#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i0x n ASP 2 N 0.00 4.31 -3.58 6.12 10.43 -0.18 -4.88 116.55 128.77 3i0x n ASP 2 Ca 0.00 -3.12 -0.11 0.00 2.57 0.00 0.00 54.79 54.13 3i0x n ASP 2 Cb 0.00 -0.80 -0.04 0.00 1.84 0.00 0.00 41.12 42.12 3i0x n ASP 2 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 3i0x s PHE 3 N -2.25 -0.31 -0.04 1.24 -0.12 -1.26 -1.12 117.98 114.13 3i0x s PHE 3 Ca 0.39 0.09 -0.02 0.00 -0.05 0.00 0.00 56.93 57.34 3i0x s PHE 3 Cb 0.32 0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 43.03 3i0x s PHE 3 CO 0.05 -0.71 -0.04 -0.44 -0.05 0.00 0.00 175.22 174.03 3i0x h ASP 4 N 2.41 0.00 -3.88 1.98 3.45 -1.20 -3.49 116.42 115.69 3i0x h ASP 4 Ca -0.33 0.00 -0.25 0.00 0.43 0.00 0.00 57.03 56.88 3i0x h ASP 4 Cb 1.26 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.97 3i0x h ASP 4 CO 0.44 0.21 -0.09 0.23 -1.57 0.00 0.00 179.24 178.46 3i0x n MET 5 N -2.92 0.78 -4.20 3.56 2.81 -1.25 -5.01 117.12 110.88 3i0x n MET 5 Ca -0.02 -2.75 -0.17 0.00 -1.81 0.00 0.00 57.70 52.95 3i0x n MET 5 Cb 0.07 2.74 -0.11 0.00 -0.71 0.00 0.00 33.22 35.21 3i0x n MET 5 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 3i0x s ILE 6 N -2.72 1.17 -0.14 2.02 -4.36 -1.26 -0.18 121.20 115.74 3i0x s ILE 6 Ca 0.27 -1.58 0.00 0.00 -0.26 0.00 0.00 60.65 59.08 3i0x s ILE 6 Cb -0.02 -1.36 0.02 0.00 1.25 0.00 0.00 42.46 42.36 3i0x s ILE 6 CO 0.20 -0.40 -0.11 -0.70 0.24 0.00 0.00 174.94 174.17 3i0x s GLU 7 N -2.44 1.96 -0.18 0.37 2.12 0.22 -4.96 118.70 115.80 3i0x s GLU 7 Ca 0.05 -0.45 -0.28 0.00 0.36 0.00 0.00 54.97 54.65 3i0x s GLU 7 Cb -0.06 -1.91 -0.00 0.00 0.26 0.00 0.00 34.13 32.42 3i0x s GLU 7 CO 0.02 -0.26 0.97 -2.00 -0.54 0.00 0.00 175.26 173.45 3i0x s GLU 8 N 1.58 4.31 0.31 4.30 2.12 -1.26 -0.73 118.70 129.33 3i0x s GLU 8 Ca 0.05 1.27 0.05 0.00 0.36 0.00 0.00 54.97 56.69 3i0x s GLU 8 Cb -0.13 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.71 3i0x s GLU 8 CO -0.10 -0.46 0.38 1.63 -0.54 0.00 0.00 175.26 176.18 3i0x n LYS 9 N 5.65 0.85 0.27 4.30 4.76 0.16 -4.99 118.16 129.16 3i0x n LYS 9 Ca 0.09 -1.74 -0.16 0.00 -2.87 0.00 0.00 58.31 53.63 3i0x n LYS 9 Cb 0.48 -0.05 -0.08 0.00 -1.84 0.00 0.00 35.03 33.53 3i0x n LYS 9 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 3i0x h LYS 10 N 0.00 -0.63 0.00 1.97 3.11 -1.96 -3.34 116.57 115.72 3i0x h LYS 10 Ca -0.16 0.04 -0.02 0.00 -2.81 0.00 0.00 60.65 57.70 3i0x h LYS 10 Cb 0.68 0.14 -0.05 0.00 -1.00 0.00 0.00 32.23 32.01 3i0x h LYS 10 CO 0.23 -0.37 -0.55 -0.25 -2.81 0.00 0.00 179.45 175.70 3i0x n ASP 11 N -5.32 1.64 -3.61 4.20 8.00 -1.26 -5.04 116.55 115.15 3i0x n ASP 11 Ca -0.11 -3.65 -0.02 0.00 0.71 0.00 0.00 54.79 51.72 3i0x n ASP 11 Cb 0.30 -0.50 -0.00 0.00 -0.02 0.00 0.00 41.12 40.90 3i0x n ASP 11 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i0x s SER 12 N -3.07 -0.09 -0.04 -2.24 1.04 -1.25 -1.00 113.70 107.05 3i0x s SER 12 Ca 0.37 -0.44 0.03 0.00 0.48 0.00 0.00 55.95 56.39 3i0x s SER 12 Cb 0.37 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.91 3i0x s SER 12 CO -0.08 -0.80 -0.11 -0.69 0.98 0.00 0.00 173.24 172.54 3i0x s VAL 13 N -2.74 0.94 -0.23 5.02 1.01 -0.50 0.41 120.40 124.31 3i0x s VAL 13 Ca 0.16 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.64 3i0x s VAL 13 Cb -0.01 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 3i0x s VAL 13 CO 0.02 0.29 0.07 -0.63 0.00 0.00 0.00 175.10 174.85 3i0x s ILE 14 N 0.27 4.46 -0.29 2.22 1.01 0.09 -0.65 121.20 128.31 3i0x s ILE 14 Ca -0.05 -0.13 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 3i0x s ILE 14 Cb -0.10 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.27 3i0x s ILE 14 CO 0.01 0.37 0.30 -0.69 0.00 0.00 0.00 174.94 174.93 3i0x s VAL 15 N 1.23 5.23 0.13 2.92 1.01 0.55 -0.61 120.40 130.86 3i0x s VAL 15 Ca 0.05 0.28 -0.21 0.00 0.00 0.00 0.00 61.98 62.10 3i0x s VAL 15 Cb -0.14 -3.66 -0.07 0.00 0.00 0.00 0.00 36.38 32.50 3i0x s VAL 15 CO 0.03 0.13 0.65 -0.13 0.00 0.00 0.00 175.10 175.79 3i0x s ARG 16 N 1.93 4.29 -1.10 2.72 1.81 0.75 -1.52 118.95 127.84 3i0x s ARG 16 Ca 0.11 0.86 -0.20 0.00 -1.72 0.00 0.00 55.73 54.78 3i0x s ARG 16 Cb -0.16 -3.15 -0.00 0.00 -0.45 0.00 0.00 34.95 31.19 3i0x s ARG 16 CO 0.11 0.56 0.76 -1.71 -0.68 0.00 0.00 175.30 174.34 3i0x n ASN 17 N 1.42 -5.33 -4.76 0.23 2.85 -1.00 -1.12 115.26 107.55 3i0x n ASN 17 Ca -0.07 -0.99 -0.39 0.00 -0.11 0.00 0.00 54.58 53.01 3i0x n ASN 17 Cb 0.50 -3.16 -0.05 0.00 1.24 0.00 0.00 39.78 38.31 3i0x n ASN 17 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3i0x s VAL 18 N -3.40 4.69 0.19 3.44 1.01 0.78 -3.71 120.40 123.39 3i0x s VAL 18 Ca 0.41 1.53 0.09 0.00 0.00 0.00 0.00 61.98 64.02 3i0x s VAL 18 Cb -0.16 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3i0x s VAL 18 CO 0.87 0.42 -0.10 -1.61 0.00 0.00 0.00 175.10 174.68 3i0x s GLU 19 N -0.40 2.03 -1.19 2.72 2.02 -0.27 -4.75 118.70 118.87 3i0x s GLU 19 Ca 0.36 -1.30 -0.14 0.00 0.02 0.00 0.00 54.97 53.91 3i0x s GLU 19 Cb -0.20 -2.14 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 3i0x s GLU 19 CO 0.22 0.43 0.75 0.09 0.02 0.00 0.00 175.26 176.76 3i0x n ASN 20 N 0.01 -4.24 -3.34 -0.19 3.02 -1.26 -4.90 115.26 104.35 3i0x n ASN 20 Ca -0.11 -0.96 -0.12 0.00 -0.03 0.00 0.00 54.58 53.37 3i0x n ASN 20 Cb 0.56 -3.59 -0.07 0.00 -0.61 0.00 0.00 39.78 36.06 3i0x n ASN 20 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3i0x s PHE 21 N -3.55 -0.81 -0.08 3.10 5.36 -1.26 -4.60 117.98 116.15 3i0x s PHE 21 Ca 0.35 0.26 0.02 0.00 -0.96 0.00 0.00 56.93 56.60 3i0x s PHE 21 Cb -0.12 -0.22 0.01 0.00 -0.34 0.00 0.00 43.02 42.35 3i0x s PHE 21 CO 0.85 -0.92 -0.14 -1.21 -1.46 0.00 0.00 175.22 172.34 3i0x s GLU 22 N 2.49 1.98 0.14 10.12 0.41 -0.92 -4.97 118.70 127.94 3i0x s GLU 22 Ca 0.10 -0.50 -0.19 0.00 -0.41 0.00 0.00 54.97 53.97 3i0x s GLU 22 Cb -0.13 -1.63 0.01 0.00 -1.78 0.00 0.00 34.13 30.59 3i0x s GLU 22 CO -0.28 0.02 1.70 -0.07 -0.49 0.00 0.00 175.26 176.14 3i0x h LEU 23 N 7.08 -0.17 -0.41 1.80 3.38 -1.96 -0.99 115.31 124.05 3i0x h LEU 23 Ca -0.29 0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.77 3i0x h LEU 23 Cb 1.19 0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 3i0x h LEU 23 CO 0.47 -0.05 0.23 0.50 0.09 0.00 0.00 178.44 179.68 3i0x h LYS 24 N 0.04 0.45 -0.46 1.13 3.11 -1.95 -0.45 116.57 118.43 3i0x h LYS 24 Ca 0.12 -0.03 0.01 0.00 -2.81 0.00 0.00 60.65 57.94 3i0x h LYS 24 Cb 0.17 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 3i0x h LYS 24 CO -0.23 0.30 0.30 -0.44 -2.81 0.00 0.00 179.45 176.56 3i0x h ASP 25 N 0.46 0.51 0.12 4.20 5.19 -1.77 -0.63 116.42 124.50 3i0x h ASP 25 Ca 0.17 -0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.56 3i0x h ASP 25 Cb 0.03 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 39.42 3i0x h ASP 25 CO -0.09 0.37 -0.06 0.40 -3.12 0.00 0.00 179.24 176.75 3i0x h ILE 26 N 0.61 1.08 0.00 0.35 2.04 -0.90 -3.07 117.51 117.62 3i0x h ILE 26 Ca 0.17 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.12 3i0x h ILE 26 Cb -0.06 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 3i0x h ILE 26 CO -0.04 0.21 -0.23 -0.26 0.00 0.00 0.00 178.15 177.83 3i0x h PHE 27 N -0.59 0.00 -0.20 1.37 0.04 -1.11 -3.34 116.94 113.10 3i0x h PHE 27 Ca -0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.75 3i0x h PHE 27 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3i0x h PHE 27 CO 0.06 0.00 0.00 -0.25 -0.60 0.00 0.00 178.31 177.52 3i0x n ASP 28 N -2.41 2.52 -0.10 2.17 10.43 -0.25 -4.61 116.55 124.30 3i0x n ASP 28 Ca 0.04 -2.00 0.10 0.00 2.57 0.00 0.00 54.79 55.51 3i0x n ASP 28 Cb 0.46 -0.13 0.56 0.00 1.84 0.00 0.00 41.12 43.85 3i0x n ASP 28 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i0x n GLY 30 N 0.87 1.43 0.21 0.00 0.00 -1.26 -4.47 105.19 101.98 3i0x n GLY 30 Ca 0.15 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3i0x n GLY 30 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3i0x h GLN 31 N 3.28 0.00 -5.27 1.61 3.07 -1.89 -3.46 115.11 112.45 3i0x h GLN 31 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 58.65 58.36 3i0x h GLN 31 Cb 0.00 0.00 -0.16 0.00 0.08 0.00 0.00 27.48 27.40 3i0x h GLN 31 CO 0.00 0.19 -0.74 0.00 0.09 0.00 0.00 178.83 178.37 3i0x n PHE 33 N 0.16 0.00 -1.29 0.00 3.72 -1.26 -4.78 117.46 114.02 3i0x n PHE 33 Ca -0.13 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.24 3i0x n PHE 33 Cb 0.59 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 39.35 3i0x n PHE 33 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i0x n ARG 34 N -0.87 2.28 -4.69 -1.08 1.74 -1.26 -4.73 116.66 108.05 3i0x n ARG 34 Ca 0.00 -3.07 -0.33 0.00 -0.77 0.00 0.00 57.85 53.67 3i0x n ARG 34 Cb 0.00 -1.89 -0.13 0.00 -1.02 0.00 0.00 32.46 29.41 3i0x n ARG 34 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3i0x s TRP 35 N -3.13 2.86 -0.08 -1.55 0.52 -1.26 -2.51 118.94 113.79 3i0x s TRP 35 Ca 0.46 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 56.18 3i0x s TRP 35 Cb 0.40 -1.83 0.01 0.00 -1.15 0.00 0.00 33.47 30.90 3i0x s TRP 35 CO 0.04 -0.06 -0.16 -1.58 0.02 0.00 0.00 176.95 175.21 3i0x s HIS 36 N 0.10 1.78 0.16 -1.98 2.46 0.15 -4.95 115.29 113.01 3i0x s HIS 36 Ca -0.04 -0.68 -0.30 0.00 0.47 0.00 0.00 55.06 54.50 3i0x s HIS 36 Cb -0.14 -1.26 -0.08 0.00 -0.13 0.00 0.00 32.58 30.97 3i0x s HIS 36 CO 0.04 -0.32 1.25 0.50 -2.47 0.00 0.00 174.74 173.74 3i0x s ARG 37 N 0.57 4.43 0.50 2.88 3.52 -1.26 -1.42 118.95 128.16 3i0x s ARG 37 Ca -0.16 1.93 -0.00 0.00 -0.13 0.00 0.00 55.73 57.37 3i0x s ARG 37 Cb -0.16 -3.25 0.01 0.00 -1.56 0.00 0.00 34.95 29.99 3i0x s ARG 37 CO 0.05 -0.21 0.73 -0.65 -0.81 0.00 0.00 175.30 174.42 3i0x s GLN 38 N 0.19 2.89 0.30 5.12 -1.52 0.23 -4.95 119.66 121.91 3i0x s GLN 38 Ca 0.56 -0.50 0.03 0.00 -1.95 0.00 0.00 55.36 53.50 3i0x s GLN 38 Cb -0.34 -2.50 0.60 0.00 -0.22 0.00 0.00 33.01 30.56 3i0x s GLN 38 CO 0.35 -0.46 1.85 1.49 -0.25 0.00 0.00 175.29 178.26 3i0x h GLU 39 N 0.22 0.92 -0.05 2.91 4.57 -1.96 -1.40 114.58 119.80 3i0x h GLU 39 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3i0x h GLU 39 Cb 1.27 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 3i0x h GLU 39 CO 0.56 0.61 0.00 0.27 -1.18 0.00 0.00 179.01 179.27 3i0x n ASN 40 N -4.60 0.49 0.00 1.04 0.23 -1.26 -4.89 115.26 106.27 3i0x n ASN 40 Ca 0.18 -1.50 0.00 0.00 -0.53 0.00 0.00 54.58 52.74 3i0x n ASN 40 Cb 0.37 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 3i0x n ASN 40 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3i0x n GLY 41 N 0.89 0.67 3.87 4.83 0.00 -0.53 -5.06 105.19 109.87 3i0x n GLY 41 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 3i0x n GLY 41 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3i0x s ASN 42 N -2.61 4.86 -0.02 1.61 -0.87 -1.26 -4.74 114.94 111.90 3i0x s ASN 42 Ca 0.00 1.02 0.04 0.00 -1.57 0.00 0.00 52.86 52.34 3i0x s ASN 42 Cb 0.00 -1.68 -0.00 0.00 -0.02 0.00 0.00 41.25 39.54 3i0x s ASN 42 CO 0.00 -1.70 -0.14 -0.31 -2.57 0.00 0.00 177.10 172.38 3i0x s TYR 43 N -3.41 1.31 -0.11 2.20 1.51 -0.73 0.74 117.35 118.86 3i0x s TYR 43 Ca 0.60 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.36 3i0x s TYR 43 Cb -0.12 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.84 3i0x s TYR 43 CO 0.51 -0.08 -0.15 0.42 -1.11 0.00 0.00 175.55 175.14 3i0x s ILE 44 N -0.08 2.90 0.13 2.71 1.01 -0.51 -0.41 121.20 126.94 3i0x s ILE 44 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 60.65 59.94 3i0x s ILE 44 Cb -0.08 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3i0x s ILE 44 CO 0.00 0.54 -0.01 -0.83 0.00 0.00 0.00 174.94 174.65 3i0x s GLY 45 N 0.19 0.94 -0.18 6.18 0.00 0.01 -0.67 107.32 113.79 3i0x s GLY 45 Ca -0.09 -1.45 0.01 0.00 0.00 0.00 0.00 44.72 43.19 3i0x s GLY 45 CO 0.05 -1.44 -0.12 -0.42 0.00 0.00 0.00 173.10 171.17 3i0x s ILE 46 N -3.79 1.66 -0.06 0.90 1.09 -1.04 -1.42 121.20 118.53 3i0x s ILE 46 Ca 0.18 -0.87 -0.19 0.00 -1.10 0.00 0.00 60.65 58.68 3i0x s ILE 46 Cb 0.07 -1.65 0.04 0.00 -1.06 0.00 0.00 42.46 39.85 3i0x s ILE 46 CO -0.01 0.30 0.43 0.00 -0.10 0.00 0.00 174.94 175.56 3i0x s ALA 47 N 1.42 -1.08 -1.49 9.38 0.00 -0.68 -4.84 121.76 124.47 3i0x s ALA 47 Ca 0.01 0.78 -0.06 0.00 0.00 0.00 0.00 51.96 52.70 3i0x s ALA 47 Cb -0.15 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.87 3i0x s ALA 47 CO -0.09 -0.27 0.57 1.19 0.00 0.00 0.00 175.76 177.16 3i0x n PHE 48 N 1.60 -1.74 -3.05 0.00 3.72 -1.26 -1.35 117.46 115.38 3i0x n PHE 48 Ca -0.19 0.78 -0.22 0.00 -0.05 0.00 0.00 57.45 57.77 3i0x n PHE 48 Cb 0.56 -3.61 0.01 0.00 -0.94 0.00 0.00 39.48 35.51 3i0x n PHE 48 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3i0x n GLU 49 N -4.42 -3.92 -3.97 -1.08 1.02 -1.26 -4.98 120.64 102.03 3i0x n GLU 49 Ca -0.18 0.73 -0.10 0.00 -0.02 0.00 0.00 57.16 57.59 3i0x n GLU 49 Cb 0.62 -5.51 -0.12 0.00 -0.02 0.00 0.00 31.44 26.42 3i0x n GLU 49 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3i0x s LYS 50 N -5.71 0.28 -0.18 3.49 -0.14 -0.45 -5.01 119.74 112.02 3i0x s LYS 50 Ca 0.29 -0.51 -0.06 0.00 -1.36 0.00 0.00 55.97 54.33 3i0x s LYS 50 Cb -0.14 0.03 -0.03 0.00 -1.68 0.00 0.00 37.83 36.01 3i0x s LYS 50 CO 0.36 -0.03 0.03 0.08 -0.76 0.00 0.00 175.35 175.03 3i0x s VAL 51 N -1.16 4.44 0.04 3.17 1.01 -1.26 -1.68 120.40 124.96 3i0x s VAL 51 Ca -0.12 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3i0x s VAL 51 Cb -0.08 -2.99 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 3i0x s VAL 51 CO -0.01 0.46 -0.08 0.68 0.00 0.00 0.00 175.10 176.15 3i0x s VAL 52 N 0.53 0.55 -0.05 2.92 -7.23 -0.51 -4.79 120.40 111.81 3i0x s VAL 52 Ca 0.01 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 3i0x s VAL 52 Cb -0.13 -0.66 -0.01 0.00 0.56 0.00 0.00 36.38 36.14 3i0x s VAL 52 CO 0.02 -0.40 -0.22 -0.70 -0.31 0.00 0.00 175.10 173.48 3i0x s GLU 53 N -1.68 2.23 -0.07 4.82 2.12 -1.16 -0.81 118.70 124.16 3i0x s GLU 53 Ca -0.09 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.51 3i0x s GLU 53 Cb -0.09 -1.91 -0.01 0.00 0.26 0.00 0.00 34.13 32.38 3i0x s GLU 53 CO 0.00 0.33 -0.23 0.08 -0.54 0.00 0.00 175.26 174.90 3i0x s VAL 54 N -0.09 1.93 -0.02 3.70 1.01 0.45 -0.41 120.40 126.98 3i0x s VAL 54 Ca -0.04 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.00 3i0x s VAL 54 Cb -0.13 -1.65 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 3i0x s VAL 54 CO 0.03 0.54 -0.11 -1.58 0.00 0.00 0.00 175.10 173.98 3i0x s GLN 55 N 0.06 0.95 -0.17 2.72 0.74 -0.39 -1.78 119.66 121.79 3i0x s GLN 55 Ca -0.09 -0.37 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 3i0x s GLN 55 Cb -0.15 -0.90 -0.01 0.00 1.10 0.00 0.00 33.01 33.05 3i0x s GLN 55 CO 0.05 0.20 -0.09 0.21 -0.55 0.00 0.00 175.29 175.11 3i0x s LYS 56 N -0.11 3.39 -0.27 1.67 2.47 -1.26 0.19 119.74 125.83 3i0x s LYS 56 Ca 0.02 -0.65 -0.01 0.00 -1.56 0.00 0.00 55.97 53.76 3i0x s LYS 56 Cb -0.06 -2.80 0.08 0.00 -1.46 0.00 0.00 37.83 33.60 3i0x s LYS 56 CO -0.00 0.04 0.07 0.42 0.16 0.00 0.00 175.35 176.04 3i0x s ILE 57 N 0.81 0.81 0.00 5.43 1.01 0.10 -5.02 121.20 124.35 3i0x s ILE 57 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 60.65 59.50 3i0x s ILE 57 Cb -0.15 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.84 3i0x s ILE 57 CO 0.01 -0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.07 3i0x n GLY 58 N 4.90 2.81 0.64 6.18 0.00 -1.26 -1.66 105.19 116.80 3i0x n GLY 58 Ca -0.05 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.80 3i0x n GLY 58 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i0x n GLU 59 N 13.51 1.82 -4.20 1.61 1.02 -1.26 -4.90 120.64 128.23 3i0x n GLU 59 Ca 0.00 -1.25 -0.30 0.00 -0.02 0.00 0.00 57.16 55.59 3i0x n GLU 59 Cb 0.00 -1.34 -0.09 0.00 -0.02 0.00 0.00 31.44 29.98 3i0x n GLU 59 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3i0x s ASP 60 N -1.27 4.54 -0.11 1.62 1.01 -0.66 -0.15 116.67 121.64 3i0x s ASP 60 Ca 0.29 -0.35 0.03 0.00 0.71 0.00 0.00 52.55 53.23 3i0x s ASP 60 Cb 0.15 -0.92 0.01 0.00 1.01 0.00 0.00 42.92 43.17 3i0x s ASP 60 CO 0.21 0.17 -0.22 -0.69 0.21 0.00 0.00 175.17 174.86 3i0x s VAL 61 N -1.27 1.97 -0.22 -1.27 1.01 -0.58 -0.72 120.40 119.33 3i0x s VAL 61 Ca 0.23 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.19 3i0x s VAL 61 Cb -0.11 -1.73 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 3i0x s VAL 61 CO 0.15 0.54 0.07 -0.69 0.00 0.00 0.00 175.10 175.16 3i0x s VAL 62 N 0.59 4.54 -0.38 2.92 1.01 0.13 -0.33 120.40 128.87 3i0x s VAL 62 Ca -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 61.98 61.70 3i0x s VAL 62 Cb -0.17 -3.08 0.09 0.00 0.00 0.00 0.00 36.38 33.22 3i0x s VAL 62 CO 0.04 0.40 0.17 -0.63 0.00 0.00 0.00 175.10 175.07 3i0x s ILE 63 N 1.00 3.49 0.44 2.22 1.01 0.18 -1.26 121.20 128.29 3i0x s ILE 63 Ca 0.04 -1.70 -0.20 0.00 0.00 0.00 0.00 60.65 58.79 3i0x s ILE 63 Cb -0.14 -3.22 -0.10 0.00 0.01 0.00 0.00 42.46 39.00 3i0x s ILE 63 CO 0.03 -0.49 0.96 -0.31 0.00 0.00 0.00 174.94 175.13 3i0x s TYR 64 N 1.25 3.30 -0.47 3.97 2.02 0.46 -1.41 117.35 126.47 3i0x s TYR 64 Ca 0.03 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 3i0x s TYR 64 Cb -0.22 -2.86 0.00 0.00 -0.40 0.00 0.00 41.96 38.48 3i0x s TYR 64 CO -0.02 -0.20 0.00 -1.71 -1.57 0.00 0.00 175.55 172.05 3i0x n ASN 65 N -0.77 -3.26 -4.11 2.29 5.15 -0.17 -2.98 115.26 111.40 3i0x n ASN 65 Ca 0.07 0.09 -0.08 0.00 -0.60 0.00 0.00 54.58 54.06 3i0x n ASN 65 Cb 0.54 -1.47 -0.10 0.00 -0.53 0.00 0.00 39.78 38.22 3i0x n ASN 65 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 3i0x s ILE 66 N -2.18 0.21 0.52 -1.44 -4.36 -1.26 -4.93 121.20 107.76 3i0x s ILE 66 Ca 0.00 -1.85 0.02 0.00 -0.26 0.00 0.00 60.65 58.56 3i0x s ILE 66 Cb 0.00 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 42.04 3i0x s ILE 66 CO 0.00 -0.83 0.13 -0.46 0.24 0.00 0.00 174.94 174.02 3i0x n ASN 67 N 0.04 3.21 -0.35 4.36 0.23 -1.26 -3.82 115.26 117.67 3i0x n ASN 67 Ca -0.11 -3.13 -0.03 0.00 -0.53 0.00 0.00 54.58 50.77 3i0x n ASN 67 Cb 0.62 0.23 0.10 0.00 -2.08 0.00 0.00 39.78 38.65 3i0x n ASN 67 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 3i0x h GLU 68 N 0.00 1.29 -0.77 -3.83 4.81 -1.95 -1.43 114.58 112.70 3i0x h GLU 68 Ca -0.40 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 58.67 3i0x h GLU 68 Cb 1.28 -0.27 -0.03 0.00 0.63 0.00 0.00 28.75 30.36 3i0x h GLU 68 CO 0.66 0.91 0.35 1.49 -0.73 0.00 0.00 179.01 181.69 3i0x h GLU 69 N 1.30 1.13 -0.26 1.92 4.22 -2.00 -2.06 114.58 118.83 3i0x h GLU 69 Ca 0.34 -0.18 -0.14 0.00 0.08 0.00 0.00 59.36 59.46 3i0x h GLU 69 Cb -0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3i0x h GLU 69 CO -0.06 0.89 -0.40 0.93 -2.18 0.00 0.00 179.01 178.18 3i0x h GLU 70 N 1.10 0.61 -0.45 1.92 5.08 -1.88 -2.07 114.58 118.90 3i0x h GLU 70 Ca 0.26 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3i0x h GLU 70 Cb 0.15 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3i0x h GLU 70 CO -0.03 0.91 0.26 0.35 -1.00 0.00 0.00 179.01 179.50 3i0x h PHE 71 N 0.51 0.61 -0.41 4.33 3.57 -0.93 0.13 116.94 124.74 3i0x h PHE 71 Ca 0.04 -0.01 -0.13 0.00 3.53 0.00 0.00 57.97 61.40 3i0x h PHE 71 Cb 0.92 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3i0x h PHE 71 CO 0.04 0.44 -0.27 0.87 -2.23 0.00 0.00 178.31 177.16 3i0x h LYS 72 N 0.60 0.87 0.00 1.11 1.57 -1.27 0.28 116.57 119.72 3i0x h LYS 72 Ca 0.16 -0.39 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 3i0x h LYS 72 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i0x h LYS 72 CO -0.03 1.03 -1.11 0.09 -0.57 0.00 0.00 179.45 178.86 3i0x n ASN 73 N -4.09 0.66 0.08 0.86 3.02 -0.79 -4.74 115.26 110.26 3i0x n ASN 73 Ca -0.00 0.14 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3i0x n ASN 73 Cb 0.47 0.71 0.00 0.00 -0.61 0.00 0.00 39.78 40.36 3i0x n ASN 73 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3i0x n VAL 74 N -2.39 0.43 0.14 2.41 0.31 0.39 -4.93 118.33 114.69 3i0x n VAL 74 Ca 0.00 0.14 -0.01 0.00 -0.01 0.00 0.00 64.34 64.47 3i0x n VAL 74 Cb 0.51 -0.87 0.24 0.00 -0.91 0.00 0.00 33.84 32.82 3i0x n VAL 74 CO 0.00 0.00 0.00 -0.50 -1.32 0.00 0.00 176.83 175.01 3i0x h TRP 75 N 0.00 0.10 -0.69 3.52 4.06 -1.40 -1.22 115.95 120.32 3i0x h TRP 75 Ca 0.00 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3i0x h TRP 75 Cb 0.00 -0.02 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3i0x h TRP 75 CO 0.00 0.55 0.38 0.66 -3.56 0.00 0.00 178.44 176.47 3i0x h SER 76 N 0.07 0.86 0.34 -3.49 4.64 -0.69 -1.99 113.55 113.29 3i0x h SER 76 Ca 0.00 -0.09 -0.21 0.00 -0.47 0.00 0.00 61.79 61.02 3i0x h SER 76 Cb 0.88 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3i0x h SER 76 CO 0.07 0.71 -0.87 -0.33 -0.87 0.00 0.00 176.83 175.53 3i0x h GLU 77 N 0.95 0.38 -0.71 4.77 4.39 -1.76 -0.97 114.58 121.63 3i0x h GLU 77 Ca 0.24 -0.38 0.09 0.00 0.34 0.00 0.00 59.36 59.66 3i0x h GLU 77 Cb 0.03 0.10 -0.07 0.00 -0.10 0.00 0.00 28.75 28.71 3i0x h GLU 77 CO -0.04 1.05 0.35 -0.92 -1.16 0.00 0.00 179.01 178.29 3i0x h TYR 78 N 0.23 0.63 -0.33 4.33 3.20 -0.78 0.11 116.97 124.35 3i0x h TYR 78 Ca -0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.84 3i0x h TYR 78 Cb 1.49 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.58 3i0x h TYR 78 CO 0.05 0.22 0.00 1.19 -1.64 0.00 0.00 178.16 177.98 3i0x n PHE 79 N -4.87 0.63 -4.09 -3.82 3.72 -0.79 -0.93 117.46 107.31 3i0x n PHE 79 Ca 0.11 -0.27 -0.33 0.00 -0.05 0.00 0.00 57.45 56.91 3i0x n PHE 79 Cb 0.28 -0.09 -0.01 0.00 -0.94 0.00 0.00 39.48 38.72 3i0x n PHE 79 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3i0x n ASP 80 N 0.47 -3.55 0.10 4.37 4.64 0.39 -4.84 116.55 118.13 3i0x n ASP 80 Ca 0.12 -0.93 0.10 0.00 -1.38 0.00 0.00 54.79 52.71 3i0x n ASP 80 Cb 0.42 -3.19 0.44 0.00 -1.04 0.00 0.00 41.12 37.74 3i0x n ASP 80 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3i0x n LEU 81 N -4.49 0.47 0.01 -2.67 4.77 -0.38 -2.60 117.00 112.11 3i0x n LEU 81 Ca 0.03 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.77 3i0x n LEU 81 Cb 0.52 -0.58 0.39 0.00 -2.33 0.00 0.00 43.42 41.42 3i0x n LEU 81 CO 0.81 -0.53 0.66 -1.22 -1.33 0.00 0.00 177.39 175.78 3i0x n TYR 82 N -2.04 0.10 -3.38 -1.77 4.02 -1.26 -1.01 117.16 111.81 3i0x n TYR 82 Ca 0.02 0.03 -0.38 0.00 -0.01 0.00 0.00 57.90 57.56 3i0x n TYR 82 Cb 0.18 -0.42 -0.06 0.00 -0.02 0.00 0.00 39.34 39.03 3i0x n TYR 82 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3i0x s ARG 83 N -3.02 4.14 -0.74 -0.72 6.06 -1.07 -3.09 118.95 120.51 3i0x s ARG 83 Ca 0.12 0.49 -0.23 0.00 -2.50 0.00 0.00 55.73 53.61 3i0x s ARG 83 Cb 0.17 -3.31 0.07 0.00 0.06 0.00 0.00 34.95 31.95 3i0x s ARG 83 CO 0.63 0.47 1.08 0.34 -2.50 0.00 0.00 175.30 175.32 3i0x s ASP 84 N -0.42 6.27 0.22 -2.12 3.68 -1.26 -4.24 116.67 118.80 3i0x s ASP 84 Ca 0.26 -1.11 0.24 0.00 2.13 0.00 0.00 52.55 54.07 3i0x s ASP 84 Cb -0.17 -2.45 0.92 0.00 -1.45 0.00 0.00 42.92 39.78 3i0x s ASP 84 CO 0.13 -1.45 1.72 -1.22 0.13 0.00 0.00 175.17 174.48 3i0x n TYR 85 N 7.88 0.76 -0.19 -5.34 4.02 -1.26 -2.69 117.16 120.34 3i0x n TYR 85 Ca 0.04 0.28 -0.08 0.00 -0.01 0.00 0.00 57.90 58.13 3i0x n TYR 85 Cb 0.47 -0.95 0.05 0.00 -0.02 0.00 0.00 39.34 38.90 3i0x n TYR 85 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 3i0x h GLY 86 N 2.89 1.11 1.25 2.72 0.00 -1.96 -1.05 103.07 108.04 3i0x h GLY 86 Ca 0.00 -0.80 -0.15 0.00 0.00 0.00 0.00 47.33 46.38 3i0x h GLY 86 CO 0.00 0.74 -0.36 0.83 0.00 0.00 0.00 176.54 177.75 3i0x h GLU 87 N 0.94 0.83 -0.10 4.80 5.08 -1.93 -0.97 114.58 123.21 3i0x h GLU 87 Ca 0.17 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 3i0x h GLU 87 Cb 0.55 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 3i0x h GLU 87 CO 0.03 1.05 0.05 0.82 -1.00 0.00 0.00 179.01 179.96 3i0x h ILE 88 N 0.69 1.10 -0.37 3.13 2.04 -1.46 -1.47 117.51 121.16 3i0x h ILE 88 Ca 0.06 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.56 3i0x h ILE 88 Cb 0.92 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 3i0x h ILE 88 CO 0.08 0.09 -0.09 0.11 0.00 0.00 0.00 178.15 178.34 3i0x h LYS 89 N 0.06 0.64 -0.20 2.37 1.57 -1.14 -1.26 116.57 118.61 3i0x h LYS 89 Ca 0.04 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3i0x h LYS 89 Cb 0.10 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.33 3i0x h LYS 89 CO -0.01 0.72 0.09 -0.22 -0.57 0.00 0.00 179.45 179.47 3i0x h LYS 90 N 0.59 0.30 0.02 3.15 3.64 -0.99 0.90 116.57 124.18 3i0x h LYS 90 Ca 0.11 -0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 3i0x h LYS 90 Cb 0.51 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 3i0x h LYS 90 CO 0.03 0.34 -0.01 1.49 -2.27 0.00 0.00 179.45 179.03 3i0x h GLU 91 N 0.19 -0.03 -0.54 1.90 4.22 -1.05 -3.04 114.58 116.23 3i0x h GLU 91 Ca 0.07 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.46 3i0x h GLU 91 Cb 0.15 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 3i0x h GLU 91 CO -0.01 0.14 0.14 -0.07 -2.18 0.00 0.00 179.01 177.04 3i0x h LEU 92 N -0.19 0.76 -0.13 1.64 3.38 -1.17 -2.52 115.31 117.07 3i0x h LEU 92 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i0x h LEU 92 Cb 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i0x h LEU 92 CO 0.00 0.74 0.00 -1.20 0.09 0.00 0.00 178.44 178.08 3i0x n SER 93 N -4.28 0.08 0.26 -0.43 7.64 0.30 -1.60 113.62 115.60 3i0x n SER 93 Ca 0.04 0.53 0.18 0.00 1.01 0.00 0.00 58.87 60.62 3i0x n SER 93 Cb 0.22 -0.54 0.80 0.00 -1.01 0.00 0.00 64.21 63.67 3i0x n SER 93 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3i0x h ARG 94 N 0.00 0.00 -4.87 1.43 3.08 -1.38 -3.37 114.38 109.27 3i0x h ARG 94 Ca 0.00 0.00 -0.69 0.00 0.07 0.00 0.00 59.98 59.36 3i0x h ARG 94 Cb 0.17 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.03 3i0x h ARG 94 CO 0.00 0.00 -0.17 0.34 -1.07 0.00 0.00 179.97 179.07 3i0x s ASP 95 N -5.20 6.20 0.50 7.04 3.68 -0.62 -4.95 116.67 123.32 3i0x s ASP 95 Ca -0.00 -0.72 0.23 0.00 2.13 0.00 0.00 52.55 54.18 3i0x s ASP 95 Cb 0.10 -2.23 1.30 0.00 -1.45 0.00 0.00 42.92 40.63 3i0x s ASP 95 CO 0.46 -0.63 1.98 -0.65 0.13 0.00 0.00 175.17 176.45 3i0x h PRO 96 N 8.77 0.11 0.00 4.34 0.11 -1.86 -1.38 132.00 142.10 3i0x h PRO 96 Ca -0.27 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 3i0x h PRO 96 Cb 1.11 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 3i0x h PRO 96 CO 0.83 0.08 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.42 3i0x h LEU 97 N 0.12 0.00 0.00 2.35 3.38 -1.92 -2.97 115.31 116.26 3i0x h LEU 97 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 3i0x h LEU 97 Cb 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 3i0x h LEU 97 CO -0.03 0.20 -1.15 0.18 0.09 0.00 0.00 178.44 177.73 3i0x n LEU 98 N -3.47 0.62 -0.18 1.67 4.77 -0.54 -4.52 117.00 115.36 3i0x n LEU 98 Ca -0.01 0.17 -0.02 0.00 -0.03 0.00 0.00 56.01 56.12 3i0x n LEU 98 Cb 0.38 -0.07 0.05 0.00 -2.33 0.00 0.00 43.42 41.45 3i0x n LEU 98 CO 0.32 -0.08 0.78 0.50 -1.33 0.00 0.00 177.39 177.58 3i0x h LYS 99 N 0.00 0.03 -0.74 3.23 3.64 -1.34 -1.28 116.57 120.12 3i0x h LYS 99 Ca 0.00 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3i0x h LYS 99 Cb 0.90 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.68 3i0x h LYS 99 CO 0.00 0.02 0.49 0.87 -2.27 0.00 0.00 179.45 178.56 3i0x h LYS 100 N 0.03 0.91 -0.18 1.90 1.57 -1.79 0.66 116.57 119.67 3i0x h LYS 100 Ca 0.27 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 3i0x h LYS 100 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3i0x h LYS 100 CO -0.53 0.60 -0.48 0.77 -0.57 0.00 0.00 179.45 179.24 3i0x h SER 101 N 0.93 0.74 -0.28 0.86 0.02 -1.65 -1.99 113.55 112.18 3i0x h SER 101 Ca 0.28 -0.58 -0.01 0.00 -0.84 0.00 0.00 61.79 60.65 3i0x h SER 101 Cb -0.01 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 3i0x h SER 101 CO -0.07 1.18 0.15 0.58 -1.14 0.00 0.00 176.83 177.53 3i0x h VAL 102 N 0.33 1.13 -0.69 2.27 2.07 -0.87 -1.51 116.25 118.98 3i0x h VAL 102 Ca -0.01 -0.36 0.03 0.00 0.82 0.00 0.00 66.70 67.18 3i0x h VAL 102 Cb 1.09 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.68 3i0x h VAL 102 CO 0.10 0.13 0.45 0.44 0.02 0.00 0.00 177.57 178.72 3i0x h ASP 103 N 0.34 0.72 -0.10 0.57 3.32 -0.86 -1.28 116.42 119.12 3i0x h ASP 103 Ca 0.10 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3i0x h ASP 103 Cb 0.08 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3i0x h ASP 103 CO -0.01 0.49 -0.42 0.15 -1.72 0.00 0.00 179.24 177.73 3i0x h PHE 104 N 0.83 0.76 -1.19 4.55 3.57 -0.88 -3.28 116.94 121.31 3i0x h PHE 104 Ca 0.27 -0.23 -0.60 0.00 3.53 0.00 0.00 57.97 60.95 3i0x h PHE 104 Cb 0.06 -0.16 -0.40 0.00 2.79 0.00 0.00 35.95 38.24 3i0x h PHE 104 CO -0.00 0.95 -0.48 0.41 -2.23 0.00 0.00 178.31 176.96 3i0x n GLY 105 N 0.05 6.13 0.35 2.40 0.00 -0.61 -4.83 105.19 108.67 3i0x n GLY 105 Ca -0.02 -2.66 0.17 0.00 0.00 0.00 0.00 46.02 43.51 3i0x n GLY 105 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3i0x h GLU 106 N 2.39 0.00 -0.55 1.61 -0.00 -1.32 -1.91 114.58 114.80 3i0x h GLU 106 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.74 3i0x h GLU 106 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.85 3i0x h GLU 106 CO 0.93 0.00 0.00 0.41 -0.00 0.00 0.00 179.01 180.35 3i0x n GLY 107 N -1.51 1.62 3.76 1.06 0.00 -1.26 -4.66 105.19 104.20 3i0x n GLY 107 Ca 0.04 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 3i0x n GLY 107 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i0x s ILE 108 N -1.49 3.28 0.01 -0.61 1.01 -0.72 -2.16 121.20 120.51 3i0x s ILE 108 Ca 0.35 1.26 0.01 0.00 0.00 0.00 0.00 60.65 62.27 3i0x s ILE 108 Cb 0.20 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 3i0x s ILE 108 CO 0.21 0.29 -0.04 -0.13 0.00 0.00 0.00 174.94 175.27 3i0x s ARG 109 N -1.41 0.31 -0.44 2.79 0.52 -1.26 -4.91 118.95 114.55 3i0x s ARG 109 Ca 0.47 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 55.19 3i0x s ARG 109 Cb -0.34 -0.22 0.02 0.00 0.52 0.00 0.00 34.95 34.93 3i0x s ARG 109 CO 0.44 0.05 0.75 0.42 0.02 0.00 0.00 175.30 176.98 3i0x s ILE 110 N -0.41 4.70 0.62 1.52 -1.09 -1.26 -4.84 121.20 120.44 3i0x s ILE 110 Ca -0.02 0.41 -0.18 0.00 -2.23 0.00 0.00 60.65 58.63 3i0x s ILE 110 Cb -0.03 -4.28 -0.02 0.00 -1.58 0.00 0.00 42.46 36.55 3i0x s ILE 110 CO -0.00 -0.65 1.21 -0.76 -1.23 0.00 0.00 174.94 173.51 3i0x s LEU 111 N 3.15 3.59 -0.77 2.97 1.43 -1.26 -4.48 118.68 123.31 3i0x s LEU 111 Ca 0.28 2.39 -0.12 0.00 -1.03 0.00 0.00 54.13 55.65 3i0x s LEU 111 Cb -0.13 -4.60 0.20 0.00 0.03 0.00 0.00 46.19 41.70 3i0x s LEU 111 CO 0.21 -1.73 0.69 -0.13 0.23 0.00 0.00 176.35 175.62 3i0x s ARG 112 N -3.46 3.36 0.51 1.70 0.52 -0.11 -4.69 118.95 116.78 3i0x s ARG 112 Ca 0.77 -2.43 0.01 0.00 -0.52 0.00 0.00 55.73 53.56 3i0x s ARG 112 Cb -0.30 -4.28 0.02 0.00 0.52 0.00 0.00 34.95 30.90 3i0x s ARG 112 CO 0.36 -1.27 0.73 -0.65 0.02 0.00 0.00 175.30 174.49 3i0x s GLN 113 N 0.21 2.72 0.02 3.54 -0.21 -0.54 -4.55 119.66 120.85 3i0x s GLN 113 Ca 0.17 -0.70 -0.30 0.00 0.02 0.00 0.00 55.36 54.54 3i0x s GLN 113 Cb -0.13 -2.52 -0.06 0.00 1.00 0.00 0.00 33.01 31.30 3i0x s GLN 113 CO -0.07 -0.55 1.38 0.34 -2.12 0.00 0.00 175.29 174.26 3i0x s ASP 114 N -4.35 6.87 0.17 5.90 2.15 -1.26 -4.33 116.67 121.82 3i0x s ASP 114 Ca 0.54 2.12 -0.16 0.00 0.43 0.00 0.00 52.55 55.48 3i0x s ASP 114 Cb -0.10 -2.56 0.12 0.00 -0.30 0.00 0.00 42.92 40.07 3i0x s ASP 114 CO 0.38 -0.69 1.69 -0.65 -0.17 0.00 0.00 175.17 175.74 3i0x h PRO 115 N 7.62 0.09 -0.16 4.34 0.11 -1.94 -0.94 132.00 141.13 3i0x h PRO 115 Ca -0.38 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.73 3i0x h PRO 115 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3i0x h PRO 115 CO 0.89 0.06 0.08 0.35 -0.21 0.00 0.00 178.00 179.17 3i0x h PHE 116 N 0.10 0.15 -0.59 0.65 3.57 -1.97 0.16 116.94 119.01 3i0x h PHE 116 Ca 0.20 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 3i0x h PHE 116 Cb 0.29 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.96 3i0x h PHE 116 CO -0.28 0.09 0.28 1.49 -2.23 0.00 0.00 178.31 177.65 3i0x h GLU 117 N 0.17 0.85 -0.65 1.11 4.81 -1.91 -2.72 114.58 116.24 3i0x h GLU 117 Ca 0.06 -0.13 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 3i0x h GLU 117 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 3i0x h GLU 117 CO -0.04 0.69 0.06 0.82 -0.73 0.00 0.00 179.01 179.81 3i0x h ILE 118 N 0.80 1.27 0.04 2.32 1.08 -0.87 0.36 117.51 122.50 3i0x h ILE 118 Ca 0.20 -1.09 0.02 0.00 -0.39 0.00 0.00 64.86 63.60 3i0x h ILE 118 Cb 0.13 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.54 3i0x h ILE 118 CO -0.02 0.40 -0.21 0.25 -0.69 0.00 0.00 178.15 177.88 3i0x h LEU 119 N 1.01 -0.59 -0.51 1.44 5.85 -0.50 -0.68 115.31 121.32 3i0x h LEU 119 Ca 0.19 0.08 -0.14 0.00 0.84 0.00 0.00 57.88 58.85 3i0x h LEU 119 Cb 0.49 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3i0x h LEU 119 CO 0.02 -0.28 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.50 3i0x h LEU 120 N -0.35 0.95 -0.65 2.25 3.38 -1.39 -2.62 115.31 116.89 3i0x h LEU 120 Ca 0.05 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.66 3i0x h LEU 120 Cb 0.41 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3i0x h LEU 120 CO -0.16 1.16 0.41 0.28 0.09 0.00 0.00 178.44 180.21 3i0x h SER 121 N 0.78 0.68 1.46 -0.43 0.02 -0.60 -2.22 113.55 113.25 3i0x h SER 121 Ca 0.09 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i0x h SER 121 Cb 0.84 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.23 3i0x h SER 121 CO 0.07 0.48 -0.18 -0.26 -1.14 0.00 0.00 176.83 175.81 3i0x h PHE 122 N 0.82 0.00 -0.46 3.45 -1.00 -1.12 -2.16 116.94 116.47 3i0x h PHE 122 Ca 0.26 0.00 -0.14 0.00 2.81 0.00 0.00 57.97 60.90 3i0x h PHE 122 Cb -0.01 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 3i0x h PHE 122 CO -0.04 0.00 -0.26 0.82 -1.61 0.00 0.00 178.31 177.22 3i0x h ILE 123 N 0.00 1.27 0.00 -0.55 2.04 -1.13 -2.49 117.51 116.66 3i0x h ILE 123 Ca 0.00 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.38 3i0x h ILE 123 Cb 0.82 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3i0x h ILE 123 CO 0.00 0.49 -0.26 0.40 0.00 0.00 0.00 178.15 178.78 3i0x h ILE 124 N 0.83 1.18 0.00 -0.67 2.04 -1.17 -3.07 117.51 116.66 3i0x h ILE 124 Ca 0.10 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.07 3i0x h ILE 124 Cb 0.84 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.39 3i0x h ILE 124 CO 0.07 0.25 -0.01 0.77 0.00 0.00 0.00 178.15 179.23 3i0x h SER 125 N 0.00 0.00 -2.01 1.72 4.64 -0.91 -3.43 113.55 113.56 3i0x h SER 125 Ca -0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 3i0x h SER 125 Cb 0.46 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3i0x h SER 125 CO 0.03 0.01 1.01 0.00 -0.87 0.00 0.00 176.83 177.02 3i0x n ALA 126 N -2.10 0.79 -4.04 5.18 0.00 -1.16 -2.02 120.51 117.16 3i0x n ALA 126 Ca -0.00 0.33 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 3i0x n ALA 126 Cb 0.27 -2.44 -0.03 0.00 0.00 0.00 0.00 19.45 17.25 3i0x n ALA 126 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3i0x n ASN 127 N 5.90 -0.60 -4.18 0.00 4.05 -1.26 -4.95 115.26 114.21 3i0x n ASN 127 Ca 0.22 -1.04 -0.11 0.00 0.45 0.00 0.00 54.58 54.10 3i0x n ASN 127 Cb 0.27 -2.82 -0.10 0.00 1.23 0.00 0.00 39.78 38.36 3i0x n ASN 127 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 3i0x s ASN 128 N -4.21 0.68 -0.07 1.20 3.84 -0.86 -5.16 114.94 110.38 3i0x s ASN 128 Ca 0.12 -1.17 -0.03 0.00 0.21 0.00 0.00 52.86 51.98 3i0x s ASN 128 Cb -0.06 0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 40.82 3i0x s ASN 128 CO 0.91 -0.65 0.09 -0.13 -2.79 0.00 0.00 177.10 174.53 3i0x s ARG 129 N -3.98 3.21 0.27 0.43 0.52 -1.26 -5.00 118.95 113.14 3i0x s ARG 129 Ca 0.22 -0.33 -0.00 0.00 -0.52 0.00 0.00 55.73 55.10 3i0x s ARG 129 Cb 0.07 -2.98 0.61 0.00 0.52 0.00 0.00 34.95 33.17 3i0x s ARG 129 CO 0.01 0.71 1.68 0.82 0.02 0.00 0.00 175.30 178.55 3i0x h ILE 130 N 3.68 0.47 -0.99 1.52 2.04 -1.98 -0.37 117.51 121.87 3i0x h ILE 130 Ca -0.52 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.26 3i0x h ILE 130 Cb 1.20 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 37.35 3i0x h ILE 130 CO 0.59 0.06 0.66 -0.65 0.00 0.00 0.00 178.15 178.81 3i0x h PRO 131 N 0.31 1.28 -0.14 2.37 0.11 -2.00 0.22 132.00 134.15 3i0x h PRO 131 Ca 0.49 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 66.38 3i0x h PRO 131 Cb 0.91 -0.29 -0.01 0.00 0.11 0.00 0.00 31.00 31.72 3i0x h PRO 131 CO -0.54 0.85 -0.53 0.52 -0.21 0.00 0.00 178.00 178.09 3i0x h MET 132 N 1.32 0.40 -0.31 1.05 2.86 -1.55 -2.15 114.93 116.55 3i0x h MET 132 Ca 0.37 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3i0x h MET 132 Cb -0.11 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 3i0x h MET 132 CO -0.09 0.83 0.08 0.82 1.06 0.00 0.00 176.91 179.60 3i0x h ILE 133 N 0.31 1.22 -0.74 -1.22 2.04 -0.38 -1.65 117.51 117.09 3i0x h ILE 133 Ca 0.01 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.15 3i0x h ILE 133 Cb 1.03 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.18 3i0x h ILE 133 CO 0.09 0.24 0.48 0.11 0.00 0.00 0.00 178.15 179.07 3i0x h LYS 134 N 0.34 0.98 -0.37 2.37 1.57 -0.87 -1.67 116.57 118.92 3i0x h LYS 134 Ca 0.10 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3i0x h LYS 134 Cb 0.29 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3i0x h LYS 134 CO 0.00 0.66 0.21 0.87 -0.57 0.00 0.00 179.45 180.62 3i0x h LYS 135 N 1.01 0.51 -0.51 3.15 1.57 -1.19 -1.34 116.57 119.77 3i0x h LYS 135 Ca 0.27 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 3i0x h LYS 135 Cb -0.10 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.09 3i0x h LYS 135 CO -0.06 0.41 0.28 0.00 -0.57 0.00 0.00 179.45 179.51 3i0x h ILE 137 N 0.68 1.22 -0.37 0.00 2.04 -1.16 -1.02 117.51 118.90 3i0x h ILE 137 Ca 0.18 -0.71 -0.09 0.00 1.00 0.00 0.00 64.86 65.23 3i0x h ILE 137 Cb 0.04 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3i0x h ILE 137 CO -0.03 0.27 -0.16 -1.13 0.00 0.00 0.00 178.15 177.11 3i0x h ASN 138 N 0.73 0.66 -0.43 1.72 -1.24 -0.99 -1.88 115.58 114.15 3i0x h ASN 138 Ca 0.18 -0.20 -0.06 0.00 0.71 0.00 0.00 56.30 56.93 3i0x h ASN 138 Cb 0.22 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.08 3i0x h ASN 138 CO -0.01 0.83 0.04 0.78 -1.29 0.00 0.00 177.43 177.78 3i0x h ASN 139 N 0.60 0.70 -0.72 1.15 2.35 -0.60 0.78 115.58 119.84 3i0x h ASN 139 Ca 0.10 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.58 3i0x h ASN 139 Cb 0.61 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 3i0x h ASN 139 CO 0.04 0.81 0.47 0.40 -1.65 0.00 0.00 177.43 177.50 3i0x h ILE 140 N 0.57 1.16 -0.40 2.81 2.04 -1.02 -0.08 117.51 122.59 3i0x h ILE 140 Ca 0.13 -0.33 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 3i0x h ILE 140 Cb 0.42 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3i0x h ILE 140 CO 0.01 0.17 0.02 0.28 0.00 0.00 0.00 178.15 178.63 3i0x h SER 141 N 0.96 0.69 -0.45 1.72 0.02 -1.00 -2.52 113.55 112.97 3i0x h SER 141 Ca 0.27 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.87 3i0x h SER 141 Cb -0.08 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3i0x h SER 141 CO -0.07 0.81 0.09 -0.33 -1.14 0.00 0.00 176.83 176.19 3i0x h GLU 142 N 0.54 0.80 -0.39 3.45 5.08 -0.51 0.57 114.58 124.12 3i0x h GLU 142 Ca 0.12 -0.18 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 3i0x h GLU 142 Cb 0.45 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3i0x h GLU 142 CO 0.02 0.75 -0.18 -0.22 -1.00 0.00 0.00 179.01 178.38 3i0x h LYS 143 N 0.77 0.73 0.00 2.33 3.64 -0.80 -3.39 116.57 119.85 3i0x h LYS 143 Ca 0.16 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3i0x h LYS 143 Cb 0.34 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3i0x h LYS 143 CO 0.01 0.86 -0.16 0.00 -2.27 0.00 0.00 179.45 177.88 3i0x n ALA 144 N -2.49 1.35 -2.43 5.00 0.00 -0.97 -5.11 120.51 115.87 3i0x n ALA 144 Ca 0.01 -0.63 -0.24 0.00 0.00 0.00 0.00 53.44 52.58 3i0x n ALA 144 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.69 3i0x n ALA 144 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i0x s GLY 145 N -0.33 1.49 0.35 0.00 0.00 0.20 -4.59 107.32 104.44 3i0x s GLY 145 Ca 0.00 -0.97 -0.27 0.00 0.00 0.00 0.00 44.72 43.48 3i0x s GLY 145 CO 0.00 -0.83 1.13 1.25 0.00 0.00 0.00 173.10 174.65 3i0x s LYS 146 N -4.49 4.31 0.09 2.90 2.20 -1.26 -4.66 119.74 118.82 3i0x s LYS 146 Ca 0.46 1.80 -0.30 0.00 -0.36 0.00 0.00 55.97 57.56 3i0x s LYS 146 Cb -0.10 -2.86 -0.06 0.00 -1.51 0.00 0.00 37.83 33.30 3i0x s LYS 146 CO 0.38 -0.09 1.05 0.15 -0.36 0.00 0.00 175.35 176.48 3i0x s LYS 147 N -1.99 4.58 -0.01 4.03 1.02 -1.26 -1.05 119.74 125.06 3i0x s LYS 147 Ca 0.52 1.58 0.06 0.00 0.02 0.00 0.00 55.97 58.15 3i0x s LYS 147 Cb -0.30 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.63 3i0x s LYS 147 CO 0.39 0.02 -0.18 -0.51 -0.92 0.00 0.00 175.35 174.14 3i0x s LEU 148 N 0.37 2.05 -0.09 3.17 1.43 0.79 -4.95 118.68 121.46 3i0x s LEU 148 Ca 0.51 -0.35 0.02 0.00 -1.03 0.00 0.00 54.13 53.28 3i0x s LEU 148 Cb -0.26 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.02 3i0x s LEU 148 CO 0.31 0.21 -0.13 -0.70 0.23 0.00 0.00 176.35 176.26 3i0x s GLU 149 N -0.53 2.94 -0.22 1.70 2.12 -1.26 0.67 118.70 124.12 3i0x s GLU 149 Ca 0.07 -0.68 -0.08 0.00 0.36 0.00 0.00 54.97 54.64 3i0x s GLU 149 Cb -0.07 -2.51 0.10 0.00 0.26 0.00 0.00 34.13 31.90 3i0x s GLU 149 CO -0.00 0.43 0.48 -0.47 -0.54 0.00 0.00 175.26 175.16 3i0x s TYR 150 N -0.23 -0.93 -1.51 5.30 5.04 -0.49 -4.96 117.35 119.58 3i0x s TYR 150 Ca 0.01 1.72 -0.05 0.00 -2.44 0.00 0.00 57.07 56.31 3i0x s TYR 150 Cb -0.13 0.43 0.04 0.00 0.35 0.00 0.00 41.96 42.65 3i0x s TYR 150 CO 0.03 -0.52 0.45 1.63 -1.34 0.00 0.00 175.55 175.80 3i0x n LYS 151 N 5.31 -2.88 0.00 4.97 5.02 -1.26 -1.94 118.16 127.38 3i0x n LYS 151 Ca -0.10 0.35 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 3i0x n LYS 151 Cb 0.50 -4.53 0.00 0.00 -0.02 0.00 0.00 35.03 30.98 3i0x n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3i0x n GLY 152 N -1.92 1.82 3.52 0.72 0.00 -1.26 -5.04 105.19 103.04 3i0x n GLY 152 Ca -0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 3i0x n GLY 152 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i0x s LYS 153 N -0.40 1.97 -0.22 1.61 1.02 -0.82 -5.11 119.74 117.78 3i0x s LYS 153 Ca 0.00 -1.09 -0.12 0.00 0.02 0.00 0.00 55.97 54.79 3i0x s LYS 153 Cb 0.00 -2.20 -0.05 0.00 -0.52 0.00 0.00 37.83 35.06 3i0x s LYS 153 CO 0.00 0.50 0.22 0.42 -0.92 0.00 0.00 175.35 175.57 3i0x s ILE 154 N -1.14 5.33 0.29 2.17 1.01 -1.26 -1.39 121.20 126.21 3i0x s ILE 154 Ca 0.19 0.32 0.09 0.00 0.00 0.00 0.00 60.65 61.25 3i0x s ILE 154 Cb -0.11 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 3i0x s ILE 154 CO 0.11 0.34 0.09 -0.31 0.00 0.00 0.00 174.94 175.17 3i0x s TYR 155 N 0.98 2.79 -0.13 3.97 2.02 0.21 -4.92 117.35 122.26 3i0x s TYR 155 Ca 0.11 -0.25 0.02 0.00 -0.37 0.00 0.00 57.07 56.57 3i0x s TYR 155 Cb -0.13 -1.40 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 3i0x s TYR 155 CO 0.04 0.49 -0.19 0.71 -1.57 0.00 0.00 175.55 175.03 3i0x s TYR 156 N -2.32 2.44 0.87 2.71 2.02 -1.26 -0.15 117.35 121.66 3i0x s TYR 156 Ca 0.34 -1.24 -0.11 0.00 -0.37 0.00 0.00 57.07 55.69 3i0x s TYR 156 Cb -0.05 -1.69 0.12 0.00 -0.40 0.00 0.00 41.96 39.93 3i0x s TYR 156 CO 0.22 -0.60 1.09 0.00 -1.57 0.00 0.00 175.55 174.70 3i0x s ALA 157 N 0.96 1.66 0.39 3.71 0.00 -0.22 -4.77 121.76 123.49 3i0x s ALA 157 Ca -0.05 0.13 -0.26 0.00 0.00 0.00 0.00 51.96 51.78 3i0x s ALA 157 Cb -0.15 -3.26 -0.09 0.00 0.00 0.00 0.00 23.12 19.63 3i0x s ALA 157 CO -0.03 -2.29 1.16 0.12 0.00 0.00 0.00 175.76 174.71 3i0x s PHE 158 N -2.86 3.12 0.65 0.00 5.36 -1.26 -4.04 117.98 118.95 3i0x s PHE 158 Ca 0.63 1.56 -0.17 0.00 -0.96 0.00 0.00 56.93 58.00 3i0x s PHE 158 Cb -0.19 -3.38 -0.00 0.00 -0.34 0.00 0.00 43.02 39.11 3i0x s PHE 158 CO 0.57 -1.24 1.20 -2.14 -1.46 0.00 0.00 175.22 172.15 3i0x s PRO 159 N -2.23 2.64 0.87 10.12 0.02 -1.26 -4.68 135.00 140.47 3i0x s PRO 159 Ca 0.56 1.76 -0.12 0.00 0.02 0.00 0.00 61.00 63.22 3i0x s PRO 159 Cb -0.30 -1.89 0.11 0.00 0.02 0.00 0.00 34.50 32.43 3i0x s PRO 159 CO 0.38 -1.45 1.11 0.95 -0.33 0.00 0.00 177.00 177.66 3i0x s THR 160 N -1.82 2.60 0.18 0.99 -4.23 -1.26 -4.82 115.64 107.28 3i0x s THR 160 Ca 0.75 0.19 -0.13 0.00 -1.18 0.00 0.00 61.69 61.33 3i0x s THR 160 Cb -0.29 -2.87 0.08 0.00 1.34 0.00 0.00 72.50 70.76 3i0x s THR 160 CO 0.39 -0.25 1.82 0.58 -0.54 0.00 0.00 174.62 176.61 3i0x h VAL 161 N -1.36 1.17 -0.72 2.29 2.07 -1.99 -1.46 116.25 116.25 3i0x h VAL 161 Ca -0.49 -0.38 0.03 0.00 0.82 0.00 0.00 66.70 66.68 3i0x h VAL 161 Cb 1.29 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.40 3i0x h VAL 161 CO 0.59 0.18 0.46 0.44 0.02 0.00 0.00 177.57 179.25 3i0x h ASP 162 N 0.78 0.76 -0.46 0.57 3.45 -1.98 -1.04 116.42 118.49 3i0x h ASP 162 Ca 0.21 -0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.53 3i0x h ASP 162 Cb -0.02 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.57 3i0x h ASP 162 CO -0.04 0.53 -0.22 0.11 -1.57 0.00 0.00 179.24 178.05 3i0x h LYS 163 N 0.90 0.98 0.00 3.56 1.79 -1.86 -3.00 116.57 118.94 3i0x h LYS 163 Ca 0.28 -0.42 -0.05 0.00 -2.18 0.00 0.00 60.65 58.28 3i0x h LYS 163 Cb -0.01 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.60 3i0x h LYS 163 CO -0.10 1.09 -0.26 -0.07 -1.08 0.00 0.00 179.45 179.03 3i0x h LEU 164 N 0.84 0.00 -1.23 2.94 3.38 -0.91 -2.37 115.31 117.97 3i0x h LEU 164 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3i0x h LEU 164 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 3i0x h LEU 164 CO 0.07 0.26 0.00 -0.74 0.09 0.00 0.00 178.44 178.12 3i0x h HIS 165 N 0.00 0.00 0.00 1.13 2.76 -1.05 -1.82 115.15 116.17 3i0x h HIS 165 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 3i0x h HIS 165 Cb 0.70 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.66 3i0x h HIS 165 CO 0.00 0.00 0.00 0.39 -1.30 0.00 0.00 177.93 177.02 3i0x n GLU 166 N -2.59 0.25 -2.23 5.26 1.02 -0.89 -4.85 120.64 116.61 3i0x n GLU 166 Ca 0.01 0.21 -0.41 0.00 -0.02 0.00 0.00 57.16 56.95 3i0x n GLU 166 Cb 0.22 -1.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.82 3i0x n GLU 166 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3i0x s PHE 167 N -3.10 3.23 0.44 -0.32 0.40 -0.69 -5.04 117.98 112.90 3i0x s PHE 167 Ca 0.11 1.45 0.07 0.00 -0.60 0.00 0.00 56.93 57.95 3i0x s PHE 167 Cb 0.13 -3.56 0.01 0.00 0.51 0.00 0.00 43.02 40.11 3i0x s PHE 167 CO 0.59 -1.52 0.60 0.95 0.70 0.00 0.00 175.22 176.54 3i0x s THR 168 N -0.88 2.99 0.31 0.64 -4.23 -1.26 -4.94 115.64 108.26 3i0x s THR 168 Ca 0.49 -0.94 0.01 0.00 -1.18 0.00 0.00 61.69 60.08 3i0x s THR 168 Cb -0.37 -3.02 0.28 0.00 1.34 0.00 0.00 72.50 70.73 3i0x s THR 168 CO 0.47 -0.01 1.93 -0.08 -0.54 0.00 0.00 174.62 176.39 3i0x h GLU 169 N 0.55 0.97 -0.87 3.99 4.81 -1.96 -0.94 114.58 121.13 3i0x h GLU 169 Ca -0.41 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.75 3i0x h GLU 169 Cb 1.28 -0.22 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 3i0x h GLU 169 CO 0.47 0.65 0.49 -0.22 -0.73 0.00 0.00 179.01 179.67 3i0x h LYS 170 N 1.00 1.20 -0.79 1.92 3.64 -1.94 -1.59 116.57 120.02 3i0x h LYS 170 Ca 0.36 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.64 3i0x h LYS 170 Cb 0.15 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 31.69 3i0x h LYS 170 CO -0.13 0.87 0.51 -0.44 -2.27 0.00 0.00 179.45 177.99 3i0x h ASP 171 N 1.21 0.87 -0.29 4.20 3.32 -1.54 -0.06 116.42 124.13 3i0x h ASP 171 Ca 0.31 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 57.24 3i0x h ASP 171 Cb -0.00 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 3i0x h ASP 171 CO -0.05 0.62 -0.18 -0.26 -1.72 0.00 0.00 179.24 177.64 3i0x h PHE 172 N 1.03 0.85 -0.25 4.55 0.04 -1.18 -2.43 116.94 119.54 3i0x h PHE 172 Ca 0.30 -0.18 -0.06 0.00 2.80 0.00 0.00 57.97 60.83 3i0x h PHE 172 Cb -0.06 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 37.86 3i0x h PHE 172 CO -0.02 0.88 -0.12 0.93 -0.60 0.00 0.00 178.31 179.38 3i0x h GLU 173 N 0.67 0.40 -0.12 1.51 5.08 -0.54 0.45 114.58 122.03 3i0x h GLU 173 Ca 0.10 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3i0x h GLU 173 Cb 0.68 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3i0x h GLU 173 CO 0.05 0.53 -0.45 0.93 -1.00 0.00 0.00 179.01 179.07 3i0x h GLU 174 N 0.38 0.29 -0.00 2.33 5.08 -0.64 0.74 114.58 122.75 3i0x h GLU 174 Ca 0.07 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3i0x h GLU 174 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 3i0x h GLU 174 CO 0.02 0.69 -0.03 0.00 -1.00 0.00 0.00 179.01 178.69 3i0x n THR 176 N -1.43 -8.08 1.08 0.00 5.66 0.25 -4.30 114.28 107.46 3i0x n THR 176 Ca 0.09 0.11 0.12 0.00 -3.05 0.00 0.00 64.05 61.32 3i0x n THR 176 Cb 0.31 -6.17 0.16 0.00 -1.55 0.00 0.00 70.33 63.09 3i0x n THR 176 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i0x n ALA 177 N -1.15 2.51 -0.87 1.79 0.00 -0.80 -4.81 120.51 117.18 3i0x n ALA 177 Ca 0.03 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.82 3i0x n ALA 177 Cb 0.44 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3i0x n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i0x n GLY 178 N 1.32 2.88 0.16 0.00 0.00 -1.26 -1.14 105.19 107.15 3i0x n GLY 178 Ca 0.15 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.97 3i0x n GLY 178 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i0x n PHE 179 N 14.00 0.76 0.66 1.61 1.16 -1.26 -1.80 117.46 132.59 3i0x n PHE 179 Ca 0.00 0.37 0.12 0.00 -1.87 0.00 0.00 57.45 56.07 3i0x n PHE 179 Cb 0.00 -1.09 0.46 0.00 -1.61 0.00 0.00 39.48 37.24 3i0x n PHE 179 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 3i0x n ARG 180 N -2.26 0.16 -0.25 3.97 1.74 -0.29 -3.81 116.66 115.92 3i0x n ARG 180 Ca -0.01 0.21 0.05 0.00 -0.77 0.00 0.00 57.85 57.34 3i0x n ARG 180 Cb 0.09 -1.72 0.18 0.00 -1.02 0.00 0.00 32.46 29.99 3i0x n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i0x h ALA 181 N 2.58 1.00 -0.09 7.54 0.00 -1.43 0.30 119.26 129.16 3i0x h ALA 181 Ca 0.00 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3i0x h ALA 181 Cb 0.56 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3i0x h ALA 181 CO 0.00 -0.26 -0.21 1.57 0.00 0.00 0.00 179.25 180.35 3i0x h LYS 182 N 0.37 0.15 -0.33 0.00 2.10 -1.83 -1.46 116.57 115.58 3i0x h LYS 182 Ca 0.41 -0.04 -0.15 0.00 -2.00 0.00 0.00 60.65 58.86 3i0x h LYS 182 Cb 0.65 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.95 3i0x h LYS 182 CO -0.44 0.36 -0.39 1.88 -2.00 0.00 0.00 179.45 178.87 3i0x h TYR 183 N 0.14 1.03 -0.46 0.07 0.05 -1.21 -1.55 116.97 115.03 3i0x h TYR 183 Ca 0.03 -0.32 -0.05 0.00 0.05 0.00 0.00 58.73 58.43 3i0x h TYR 183 Cb 0.46 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3i0x h TYR 183 CO 0.00 1.13 0.10 -0.07 -1.05 0.00 0.00 178.16 178.28 3i0x h LEU 184 N 0.63 0.71 -0.38 3.88 3.38 -0.91 -0.75 115.31 121.87 3i0x h LEU 184 Ca 0.05 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3i0x h LEU 184 Cb 0.98 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3i0x h LEU 184 CO 0.09 0.77 0.04 0.50 0.09 0.00 0.00 178.44 179.93 3i0x h LYS 185 N 0.63 0.64 -0.78 1.13 3.64 -1.22 -0.23 116.57 120.38 3i0x h LYS 185 Ca 0.14 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 3i0x h LYS 185 Cb 0.34 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 3i0x h LYS 185 CO 0.00 0.71 0.40 0.22 -2.27 0.00 0.00 179.45 178.52 3i0x h ASP 186 N 0.48 0.99 -0.31 4.20 1.82 -1.19 -1.79 116.42 120.62 3i0x h ASP 186 Ca 0.11 -0.11 -0.05 0.00 -0.39 0.00 0.00 57.03 56.58 3i0x h ASP 186 Cb 0.40 -0.25 -0.01 0.00 0.68 0.00 0.00 39.33 40.14 3i0x h ASP 186 CO 0.01 0.82 -0.02 0.74 -1.61 0.00 0.00 179.24 179.18 3i0x h THR 187 N 1.08 1.27 -0.50 2.25 2.02 -0.92 -2.18 112.91 115.93 3i0x h THR 187 Ca 0.27 -1.00 -0.04 0.00 0.77 0.00 0.00 66.41 66.41 3i0x h THR 187 Cb 0.07 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 3i0x h THR 187 CO -0.04 0.32 0.14 0.58 0.37 0.00 0.00 175.52 176.89 3i0x h VAL 188 N 0.34 1.21 -0.64 3.16 2.07 -0.90 -1.96 116.25 119.53 3i0x h VAL 188 Ca 0.08 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.80 3i0x h VAL 188 Cb 0.48 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 3i0x h VAL 188 CO 0.02 0.27 0.06 -0.78 0.02 0.00 0.00 177.57 177.16 3i0x h ASP 189 N 0.72 1.06 0.46 0.57 3.58 -1.13 0.43 116.42 122.11 3i0x h ASP 189 Ca 0.16 -0.28 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 3i0x h ASP 189 Cb 0.24 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 3i0x h ASP 189 CO -0.01 1.08 -0.38 0.03 -2.88 0.00 0.00 179.24 177.08 3i0x h ARG 190 N 1.01 0.00 0.00 0.28 3.08 -0.98 -0.50 114.38 117.27 3i0x h ARG 190 Ca 0.19 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 3i0x h ARG 190 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3i0x h ARG 190 CO 0.02 0.38 -0.15 0.82 -1.07 0.00 0.00 179.97 179.97 3i0x h ILE 191 N 0.00 1.60 -0.42 2.04 1.08 -1.07 -0.55 117.51 120.20 3i0x h ILE 191 Ca -0.00 -1.97 0.05 0.00 -0.39 0.00 0.00 64.86 62.54 3i0x h ILE 191 Cb 0.71 2.89 -0.04 0.00 -3.07 0.00 0.00 36.82 37.31 3i0x h ILE 191 CO 0.05 0.53 0.17 0.22 -0.69 0.00 0.00 178.15 178.43 3i0x h TYR 192 N -0.65 0.31 -0.08 1.37 3.20 -0.75 -2.11 116.97 118.26 3i0x h TYR 192 Ca -0.02 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3i0x h TYR 192 Cb 0.95 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 39.14 3i0x h TYR 192 CO 0.20 0.13 0.00 0.27 -1.64 0.00 0.00 178.16 177.12 3i0x n ASN 193 N -4.98 0.72 -0.09 -2.11 2.04 -0.21 -4.91 115.26 105.72 3i0x n ASN 193 Ca 0.03 -1.58 -0.01 0.00 -0.44 0.00 0.00 54.58 52.58 3i0x n ASN 193 Cb 0.14 -0.05 -0.00 0.00 -2.53 0.00 0.00 39.78 37.34 3i0x n ASN 193 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3i0x n GLY 194 N 0.92 0.47 0.28 4.83 0.00 -0.80 -4.92 105.19 105.98 3i0x n GLY 194 Ca 0.14 -0.20 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 3i0x n GLY 194 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i0x h GLU 195 N 0.59 0.95 -5.34 1.61 4.81 -1.35 -3.41 114.58 112.44 3i0x h GLU 195 Ca -0.02 -0.06 -0.57 0.00 -0.13 0.00 0.00 59.36 58.58 3i0x h GLU 195 Cb 0.25 -0.21 -0.31 0.00 0.63 0.00 0.00 28.75 29.10 3i0x h GLU 195 CO 0.03 0.63 -0.84 -0.51 -0.73 0.00 0.00 179.01 177.59 3i0x s LEU 196 N -10.14 1.93 -0.28 1.64 1.43 -1.06 -5.06 118.68 107.14 3i0x s LEU 196 Ca -0.13 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3i0x s LEU 196 Cb 0.15 -1.00 0.04 0.00 0.03 0.00 0.00 46.19 45.40 3i0x s LEU 196 CO 0.77 0.16 -0.02 0.21 0.23 0.00 0.00 176.35 177.70 3i0x s ASN 197 N 0.04 4.67 0.25 2.29 3.84 -1.26 -4.46 114.94 120.31 3i0x s ASN 197 Ca -0.04 -1.07 -0.06 0.00 0.21 0.00 0.00 52.86 51.90 3i0x s ASN 197 Cb -0.12 -1.70 0.28 0.00 -0.55 0.00 0.00 41.25 39.15 3i0x s ASN 197 CO 0.02 -0.20 1.92 -0.07 -2.79 0.00 0.00 177.10 175.98 3i0x h LEU 198 N 8.02 1.12 -0.84 3.21 3.38 -1.98 -0.51 115.31 127.71 3i0x h LEU 198 Ca -0.27 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 3i0x h LEU 198 Cb 1.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3i0x h LEU 198 CO 0.55 0.83 0.14 -0.08 0.09 0.00 0.00 178.44 179.98 3i0x h GLU 199 N 1.30 1.01 -0.26 1.13 4.81 -1.99 0.53 114.58 121.11 3i0x h GLU 199 Ca 0.34 -0.23 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 3i0x h GLU 199 Cb -0.10 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.13 3i0x h GLU 199 CO -0.07 0.90 -0.15 -0.92 -0.73 0.00 0.00 179.01 178.05 3i0x h TYR 200 N 0.96 0.65 -0.79 0.92 3.20 -1.89 -2.92 116.97 117.11 3i0x h TYR 200 Ca 0.20 -0.17 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 3i0x h TYR 200 Cb 0.36 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 3i0x h TYR 200 CO 0.02 0.82 0.41 0.82 -1.64 0.00 0.00 178.16 178.60 3i0x h ILE 201 N 0.29 1.24 0.00 1.81 2.04 -0.80 -2.00 117.51 120.09 3i0x h ILE 201 Ca 0.06 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 3i0x h ILE 201 Cb 0.66 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.94 3i0x h ILE 201 CO 0.04 0.27 -0.10 0.50 0.00 0.00 0.00 178.15 178.87 3i0x h LYS 202 N 1.11 0.00 0.00 2.37 3.64 -0.82 -2.44 116.57 120.42 3i0x h LYS 202 Ca 0.27 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3i0x h LYS 202 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3i0x h LYS 202 CO -0.04 0.10 -0.13 0.66 -2.27 0.00 0.00 179.45 177.76 3i0x h SER 203 N 0.00 0.00 -4.23 4.20 4.64 -1.17 -3.47 113.55 113.52 3i0x h SER 203 Ca -0.00 -0.04 -0.50 0.00 -0.47 0.00 0.00 61.79 60.77 3i0x h SER 203 Cb 0.34 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.52 3i0x h SER 203 CO 0.01 0.02 0.37 -0.76 -0.87 0.00 0.00 176.83 175.60 3i0x s LEU 204 N -4.55 3.35 0.92 5.97 1.43 -0.92 -5.03 118.68 119.84 3i0x s LEU 204 Ca 0.10 1.85 -0.11 0.00 -1.03 0.00 0.00 54.13 54.93 3i0x s LEU 204 Cb 0.12 -4.53 0.14 0.00 0.03 0.00 0.00 46.19 41.95 3i0x s LEU 204 CO 0.63 -1.47 1.09 0.54 0.23 0.00 0.00 176.35 177.37 3i0x s ASN 205 N -2.95 3.16 0.18 2.29 2.20 -1.26 -4.57 114.94 113.99 3i0x s ASN 205 Ca 0.63 1.66 -0.23 0.00 -0.94 0.00 0.00 52.86 53.99 3i0x s ASN 205 Cb -0.17 -2.31 0.09 0.00 -2.00 0.00 0.00 41.25 36.85 3i0x s ASN 205 CO 0.44 -2.86 1.57 0.44 -2.94 0.00 0.00 177.10 173.74 3i0x h ASP 206 N -1.70 -1.47 -0.50 3.54 5.19 -1.96 0.45 116.42 119.98 3i0x h ASP 206 Ca -0.49 0.26 -0.06 0.00 -0.62 0.00 0.00 57.03 56.12 3i0x h ASP 206 Cb 1.28 0.70 -0.02 0.00 0.18 0.00 0.00 39.33 41.47 3i0x h ASP 206 CO 0.51 -0.31 0.06 0.78 -3.12 0.00 0.00 179.24 177.16 3i0x h ASN 207 N -0.15 0.80 -0.13 6.45 2.35 -2.00 -1.75 115.58 121.16 3i0x h ASN 207 Ca 0.22 -0.27 -0.12 0.00 -0.55 0.00 0.00 56.30 55.58 3i0x h ASN 207 Cb 0.56 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 3i0x h ASN 207 CO -0.76 0.87 -0.30 -0.33 -1.65 0.00 0.00 177.43 175.26 3i0x h GLU 208 N 0.70 0.61 -0.38 0.81 5.08 -1.82 -2.24 114.58 117.34 3i0x h GLU 208 Ca 0.15 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3i0x h GLU 208 Cb 0.42 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3i0x h GLU 208 CO 0.01 0.84 0.20 0.00 -1.00 0.00 0.00 179.01 179.06 3i0x h HIS 210 N 0.48 0.55 -0.69 0.00 -0.00 -1.12 -1.77 115.15 112.60 3i0x h HIS 210 Ca 0.13 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.45 3i0x h HIS 210 Cb 0.08 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 3i0x h HIS 210 CO -0.02 0.29 0.17 0.93 -0.00 0.00 0.00 177.93 179.30 3i0x h GLU 211 N 0.58 1.10 -0.53 5.26 4.39 -1.13 -2.64 114.58 121.61 3i0x h GLU 211 Ca 0.23 -0.26 -0.09 0.00 0.34 0.00 0.00 59.36 59.57 3i0x h GLU 211 Cb 0.09 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3i0x h GLU 211 CO -0.13 0.97 -0.03 0.93 -1.16 0.00 0.00 179.01 179.59 3i0x h GLU 212 N 1.03 0.97 -0.62 2.33 4.39 -1.08 -3.03 114.58 118.57 3i0x h GLU 212 Ca 0.22 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.59 3i0x h GLU 212 Cb 0.37 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3i0x h GLU 212 CO 0.00 0.99 0.39 -0.07 -1.16 0.00 0.00 179.01 179.16 3i0x h LEU 213 N 0.84 0.73 0.00 1.33 3.38 -1.17 -1.38 115.31 119.05 3i0x h LEU 213 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3i0x h LEU 213 Cb 0.58 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3i0x h LEU 213 CO 0.03 0.55 0.00 0.29 0.09 0.00 0.00 178.44 179.41 3i0x n LYS 214 N -4.42 0.13 0.24 1.13 5.02 -1.01 -1.96 118.16 117.28 3i0x n LYS 214 Ca 0.06 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 3i0x n LYS 214 Cb 0.06 -1.50 0.48 0.00 -0.02 0.00 0.00 35.03 34.05 3i0x n LYS 214 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3i0x h LYS 215 N 0.00 0.00 -6.81 1.97 1.57 -1.30 -3.44 116.57 108.55 3i0x h LYS 215 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 3i0x h LYS 215 Cb 0.17 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.50 3i0x h LYS 215 CO 0.00 0.14 0.51 -0.06 -0.57 0.00 0.00 179.45 179.47 3i0x s PHE 216 N -3.57 3.46 0.05 -1.35 0.08 -0.83 -4.98 117.98 110.84 3i0x s PHE 216 Ca 0.02 1.62 -0.31 0.00 0.12 0.00 0.00 56.93 58.38 3i0x s PHE 216 Cb 0.09 -3.38 -0.06 0.00 -0.57 0.00 0.00 43.02 39.10 3i0x s PHE 216 CO 0.61 -0.87 1.37 1.41 -0.10 0.00 0.00 175.22 177.64 3i0x s MET 217 N -1.42 4.32 0.00 0.44 -2.45 -1.26 -2.26 119.30 116.67 3i0x s MET 217 Ca 0.46 1.97 0.00 0.00 -1.25 0.00 0.00 55.69 56.87 3i0x s MET 217 Cb -0.34 -3.43 0.00 0.00 1.25 0.00 0.00 34.83 32.31 3i0x s MET 217 CO 0.43 -0.48 0.00 0.41 1.05 0.00 0.00 175.02 176.43 3i0x n GLY 218 N 3.53 0.40 3.31 2.11 0.00 -1.26 -4.70 105.19 108.58 3i0x n GLY 218 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 3i0x n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i0x s VAL 219 N -2.09 3.56 0.00 1.61 1.01 -0.96 -4.73 120.40 118.81 3i0x s VAL 219 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.32 3i0x s VAL 219 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.63 3i0x s VAL 219 CO 0.00 0.24 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3i0x n GLY 220 N 4.80 5.53 0.32 4.51 0.00 -1.26 -4.57 105.19 114.53 3i0x n GLY 220 Ca -0.16 -2.06 -0.02 0.00 0.00 0.00 0.00 46.02 43.78 3i0x n GLY 220 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i0x h PRO 221 N 0.00 1.04 0.14 1.61 0.11 -1.98 -0.09 132.00 132.83 3i0x h PRO 221 Ca 0.00 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 3i0x h PRO 221 Cb 0.00 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.88 3i0x h PRO 221 CO 0.00 0.69 -0.07 0.37 -0.21 0.00 0.00 178.00 178.78 3i0x h GLN 222 N 1.07 -0.18 -0.66 1.05 5.75 -1.94 -2.36 115.11 117.85 3i0x h GLN 222 Ca 0.34 0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.79 3i0x h GLN 222 Cb -0.01 0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.55 3i0x h GLN 222 CO -0.11 0.23 0.19 0.28 -2.65 0.00 0.00 178.83 176.78 3i0x h VAL 223 N -0.65 1.25 -0.70 2.39 2.07 -1.90 -1.78 116.25 116.92 3i0x h VAL 223 Ca -0.02 -0.86 -0.04 0.00 0.82 0.00 0.00 66.70 66.60 3i0x h VAL 223 Cb 0.49 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3i0x h VAL 223 CO 0.03 0.33 0.30 0.00 0.02 0.00 0.00 177.57 178.25 3i0x h ALA 224 N 1.23 0.91 -0.66 1.67 0.00 -1.05 -0.83 119.26 120.53 3i0x h ALA 224 Ca 0.21 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3i0x h ALA 224 Cb 0.30 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3i0x h ALA 224 CO -0.01 0.52 0.11 -0.44 0.00 0.00 0.00 179.25 179.43 3i0x h ASP 225 N 1.00 1.05 -0.35 0.00 3.32 -1.05 -1.24 116.42 119.16 3i0x h ASP 225 Ca 0.24 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 3i0x h ASP 225 Cb 0.19 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.44 3i0x h ASP 225 CO -0.02 1.04 0.15 0.00 -1.72 0.00 0.00 179.24 178.68 3i0x h ILE 227 N 0.42 0.98 0.00 0.00 2.04 -0.94 0.15 117.51 120.15 3i0x h ILE 227 Ca 0.12 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3i0x h ILE 227 Cb 0.15 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.31 3i0x h ILE 227 CO -0.01 0.04 -0.33 0.00 0.00 0.00 0.00 178.15 177.85 3i0x h MET 228 N -0.17 0.00 0.04 2.37 -0.00 -1.18 -0.93 114.93 115.06 3i0x h MET 228 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.69 3i0x h MET 228 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.74 3i0x h MET 228 CO 0.02 0.33 -0.02 1.25 -0.00 0.00 0.00 176.91 178.48 3i0x h LEU 229 N 0.00 -0.04 -0.32 -0.10 5.85 -0.96 -0.66 115.31 119.09 3i0x h LEU 229 Ca -0.00 -0.62 -0.02 0.00 0.84 0.00 0.00 57.88 58.07 3i0x h LEU 229 Cb 0.71 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 3i0x h LEU 229 CO 0.04 0.64 -0.09 -0.26 -0.34 0.00 0.00 178.44 178.43 3i0x h PHE 230 N -0.76 0.00 0.00 1.25 0.04 -0.93 -3.21 116.94 113.33 3i0x h PHE 230 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 3i0x h PHE 230 Cb 0.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.81 3i0x h PHE 230 CO 0.15 0.09 0.00 -1.13 -0.60 0.00 0.00 178.31 176.83 3i0x n SER 231 N -3.14 0.16 0.00 2.17 3.41 -0.36 -1.47 113.62 114.40 3i0x n SER 231 Ca 0.03 -0.49 0.00 0.00 -0.26 0.00 0.00 58.87 58.15 3i0x n SER 231 Cb 0.52 0.44 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 3i0x n SER 231 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3i0x n MET 232 N -0.44 0.39 -3.93 4.33 2.81 -0.76 -4.49 117.12 115.04 3i0x n MET 232 Ca 0.00 -0.68 -0.30 0.00 -1.81 0.00 0.00 57.70 54.92 3i0x n MET 232 Cb 0.03 -0.84 0.02 0.00 -0.71 0.00 0.00 33.22 31.71 3i0x n MET 232 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 3i0x n GLN 233 N -0.14 -5.19 -3.27 0.03 3.00 -0.36 -4.91 117.38 106.53 3i0x n GLN 233 Ca 0.00 0.57 -0.46 0.00 -0.01 0.00 0.00 57.00 57.10 3i0x n GLN 233 Cb 0.18 -5.40 -0.02 0.00 0.00 0.00 0.00 30.24 25.00 3i0x n GLN 233 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 3i0x s LYS 234 N -6.59 3.69 0.00 -1.09 -0.14 -0.56 -4.91 119.74 110.13 3i0x s LYS 234 Ca 0.59 -2.47 0.14 0.00 -1.36 0.00 0.00 55.97 52.87 3i0x s LYS 234 Cb -0.30 -4.52 0.76 0.00 -1.68 0.00 0.00 37.83 32.10 3i0x s LYS 234 CO 0.84 -1.35 1.36 0.66 -0.76 0.00 0.00 175.35 176.10 3i0x n TYR 235 N 4.17 0.00 1.56 3.18 4.01 -1.26 -2.26 117.16 126.56 3i0x n TYR 235 Ca 0.17 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.03 3i0x n TYR 235 Cb 0.46 -0.21 0.55 0.00 -0.31 0.00 0.00 39.34 39.83 3i0x n TYR 235 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3i0x n SER 236 N -1.21 1.10 -4.76 7.72 3.41 -1.26 -0.27 113.62 118.34 3i0x n SER 236 Ca 0.08 -1.48 -0.37 0.00 -0.26 0.00 0.00 58.87 56.84 3i0x n SER 236 Cb 0.10 -0.04 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3i0x n SER 236 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3i0x s ALA 237 N -1.93 2.83 -0.43 7.33 0.00 -0.96 -4.67 121.76 123.94 3i0x s ALA 237 Ca 0.36 1.03 0.06 0.00 0.00 0.00 0.00 51.96 53.41 3i0x s ALA 237 Cb 0.19 -3.44 0.20 0.00 0.00 0.00 0.00 23.12 20.07 3i0x s ALA 237 CO 0.30 -0.92 0.49 0.34 0.00 0.00 0.00 175.76 175.97 3i0x n PHE 238 N -0.89 -1.40 -1.87 0.00 7.35 -1.26 -1.16 117.46 118.23 3i0x n PHE 238 Ca 0.10 -2.97 -0.42 0.00 -0.76 0.00 0.00 57.45 53.39 3i0x n PHE 238 Cb 0.48 0.38 -0.03 0.00 0.35 0.00 0.00 39.48 40.66 3i0x n PHE 238 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 3i0x s PRO 239 N -0.12 3.96 -0.56 -7.13 0.04 -1.26 -4.81 135.00 125.13 3i0x s PRO 239 Ca 0.33 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.45 3i0x s PRO 239 Cb 0.09 -4.10 0.14 0.00 0.04 0.00 0.00 34.50 30.66 3i0x s PRO 239 CO -0.16 -1.13 0.48 0.08 0.04 0.00 0.00 177.00 176.32 3i0x s VAL 240 N 4.93 4.92 0.00 -0.36 1.01 -1.26 -4.83 120.40 124.81 3i0x s VAL 240 Ca 0.81 -1.74 0.00 0.00 0.00 0.00 0.00 61.98 61.06 3i0x s VAL 240 Cb -0.35 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 31.87 3i0x s VAL 240 CO 0.34 -0.86 0.00 -0.90 0.00 0.00 0.00 175.10 173.68 3i0x n ASP 241 N 4.95 0.28 -0.26 3.32 3.85 -1.26 -4.81 116.55 122.61 3i0x n ASP 241 Ca -0.08 -0.84 -0.01 0.00 -0.71 0.00 0.00 54.79 53.15 3i0x n ASP 241 Cb 0.41 0.00 0.19 0.00 -1.35 0.00 0.00 41.12 40.37 3i0x n ASP 241 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i0x h THR 242 N 0.12 1.22 -0.13 2.12 1.03 -1.99 -1.30 112.91 113.98 3i0x h THR 242 Ca 0.00 -0.44 -0.17 0.00 -0.01 0.00 0.00 66.41 65.80 3i0x h THR 242 Cb 0.00 0.03 0.01 0.00 -1.07 0.00 0.00 68.15 67.12 3i0x h THR 242 CO 0.00 0.22 -0.57 -0.50 -0.01 0.00 0.00 175.52 174.66 3i0x h TRP 243 N 1.12 0.82 -0.25 0.00 4.06 -1.95 -2.29 115.95 117.46 3i0x h TRP 243 Ca 0.30 -0.36 -0.09 0.00 2.06 0.00 0.00 58.89 60.80 3i0x h TRP 243 Cb -0.09 -0.13 -0.01 0.00 -1.00 0.00 0.00 29.16 27.93 3i0x h TRP 243 CO 0.00 1.15 -0.23 0.28 -3.56 0.00 0.00 178.44 176.08 3i0x h VAL 244 N 0.26 1.26 -0.34 1.49 2.07 -1.86 -1.11 116.25 118.01 3i0x h VAL 244 Ca -0.04 -1.20 0.00 0.00 0.82 0.00 0.00 66.70 66.28 3i0x h VAL 244 Cb 1.21 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 3i0x h VAL 244 CO 0.12 0.38 0.22 0.50 0.02 0.00 0.00 177.57 178.81 3i0x h LYS 245 N 0.41 0.45 -0.58 1.57 3.64 -1.18 0.05 116.57 120.92 3i0x h LYS 245 Ca 0.06 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3i0x h LYS 245 Cb 0.62 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 3i0x h LYS 245 CO 0.04 0.32 0.32 0.87 -2.27 0.00 0.00 179.45 178.73 3i0x h LYS 246 N 0.45 0.81 -0.58 1.90 1.57 -0.98 -0.78 116.57 118.97 3i0x h LYS 246 Ca 0.12 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 3i0x h LYS 246 Cb -0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 3i0x h LYS 246 CO -0.03 0.62 0.32 0.00 -0.57 0.00 0.00 179.45 179.80 3i0x h ALA 247 N 1.15 0.74 -0.20 3.86 0.00 -0.86 -1.96 119.26 121.99 3i0x h ALA 247 Ca 0.21 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3i0x h ALA 247 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i0x h ALA 247 CO -0.03 0.25 -0.37 0.52 0.00 0.00 0.00 179.25 179.62 3i0x h MET 248 N 0.78 0.44 0.00 0.00 2.86 -0.70 -2.51 114.93 115.80 3i0x h MET 248 Ca 0.20 -0.21 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i0x h MET 248 Cb 0.04 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.69 3i0x h MET 248 CO -0.03 0.75 0.00 0.52 1.06 0.00 0.00 176.91 179.21 3i0x h MET 249 N 0.37 0.00 0.00 1.72 2.07 -0.89 0.36 114.93 118.57 3i0x h MET 249 Ca 0.04 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.45 3i0x h MET 249 Cb 0.82 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 30.52 3i0x h MET 249 CO 0.07 0.00 -1.30 1.03 1.07 0.00 0.00 176.91 177.78 3i0x h SER 250 N 0.00 0.00 0.00 1.22 0.87 -0.99 -3.42 113.55 111.23 3i0x h SER 250 Ca 0.00 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.42 3i0x h SER 250 Cb 0.60 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 3i0x h SER 250 CO 0.00 0.83 -1.50 0.18 -0.53 0.00 0.00 176.83 175.81 3i0x n LEU 251 N -3.11 2.35 -0.02 2.23 4.77 -0.98 -4.97 117.00 117.27 3i0x n LEU 251 Ca -0.08 -0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.87 3i0x n LEU 251 Cb 0.93 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.70 3i0x n LEU 251 CO 0.44 0.52 -0.63 -1.22 -1.33 0.00 0.00 177.39 175.18 3i0x n TYR 252 N -2.94 0.00 -4.38 -1.77 4.02 0.11 -5.09 117.16 107.11 3i0x n TYR 252 Ca -0.16 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.54 3i0x n TYR 252 Cb 0.65 -0.19 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 3i0x n TYR 252 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3i0x s VAL 253 N -2.09 1.39 0.71 -0.72 -7.23 -0.09 -5.01 120.40 107.36 3i0x s VAL 253 Ca -0.02 -2.09 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 3i0x s VAL 253 Cb 0.01 -2.35 0.02 0.00 0.56 0.00 0.00 36.38 34.62 3i0x s VAL 253 CO 0.15 -0.35 1.07 0.00 -0.31 0.00 0.00 175.10 175.66 3i0x s ALA 254 N -3.18 2.61 -0.72 1.32 0.00 -1.26 -4.27 121.76 116.25 3i0x s ALA 254 Ca 0.28 0.05 0.15 0.00 0.00 0.00 0.00 51.96 52.44 3i0x s ALA 254 Cb 0.04 -3.17 0.68 0.00 0.00 0.00 0.00 23.12 20.67 3i0x s ALA 254 CO 0.10 -1.31 1.46 -0.35 0.00 0.00 0.00 175.76 175.66 3i0x n PRO 255 N -3.19 0.08 -0.24 0.00 -0.04 -1.26 -2.97 135.00 127.38 3i0x n PRO 255 Ca 0.07 0.42 0.09 0.00 -0.04 0.00 0.00 63.50 64.04 3i0x n PRO 255 Cb 0.54 -1.68 0.21 0.00 -0.04 0.00 0.00 33.50 32.53 3i0x n PRO 255 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3i0x n ASP 256 N -1.83 3.30 -4.73 3.54 5.75 -1.26 -4.98 116.55 116.34 3i0x n ASP 256 Ca 0.02 -1.96 -0.41 0.00 -0.01 0.00 0.00 54.79 52.42 3i0x n ASP 256 Cb 0.13 -0.31 -0.04 0.00 -1.03 0.00 0.00 41.12 39.87 3i0x n ASP 256 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3i0x s VAL 257 N -1.06 4.16 0.83 2.12 1.01 -1.16 -5.02 120.40 121.28 3i0x s VAL 257 Ca 0.34 1.78 -0.10 0.00 0.00 0.00 0.00 61.98 64.00 3i0x s VAL 257 Cb 0.18 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.51 3i0x s VAL 257 CO 0.24 0.27 1.11 -0.94 0.00 0.00 0.00 175.10 175.78 3i0x s SER 258 N 0.12 3.92 0.30 3.32 1.04 -1.26 -4.84 113.70 116.30 3i0x s SER 258 Ca 0.50 1.92 0.00 0.00 0.48 0.00 0.00 55.95 58.85 3i0x s SER 258 Cb -0.27 -2.52 0.46 0.00 0.10 0.00 0.00 66.02 63.80 3i0x s SER 258 CO 0.32 -2.42 1.84 -0.07 0.98 0.00 0.00 173.24 173.89 3i0x h LEU 259 N -1.40 0.68 -0.59 2.42 3.38 -1.98 -1.38 115.31 116.44 3i0x h LEU 259 Ca -0.44 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.38 3i0x h LEU 259 Cb 1.25 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.79 3i0x h LEU 259 CO 0.48 0.70 0.26 0.50 0.09 0.00 0.00 178.44 180.48 3i0x h LYS 260 N 0.70 0.87 -0.28 1.13 3.64 -1.99 -0.13 116.57 120.53 3i0x h LYS 260 Ca 0.15 -0.14 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3i0x h LYS 260 Cb 0.31 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3i0x h LYS 260 CO 0.00 0.73 -0.18 0.87 -2.27 0.00 0.00 179.45 178.60 3i0x h LYS 261 N 0.82 0.50 -0.38 1.90 1.57 -1.81 -1.04 116.57 118.12 3i0x h LYS 261 Ca 0.20 -0.16 -0.13 0.00 -1.87 0.00 0.00 60.65 58.69 3i0x h LYS 261 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3i0x h LYS 261 CO -0.02 0.66 -0.25 0.82 -0.57 0.00 0.00 179.45 180.09 3i0x h ILE 262 N 0.45 1.28 -0.36 1.86 2.04 -0.81 -0.97 117.51 121.00 3i0x h ILE 262 Ca 0.08 -1.41 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3i0x h ILE 262 Cb 0.57 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 3i0x h ILE 262 CO 0.04 0.47 0.20 -0.09 0.00 0.00 0.00 178.15 178.77 3i0x h ARG 263 N 0.64 0.51 -0.54 2.37 2.43 -0.71 -1.11 114.38 117.97 3i0x h ARG 263 Ca 0.08 -0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 3i0x h ARG 263 Cb 0.82 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 3i0x h ARG 263 CO 0.07 0.42 0.06 -0.44 -1.51 0.00 0.00 179.97 178.57 3i0x h ASP 264 N 0.46 0.83 -0.10 -3.80 3.32 -1.11 -1.40 116.42 114.62 3i0x h ASP 264 Ca 0.13 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3i0x h ASP 264 Cb 0.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3i0x h ASP 264 CO -0.02 0.86 0.05 0.15 -1.72 0.00 0.00 179.24 178.56 3i0x h PHE 265 N 0.83 0.15 -0.47 4.55 3.57 -0.88 -1.51 116.94 123.17 3i0x h PHE 265 Ca 0.17 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.63 3i0x h PHE 265 Cb 0.40 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 3i0x h PHE 265 CO 0.02 0.23 0.20 0.78 -2.23 0.00 0.00 178.31 177.31 3i0x h GLY 266 N 0.03 0.75 1.60 2.40 0.00 -1.03 -1.36 103.07 105.47 3i0x h GLY 266 Ca 0.03 -0.40 -0.07 0.00 0.00 0.00 0.00 47.33 46.89 3i0x h GLY 266 CO -0.00 0.38 -0.12 3.21 0.00 0.00 0.00 176.54 180.01 3i0x h ARG 267 N 0.62 0.48 -0.29 4.80 3.08 -1.19 0.42 114.38 122.31 3i0x h ARG 267 Ca 0.16 -0.13 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 3i0x h ARG 267 Cb 0.18 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3i0x h ARG 267 CO -0.01 0.60 -0.28 1.49 -1.07 0.00 0.00 179.97 180.69 3i0x h GLU 268 N 0.45 0.70 -0.07 0.04 4.57 -1.06 -1.13 114.58 118.08 3i0x h GLU 268 Ca 0.08 -0.37 -0.18 0.00 -1.18 0.00 0.00 59.36 57.72 3i0x h GLU 268 Cb 0.48 0.01 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3i0x h GLU 268 CO 0.03 0.98 -0.64 -0.22 -1.18 0.00 0.00 179.01 177.97 3i0x h LYS 269 N 0.44 0.56 0.00 1.92 3.64 -0.98 -3.35 116.57 118.81 3i0x h LYS 269 Ca 0.05 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3i0x h LYS 269 Cb 0.85 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3i0x h LYS 269 CO 0.07 1.14 -1.06 1.19 -2.27 0.00 0.00 179.45 178.52 3i0x n PHE 270 N -4.13 0.14 0.00 1.91 3.72 0.11 -5.04 117.46 114.17 3i0x n PHE 270 Ca -0.09 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 3i0x n PHE 270 Cb 0.68 -0.30 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3i0x n PHE 270 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i0x n GLY 271 N 1.41 3.22 0.00 1.37 0.00 -0.43 -1.60 105.19 109.16 3i0x n GLY 271 Ca 0.02 -0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3i0x n GLY 271 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i0x n SER 272 N 3.68 0.00 -0.84 1.61 3.41 -1.26 -1.63 113.62 118.59 3i0x n SER 272 Ca 0.00 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 59.00 3i0x n SER 272 Cb 0.00 -0.39 0.20 0.00 -0.26 0.00 0.00 64.21 63.76 3i0x n SER 272 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3i0x n LEU 273 N -1.39 3.24 -0.21 1.04 4.77 -0.63 -4.24 117.00 119.58 3i0x n LEU 273 Ca 0.03 -2.02 0.01 0.00 -0.03 0.00 0.00 56.01 54.00 3i0x n LEU 273 Cb 0.09 -0.31 0.13 0.00 -2.33 0.00 0.00 43.42 41.00 3i0x n LEU 273 CO 0.08 0.80 0.97 0.28 -1.33 0.00 0.00 177.39 178.19 3i0x h SER 274 N 2.63 0.17 -0.98 -1.43 0.02 -1.04 -1.16 113.55 111.77 3i0x h SER 274 Ca 0.00 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3i0x h SER 274 Cb 0.82 0.09 -0.05 0.00 0.14 0.00 0.00 62.40 63.40 3i0x h SER 274 CO 0.01 0.09 0.65 1.23 -1.14 0.00 0.00 176.83 177.66 3i0x h GLY 275 N 0.37 1.40 0.74 -3.77 0.00 0.90 0.65 103.07 103.36 3i0x h GLY 275 Ca 0.33 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 47.11 3i0x h GLY 275 CO -0.36 0.46 -0.10 0.74 0.00 0.00 0.00 176.54 177.28 3i0x h PHE 276 N 1.28 0.38 -0.81 5.60 0.04 -1.64 -2.22 116.94 119.58 3i0x h PHE 276 Ca 0.38 -0.10 0.06 0.00 2.80 0.00 0.00 57.97 61.10 3i0x h PHE 276 Cb -0.07 -0.08 -0.06 0.00 2.20 0.00 0.00 35.95 37.93 3i0x h PHE 276 CO -0.00 0.68 0.49 0.00 -0.60 0.00 0.00 178.31 178.88 3i0x h ALA 277 N 0.64 1.10 -0.74 2.45 0.00 -0.84 -1.88 119.26 119.99 3i0x h ALA 277 Ca 0.03 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3i0x h ALA 277 Cb 0.60 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3i0x h ALA 277 CO 0.03 0.22 0.47 0.37 0.00 0.00 0.00 179.25 180.34 3i0x h GLN 278 N 0.90 0.91 -0.45 0.00 -0.00 -0.73 -1.82 115.11 113.92 3i0x h GLN 278 Ca 0.35 -0.05 -0.07 0.00 -0.00 0.00 0.00 58.65 58.88 3i0x h GLN 278 Cb 0.17 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.42 3i0x h GLN 278 CO -0.17 0.60 0.02 0.37 0.00 0.00 0.00 178.83 179.65 3i0x h GLN 279 N 0.94 0.79 -0.60 1.69 5.75 -0.73 0.84 115.11 123.78 3i0x h GLN 279 Ca 0.29 -0.24 -0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3i0x h GLN 279 Cb -0.02 -0.08 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 3i0x h GLN 279 CO -0.09 0.83 0.31 1.88 -2.65 0.00 0.00 178.83 179.11 3i0x h TYR 280 N 0.64 0.86 -0.38 3.99 0.05 -1.25 -1.50 116.97 119.38 3i0x h TYR 280 Ca 0.13 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.86 3i0x h TYR 280 Cb 0.47 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.92 3i0x h TYR 280 CO 0.04 0.64 0.15 -0.07 -1.05 0.00 0.00 178.16 177.87 3i0x h LEU 281 N 0.82 0.52 0.04 3.88 3.38 -1.05 -2.19 115.31 120.72 3i0x h LEU 281 Ca 0.21 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3i0x h LEU 281 Cb 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3i0x h LEU 281 CO -0.03 0.54 -0.02 0.15 0.09 0.00 0.00 178.44 179.17 3i0x h PHE 282 N 0.46 -0.06 -0.27 1.13 3.57 -0.67 -1.11 116.94 119.99 3i0x h PHE 282 Ca 0.13 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.64 3i0x h PHE 282 Cb 0.18 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3i0x h PHE 282 CO -0.00 -0.02 0.14 -0.92 -2.23 0.00 0.00 178.31 175.27 3i0x h TYR 283 N -0.07 0.25 -0.29 0.41 3.20 -1.25 -0.57 116.97 118.65 3i0x h TYR 283 Ca -0.01 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.85 3i0x h TYR 283 Cb 0.06 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 3i0x h TYR 283 CO -0.07 0.14 0.09 -0.92 -1.64 0.00 0.00 178.16 175.76 3i0x h TYR 284 N 0.29 0.46 -0.04 -3.82 3.20 -1.34 -1.61 116.97 114.11 3i0x h TYR 284 Ca 0.11 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.94 3i0x h TYR 284 Cb 0.03 -0.13 -0.00 0.00 1.54 0.00 0.00 36.73 38.17 3i0x h TYR 284 CO -0.10 0.48 0.03 0.00 -1.64 0.00 0.00 178.16 176.93 3i0x h ALA 285 N 0.93 0.05 -0.22 1.82 0.00 -0.98 -2.09 119.26 118.77 3i0x h ALA 285 Ca 0.09 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3i0x h ALA 285 Cb 0.24 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i0x h ALA 285 CO -0.00 -0.45 -0.30 -0.09 0.00 0.00 0.00 179.25 178.41 3i0x h ARG 286 N 0.06 0.60 -0.25 0.00 2.43 -1.11 -1.23 114.38 114.88 3i0x h ARG 286 Ca 0.02 -0.34 -0.07 0.00 -0.81 0.00 0.00 59.98 58.78 3i0x h ARG 286 Cb -0.01 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3i0x h ARG 286 CO -0.00 0.95 -0.13 0.93 -1.51 0.00 0.00 179.97 180.20 3i0x h GLU 287 N 0.29 0.42 -0.61 0.20 4.39 -1.31 -2.44 114.58 115.51 3i0x h GLU 287 Ca 0.03 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.61 3i0x h GLU 287 Cb 0.87 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3i0x h GLU 287 CO 0.07 0.55 0.00 0.09 -1.16 0.00 0.00 179.01 178.56 3i0x n ASN 288 N -4.21 3.62 -4.02 1.42 4.13 -0.79 -4.97 115.26 110.44 3i0x n ASN 288 Ca 0.00 -1.99 -0.34 0.00 1.68 0.00 0.00 54.58 53.93 3i0x n ASN 288 Cb 0.31 -0.41 -0.02 0.00 -1.54 0.00 0.00 39.78 38.13 3i0x n ASN 288 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3i0x n ASN 289 N 1.50 -1.72 -4.76 6.41 2.85 -0.53 -4.83 115.26 114.17 3i0x n ASN 289 Ca 0.22 -1.08 -0.40 0.00 -0.11 0.00 0.00 54.58 53.22 3i0x n ASN 289 Cb 0.59 -1.31 0.02 0.00 1.24 0.00 0.00 39.78 40.32 3i0x n ASN 289 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 3i0x s ILE 290 N -3.93 2.09 -2.58 -1.44 -4.36 -0.81 -5.05 121.20 105.13 3i0x s ILE 290 Ca 0.25 0.08 0.21 0.00 -0.26 0.00 0.00 60.65 60.92 3i0x s ILE 290 Cb -0.14 -3.04 0.16 0.00 1.25 0.00 0.00 42.46 40.69 3i0x s ILE 290 CO 0.82 0.01 1.15 0.00 0.24 0.00 0.00 174.94 177.16