -1.49 1.51 -1.99 0.00 1.44 -1.26 -4.95 115.22 108.48 3i1i n HIS 61 Ca 0.04 -0.64 -0.42 0.00 -2.01 0.00 0.00 57.72 54.69 3i1i n HIS 61 Cb 0.19 -0.28 -0.03 0.00 0.12 0.00 0.00 29.99 29.99 3i1i n HIS 61 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3i1i s ASP 62 N -0.96 6.65 0.14 4.39 1.01 -0.95 -4.91 116.67 122.03 3i1i s ASP 62 Ca 0.50 2.52 -0.18 0.00 0.71 0.00 0.00 52.55 56.10 3i1i s ASP 62 Cb 0.34 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.65 3i1i s ASP 62 CO 0.22 -0.80 1.80 -0.33 0.21 0.00 0.00 175.17 176.27 3i1i h GLU 63 N 7.08 0.39 -6.14 8.23 4.39 -1.92 -3.44 114.58 123.17 3i1i h GLU 63 Ca -0.42 -0.02 -0.58 0.00 0.34 0.00 0.00 59.36 58.68 3i1i h GLU 63 Cb 1.20 -0.09 -0.11 0.00 -0.10 0.00 0.00 28.75 29.66 3i1i h GLU 63 CO 0.91 0.26 -0.65 -1.21 -1.16 0.00 0.00 179.01 177.15 3i1i s GLU 64 N -6.17 2.10 0.48 2.33 2.02 -1.26 -5.16 118.70 113.04 3i1i s GLU 64 Ca -0.13 -1.61 0.08 0.00 0.02 0.00 0.00 54.97 53.33 3i1i s GLU 64 Cb 0.10 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.35 3i1i s GLU 64 CO 0.71 0.27 0.55 -1.12 0.02 0.00 0.00 175.26 175.69 3i1i s SER 65 N -3.66 5.18 0.95 -0.19 0.01 -1.26 -4.83 113.70 109.90 3i1i s SER 65 Ca 0.33 -0.75 -0.11 0.00 1.31 0.00 0.00 55.95 56.72 3i1i s SER 65 Cb -0.04 -0.21 0.16 0.00 0.21 0.00 0.00 66.02 66.14 3i1i s SER 65 CO 0.19 -0.94 1.10 -0.83 0.41 0.00 0.00 173.24 173.16 3i1i s GLY 66 N -4.37 1.63 0.33 3.44 0.00 -0.58 -4.89 107.32 102.88 3i1i s GLY 66 Ca 0.52 0.20 0.26 0.00 0.00 0.00 0.00 44.72 45.70 3i1i s GLY 66 CO 0.32 0.70 1.78 0.11 0.00 0.00 0.00 173.10 176.00 3i1i h TRP 67 N -1.86 0.00 -0.15 1.90 5.08 -1.23 -1.76 115.95 117.93 3i1i h TRP 67 Ca -0.49 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.34 3i1i h TRP 67 Cb 1.28 0.00 -0.16 0.00 -3.00 0.00 0.00 29.16 27.28 3i1i h TRP 67 CO 0.44 0.00 -0.68 0.91 -1.28 0.00 0.00 178.44 177.82 3i1i n TRP 68 N -2.42 0.54 -0.21 0.12 7.02 0.06 -4.87 117.44 117.66 3i1i n TRP 68 Ca 0.01 -1.48 0.04 0.00 -1.02 0.00 0.00 57.50 55.06 3i1i n TRP 68 Cb 0.22 -0.25 0.30 0.00 -2.42 0.00 0.00 31.31 29.17 3i1i n TRP 68 CO 0.00 0.00 0.00 0.22 -2.02 0.00 0.00 177.69 175.89 3i1i h ASP 69 N 1.28 0.76 0.08 -0.99 3.58 -1.08 -0.66 116.42 119.40 3i1i h ASP 69 Ca 0.01 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 3i1i h ASP 69 Cb 1.27 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.15 3i1i h ASP 69 CO 0.16 0.51 -0.03 1.23 -2.88 0.00 0.00 179.24 178.23 3i1i h GLY 70 N 0.88 0.00 0.83 -0.78 0.00 -1.89 -2.80 103.07 99.30 3i1i h GLY 70 Ca 0.32 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.40 3i1i h GLY 70 CO -0.10 0.00 -1.71 1.04 0.00 0.00 0.00 176.54 175.77 3i1i n LEU 71 N -3.77 0.73 -4.28 3.11 4.77 -0.29 -4.72 117.00 112.54 3i1i n LEU 71 Ca -0.03 0.34 -0.35 0.00 -0.03 0.00 0.00 56.01 55.95 3i1i n LEU 71 Cb 0.12 0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 3i1i n LEU 71 CO 0.28 0.31 -0.41 -0.63 -1.33 0.00 0.00 177.39 175.61 3i1i s ILE 72 N -2.71 3.13 -5.00 -0.08 1.01 -1.02 -0.91 121.20 115.61 3i1i s ILE 72 Ca -0.05 -0.58 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3i1i s ILE 72 Cb 0.08 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 40.15 3i1i s ILE 72 CO 0.82 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.82 3i1i n GLY 73 N 4.66 -1.39 3.68 6.18 0.00 -0.89 -4.75 105.19 112.68 3i1i n GLY 73 Ca -0.19 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 43.95 3i1i n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3i1i n PRO 74 N -0.60 2.50 -0.87 1.61 -0.02 -1.26 -1.24 135.00 135.12 3i1i n PRO 74 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 3i1i n PRO 74 Cb 0.00 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 30.70 3i1i n PRO 74 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i1i n GLY 75 N 4.22 0.43 3.95 -1.23 0.00 -1.26 -4.93 105.19 106.36 3i1i n GLY 75 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 3i1i n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1i n LYS 76 N -1.64 -0.21 -0.31 1.61 5.02 -0.38 -4.97 118.16 117.28 3i1i n LYS 76 Ca 0.00 -2.72 -0.01 0.00 -2.02 0.00 0.00 58.31 53.56 3i1i n LYS 76 Cb 0.10 -0.73 0.17 0.00 -0.02 0.00 0.00 35.03 34.55 3i1i n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i1i h ALA 77 N -0.70 1.37 -2.99 7.82 0.00 -1.82 -2.71 119.26 120.24 3i1i h ALA 77 Ca -0.34 -0.06 -0.75 0.00 0.00 0.00 0.00 54.91 53.76 3i1i h ALA 77 Cb 1.24 -0.36 -0.31 0.00 0.00 0.00 0.00 17.79 18.37 3i1i h ALA 77 CO 0.36 0.58 -0.11 0.42 0.00 0.00 0.00 179.25 180.50 3i1i s ILE 78 N -6.00 4.72 -0.52 0.00 1.01 -0.09 -4.20 121.20 116.13 3i1i s ILE 78 Ca -0.12 -2.76 -0.27 0.00 0.00 0.00 0.00 60.65 57.50 3i1i s ILE 78 Cb 0.18 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.71 3i1i s ILE 78 CO 0.80 -0.97 1.09 -0.62 0.00 0.00 0.00 174.94 175.25 3i1i s ASP 79 N 1.39 6.51 0.00 3.58 2.15 -1.02 -2.09 116.67 127.20 3i1i s ASP 79 Ca 0.18 0.18 0.15 0.00 0.43 0.00 0.00 52.55 53.49 3i1i s ASP 79 Cb -0.15 -2.52 0.72 0.00 -0.30 0.00 0.00 42.92 40.68 3i1i s ASP 79 CO -0.06 -1.29 1.46 0.35 -0.17 0.00 0.00 175.17 175.46 3i1i n THR 80 N 6.63 0.74 0.72 1.71 -2.24 -1.01 -0.51 114.28 120.32 3i1i n THR 80 Ca 0.08 0.19 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 3i1i n THR 80 Cb 0.49 -0.93 0.46 0.00 -2.10 0.00 0.00 70.33 68.25 3i1i n THR 80 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i1i n ASN 81 N -1.38 0.06 0.00 3.42 3.02 -1.26 -4.19 115.26 114.93 3i1i n ASN 81 Ca 0.06 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.12 3i1i n ASN 81 Cb 0.15 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3i1i n ASN 81 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3i1i n GLN 82 N -1.56 2.26 -4.26 3.52 7.27 -0.03 -4.99 117.38 119.59 3i1i n GLN 82 Ca 0.05 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.83 3i1i n GLN 82 Cb 0.26 -0.94 -0.10 0.00 2.41 0.00 0.00 30.24 31.87 3i1i n GLN 82 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3i1i s TYR 83 N -1.87 2.66 -0.35 3.69 2.02 0.33 -4.89 117.35 118.93 3i1i s TYR 83 Ca 0.00 -0.20 -0.14 0.00 -0.37 0.00 0.00 57.07 56.35 3i1i s TYR 83 Cb 0.00 -1.37 -0.01 0.00 -0.40 0.00 0.00 41.96 40.18 3i1i s TYR 83 CO 0.00 0.44 0.32 0.12 -1.57 0.00 0.00 175.55 174.86 3i1i s PHE 84 N -1.33 3.22 -0.14 2.71 5.36 0.11 -3.99 117.98 123.91 3i1i s PHE 84 Ca 0.21 -0.14 -0.04 0.00 -0.96 0.00 0.00 56.93 56.01 3i1i s PHE 84 Cb -0.10 -2.61 -0.03 0.00 -0.34 0.00 0.00 43.02 39.93 3i1i s PHE 84 CO 0.13 -0.43 -0.02 0.08 -1.46 0.00 0.00 175.22 173.52 3i1i s VAL 85 N 1.90 4.04 0.07 3.12 1.01 0.03 -1.20 120.40 129.38 3i1i s VAL 85 Ca 0.09 -0.31 0.09 0.00 0.00 0.00 0.00 61.98 61.85 3i1i s VAL 85 Cb -0.17 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.42 3i1i s VAL 85 CO 0.11 0.51 -0.25 -0.63 0.00 0.00 0.00 175.10 174.84 3i1i s ILE 86 N 0.12 2.07 -0.07 2.22 1.01 -0.14 -0.95 121.20 125.46 3i1i s ILE 86 Ca -0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 60.65 59.11 3i1i s ILE 86 Cb -0.13 -1.79 0.02 0.00 0.01 0.00 0.00 42.46 40.56 3i1i s ILE 86 CO 0.02 0.26 0.24 0.00 0.00 0.00 0.00 174.94 175.46 3i1i s THR 88 N -0.17 1.72 0.10 0.00 -4.23 -1.26 -1.40 115.64 110.40 3i1i s THR 88 Ca -0.03 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.19 3i1i s THR 88 Cb -0.03 -1.86 -0.06 0.00 1.34 0.00 0.00 72.50 71.89 3i1i s THR 88 CO 0.01 -0.43 0.98 -1.81 -0.54 0.00 0.00 174.62 172.83 3i1i s ASP 89 N -2.85 7.45 0.51 3.99 1.01 -0.19 -3.91 116.67 122.67 3i1i s ASP 89 Ca 0.17 1.80 -0.20 0.00 0.71 0.00 0.00 52.55 55.04 3i1i s ASP 89 Cb -0.04 -2.59 -0.08 0.00 1.01 0.00 0.00 42.92 41.23 3i1i s ASP 89 CO 0.06 -0.12 1.06 0.20 0.21 0.00 0.00 175.17 176.59 3i1i s ASN 90 N 0.16 6.15 0.53 0.27 0.01 -1.26 -4.57 114.94 116.22 3i1i s ASN 90 Ca 0.48 1.99 -0.19 0.00 -0.71 0.00 0.00 52.86 54.43 3i1i s ASN 90 Cb -0.24 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 38.76 3i1i s ASN 90 CO 0.30 -0.91 0.57 0.18 -1.51 0.00 0.00 177.10 175.73 3i1i n LEU 91 N -1.10 0.77 -3.53 0.60 4.77 -1.26 -2.60 117.00 114.65 3i1i n LEU 91 Ca 0.10 0.80 -0.26 0.00 -0.03 0.00 0.00 56.01 56.62 3i1i n LEU 91 Cb 0.52 -1.18 -0.00 0.00 -2.33 0.00 0.00 43.42 40.43 3i1i n LEU 91 CO 0.41 -2.89 -0.01 0.00 -1.33 0.00 0.00 177.39 173.56 3i1i n ASN 93 N -2.41 2.27 0.11 0.00 2.85 -1.07 -4.66 115.26 112.33 3i1i n ASN 93 Ca 0.00 1.13 -0.04 0.00 -0.11 0.00 0.00 54.58 55.56 3i1i n ASN 93 Cb 0.54 -1.34 0.06 0.00 1.24 0.00 0.00 39.78 40.28 3i1i n ASN 93 CO 0.00 0.00 0.00 -0.37 -2.11 0.00 0.00 177.26 174.78 3i1i h VAL 94 N 3.03 1.52 -0.09 3.44 -1.51 -1.85 -3.30 116.25 117.49 3i1i h VAL 94 Ca -0.45 -2.53 -0.39 0.00 -1.23 0.00 0.00 66.70 62.10 3i1i h VAL 94 Cb 1.30 2.37 -0.04 0.00 -2.13 0.00 0.00 31.29 32.79 3i1i h VAL 94 CO 0.76 0.73 1.21 0.00 -1.23 0.00 0.00 177.57 179.03 3i1i n GLN 95 N -3.67 2.69 0.21 5.19 6.02 -1.26 -1.43 117.38 125.13 3i1i n GLN 95 Ca -0.01 -1.56 0.08 0.00 -0.01 0.00 0.00 57.00 55.50 3i1i n GLN 95 Cb 0.73 -2.30 0.41 0.00 1.02 0.00 0.00 30.24 30.09 3i1i n GLN 95 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.06 175.81 3i1i h VAL 96 N 2.36 0.69 0.00 5.09 3.04 -1.66 -2.08 116.25 123.69 3i1i h VAL 96 Ca 0.45 -1.28 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 3i1i h VAL 96 Cb 1.01 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 32.13 3i1i h VAL 96 CO 0.84 0.28 0.00 0.11 -1.01 0.00 0.00 177.57 177.79 3i1i h LYS 97 N 0.00 0.00 -6.41 4.17 1.57 -1.81 -3.45 116.57 110.65 3i1i h LYS 97 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.24 3i1i h LYS 97 Cb 0.81 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.14 3i1i h LYS 97 CO 0.04 0.00 1.07 1.21 -0.57 0.00 0.00 179.45 181.20 3i1i s ASN 98 N -5.87 6.57 0.22 0.86 3.84 -0.78 -4.89 114.94 114.88 3i1i s ASN 98 Ca 0.06 2.51 0.24 0.00 0.21 0.00 0.00 52.86 55.89 3i1i s ASN 98 Cb 0.07 -2.55 0.91 0.00 -0.55 0.00 0.00 41.25 39.12 3i1i s ASN 98 CO 0.63 -0.94 1.74 -0.81 -2.79 0.00 0.00 177.10 174.93 3i1i n PRO 99 N 6.20 0.21 0.00 0.43 -0.04 -1.26 -2.10 135.00 138.44 3i1i n PRO 99 Ca 0.17 0.31 0.15 0.00 -0.04 0.00 0.00 63.50 64.09 3i1i n PRO 99 Cb 0.41 -1.82 0.82 0.00 -0.04 0.00 0.00 33.50 32.87 3i1i n PRO 99 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i1i n HIS 100 N -2.19 0.00 -3.69 0.54 8.25 -1.26 -4.88 115.22 111.99 3i1i n HIS 100 Ca 0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.14 3i1i n HIS 100 Cb 0.31 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.19 3i1i n HIS 100 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3i1i s VAL 101 N -2.32 5.38 -0.21 1.59 1.01 -0.89 -5.00 120.40 119.96 3i1i s VAL 101 Ca 0.36 0.30 0.01 0.00 0.00 0.00 0.00 61.98 62.65 3i1i s VAL 101 Cb 0.21 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 33.12 3i1i s VAL 101 CO 0.41 0.45 -0.09 -0.63 0.00 0.00 0.00 175.10 175.24 3i1i s ILE 102 N 0.19 1.65 0.16 2.22 1.01 -1.26 -4.99 121.20 120.18 3i1i s ILE 102 Ca 0.11 -1.09 -0.06 0.00 0.00 0.00 0.00 60.65 59.62 3i1i s ILE 102 Cb -0.12 -1.77 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 3i1i s ILE 102 CO 0.01 0.10 0.20 0.28 0.00 0.00 0.00 174.94 175.53 3i1i s THR 103 N 1.38 0.06 -0.09 2.92 -1.32 -1.26 -0.16 115.64 117.18 3i1i s THR 103 Ca -0.03 -1.65 0.04 0.00 -1.21 0.00 0.00 61.69 58.85 3i1i s THR 103 Cb -0.17 -2.02 -0.00 0.00 -1.51 0.00 0.00 72.50 68.80 3i1i s THR 103 CO -0.08 -0.29 -0.23 -0.89 -2.21 0.00 0.00 174.62 170.92 3i1i s THR 104 N -4.02 1.96 0.00 5.08 2.01 -1.23 -4.72 115.64 114.72 3i1i s THR 104 Ca 0.23 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.25 3i1i s THR 104 Cb 0.05 -1.70 0.00 0.00 0.01 0.00 0.00 72.50 70.86 3i1i s THR 104 CO 0.03 0.54 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3i1i n GLY 105 N 3.45 1.34 0.29 4.40 0.00 -1.26 -1.05 105.19 112.35 3i1i n GLY 105 Ca -0.19 -0.83 0.17 0.00 0.00 0.00 0.00 46.02 45.17 3i1i n GLY 105 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i1i h PRO 106 N 0.00 0.00 0.00 1.61 0.11 -1.92 0.39 132.00 132.19 3i1i h PRO 106 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3i1i h PRO 106 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3i1i h PRO 106 CO 0.00 0.05 0.00 1.63 -0.21 0.00 0.00 178.00 179.47 3i1i n LYS 107 N -3.43 0.26 -2.14 1.05 4.76 -1.26 -1.34 118.16 116.05 3i1i n LYS 107 Ca -0.02 0.24 -0.34 0.00 -2.87 0.00 0.00 58.31 55.32 3i1i n LYS 107 Cb 0.17 -1.82 0.01 0.00 -1.84 0.00 0.00 35.03 31.55 3i1i n LYS 107 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 3i1i s SER 108 N -4.51 5.63 -0.01 4.39 0.01 0.13 -4.79 113.70 114.55 3i1i s SER 108 Ca 0.10 2.08 -0.30 0.00 1.31 0.00 0.00 55.95 59.14 3i1i s SER 108 Cb 0.12 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.75 3i1i s SER 108 CO 0.57 -1.28 1.02 -0.63 0.41 0.00 0.00 173.24 173.33 3i1i s ILE 109 N -1.98 4.73 -0.14 1.44 -1.09 -1.26 -1.61 121.20 121.29 3i1i s ILE 109 Ca 0.70 1.97 -0.29 0.00 -2.23 0.00 0.00 60.65 60.80 3i1i s ILE 109 Cb -0.22 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.38 3i1i s ILE 109 CO 0.31 0.13 1.26 0.21 -1.23 0.00 0.00 174.94 175.61 3i1i s ASN 110 N 1.04 6.96 0.40 3.58 3.84 0.19 -4.86 114.94 126.09 3i1i s ASN 110 Ca 0.52 1.73 0.19 0.00 0.21 0.00 0.00 52.86 55.52 3i1i s ASN 110 Cb -0.22 -2.54 0.82 0.00 -0.55 0.00 0.00 41.25 38.76 3i1i s ASN 110 CO 0.27 -0.73 1.80 1.55 -2.79 0.00 0.00 177.10 177.20 3i1i h PRO 111 N 8.07 0.00 0.00 0.43 0.14 -1.95 0.25 132.00 138.94 3i1i h PRO 111 Ca -0.28 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.83 3i1i h PRO 111 Cb 1.12 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.25 3i1i h PRO 111 CO 0.95 0.33 -0.12 0.87 0.14 0.00 0.00 178.00 180.18 3i1i h LYS 112 N 0.00 0.00 0.00 0.86 1.57 -1.95 -3.36 116.57 113.69 3i1i h LYS 112 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i1i h LYS 112 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 3i1i h LYS 112 CO 0.04 0.12 -0.72 0.25 -0.57 0.00 0.00 179.45 178.56 3i1i n THR 113 N -3.42 0.00 -0.63 -0.16 -2.24 -0.90 -5.02 114.28 101.91 3i1i n THR 113 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3i1i n THR 113 Cb 0.28 0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3i1i n THR 113 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1i n GLY 114 N 1.84 1.61 3.87 3.38 0.00 0.82 -5.02 105.19 111.68 3i1i n GLY 114 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 3i1i n GLY 114 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i1i s ASP 115 N -3.30 5.66 0.48 1.61 1.01 -1.25 -4.80 116.67 116.08 3i1i s ASP 115 Ca 0.00 -0.23 -0.24 0.00 0.71 0.00 0.00 52.55 52.79 3i1i s ASP 115 Cb 0.00 -1.40 -0.07 0.00 1.01 0.00 0.00 42.92 42.46 3i1i s ASP 115 CO 0.00 -0.13 1.36 -1.61 0.21 0.00 0.00 175.17 175.01 3i1i s GLU 116 N -3.92 3.51 0.22 8.23 2.02 -1.26 0.54 118.70 128.04 3i1i s GLU 116 Ca 0.35 2.26 -0.08 0.00 0.02 0.00 0.00 54.97 57.52 3i1i s GLU 116 Cb -0.08 -2.49 0.24 0.00 0.10 0.00 0.00 34.13 31.91 3i1i s GLU 116 CO 0.26 -0.91 1.86 1.88 0.02 0.00 0.00 175.26 178.38 3i1i h TYR 117 N 2.00 0.93 0.00 1.61 0.05 -1.31 -3.43 116.97 116.82 3i1i h TYR 117 Ca -0.51 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.30 3i1i h TYR 117 Cb 1.28 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 38.71 3i1i h TYR 117 CO 0.49 0.52 0.00 0.00 -1.05 0.00 0.00 178.16 178.12 3i1i n ALA 118 N -2.33 0.00 0.00 3.88 0.00 -0.45 -3.55 120.51 118.05 3i1i n ALA 118 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3i1i n ALA 118 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 3i1i n ALA 118 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i1i n ASP 120 N 0.00 0.00 -4.77 0.00 2.03 -1.26 -4.62 116.55 107.93 3i1i n ASP 120 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 3i1i n ASP 120 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 3i1i n ASP 120 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3i1i s PHE 121 N 0.00 2.70 0.51 -0.67 5.36 -1.23 -4.96 117.98 119.69 3i1i s PHE 121 Ca 0.00 1.34 -0.19 0.00 -0.96 0.00 0.00 56.93 57.12 3i1i s PHE 121 Cb 0.00 -3.78 -0.08 0.00 -0.34 0.00 0.00 43.02 38.82 3i1i s PHE 121 CO 0.00 -2.42 1.03 -1.25 -1.46 0.00 0.00 175.22 171.12 3i1i s PRO 122 N -2.25 3.73 0.22 10.12 0.04 -1.26 -4.98 135.00 140.62 3i1i s PRO 122 Ca 0.57 1.29 -0.31 0.00 0.04 0.00 0.00 61.00 62.59 3i1i s PRO 122 Cb -0.41 -2.09 -0.11 0.00 0.04 0.00 0.00 34.50 31.94 3i1i s PRO 122 CO 0.53 -0.48 1.58 0.08 0.04 0.00 0.00 177.00 178.76 3i1i s VAL 123 N -2.13 2.38 0.21 -0.36 1.01 -1.26 -5.02 120.40 115.22 3i1i s VAL 123 Ca 0.66 0.29 0.11 0.00 0.00 0.00 0.00 61.98 63.03 3i1i s VAL 123 Cb -0.15 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.00 3i1i s VAL 123 CO 0.24 0.03 -0.19 0.72 0.00 0.00 0.00 175.10 175.90 3i1i s PHE 124 N 0.70 2.41 0.44 5.22 -0.12 -1.26 -4.73 117.98 120.63 3i1i s PHE 124 Ca 0.68 -0.31 0.06 0.00 -0.05 0.00 0.00 56.93 57.30 3i1i s PHE 124 Cb -0.46 -1.16 -0.06 0.00 -0.63 0.00 0.00 43.02 40.72 3i1i s PHE 124 CO 0.37 0.54 0.02 0.95 -0.05 0.00 0.00 175.22 177.06 3i1i s THR 125 N -1.83 1.80 -0.79 -4.49 -4.23 -1.26 -4.14 115.64 100.70 3i1i s THR 125 Ca 0.24 -1.97 0.23 0.00 -1.18 0.00 0.00 61.69 59.00 3i1i s THR 125 Cb -0.08 -2.77 0.22 0.00 1.34 0.00 0.00 72.50 71.21 3i1i s THR 125 CO 0.12 0.00 1.71 0.49 -0.54 0.00 0.00 174.62 176.40 3i1i n PHE 126 N -1.07 0.44 -0.04 3.99 3.72 -1.26 -1.70 117.46 121.53 3i1i n PHE 126 Ca -0.08 0.15 -0.13 0.00 -0.05 0.00 0.00 57.45 57.34 3i1i n PHE 126 Cb 0.67 -0.75 0.00 0.00 -0.94 0.00 0.00 39.48 38.46 3i1i n PHE 126 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 3i1i h LEU 127 N 0.00 0.82 -0.94 4.37 5.85 -1.95 -2.52 115.31 120.93 3i1i h LEU 127 Ca 0.00 -0.44 0.07 0.00 0.84 0.00 0.00 57.88 58.35 3i1i h LEU 127 Cb 0.44 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 3i1i h LEU 127 CO 0.00 1.20 0.60 0.44 -0.34 0.00 0.00 178.44 180.34 3i1i h ASP 128 N 0.56 0.94 -0.50 1.25 3.32 -1.73 0.67 116.42 120.94 3i1i h ASP 128 Ca 0.01 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.02 3i1i h ASP 128 Cb 1.13 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.49 3i1i h ASP 128 CO 0.11 0.59 0.07 0.58 -1.72 0.00 0.00 179.24 178.87 3i1i h VAL 129 N 1.07 1.25 -0.82 -1.35 2.07 -1.46 -2.72 116.25 114.30 3i1i h VAL 129 Ca 0.42 -0.96 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 3i1i h VAL 129 Cb 0.21 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3i1i h VAL 129 CO -0.19 0.34 0.39 0.00 0.02 0.00 0.00 177.57 178.13 3i1i h ALA 130 N 0.96 1.05 0.00 1.67 0.00 -0.95 -0.65 119.26 121.36 3i1i h ALA 130 Ca 0.15 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i1i h ALA 130 Cb 0.42 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i1i h ALA 130 CO 0.01 0.63 0.00 0.54 0.00 0.00 0.00 179.25 180.43 3i1i n ARG 131 N -4.33 0.27 0.00 0.00 1.74 0.17 -1.38 116.66 113.14 3i1i n ARG 131 Ca 0.08 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 3i1i n ARG 131 Cb 0.14 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.33 3i1i n ARG 131 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i1i n GLN 133 N 0.61 0.00 -0.21 5.56 6.02 -0.25 -2.37 117.38 126.74 3i1i n GLN 133 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 3i1i n GLN 133 Cb 0.10 0.00 0.18 0.00 1.02 0.00 0.00 30.24 31.55 3i1i n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i1i h GLU 135 N 1.00 0.80 -0.08 0.00 4.39 -1.74 0.08 114.58 119.02 3i1i h GLU 135 Ca 0.25 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.86 3i1i h GLU 135 Cb 0.09 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.57 3i1i h GLU 135 CO -0.03 0.59 0.04 1.25 -1.16 0.00 0.00 179.01 179.69 3i1i h LEU 136 N 0.79 0.11 -0.39 1.33 5.85 -1.69 -0.14 115.31 121.16 3i1i h LEU 136 Ca 0.21 -0.13 0.04 0.00 0.84 0.00 0.00 57.88 58.84 3i1i h LEU 136 Cb 0.00 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3i1i h LEU 136 CO -0.04 0.21 0.16 0.40 -0.34 0.00 0.00 178.44 178.83 3i1i h ILE 137 N -0.00 0.91 -0.37 4.05 1.08 -0.56 -2.58 117.51 120.03 3i1i h ILE 137 Ca 0.03 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.37 3i1i h ILE 137 Cb 0.13 0.55 -0.02 0.00 -3.07 0.00 0.00 36.82 34.42 3i1i h ILE 137 CO -0.00 0.06 0.17 0.11 -0.69 0.00 0.00 178.15 177.80 3i1i h LYS 138 N 0.33 0.54 -2.25 2.37 1.57 -0.92 -2.30 116.57 115.90 3i1i h LYS 138 Ca 0.18 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3i1i h LYS 138 Cb 0.14 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 3i1i h LYS 138 CO -0.16 0.49 0.09 -0.25 -0.57 0.00 0.00 179.45 179.04 3i1i n ASP 139 N -4.71 1.46 -1.09 0.86 8.00 -0.07 -3.85 116.55 117.15 3i1i n ASP 139 Ca -0.01 -1.52 -0.01 0.00 0.71 0.00 0.00 54.79 53.97 3i1i n ASP 139 Cb 0.12 -0.34 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 3i1i n ASP 139 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i1i n GLY 141 N 2.21 0.75 3.51 0.44 0.00 -1.10 -5.08 105.19 105.92 3i1i n GLY 141 Ca 0.04 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 3i1i n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i1i s ILE 142 N 0.00 4.02 -0.14 -0.61 1.01 -0.89 -5.00 121.20 119.60 3i1i s ILE 142 Ca 0.14 -0.31 0.18 0.00 0.00 0.00 0.00 60.65 60.66 3i1i s ILE 142 Cb 0.16 -2.78 -0.25 0.00 0.01 0.00 0.00 42.46 39.59 3i1i s ILE 142 CO -0.07 0.48 0.31 0.00 0.00 0.00 0.00 174.94 175.66 3i1i n ALA 143 N 3.67 1.84 -3.06 9.38 0.00 -1.26 -4.13 120.51 126.95 3i1i n ALA 143 Ca -0.17 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 52.15 3i1i n ALA 143 Cb 0.52 -0.46 -0.11 0.00 0.00 0.00 0.00 19.45 19.40 3i1i n ALA 143 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3i1i s ARG 144 N -2.78 0.32 -0.16 0.00 0.52 -1.26 -4.92 118.95 110.66 3i1i s ARG 144 Ca -0.08 -0.13 -0.07 0.00 -0.52 0.00 0.00 55.73 54.92 3i1i s ARG 144 Cb 0.08 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 3i1i s ARG 144 CO 0.84 -0.07 0.09 -0.51 0.02 0.00 0.00 175.30 175.68 3i1i s LEU 145 N -0.70 4.01 0.29 2.53 1.43 -1.26 -4.69 118.68 120.28 3i1i s LEU 145 Ca -0.08 0.21 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3i1i s LEU 145 Cb -0.05 -2.00 0.43 0.00 0.03 0.00 0.00 46.19 44.60 3i1i s LEU 145 CO 0.01 0.25 1.79 -0.74 0.23 0.00 0.00 176.35 177.88 3i1i h HIS 146 N 6.16 0.70 -2.07 0.29 -0.00 -0.48 -2.19 115.15 117.56 3i1i h HIS 146 Ca -0.43 -0.10 -0.04 0.00 -0.00 0.00 0.00 60.37 59.80 3i1i h HIS 146 Cb 1.18 -0.19 -0.19 0.00 -0.00 0.00 0.00 27.41 28.21 3i1i h HIS 146 CO 0.61 0.69 0.22 0.00 -0.00 0.00 0.00 177.93 179.45 3i1i s ALA 147 N -4.90 -1.77 0.10 5.26 0.00 -1.14 -3.21 121.76 116.10 3i1i s ALA 147 Ca -0.08 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.21 3i1i s ALA 147 Cb 0.15 0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.27 3i1i s ALA 147 CO 0.79 -0.41 -0.21 0.54 0.00 0.00 0.00 175.76 176.48 3i1i s VAL 148 N -1.46 1.70 0.00 0.00 0.11 -0.46 -1.22 120.40 119.07 3i1i s VAL 148 Ca -0.09 -1.55 0.00 0.00 -2.93 0.00 0.00 61.98 57.41 3i1i s VAL 148 Cb -0.00 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.30 3i1i s VAL 148 CO 0.07 -0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.38 3i1i n GLY 150 N 1.07 3.68 3.86 6.54 0.00 -1.14 -1.52 105.19 117.68 3i1i n GLY 150 Ca -0.19 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.31 3i1i n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1i s PRO 151 N -2.42 3.66 7.98 1.61 0.04 -1.26 -1.29 135.00 143.33 3i1i s PRO 151 Ca 0.00 0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 3i1i s PRO 151 Cb 0.00 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.33 3i1i s PRO 151 CO 0.00 0.73 0.00 0.45 0.04 0.00 0.00 177.00 178.22 3i1i n SER 152 N 1.96 0.00 -0.13 6.66 2.88 0.11 -0.68 113.62 124.42 3i1i n SER 152 Ca -0.17 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.55 3i1i n SER 152 Cb 0.54 0.00 0.58 0.00 -0.75 0.00 0.00 64.21 64.57 3i1i n SER 152 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i1i h ALA 153 N -0.97 2.30 -0.85 -1.46 0.00 -1.87 0.18 119.26 116.59 3i1i h ALA 153 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i1i h ALA 153 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 3i1i h ALA 153 CO 0.00 -0.50 0.46 0.78 0.00 0.00 0.00 179.25 179.98 3i1i h GLY 154 N 0.26 1.27 -3.08 0.00 0.00 -0.55 -2.38 103.07 98.60 3i1i h GLY 154 Ca 0.35 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.10 3i1i h GLY 154 CO -0.08 0.56 0.00 0.61 0.00 0.00 0.00 176.54 177.63 3i1i n GLY 155 N -1.13 1.17 0.56 4.60 0.00 0.63 -1.76 105.19 109.26 3i1i n GLY 155 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3i1i n GLY 155 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3i1i n ILE 157 N 1.48 0.00 -0.02 -0.61 5.41 -0.90 -1.23 119.36 123.50 3i1i n ILE 157 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 3i1i n ILE 157 Cb 0.21 0.00 0.32 0.00 -0.71 0.00 0.00 39.64 39.45 3i1i n ILE 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1i h ALA 158 N 0.00 1.44 -0.15 -1.39 0.00 -1.62 -1.24 119.26 116.30 3i1i h ALA 158 Ca 0.00 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 3i1i h ALA 158 Cb 0.00 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i1i h ALA 158 CO 0.00 0.41 -0.60 1.96 0.00 0.00 0.00 179.25 181.02 3i1i h GLN 159 N 0.55 0.52 -0.57 0.00 4.20 -1.45 -2.14 115.11 116.22 3i1i h GLN 159 Ca 0.13 -0.35 -0.06 0.00 0.06 0.00 0.00 58.65 58.42 3i1i h GLN 159 Cb 0.22 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 3i1i h GLN 159 CO -0.00 0.97 0.10 1.96 -0.67 0.00 0.00 178.83 181.19 3i1i h GLN 160 N 0.38 0.91 -0.13 1.46 1.08 -1.59 -1.34 115.11 115.88 3i1i h GLN 160 Ca -0.00 -0.21 0.03 0.00 -1.45 0.00 0.00 58.65 57.02 3i1i h GLN 160 Cb 1.16 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 28.43 3i1i h GLN 160 CO 0.11 0.84 -0.07 -1.49 -0.95 0.00 0.00 178.83 177.26 3i1i h TRP 161 N 0.86 -0.17 -0.92 2.96 4.06 -1.08 0.83 115.95 122.48 3i1i h TRP 161 Ca 0.18 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.13 3i1i h TRP 161 Cb 0.36 0.10 -0.04 0.00 -1.00 0.00 0.00 29.16 28.58 3i1i h TRP 161 CO 0.02 -0.11 0.53 0.00 -3.56 0.00 0.00 178.44 175.32 3i1i h ALA 162 N 1.06 1.20 0.01 1.49 0.00 -0.97 0.12 119.26 122.17 3i1i h ALA 162 Ca 0.08 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i1i h ALA 162 Cb 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.60 3i1i h ALA 162 CO -0.17 0.66 -0.00 0.28 0.00 0.00 0.00 179.25 180.02 3i1i h VAL 163 N 1.28 1.45 0.00 0.00 2.07 -1.11 -3.36 116.25 116.58 3i1i h VAL 163 Ca 0.33 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.48 3i1i h VAL 163 Cb -0.02 2.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3i1i h VAL 163 CO -0.06 0.35 -0.93 1.41 0.02 0.00 0.00 177.57 178.37 3i1i n HIS 164 N -4.81 0.09 -3.04 1.57 8.25 0.27 -4.27 115.22 113.27 3i1i n HIS 164 Ca -0.09 0.03 -0.23 0.00 -0.26 0.00 0.00 57.72 57.17 3i1i n HIS 164 Cb 0.29 -0.23 -0.03 0.00 1.12 0.00 0.00 29.99 31.14 3i1i n HIS 164 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3i1i n TYR 165 N -1.69 2.24 0.27 4.41 4.01 0.41 -4.94 117.16 121.87 3i1i n TYR 165 Ca 0.03 -3.88 0.15 0.00 -0.16 0.00 0.00 57.90 54.04 3i1i n TYR 165 Cb 0.38 -0.45 0.74 0.00 -0.31 0.00 0.00 39.34 39.69 3i1i n TYR 165 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3i1i h PRO 166 N 2.98 0.00 -1.90 -0.72 0.13 -1.72 -3.11 132.00 127.66 3i1i h PRO 166 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i1i h PRO 166 Cb 0.73 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3i1i h PRO 166 CO 0.67 0.08 0.00 0.72 -0.23 0.00 0.00 178.00 179.24 3i1i n HIS 167 N -3.33 0.00 0.00 1.56 8.25 -1.26 -4.64 115.22 115.80 3i1i n HIS 167 Ca -0.01 -0.92 0.00 0.00 -0.26 0.00 0.00 57.72 56.53 3i1i n HIS 167 Cb 0.27 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 30.92 3i1i n HIS 167 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3i1i n VAL 169 N 1.41 0.00 0.10 1.59 0.31 -1.18 -4.92 118.33 115.64 3i1i n VAL 169 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 3i1i n VAL 169 Cb 0.49 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.30 3i1i n VAL 169 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i1i h GLU 170 N 0.69 0.36 0.00 5.55 5.08 -1.58 -3.32 114.58 121.36 3i1i h GLU 170 Ca 0.00 -0.54 -0.05 0.00 -1.00 0.00 0.00 59.36 57.77 3i1i h GLU 170 Cb 0.00 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3i1i h GLU 170 CO 0.00 1.23 -0.03 0.54 -1.00 0.00 0.00 179.01 179.75 3i1i n ARG 171 N -3.62 0.11 -3.26 2.33 1.74 -1.20 -1.23 116.66 111.54 3i1i n ARG 171 Ca -0.09 -0.48 0.03 0.00 -0.77 0.00 0.00 57.85 56.54 3i1i n ARG 171 Cb 0.99 0.45 -0.04 0.00 -1.02 0.00 0.00 32.46 32.84 3i1i n ARG 171 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3i1i s ILE 173 N -2.47 -0.25 -0.31 0.55 1.01 -0.58 -1.35 121.20 117.81 3i1i s ILE 173 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 60.68 3i1i s ILE 173 Cb -0.00 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.52 3i1i s ILE 173 CO 0.04 0.00 0.01 -0.83 0.00 0.00 0.00 174.94 174.16 3i1i s GLY 174 N 2.32 1.77 -0.14 6.18 0.00 -0.15 -2.87 107.32 114.43 3i1i s GLY 174 Ca -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 44.72 42.80 3i1i s GLY 174 CO -0.16 0.72 0.18 0.14 0.00 0.00 0.00 173.10 173.98 3i1i s VAL 175 N 1.25 5.41 -1.22 1.40 1.01 -0.41 -0.89 120.40 126.95 3i1i s VAL 175 Ca -0.04 0.30 -0.20 0.00 0.00 0.00 0.00 61.98 62.04 3i1i s VAL 175 Cb -0.20 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.73 3i1i s VAL 175 CO -0.01 0.52 0.38 2.30 0.00 0.00 0.00 175.10 178.29 3i1i n ILE 176 N 2.72 -1.79 -4.16 2.22 -5.35 0.54 0.04 119.36 113.58 3i1i n ILE 176 Ca -0.17 -0.50 -0.14 0.00 -0.27 0.00 0.00 62.75 61.67 3i1i n ILE 176 Cb 0.53 -1.57 -0.05 0.00 -1.74 0.00 0.00 39.64 36.81 3i1i n ILE 176 CO 0.00 0.00 0.00 1.07 -1.76 0.00 0.00 176.55 175.86 3i1i n THR 177 N -4.53 0.00 -3.55 7.28 5.66 -1.26 -2.87 114.28 115.00 3i1i n THR 177 Ca -0.18 -1.73 -0.13 0.00 -3.05 0.00 0.00 64.05 58.97 3i1i n THR 177 Cb 0.56 0.89 -0.04 0.00 -1.55 0.00 0.00 70.33 70.18 3i1i n THR 177 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 3i1i s ASN 178 N -2.71 -0.44 0.54 1.09 0.01 -1.26 -4.79 114.94 107.38 3i1i s ASN 178 Ca 0.28 0.07 0.33 0.00 -0.71 0.00 0.00 52.86 52.83 3i1i s ASN 178 Cb 0.01 0.51 1.29 0.00 0.41 0.00 0.00 41.25 43.47 3i1i s ASN 178 CO 0.20 -0.79 1.96 1.55 -1.51 0.00 0.00 177.10 178.51 3i1i h PRO 179 N 2.55 0.00 -3.25 -0.60 0.13 -1.96 -3.42 132.00 125.45 3i1i h PRO 179 Ca -0.32 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.56 3i1i h PRO 179 Cb 1.24 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.05 3i1i h PRO 179 CO 0.41 0.00 -0.60 -0.65 -0.23 0.00 0.00 178.00 176.94 3i1i s GLN 180 N -3.64 0.09 0.07 0.86 -0.21 -1.26 -1.42 119.66 114.15 3i1i s GLN 180 Ca 0.02 0.38 -0.31 0.00 0.02 0.00 0.00 55.36 55.47 3i1i s GLN 180 Cb 0.09 -0.19 -0.08 0.00 1.00 0.00 0.00 33.01 33.83 3i1i s GLN 180 CO 0.55 -0.17 1.64 1.21 -2.12 0.00 0.00 175.29 176.40 3i1i s ASN 181 N 1.23 6.61 0.53 5.90 2.47 0.16 -4.89 114.94 126.94 3i1i s ASN 181 Ca -0.09 2.47 -0.21 0.00 0.42 0.00 0.00 52.86 55.45 3i1i s ASN 181 Cb -0.12 -2.56 -0.07 0.00 -1.45 0.00 0.00 41.25 37.05 3i1i s ASN 181 CO -0.06 -0.88 1.08 -2.65 -3.72 0.00 0.00 177.10 170.87 3i1i n PRO 182 N 5.60 1.27 -0.22 0.43 -0.02 -1.26 -4.75 135.00 136.05 3i1i n PRO 182 Ca 0.16 0.47 -0.04 0.00 -2.02 0.00 0.00 63.50 62.07 3i1i n PRO 182 Cb 0.41 -2.23 0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3i1i n PRO 182 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3i1i h ILE 183 N 1.09 1.06 -0.49 4.25 1.08 -1.97 0.35 117.51 122.88 3i1i h ILE 183 Ca -0.48 -0.26 0.04 0.00 -0.39 0.00 0.00 64.86 63.77 3i1i h ILE 183 Cb 1.34 0.24 -0.04 0.00 -3.07 0.00 0.00 36.82 35.29 3i1i h ILE 183 CO 0.54 0.14 0.25 -0.29 -0.69 0.00 0.00 178.15 178.10 3i1i h ILE 184 N 0.75 0.97 -0.21 -0.67 2.10 -1.97 -1.32 117.51 117.16 3i1i h ILE 184 Ca 0.26 -0.17 -0.16 0.00 1.08 0.00 0.00 64.86 65.88 3i1i h ILE 184 Cb 0.05 0.43 -0.01 0.00 -1.09 0.00 0.00 36.82 36.21 3i1i h ILE 184 CO -0.12 0.09 -0.51 0.74 -1.08 0.00 0.00 178.15 177.28 3i1i h THR 185 N 0.49 1.31 -0.54 2.19 2.02 -1.77 0.84 112.91 117.45 3i1i h THR 185 Ca 0.21 -1.73 -0.03 0.00 0.77 0.00 0.00 66.41 65.63 3i1i h THR 185 Cb 0.11 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 3i1i h THR 185 CO -0.15 0.54 0.19 0.28 0.37 0.00 0.00 175.52 176.76 3i1i h SER 186 N 0.47 0.72 0.01 4.18 0.02 -0.20 -1.58 113.55 117.15 3i1i h SER 186 Ca 0.02 -0.10 -0.20 0.00 -0.84 0.00 0.00 61.79 60.67 3i1i h SER 186 Cb 1.05 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 3i1i h SER 186 CO 0.10 0.66 -1.08 0.58 -1.14 0.00 0.00 176.83 175.96 3i1i h VAL 187 N 0.77 1.06 -0.07 2.27 2.07 -1.26 0.12 116.25 121.21 3i1i h VAL 187 Ca 0.18 -2.22 -0.14 0.00 0.82 0.00 0.00 66.70 65.35 3i1i h VAL 187 Cb 0.19 2.44 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3i1i h VAL 187 CO -0.01 0.39 -0.57 -1.13 0.02 0.00 0.00 177.57 176.26 3i1i h ASN 188 N -0.95 0.25 0.00 0.57 -1.24 -0.84 -1.40 115.58 111.97 3i1i h ASN 188 Ca -0.29 -0.14 -0.17 0.00 0.71 0.00 0.00 56.30 56.41 3i1i h ASN 188 Cb 1.29 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 40.23 3i1i h ASN 188 CO -0.16 0.77 -1.63 0.52 -1.29 0.00 0.00 177.43 175.64 3i1i n VAL 189 N -3.89 0.63 -0.08 2.57 0.31 -0.65 -4.47 118.33 112.75 3i1i n VAL 189 Ca -0.02 -0.32 -0.09 0.00 -0.01 0.00 0.00 64.34 63.90 3i1i n VAL 189 Cb 0.59 -0.83 -0.05 0.00 -0.91 0.00 0.00 33.84 32.64 3i1i n VAL 189 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1i h ALA 190 N 0.22 0.07 0.31 3.52 0.00 -1.27 -3.25 119.26 118.88 3i1i h ALA 190 Ca -0.25 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.03 3i1i h ALA 190 Cb 1.48 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 3i1i h ALA 190 CO -0.01 0.45 -0.20 0.37 0.00 0.00 0.00 179.25 179.85 3i1i h GLN 191 N -1.00 -0.48 -0.77 0.00 4.15 -0.74 -1.35 115.11 114.92 3i1i h GLN 191 Ca -0.10 0.03 0.11 0.00 0.77 0.00 0.00 58.65 59.46 3i1i h GLN 191 Cb 0.68 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.43 3i1i h GLN 191 CO -0.06 -0.32 0.51 -0.91 -1.93 0.00 0.00 178.83 176.12 3i1i h ASN 192 N -0.50 0.59 -0.05 -0.69 2.35 -1.47 0.47 115.58 116.28 3i1i h ASN 192 Ca -0.03 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 3i1i h ASN 192 Cb 0.41 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.68 3i1i h ASN 192 CO 0.03 0.34 -0.04 0.00 -1.65 0.00 0.00 177.43 176.11 3i1i h ALA 193 N 1.62 0.07 -0.26 -0.83 0.00 -1.52 0.35 119.26 118.69 3i1i h ALA 193 Ca 0.36 -0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3i1i h ALA 193 Cb 0.53 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3i1i h ALA 193 CO -0.14 -0.15 -0.08 0.82 0.00 0.00 0.00 179.25 179.70 3i1i h ILE 194 N -0.31 0.71 -0.36 0.00 2.04 -0.82 -2.03 117.51 116.74 3i1i h ILE 194 Ca 0.01 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 3i1i h ILE 194 Cb 0.52 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3i1i h ILE 194 CO 0.01 0.00 -0.01 -0.33 0.00 0.00 0.00 178.15 177.82 3i1i h GLU 195 N -0.02 0.56 -0.61 2.37 5.08 -0.87 -2.13 114.58 118.97 3i1i h GLU 195 Ca 0.13 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3i1i h GLU 195 Cb 0.21 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 3i1i h GLU 195 CO -0.28 0.60 0.35 0.00 -1.00 0.00 0.00 179.01 178.67 3i1i h ALA 196 N 1.46 0.78 -0.38 3.43 0.00 -0.45 -1.14 119.26 122.96 3i1i h ALA 196 Ca 0.11 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3i1i h ALA 196 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i1i h ALA 196 CO 0.01 0.28 0.14 0.82 0.00 0.00 0.00 179.25 180.50 3i1i h ILE 197 N 0.82 1.20 -0.02 0.00 2.04 -1.10 -2.85 117.51 117.61 3i1i h ILE 197 Ca 0.22 -0.64 -0.03 0.00 1.00 0.00 0.00 64.86 65.41 3i1i h ILE 197 Cb 0.02 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.00 3i1i h ILE 197 CO -0.04 0.23 -0.12 0.03 0.00 0.00 0.00 178.15 178.25 3i1i h ARG 198 N 0.47 0.03 -0.06 2.37 3.08 -1.16 -2.85 114.38 116.26 3i1i h ARG 198 Ca 0.12 -0.00 -0.17 0.00 0.07 0.00 0.00 59.98 60.00 3i1i h ARG 198 Cb 0.22 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.26 3i1i h ARG 198 CO -0.01 0.15 -0.70 1.25 -1.07 0.00 0.00 179.97 179.59 3i1i h LEU 199 N 0.03 0.35 -9.27 3.04 5.85 -0.98 -3.42 115.31 110.90 3i1i h LEU 199 Ca 0.00 -0.23 -0.55 0.00 0.84 0.00 0.00 57.88 57.94 3i1i h LEU 199 Cb 0.24 -0.10 0.02 0.00 0.37 0.00 0.00 40.66 41.18 3i1i h LEU 199 CO 0.02 0.95 1.27 -0.67 -0.34 0.00 0.00 178.44 179.66 3i1i n ASP 200 N -3.82 3.92 0.30 1.25 -0.08 -1.07 -4.87 116.55 112.18 3i1i n ASP 200 Ca -0.03 0.78 0.15 0.00 -1.51 0.00 0.00 54.79 54.18 3i1i n ASP 200 Cb 0.69 -1.51 0.92 0.00 2.34 0.00 0.00 41.12 43.55 3i1i n ASP 200 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3i1i h PRO 201 N 11.28 0.00 0.00 -0.67 0.13 -1.87 -0.93 132.00 139.94 3i1i h PRO 201 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3i1i h PRO 201 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3i1i h PRO 201 CO 0.95 0.01 0.00 0.77 -0.23 0.00 0.00 178.00 179.50 3i1i h SER 202 N 0.00 0.00 0.16 1.44 0.02 -1.93 -2.80 113.55 110.45 3i1i h SER 202 Ca -0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3i1i h SER 202 Cb 0.03 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 3i1i h SER 202 CO 0.00 0.00 -0.17 -0.25 -1.14 0.00 0.00 176.83 175.27 3i1i h TRP 203 N 0.00 0.02 -6.69 3.45 7.01 -1.42 -3.41 115.95 114.91 3i1i h TRP 203 Ca 0.00 -0.00 -0.54 0.00 2.11 0.00 0.00 58.89 60.46 3i1i h TRP 203 Cb 0.06 -0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 27.01 3i1i h TRP 203 CO 0.00 0.19 -0.92 1.63 -2.79 0.00 0.00 178.44 176.55 3i1i n LYS 204 N -4.33 -2.48 -1.24 2.65 5.02 -1.06 -0.56 118.16 116.16 3i1i n LYS 204 Ca -0.02 0.30 -0.08 0.00 -2.02 0.00 0.00 58.31 56.48 3i1i n LYS 204 Cb 0.24 -4.20 -0.04 0.00 -0.02 0.00 0.00 35.03 31.02 3i1i n LYS 204 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i1i n GLY 205 N -2.19 0.92 0.62 0.72 0.00 -1.26 -1.08 105.19 102.92 3i1i n GLY 205 Ca -0.32 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3i1i n GLY 205 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1i n GLY 206 N -0.86 0.62 2.64 -0.02 0.00 0.27 -4.97 105.19 102.88 3i1i n GLY 206 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 3i1i n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i1i n LYS 207 N -2.00 2.77 0.00 1.61 5.02 -0.24 -4.64 118.16 120.68 3i1i n LYS 207 Ca 0.00 -3.48 0.14 0.00 -2.02 0.00 0.00 58.31 52.96 3i1i n LYS 207 Cb 0.00 -2.28 0.65 0.00 -0.02 0.00 0.00 35.03 33.38 3i1i n LYS 207 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 3i1i n TYR 208 N -0.70 0.00 0.00 2.13 0.18 -1.25 -4.93 117.16 112.60 3i1i n TYR 208 Ca 0.57 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.35 3i1i n TYR 208 Cb 0.44 -0.33 0.00 0.00 -0.38 0.00 0.00 39.34 39.07 3i1i n TYR 208 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3i1i n GLY 209 N 1.37 2.36 0.01 -7.48 0.00 -1.26 -1.91 105.19 98.27 3i1i n GLY 209 Ca 0.11 0.33 0.11 0.00 0.00 0.00 0.00 46.02 46.57 3i1i n GLY 209 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i1i n GLU 210 N 4.84 0.08 -3.23 1.61 -0.58 -1.26 -4.72 120.64 117.38 3i1i n GLU 210 Ca 0.00 -0.01 -0.46 0.00 -0.42 0.00 0.00 57.16 56.27 3i1i n GLU 210 Cb 0.00 -1.52 -0.02 0.00 -0.57 0.00 0.00 31.44 29.33 3i1i n GLU 210 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3i1i s GLU 211 N -3.06 3.54 0.46 3.49 2.02 -0.81 -5.04 118.70 119.30 3i1i s GLU 211 Ca 0.07 -2.21 -0.24 0.00 0.02 0.00 0.00 54.97 52.61 3i1i s GLU 211 Cb 0.16 -4.51 -0.07 0.00 0.10 0.00 0.00 34.13 29.80 3i1i s GLU 211 CO 0.81 -1.41 1.36 -0.65 0.02 0.00 0.00 175.26 175.40 3i1i s GLN 212 N 0.91 3.64 0.53 1.61 -1.52 -1.26 -4.81 119.66 118.76 3i1i s GLN 212 Ca 0.20 2.26 -0.18 0.00 -1.95 0.00 0.00 55.36 55.69 3i1i s GLN 212 Cb -0.11 -2.57 -0.06 0.00 -0.22 0.00 0.00 33.01 30.05 3i1i s GLN 212 CO -0.07 -0.80 1.04 -1.25 -0.25 0.00 0.00 175.29 173.95 3i1i s PRO 213 N -2.52 3.62 0.00 2.91 0.04 -1.26 -5.00 135.00 132.78 3i1i s PRO 213 Ca 0.63 1.24 0.00 0.00 0.04 0.00 0.00 61.00 62.90 3i1i s PRO 213 Cb -0.40 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.06 3i1i s PRO 213 CO 0.51 -0.57 0.00 1.63 0.04 0.00 0.00 177.00 178.61 3i1i n LYS 215 N -1.49 0.00 -0.34 4.56 5.02 -1.26 -1.44 118.16 123.22 3i1i n LYS 215 Ca 0.09 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.37 3i1i n LYS 215 Cb 0.53 0.00 0.12 0.00 -0.02 0.00 0.00 35.03 35.66 3i1i n LYS 215 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3i1i h GLY 216 N 0.00 1.34 1.05 0.72 0.00 -1.89 -2.13 103.07 102.15 3i1i h GLY 216 Ca 0.00 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.72 3i1i h GLY 216 CO 0.00 0.38 -0.47 -2.00 0.00 0.00 0.00 176.54 174.45 3i1i h LEU 217 N 1.15 0.85 -0.89 3.11 5.85 -1.55 -1.03 115.31 122.79 3i1i h LEU 217 Ca 0.37 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3i1i h LEU 217 Cb 0.01 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.76 3i1i h LEU 217 CO -0.12 1.23 0.50 -0.61 -0.34 0.00 0.00 178.44 179.09 3i1i h GLN 218 N 0.51 1.23 -0.28 1.25 4.15 -1.78 0.84 115.11 121.02 3i1i h GLN 218 Ca 0.01 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 3i1i h GLN 218 Cb 1.07 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.50 3i1i h GLN 218 CO 0.11 0.89 0.13 1.25 -1.93 0.00 0.00 178.83 179.28 3i1i h LEU 219 N 1.24 0.38 -0.68 -2.39 5.85 -1.20 0.20 115.31 118.70 3i1i h LEU 219 Ca 0.31 -0.14 0.09 0.00 0.84 0.00 0.00 57.88 58.99 3i1i h LEU 219 Cb 0.01 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.87 3i1i h LEU 219 CO -0.05 0.41 0.33 0.00 -0.34 0.00 0.00 178.44 178.78 3i1i h ALA 220 N 0.98 0.92 -0.30 1.25 0.00 -0.71 -2.69 119.26 118.71 3i1i h ALA 220 Ca 0.10 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3i1i h ALA 220 Cb 0.13 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i1i h ALA 220 CO -0.01 -0.06 -0.50 -0.97 0.00 0.00 0.00 179.25 177.71 3i1i h ASN 221 N 0.57 0.92 -0.24 0.00 -1.24 -0.50 -3.45 115.58 111.64 3i1i h ASN 221 Ca 0.33 -0.47 -0.17 0.00 0.71 0.00 0.00 56.30 56.70 3i1i h ASN 221 Cb 0.34 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.11 3i1i h ASN 221 CO -0.26 1.25 0.53 -1.14 -1.29 0.00 0.00 177.43 176.53 3i1i n ARG 222 N -4.01 0.77 -2.36 6.67 0.63 0.66 -5.04 116.66 113.98 3i1i n ARG 222 Ca -0.03 -2.03 -0.05 0.00 -0.92 0.00 0.00 57.85 54.82 3i1i n ARG 222 Cb 0.60 -3.82 0.01 0.00 0.45 0.00 0.00 32.46 29.70 3i1i n ARG 222 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3i1i n PHE 225 N 17.23 -0.37 0.00 -0.14 7.35 -1.26 -5.03 117.46 135.23 3i1i n PHE 225 Ca 0.43 0.09 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 3i1i n PHE 225 Cb 0.47 -1.71 0.00 0.00 0.35 0.00 0.00 39.48 38.58 3i1i n PHE 225 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 3i1i n ASN 227 N 0.91 0.00 0.15 -2.13 3.02 -1.26 -4.32 115.26 111.64 3i1i n ASN 227 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.65 3i1i n ASN 227 Cb 0.53 0.00 0.38 0.00 -0.61 0.00 0.00 39.78 40.08 3i1i n ASN 227 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1i h ALA 228 N 0.00 1.00 -1.48 5.41 0.00 -1.96 -3.35 119.26 118.88 3i1i h ALA 228 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3i1i h ALA 228 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 17.66 3i1i h ALA 228 CO 0.00 0.00 -0.53 -0.06 0.00 0.00 0.00 179.25 178.66 3i1i s PHE 229 N -3.21 1.84 0.62 0.00 0.08 -1.26 -2.07 117.98 113.98 3i1i s PHE 229 Ca 0.08 -1.17 -0.16 0.00 0.12 0.00 0.00 56.93 55.80 3i1i s PHE 229 Cb 0.10 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.26 3i1i s PHE 229 CO 0.58 -0.15 1.11 0.34 -0.10 0.00 0.00 175.22 177.00 3i1i s ASP 230 N -3.64 5.33 0.33 1.36 2.15 -0.91 -4.68 116.67 116.60 3i1i s ASP 230 Ca 0.23 2.02 0.03 0.00 0.43 0.00 0.00 52.55 55.27 3i1i s ASP 230 Cb 0.03 -2.56 0.64 0.00 -0.30 0.00 0.00 42.92 40.74 3i1i s ASP 230 CO 0.13 -1.48 1.93 1.05 -0.17 0.00 0.00 175.17 176.63 3i1i h GLU 231 N 0.36 0.86 0.00 4.34 -0.00 -1.89 -1.77 114.58 116.48 3i1i h GLU 231 Ca -0.48 -0.05 -0.05 0.00 -0.00 0.00 0.00 59.36 58.79 3i1i h GLU 231 Cb 1.25 -0.19 -0.01 0.00 -0.00 0.00 0.00 28.75 29.80 3i1i h GLU 231 CO 0.55 0.57 -0.21 1.25 -0.00 0.00 0.00 179.01 181.17 3i1i h HIS 232 N 0.89 0.00 -0.56 2.06 2.76 -1.92 -2.12 115.15 116.26 3i1i h HIS 232 Ca 0.36 0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.59 3i1i h HIS 232 Cb 0.25 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.16 3i1i h HIS 232 CO -0.00 0.21 0.27 0.35 -1.30 0.00 0.00 177.93 177.46 3i1i h PHE 233 N 0.00 0.48 -0.08 5.26 3.57 -1.53 -2.01 116.94 122.63 3i1i h PHE 233 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.38 3i1i h PHE 233 Cb 0.57 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 3i1i h PHE 233 CO 0.00 0.20 -0.59 1.88 -2.23 0.00 0.00 178.31 177.58 3i1i h TYR 234 N 0.50 0.34 -0.57 0.41 0.05 -1.46 -0.58 116.97 115.66 3i1i h TYR 234 Ca 0.26 -0.13 -0.06 0.00 0.05 0.00 0.00 58.73 58.85 3i1i h TYR 234 Cb 0.22 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3i1i h TYR 234 CO -0.12 0.79 0.12 1.49 -1.05 0.00 0.00 178.16 179.39 3i1i h GLU 235 N 0.20 0.93 0.00 4.88 4.57 -1.30 -1.74 114.58 122.12 3i1i h GLU 235 Ca -0.00 -0.24 -0.17 0.00 -1.18 0.00 0.00 59.36 57.77 3i1i h GLU 235 Cb 1.09 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 29.53 3i1i h GLU 235 CO 0.09 0.88 -1.32 1.79 -1.18 0.00 0.00 179.01 179.27 3i1i h THR 236 N 0.83 0.60 0.06 0.32 1.35 -1.36 -3.28 112.91 111.43 3i1i h THR 236 Ca 0.18 -2.11 -0.29 0.00 -0.55 0.00 0.00 66.41 63.64 3i1i h THR 236 Cb 0.38 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.90 3i1i h THR 236 CO 0.01 0.34 -1.50 0.74 -0.25 0.00 0.00 175.52 174.85 3i1i h THR 237 N 0.00 1.15 -2.15 6.82 2.02 -1.10 -3.38 112.91 116.27 3i1i h THR 237 Ca -0.15 -2.86 -0.59 0.00 0.77 0.00 0.00 66.41 63.58 3i1i h THR 237 Cb 1.60 2.67 -0.41 0.00 -1.74 0.00 0.00 68.15 70.27 3i1i h THR 237 CO 0.05 0.77 -0.72 -1.22 0.37 0.00 0.00 175.52 174.77 3i1i n TYR 238 N -3.33 2.76 -1.88 3.16 4.02 -0.66 -5.08 117.16 116.17 3i1i n TYR 238 Ca -0.14 -4.01 -0.33 0.00 -0.01 0.00 0.00 57.90 53.40 3i1i n TYR 238 Cb 1.03 -0.51 0.04 0.00 -0.02 0.00 0.00 39.34 39.87 3i1i n TYR 238 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3i1i s PRO 239 N -2.30 2.95 0.21 -0.72 0.04 -1.24 -4.74 135.00 129.21 3i1i s PRO 239 Ca 0.40 1.40 -0.30 0.00 0.04 0.00 0.00 61.00 62.54 3i1i s PRO 239 Cb 0.17 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.64 3i1i s PRO 239 CO -0.04 -1.13 1.45 0.50 0.04 0.00 0.00 177.00 177.81 3i1i s ARG 240 N -3.96 4.28 -0.42 4.56 3.52 -1.26 -4.62 118.95 121.05 3i1i s ARG 240 Ca 0.67 2.26 -0.19 0.00 -0.13 0.00 0.00 55.73 58.34 3i1i s ARG 240 Cb -0.20 -3.14 0.02 0.00 -1.56 0.00 0.00 34.95 30.06 3i1i s ARG 240 CO 0.38 -0.44 0.57 1.21 -0.81 0.00 0.00 175.30 176.22 3i1i s ASN 241 N 0.60 6.29 0.00 -2.12 3.84 -1.26 -4.95 114.94 117.35 3i1i s ASN 241 Ca 0.62 -0.37 0.11 0.00 0.21 0.00 0.00 52.86 53.43 3i1i s ASN 241 Cb -0.41 -2.29 0.35 0.00 -0.55 0.00 0.00 41.25 38.35 3i1i s ASN 241 CO 0.39 -0.68 1.28 -1.20 -2.79 0.00 0.00 177.10 174.09 3i1i n SER 242 N 6.02 1.72 -0.07 -4.21 7.64 -1.26 -4.07 113.62 119.39 3i1i n SER 242 Ca -0.03 -1.96 -0.13 0.00 1.01 0.00 0.00 58.87 57.76 3i1i n SER 242 Cb 0.48 -0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 63.42 3i1i n SER 242 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3i1i n ILE 243 N 0.43 0.77 -1.62 0.44 2.08 -1.26 -5.01 119.36 115.18 3i1i n ILE 243 Ca 0.12 -0.23 -0.47 0.00 0.56 0.00 0.00 62.75 62.72 3i1i n ILE 243 Cb 0.28 -1.40 -0.04 0.00 -0.75 0.00 0.00 39.64 37.73 3i1i n ILE 243 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 3i1i n GLU 244 N -3.34 1.57 -0.01 0.38 0.28 -1.26 -4.90 120.64 113.36 3i1i n GLU 244 Ca -0.26 0.56 0.10 0.00 -0.16 0.00 0.00 57.16 57.40 3i1i n GLU 244 Cb 0.72 -2.14 -0.16 0.00 1.43 0.00 0.00 31.44 31.29 3i1i n GLU 244 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i1i n VAL 245 N 1.80 0.03 -0.24 3.84 0.24 -1.26 -4.66 118.33 118.08 3i1i n VAL 245 Ca 0.14 -0.47 -0.06 0.00 -2.04 0.00 0.00 64.34 61.90 3i1i n VAL 245 Cb 0.27 0.02 0.05 0.00 -1.47 0.00 0.00 33.84 32.71 3i1i n VAL 245 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3i1i h GLU 246 N 0.00 0.94 -0.17 7.34 3.07 -1.95 -1.18 114.58 122.63 3i1i h GLU 246 Ca -0.01 -0.11 0.05 0.00 -0.50 0.00 0.00 59.36 58.78 3i1i h GLU 246 Cb 0.96 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.68 3i1i h GLU 246 CO 0.00 0.71 0.22 -1.35 -1.40 0.00 0.00 179.01 177.19 3i1i h PRO 247 N 0.92 0.00 -0.02 2.33 0.11 -1.80 -1.54 132.00 132.00 3i1i h PRO 247 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 3i1i h PRO 247 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 3i1i h PRO 247 CO -0.04 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.41 3i1i n TYR 248 N -3.63 0.02 -0.03 0.65 4.01 -0.45 -4.03 117.16 113.70 3i1i n TYR 248 Ca 0.01 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.72 3i1i n TYR 248 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.30 3i1i n TYR 248 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 3i1i n GLU 249 N -0.66 2.32 -3.89 -0.72 1.02 -0.58 -5.01 120.64 113.11 3i1i n GLU 249 Ca 0.18 -0.02 -0.11 0.00 -0.02 0.00 0.00 57.16 57.19 3i1i n GLU 249 Cb 0.13 -1.20 -0.12 0.00 -0.02 0.00 0.00 31.44 30.24 3i1i n GLU 249 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3i1i s LYS 250 N -2.25 0.23 0.30 3.49 1.02 -1.25 -5.02 119.74 116.26 3i1i s LYS 250 Ca -0.04 -0.22 0.03 0.00 0.02 0.00 0.00 55.97 55.76 3i1i s LYS 250 Cb 0.03 0.09 0.60 0.00 -0.52 0.00 0.00 37.83 38.03 3i1i s LYS 250 CO 0.32 -0.04 1.86 0.28 -0.92 0.00 0.00 175.35 176.84 3i1i h VAL 251 N 4.78 0.93 -0.01 3.17 2.07 -1.95 -2.36 116.25 122.88 3i1i h VAL 251 Ca -0.28 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3i1i h VAL 251 Cb 1.20 -0.10 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 3i1i h VAL 251 CO 0.44 0.17 -0.06 -1.54 0.02 0.00 0.00 177.57 176.60 3i1i n SER 252 N -4.58 0.66 -4.67 0.57 3.41 -1.26 -4.78 113.62 102.97 3i1i n SER 252 Ca 0.18 -0.95 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 3i1i n SER 252 Cb 0.35 -0.03 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 3i1i n SER 252 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3i1i s SER 253 N -2.23 7.10 0.33 4.04 0.01 -0.89 -5.00 113.70 117.06 3i1i s SER 253 Ca 0.36 1.50 -0.23 0.00 1.31 0.00 0.00 55.95 58.89 3i1i s SER 253 Cb 0.21 -2.54 -0.10 0.00 0.21 0.00 0.00 66.02 63.80 3i1i s SER 253 CO 0.41 -0.63 0.89 -0.76 0.41 0.00 0.00 173.24 173.56 3i1i s LEU 254 N 2.94 4.21 0.95 2.44 1.43 -1.26 -4.46 118.68 124.93 3i1i s LEU 254 Ca 0.48 1.68 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 3i1i s LEU 254 Cb -0.17 -4.09 0.16 0.00 0.03 0.00 0.00 46.19 42.12 3i1i s LEU 254 CO 0.11 -0.14 1.10 0.42 0.23 0.00 0.00 176.35 178.07 3i1i s THR 255 N -1.78 2.29 0.24 5.49 -4.23 -1.26 -4.55 115.64 111.84 3i1i s THR 255 Ca 0.52 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 61.17 3i1i s THR 255 Cb -0.15 -2.61 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 3i1i s THR 255 CO 0.20 -0.12 1.58 0.77 -0.54 0.00 0.00 174.62 176.51 3i1i h SER 256 N -1.73 0.30 -0.42 3.99 4.64 -1.93 -1.81 113.55 116.59 3i1i h SER 256 Ca -0.52 -0.16 -0.09 0.00 -0.47 0.00 0.00 61.79 60.55 3i1i h SER 256 Cb 1.31 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 3i1i h SER 256 CO 0.57 0.80 -0.04 2.19 -0.87 0.00 0.00 176.83 179.48 3i1i h PHE 257 N 0.21 0.92 -0.85 4.77 -5.15 -1.85 -1.42 116.94 113.58 3i1i h PHE 257 Ca 0.00 -0.15 -0.03 0.00 -0.20 0.00 0.00 57.97 57.59 3i1i h PHE 257 Cb 1.05 -0.24 -0.04 0.00 0.22 0.00 0.00 35.95 36.93 3i1i h PHE 257 CO 0.02 0.86 0.42 0.93 -2.00 0.00 0.00 178.31 178.54 3i1i h GLU 258 N 0.78 1.21 0.03 6.09 5.08 -1.84 -1.19 114.58 124.74 3i1i h GLU 258 Ca 0.14 -0.17 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3i1i h GLU 258 Cb 0.53 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3i1i h GLU 258 CO 0.03 0.92 -0.01 0.87 -1.00 0.00 0.00 179.01 179.81 3i1i h LYS 259 N 1.20 -0.04 0.07 2.33 1.57 -1.06 0.21 116.57 120.85 3i1i h LYS 259 Ca 0.29 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.09 3i1i h LYS 259 Cb 0.09 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3i1i h LYS 259 CO -0.04 0.07 -0.17 0.93 -0.57 0.00 0.00 179.45 179.67 3i1i h GLU 260 N -0.13 -0.31 -0.62 3.15 5.08 -1.06 -1.35 114.58 119.33 3i1i h GLU 260 Ca -0.00 0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3i1i h GLU 260 Cb 0.12 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3i1i h GLU 260 CO 0.01 -0.21 0.12 0.82 -1.00 0.00 0.00 179.01 178.75 3i1i h ILE 261 N -0.32 1.25 -0.60 3.13 2.04 -1.18 -1.85 117.51 119.99 3i1i h ILE 261 Ca 0.03 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 64.99 3i1i h ILE 261 Cb 0.35 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 37.03 3i1i h ILE 261 CO -0.11 0.36 0.32 0.78 0.00 0.00 0.00 178.15 179.50 3i1i h ASN 262 N 0.95 0.48 -0.14 1.72 4.21 -0.40 -1.37 115.58 121.02 3i1i h ASN 262 Ca 0.19 0.03 0.01 0.00 1.21 0.00 0.00 56.30 57.74 3i1i h ASN 262 Cb 0.38 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.51 3i1i h ASN 262 CO 0.01 0.32 0.08 0.50 -1.29 0.00 0.00 177.43 177.04 3i1i h LYS 263 N 0.61 0.16 -0.60 0.81 3.64 -0.46 0.41 116.57 121.14 3i1i h LYS 263 Ca 0.26 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 3i1i h LYS 263 Cb 0.15 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.91 3i1i h LYS 263 CO -0.17 0.11 0.33 -0.07 -2.27 0.00 0.00 179.45 177.37 3i1i h LEU 264 N 0.17 0.75 -0.14 5.20 3.38 -1.14 -2.05 115.31 121.49 3i1i h LEU 264 Ca 0.06 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.81 3i1i h LEU 264 Cb -0.00 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 3i1i h LEU 264 CO -0.03 0.63 -0.56 0.71 0.09 0.00 0.00 178.44 179.28 3i1i h THR 265 N 0.81 1.00 -0.19 0.22 1.35 -0.97 -2.41 112.91 112.72 3i1i h THR 265 Ca 0.21 -2.30 -0.06 0.00 -0.55 0.00 0.00 66.41 63.71 3i1i h THR 265 Cb 0.05 2.42 -0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3i1i h THR 265 CO -0.03 0.55 -0.11 0.22 -0.25 0.00 0.00 175.52 175.89 3i1i h TYR 266 N 0.00 0.48 -0.97 4.73 3.20 -0.81 -3.22 116.97 120.38 3i1i h TYR 266 Ca -0.01 -0.13 0.02 0.00 3.14 0.00 0.00 58.73 61.75 3i1i h TYR 266 Cb 1.37 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 39.49 3i1i h TYR 266 CO 0.00 0.73 0.64 0.00 -1.64 0.00 0.00 178.16 177.89 3i1i h ARG 267 N 0.09 1.26 0.00 1.82 3.08 -1.17 -2.44 114.38 117.01 3i1i h ARG 267 Ca 0.04 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3i1i h ARG 267 Cb 0.61 -0.28 0.00 0.00 0.08 0.00 0.00 29.97 30.38 3i1i h ARG 267 CO 0.03 0.83 0.00 -1.13 -1.07 0.00 0.00 179.97 178.63 3i1i n SER 268 N -4.40 0.00 -1.15 7.04 3.41 -0.93 -2.62 113.62 114.97 3i1i n SER 268 Ca 0.12 -0.37 0.08 0.00 -0.26 0.00 0.00 58.87 58.43 3i1i n SER 268 Cb 0.03 -0.19 0.28 0.00 -0.26 0.00 0.00 64.21 64.07 3i1i n SER 268 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3i1i n ILE 269 N -1.19 1.83 -0.14 -1.33 -5.35 -0.92 -4.66 119.36 107.60 3i1i n ILE 269 Ca 0.16 -1.38 -0.12 0.00 -0.27 0.00 0.00 62.75 61.14 3i1i n ILE 269 Cb 0.18 0.08 -0.01 0.00 -1.74 0.00 0.00 39.64 38.14 3i1i n ILE 269 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 3i1i h GLU 270 N 2.85 0.97 -0.60 6.28 5.08 -1.54 -3.01 114.58 124.62 3i1i h GLU 270 Ca 0.00 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3i1i h GLU 270 Cb 1.31 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3i1i h GLU 270 CO 0.19 1.14 0.00 1.28 -1.00 0.00 0.00 179.01 180.62 3i1i n LEU 271 N -4.08 3.44 -4.75 1.33 4.77 -1.26 -4.99 117.00 111.46 3i1i n LEU 271 Ca -0.01 -1.73 -0.33 0.00 -0.03 0.00 0.00 56.01 53.91 3i1i n LEU 271 Cb 0.51 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3i1i n LEU 271 CO 0.48 0.66 -0.28 -0.69 -1.33 0.00 0.00 177.39 176.23 3i1i s VAL 272 N -1.63 4.51 -0.18 4.08 1.01 -1.14 -3.50 120.40 123.54 3i1i s VAL 272 Ca 0.37 -0.51 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 3i1i s VAL 272 Cb 0.23 -3.05 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3i1i s VAL 272 CO 0.20 0.34 0.06 -0.62 0.00 0.00 0.00 175.10 175.08 3i1i s ASP 273 N -1.74 5.63 0.04 3.32 2.15 -0.52 -4.96 116.67 120.59 3i1i s ASP 273 Ca 0.22 0.08 -0.26 0.00 0.43 0.00 0.00 52.55 53.03 3i1i s ASP 273 Cb -0.12 -1.97 -0.17 0.00 -0.30 0.00 0.00 42.92 40.36 3i1i s ASP 273 CO 0.13 0.17 1.46 0.00 -0.17 0.00 0.00 175.17 176.77 3i1i h ALA 274 N 6.72 -0.25 -0.98 3.66 0.00 -1.96 -0.48 119.26 125.97 3i1i h ALA 274 Ca -0.37 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3i1i h ALA 274 Cb 1.17 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.98 3i1i h ALA 274 CO 0.70 -0.53 0.62 -0.91 0.00 0.00 0.00 179.25 179.13 3i1i h ASN 275 N -0.47 0.96 -0.53 0.00 2.35 -1.96 -1.38 115.58 114.55 3i1i h ASN 275 Ca -0.03 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3i1i h ASN 275 Cb 0.36 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 3i1i h ASN 275 CO 0.04 0.58 0.30 0.28 -1.65 0.00 0.00 177.43 176.98 3i1i h SER 276 N 1.08 0.66 0.00 5.81 0.02 -1.78 -1.57 113.55 117.77 3i1i h SER 276 Ca 0.44 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 3i1i h SER 276 Cb 0.27 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3i1i h SER 276 CO -0.21 0.55 0.00 1.87 -1.14 0.00 0.00 176.83 177.91 3i1i n TRP 277 N -4.64 0.00 0.00 3.45 -0.00 -0.22 -1.54 117.44 114.49 3i1i n TRP 277 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 3i1i n TRP 277 Cb 0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 31.31 31.34 3i1i n TRP 277 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3i1i n TYR 279 N 0.73 0.00 -0.08 5.87 4.02 -0.59 -0.78 117.16 126.33 3i1i n TYR 279 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 3i1i n TYR 279 Cb 0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.27 3i1i n TYR 279 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3i1i h THR 280 N 0.00 1.32 -0.93 -0.72 2.02 -1.55 -0.02 112.91 113.03 3i1i h THR 280 Ca 0.00 -1.48 0.06 0.00 0.77 0.00 0.00 66.41 65.76 3i1i h THR 280 Cb 0.00 1.71 -0.06 0.00 -1.74 0.00 0.00 68.15 68.05 3i1i h THR 280 CO 0.00 0.46 0.59 0.00 0.37 0.00 0.00 175.52 176.94 3i1i h ALA 281 N 0.66 1.27 -0.67 6.16 0.00 -1.20 -0.99 119.26 124.50 3i1i h ALA 281 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3i1i h ALA 281 Cb 0.87 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 3i1i h ALA 281 CO 0.07 0.38 0.43 -0.22 0.00 0.00 0.00 179.25 179.90 3i1i h LYS 282 N 1.09 0.90 -0.79 0.00 1.63 -1.71 -0.13 116.57 117.57 3i1i h LYS 282 Ca 0.40 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 60.16 3i1i h LYS 282 Cb 0.14 -0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 31.53 3i1i h LYS 282 CO -0.16 0.62 0.50 0.00 -3.45 0.00 0.00 179.45 176.95 3i1i h ALA 283 N 1.23 1.04 -0.26 5.00 0.00 -0.28 -0.07 119.26 125.92 3i1i h ALA 283 Ca 0.24 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 3i1i h ALA 283 Cb -0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i1i h ALA 283 CO -0.05 0.30 -0.04 0.28 0.00 0.00 0.00 179.25 179.74 3i1i h VAL 284 N 0.97 1.28 -0.14 0.00 2.07 -0.51 -2.09 116.25 117.82 3i1i h VAL 284 Ca 0.32 -1.03 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3i1i h VAL 284 Cb 0.03 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3i1i h VAL 284 CO -0.12 0.32 -0.19 0.25 0.02 0.00 0.00 177.57 177.85 3i1i h LEU 285 N 0.24 0.22 0.00 2.57 6.46 -0.71 -1.86 115.31 122.23 3i1i h LEU 285 Ca 0.07 -0.06 0.00 0.00 -0.12 0.00 0.00 57.88 57.77 3i1i h LEU 285 Cb 0.50 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 3i1i h LEU 285 CO 0.02 0.43 0.00 0.18 -0.62 0.00 0.00 178.44 178.46 3i1i n LEU 286 N -4.22 0.00 -4.67 2.25 4.77 -0.07 -4.85 117.00 110.21 3i1i n LEU 286 Ca -0.01 0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 56.05 3i1i n LEU 286 Cb 0.31 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 3i1i n LEU 286 CO 0.39 -0.05 1.50 -2.28 -1.33 0.00 0.00 177.39 175.62 3i1i s HIS 287 N -3.00 1.71 -0.31 -1.77 2.46 -0.70 -4.92 115.29 108.75 3i1i s HIS 287 Ca 0.13 -0.16 -0.02 0.00 0.47 0.00 0.00 55.06 55.48 3i1i s HIS 287 Cb 0.17 -4.13 0.19 0.00 -0.13 0.00 0.00 32.58 28.68 3i1i s HIS 287 CO 0.48 -4.89 0.83 0.34 -2.47 0.00 0.00 174.74 169.03 3i1i s ASP 288 N 3.68 -1.00 0.54 9.88 2.15 -1.26 -0.66 116.67 130.00 3i1i s ASP 288 Ca 0.82 -0.04 0.25 0.00 0.43 0.00 0.00 52.55 54.02 3i1i s ASP 288 Cb -0.41 1.53 1.51 0.00 -0.30 0.00 0.00 42.92 45.25 3i1i s ASP 288 CO 0.37 -0.16 2.13 0.16 -0.17 0.00 0.00 175.17 177.50 3i1i h ILE 289 N 4.98 0.67 0.00 4.11 3.07 -1.59 -0.68 117.51 128.07 3i1i h ILE 289 Ca -0.04 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 66.06 3i1i h ILE 289 Cb 1.19 1.19 0.00 0.00 -0.27 0.00 0.00 36.82 38.93 3i1i h ILE 289 CO 0.02 0.08 0.00 0.00 -1.05 0.00 0.00 178.15 177.20 3i1i h ALA 290 N 1.92 1.00 -2.60 0.16 0.00 -1.86 -3.45 119.26 114.44 3i1i h ALA 290 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.39 3i1i h ALA 290 Cb 0.18 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.02 3i1i h ALA 290 CO 0.01 0.00 1.02 -1.58 0.00 0.00 0.00 179.25 178.70 3i1i s HIS 291 N -3.34 2.68 0.00 0.00 5.65 -0.26 -0.86 115.29 119.16 3i1i s HIS 291 Ca 0.04 0.28 0.00 0.00 0.25 0.00 0.00 55.06 55.63 3i1i s HIS 291 Cb 0.09 -4.11 0.00 0.00 -1.18 0.00 0.00 32.58 27.38 3i1i s HIS 291 CO 0.42 -4.32 0.00 0.41 -0.65 0.00 0.00 174.74 170.60 3i1i n GLY 292 N 4.02 3.05 3.50 1.59 0.00 -1.26 -5.06 105.19 111.02 3i1i n GLY 292 Ca 0.16 -1.01 -0.20 0.00 0.00 0.00 0.00 46.02 44.97 3i1i n GLY 292 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3i1i n PHE 293 N 0.00 -1.56 0.31 1.61 3.72 -0.04 -5.02 117.46 116.48 3i1i n PHE 293 Ca 0.00 -2.01 0.12 0.00 -0.05 0.00 0.00 57.45 55.51 3i1i n PHE 293 Cb 0.00 -0.46 0.08 0.00 -0.94 0.00 0.00 39.48 38.16 3i1i n PHE 293 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3i1i h SER 294 N 0.33 0.00 -5.30 4.37 4.64 -1.96 -3.48 113.55 112.14 3i1i h SER 294 Ca -0.28 -0.09 0.20 0.00 -0.47 0.00 0.00 61.79 61.15 3i1i h SER 294 Cb 1.14 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.13 3i1i h SER 294 CO 0.42 0.05 0.56 -0.94 -0.87 0.00 0.00 176.83 176.05 3i1i s SER 295 N -4.94 -0.17 0.21 4.97 1.04 -1.26 -4.98 113.70 108.57 3i1i s SER 295 Ca 0.03 -0.29 -0.09 0.00 0.48 0.00 0.00 55.95 56.07 3i1i s SER 295 Cb 0.11 0.40 0.24 0.00 0.10 0.00 0.00 66.02 66.87 3i1i s SER 295 CO 0.76 -0.73 1.80 0.25 0.98 0.00 0.00 173.24 176.30 3i1i h LEU 296 N 2.00 0.53 -0.83 2.42 5.85 -1.93 -1.50 115.31 121.85 3i1i h LEU 296 Ca -0.25 0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.59 3i1i h LEU 296 Cb 1.22 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.12 3i1i h LEU 296 CO 0.27 0.34 0.49 -0.33 -0.34 0.00 0.00 178.44 178.87 3i1i h GLU 297 N 0.67 0.82 -0.35 1.25 5.08 -1.99 -0.98 114.58 119.08 3i1i h GLU 297 Ca 0.30 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.55 3i1i h GLU 297 Cb 0.20 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3i1i h GLU 297 CO -0.19 0.54 -0.00 1.49 -1.00 0.00 0.00 179.01 179.85 3i1i h GLU 298 N 0.84 0.62 -0.64 2.33 4.81 -1.76 -1.17 114.58 119.61 3i1i h GLU 298 Ca 0.38 -0.20 0.07 0.00 -0.13 0.00 0.00 59.36 59.48 3i1i h GLU 298 Cb 0.29 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.55 3i1i h GLU 298 CO -0.22 0.74 0.32 0.00 -0.73 0.00 0.00 179.01 179.13 3i1i h ALA 299 N 0.86 0.86 0.00 2.92 0.00 -0.48 -2.31 119.26 121.10 3i1i h ALA 299 Ca 0.10 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3i1i h ALA 299 Cb 0.46 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3i1i h ALA 299 CO 0.02 -0.04 -0.42 -0.07 0.00 0.00 0.00 179.25 178.73 3i1i h LEU 300 N 0.58 0.00 -2.00 0.00 3.38 -1.02 -2.91 115.31 113.35 3i1i h LEU 300 Ca 0.30 0.00 0.25 0.00 0.09 0.00 0.00 57.88 58.52 3i1i h LEU 300 Cb 0.26 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3i1i h LEU 300 CO -0.22 0.42 0.63 0.77 0.09 0.00 0.00 178.44 180.13 3i1i h SER 301 N 0.00 0.00 1.50 -0.43 4.64 -0.62 -1.70 113.55 116.94 3i1i h SER 301 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3i1i h SER 301 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3i1i h SER 301 CO 0.05 0.00 -0.37 0.78 -0.87 0.00 0.00 176.83 176.42 3i1i h ASN 302 N 0.00 0.00 -2.77 4.97 2.35 -1.60 -3.45 115.58 115.07 3i1i h ASN 302 Ca 0.41 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.64 3i1i h ASN 302 Cb 1.67 0.00 0.05 0.00 0.05 0.00 0.00 38.32 40.08 3i1i h ASN 302 CO -0.00 0.37 0.92 -0.69 -1.65 0.00 0.00 177.43 176.38 3i1i s VAL 303 N -3.11 2.48 0.00 2.81 1.01 -0.64 -4.71 120.40 118.24 3i1i s VAL 303 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.35 3i1i s VAL 303 Cb 0.07 -3.21 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3i1i s VAL 303 CO 0.72 0.02 0.30 -0.62 0.00 0.00 0.00 175.10 175.52 3i1i n GLU 304 N 4.06 1.51 -1.91 2.72 -0.58 -1.26 -5.04 120.64 120.13 3i1i n GLU 304 Ca 0.14 -0.30 -0.34 0.00 -0.42 0.00 0.00 57.16 56.25 3i1i n GLU 304 Cb 0.38 -0.78 0.04 0.00 -0.57 0.00 0.00 31.44 30.50 3i1i n GLU 304 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i1i s ALA 305 N -0.30 2.52 0.16 0.62 0.00 -1.25 -4.48 121.76 119.02 3i1i s ALA 305 Ca 0.00 0.69 -0.31 0.00 0.00 0.00 0.00 51.96 52.34 3i1i s ALA 305 Cb 0.00 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.67 3i1i s ALA 305 CO 0.00 -1.16 1.50 -0.80 0.00 0.00 0.00 175.76 175.31 3i1i s ASN 306 N -2.22 6.66 -0.11 0.00 -0.87 -0.36 -4.71 114.94 113.33 3i1i s ASN 306 Ca 0.70 2.55 0.02 0.00 -1.57 0.00 0.00 52.86 54.56 3i1i s ASN 306 Cb -0.23 -2.60 -0.01 0.00 -0.02 0.00 0.00 41.25 38.40 3i1i s ASN 306 CO 0.37 -0.76 -0.19 -0.69 -2.57 0.00 0.00 177.10 173.26 3i1i s VAL 307 N 0.97 2.57 0.48 1.60 1.01 -0.23 -4.27 120.40 122.53 3i1i s VAL 307 Ca 0.67 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3i1i s VAL 307 Cb -0.42 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 33.93 3i1i s VAL 307 CO 0.33 0.55 0.07 -0.22 0.00 0.00 0.00 175.10 175.82 3i1i s LEU 308 N 0.24 2.10 0.00 3.92 2.96 -1.26 -1.17 118.68 125.47 3i1i s LEU 308 Ca -0.12 -1.72 0.00 0.00 -0.22 0.00 0.00 54.13 52.07 3i1i s LEU 308 Cb -0.16 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 46.12 3i1i s LEU 308 CO 0.07 -0.95 0.00 -0.38 -1.32 0.00 0.00 176.35 173.76 3i1i n ILE 310 N -1.15 0.00 -2.54 6.68 5.41 -0.07 -0.97 119.36 126.72 3i1i n ILE 310 Ca -0.15 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.35 3i1i n ILE 310 Cb 0.66 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.62 3i1i n ILE 310 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3i1i s PRO 311 N 0.00 2.91 -0.18 0.38 0.04 -1.24 -0.34 135.00 136.57 3i1i s PRO 311 Ca 0.00 -0.17 -0.03 0.00 0.04 0.00 0.00 61.00 60.84 3i1i s PRO 311 Cb 0.00 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 3i1i s PRO 311 CO 0.00 -0.62 -0.07 0.00 0.04 0.00 0.00 177.00 176.36 3i1i h LYS 313 N 7.36 0.00 -0.47 0.00 3.64 -1.44 0.23 116.57 125.89 3i1i h LYS 313 Ca -0.34 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3i1i h LYS 313 Cb 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 3i1i h LYS 313 CO 0.60 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 178.82 3i1i n GLN 314 N -4.34 2.15 -2.26 1.90 3.00 -1.26 -4.85 117.38 111.72 3i1i n GLN 314 Ca 0.07 -1.79 -0.43 0.00 -0.01 0.00 0.00 57.00 54.85 3i1i n GLN 314 Cb 0.51 -1.40 -0.02 0.00 0.00 0.00 0.00 30.24 29.33 3i1i n GLN 314 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3i1i s ASP 315 N -1.07 6.65 0.33 1.08 -1.08 0.07 -4.40 116.67 118.24 3i1i s ASP 315 Ca 0.34 1.61 0.23 0.00 -0.52 0.00 0.00 52.55 54.21 3i1i s ASP 315 Cb 0.18 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.35 3i1i s ASP 315 CO 0.24 -1.03 1.40 -0.07 0.52 0.00 0.00 175.17 176.23 3i1i h LEU 316 N 10.75 0.00 0.10 -1.34 3.38 -1.84 -3.33 115.31 123.03 3i1i h LEU 316 Ca -0.30 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.34 3i1i h LEU 316 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3i1i h LEU 316 CO 1.00 0.01 -1.68 -0.07 0.09 0.00 0.00 178.44 177.78 3i1i h LEU 317 N 0.00 0.33 -6.73 1.67 3.38 -1.90 -3.43 115.31 108.63 3i1i h LEU 317 Ca 0.00 -0.55 -0.60 0.00 0.09 0.00 0.00 57.88 56.81 3i1i h LEU 317 Cb 0.97 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 41.22 3i1i h LEU 317 CO 0.00 1.48 -0.79 -1.10 0.09 0.00 0.00 178.44 178.11 3i1i s GLN 318 N -2.60 1.49 0.25 1.13 -1.52 -1.26 -4.70 119.66 112.45 3i1i s GLN 318 Ca -0.12 -2.48 -0.31 0.00 -1.95 0.00 0.00 55.36 50.50 3i1i s GLN 318 Cb 0.07 -2.26 -0.13 0.00 -0.22 0.00 0.00 33.01 30.47 3i1i s GLN 318 CO 0.83 -1.30 1.54 -2.30 -0.25 0.00 0.00 175.29 173.80 3i1i n PRO 319 N 2.72 2.39 0.20 2.91 -0.02 -1.25 -4.74 135.00 137.21 3i1i n PRO 319 Ca 0.22 0.85 0.14 0.00 -2.02 0.00 0.00 63.50 62.69 3i1i n PRO 319 Cb 0.41 -2.59 0.51 0.00 -0.02 0.00 0.00 33.50 31.80 3i1i n PRO 319 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i1i h SER 320 N 4.92 0.00 -0.50 2.55 4.64 -1.82 -3.21 113.55 120.12 3i1i h SER 320 Ca -0.46 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 60.99 3i1i h SER 320 Cb 1.25 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3i1i h SER 320 CO 0.81 0.00 0.35 0.08 -0.87 0.00 0.00 176.83 177.20 3i1i h ARG 321 N 0.00 0.12 0.00 4.77 0.11 -1.98 0.04 114.38 117.45 3i1i h ARG 321 Ca 0.00 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.07 3i1i h ARG 321 Cb 0.58 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3i1i h ARG 321 CO 0.00 0.08 0.00 1.88 0.10 0.00 0.00 179.97 182.03 3i1i h TYR 322 N 0.13 0.00 -0.47 4.08 0.05 -1.95 -2.31 116.97 116.49 3i1i h TYR 322 Ca 0.24 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.93 3i1i h TYR 322 Cb 0.78 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.50 3i1i h TYR 322 CO -0.00 0.00 -0.04 -0.91 -1.05 0.00 0.00 178.16 176.16 3i1i h ASN 323 N 0.00 0.86 -0.67 3.88 -0.26 -1.19 -3.16 115.58 115.03 3i1i h ASN 323 Ca 0.00 -0.33 -0.05 0.00 -0.56 0.00 0.00 56.30 55.36 3i1i h ASN 323 Cb 0.80 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.80 3i1i h ASN 323 CO 0.00 0.98 0.22 1.88 -1.06 0.00 0.00 177.43 179.45 3i1i h TYR 324 N 0.72 1.08 0.00 1.19 0.05 -1.38 -1.31 116.97 117.32 3i1i h TYR 324 Ca 0.13 -0.11 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3i1i h TYR 324 Cb 0.57 -0.31 0.00 0.00 1.01 0.00 0.00 36.73 37.99 3i1i h TYR 324 CO 0.04 0.87 0.00 1.17 -1.05 0.00 0.00 178.16 179.19 3i1i n LYS 325 N -4.33 0.00 0.00 4.88 4.81 -0.90 -1.10 118.16 121.52 3i1i n LYS 325 Ca 0.05 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 3i1i n LYS 325 Cb 0.22 -0.98 0.00 0.00 0.02 0.00 0.00 35.03 34.28 3i1i n LYS 325 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3i1i n VAL 327 N 0.16 0.00 -0.14 3.15 0.31 -0.50 -1.31 118.33 120.01 3i1i n VAL 327 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3i1i n VAL 327 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1i n VAL 327 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 3i1i h ASP 328 N 0.00 0.54 -0.44 4.52 3.58 -1.36 -0.15 116.42 123.11 3i1i h ASP 328 Ca 0.00 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.33 3i1i h ASP 328 Cb 0.00 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 40.89 3i1i h ASP 328 CO 0.00 0.50 0.28 -0.07 -2.88 0.00 0.00 179.24 177.08 3i1i h LEU 329 N 0.53 0.51 -0.83 2.28 3.38 -1.46 -1.06 115.31 118.66 3i1i h LEU 329 Ca 0.14 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3i1i h LEU 329 Cb 0.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3i1i h LEU 329 CO -0.02 0.38 0.48 -0.07 0.09 0.00 0.00 178.44 179.31 3i1i h LEU 330 N 0.59 1.02 -0.66 1.67 3.38 -1.77 -2.35 115.31 117.20 3i1i h LEU 330 Ca 0.16 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 3i1i h LEU 330 Cb -0.05 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.41 3i1i h LEU 330 CO -0.03 0.81 0.16 1.56 0.09 0.00 0.00 178.44 181.02 3i1i h GLN 331 N 1.15 1.06 0.00 1.13 4.20 -0.62 -0.99 115.11 121.04 3i1i h GLN 331 Ca 0.30 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3i1i h GLN 331 Cb -0.01 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.63 3i1i h GLN 331 CO -0.05 0.95 0.00 0.87 -0.67 0.00 0.00 178.83 179.93 3i1i h LYS 332 N 0.98 0.00 -0.01 1.46 1.57 -0.88 0.13 116.57 119.82 3i1i h LYS 332 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3i1i h LYS 332 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3i1i h LYS 332 CO 0.00 0.00 0.00 1.04 -0.57 0.00 0.00 179.45 179.92 3i1i n GLN 333 N -2.84 1.11 -0.96 3.15 6.02 -0.81 -4.90 117.38 118.15 3i1i n GLN 333 Ca 0.00 -0.16 0.00 0.00 -0.01 0.00 0.00 57.00 56.83 3i1i n GLN 333 Cb 0.24 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.09 3i1i n GLN 333 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i1i n GLY 334 N 0.93 0.46 3.94 1.08 0.00 0.46 -5.06 105.19 107.00 3i1i n GLY 334 Ca 0.19 -0.55 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 3i1i n GLY 334 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1i s LYS 335 N -1.03 3.49 -0.25 1.61 1.02 -0.44 -4.99 119.74 119.15 3i1i s LYS 335 Ca 0.00 -0.24 -0.25 0.00 0.02 0.00 0.00 55.97 55.51 3i1i s LYS 335 Cb 0.00 -2.61 -0.00 0.00 -0.52 0.00 0.00 37.83 34.70 3i1i s LYS 335 CO 0.00 0.07 0.84 -0.47 -0.92 0.00 0.00 175.35 174.87 3i1i s TYR 336 N -2.40 3.30 -0.25 3.18 5.04 -1.26 -4.13 117.35 120.83 3i1i s TYR 336 Ca 0.41 1.13 -0.21 0.00 -2.44 0.00 0.00 57.07 55.97 3i1i s TYR 336 Cb -0.10 -3.08 0.07 0.00 0.35 0.00 0.00 41.96 39.20 3i1i s TYR 336 CO 0.38 -0.42 0.66 0.00 -1.34 0.00 0.00 175.55 174.82 3i1i s ALA 337 N 2.88 -1.66 0.05 3.97 0.00 -1.26 -1.07 121.76 124.67 3i1i s ALA 337 Ca 0.35 1.97 -0.11 0.00 0.00 0.00 0.00 51.96 54.17 3i1i s ALA 337 Cb -0.15 -1.15 0.01 0.00 0.00 0.00 0.00 23.12 21.83 3i1i s ALA 337 CO 0.08 -0.32 0.23 -1.21 0.00 0.00 0.00 175.76 174.53 3i1i s GLU 338 N 0.67 0.74 -0.15 0.00 0.41 -0.32 -4.89 118.70 115.16 3i1i s GLU 338 Ca -0.03 -0.62 -0.05 0.00 -0.41 0.00 0.00 54.97 53.87 3i1i s GLU 338 Cb -0.05 0.31 -0.03 0.00 -1.78 0.00 0.00 34.13 32.58 3i1i s GLU 338 CO -0.04 -0.23 0.00 0.08 -0.49 0.00 0.00 175.26 174.59 3i1i s VAL 339 N -2.69 4.28 -0.30 2.63 1.01 -1.26 -4.25 120.40 119.82 3i1i s VAL 339 Ca -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.74 3i1i s VAL 339 Cb -0.00 -2.88 0.09 0.00 0.00 0.00 0.00 36.38 33.58 3i1i s VAL 339 CO -0.04 0.51 0.01 -0.47 0.00 0.00 0.00 175.10 175.10 3i1i s TYR 340 N 0.11 3.10 -0.17 5.22 5.04 -1.26 -5.02 117.35 124.37 3i1i s TYR 340 Ca 0.02 -2.45 -0.19 0.00 -2.44 0.00 0.00 57.07 52.01 3i1i s TYR 340 Cb -0.13 -2.30 -0.03 0.00 0.35 0.00 0.00 41.96 39.84 3i1i s TYR 340 CO 0.02 -0.89 0.52 -2.00 -1.34 0.00 0.00 175.55 171.86 3i1i s GLU 341 N 1.14 4.25 0.33 4.97 2.12 -1.26 -3.68 118.70 126.57 3i1i s GLU 341 Ca 0.04 0.47 0.07 0.00 0.36 0.00 0.00 54.97 55.90 3i1i s GLU 341 Cb -0.19 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.67 3i1i s GLU 341 CO -0.10 -0.05 0.41 0.96 -0.54 0.00 0.00 175.26 175.94 3i1i s ILE 342 N 1.31 4.00 -0.03 -3.70 -4.36 -0.11 -4.94 121.20 113.36 3i1i s ILE 342 Ca 0.26 -1.10 0.03 0.00 -0.26 0.00 0.00 60.65 59.57 3i1i s ILE 342 Cb -0.15 -3.37 0.00 0.00 1.25 0.00 0.00 42.46 40.18 3i1i s ILE 342 CO 0.10 -0.17 -0.11 -1.61 0.24 0.00 0.00 174.94 173.39 3i1i s GLU 343 N -4.11 1.14 -0.21 0.37 2.02 -1.26 -1.01 118.70 115.65 3i1i s GLU 343 Ca 0.43 -0.37 -0.28 0.00 0.02 0.00 0.00 54.97 54.77 3i1i s GLU 343 Cb -0.08 -1.04 0.12 0.00 0.10 0.00 0.00 34.13 33.22 3i1i s GLU 343 CO 0.30 0.14 1.00 0.45 0.02 0.00 0.00 175.26 177.17 3i1i s SER 344 N 0.17 -0.41 0.62 -0.19 0.15 -1.26 -4.98 113.70 107.80 3i1i s SER 344 Ca -0.03 0.61 0.40 0.00 0.70 0.00 0.00 55.95 57.63 3i1i s SER 344 Cb -0.09 0.56 2.05 0.00 -1.71 0.00 0.00 66.02 66.82 3i1i s SER 344 CO 0.01 -0.27 2.24 -0.29 1.20 0.00 0.00 173.24 176.13 3i1i h ILE 345 N 3.03 0.03 0.00 6.45 2.10 -1.98 -2.16 117.51 124.98 3i1i h ILE 345 Ca -0.23 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.52 3i1i h ILE 345 Cb 1.17 1.18 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3i1i h ILE 345 CO 0.22 0.01 0.00 0.59 -1.08 0.00 0.00 178.15 177.89 3i1i n ASN 346 N -3.12 0.00 0.00 2.19 3.02 -1.26 -2.15 115.26 113.94 3i1i n ASN 346 Ca -0.02 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.47 3i1i n ASN 346 Cb 0.15 -0.26 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 3i1i n ASN 346 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1i n GLY 347 N 0.42 3.29 1.42 7.41 0.00 -0.81 -3.34 105.19 113.59 3i1i n GLY 347 Ca 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i1i n GLY 347 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3i1i n HIS 348 N 14.00 0.00 0.00 1.61 -0.00 -0.88 -4.37 115.22 125.58 3i1i n HIS 348 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 3i1i n HIS 348 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 29.99 29.90 3i1i n HIS 348 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3i1i n ALA 350 N 1.02 0.00 0.29 1.57 0.00 -1.21 -4.47 120.51 117.71 3i1i n ALA 350 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3i1i n ALA 350 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 3i1i n ALA 350 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i1i h GLY 351 N 0.00 0.00 0.00 0.00 0.00 -1.91 -0.23 103.07 100.93 3i1i h GLY 351 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 3i1i h GLY 351 CO 0.00 0.00 -1.65 -0.62 0.00 0.00 0.00 176.54 174.27 3i1i n VAL 352 N -3.08 0.65 0.63 4.60 0.31 -1.26 -4.76 118.33 115.42 3i1i n VAL 352 Ca 0.00 -0.33 0.11 0.00 -0.01 0.00 0.00 64.34 64.11 3i1i n VAL 352 Cb 0.27 -0.83 -0.05 0.00 -0.91 0.00 0.00 33.84 32.32 3i1i n VAL 352 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3i1i n PHE 353 N -2.56 0.11 -2.44 3.52 3.72 -1.22 -4.50 117.46 114.09 3i1i n PHE 353 Ca -0.18 0.03 -0.23 0.00 -0.05 0.00 0.00 57.45 57.02 3i1i n PHE 353 Cb 0.77 -0.28 0.01 0.00 -0.94 0.00 0.00 39.48 39.03 3i1i n PHE 353 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3i1i n ASP 354 N -1.83 4.21 -0.32 4.37 8.00 -0.10 -4.83 116.55 126.04 3i1i n ASP 354 Ca 0.02 -3.54 0.29 0.00 0.71 0.00 0.00 54.79 52.27 3i1i n ASP 354 Cb 0.42 -0.45 0.54 0.00 -0.02 0.00 0.00 41.12 41.61 3i1i n ASP 354 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3i1i h ILE 355 N 2.67 0.08 0.00 0.53 5.03 -1.79 0.17 117.51 124.20 3i1i h ILE 355 Ca 0.24 -0.03 0.00 0.00 -0.12 0.00 0.00 64.86 64.95 3i1i h ILE 355 Cb 1.07 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.84 3i1i h ILE 355 CO 0.77 0.02 0.00 0.45 -0.68 0.00 0.00 178.15 178.70 3i1i h HIS 356 N 0.09 0.00 0.00 1.37 3.86 -1.94 -0.80 115.15 117.72 3i1i h HIS 356 Ca 0.80 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.99 3i1i h HIS 356 Cb 2.03 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 30.50 3i1i h HIS 356 CO -0.04 0.00 -0.10 -0.07 0.86 0.00 0.00 177.93 178.58 3i1i h LEU 357 N 0.00 0.00 -0.18 2.43 3.38 -1.05 -3.36 115.31 116.53 3i1i h LEU 357 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i1i h LEU 357 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3i1i h LEU 357 CO 0.00 0.10 0.00 2.22 0.09 0.00 0.00 178.44 180.85 3i1i n PHE 358 N -3.21 0.00 -0.15 1.13 1.16 -0.76 -4.87 117.46 110.76 3i1i n PHE 358 Ca 0.01 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.61 3i1i n PHE 358 Cb 0.40 0.00 0.30 0.00 -1.61 0.00 0.00 39.48 38.57 3i1i n PHE 358 CO 0.00 0.00 0.00 1.05 -1.87 0.00 0.00 176.76 175.94 3i1i h GLU 359 N 0.00 0.84 -0.35 3.97 4.11 -1.33 -1.23 114.58 120.60 3i1i h GLU 359 Ca 0.00 -0.05 -0.11 0.00 0.07 0.00 0.00 59.36 59.27 3i1i h GLU 359 Cb 0.35 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3i1i h GLU 359 CO 0.00 0.56 -0.24 -0.22 0.07 0.00 0.00 179.01 179.18 3i1i h LYS 360 N 0.87 0.68 -0.47 1.06 3.64 -1.86 -1.96 116.57 118.54 3i1i h LYS 360 Ca 0.23 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.25 3i1i h LYS 360 Cb -0.10 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3i1i h LYS 360 CO -0.05 0.86 -0.06 -0.22 -2.27 0.00 0.00 179.45 177.71 3i1i h LYS 361 N 0.60 0.86 -0.05 1.90 1.63 -1.71 -2.39 116.57 117.41 3i1i h LYS 361 Ca 0.08 -0.30 0.01 0.00 -0.85 0.00 0.00 60.65 59.59 3i1i h LYS 361 Cb 0.72 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 3i1i h LYS 361 CO 0.06 0.94 -0.02 0.28 -3.45 0.00 0.00 179.45 177.26 3i1i h VAL 362 N 0.71 0.94 -0.25 2.00 2.07 -0.98 -0.85 116.25 119.88 3i1i h VAL 362 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 3i1i h VAL 362 Cb 0.59 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 3i1i h VAL 362 CO 0.04 0.00 -0.15 0.22 0.02 0.00 0.00 177.57 177.69 3i1i h TYR 363 N -0.01 -0.37 -0.62 1.57 3.20 -1.33 0.90 116.97 120.31 3i1i h TYR 363 Ca 0.03 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.90 3i1i h TYR 363 Cb 0.05 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 3i1i h TYR 363 CO -0.12 -0.22 0.26 0.93 -1.64 0.00 0.00 178.16 177.37 3i1i h GLU 364 N -0.13 0.89 -0.35 1.82 5.08 -1.16 -2.77 114.58 117.96 3i1i h GLU 364 Ca 0.14 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3i1i h GLU 364 Cb 0.34 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3i1i h GLU 364 CO -0.33 0.72 -0.39 0.35 -1.00 0.00 0.00 179.01 178.36 3i1i h PHE 365 N 0.88 1.01 0.00 4.33 3.57 -0.15 -1.79 116.94 124.80 3i1i h PHE 365 Ca 0.21 -0.30 -0.01 0.00 3.53 0.00 0.00 57.97 61.41 3i1i h PHE 365 Cb 0.15 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.67 3i1i h PHE 365 CO 0.01 1.09 -0.03 -0.07 -2.23 0.00 0.00 178.31 177.08 3i1i h LEU 366 N 0.69 0.00 -0.91 0.59 3.38 -0.64 -2.49 115.31 115.93 3i1i h LEU 366 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i1i h LEU 366 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3i1i h LEU 366 CO 0.09 0.03 -0.49 0.59 0.09 0.00 0.00 178.44 178.76 3i1i n ASN 367 N -3.34 1.90 -4.79 -0.43 3.02 -0.90 -4.95 115.26 105.78 3i1i n ASN 367 Ca -0.02 -1.44 -0.37 0.00 -0.03 0.00 0.00 54.58 52.73 3i1i n ASN 367 Cb 0.17 0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 39.75 3i1i n ASN 367 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3i1i s ARG 368 N -2.51 4.53 0.52 3.52 3.52 -0.72 -5.03 118.95 122.78 3i1i s ARG 368 Ca 0.18 1.27 -0.19 0.00 -0.13 0.00 0.00 55.73 56.87 3i1i s ARG 368 Cb 0.18 -2.76 -0.07 0.00 -1.56 0.00 0.00 34.95 30.74 3i1i s ARG 368 CO 0.58 0.27 1.04 -1.59 -0.81 0.00 0.00 175.30 174.79 3i1i s LYS 369 N -2.13 3.68 0.17 5.12 -2.85 -1.26 -4.99 119.74 117.47 3i1i s LYS 369 Ca 0.50 1.28 -0.30 0.00 -1.00 0.00 0.00 55.97 56.45 3i1i s LYS 369 Cb -0.18 -2.08 -0.08 0.00 -2.06 0.00 0.00 37.83 33.43 3i1i s LYS 369 CO 0.23 -0.52 1.31 0.08 0.10 0.00 0.00 175.35 176.54 3i1i s VAL 370 N -2.17 3.33 -0.12 1.79 1.01 -1.26 -4.95 120.40 118.03 3i1i s VAL 370 Ca 0.65 1.05 -0.18 0.00 0.00 0.00 0.00 61.98 63.51 3i1i s VAL 370 Cb -0.16 -3.67 -0.26 0.00 0.00 0.00 0.00 36.38 32.29 3i1i s VAL 370 CO 0.25 0.13 0.52 -1.28 0.00 0.00 0.00 175.10 174.73 3i1i h SER 371 N 5.81 0.29 -3.68 3.32 0.87 -1.90 -3.46 113.55 114.81 3i1i h SER 371 Ca -0.44 -0.82 -0.35 0.00 -1.23 0.00 0.00 61.79 58.95 3i1i h SER 371 Cb 1.21 -0.10 0.13 0.00 -0.44 0.00 0.00 62.40 63.21 3i1i h SER 371 CO 0.79 1.55 0.31 -1.54 -0.53 0.00 0.00 176.83 177.41 3i1i n SER 372 N -4.05 0.20 -0.76 6.23 3.41 -1.26 -5.08 113.62 112.32 3i1i n SER 372 Ca -0.25 -1.45 0.13 0.00 -0.26 0.00 0.00 58.87 57.04 3i1i n SER 372 Cb 0.84 -0.78 0.28 0.00 -0.26 0.00 0.00 64.21 64.28 3i1i n SER 372 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37