#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 0.01 -2.82 5.09 -0.00 -1.26 -4.73 119.36 115.65 3i1i n ILE 3 Ca 0.00 -0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.35 3i1i n ILE 3 Cb 0.00 -0.74 -0.05 0.00 -0.00 0.00 0.00 39.64 38.85 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 0.49 4.33 -0.17 1.39 1.01 -0.34 -5.02 120.40 122.08 3i1i s VAL 4 Ca 0.85 1.95 -0.05 0.00 0.00 0.00 0.00 61.98 64.73 3i1i s VAL 4 Cb -0.99 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 31.09 3i1i s VAL 4 CO 0.48 0.44 0.00 -0.75 0.00 0.00 0.00 175.10 175.27 3i1i s LYS 5 N -0.72 3.76 0.21 2.72 2.20 -1.26 -4.52 119.74 122.13 3i1i s LYS 5 Ca 0.41 -0.46 -0.30 0.00 -0.36 0.00 0.00 55.97 55.26 3i1i s LYS 5 Cb -0.24 -3.04 -0.08 0.00 -1.51 0.00 0.00 37.83 32.95 3i1i s LYS 5 CO 0.29 0.21 1.02 0.21 -0.36 0.00 0.00 175.35 176.72 3i1i s LYS 6 N 0.50 4.71 0.43 4.03 2.47 -1.26 -4.60 119.74 126.00 3i1i s LYS 6 Ca -0.01 1.62 0.04 0.00 -1.56 0.00 0.00 55.97 56.06 3i1i s LYS 6 Cb -0.14 -3.27 -0.04 0.00 -1.46 0.00 0.00 37.83 32.92 3i1i s LYS 6 CO 0.02 0.28 0.05 -1.21 0.16 0.00 0.00 175.35 174.64 3i1i s GLU 7 N -0.82 1.97 -0.05 4.03 0.41 0.16 -4.99 118.70 119.40 3i1i s GLU 7 Ca 0.45 -2.18 -0.02 0.00 -0.41 0.00 0.00 54.97 52.81 3i1i s GLU 7 Cb -0.28 -1.20 0.04 0.00 -1.78 0.00 0.00 34.13 30.91 3i1i s GLU 7 CO 0.35 -0.28 0.09 0.21 -0.49 0.00 0.00 175.26 175.13 3i1i s LYS 8 N -3.80 -0.00 -0.08 1.61 2.20 -1.26 -1.75 119.74 116.65 3i1i s LYS 8 Ca 0.23 0.36 -0.00 0.00 -0.36 0.00 0.00 55.97 56.19 3i1i s LYS 8 Cb 0.05 -0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.04 3i1i s LYS 8 CO 0.12 -0.23 -0.05 0.12 -0.36 0.00 0.00 175.35 174.94 3i1i s PHE 9 N 1.60 2.99 0.04 4.03 5.36 -1.26 -4.97 117.98 125.77 3i1i s PHE 9 Ca -0.03 0.01 0.06 0.00 -0.96 0.00 0.00 56.93 56.01 3i1i s PHE 9 Cb -0.12 -1.76 -0.03 0.00 -0.34 0.00 0.00 43.02 40.77 3i1i s PHE 9 CO -0.04 0.31 -0.15 0.42 -1.46 0.00 0.00 175.22 174.30 3i1i s ILE 10 N -0.67 3.04 -0.17 3.12 -1.09 -1.26 -4.39 121.20 119.78 3i1i s ILE 10 Ca 0.10 -1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 57.41 3i1i s ILE 10 Cb -0.11 -2.31 0.04 0.00 -1.58 0.00 0.00 42.46 38.50 3i1i s ILE 10 CO 0.02 0.32 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.79 3i1i s LEU 11 N -1.52 1.65 0.34 2.97 2.96 -0.29 -5.01 118.68 119.78 3i1i s LEU 11 Ca 0.16 -0.71 0.06 0.00 -0.22 0.00 0.00 54.13 53.43 3i1i s LEU 11 Cb -0.11 -0.91 0.73 0.00 0.50 0.00 0.00 46.19 46.41 3i1i s LEU 11 CO 0.07 -0.20 1.89 0.11 -1.32 0.00 0.00 176.35 176.90 3i1i h LYS 12 N 8.12 0.76 -2.77 1.98 1.79 -1.93 -1.93 116.57 122.58 3i1i h LYS 12 Ca -0.23 -0.05 -0.13 0.00 -2.18 0.00 0.00 60.65 58.06 3i1i h LYS 12 Cb 1.11 -0.17 -0.26 0.00 -1.58 0.00 0.00 32.23 31.33 3i1i h LYS 12 CO 0.40 0.50 -0.32 -1.21 -1.08 0.00 0.00 179.45 177.74 3i1i s GLU 13 N -5.73 0.38 -0.03 3.15 0.41 -1.26 -3.59 118.70 112.02 3i1i s GLU 13 Ca -0.10 0.65 0.04 0.00 -0.41 0.00 0.00 54.97 55.14 3i1i s GLU 13 Cb 0.21 0.05 -0.00 0.00 -1.78 0.00 0.00 34.13 32.61 3i1i s GLU 13 CO 0.79 -0.12 -0.14 -0.47 -0.49 0.00 0.00 175.26 174.83 3i1i s TYR 14 N 0.93 1.36 -0.29 1.61 5.04 0.20 -4.92 117.35 121.28 3i1i s TYR 14 Ca -0.06 -0.36 -0.10 0.00 -2.44 0.00 0.00 57.07 54.11 3i1i s TYR 14 Cb -0.07 -0.93 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 3i1i s TYR 14 CO -0.07 -0.12 0.17 0.99 -1.34 0.00 0.00 175.55 175.18 3i1i s THR 15 N 0.04 4.95 0.65 4.34 2.01 -1.26 -1.85 115.64 124.53 3i1i s THR 15 Ca -0.02 -0.11 -0.15 0.00 0.31 0.00 0.00 61.69 61.72 3i1i s THR 15 Cb -0.10 -3.43 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 3i1i s THR 15 CO 0.01 0.17 1.09 -0.36 -0.69 0.00 0.00 174.62 174.84 3i1i s PHE 16 N 1.69 2.75 0.45 4.92 0.08 0.11 -4.88 117.98 123.10 3i1i s PHE 16 Ca 0.06 1.53 0.27 0.00 0.12 0.00 0.00 56.93 58.91 3i1i s PHE 16 Cb -0.16 -3.10 1.31 0.00 -0.57 0.00 0.00 43.02 40.50 3i1i s PHE 16 CO 0.08 -1.51 1.76 0.93 -0.10 0.00 0.00 175.22 176.38 3i1i h GLU 17 N -0.01 0.21 -0.08 0.44 4.39 -1.90 0.53 114.58 118.16 3i1i h GLU 17 Ca -0.46 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.22 3i1i h GLU 17 Cb 1.24 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 3i1i h GLU 17 CO 0.55 0.14 0.00 0.27 -1.16 0.00 0.00 179.01 178.81 3i1i n ASN 18 N -4.48 0.42 0.00 1.42 0.23 -1.26 -4.91 115.26 106.68 3i1i n ASN 18 Ca 0.27 -1.99 0.00 0.00 -0.53 0.00 0.00 54.58 52.34 3i1i n ASN 18 Cb 1.10 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 38.75 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 0.63 1.49 3.76 4.83 0.00 0.18 -5.05 105.19 111.04 3i1i n GLY 19 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.65 4.55 -0.15 1.61 6.06 -1.26 -4.69 118.95 124.42 3i1i s ARG 20 Ca 0.00 1.92 0.01 0.00 -2.50 0.00 0.00 55.73 55.16 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 0.07 -0.18 0.99 -2.50 0.00 0.00 175.30 173.68 3i1i s THR 21 N -1.01 1.82 0.03 4.11 2.01 -1.26 0.04 115.64 121.39 3i1i s THR 21 Ca 0.47 -0.81 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 3i1i s THR 21 Cb -0.34 -1.66 0.01 0.00 0.01 0.00 0.00 72.50 70.52 3i1i s THR 21 CO 0.44 0.50 0.23 0.27 -0.69 0.00 0.00 174.62 175.37 3i1i s ILE 22 N 1.22 0.09 0.64 1.82 -4.36 -0.77 -4.91 121.20 114.93 3i1i s ILE 22 Ca 0.01 -0.78 -0.17 0.00 -0.26 0.00 0.00 60.65 59.45 3i1i s ILE 22 Cb -0.14 -0.84 -0.01 0.00 1.25 0.00 0.00 42.46 42.72 3i1i s ILE 22 CO -0.09 -0.43 1.20 -2.84 0.24 0.00 0.00 174.94 173.03 3i1i s PRO 23 N -2.33 2.72 0.02 0.37 0.02 -1.24 -0.63 135.00 133.94 3i1i s PRO 23 Ca -0.07 1.79 0.00 0.00 0.02 0.00 0.00 61.00 62.74 3i1i s PRO 23 Cb -0.02 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 32.58 3i1i s PRO 23 CO -0.02 -1.39 -0.03 0.08 -0.33 0.00 0.00 177.00 175.30 3i1i s VAL 24 N -1.74 0.16 0.10 3.83 1.01 -0.73 -4.88 120.40 118.15 3i1i s VAL 24 Ca 0.76 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.08 3i1i s VAL 24 Cb -0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 3i1i s VAL 24 CO 0.37 -0.33 0.02 0.00 0.00 0.00 0.00 175.10 175.16 3i1i n GLN 25 N 2.02 1.22 -4.27 2.72 10.64 -1.26 -1.14 117.38 127.31 3i1i n GLN 25 Ca -0.20 -0.79 -0.23 0.00 -1.83 0.00 0.00 57.00 53.95 3i1i n GLN 25 Cb 0.56 0.34 -0.12 0.00 -0.86 0.00 0.00 30.24 30.15 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 -1.58 1.20 0.20 2.61 0.00 0.13 -3.53 107.32 106.36 3i1i s GLY 27 Ca 0.03 -1.22 -0.15 0.00 0.00 0.00 0.00 44.72 43.37 3i1i s GLY 27 CO 0.02 -1.23 0.49 -2.52 0.00 0.00 0.00 173.10 169.86 3i1i s TYR 28 N -1.17 0.05 0.08 1.90 -0.85 -0.72 -0.82 117.35 115.82 3i1i s TYR 28 Ca 0.06 -0.41 -0.08 0.00 -0.52 0.00 0.00 57.07 56.11 3i1i s TYR 28 Cb -0.10 0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.54 3i1i s TYR 28 CO 0.04 -0.92 0.17 -1.83 -1.52 0.00 0.00 175.55 171.50 3i1i s GLU 29 N -3.92 0.80 0.06 -3.49 -1.05 -0.07 -0.67 118.70 110.36 3i1i s GLU 29 Ca 0.13 -0.92 0.04 0.00 -0.15 0.00 0.00 54.97 54.07 3i1i s GLU 29 Cb -0.01 0.32 -0.03 0.00 -0.44 0.00 0.00 34.13 33.98 3i1i s GLU 29 CO 0.00 -0.24 -0.11 0.95 0.95 0.00 0.00 175.26 176.80 3i1i s THR 30 N -3.65 0.87 0.06 1.83 -4.23 -1.26 -1.11 115.64 108.16 3i1i s THR 30 Ca 0.03 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.36 3i1i s THR 30 Cb 0.04 -0.89 -0.03 0.00 1.34 0.00 0.00 72.50 72.96 3i1i s THR 30 CO -0.10 -0.30 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.26 3i1i s TYR 31 N -1.35 0.97 0.00 3.99 2.02 0.71 -4.84 117.35 118.85 3i1i s TYR 31 Ca -0.05 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.16 3i1i s TYR 31 Cb -0.10 -0.55 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 3i1i s TYR 31 CO 0.01 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.40 3i1i n GLY 32 N 1.32 -1.30 2.89 0.71 0.00 -1.26 -0.11 105.19 107.45 3i1i n GLY 32 Ca -0.22 -1.27 -0.19 0.00 0.00 0.00 0.00 46.02 44.34 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 0.48 -0.08 2.61 2.01 -1.25 -4.86 115.64 114.55 3i1i s THR 33 Ca 0.00 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.60 3i1i s THR 33 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3i1i s THR 33 CO 0.00 0.20 1.49 -0.22 -0.69 0.00 0.00 174.62 175.41 3i1i s LEU 34 N 0.82 4.28 0.92 4.42 2.96 -1.26 -4.09 118.68 126.72 3i1i s LEU 34 Ca -0.11 2.05 -0.12 0.00 -0.22 0.00 0.00 54.13 55.73 3i1i s LEU 34 Cb -0.13 -3.54 0.14 0.00 0.50 0.00 0.00 46.19 43.16 3i1i s LEU 34 CO 0.00 -0.84 1.13 0.54 -1.32 0.00 0.00 176.35 175.86 3i1i s ASN 35 N 2.67 3.45 0.18 3.68 2.20 -1.26 -4.92 114.94 120.94 3i1i s ASN 35 Ca 0.66 1.02 -0.14 0.00 -0.94 0.00 0.00 52.86 53.47 3i1i s ASN 35 Cb -0.29 -1.63 0.12 0.00 -2.00 0.00 0.00 41.25 37.45 3i1i s ASN 35 CO 0.24 -2.59 1.79 0.08 -2.94 0.00 0.00 177.10 173.68 3i1i h ARG 36 N -1.53 0.48 -0.14 3.55 0.11 -2.04 -1.69 114.38 113.12 3i1i h ARG 36 Ca -0.51 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.54 3i1i h ARG 36 Cb 1.33 -0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3i1i h ARG 36 CO 0.61 0.32 0.00 -0.85 0.10 0.00 0.00 179.97 180.15 3i1i n GLU 37 N -4.88 1.70 -3.65 0.08 0.00 -1.26 -4.95 120.64 107.69 3i1i n GLU 37 Ca 0.04 -1.05 -0.22 0.00 0.00 0.00 0.00 57.16 55.92 3i1i n GLU 37 Cb 0.12 -1.40 0.06 0.00 0.00 0.00 0.00 31.44 30.21 3i1i n GLU 37 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 3i1i n ARG 38 N 0.28 -6.18 -0.05 3.44 1.74 -0.64 -4.89 116.66 110.35 3i1i n ARG 38 Ca 0.16 0.72 0.02 0.00 -0.77 0.00 0.00 57.85 57.99 3i1i n ARG 38 Cb 0.33 -5.59 0.05 0.00 -1.02 0.00 0.00 32.46 26.23 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 -3.03 2.05 -1.37 0.55 3.41 -1.26 -4.63 113.62 109.35 3i1i n SER 39 Ca -0.16 -1.72 -0.09 0.00 -0.26 0.00 0.00 58.87 56.64 3i1i n SER 39 Cb 0.62 -0.07 0.18 0.00 -0.26 0.00 0.00 64.21 64.68 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 0.06 3.02 -4.71 4.04 6.94 -1.26 -4.60 115.26 118.75 3i1i n ASN 40 Ca 0.04 -3.79 -0.38 0.00 -0.02 0.00 0.00 54.58 50.43 3i1i n ASN 40 Cb 0.25 -0.64 -0.06 0.00 -2.36 0.00 0.00 39.78 36.97 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 -3.48 5.17 -0.13 3.53 1.01 -1.26 -0.66 120.40 124.58 3i1i s VAL 41 Ca 0.47 0.96 0.03 0.00 0.00 0.00 0.00 61.98 63.44 3i1i s VAL 41 Cb 0.42 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.98 3i1i s VAL 41 CO 0.00 0.30 -0.22 -0.63 0.00 0.00 0.00 175.10 174.55 3i1i s ILE 42 N 0.79 2.06 -0.22 2.22 1.01 -0.18 -0.22 121.20 126.65 3i1i s ILE 42 Ca 0.26 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.85 3i1i s ILE 42 Cb -0.15 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 3i1i s ILE 42 CO 0.10 0.55 0.07 -0.22 0.00 0.00 0.00 174.94 175.45 3i1i s LEU 43 N 0.74 3.61 -0.17 2.97 2.96 -0.35 -1.43 118.68 127.01 3i1i s LEU 43 Ca -0.09 -0.09 -0.07 0.00 -0.22 0.00 0.00 54.13 53.67 3i1i s LEU 43 Cb -0.16 -1.95 -0.04 0.00 0.50 0.00 0.00 46.19 44.55 3i1i s LEU 43 CO -0.00 0.05 0.04 -0.63 -1.32 0.00 0.00 176.35 174.49 3i1i s ILE 44 N 1.13 4.64 -0.08 6.68 -1.09 -0.04 -4.25 121.20 128.19 3i1i s ILE 44 Ca 0.04 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.39 3i1i s ILE 44 Cb -0.14 -3.08 -0.03 0.00 -1.58 0.00 0.00 42.46 37.63 3i1i s ILE 44 CO 0.03 0.47 -0.10 0.00 -1.23 0.00 0.00 174.94 174.12 3i1i s HIS 46 N -0.44 3.50 0.77 0.00 -3.43 -1.26 -4.10 115.29 110.33 3i1i s HIS 46 Ca 0.06 0.47 -0.06 0.00 -0.80 0.00 0.00 55.06 54.73 3i1i s HIS 46 Cb -0.12 -1.98 0.13 0.00 -1.43 0.00 0.00 32.58 29.17 3i1i s HIS 46 CO 0.02 0.12 1.07 1.52 -2.00 0.00 0.00 174.74 175.47 3i1i s TYR 47 N -2.26 1.92 0.05 0.38 -0.85 -1.26 -3.12 117.35 112.21 3i1i s TYR 47 Ca 0.42 0.03 -0.10 0.00 -0.52 0.00 0.00 57.07 56.89 3i1i s TYR 47 Cb -0.10 -3.31 -0.02 0.00 0.38 0.00 0.00 41.96 38.91 3i1i s TYR 47 CO 0.35 -1.85 0.80 0.34 -1.52 0.00 0.00 175.55 173.66 3i1i n PHE 48 N -3.07 -0.15 0.18 -3.49 7.35 -1.26 -1.76 117.46 115.27 3i1i n PHE 48 Ca 0.13 0.41 0.11 0.00 -0.76 0.00 0.00 57.45 57.35 3i1i n PHE 48 Cb 0.60 -0.44 0.22 0.00 0.35 0.00 0.00 39.48 40.21 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 -3.77 3.45 -1.95 -2.13 3.41 -1.26 -4.67 113.62 106.71 3i1i n SER 49 Ca 0.01 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.64 3i1i n SER 49 Cb 0.09 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 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 1.43 0.00 -3.67 7.33 0.00 -0.72 -4.76 120.51 120.12 3i1i n ALA 50 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.53 3i1i n ALA 50 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.78 0.00 0.17 0.00 -2.24 -1.26 -4.78 114.28 105.39 3i1i n THR 51 Ca 0.00 -1.21 0.04 0.00 -2.27 0.00 0.00 64.05 60.61 3i1i n THR 51 Cb 0.00 0.68 0.20 0.00 -2.10 0.00 0.00 70.33 69.12 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 -1.98 0.14 -3.61 3.42 3.41 -1.25 -4.37 113.62 109.39 3i1i n SER 52 Ca 0.02 0.56 -0.41 0.00 -0.26 0.00 0.00 58.87 58.78 3i1i n SER 52 Cb 0.35 -0.58 -0.02 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.68 2.71 0.17 7.33 -0.00 -1.26 -4.57 115.22 117.92 3i1i n HIS 53 Ca 0.01 -2.53 0.03 0.00 -0.00 0.00 0.00 57.72 55.23 3i1i n HIS 53 Cb 0.06 -2.20 0.28 0.00 -0.00 0.00 0.00 29.99 28.13 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 6.54 1.00 -2.72 1.57 0.00 -1.89 0.01 119.26 123.76 3i1i h ALA 54 Ca 0.55 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i1i h ALA 54 Cb 0.57 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.16 3i1i h ALA 54 CO 1.87 0.57 -0.12 0.00 0.00 0.00 0.00 179.25 181.57 3i1i s ALA 55 N -3.62 -0.79 0.00 0.00 0.00 -1.26 0.11 121.76 116.20 3i1i s ALA 55 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.79 3i1i s ALA 55 Cb 0.12 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.91 3i1i s ALA 55 CO 0.71 -0.63 0.00 0.41 0.00 0.00 0.00 175.76 176.25 3i1i n GLY 56 N -0.20 -0.72 2.94 0.00 0.00 -1.26 -4.26 105.19 101.69 3i1i n GLY 56 Ca -0.15 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 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 0.22 0.03 1.61 1.02 -1.26 -1.51 119.74 119.85 3i1i s LYS 57 Ca 0.00 -0.38 -0.10 0.00 0.02 0.00 0.00 55.97 55.51 3i1i s LYS 57 Cb 0.00 0.02 -0.32 0.00 -0.52 0.00 0.00 37.83 37.01 3i1i s LYS 57 CO 0.00 -0.02 0.98 1.88 -0.92 0.00 0.00 175.35 177.28 3i1i h TYR 58 N 5.25 0.73 -3.15 3.18 0.05 -1.91 -0.89 116.97 120.23 3i1i h TYR 58 Ca -0.29 -0.53 -0.46 0.00 0.05 0.00 0.00 58.73 57.50 3i1i h TYR 58 Cb 1.21 -0.03 -0.16 0.00 1.01 0.00 0.00 36.73 38.76 3i1i h TYR 58 CO 0.56 1.47 -0.75 0.95 -1.05 0.00 0.00 178.16 179.33 3i1i s THR 59 N -2.62 1.65 0.54 -2.88 -4.23 -1.26 -4.60 115.64 102.24 3i1i s THR 59 Ca -0.08 -2.03 0.37 0.00 -1.18 0.00 0.00 61.69 58.77 3i1i s THR 59 Cb 0.06 -1.88 0.40 0.00 1.34 0.00 0.00 72.50 72.41 3i1i s THR 59 CO 0.90 -0.49 2.25 0.00 -0.54 0.00 0.00 174.62 176.74 3i1i h ALA 60 N 2.94 1.16 -0.62 3.99 0.00 -2.02 -2.32 119.26 122.38 3i1i h ALA 60 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i1i h ALA 60 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3i1i h ALA 60 CO 0.57 0.03 0.00 -2.39 0.00 0.00 0.00 179.25 177.45 3i1i n HIS 61 N -3.34 1.34 -1.78 0.00 1.44 -1.26 -4.97 115.22 106.65 3i1i n HIS 61 Ca -0.02 -0.55 -0.41 0.00 -2.01 0.00 0.00 57.72 54.73 3i1i n HIS 61 Cb 0.13 -0.20 -0.01 0.00 0.12 0.00 0.00 29.99 30.03 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 -0.88 6.37 0.12 4.39 1.01 -0.88 -4.89 116.67 121.91 3i1i s ASP 62 Ca 0.48 2.96 -0.14 0.00 0.71 0.00 0.00 52.55 56.56 3i1i s ASP 62 Cb 0.30 -2.64 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 3i1i s ASP 62 CO 0.24 -0.91 1.54 -0.08 0.21 0.00 0.00 175.17 176.17 3i1i h GLU 63 N 4.63 0.75 -6.12 8.23 4.57 -1.93 -3.45 114.58 121.26 3i1i h GLU 63 Ca -0.47 -0.28 -0.60 0.00 -1.18 0.00 0.00 59.36 56.83 3i1i h GLU 63 Cb 1.22 -0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 29.64 3i1i h GLU 63 CO 0.78 0.87 -0.70 -1.21 -1.18 0.00 0.00 179.01 177.57 3i1i s GLU 64 N -4.83 1.86 0.58 1.92 2.02 -1.26 -5.15 118.70 113.84 3i1i s GLU 64 Ca -0.13 -1.76 0.02 0.00 0.02 0.00 0.00 54.97 53.13 3i1i s GLU 64 Cb 0.10 -1.83 0.06 0.00 0.10 0.00 0.00 34.13 32.55 3i1i s GLU 64 CO 0.81 0.26 0.82 -1.12 0.02 0.00 0.00 175.26 176.05 3i1i s SER 65 N -3.59 5.07 0.86 -0.19 0.01 -1.26 -4.82 113.70 109.78 3i1i s SER 65 Ca 0.31 -0.17 -0.10 0.00 1.31 0.00 0.00 55.95 57.30 3i1i s SER 65 Cb -0.03 -0.59 0.11 0.00 0.21 0.00 0.00 66.02 65.73 3i1i s SER 65 CO 0.17 -1.30 1.12 -0.83 0.41 0.00 0.00 173.24 172.80 3i1i s GLY 66 N -4.51 1.67 0.39 3.44 0.00 -0.57 -4.90 107.32 102.85 3i1i s GLY 66 Ca 0.60 0.40 0.28 0.00 0.00 0.00 0.00 44.72 46.00 3i1i s GLY 66 CO 0.39 0.81 1.84 0.11 0.00 0.00 0.00 173.10 176.26 3i1i h TRP 67 N -1.58 0.00 -0.14 1.90 5.08 -0.83 -1.65 115.95 118.74 3i1i h TRP 67 Ca -0.44 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 59.43 3i1i h TRP 67 Cb 1.26 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 27.33 3i1i h TRP 67 CO 0.52 0.00 -0.57 0.91 -1.28 0.00 0.00 178.44 178.02 3i1i n TRP 68 N -2.56 0.50 0.16 0.12 7.02 0.31 -4.87 117.44 118.12 3i1i n TRP 68 Ca 0.01 -1.62 0.11 0.00 -1.02 0.00 0.00 57.50 54.98 3i1i n TRP 68 Cb 0.20 -0.26 0.64 0.00 -2.42 0.00 0.00 31.31 29.47 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 1.22 0.04 0.26 -0.99 3.58 -0.72 -0.93 116.42 118.87 3i1i h ASP 69 Ca 0.06 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.47 3i1i h ASP 69 Cb 1.11 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.15 3i1i h ASP 69 CO 0.14 0.03 -0.20 1.23 -2.88 0.00 0.00 179.24 177.56 3i1i h GLY 70 N 0.05 0.00 0.96 -0.78 0.00 -1.89 -3.11 103.07 98.30 3i1i h GLY 70 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.28 3i1i h GLY 70 CO -0.01 0.00 -1.35 1.04 0.00 0.00 0.00 176.54 176.22 3i1i n LEU 71 N -4.11 0.83 -4.27 3.11 4.77 -0.38 -4.69 117.00 112.26 3i1i n LEU 71 Ca -0.02 0.36 -0.33 0.00 -0.03 0.00 0.00 56.01 55.99 3i1i n LEU 71 Cb 0.27 0.05 -0.15 0.00 -2.33 0.00 0.00 43.42 41.25 3i1i n LEU 71 CO 0.35 0.08 -0.49 -0.63 -1.33 0.00 0.00 177.39 175.36 3i1i s ILE 72 N -3.02 2.59 0.00 -0.08 1.01 -1.09 -0.39 121.20 120.22 3i1i s ILE 72 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.81 3i1i s ILE 72 Cb 0.09 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.49 3i1i s ILE 72 CO 0.81 0.53 0.00 0.61 0.00 0.00 0.00 174.94 176.89 3i1i n GLY 73 N 3.82 1.32 3.69 6.18 0.00 -1.08 -4.75 105.19 114.36 3i1i n GLY 73 Ca -0.19 -1.71 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 3i1i n GLY 73 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i1i s PRO 74 N -1.52 4.19 0.00 1.61 0.02 -1.26 -1.88 135.00 136.15 3i1i s PRO 74 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 61.00 63.39 3i1i s PRO 74 Cb 0.00 -3.66 0.00 0.00 0.02 0.00 0.00 34.50 30.86 3i1i s PRO 74 CO 0.00 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.31 3i1i n GLY 75 N 4.07 0.46 3.66 0.52 0.00 -1.26 -4.94 105.19 107.70 3i1i n GLY 75 Ca 0.16 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.78 -0.24 -0.29 1.61 5.02 -0.79 -4.96 118.16 116.73 3i1i n LYS 76 Ca 0.00 -2.47 0.09 0.00 -2.02 0.00 0.00 58.31 53.91 3i1i n LYS 76 Cb 0.10 -0.72 0.32 0.00 -0.02 0.00 0.00 35.03 34.70 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 -0.78 1.69 -2.88 7.82 0.00 -1.82 -2.75 119.26 120.54 3i1i h ALA 77 Ca -0.33 0.01 -0.73 0.00 0.00 0.00 0.00 54.91 53.87 3i1i h ALA 77 Cb 1.15 -0.17 -0.33 0.00 0.00 0.00 0.00 17.79 18.43 3i1i h ALA 77 CO 0.33 0.09 -0.05 0.42 0.00 0.00 0.00 179.25 180.04 3i1i s ILE 78 N -5.79 4.63 -0.44 0.00 1.01 0.48 -4.33 121.20 116.76 3i1i s ILE 78 Ca -0.11 -3.39 -0.29 0.00 0.00 0.00 0.00 60.65 56.86 3i1i s ILE 78 Cb 0.22 -3.88 0.01 0.00 0.01 0.00 0.00 42.46 38.82 3i1i s ILE 78 CO 0.79 -1.04 1.36 -0.62 0.00 0.00 0.00 174.94 175.43 3i1i s ASP 79 N 0.59 6.37 0.00 3.58 -1.08 -1.04 -2.65 116.67 122.44 3i1i s ASP 79 Ca 0.24 0.71 0.15 0.00 -0.52 0.00 0.00 52.55 53.14 3i1i s ASP 79 Cb -0.11 -2.54 0.68 0.00 -1.46 0.00 0.00 42.92 39.49 3i1i s ASP 79 CO -0.09 -1.43 1.48 0.35 0.52 0.00 0.00 175.17 176.00 3i1i n THR 80 N 7.03 0.87 0.24 1.71 -2.24 -1.04 -0.80 114.28 120.05 3i1i n THR 80 Ca 0.15 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.28 3i1i n THR 80 Cb 0.48 -0.95 0.54 0.00 -2.10 0.00 0.00 70.33 68.30 3i1i n THR 80 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3i1i h ASN 81 N 0.00 0.00 0.00 3.42 2.35 -1.90 -3.38 115.58 116.07 3i1i h ASN 81 Ca 0.00 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.57 3i1i h ASN 81 Cb 0.24 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3i1i h ASN 81 CO 0.00 0.13 -1.70 0.00 -1.65 0.00 0.00 177.43 174.21 3i1i n GLN 82 N -3.27 0.31 -4.04 0.81 6.02 -0.58 -4.96 117.38 111.67 3i1i n GLN 82 Ca 0.00 0.07 -0.27 0.00 -0.01 0.00 0.00 57.00 56.80 3i1i n GLN 82 Cb 0.38 -1.24 -0.05 0.00 1.02 0.00 0.00 30.24 30.35 3i1i n GLN 82 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3i1i s TYR 83 N -2.25 3.26 -0.29 1.08 2.02 0.02 -4.88 117.35 116.31 3i1i s TYR 83 Ca -0.17 0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.46 3i1i s TYR 83 Cb 0.04 -1.57 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3i1i s TYR 83 CO 0.28 0.52 0.18 0.12 -1.57 0.00 0.00 175.55 175.08 3i1i s PHE 84 N -1.72 3.20 -0.15 2.71 5.36 0.17 -3.83 117.98 123.71 3i1i s PHE 84 Ca 0.32 -0.12 -0.01 0.00 -0.96 0.00 0.00 56.93 56.17 3i1i s PHE 84 Cb -0.11 -2.37 -0.01 0.00 -0.34 0.00 0.00 43.02 40.19 3i1i s PHE 84 CO 0.25 -0.27 -0.12 0.08 -1.46 0.00 0.00 175.22 173.70 3i1i s VAL 85 N 1.71 3.02 0.02 3.12 1.01 0.85 -1.01 120.40 129.12 3i1i s VAL 85 Ca 0.06 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.46 3i1i s VAL 85 Cb -0.16 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 33.90 3i1i s VAL 85 CO 0.09 0.51 -0.21 -0.63 0.00 0.00 0.00 175.10 174.86 3i1i s ILE 86 N 0.58 2.51 -0.04 2.22 1.01 -0.51 -0.21 121.20 126.76 3i1i s ILE 86 Ca -0.08 -1.16 -0.05 0.00 0.00 0.00 0.00 60.65 59.36 3i1i s ILE 86 Cb -0.16 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.33 3i1i s ILE 86 CO 0.03 0.43 0.13 0.00 0.00 0.00 0.00 174.94 175.54 3i1i s THR 88 N -0.28 1.63 -0.01 0.00 -4.23 -1.26 -0.90 115.64 110.60 3i1i s THR 88 Ca -0.04 -1.94 -0.30 0.00 -1.18 0.00 0.00 61.69 58.23 3i1i s THR 88 Cb -0.03 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.97 3i1i s THR 88 CO 0.00 -0.44 1.11 -1.81 -0.54 0.00 0.00 174.62 172.95 3i1i s ASP 89 N -2.80 7.17 0.58 3.99 1.01 0.00 -3.92 116.67 122.71 3i1i s ASP 89 Ca 0.16 1.80 -0.20 0.00 0.71 0.00 0.00 52.55 55.02 3i1i s ASP 89 Cb -0.04 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.29 3i1i s ASP 89 CO 0.05 -0.44 1.26 0.20 0.21 0.00 0.00 175.17 176.46 3i1i s ASN 90 N 1.16 5.14 0.28 0.27 0.01 -1.26 -4.62 114.94 115.92 3i1i s ASN 90 Ca 0.55 2.54 -0.28 0.00 -0.71 0.00 0.00 52.86 54.95 3i1i s ASN 90 Cb -0.24 -2.61 -0.14 0.00 0.41 0.00 0.00 41.25 38.66 3i1i s ASN 90 CO 0.25 -1.64 1.01 -0.11 -1.51 0.00 0.00 177.10 175.10 3i1i n LEU 91 N -1.44 1.72 -2.60 0.60 7.94 -1.26 -2.03 117.00 119.93 3i1i n LEU 91 Ca 0.13 1.18 -0.18 0.00 -1.11 0.00 0.00 56.01 56.02 3i1i n LEU 91 Cb 0.48 -1.28 -0.00 0.00 0.53 0.00 0.00 43.42 43.15 3i1i n LEU 91 CO 0.47 -1.42 -0.17 0.00 -1.11 0.00 0.00 177.39 175.17 3i1i n ASN 93 N -2.05 1.18 0.18 0.00 2.85 -0.86 -4.67 115.26 111.89 3i1i n ASN 93 Ca -0.17 1.14 0.13 0.00 -0.11 0.00 0.00 54.58 55.57 3i1i n ASN 93 Cb 0.64 -1.17 0.37 0.00 1.24 0.00 0.00 39.78 40.85 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 2.80 0.00 -1.45 3.44 -1.51 -1.86 -3.33 116.25 114.34 3i1i h VAL 94 Ca -0.44 -0.66 -0.76 0.00 -1.23 0.00 0.00 66.70 63.61 3i1i h VAL 94 Cb 1.35 1.62 -0.16 0.00 -2.13 0.00 0.00 31.29 31.97 3i1i h VAL 94 CO 0.71 0.00 2.02 0.00 -1.23 0.00 0.00 177.57 179.07 3i1i n GLN 95 N -2.70 4.80 0.26 5.19 1.13 -1.26 -1.01 117.38 123.79 3i1i n GLN 95 Ca 0.04 -3.77 0.14 0.00 -1.94 0.00 0.00 57.00 51.46 3i1i n GLN 95 Cb 0.43 -2.58 0.71 0.00 0.11 0.00 0.00 30.24 28.91 3i1i n GLN 95 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 3i1i h VAL 96 N 2.48 0.41 -0.01 5.09 -1.51 -1.66 -1.53 116.25 119.53 3i1i h VAL 96 Ca 0.66 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 65.52 3i1i h VAL 96 Cb 0.31 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 30.90 3i1i h VAL 96 CO 1.39 0.11 -0.24 0.29 -1.23 0.00 0.00 177.57 177.89 3i1i n LYS 97 N -3.43 0.90 -1.81 5.19 5.02 -0.94 -4.82 118.16 118.27 3i1i n LYS 97 Ca -0.01 -0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 55.32 3i1i n LYS 97 Cb 0.28 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.77 3i1i n LYS 97 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i1i s ASN 98 N -2.47 6.52 0.66 4.39 3.84 -0.58 -4.89 114.94 122.42 3i1i s ASN 98 Ca 0.25 2.47 0.36 0.00 0.21 0.00 0.00 52.86 56.15 3i1i s ASN 98 Cb 0.19 -2.53 1.99 0.00 -0.55 0.00 0.00 41.25 40.35 3i1i s ASN 98 CO 0.51 -1.02 2.14 1.55 -2.79 0.00 0.00 177.10 177.48 3i1i h PRO 99 N 10.25 0.00 -0.01 0.43 0.13 -1.88 -2.05 132.00 138.86 3i1i h PRO 99 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3i1i h PRO 99 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3i1i h PRO 99 CO 0.95 0.00 -0.34 0.72 -0.23 0.00 0.00 178.00 179.09 3i1i n HIS 100 N -3.06 0.00 -3.08 1.56 8.25 -1.26 -4.94 115.22 112.69 3i1i n HIS 100 Ca -0.02 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.05 3i1i n HIS 100 Cb 0.24 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.22 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 -2.50 4.83 -0.23 1.59 1.01 -0.77 -5.01 120.40 119.31 3i1i s VAL 101 Ca 0.22 1.45 0.01 0.00 0.00 0.00 0.00 61.98 63.66 3i1i s VAL 101 Cb 0.19 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.59 3i1i s VAL 101 CO 0.54 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 175.33 3i1i s ILE 102 N -0.05 1.57 0.16 2.22 1.01 -1.26 -4.98 121.20 119.86 3i1i s ILE 102 Ca 0.35 -1.21 -0.07 0.00 0.00 0.00 0.00 60.65 59.72 3i1i s ILE 102 Cb -0.19 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.46 3i1i s ILE 102 CO 0.20 -0.06 0.24 0.28 0.00 0.00 0.00 174.94 175.60 3i1i s THR 103 N 1.38 0.07 -0.07 2.92 -1.32 -1.26 -0.69 115.64 116.67 3i1i s THR 103 Ca -0.05 -1.48 0.04 0.00 -1.21 0.00 0.00 61.69 58.98 3i1i s THR 103 Cb -0.19 -1.87 -0.02 0.00 -1.51 0.00 0.00 72.50 68.91 3i1i s THR 103 CO -0.06 -0.33 -0.18 -0.89 -2.21 0.00 0.00 174.62 170.94 3i1i s THR 104 N -3.98 2.68 0.00 5.08 2.01 -1.23 -4.82 115.64 115.37 3i1i s THR 104 Ca 0.18 -0.84 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3i1i s THR 104 Cb 0.04 -2.04 0.00 0.00 0.01 0.00 0.00 72.50 70.51 3i1i s THR 104 CO 0.00 0.57 0.00 0.61 -0.69 0.00 0.00 174.62 175.11 3i1i n GLY 105 N 2.79 1.00 0.20 4.40 0.00 -1.26 -0.85 105.19 111.48 3i1i n GLY 105 Ca -0.17 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.10 132.00 131.70 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 0.00 -0.32 1.63 -0.21 0.00 0.00 178.00 179.10 3i1i n LYS 107 N -2.55 0.47 -2.21 1.05 4.76 -1.26 -0.61 118.16 117.81 3i1i n LYS 107 Ca -0.00 -0.26 -0.38 0.00 -2.87 0.00 0.00 58.31 54.80 3i1i n LYS 107 Cb 0.16 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.85 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 -2.71 6.33 0.14 4.39 0.01 -0.05 -4.80 113.70 117.02 3i1i s SER 108 Ca 0.19 2.42 -0.30 0.00 1.31 0.00 0.00 55.95 59.57 3i1i s SER 108 Cb 0.19 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.73 3i1i s SER 108 CO 0.58 -0.81 1.21 -0.63 0.41 0.00 0.00 173.24 174.00 3i1i s ILE 109 N -1.41 3.71 -0.41 1.44 -1.09 -1.26 -1.60 121.20 120.57 3i1i s ILE 109 Ca 0.59 1.35 -0.28 0.00 -2.23 0.00 0.00 60.65 60.08 3i1i s ILE 109 Cb -0.32 -3.86 0.02 0.00 -1.58 0.00 0.00 42.46 36.72 3i1i s ILE 109 CO 0.40 0.17 1.06 0.21 -1.23 0.00 0.00 174.94 175.55 3i1i s ASN 110 N 0.48 6.71 0.54 3.58 3.04 0.11 -4.88 114.94 124.53 3i1i s ASN 110 Ca 0.55 0.62 0.23 0.00 0.04 0.00 0.00 52.86 54.31 3i1i s ASN 110 Cb -0.32 -2.52 1.48 0.00 -1.54 0.00 0.00 41.25 38.35 3i1i s ASN 110 CO 0.34 -1.06 2.15 1.55 -3.04 0.00 0.00 177.10 177.04 3i1i h PRO 111 N 8.75 0.00 0.00 0.43 0.13 -1.95 0.04 132.00 139.41 3i1i h PRO 111 Ca -0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.90 3i1i h PRO 111 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3i1i h PRO 111 CO 1.06 0.06 -0.04 0.87 -0.23 0.00 0.00 178.00 179.73 3i1i h LYS 112 N 0.00 0.00 0.00 0.86 1.57 -1.96 -3.37 116.57 113.67 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 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3i1i h LYS 112 CO 0.01 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.17 3i1i n THR 113 N -3.23 0.00 -0.90 -0.16 -2.24 -0.45 -5.03 114.28 102.27 3i1i n THR 113 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3i1i n THR 113 Cb 0.22 1.03 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.34 0.55 3.46 3.38 0.00 -0.12 -5.02 105.19 107.78 3i1i n GLY 114 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.42 3.43 0.33 1.61 1.01 -1.25 -4.84 116.67 114.53 3i1i s ASP 115 Ca 0.00 -1.05 -0.28 0.00 0.71 0.00 0.00 52.55 51.93 3i1i s ASP 115 Cb 0.00 -0.28 -0.13 0.00 1.01 0.00 0.00 42.92 43.53 3i1i s ASP 115 CO 0.00 -0.03 1.21 -0.62 0.21 0.00 0.00 175.17 175.94 3i1i n GLU 116 N -0.60 1.91 -0.27 8.23 1.02 -1.26 0.09 120.64 129.76 3i1i n GLU 116 Ca -0.05 0.67 -0.05 0.00 -0.02 0.00 0.00 57.16 57.71 3i1i n GLU 116 Cb 0.61 -2.19 0.06 0.00 -0.02 0.00 0.00 31.44 29.89 3i1i n GLU 116 CO 0.00 0.00 0.00 1.88 1.18 0.00 0.00 177.13 180.19 3i1i h TYR 117 N 2.38 0.94 0.00 -0.32 0.05 -1.25 -3.44 116.97 115.32 3i1i h TYR 117 Ca -0.44 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.35 3i1i h TYR 117 Cb 1.30 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 38.72 3i1i h TYR 117 CO 0.50 0.61 0.00 0.00 -1.05 0.00 0.00 178.16 178.22 3i1i n ALA 118 N -2.31 0.00 0.00 3.88 0.00 0.22 -3.74 120.51 118.55 3i1i n ALA 118 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3i1i n ALA 118 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 -4.76 0.00 2.03 -1.26 -4.65 116.55 107.91 3i1i n ASP 120 Ca 0.00 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 54.93 3i1i n ASP 120 Cb 0.00 0.00 0.02 0.00 -0.72 0.00 0.00 41.12 40.42 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 2.57 0.48 -0.67 5.36 -1.25 -4.97 117.98 119.51 3i1i s PHE 121 Ca 0.00 1.46 -0.21 0.00 -0.96 0.00 0.00 56.93 57.21 3i1i s PHE 121 Cb 0.00 -3.59 -0.08 0.00 -0.34 0.00 0.00 43.02 39.01 3i1i s PHE 121 CO 0.00 -2.21 1.07 -1.25 -1.46 0.00 0.00 175.22 171.38 3i1i s PRO 122 N -2.81 3.79 0.27 10.12 0.04 -1.26 -5.00 135.00 140.15 3i1i s PRO 122 Ca 0.68 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 3i1i s PRO 122 Cb -0.34 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 3i1i s PRO 122 CO 0.41 -0.46 1.42 0.08 0.04 0.00 0.00 177.00 178.49 3i1i s VAL 123 N -1.83 2.64 0.16 -0.36 1.01 -1.26 -5.02 120.40 115.74 3i1i s VAL 123 Ca 0.66 0.56 0.09 0.00 0.00 0.00 0.00 61.98 63.29 3i1i s VAL 123 Cb -0.20 -3.36 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 3i1i s VAL 123 CO 0.24 0.10 -0.21 0.72 0.00 0.00 0.00 175.10 175.95 3i1i s PHE 124 N -0.26 1.97 0.37 5.22 -0.12 -1.26 -4.73 117.98 119.17 3i1i s PHE 124 Ca 0.57 -0.42 0.08 0.00 -0.05 0.00 0.00 56.93 57.10 3i1i s PHE 124 Cb -0.42 -1.01 -0.07 0.00 -0.63 0.00 0.00 43.02 40.90 3i1i s PHE 124 CO 0.46 0.35 -0.03 0.95 -0.05 0.00 0.00 175.22 176.90 3i1i s THR 125 N -1.70 2.01 -0.38 -4.49 -4.23 -1.26 -4.10 115.64 101.48 3i1i s THR 125 Ca 0.15 -2.09 0.24 0.00 -1.18 0.00 0.00 61.69 58.82 3i1i s THR 125 Cb -0.07 -2.81 0.26 0.00 1.34 0.00 0.00 72.50 71.21 3i1i s THR 125 CO 0.07 -0.10 1.74 -0.26 -0.54 0.00 0.00 174.62 175.53 3i1i h PHE 126 N 1.93 0.00 -0.54 3.99 0.04 -1.97 0.34 116.94 120.73 3i1i h PHE 126 Ca -0.43 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.30 3i1i h PHE 126 Cb 1.24 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.37 3i1i h PHE 126 CO 0.73 0.00 0.17 1.25 -0.60 0.00 0.00 178.31 179.87 3i1i h LEU 127 N 0.00 0.78 -1.02 1.54 5.85 -1.96 -1.57 115.31 118.94 3i1i h LEU 127 Ca 0.00 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.60 3i1i h LEU 127 Cb 0.33 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3i1i h LEU 127 CO 0.00 0.77 0.64 0.44 -0.34 0.00 0.00 178.44 179.96 3i1i h ASP 128 N 0.74 1.00 -0.27 1.25 3.32 -1.32 -0.21 116.42 120.94 3i1i h ASP 128 Ca 0.17 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3i1i h ASP 128 Cb 0.27 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3i1i h ASP 128 CO -0.01 0.61 -0.03 0.58 -1.72 0.00 0.00 179.24 178.68 3i1i h VAL 129 N 1.12 1.27 -0.80 -1.35 2.07 -1.32 -2.98 116.25 114.28 3i1i h VAL 129 Ca 0.45 -1.00 0.06 0.00 0.82 0.00 0.00 66.70 67.03 3i1i h VAL 129 Cb 0.26 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.36 3i1i h VAL 129 CO -0.20 0.32 0.48 0.00 0.02 0.00 0.00 177.57 178.19 3i1i h ALA 130 N 0.80 1.09 0.00 1.67 0.00 -0.52 -0.55 119.26 121.74 3i1i h ALA 130 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i1i h ALA 130 Cb 0.48 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3i1i h ALA 130 CO 0.02 0.20 0.00 0.54 0.00 0.00 0.00 179.25 180.01 3i1i n ARG 131 N -4.67 0.36 0.00 0.00 1.74 -0.16 -1.25 116.66 112.67 3i1i n ARG 131 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3i1i n ARG 131 Cb 0.18 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 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 0.62 0.00 0.13 5.56 6.02 -0.22 -2.28 117.38 127.22 3i1i n GLN 133 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i1i n GLN 133 Cb 0.14 0.00 0.30 0.00 1.02 0.00 0.00 30.24 31.70 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 0.13 0.83 -0.44 0.00 4.39 -1.73 -1.06 114.58 116.69 3i1i h GLU 135 Ca 0.01 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 3i1i h GLU 135 Cb 0.69 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 3i1i h GLU 135 CO 0.05 0.75 -0.28 1.25 -1.16 0.00 0.00 179.01 179.62 3i1i h LEU 136 N 0.80 1.01 -0.44 1.33 7.12 -1.63 -1.27 115.31 122.24 3i1i h LEU 136 Ca 0.17 -0.41 -0.04 0.00 0.13 0.00 0.00 57.88 57.73 3i1i h LEU 136 Cb 0.30 -0.28 -0.02 0.00 -0.53 0.00 0.00 40.66 40.14 3i1i h LEU 136 CO -0.00 1.21 0.10 0.40 -0.13 0.00 0.00 178.44 180.02 3i1i h ILE 137 N 0.82 1.23 -0.27 4.05 1.08 -0.81 -2.93 117.51 120.69 3i1i h ILE 137 Ca 0.09 -0.82 -0.05 0.00 -0.39 0.00 0.00 64.86 63.69 3i1i h ILE 137 Cb 0.87 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.54 3i1i h ILE 137 CO 0.08 0.29 -0.05 0.11 -0.69 0.00 0.00 178.15 177.89 3i1i h LYS 138 N 0.57 0.50 -1.98 2.37 1.57 -1.22 -1.84 116.57 116.55 3i1i h LYS 138 Ca 0.14 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i1i h LYS 138 Cb 0.33 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3i1i h LYS 138 CO 0.00 0.70 0.00 -3.47 -0.57 0.00 0.00 179.45 176.12 3i1i n ASP 139 N -4.55 0.00 -1.30 0.86 2.03 -0.48 -4.06 116.55 109.05 3i1i n ASP 139 Ca -0.03 -0.71 0.01 0.00 0.52 0.00 0.00 54.79 54.57 3i1i n ASP 139 Cb 0.29 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.69 3i1i n ASP 139 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i1i n GLY 141 N 1.71 0.84 3.78 0.27 0.00 -1.16 -5.08 105.19 105.54 3i1i n GLY 141 Ca 0.00 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 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 5.10 -0.12 -0.61 1.01 -0.70 -4.99 121.20 120.89 3i1i s ILE 142 Ca 0.22 0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.97 3i1i s ILE 142 Cb 0.26 -3.23 -0.10 0.00 0.01 0.00 0.00 42.46 39.40 3i1i s ILE 142 CO -0.11 0.57 -0.07 0.00 0.00 0.00 0.00 174.94 175.33 3i1i n ALA 143 N 2.44 1.73 -2.62 9.38 0.00 -1.26 -4.18 120.51 126.00 3i1i n ALA 143 Ca -0.19 -0.59 -0.21 0.00 0.00 0.00 0.00 53.44 52.45 3i1i n ALA 143 Cb 0.54 0.15 -0.13 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.26 1.00 -0.13 0.00 0.52 -1.26 -4.91 118.95 111.92 3i1i s ARG 144 Ca -0.14 -0.91 -0.09 0.00 -0.52 0.00 0.00 55.73 54.06 3i1i s ARG 144 Cb 0.04 -1.08 -0.05 0.00 0.52 0.00 0.00 34.95 34.39 3i1i s ARG 144 CO 0.33 0.26 0.19 -0.51 0.02 0.00 0.00 175.30 175.59 3i1i s LEU 145 N -1.45 4.34 0.20 2.53 1.43 -1.26 -4.72 118.68 119.75 3i1i s LEU 145 Ca 0.02 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.56 3i1i s LEU 145 Cb -0.09 -2.18 0.15 0.00 0.03 0.00 0.00 46.19 44.10 3i1i s LEU 145 CO 0.02 0.31 1.60 -0.74 0.23 0.00 0.00 176.35 177.77 3i1i h HIS 146 N 5.53 0.90 -2.53 0.29 -0.00 -0.85 -2.21 115.15 116.27 3i1i h HIS 146 Ca -0.50 -0.22 -0.09 0.00 -0.00 0.00 0.00 60.37 59.56 3i1i h HIS 146 Cb 1.20 -0.21 -0.20 0.00 -0.00 0.00 0.00 27.41 28.21 3i1i h HIS 146 CO 0.69 0.96 -0.05 0.00 -0.00 0.00 0.00 177.93 179.53 3i1i s ALA 147 N -4.54 -1.26 0.19 5.26 0.00 -1.15 -2.84 121.76 117.41 3i1i s ALA 147 Ca -0.09 0.85 0.11 0.00 0.00 0.00 0.00 51.96 52.83 3i1i s ALA 147 Cb 0.13 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3i1i s ALA 147 CO 0.84 -0.31 -0.23 0.54 0.00 0.00 0.00 175.76 176.60 3i1i s VAL 148 N -1.17 2.42 0.00 0.00 0.11 0.14 -1.21 120.40 120.69 3i1i s VAL 148 Ca -0.12 -2.00 0.00 0.00 -2.93 0.00 0.00 61.98 56.93 3i1i s VAL 148 Cb -0.03 -2.16 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 3i1i s VAL 148 CO 0.07 -0.12 0.00 0.61 -3.33 0.00 0.00 175.10 172.33 3i1i n GLY 150 N 0.25 2.89 3.85 6.54 0.00 -1.05 -1.78 105.19 115.89 3i1i n GLY 150 Ca -0.12 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.07 3.80 5.90 1.61 0.04 -1.26 -1.81 135.00 141.21 3i1i s PRO 151 Ca 0.00 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.29 3i1i s PRO 151 Cb 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3i1i s PRO 151 CO 0.00 0.64 0.00 0.45 0.04 0.00 0.00 177.00 178.13 3i1i n SER 152 N 1.42 0.00 0.02 6.66 2.88 0.35 -0.10 113.62 124.85 3i1i n SER 152 Ca -0.12 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.57 3i1i n SER 152 Cb 0.53 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.59 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 -0.79 2.21 -0.45 -1.46 0.00 -1.86 0.11 119.26 117.03 3i1i h ALA 153 Ca 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3i1i h ALA 153 Cb 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3i1i h ALA 153 CO 0.00 -0.32 -0.00 0.78 0.00 0.00 0.00 179.25 179.70 3i1i h GLY 154 N 0.16 0.79 -2.47 0.00 0.00 -0.44 -1.71 103.07 99.39 3i1i h GLY 154 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3i1i h GLY 154 CO -0.03 0.48 0.00 0.61 0.00 0.00 0.00 176.54 177.60 3i1i n GLY 155 N -0.69 1.04 1.12 4.60 0.00 0.39 -1.77 105.19 109.89 3i1i n GLY 155 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 1.08 0.00 0.02 -0.61 5.41 -0.64 -1.50 119.36 123.12 3i1i n ILE 157 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3i1i n ILE 157 Cb 0.22 0.00 0.31 0.00 -0.71 0.00 0.00 39.64 39.46 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 1.38 -0.16 -1.39 0.00 -1.61 -1.82 119.26 115.65 3i1i h ALA 158 Ca 0.00 -0.21 -0.17 0.00 0.00 0.00 0.00 54.91 54.53 3i1i h ALA 158 Cb 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i1i h ALA 158 CO 0.00 0.43 -0.60 1.96 0.00 0.00 0.00 179.25 181.04 3i1i h GLN 159 N 0.46 0.56 -0.67 0.00 4.20 -1.55 -2.18 115.11 115.92 3i1i h GLN 159 Ca 0.10 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.38 3i1i h GLN 159 Cb 0.35 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 3i1i h GLN 159 CO 0.01 0.99 0.24 1.96 -0.67 0.00 0.00 178.83 181.36 3i1i h GLN 160 N 0.41 1.02 -0.50 1.46 1.08 -1.73 -1.33 115.11 115.54 3i1i h GLN 160 Ca -0.00 -0.21 0.09 0.00 -1.45 0.00 0.00 58.65 57.08 3i1i h GLN 160 Cb 1.16 -0.16 -0.08 0.00 -0.05 0.00 0.00 27.48 28.36 3i1i h GLN 160 CO 0.11 0.88 0.03 -1.49 -0.95 0.00 0.00 178.83 177.41 3i1i h TRP 161 N 0.96 0.02 -0.32 2.96 4.06 -1.16 -0.86 115.95 121.61 3i1i h TRP 161 Ca 0.22 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 61.13 3i1i h TRP 161 Cb 0.26 0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.47 3i1i h TRP 161 CO 0.02 -0.09 -0.13 0.00 -3.56 0.00 0.00 178.44 174.68 3i1i h ALA 162 N 1.43 1.18 0.12 1.49 0.00 -0.65 -1.36 119.26 121.47 3i1i h ALA 162 Ca 0.25 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.58 3i1i h ALA 162 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i1i h ALA 162 CO -0.39 0.52 -1.42 0.28 0.00 0.00 0.00 179.25 178.23 3i1i h VAL 163 N 0.51 1.28 0.00 0.00 2.07 -1.06 -3.34 116.25 115.70 3i1i h VAL 163 Ca 0.09 -2.89 0.00 0.00 0.82 0.00 0.00 66.70 64.72 3i1i h VAL 163 Cb 0.52 2.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 3i1i h VAL 163 CO 0.03 0.84 -1.41 1.41 0.02 0.00 0.00 177.57 178.46 3i1i n HIS 164 N -3.48 0.00 -3.04 1.57 -0.00 -0.35 -4.45 115.22 105.48 3i1i n HIS 164 Ca -0.13 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.36 3i1i n HIS 164 Cb 1.04 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.99 30.75 3i1i n HIS 164 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3i1i n TYR 165 N -1.83 2.21 -0.17 4.41 4.01 -0.52 -4.98 117.16 120.29 3i1i n TYR 165 Ca -0.01 -3.87 -0.03 0.00 -0.16 0.00 0.00 57.90 53.84 3i1i n TYR 165 Cb 0.38 -0.45 0.07 0.00 -0.31 0.00 0.00 39.34 39.03 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 0.33 -1.48 -0.72 0.13 -1.72 -3.26 132.00 128.26 3i1i h PRO 166 Ca 0.12 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3i1i h PRO 166 Cb 0.74 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3i1i h PRO 166 CO 0.67 0.22 0.00 0.72 -0.23 0.00 0.00 178.00 179.38 3i1i n HIS 167 N -5.02 0.00 0.00 1.56 8.25 -1.26 -4.60 115.22 114.15 3i1i n HIS 167 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.52 3i1i n HIS 167 Cb 0.22 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 0.76 0.00 -0.04 1.59 0.31 -1.23 -4.90 118.33 114.82 3i1i n VAL 169 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.20 3i1i n VAL 169 Cb 0.00 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 2.32 0.23 0.00 5.55 5.08 -1.60 -3.28 114.58 122.89 3i1i h GLU 170 Ca 0.00 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3i1i h GLU 170 Cb 0.00 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 3i1i h GLU 170 CO 0.00 0.60 -0.04 0.54 -1.00 0.00 0.00 179.01 179.12 3i1i n ARG 171 N -4.69 0.28 -3.15 2.33 1.74 -1.13 -1.25 116.66 110.79 3i1i n ARG 171 Ca -0.07 -0.27 0.05 0.00 -0.77 0.00 0.00 57.85 56.79 3i1i n ARG 171 Cb 0.29 0.20 -0.03 0.00 -1.02 0.00 0.00 32.46 31.90 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 -1.98 -0.01 -0.37 0.55 1.01 -0.74 -0.68 121.20 118.98 3i1i s ILE 173 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 3i1i s ILE 173 Cb 0.00 -1.00 0.06 0.00 0.01 0.00 0.00 42.46 41.53 3i1i s ILE 173 CO 0.02 0.00 0.16 -0.83 0.00 0.00 0.00 174.94 174.29 3i1i s GLY 174 N 2.51 1.90 -0.08 6.18 0.00 -0.47 -2.51 107.32 114.84 3i1i s GLY 174 Ca -0.05 -2.00 -0.16 0.00 0.00 0.00 0.00 44.72 42.51 3i1i s GLY 174 CO -0.11 0.87 0.40 0.14 0.00 0.00 0.00 173.10 174.40 3i1i s VAL 175 N 1.36 5.15 -1.38 1.40 1.01 -0.75 -1.05 120.40 126.13 3i1i s VAL 175 Ca 0.01 0.81 -0.13 0.00 0.00 0.00 0.00 61.98 62.66 3i1i s VAL 175 Cb -0.21 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.46 3i1i s VAL 175 CO 0.01 0.45 0.36 2.30 0.00 0.00 0.00 175.10 178.23 3i1i n ILE 176 N 2.85 -2.36 -4.03 2.22 -5.35 -0.00 -0.49 119.36 112.19 3i1i n ILE 176 Ca -0.11 -0.58 -0.07 0.00 -0.27 0.00 0.00 62.75 61.72 3i1i n ILE 176 Cb 0.52 -2.01 -0.03 0.00 -1.74 0.00 0.00 39.64 36.38 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 -4.68 0.00 -3.51 7.28 5.66 -1.26 -2.65 114.28 115.13 3i1i n THR 177 Ca -0.24 -0.86 -0.15 0.00 -3.05 0.00 0.00 64.05 59.75 3i1i n THR 177 Cb 0.64 0.45 -0.05 0.00 -1.55 0.00 0.00 70.33 69.82 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 -1.86 -0.58 0.49 1.09 0.01 -1.26 -4.81 114.94 108.02 3i1i s ASN 178 Ca 0.14 0.47 0.22 0.00 -0.71 0.00 0.00 52.86 52.99 3i1i s ASN 178 Cb 0.00 0.51 1.29 0.00 0.41 0.00 0.00 41.25 43.47 3i1i s ASN 178 CO 0.10 -0.65 2.05 1.55 -1.51 0.00 0.00 177.10 178.64 3i1i h PRO 179 N 2.66 0.00 -3.52 -0.60 0.13 -1.96 -3.42 132.00 125.28 3i1i h PRO 179 Ca -0.27 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.57 3i1i h PRO 179 Cb 1.19 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.98 3i1i h PRO 179 CO 0.37 0.14 -0.72 -0.65 -0.23 0.00 0.00 178.00 176.92 3i1i s GLN 180 N -4.38 -0.03 0.16 0.86 -0.21 -1.26 -2.03 119.66 112.78 3i1i s GLN 180 Ca -0.03 0.18 -0.32 0.00 0.02 0.00 0.00 55.36 55.21 3i1i s GLN 180 Cb 0.14 -0.22 -0.10 0.00 1.00 0.00 0.00 33.01 33.83 3i1i s GLN 180 CO 0.63 -0.15 1.64 1.21 -2.12 0.00 0.00 175.29 176.50 3i1i s ASN 181 N 0.96 6.52 0.61 5.90 2.47 -0.38 -4.90 114.94 126.12 3i1i s ASN 181 Ca -0.08 2.68 -0.20 0.00 0.42 0.00 0.00 52.86 55.68 3i1i s ASN 181 Cb -0.11 -2.59 -0.03 0.00 -1.45 0.00 0.00 41.25 37.07 3i1i s ASN 181 CO -0.03 -0.89 1.33 -2.84 -3.72 0.00 0.00 177.10 170.95 3i1i s PRO 182 N 1.47 2.77 0.21 0.43 0.02 -1.26 -4.78 135.00 133.87 3i1i s PRO 182 Ca 0.73 2.16 -0.10 0.00 0.02 0.00 0.00 61.00 63.81 3i1i s PRO 182 Cb -0.45 -2.01 0.18 0.00 0.02 0.00 0.00 34.50 32.24 3i1i s PRO 182 CO 0.32 -1.45 1.88 0.82 -0.33 0.00 0.00 177.00 178.23 3i1i h ILE 183 N 0.90 1.17 -0.61 2.83 1.08 -1.98 0.15 117.51 121.05 3i1i h ILE 183 Ca -0.51 -0.35 0.03 0.00 -0.39 0.00 0.00 64.86 63.64 3i1i h ILE 183 Cb 1.32 0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3i1i h ILE 183 CO 0.55 0.19 0.37 -0.29 -0.69 0.00 0.00 178.15 178.28 3i1i h ILE 184 N 1.02 1.07 -0.02 -0.67 2.10 -1.96 -1.25 117.51 117.80 3i1i h ILE 184 Ca 0.29 -0.25 -0.25 0.00 1.08 0.00 0.00 64.86 65.73 3i1i h ILE 184 Cb -0.08 0.27 0.01 0.00 -1.09 0.00 0.00 36.82 35.94 3i1i h ILE 184 CO -0.08 0.13 -0.97 0.74 -1.08 0.00 0.00 178.15 176.89 3i1i h THR 185 N 0.74 1.32 -0.85 2.19 2.02 -1.74 -0.60 112.91 115.99 3i1i h THR 185 Ca 0.25 -2.29 0.06 0.00 0.77 0.00 0.00 66.41 65.20 3i1i h THR 185 Cb 0.02 2.35 -0.06 0.00 -1.74 0.00 0.00 68.15 68.72 3i1i h THR 185 CO -0.10 0.70 0.53 0.28 0.37 0.00 0.00 175.52 177.29 3i1i h SER 186 N 0.35 0.83 0.02 4.18 0.02 -0.20 -1.36 113.55 117.39 3i1i h SER 186 Ca -0.10 0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 60.70 3i1i h SER 186 Cb 1.61 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 63.98 3i1i h SER 186 CO 0.18 0.54 -0.90 0.58 -1.14 0.00 0.00 176.83 176.10 3i1i h VAL 187 N 0.97 1.20 -0.02 2.27 2.07 -1.25 0.77 116.25 122.26 3i1i h VAL 187 Ca 0.37 -2.26 -0.17 0.00 0.82 0.00 0.00 66.70 65.45 3i1i h VAL 187 Cb 0.16 2.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 3i1i h VAL 187 CO -0.17 0.46 -0.77 -1.13 0.02 0.00 0.00 177.57 175.99 3i1i h ASN 188 N -0.89 0.20 0.00 0.57 -1.24 -1.07 -1.05 115.58 112.10 3i1i h ASN 188 Ca -0.23 -0.14 -0.36 0.00 0.71 0.00 0.00 56.30 56.27 3i1i h ASN 188 Cb 1.28 -0.06 -0.05 0.00 0.73 0.00 0.00 38.32 40.22 3i1i h ASN 188 CO -0.11 0.89 -2.20 0.52 -1.29 0.00 0.00 177.43 175.25 3i1i n VAL 189 N -3.72 1.17 0.09 2.57 0.31 -0.57 -4.43 118.33 113.75 3i1i n VAL 189 Ca -0.03 -0.31 -0.05 0.00 -0.01 0.00 0.00 64.34 63.95 3i1i n VAL 189 Cb 0.73 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 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 -0.72 -0.33 -0.15 3.52 0.00 -1.30 -2.76 119.26 117.52 3i1i h ALA 190 Ca -0.54 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.32 3i1i h ALA 190 Cb 1.49 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 3i1i h ALA 190 CO -0.31 -0.31 0.01 0.37 0.00 0.00 0.00 179.25 179.01 3i1i h GLN 191 N -1.01 0.06 -0.40 0.00 4.15 -0.78 -1.87 115.11 115.27 3i1i h GLN 191 Ca -0.03 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.40 3i1i h GLN 191 Cb 0.24 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 3i1i h GLN 191 CO 0.05 0.04 0.27 -0.91 -1.93 0.00 0.00 178.83 176.35 3i1i h ASN 192 N 0.07 0.41 -0.24 -0.69 2.35 -1.34 -1.43 115.58 114.70 3i1i h ASN 192 Ca 0.07 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3i1i h ASN 192 Cb 0.07 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3i1i h ASN 192 CO -0.11 0.29 -0.18 0.00 -1.65 0.00 0.00 177.43 175.79 3i1i h ALA 193 N 1.76 0.35 -0.67 -0.83 0.00 -1.10 -0.63 119.26 118.14 3i1i h ALA 193 Ca 0.15 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3i1i h ALA 193 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3i1i h ALA 193 CO -0.04 0.26 0.42 0.82 0.00 0.00 0.00 179.25 180.72 3i1i h ILE 194 N 0.26 1.08 0.00 0.00 2.04 -1.02 -1.91 117.51 117.96 3i1i h ILE 194 Ca 0.05 -0.28 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 3i1i h ILE 194 Cb 0.71 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 3i1i h ILE 194 CO 0.05 0.15 -0.85 -0.33 0.00 0.00 0.00 178.15 177.16 3i1i h GLU 195 N 0.82 0.16 -0.16 2.37 5.08 -1.13 -1.04 114.58 120.68 3i1i h GLU 195 Ca 0.27 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 3i1i h GLU 195 Cb 0.03 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3i1i h GLU 195 CO -0.11 0.92 0.06 0.00 -1.00 0.00 0.00 179.01 178.88 3i1i h ALA 196 N 1.02 0.21 -0.39 3.43 0.00 -0.97 0.44 119.26 123.01 3i1i h ALA 196 Ca -0.04 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3i1i h ALA 196 Cb 1.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.17 3i1i h ALA 196 CO 0.13 -0.19 0.21 0.82 0.00 0.00 0.00 179.25 180.22 3i1i h ILE 197 N 0.10 1.01 -0.11 0.00 2.04 -1.11 -2.64 117.51 116.80 3i1i h ILE 197 Ca 0.05 -0.15 -0.08 0.00 1.00 0.00 0.00 64.86 65.69 3i1i h ILE 197 Cb 0.20 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3i1i h ILE 197 CO -0.00 0.08 -0.29 0.03 0.00 0.00 0.00 178.15 177.97 3i1i h ARG 198 N 0.43 0.20 -0.08 2.37 3.08 -1.01 -2.85 114.38 116.51 3i1i h ARG 198 Ca 0.16 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3i1i h ARG 198 Cb 0.04 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3i1i h ARG 198 CO -0.10 0.48 -0.36 1.25 -1.07 0.00 0.00 179.97 180.17 3i1i h LEU 199 N 0.18 0.16 -9.21 3.04 5.85 -0.56 -3.43 115.31 111.34 3i1i h LEU 199 Ca 0.03 -0.06 -0.55 0.00 0.84 0.00 0.00 57.88 58.14 3i1i h LEU 199 Cb 0.61 -0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.60 3i1i h LEU 199 CO 0.04 0.51 1.28 -0.62 -0.34 0.00 0.00 178.44 179.32 3i1i s ASP 200 N -6.89 6.18 0.56 1.25 -1.08 -1.06 -4.86 116.67 110.77 3i1i s ASP 200 Ca -0.04 2.30 0.25 0.00 -0.52 0.00 0.00 52.55 54.54 3i1i s ASP 200 Cb 0.14 -2.53 1.54 0.00 -1.46 0.00 0.00 42.92 40.61 3i1i s ASP 200 CO 0.75 -1.32 2.11 -0.65 0.52 0.00 0.00 175.17 176.58 3i1i h PRO 201 N 11.77 0.00 0.00 4.34 0.11 -1.88 0.13 132.00 146.48 3i1i h PRO 201 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3i1i h PRO 201 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3i1i h PRO 201 CO 0.95 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.17 3i1i n SER 202 N -4.10 0.64 0.01 -2.05 7.64 -1.26 -2.35 113.62 112.16 3i1i n SER 202 Ca 0.02 0.72 0.05 0.00 1.01 0.00 0.00 58.87 60.66 3i1i n SER 202 Cb 0.29 -0.83 0.44 0.00 -1.01 0.00 0.00 64.21 63.10 3i1i n SER 202 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 3i1i h TRP 203 N 0.00 0.48 -6.62 1.43 7.01 -0.98 -3.40 115.95 113.87 3i1i h TRP 203 Ca 0.00 0.01 -0.52 0.00 2.11 0.00 0.00 58.89 60.49 3i1i h TRP 203 Cb 0.19 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.05 3i1i h TRP 203 CO 0.00 0.30 -0.94 1.63 -2.79 0.00 0.00 178.44 176.64 3i1i n LYS 204 N -4.48 -1.70 -1.13 2.65 5.02 -0.99 -0.81 118.16 116.73 3i1i n LYS 204 Ca 0.03 0.29 -0.04 0.00 -2.02 0.00 0.00 58.31 56.57 3i1i n LYS 204 Cb 0.07 -3.83 -0.02 0.00 -0.02 0.00 0.00 35.03 31.24 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 -2.03 0.57 1.66 0.72 0.00 -1.26 -0.79 105.19 104.06 3i1i n GLY 205 Ca -0.21 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.56 0.78 2.73 -0.02 0.00 0.01 -4.99 105.19 103.14 3i1i n GLY 206 Ca -0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 4.67 0.00 1.61 4.76 0.03 -4.78 118.16 122.45 3i1i n LYS 207 Ca 0.00 -4.63 0.12 0.00 -2.87 0.00 0.00 58.31 50.94 3i1i n LYS 207 Cb 0.00 -2.39 0.25 0.00 -1.84 0.00 0.00 35.03 31.05 3i1i n LYS 207 CO 0.00 0.00 0.00 2.48 -1.37 0.00 0.00 177.40 178.51 3i1i n TYR 208 N -0.15 0.00 0.00 2.13 0.18 -1.25 -4.87 117.16 113.20 3i1i n TYR 208 Ca 0.43 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.21 3i1i n TYR 208 Cb 0.30 -0.04 0.00 0.00 -0.38 0.00 0.00 39.34 39.22 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 1.33 3.16 0.00 -7.48 0.00 -1.26 -2.37 105.19 98.57 3i1i n GLY 209 Ca 0.13 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 13.24 0.63 -2.45 1.61 1.02 -1.26 -4.80 120.64 128.63 3i1i n GLU 210 Ca 0.00 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.69 3i1i n GLU 210 Cb 0.00 -1.43 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 3i1i n GLU 210 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3i1i s GLU 211 N -3.03 3.33 0.49 3.49 2.02 -1.00 -4.97 118.70 119.03 3i1i s GLU 211 Ca 0.02 -0.82 -0.22 0.00 0.02 0.00 0.00 54.97 53.96 3i1i s GLU 211 Cb 0.14 -5.15 -0.07 0.00 0.10 0.00 0.00 34.13 29.16 3i1i s GLU 211 CO 0.80 -2.43 1.22 -0.65 0.02 0.00 0.00 175.26 174.22 3i1i s GLN 212 N 5.49 3.57 0.35 1.61 -1.52 -1.26 -4.84 119.66 123.06 3i1i s GLN 212 Ca 0.50 1.89 -0.27 0.00 -1.95 0.00 0.00 55.36 55.53 3i1i s GLN 212 Cb -0.02 -2.35 -0.09 0.00 -0.22 0.00 0.00 33.01 30.32 3i1i s GLN 212 CO -0.05 -0.74 1.13 -1.25 -0.25 0.00 0.00 175.29 174.13 3i1i s PRO 213 N -2.77 4.33 0.00 2.91 0.04 -1.26 -4.95 135.00 133.29 3i1i s PRO 213 Ca 0.66 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.48 3i1i s PRO 213 Cb -0.32 -2.87 0.00 0.00 0.04 0.00 0.00 34.50 31.35 3i1i s PRO 213 CO 0.38 -0.07 0.00 1.63 0.04 0.00 0.00 177.00 178.98 3i1i n LYS 215 N 0.52 0.00 -0.37 4.56 5.02 -1.26 -1.38 118.16 125.25 3i1i n LYS 215 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 3i1i n LYS 215 Cb 0.46 0.00 0.11 0.00 -0.02 0.00 0.00 35.03 35.58 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 1.39 1.51 0.72 0.00 -1.89 -1.14 103.07 103.66 3i1i h GLY 216 Ca 0.00 -0.51 -0.14 0.00 0.00 0.00 0.00 47.33 46.67 3i1i h GLY 216 CO 0.00 0.50 -0.48 -2.00 0.00 0.00 0.00 176.54 174.56 3i1i h LEU 217 N 1.33 0.57 -0.27 3.11 5.85 -1.53 -0.82 115.31 123.55 3i1i h LEU 217 Ca 0.36 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 3i1i h LEU 217 Cb -0.14 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.72 3i1i h LEU 217 CO -0.08 0.96 -0.25 -0.61 -0.34 0.00 0.00 178.44 178.12 3i1i h GLN 218 N 0.42 0.65 -0.45 1.25 4.15 -1.72 -0.15 115.11 119.26 3i1i h GLN 218 Ca 0.02 -0.34 0.08 0.00 0.77 0.00 0.00 58.65 59.18 3i1i h GLN 218 Cb 0.99 0.01 -0.07 0.00 0.21 0.00 0.00 27.48 28.63 3i1i h GLN 218 CO 0.09 0.94 0.07 1.25 -1.93 0.00 0.00 178.83 179.25 3i1i h LEU 219 N 0.39 -0.05 -0.46 -2.39 5.85 -1.09 0.24 115.31 117.81 3i1i h LEU 219 Ca 0.05 0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3i1i h LEU 219 Cb 0.81 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 3i1i h LEU 219 CO 0.06 0.01 0.23 0.00 -0.34 0.00 0.00 178.44 178.40 3i1i h ALA 220 N 1.36 0.58 -0.63 1.25 0.00 -0.96 -2.45 119.26 118.41 3i1i h ALA 220 Ca 0.22 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3i1i h ALA 220 Cb 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i1i h ALA 220 CO -0.31 -0.12 0.03 -0.97 0.00 0.00 0.00 179.25 177.88 3i1i h ASN 221 N 0.46 1.07 -0.33 0.00 -1.24 -0.57 -3.44 115.58 111.52 3i1i h ASN 221 Ca 0.20 -0.29 -0.21 0.00 0.71 0.00 0.00 56.30 56.71 3i1i h ASN 221 Cb 0.10 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 38.84 3i1i h ASN 221 CO -0.14 1.10 0.66 -0.60 -1.29 0.00 0.00 177.43 177.16 3i1i s ARG 222 N -5.08 1.97 -0.42 6.67 3.52 0.82 -5.05 118.95 121.37 3i1i s ARG 222 Ca -0.12 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 3i1i s ARG 222 Cb 0.14 -5.13 0.00 0.00 -1.56 0.00 0.00 34.95 28.40 3i1i s ARG 222 CO 0.86 -4.58 0.13 0.34 -0.81 0.00 0.00 175.30 171.23 3i1i n PHE 225 N 16.52 -0.47 0.00 5.12 7.35 -1.26 -5.03 117.46 139.68 3i1i n PHE 225 Ca 0.43 0.11 0.00 0.00 -0.76 0.00 0.00 57.45 57.24 3i1i n PHE 225 Cb 0.47 -1.90 0.00 0.00 0.35 0.00 0.00 39.48 38.40 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 0.69 0.00 -0.00 -2.13 3.02 -1.26 -4.35 115.26 111.22 3i1i n ASN 227 Ca -0.04 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.64 3i1i n ASN 227 Cb 0.54 0.00 0.42 0.00 -0.61 0.00 0.00 39.78 40.12 3i1i n ASN 227 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1i n ALA 228 N 0.00 3.01 -2.49 5.41 0.00 -1.26 -4.04 120.51 121.14 3i1i n ALA 228 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 53.44 52.95 3i1i n ALA 228 Cb 0.00 -1.27 -0.08 0.00 0.00 0.00 0.00 19.45 18.09 3i1i n ALA 228 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3i1i s PHE 229 N -2.99 1.79 0.44 0.00 0.08 -1.26 -2.66 117.98 113.39 3i1i s PHE 229 Ca 0.13 -1.27 -0.24 0.00 0.12 0.00 0.00 56.93 55.66 3i1i s PHE 229 Cb 0.18 -1.14 -0.08 0.00 -0.57 0.00 0.00 43.02 41.42 3i1i s PHE 229 CO 0.62 -0.30 1.28 0.34 -0.10 0.00 0.00 175.22 177.07 3i1i s ASP 230 N -3.57 6.08 0.24 1.36 2.15 -0.79 -4.71 116.67 117.42 3i1i s ASP 230 Ca 0.26 2.59 -0.10 0.00 0.43 0.00 0.00 52.55 55.74 3i1i s ASP 230 Cb 0.03 -2.63 0.35 0.00 -0.30 0.00 0.00 42.92 40.38 3i1i s ASP 230 CO 0.15 -1.00 1.39 1.21 -0.17 0.00 0.00 175.17 176.75 3i1i n GLU 231 N -0.24 -0.12 0.26 4.34 0.00 -1.26 -1.31 120.64 122.32 3i1i n GLU 231 Ca 0.06 1.39 0.14 0.00 0.00 0.00 0.00 57.16 58.75 3i1i n GLU 231 Cb 0.45 -2.07 0.69 0.00 0.00 0.00 0.00 31.44 30.50 3i1i n GLU 231 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 3i1i h HIS 232 N 0.00 0.00 -0.46 4.31 2.76 -1.91 -2.65 115.15 117.20 3i1i h HIS 232 Ca 0.39 0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.60 3i1i h HIS 232 Cb 0.62 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.54 3i1i h HIS 232 CO -0.72 0.11 0.25 0.35 -1.30 0.00 0.00 177.93 176.62 3i1i h PHE 233 N 0.00 0.46 -0.49 5.26 3.57 -1.42 -2.69 116.94 121.63 3i1i h PHE 233 Ca -0.00 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.40 3i1i h PHE 233 Cb 0.46 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 3i1i h PHE 233 CO 0.00 0.25 -0.13 1.88 -2.23 0.00 0.00 178.31 178.07 3i1i h TYR 234 N 0.49 1.07 -0.90 0.41 0.05 -1.55 -0.12 116.97 116.42 3i1i h TYR 234 Ca 0.19 -0.24 0.12 0.00 0.05 0.00 0.00 58.73 58.86 3i1i h TYR 234 Cb 0.07 -0.26 -0.07 0.00 1.01 0.00 0.00 36.73 37.48 3i1i h TYR 234 CO -0.09 1.03 0.58 1.49 -1.05 0.00 0.00 178.16 180.12 3i1i h GLU 235 N 0.81 0.77 0.00 4.88 4.57 -1.43 -1.14 114.58 123.04 3i1i h GLU 235 Ca 0.12 -0.05 -0.11 0.00 -1.18 0.00 0.00 59.36 58.14 3i1i h GLU 235 Cb 0.69 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 3i1i h GLU 235 CO 0.05 0.51 -2.05 0.25 -1.18 0.00 0.00 179.01 176.60 3i1i n THR 236 N -4.56 0.43 0.06 0.32 -2.24 -1.03 -3.77 114.28 103.50 3i1i n THR 236 Ca 0.17 -0.57 -0.13 0.00 -2.27 0.00 0.00 64.05 61.24 3i1i n THR 236 Cb 0.39 -0.14 -0.14 0.00 -2.10 0.00 0.00 70.33 68.34 3i1i n THR 236 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3i1i h THR 237 N 0.00 1.35 -2.14 4.28 2.02 -0.84 -3.38 112.91 114.20 3i1i h THR 237 Ca -0.17 -3.01 -0.58 0.00 0.77 0.00 0.00 66.41 63.42 3i1i h THR 237 Cb 1.34 2.79 -0.41 0.00 -1.74 0.00 0.00 68.15 70.13 3i1i h THR 237 CO 0.01 0.84 -0.75 -1.22 0.37 0.00 0.00 175.52 174.77 3i1i n TYR 238 N -3.41 2.55 -2.15 3.16 4.01 -0.45 -5.08 117.16 115.80 3i1i n TYR 238 Ca -0.10 -3.98 -0.34 0.00 -0.16 0.00 0.00 57.90 53.32 3i1i n TYR 238 Cb 1.01 -0.49 0.01 0.00 -0.31 0.00 0.00 39.34 39.56 3i1i n TYR 238 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3i1i s PRO 239 N -2.27 3.28 0.13 -0.72 0.04 -1.25 -4.73 135.00 129.49 3i1i s PRO 239 Ca 0.40 1.47 -0.31 0.00 0.04 0.00 0.00 61.00 62.60 3i1i s PRO 239 Cb 0.18 -2.01 -0.08 0.00 0.04 0.00 0.00 34.50 32.63 3i1i s PRO 239 CO -0.05 -0.88 1.39 0.50 0.04 0.00 0.00 177.00 178.00 3i1i s ARG 240 N -3.57 4.32 -0.48 4.56 3.52 -1.26 -4.58 118.95 121.46 3i1i s ARG 240 Ca 0.69 2.09 -0.21 0.00 -0.13 0.00 0.00 55.73 58.18 3i1i s ARG 240 Cb -0.21 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 29.99 3i1i s ARG 240 CO 0.31 -0.43 0.70 1.21 -0.81 0.00 0.00 175.30 176.28 3i1i s ASN 241 N 1.01 6.30 0.00 -2.12 3.84 -1.26 -4.95 114.94 117.76 3i1i s ASN 241 Ca 0.64 -0.51 0.27 0.00 0.21 0.00 0.00 52.86 53.47 3i1i s ASN 241 Cb -0.37 -2.34 1.31 0.00 -0.55 0.00 0.00 41.25 39.30 3i1i s ASN 241 CO 0.31 -0.91 1.88 -1.20 -2.79 0.00 0.00 177.10 174.39 3i1i n SER 242 N 6.49 0.79 -0.13 -4.21 7.64 -1.26 -4.17 113.62 118.78 3i1i n SER 242 Ca -0.02 -1.35 -0.26 0.00 1.01 0.00 0.00 58.87 58.25 3i1i n SER 242 Cb 0.47 -0.02 -0.09 0.00 -1.01 0.00 0.00 64.21 63.57 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 -0.35 1.52 -0.52 0.44 2.08 -1.26 -4.99 119.36 116.28 3i1i n ILE 243 Ca 0.20 -0.29 -0.20 0.00 0.56 0.00 0.00 62.75 63.01 3i1i n ILE 243 Cb 0.22 -1.97 -0.03 0.00 -0.75 0.00 0.00 39.64 37.12 3i1i n ILE 243 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 3i1i n GLU 244 N -4.28 0.00 -0.05 0.38 1.02 -1.26 -4.92 120.64 111.53 3i1i n GLU 244 Ca -0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 56.64 3i1i n GLU 244 Cb 0.82 -0.49 -0.10 0.00 -0.02 0.00 0.00 31.44 31.65 3i1i n GLU 244 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i1i n VAL 245 N 0.80 0.63 -0.31 2.62 0.31 -1.26 -4.66 118.33 116.46 3i1i n VAL 245 Ca 0.08 -0.47 -0.03 0.00 -0.01 0.00 0.00 64.34 63.91 3i1i n VAL 245 Cb 0.01 -0.45 0.09 0.00 -0.91 0.00 0.00 33.84 32.58 3i1i n VAL 245 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3i1i h GLU 246 N 0.00 1.10 0.00 5.55 3.07 -1.96 -0.77 114.58 121.57 3i1i h GLU 246 Ca -0.25 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.54 3i1i h GLU 246 Cb 1.47 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3i1i h GLU 246 CO 0.01 0.73 -0.00 -1.35 -1.40 0.00 0.00 179.01 177.00 3i1i h PRO 247 N 1.14 0.00 -0.00 2.33 0.11 -1.82 -1.25 132.00 132.50 3i1i h PRO 247 Ca 0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.43 3i1i h PRO 247 Cb -0.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3i1i h PRO 247 CO -0.08 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.38 3i1i n TYR 248 N -3.53 0.00 -0.00 0.65 4.01 -0.30 -4.13 117.16 113.86 3i1i n TYR 248 Ca -0.03 -0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.72 3i1i n TYR 248 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.10 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 -0.90 0.71 -3.94 -0.72 1.02 -0.48 -5.01 120.64 111.32 3i1i n GLU 249 Ca 0.23 -0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.26 3i1i n GLU 249 Cb 0.13 -1.05 -0.12 0.00 -0.02 0.00 0.00 31.44 30.39 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 -2.12 0.26 0.18 3.49 1.02 -1.22 -5.04 119.74 116.30 3i1i s LYS 250 Ca -0.01 -0.43 -0.12 0.00 0.02 0.00 0.00 55.97 55.43 3i1i s LYS 250 Cb 0.01 0.10 0.08 0.00 -0.52 0.00 0.00 37.83 37.50 3i1i s LYS 250 CO 0.08 -0.05 1.78 0.28 -0.92 0.00 0.00 175.35 176.52 3i1i h VAL 251 N 4.72 1.20 0.00 3.17 2.07 -1.93 -1.96 116.25 123.53 3i1i h VAL 251 Ca -0.30 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 66.69 3i1i h VAL 251 Cb 1.21 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.44 3i1i h VAL 251 CO 0.43 0.22 0.00 -1.54 0.02 0.00 0.00 177.57 176.70 3i1i n SER 252 N -4.56 0.00 -4.64 0.57 3.41 -1.26 -4.75 113.62 102.39 3i1i n SER 252 Ca 0.04 0.44 -0.43 0.00 -0.26 0.00 0.00 58.87 58.66 3i1i n SER 252 Cb 0.10 -0.47 -0.02 0.00 -0.26 0.00 0.00 64.21 63.55 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 -2.95 6.64 0.31 4.04 0.01 -0.74 -5.01 113.70 116.01 3i1i s SER 253 Ca 0.10 1.40 -0.21 0.00 1.31 0.00 0.00 55.95 58.55 3i1i s SER 253 Cb 0.12 -2.54 -0.09 0.00 0.21 0.00 0.00 66.02 63.72 3i1i s SER 253 CO 0.32 -1.07 0.83 -0.76 0.41 0.00 0.00 173.24 172.98 3i1i s LEU 254 N 4.43 4.20 0.98 2.44 1.43 -1.26 -4.38 118.68 126.52 3i1i s LEU 254 Ca 0.60 1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 55.14 3i1i s LEU 254 Cb -0.20 -4.00 0.18 0.00 0.03 0.00 0.00 46.19 42.20 3i1i s LEU 254 CO 0.23 -0.12 1.09 0.42 0.23 0.00 0.00 176.35 178.20 3i1i s THR 255 N -1.78 2.30 0.14 5.49 -4.23 -1.26 -4.61 115.64 111.69 3i1i s THR 255 Ca 0.51 0.10 -0.15 0.00 -1.18 0.00 0.00 61.69 60.97 3i1i s THR 255 Cb -0.14 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.19 3i1i s THR 255 CO 0.19 -0.13 1.70 0.77 -0.54 0.00 0.00 174.62 176.61 3i1i h SER 256 N -1.85 0.63 -0.72 3.99 4.64 -1.94 -2.22 113.55 116.09 3i1i h SER 256 Ca -0.53 -0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 60.60 3i1i h SER 256 Cb 1.31 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.20 3i1i h SER 256 CO 0.55 0.62 0.36 2.19 -0.87 0.00 0.00 176.83 179.68 3i1i h PHE 257 N 0.59 1.02 -0.95 4.77 -5.15 -1.85 -1.07 116.94 114.30 3i1i h PHE 257 Ca 0.15 -0.04 0.06 0.00 -0.20 0.00 0.00 57.97 57.94 3i1i h PHE 257 Cb 0.19 -0.32 -0.06 0.00 0.22 0.00 0.00 35.95 35.98 3i1i h PHE 257 CO 0.00 0.74 0.61 0.93 -2.00 0.00 0.00 178.31 178.60 3i1i h GLU 258 N 1.00 1.06 -0.33 6.09 5.08 -1.89 -0.79 114.58 124.80 3i1i h GLU 258 Ca 0.25 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3i1i h GLU 258 Cb 0.09 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3i1i h GLU 258 CO -0.03 0.70 -0.31 0.87 -1.00 0.00 0.00 179.01 179.24 3i1i h LYS 259 N 1.09 0.78 -0.06 2.33 1.57 -0.89 -0.32 116.57 121.08 3i1i h LYS 259 Ca 0.41 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3i1i h LYS 259 Cb 0.18 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 3i1i h LYS 259 CO -0.16 1.03 -0.01 0.93 -0.57 0.00 0.00 179.45 180.68 3i1i h GLU 260 N 0.55 0.01 -0.36 3.15 5.08 -0.33 -2.03 114.58 120.65 3i1i h GLU 260 Ca 0.05 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 3i1i h GLU 260 Cb 0.88 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 3i1i h GLU 260 CO 0.08 0.00 -0.22 0.82 -1.00 0.00 0.00 179.01 178.69 3i1i h ILE 261 N 0.01 1.27 -0.68 3.13 2.04 -1.19 -1.61 117.51 120.47 3i1i h ILE 261 Ca 0.03 -1.30 0.08 0.00 1.00 0.00 0.00 64.86 64.66 3i1i h ILE 261 Cb 0.04 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.28 3i1i h ILE 261 CO -0.05 0.43 0.34 0.78 0.00 0.00 0.00 178.15 179.65 3i1i h ASN 262 N 0.62 0.46 -0.34 1.72 4.21 -0.89 -0.07 115.58 121.30 3i1i h ASN 262 Ca 0.09 0.05 -0.08 0.00 1.21 0.00 0.00 56.30 57.57 3i1i h ASN 262 Cb 0.70 -0.03 -0.01 0.00 -1.12 0.00 0.00 38.32 37.86 3i1i h ASN 262 CO 0.05 0.28 -0.09 0.50 -1.29 0.00 0.00 177.43 176.88 3i1i h LYS 263 N 0.61 0.66 -0.27 0.81 3.64 -0.57 -1.67 116.57 119.78 3i1i h LYS 263 Ca 0.33 -0.26 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3i1i h LYS 263 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3i1i h LYS 263 CO -0.24 0.84 0.08 -0.07 -2.27 0.00 0.00 179.45 177.78 3i1i h LEU 264 N 0.45 0.39 -0.91 5.20 3.38 -0.96 -2.38 115.31 120.48 3i1i h LEU 264 Ca 0.08 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.76 3i1i h LEU 264 Cb 0.60 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3i1i h LEU 264 CO 0.04 0.50 -0.40 0.71 0.09 0.00 0.00 178.44 179.38 3i1i h THR 265 N 0.26 0.94 -0.07 0.22 1.35 -0.97 -2.19 112.91 112.45 3i1i h THR 265 Ca 0.08 -1.58 -0.22 0.00 -0.55 0.00 0.00 66.41 64.14 3i1i h THR 265 Cb 0.26 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.63 3i1i h THR 265 CO -0.00 0.39 -0.83 0.22 -0.25 0.00 0.00 175.52 175.05 3i1i h TYR 266 N 0.00 0.80 -0.24 4.73 3.20 -1.25 -3.22 116.97 120.99 3i1i h TYR 266 Ca -0.00 -0.38 -0.01 0.00 3.14 0.00 0.00 58.73 61.48 3i1i h TYR 266 Cb 0.92 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 3i1i h TYR 266 CO 0.00 1.19 0.12 -0.09 -1.64 0.00 0.00 178.16 177.73 3i1i h ARG 267 N 0.37 0.34 0.00 1.82 9.65 -1.09 -2.77 114.38 122.70 3i1i h ARG 267 Ca -0.06 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 3i1i h ARG 267 Cb 1.45 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.97 3i1i h ARG 267 CO 0.16 0.33 0.00 -1.13 2.80 0.00 0.00 179.97 182.13 3i1i n SER 268 N -4.84 0.00 -0.89 -3.80 3.41 -0.85 -2.44 113.62 104.20 3i1i n SER 268 Ca -0.03 0.10 0.08 0.00 -0.26 0.00 0.00 58.87 58.77 3i1i n SER 268 Cb 0.09 -0.31 0.20 0.00 -0.26 0.00 0.00 64.21 63.93 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 -1.31 0.82 -0.21 -1.33 -5.35 -1.05 -4.65 119.36 106.28 3i1i n ILE 269 Ca 0.08 -0.91 -0.02 0.00 -0.27 0.00 0.00 62.75 61.63 3i1i n ILE 269 Cb 0.14 0.65 0.19 0.00 -1.74 0.00 0.00 39.64 38.88 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 3.03 1.00 -0.44 6.28 5.08 -1.49 -2.11 114.58 125.93 3i1i h GLU 270 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3i1i h GLU 270 Cb 0.81 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3i1i h GLU 270 CO 0.00 0.76 0.00 1.28 -1.00 0.00 0.00 179.01 180.05 3i1i n LEU 271 N -4.35 2.66 -4.89 1.33 4.77 -1.26 -4.97 117.00 110.29 3i1i n LEU 271 Ca 0.07 -1.27 -0.32 0.00 -0.03 0.00 0.00 56.01 54.46 3i1i n LEU 271 Cb 0.12 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3i1i n LEU 271 CO 0.38 0.64 -0.17 -0.69 -1.33 0.00 0.00 177.39 176.22 3i1i s VAL 272 N -1.42 5.27 -0.13 4.08 1.01 -0.80 -2.22 120.40 126.19 3i1i s VAL 272 Ca 0.35 -0.37 -0.03 0.00 0.00 0.00 0.00 61.98 61.93 3i1i s VAL 272 Cb 0.18 -3.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 3i1i s VAL 272 CO 0.25 0.20 -0.02 -0.62 0.00 0.00 0.00 175.10 174.91 3i1i s ASP 273 N -2.29 4.96 0.08 3.32 2.15 -0.18 -4.89 116.67 119.81 3i1i s ASP 273 Ca 0.32 -0.04 -0.17 0.00 0.43 0.00 0.00 52.55 53.09 3i1i s ASP 273 Cb -0.13 -1.66 -0.10 0.00 -0.30 0.00 0.00 42.92 40.73 3i1i s ASP 273 CO 0.24 0.24 1.41 0.00 -0.17 0.00 0.00 175.17 176.89 3i1i h ALA 274 N 6.19 0.34 -0.75 3.66 0.00 -1.96 -1.45 119.26 125.30 3i1i h ALA 274 Ca -0.38 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 3i1i h ALA 274 Cb 1.19 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 3i1i h ALA 274 CO 0.61 0.26 0.44 -0.91 0.00 0.00 0.00 179.25 179.64 3i1i h ASN 275 N 0.25 0.91 -0.60 0.00 2.35 -1.96 -2.34 115.58 114.19 3i1i h ASN 275 Ca 0.04 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 3i1i h ASN 275 Cb 0.72 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.83 3i1i h ASN 275 CO 0.05 0.71 0.02 0.28 -1.65 0.00 0.00 177.43 176.84 3i1i h SER 276 N 1.04 1.03 0.00 5.81 0.02 -1.82 -1.01 113.55 118.62 3i1i h SER 276 Ca 0.27 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3i1i h SER 276 Cb -0.02 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.25 3i1i h SER 276 CO -0.05 1.07 0.00 1.87 -1.14 0.00 0.00 176.83 178.58 3i1i n TRP 277 N -4.19 0.00 0.00 3.45 -0.00 -0.57 -1.49 117.44 114.65 3i1i n TRP 277 Ca 0.03 -0.01 0.00 0.00 -0.00 0.00 0.00 57.50 57.53 3i1i n TRP 277 Cb 0.34 -0.06 0.00 0.00 -0.00 0.00 0.00 31.31 31.58 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 0.80 0.00 -0.13 5.87 4.02 -0.38 -0.72 117.16 126.60 3i1i n TYR 279 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.84 3i1i n TYR 279 Cb 0.01 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.25 -0.35 -0.72 2.02 -1.53 -0.32 112.91 113.26 3i1i h THR 280 Ca 0.00 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.06 3i1i h THR 280 Cb 0.00 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 3i1i h THR 280 CO 0.00 0.36 -0.27 0.00 0.37 0.00 0.00 175.52 175.98 3i1i h ALA 281 N 1.22 0.87 -0.24 6.16 0.00 -1.17 -1.61 119.26 124.49 3i1i h ALA 281 Ca 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3i1i h ALA 281 Cb 0.44 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i1i h ALA 281 CO 0.02 0.63 0.13 -0.22 0.00 0.00 0.00 179.25 179.81 3i1i h LYS 282 N 0.61 0.34 -0.97 0.00 1.63 -1.68 -0.13 116.57 116.37 3i1i h LYS 282 Ca 0.08 -0.04 0.07 0.00 -0.85 0.00 0.00 60.65 59.91 3i1i h LYS 282 Cb 0.78 -0.07 -0.07 0.00 -0.60 0.00 0.00 32.23 32.28 3i1i h LYS 282 CO 0.06 0.32 0.63 0.00 -3.45 0.00 0.00 179.45 177.01 3i1i h ALA 283 N 1.00 1.46 -0.21 5.00 0.00 -0.70 -0.70 119.26 125.11 3i1i h ALA 283 Ca 0.08 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3i1i h ALA 283 Cb 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3i1i h ALA 283 CO -0.01 0.38 0.03 0.28 0.00 0.00 0.00 179.25 179.93 3i1i h VAL 284 N 1.10 1.23 0.00 0.00 2.07 -0.97 -1.87 116.25 117.82 3i1i h VAL 284 Ca 0.43 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 3i1i h VAL 284 Cb 0.22 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3i1i h VAL 284 CO -0.17 0.24 -0.04 0.25 0.02 0.00 0.00 177.57 177.87 3i1i h LEU 285 N 0.15 0.00 -0.19 2.57 6.46 -0.45 -1.27 115.31 122.59 3i1i h LEU 285 Ca 0.06 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.82 3i1i h LEU 285 Cb 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.26 3i1i h LEU 285 CO 0.01 0.04 -0.33 0.18 -0.62 0.00 0.00 178.44 177.72 3i1i n LEU 286 N -4.29 0.62 -4.64 2.25 4.77 -0.32 -4.87 117.00 110.51 3i1i n LEU 286 Ca -0.03 -0.04 -0.42 0.00 -0.03 0.00 0.00 56.01 55.49 3i1i n LEU 286 Cb 0.12 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 3i1i n LEU 286 CO 0.33 0.13 1.65 -2.28 -1.33 0.00 0.00 177.39 175.89 3i1i s HIS 287 N -2.77 1.31 -0.31 -1.77 2.46 -0.48 -4.89 115.29 108.84 3i1i s HIS 287 Ca 0.18 -0.12 0.03 0.00 0.47 0.00 0.00 55.06 55.62 3i1i s HIS 287 Cb 0.19 -4.13 0.19 0.00 -0.13 0.00 0.00 32.58 28.69 3i1i s HIS 287 CO 0.60 -4.98 0.70 0.34 -2.47 0.00 0.00 174.74 168.93 3i1i s ASP 288 N 5.44 -1.35 0.58 9.88 2.15 -1.26 -1.25 116.67 130.86 3i1i s ASP 288 Ca 0.90 -0.02 0.39 0.00 0.43 0.00 0.00 52.55 54.25 3i1i s ASP 288 Cb -0.39 1.82 2.08 0.00 -0.30 0.00 0.00 42.92 46.13 3i1i s ASP 288 CO 0.39 -0.23 2.19 0.16 -0.17 0.00 0.00 175.17 177.51 3i1i h ILE 289 N 5.45 0.00 0.00 4.11 3.07 -1.75 -0.02 117.51 128.37 3i1i h ILE 289 Ca -0.01 -0.04 0.00 0.00 1.55 0.00 0.00 64.86 66.35 3i1i h ILE 289 Cb 1.19 0.93 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 3i1i h ILE 289 CO 0.09 0.00 -0.26 0.00 -1.05 0.00 0.00 178.15 176.92 3i1i n ALA 290 N -2.01 2.66 -1.72 0.16 0.00 -1.26 -4.84 120.51 113.50 3i1i n ALA 290 Ca -0.02 -0.15 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 3i1i n ALA 290 Cb 0.08 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 3i1i n ALA 290 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i1i n HIS 291 N -1.97 2.68 -0.90 0.00 -0.00 -0.02 -1.40 115.22 113.60 3i1i n HIS 291 Ca 0.05 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.93 3i1i n HIS 291 Cb 0.40 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 27.77 3i1i n HIS 291 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i1i n GLY 292 N 3.27 0.45 3.45 1.57 0.00 -1.26 -5.04 105.19 107.63 3i1i n GLY 292 Ca 0.14 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 3i1i n GLY 292 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1i s PHE 293 N -2.00 0.71 -1.39 1.61 0.08 -0.49 -5.06 117.98 111.43 3i1i s PHE 293 Ca 0.00 -1.01 0.22 0.00 0.12 0.00 0.00 56.93 56.27 3i1i s PHE 293 Cb 0.00 -0.09 0.01 0.00 -0.57 0.00 0.00 43.02 42.38 3i1i s PHE 293 CO 0.00 -0.90 1.08 0.43 -0.10 0.00 0.00 175.22 175.73 3i1i n SER 294 N -0.48 1.27 -3.56 1.36 7.64 -1.26 -4.94 113.62 113.65 3i1i n SER 294 Ca -0.00 -1.06 -0.08 0.00 1.01 0.00 0.00 58.87 58.73 3i1i n SER 294 Cb 0.63 0.67 -0.02 0.00 -1.01 0.00 0.00 64.21 64.49 3i1i n SER 294 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3i1i s SER 295 N -2.79 -0.38 0.26 6.43 1.04 -1.26 -5.00 113.70 112.00 3i1i s SER 295 Ca 0.13 -0.13 -0.04 0.00 0.48 0.00 0.00 55.95 56.40 3i1i s SER 295 Cb 0.17 0.49 0.35 0.00 0.10 0.00 0.00 66.02 67.14 3i1i s SER 295 CO 0.73 -0.83 1.90 0.25 0.98 0.00 0.00 173.24 176.26 3i1i h LEU 296 N 2.00 1.08 -0.22 2.42 5.85 -1.92 -2.52 115.31 122.00 3i1i h LEU 296 Ca -0.25 -0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.50 3i1i h LEU 296 Cb 1.26 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 3i1i h LEU 296 CO 0.31 0.72 -0.03 -0.33 -0.34 0.00 0.00 178.44 178.77 3i1i h GLU 297 N 1.24 0.03 -0.74 1.25 3.07 -1.98 0.69 114.58 118.14 3i1i h GLU 297 Ca 0.41 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 59.24 3i1i h GLU 297 Cb 0.05 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.92 3i1i h GLU 297 CO -0.14 0.02 0.37 1.49 -1.40 0.00 0.00 179.01 179.35 3i1i h GLU 298 N 0.03 1.05 -0.35 2.33 4.81 -1.89 0.11 114.58 120.67 3i1i h GLU 298 Ca 0.10 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3i1i h GLU 298 Cb 0.15 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 3i1i h GLU 298 CO -0.20 0.81 0.20 0.00 -0.73 0.00 0.00 179.01 179.09 3i1i h ALA 299 N 1.18 0.45 0.00 2.92 0.00 -1.14 -2.44 119.26 120.24 3i1i h ALA 299 Ca 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3i1i h ALA 299 Cb 0.09 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3i1i h ALA 299 CO -0.03 -0.03 -0.21 -0.07 0.00 0.00 0.00 179.25 178.90 3i1i h LEU 300 N 0.45 0.00 -2.34 0.00 3.38 -0.23 -2.52 115.31 114.05 3i1i h LEU 300 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i1i h LEU 300 Cb 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i1i h LEU 300 CO -0.02 0.21 -0.01 0.77 0.09 0.00 0.00 178.44 179.48 3i1i h SER 301 N 0.00 0.00 0.63 -0.43 4.64 -0.30 -0.59 113.55 117.50 3i1i h SER 301 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 3i1i h SER 301 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3i1i h SER 301 CO 0.03 0.01 -0.09 0.78 -0.87 0.00 0.00 176.83 176.69 3i1i h ASN 302 N 0.00 0.00 -3.04 4.97 2.35 -1.48 -3.44 115.58 114.94 3i1i h ASN 302 Ca -0.00 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.21 3i1i h ASN 302 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3i1i h ASN 302 CO 0.00 0.09 0.71 -0.69 -1.65 0.00 0.00 177.43 175.89 3i1i s VAL 303 N -3.92 3.76 -0.16 2.81 1.01 -0.23 -4.68 120.40 119.00 3i1i s VAL 303 Ca -0.01 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.22 3i1i s VAL 303 Cb 0.11 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.67 3i1i s VAL 303 CO 0.56 0.05 0.15 -0.62 0.00 0.00 0.00 175.10 175.24 3i1i n GLU 304 N 4.55 5.44 -2.09 2.72 -0.58 -1.26 -5.05 120.64 124.37 3i1i n GLU 304 Ca 0.11 -0.00 -0.35 0.00 -0.42 0.00 0.00 57.16 56.50 3i1i n GLU 304 Cb 0.44 -0.70 0.02 0.00 -0.57 0.00 0.00 31.44 30.64 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 -1.40 2.61 0.28 0.62 0.00 -1.24 -4.97 121.76 117.66 3i1i s ALA 305 Ca 0.01 0.80 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 3i1i s ALA 305 Cb 0.03 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.68 3i1i s ALA 305 CO 0.15 -0.97 1.33 -0.80 0.00 0.00 0.00 175.76 175.47 3i1i s ASN 306 N -1.91 6.80 -0.10 0.00 -0.87 -0.38 -4.77 114.94 113.70 3i1i s ASN 306 Ca 0.72 2.60 0.04 0.00 -1.57 0.00 0.00 52.86 54.65 3i1i s ASN 306 Cb -0.24 -2.63 0.00 0.00 -0.02 0.00 0.00 41.25 38.35 3i1i s ASN 306 CO 0.31 -0.55 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.37 3i1i s VAL 307 N -0.58 2.08 0.36 1.60 1.01 -0.67 -4.32 120.40 119.89 3i1i s VAL 307 Ca 0.53 -1.01 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3i1i s VAL 307 Cb -0.39 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.19 3i1i s VAL 307 CO 0.47 0.56 0.03 -0.11 0.00 0.00 0.00 175.10 176.04 3i1i n LEU 308 N 3.57 0.00 0.00 3.92 7.94 -1.26 -0.98 117.00 130.18 3i1i n LEU 308 Ca -0.19 -2.33 0.00 0.00 -1.11 0.00 0.00 56.01 52.38 3i1i n LEU 308 Cb 0.53 0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.86 3i1i n LEU 308 CO 0.28 -0.34 0.00 -0.38 -1.11 0.00 0.00 177.39 175.84 3i1i n ILE 310 N -0.87 0.00 -2.12 1.96 5.41 -0.22 -1.37 119.36 122.16 3i1i n ILE 310 Ca -0.13 0.00 -0.28 0.00 1.00 0.00 0.00 62.75 63.35 3i1i n ILE 310 Cb 0.47 0.00 0.06 0.00 -0.71 0.00 0.00 39.64 39.46 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 2.48 -0.13 0.38 0.04 -1.25 -0.82 135.00 135.70 3i1i s PRO 311 Ca 0.00 0.04 0.01 0.00 0.04 0.00 0.00 61.00 61.09 3i1i s PRO 311 Cb 0.00 -2.12 -0.01 0.00 0.04 0.00 0.00 34.50 32.41 3i1i s PRO 311 CO 0.00 -1.13 -0.15 0.00 0.04 0.00 0.00 177.00 175.76 3i1i h LYS 313 N 6.80 0.32 -0.38 0.00 3.64 -1.38 -1.41 116.57 124.17 3i1i h LYS 313 Ca -0.25 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3i1i h LYS 313 Cb 1.21 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 3i1i h LYS 313 CO 0.54 0.21 0.00 1.04 -2.27 0.00 0.00 179.45 178.97 3i1i n GLN 314 N -4.46 1.93 -2.32 1.90 3.00 -1.26 -4.87 117.38 111.31 3i1i n GLN 314 Ca 0.12 -1.45 -0.43 0.00 -0.01 0.00 0.00 57.00 55.24 3i1i n GLN 314 Cb 0.50 -1.33 -0.02 0.00 0.00 0.00 0.00 30.24 29.39 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 -1.08 6.46 0.35 1.08 -1.08 -0.53 -4.37 116.67 117.50 3i1i s ASP 315 Ca 0.28 1.15 0.22 0.00 -0.52 0.00 0.00 52.55 53.69 3i1i s ASP 315 Cb 0.15 -2.54 0.21 0.00 -1.46 0.00 0.00 42.92 39.28 3i1i s ASP 315 CO 0.20 -1.27 1.40 -0.07 0.52 0.00 0.00 175.17 175.95 3i1i h LEU 316 N 11.62 0.00 0.16 -1.34 3.38 -1.85 -3.33 115.31 123.96 3i1i h LEU 316 Ca -0.28 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.36 3i1i h LEU 316 Cb 1.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.87 3i1i h LEU 316 CO 1.05 0.03 -1.61 -0.07 0.09 0.00 0.00 178.44 177.92 3i1i h LEU 317 N 0.00 0.55 -6.71 1.67 3.38 -1.91 -3.43 115.31 108.86 3i1i h LEU 317 Ca -0.00 -0.75 -0.60 0.00 0.09 0.00 0.00 57.88 56.61 3i1i h LEU 317 Cb 1.02 -0.18 -0.40 0.00 0.09 0.00 0.00 40.66 41.20 3i1i h LEU 317 CO 0.00 1.62 -0.79 -1.10 0.09 0.00 0.00 178.44 178.27 3i1i s GLN 318 N -2.60 1.63 0.23 1.13 -1.52 -1.26 -4.67 119.66 112.60 3i1i s GLN 318 Ca -0.12 -2.67 -0.32 0.00 -1.95 0.00 0.00 55.36 50.30 3i1i s GLN 318 Cb 0.06 -2.35 -0.12 0.00 -0.22 0.00 0.00 33.01 30.37 3i1i s GLN 318 CO 0.87 -1.34 1.61 -2.30 -0.25 0.00 0.00 175.29 173.88 3i1i n PRO 319 N 2.46 2.52 0.11 2.91 -0.02 -1.25 -4.78 135.00 136.95 3i1i n PRO 319 Ca 0.25 0.90 0.12 0.00 -2.02 0.00 0.00 63.50 62.75 3i1i n PRO 319 Cb 0.42 -2.69 0.45 0.00 -0.02 0.00 0.00 33.50 31.66 3i1i n PRO 319 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3i1i n SER 320 N 3.02 0.70 0.07 2.55 3.41 -1.26 -3.21 113.62 118.90 3i1i n SER 320 Ca 0.13 0.62 0.18 0.00 -0.26 0.00 0.00 58.87 59.54 3i1i n SER 320 Cb 0.34 -0.79 0.69 0.00 -0.26 0.00 0.00 64.21 64.19 3i1i n SER 320 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 3i1i h ARG 321 N 0.00 0.00 0.00 4.33 0.11 -1.98 -0.97 114.38 115.88 3i1i h ARG 321 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 3i1i h ARG 321 Cb 0.54 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.62 3i1i h ARG 321 CO 0.00 0.00 -0.02 1.88 0.10 0.00 0.00 179.97 181.93 3i1i h TYR 322 N 0.00 0.00 -0.40 4.08 0.05 -1.94 -2.61 116.97 116.14 3i1i h TYR 322 Ca 0.19 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.92 3i1i h TYR 322 Cb 0.79 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.51 3i1i h TYR 322 CO 0.00 0.02 0.06 -0.91 -1.05 0.00 0.00 178.16 176.28 3i1i h ASN 323 N 0.00 0.64 -0.45 3.88 -0.26 -1.39 -3.23 115.58 114.76 3i1i h ASN 323 Ca -0.00 -0.26 -0.03 0.00 -0.56 0.00 0.00 56.30 55.45 3i1i h ASN 323 Cb 0.90 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.97 3i1i h ASN 323 CO 0.00 0.74 0.15 1.88 -1.06 0.00 0.00 177.43 179.14 3i1i h TYR 324 N 0.52 0.72 0.00 1.19 0.05 -1.44 -1.21 116.97 116.80 3i1i h TYR 324 Ca 0.12 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3i1i h TYR 324 Cb 0.37 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 37.90 3i1i h TYR 324 CO 0.03 0.64 0.00 1.17 -1.05 0.00 0.00 178.16 178.95 3i1i n LYS 325 N -4.55 0.00 0.00 4.88 4.81 -1.01 -0.43 118.16 121.86 3i1i n LYS 325 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3i1i n LYS 325 Cb 0.18 -1.09 0.00 0.00 0.02 0.00 0.00 35.03 34.14 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 0.61 0.00 -0.22 3.15 0.31 -0.46 -1.52 118.33 120.20 3i1i n VAL 327 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1i n VAL 327 Cb 0.00 0.00 0.12 0.00 -0.91 0.00 0.00 33.84 33.05 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 0.39 -0.52 4.52 3.58 -0.99 -0.86 116.42 122.54 3i1i h ASP 328 Ca 0.00 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 57.41 3i1i h ASP 328 Cb 0.00 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3i1i h ASP 328 CO 0.00 0.23 -0.05 -0.07 -2.88 0.00 0.00 179.24 176.47 3i1i h LEU 329 N 0.54 0.96 -0.64 2.28 3.38 -1.52 -1.71 115.31 118.61 3i1i h LEU 329 Ca 0.32 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3i1i h LEU 329 Cb 0.33 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3i1i h LEU 329 CO -0.26 1.05 0.26 -0.07 0.09 0.00 0.00 178.44 179.51 3i1i h LEU 330 N 0.89 0.87 -0.79 1.67 3.38 -1.73 -2.75 115.31 116.85 3i1i h LEU 330 Ca 0.15 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 3i1i h LEU 330 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3i1i h LEU 330 CO 0.04 0.80 -0.17 1.56 0.09 0.00 0.00 178.44 180.76 3i1i h GLN 331 N 0.89 0.73 0.00 1.13 4.20 -0.96 -1.53 115.11 119.58 3i1i h GLN 331 Ca 0.21 -0.26 -0.03 0.00 0.06 0.00 0.00 58.65 58.64 3i1i h GLN 331 Cb 0.19 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3i1i h GLN 331 CO -0.02 0.85 -0.12 0.87 -0.67 0.00 0.00 178.83 179.74 3i1i h LYS 332 N 0.65 0.00 -0.09 1.46 1.57 -1.04 0.12 116.57 119.24 3i1i h LYS 332 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3i1i h LYS 332 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.96 3i1i h LYS 332 CO 0.05 0.12 0.00 1.04 -0.57 0.00 0.00 179.45 180.09 3i1i n GLN 333 N -3.47 1.20 -1.43 3.15 6.02 -0.81 -4.89 117.38 117.15 3i1i n GLN 333 Ca -0.01 -0.32 -0.05 0.00 -0.01 0.00 0.00 57.00 56.61 3i1i n GLN 333 Cb 0.28 -1.08 -0.02 0.00 1.02 0.00 0.00 30.24 30.44 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 0.65 0.62 3.96 1.08 0.00 0.40 -5.04 105.19 106.86 3i1i n GLY 334 Ca 0.04 -0.77 -0.24 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.98 3.45 -0.43 1.61 1.02 -0.64 -4.99 119.74 116.78 3i1i s LYS 335 Ca 0.00 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.08 3i1i s LYS 335 Cb 0.00 -2.90 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3i1i s LYS 335 CO 0.00 0.45 0.95 -0.47 -0.92 0.00 0.00 175.35 175.36 3i1i s TYR 336 N -1.90 2.97 -0.06 3.18 5.04 -1.26 -4.09 117.35 121.23 3i1i s TYR 336 Ca 0.35 0.57 -0.05 0.00 -2.44 0.00 0.00 57.07 55.50 3i1i s TYR 336 Cb -0.10 -3.90 0.02 0.00 0.35 0.00 0.00 41.96 38.33 3i1i s TYR 336 CO 0.29 -1.02 0.16 0.00 -1.34 0.00 0.00 175.55 173.65 3i1i s ALA 337 N 3.73 -0.39 0.02 3.97 0.00 -1.26 -1.67 121.76 126.17 3i1i s ALA 337 Ca 0.39 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 3i1i s ALA 337 Cb -0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 3i1i s ALA 337 CO 0.24 -0.09 -0.01 -1.83 0.00 0.00 0.00 175.76 174.07 3i1i s GLU 338 N 0.22 0.30 -0.22 0.00 -1.05 -0.16 -4.91 118.70 112.89 3i1i s GLU 338 Ca -0.01 -0.55 -0.11 0.00 -0.15 0.00 0.00 54.97 54.15 3i1i s GLU 338 Cb -0.02 0.11 -0.05 0.00 -0.44 0.00 0.00 34.13 33.73 3i1i s GLU 338 CO -0.01 -0.05 0.17 0.08 0.95 0.00 0.00 175.26 176.40 3i1i s VAL 339 N -1.35 5.36 -0.45 1.83 1.01 -1.26 -4.29 120.40 121.25 3i1i s VAL 339 Ca -0.15 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.07 3i1i s VAL 339 Cb -0.09 -3.51 0.12 0.00 0.00 0.00 0.00 36.38 32.90 3i1i s VAL 339 CO -0.01 0.37 0.21 -0.47 0.00 0.00 0.00 175.10 175.20 3i1i s TYR 340 N 0.85 3.53 -0.08 5.22 5.04 -1.26 -5.02 117.35 125.62 3i1i s TYR 340 Ca 0.09 -2.82 -0.22 0.00 -2.44 0.00 0.00 57.07 51.67 3i1i s TYR 340 Cb -0.13 -3.04 -0.04 0.00 0.35 0.00 0.00 41.96 39.10 3i1i s TYR 340 CO 0.03 -0.89 0.64 -2.00 -1.34 0.00 0.00 175.55 171.98 3i1i s GLU 341 N 0.55 4.41 0.35 4.97 2.12 -1.26 -3.83 118.70 126.01 3i1i s GLU 341 Ca 0.12 0.76 0.07 0.00 0.36 0.00 0.00 54.97 56.29 3i1i s GLU 341 Cb -0.22 -3.44 -0.02 0.00 0.26 0.00 0.00 34.13 30.71 3i1i s GLU 341 CO -0.04 0.09 0.40 0.96 -0.54 0.00 0.00 175.26 176.12 3i1i s ILE 342 N 0.75 3.61 -0.01 -3.70 -4.36 -0.44 -4.93 121.20 112.11 3i1i s ILE 342 Ca 0.34 -1.19 0.03 0.00 -0.26 0.00 0.00 60.65 59.58 3i1i s ILE 342 Cb -0.17 -3.24 -0.01 0.00 1.25 0.00 0.00 42.46 40.30 3i1i s ILE 342 CO 0.16 -0.13 -0.11 -1.61 0.24 0.00 0.00 174.94 173.49 3i1i s GLU 343 N -4.11 0.92 -0.29 0.37 2.02 -1.26 -0.90 118.70 115.45 3i1i s GLU 343 Ca 0.45 -0.38 -0.24 0.00 0.02 0.00 0.00 54.97 54.81 3i1i s GLU 343 Cb -0.07 -0.88 0.15 0.00 0.10 0.00 0.00 34.13 33.43 3i1i s GLU 343 CO 0.29 0.21 1.19 0.45 0.02 0.00 0.00 175.26 177.42 3i1i s SER 344 N -0.16 -0.30 0.65 -0.19 0.15 -1.26 -4.99 113.70 107.60 3i1i s SER 344 Ca 0.03 0.57 0.42 0.00 0.70 0.00 0.00 55.95 57.66 3i1i s SER 344 Cb -0.05 0.61 2.25 0.00 -1.71 0.00 0.00 66.02 67.12 3i1i s SER 344 CO -0.00 -0.10 2.32 -0.29 1.20 0.00 0.00 173.24 176.37 3i1i h ILE 345 N 3.50 0.07 0.00 6.45 2.10 -1.98 -1.25 117.51 126.40 3i1i h ILE 345 Ca -0.28 -0.07 0.00 0.00 1.08 0.00 0.00 64.86 65.60 3i1i h ILE 345 Cb 1.18 1.06 0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3i1i h ILE 345 CO 0.14 0.00 0.00 0.59 -1.08 0.00 0.00 178.15 177.80 3i1i n ASN 346 N -3.18 0.00 0.00 2.19 3.02 -1.26 -1.89 115.26 114.14 3i1i n ASN 346 Ca -0.03 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3i1i n ASN 346 Cb 0.10 -0.23 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 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 0.38 3.32 1.64 7.41 0.00 -0.47 -3.25 105.19 114.21 3i1i n GLY 347 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.09 -4.32 115.22 125.43 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 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 29.89 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 1.13 0.00 0.31 1.57 0.00 -1.20 -4.43 120.51 117.90 3i1i n ALA 350 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 3i1i n ALA 350 Cb 0.00 0.00 1.12 0.00 0.00 0.00 0.00 19.45 20.57 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 0.15 103.07 101.31 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 -1.66 -0.62 0.00 0.00 0.00 176.54 174.26 3i1i n VAL 352 N -2.97 0.67 0.41 4.60 0.31 -1.26 -4.77 118.33 115.32 3i1i n VAL 352 Ca -0.03 -0.26 0.11 0.00 -0.01 0.00 0.00 64.34 64.16 3i1i n VAL 352 Cb 0.08 -0.91 0.04 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.83 0.51 -2.31 3.52 3.72 -1.18 -4.50 117.46 114.40 3i1i n PHE 353 Ca -0.20 0.15 -0.26 0.00 -0.05 0.00 0.00 57.45 57.08 3i1i n PHE 353 Cb 0.72 -0.64 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.21 4.88 -0.31 4.37 9.92 0.53 -4.81 116.55 128.92 3i1i n ASP 354 Ca 0.01 -3.73 0.16 0.00 -0.53 0.00 0.00 54.79 50.70 3i1i n ASP 354 Cb 0.48 -0.44 0.33 0.00 -0.64 0.00 0.00 41.12 40.84 3i1i n ASP 354 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 3i1i h ILE 355 N 2.42 0.25 -0.02 0.53 5.03 -1.79 0.75 117.51 124.69 3i1i h ILE 355 Ca 0.33 -0.06 0.00 0.00 -0.12 0.00 0.00 64.86 65.01 3i1i h ILE 355 Cb 1.09 0.06 -0.00 0.00 -3.03 0.00 0.00 36.82 34.94 3i1i h ILE 355 CO 0.84 0.03 0.09 0.45 -0.68 0.00 0.00 178.15 178.89 3i1i h HIS 356 N 0.18 0.00 0.00 1.37 3.86 -1.95 -0.88 115.15 117.74 3i1i h HIS 356 Ca 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.81 3i1i h HIS 356 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 3i1i h HIS 356 CO -0.25 0.00 0.00 -0.07 0.86 0.00 0.00 177.93 178.47 3i1i h LEU 357 N 0.00 0.00 -0.40 2.43 3.38 -1.23 -3.36 115.31 116.12 3i1i h LEU 357 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i1i h LEU 357 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3i1i h LEU 357 CO -0.00 0.00 0.00 2.22 0.09 0.00 0.00 178.44 180.75 3i1i n PHE 358 N -2.41 0.00 -0.18 1.13 1.16 -0.45 -4.89 117.46 111.81 3i1i n PHE 358 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.60 3i1i n PHE 358 Cb 0.27 0.04 0.23 0.00 -1.61 0.00 0.00 39.48 38.41 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 0.92 -0.34 3.97 4.11 -1.40 -1.29 114.58 120.55 3i1i h GLU 359 Ca 0.00 -0.10 -0.14 0.00 0.07 0.00 0.00 59.36 59.20 3i1i h GLU 359 Cb 0.82 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3i1i h GLU 359 CO 0.00 0.68 -0.32 -0.22 0.07 0.00 0.00 179.01 179.22 3i1i h LYS 360 N 0.93 0.82 -0.71 1.06 3.64 -1.86 -1.77 116.57 118.68 3i1i h LYS 360 Ca 0.24 -0.42 -0.04 0.00 -1.27 0.00 0.00 60.65 59.16 3i1i h LYS 360 Cb 0.02 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3i1i h LYS 360 CO -0.04 1.06 0.30 -0.22 -2.27 0.00 0.00 179.45 178.28 3i1i h LYS 361 N 0.61 1.05 -0.44 1.90 1.63 -1.83 -1.60 116.57 117.88 3i1i h LYS 361 Ca 0.06 -0.18 0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3i1i h LYS 361 Cb 0.90 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 3i1i h LYS 361 CO 0.08 0.86 0.24 0.28 -3.45 0.00 0.00 179.45 177.45 3i1i h VAL 362 N 1.01 1.00 -0.08 2.00 2.07 -1.00 -1.00 116.25 120.24 3i1i h VAL 362 Ca 0.24 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.62 3i1i h VAL 362 Cb 0.18 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3i1i h VAL 362 CO -0.02 0.09 -0.06 0.22 0.02 0.00 0.00 177.57 177.81 3i1i h TYR 363 N 0.47 -0.14 -0.49 1.57 3.20 -0.95 -0.36 116.97 120.28 3i1i h TYR 363 Ca 0.18 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.05 3i1i h TYR 363 Cb 0.06 0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3i1i h TYR 363 CO -0.09 -0.09 0.25 1.49 -1.64 0.00 0.00 178.16 178.08 3i1i h GLU 364 N -0.06 0.70 -0.78 1.82 4.81 -1.14 -2.76 114.58 117.17 3i1i h GLU 364 Ca 0.05 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 3i1i h GLU 364 Cb 0.14 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3i1i h GLU 364 CO -0.13 0.57 0.42 0.35 -0.73 0.00 0.00 179.01 179.50 3i1i h PHE 365 N 0.65 1.06 0.00 0.92 3.57 -0.79 -0.89 116.94 121.46 3i1i h PHE 365 Ca 0.17 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.64 3i1i h PHE 365 Cb 0.10 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 3i1i h PHE 365 CO -0.01 0.74 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.71 3i1i h LEU 366 N 1.09 0.00 0.00 0.59 3.38 -0.79 -3.07 115.31 116.50 3i1i h LEU 366 Ca 0.27 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.05 3i1i h LEU 366 Cb 0.03 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 3i1i h LEU 366 CO -0.04 0.02 -1.97 0.59 0.09 0.00 0.00 178.44 177.13 3i1i n ASN 367 N -3.13 0.26 -4.71 -0.43 3.02 -0.93 -4.92 115.26 104.42 3i1i n ASN 367 Ca 0.00 0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 54.25 3i1i n ASN 367 Cb 0.29 1.05 -0.03 0.00 -0.61 0.00 0.00 39.78 40.48 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 -2.94 4.13 0.66 3.52 3.52 -0.38 -4.97 118.95 122.49 3i1i s ARG 368 Ca -0.07 2.58 -0.16 0.00 -0.13 0.00 0.00 55.73 57.95 3i1i s ARG 368 Cb 0.09 -3.22 -0.00 0.00 -1.56 0.00 0.00 34.95 30.26 3i1i s ARG 368 CO 0.85 -0.76 1.14 0.15 -0.81 0.00 0.00 175.30 175.87 3i1i s LYS 369 N 1.59 2.73 -0.07 5.12 1.02 -1.26 -4.99 119.74 123.87 3i1i s LYS 369 Ca 0.76 1.55 0.02 0.00 0.02 0.00 0.00 55.97 58.32 3i1i s LYS 369 Cb -0.48 -1.93 -0.02 0.00 -0.52 0.00 0.00 37.83 34.88 3i1i s LYS 369 CO 0.33 -1.34 -0.12 0.14 -0.92 0.00 0.00 175.35 173.44 3i1i s VAL 370 N -2.11 3.21 0.01 3.17 -7.23 -1.26 -5.08 120.40 111.11 3i1i s VAL 370 Ca 0.70 -0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 59.92 3i1i s VAL 370 Cb -0.24 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 34.33 3i1i s VAL 370 CO 0.40 0.57 1.86 -0.44 -0.31 0.00 0.00 175.10 177.18 3i1i s SER 371 N -0.46 6.52 0.00 4.85 0.01 -1.26 -5.16 113.70 118.20 3i1i s SER 371 Ca 0.06 2.55 0.00 0.00 1.31 0.00 0.00 55.95 59.86 3i1i s SER 371 Cb -0.12 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.58 3i1i s SER 371 CO 0.02 -1.01 0.00 -1.20 0.41 0.00 0.00 173.24 171.46