#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxx s VAL 2 N 0.00 0.10 0.03 2.03 0.11 -1.26 -4.92 120.40 116.48 1oxx s VAL 2 Ca 0.00 -0.12 -0.19 0.00 -2.93 0.00 0.00 61.98 58.74 1oxx s VAL 2 Cb 0.00 -0.10 -0.06 0.00 -1.53 0.00 0.00 36.38 34.69 1oxx s VAL 2 CO 0.00 -0.01 0.56 -0.13 -3.33 0.00 0.00 175.10 172.19 1oxx s ARG 3 N -0.14 4.23 -0.18 1.54 0.52 -1.26 -3.82 118.95 119.84 1oxx s ARG 3 Ca -0.01 0.70 -0.00 0.00 -0.52 0.00 0.00 55.73 55.90 1oxx s ARG 3 Cb -0.01 -3.29 0.01 0.00 0.52 0.00 0.00 34.95 32.18 1oxx s ARG 3 CO -0.00 0.51 -0.15 0.42 0.02 0.00 0.00 175.30 176.10 1oxx s ILE 4 N -0.66 2.49 -0.28 1.52 1.01 0.03 -0.10 121.20 125.21 1oxx s ILE 4 Ca 0.29 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.08 1oxx s ILE 4 Cb -0.19 -2.07 0.00 0.00 0.01 0.00 0.00 42.46 40.22 1oxx s ILE 4 CO 0.17 0.51 0.05 -0.63 0.00 0.00 0.00 174.94 175.04 1oxx s ILE 5 N 1.24 3.85 -0.39 2.92 1.01 -0.48 -0.28 121.20 129.07 1oxx s ILE 5 Ca 0.03 -0.63 -0.12 0.00 0.00 0.00 0.00 60.65 59.92 1oxx s ILE 5 Cb -0.14 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.42 1oxx s ILE 5 CO -0.08 0.16 0.24 -0.69 0.00 0.00 0.00 174.94 174.57 1oxx s VAL 6 N 1.50 4.78 -0.29 2.92 1.01 0.15 -1.04 120.40 129.43 1oxx s VAL 6 Ca 0.03 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.19 1oxx s VAL 6 Cb -0.17 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1oxx s VAL 6 CO 0.01 -0.27 -0.02 -0.75 0.00 0.00 0.00 175.10 174.07 1oxx s LYS 7 N 1.59 2.45 -1.56 2.72 2.47 -0.09 -1.98 119.74 125.34 1oxx s LYS 7 Ca 0.03 -1.24 -0.08 0.00 -1.56 0.00 0.00 55.97 53.12 1oxx s LYS 7 Cb -0.19 -3.12 0.07 0.00 -1.46 0.00 0.00 37.83 33.13 1oxx s LYS 7 CO 0.08 -0.59 0.48 0.09 0.16 0.00 0.00 175.35 175.57 1oxx n ASN 8 N 4.60 -1.20 -4.67 1.43 5.03 -1.10 -1.08 115.26 118.28 1oxx n ASN 8 Ca -0.14 -1.07 -0.42 0.00 0.87 0.00 0.00 54.58 53.82 1oxx n ASN 8 Cb 0.44 -2.61 -0.03 0.00 -1.02 0.00 0.00 39.78 36.56 1oxx n ASN 8 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1oxx s VAL 9 N -3.77 4.76 0.17 2.41 1.01 -0.61 -3.58 120.40 120.79 1oxx s VAL 9 Ca 0.30 1.95 0.09 0.00 0.00 0.00 0.00 61.98 64.32 1oxx s VAL 9 Cb -0.17 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.90 1oxx s VAL 9 CO 0.93 -0.07 -0.20 -0.44 0.00 0.00 0.00 175.10 175.32 1oxx s SER 10 N 1.16 2.82 -0.11 3.32 0.01 -0.28 -1.04 113.70 119.59 1oxx s SER 10 Ca 0.44 -0.85 -0.04 0.00 1.31 0.00 0.00 55.95 56.81 1oxx s SER 10 Cb -0.16 -0.18 0.05 0.00 0.21 0.00 0.00 66.02 65.94 1oxx s SER 10 CO 0.11 0.00 0.22 -0.75 0.41 0.00 0.00 173.24 173.24 1oxx s LYS 11 N -2.70 0.13 0.19 12.44 2.47 -0.21 -0.04 119.74 132.02 1oxx s LYS 11 Ca 0.16 0.61 0.11 0.00 -1.56 0.00 0.00 55.97 55.28 1oxx s LYS 11 Cb -0.06 -0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.13 1oxx s LYS 11 CO 0.07 -0.25 -0.20 0.14 0.16 0.00 0.00 175.35 175.28 1oxx s VAL 12 N 1.95 2.61 0.37 4.02 -7.23 -1.26 -0.38 120.40 120.48 1oxx s VAL 12 Ca -0.02 -1.92 0.04 0.00 -1.81 0.00 0.00 61.98 58.27 1oxx s VAL 12 Cb -0.12 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.52 1oxx s VAL 12 CO -0.08 -0.11 0.09 -0.36 -0.31 0.00 0.00 175.10 174.33 1oxx s PHE 13 N -1.68 1.86 -1.47 2.82 0.40 0.17 -4.83 117.98 115.26 1oxx s PHE 13 Ca 0.22 -1.11 -0.09 0.00 -0.60 0.00 0.00 56.93 55.35 1oxx s PHE 13 Cb -0.08 -1.24 0.06 0.00 0.51 0.00 0.00 43.02 42.27 1oxx s PHE 13 CO 0.11 -0.13 0.83 1.63 0.70 0.00 0.00 175.22 178.37 1oxx n LYS 14 N -0.82 -4.96 -1.93 0.44 5.02 -1.26 -1.61 118.16 113.04 1oxx n LYS 14 Ca -0.05 0.57 -0.20 0.00 -2.02 0.00 0.00 58.31 56.61 1oxx n LYS 14 Cb 0.66 -5.28 -0.05 0.00 -0.02 0.00 0.00 35.03 30.34 1oxx n LYS 14 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oxx n LYS 15 N -4.52 -1.58 0.00 1.97 5.02 -1.26 -2.08 118.16 115.71 1oxx n LYS 15 Ca -0.09 1.07 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1oxx n LYS 15 Cb 0.58 -5.56 0.00 0.00 -0.02 0.00 0.00 35.03 30.03 1oxx n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oxx n GLY 16 N -0.63 1.90 0.23 0.72 0.00 -0.63 -4.98 105.19 101.79 1oxx n GLY 16 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1oxx n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1oxx h LYS 17 N 0.90 0.28 -5.14 1.61 3.64 -1.16 -3.40 116.57 113.30 1oxx h LYS 17 Ca 0.00 -0.09 -0.65 0.00 -1.27 0.00 0.00 60.65 58.64 1oxx h LYS 17 Cb 0.00 -0.02 -0.25 0.00 -0.41 0.00 0.00 32.23 31.54 1oxx h LYS 17 CO 0.00 0.51 -0.70 0.08 -2.27 0.00 0.00 179.45 177.06 1oxx s VAL 18 N -4.50 3.56 -0.47 2.00 1.01 -0.96 -5.02 120.40 116.02 1oxx s VAL 18 Ca -0.05 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.40 1oxx s VAL 18 Cb 0.14 -2.58 0.12 0.00 0.00 0.00 0.00 36.38 34.06 1oxx s VAL 18 CO 0.75 0.45 0.31 -0.69 0.00 0.00 0.00 175.10 175.93 1oxx s VAL 19 N 0.95 3.94 0.11 2.92 1.01 -1.26 -0.65 120.40 127.41 1oxx s VAL 19 Ca -0.00 -1.93 -0.06 0.00 0.00 0.00 0.00 61.98 59.99 1oxx s VAL 19 Cb -0.15 -3.62 -0.22 0.00 0.00 0.00 0.00 36.38 32.40 1oxx s VAL 19 CO 0.01 -0.76 1.25 0.00 0.00 0.00 0.00 175.10 175.59 1oxx h ALA 20 N 8.26 0.26 -3.69 5.51 0.00 -1.07 -3.43 119.26 125.11 1oxx h ALA 20 Ca -0.17 -0.75 -0.36 0.00 0.00 0.00 0.00 54.91 53.62 1oxx h ALA 20 Cb 1.06 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.54 1oxx h ALA 20 CO 0.81 0.83 -0.76 -0.51 0.00 0.00 0.00 179.25 179.62 1oxx s LEU 21 N -7.63 1.63 -0.32 0.00 1.43 -0.99 -4.01 118.68 108.79 1oxx s LEU 21 Ca -0.06 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1oxx s LEU 21 Cb 0.08 -0.34 0.10 0.00 0.03 0.00 0.00 46.19 46.06 1oxx s LEU 21 CO 0.88 -0.00 0.06 -0.62 0.23 0.00 0.00 176.35 176.89 1oxx s ASP 22 N 0.43 4.42 -1.20 2.29 3.68 0.30 -1.04 116.67 125.55 1oxx s ASP 22 Ca -0.05 -1.88 -0.17 0.00 2.13 0.00 0.00 52.55 52.58 1oxx s ASP 22 Cb -0.09 -1.31 -0.00 0.00 -1.45 0.00 0.00 42.92 40.07 1oxx s ASP 22 CO -0.00 -0.38 0.72 -3.20 0.13 0.00 0.00 175.17 172.43 1oxx n ASN 23 N 4.51 -4.18 -4.70 -0.34 5.15 -1.03 -4.65 115.26 110.02 1oxx n ASN 23 Ca 0.00 -1.02 -0.41 0.00 -0.60 0.00 0.00 54.58 52.55 1oxx n ASN 23 Cb 0.42 -3.25 -0.04 0.00 -0.53 0.00 0.00 39.78 36.38 1oxx n ASN 23 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1oxx s VAL 24 N -3.57 4.92 -0.14 3.44 1.01 -0.21 -4.67 120.40 121.18 1oxx s VAL 24 Ca 0.37 1.79 -0.00 0.00 0.00 0.00 0.00 61.98 64.14 1oxx s VAL 24 Cb -0.14 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.08 1oxx s VAL 24 CO 0.87 0.14 -0.08 0.20 0.00 0.00 0.00 175.10 176.23 1oxx s ASN 25 N 0.98 2.59 -0.11 3.32 0.01 -1.26 -1.57 114.94 118.90 1oxx s ASN 25 Ca 0.44 -0.50 -0.09 0.00 -0.71 0.00 0.00 52.86 52.00 1oxx s ASN 25 Cb -0.19 -0.96 0.03 0.00 0.41 0.00 0.00 41.25 40.55 1oxx s ASN 25 CO 0.21 -0.13 0.28 -0.63 -1.51 0.00 0.00 177.10 175.31 1oxx s ILE 26 N 1.62 -0.01 -0.35 0.60 1.01 -0.84 -5.01 121.20 118.22 1oxx s ILE 26 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 60.65 60.69 1oxx s ILE 26 Cb -0.14 -0.40 0.08 0.00 0.01 0.00 0.00 42.46 42.01 1oxx s ILE 26 CO -0.09 0.01 0.10 0.20 0.00 0.00 0.00 174.94 175.17 1oxx s ASN 27 N 0.40 5.07 -0.20 3.58 0.01 -1.26 -0.68 114.94 121.87 1oxx s ASN 27 Ca -0.02 -1.65 -0.15 0.00 -0.71 0.00 0.00 52.86 50.33 1oxx s ASN 27 Cb -0.04 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.81 1oxx s ASN 27 CO -0.02 -0.40 0.37 -0.63 -1.51 0.00 0.00 177.10 174.91 1oxx s ILE 28 N 1.19 5.22 0.55 0.60 1.01 0.61 -4.97 121.20 125.42 1oxx s ILE 28 Ca 0.02 0.64 -0.10 0.00 0.00 0.00 0.00 60.65 61.21 1oxx s ILE 28 Cb -0.21 -3.70 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1oxx s ILE 28 CO -0.03 0.27 0.93 -1.61 0.00 0.00 0.00 174.94 174.51 1oxx s GLU 29 N 1.21 3.63 0.02 2.79 0.41 -1.26 -0.79 118.70 124.70 1oxx s GLU 29 Ca 0.18 0.58 -0.33 0.00 -0.41 0.00 0.00 54.97 54.98 1oxx s GLU 29 Cb -0.14 -2.20 -0.12 0.00 -1.78 0.00 0.00 34.13 29.89 1oxx s GLU 29 CO 0.07 -0.39 1.80 -1.71 -0.49 0.00 0.00 175.26 174.54 1oxx n ASN 30 N -2.38 3.48 0.00 -0.19 4.05 -1.25 -1.61 115.26 117.36 1oxx n ASN 30 Ca 0.04 1.00 0.00 0.00 0.45 0.00 0.00 54.58 56.07 1oxx n ASN 30 Cb 0.54 -1.42 0.00 0.00 1.23 0.00 0.00 39.78 40.13 1oxx n ASN 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1oxx n GLY 31 N 4.12 0.79 3.78 8.20 0.00 -1.26 -4.55 105.19 116.27 1oxx n GLY 31 Ca 0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 1oxx n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oxx s GLU 32 N -0.02 4.15 -0.49 1.61 2.12 -0.63 -4.64 118.70 120.80 1oxx s GLU 32 Ca 0.00 1.53 -0.15 0.00 0.36 0.00 0.00 54.97 56.71 1oxx s GLU 32 Cb 0.00 -2.55 0.10 0.00 0.26 0.00 0.00 34.13 31.94 1oxx s GLU 32 CO 0.00 -0.16 0.42 1.03 -0.54 0.00 0.00 175.26 176.02 1oxx s ARG 33 N -2.48 2.93 -0.08 4.30 0.52 -1.26 -0.88 118.95 122.00 1oxx s ARG 33 Ca 0.58 -1.50 0.01 0.00 -0.52 0.00 0.00 55.73 54.30 1oxx s ARG 33 Cb -0.23 -4.16 -0.02 0.00 0.52 0.00 0.00 34.95 31.06 1oxx s ARG 33 CO 0.28 -1.14 -0.11 0.12 0.02 0.00 0.00 175.30 174.48 1oxx s PHE 34 N 1.60 2.83 0.22 -0.53 5.36 0.09 -0.48 117.98 127.07 1oxx s PHE 34 Ca 0.04 -0.24 0.11 0.00 -0.96 0.00 0.00 56.93 55.89 1oxx s PHE 34 Cb -0.26 -1.74 -0.05 0.00 -0.34 0.00 0.00 43.02 40.64 1oxx s PHE 34 CO 0.05 0.11 -0.22 0.20 -1.46 0.00 0.00 175.22 173.90 1oxx s GLY 35 N -0.39 1.76 -0.09 13.12 0.00 -0.13 -1.27 107.32 120.32 1oxx s GLY 35 Ca 0.05 -1.72 0.02 0.00 0.00 0.00 0.00 44.72 43.07 1oxx s GLY 35 CO 0.02 -1.77 -0.16 -0.42 0.00 0.00 0.00 173.10 170.77 1oxx s ILE 36 N -2.00 1.49 0.11 0.90 -1.09 -0.03 -0.82 121.20 119.75 1oxx s ILE 36 Ca 0.24 -0.66 0.08 0.00 -2.23 0.00 0.00 60.65 58.08 1oxx s ILE 36 Cb -0.07 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.44 1oxx s ILE 36 CO 0.12 0.44 -0.16 -0.76 -1.23 0.00 0.00 174.94 173.34 1oxx s LEU 37 N 0.73 2.79 0.00 2.97 1.43 -0.40 -2.49 118.68 123.70 1oxx s LEU 37 Ca -0.12 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1oxx s LEU 37 Cb -0.16 -1.62 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1oxx s LEU 37 CO 0.03 0.18 0.00 0.61 0.23 0.00 0.00 176.35 177.40 1oxx n GLY 38 N 0.81 1.19 0.28 -3.19 0.00 -1.26 -0.21 105.19 102.80 1oxx n GLY 38 Ca -0.15 -0.77 0.17 0.00 0.00 0.00 0.00 46.02 45.27 1oxx n GLY 38 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1oxx h PRO 39 N 0.00 0.00 -4.40 1.61 0.11 -1.96 -3.43 132.00 123.93 1oxx h PRO 39 Ca 0.00 0.00 -0.72 0.00 0.11 0.00 0.00 66.00 65.39 1oxx h PRO 39 Cb 0.00 0.00 -0.29 0.00 0.11 0.00 0.00 31.00 30.82 1oxx h PRO 39 CO 0.00 0.01 -0.44 0.45 -0.21 0.00 0.00 178.00 177.81 1oxx s SER 40 N -5.70 5.65 0.20 -2.05 0.15 -1.26 -4.93 113.70 105.76 1oxx s SER 40 Ca 0.01 -1.66 -0.11 0.00 0.70 0.00 0.00 55.95 54.89 1oxx s SER 40 Cb 0.09 -1.99 0.23 0.00 -1.71 0.00 0.00 66.02 62.64 1oxx s SER 40 CO 0.54 -0.59 1.76 1.23 1.20 0.00 0.00 173.24 177.38 1oxx h GLY 41 N 8.41 0.81 0.83 9.45 0.00 -1.99 -0.44 103.07 120.13 1oxx h GLY 41 Ca -0.22 -0.14 0.03 0.00 0.00 0.00 0.00 47.33 47.00 1oxx h GLY 41 CO 0.79 0.02 0.26 0.00 0.00 0.00 0.00 176.54 177.62 1oxx h ALA 42 N 1.37 0.60 -0.39 3.60 0.00 -1.98 0.15 119.26 122.61 1oxx h ALA 42 Ca 0.28 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1oxx h ALA 42 Cb 0.30 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1oxx h ALA 42 CO -0.26 -0.07 -0.07 0.78 0.00 0.00 0.00 179.25 179.63 1oxx h GLY 43 N 0.52 0.80 1.02 0.00 0.00 -1.75 0.43 103.07 104.08 1oxx h GLY 43 Ca 0.20 -0.64 -0.05 0.00 0.00 0.00 0.00 47.33 46.84 1oxx h GLY 43 CO -0.11 0.59 0.22 0.50 0.00 0.00 0.00 176.54 177.73 1oxx h LYS 44 N 0.55 0.98 -0.29 4.80 1.57 -0.90 -1.08 116.57 122.20 1oxx h LYS 44 Ca 0.10 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 1oxx h LYS 44 Cb 0.58 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1oxx h LYS 44 CO 0.03 0.85 -0.28 1.15 -0.57 0.00 0.00 179.45 180.63 1oxx h THR 45 N 0.92 1.28 -0.26 -0.16 2.02 -0.42 -0.89 112.91 115.40 1oxx h THR 45 Ca 0.21 -1.37 0.01 0.00 0.77 0.00 0.00 66.41 66.03 1oxx h THR 45 Cb 0.27 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.02 1oxx h THR 45 CO -0.01 0.44 0.14 0.74 0.37 0.00 0.00 175.52 177.20 1oxx h THR 46 N 0.51 1.01 -0.45 3.16 2.02 0.18 0.23 112.91 119.56 1oxx h THR 46 Ca 0.07 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.20 1oxx h THR 46 Cb 0.75 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.80 1oxx h THR 46 CO 0.06 0.05 0.18 0.15 0.37 0.00 0.00 175.52 176.34 1oxx h PHE 47 N 0.30 0.33 -0.75 3.16 3.57 -0.88 -1.26 116.94 121.40 1oxx h PHE 47 Ca 0.10 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1oxx h PHE 47 Cb 0.01 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.64 1oxx h PHE 47 CO -0.08 0.14 0.27 1.98 -2.23 0.00 0.00 178.31 178.38 1oxx h MET 48 N 0.37 1.14 -0.30 1.11 4.05 -0.56 -1.25 114.93 119.49 1oxx h MET 48 Ca 0.21 -0.22 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1oxx h MET 48 Cb 0.18 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.79 1oxx h MET 48 CO -0.19 0.95 -0.07 0.00 0.23 0.00 0.00 176.91 177.82 1oxx h ARG 49 N 1.10 0.48 -0.31 0.39 3.08 -0.12 0.34 114.38 119.34 1oxx h ARG 49 Ca 0.25 -0.12 -0.09 0.00 0.07 0.00 0.00 59.98 60.09 1oxx h ARG 49 Cb 0.26 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 1oxx h ARG 49 CO -0.01 0.56 -0.16 0.82 -1.07 0.00 0.00 179.97 180.10 1oxx h ILE 50 N 0.45 1.29 -0.66 2.04 2.04 -0.55 0.47 117.51 122.60 1oxx h ILE 50 Ca 0.09 -1.27 -0.03 0.00 1.00 0.00 0.00 64.86 64.66 1oxx h ILE 50 Cb 0.40 1.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 1oxx h ILE 50 CO 0.02 0.41 0.31 0.40 0.00 0.00 0.00 178.15 179.28 1oxx h ILE 51 N 0.41 1.22 0.00 -0.67 1.08 -0.84 -2.79 117.51 115.92 1oxx h ILE 51 Ca 0.07 -0.62 -0.11 0.00 -0.39 0.00 0.00 64.86 63.81 1oxx h ILE 51 Cb 0.69 0.38 -0.02 0.00 -3.07 0.00 0.00 36.82 34.81 1oxx h ILE 51 CO 0.05 0.26 -0.52 0.00 -0.69 0.00 0.00 178.15 177.25 1oxx h ALA 52 N 1.41 0.97 0.00 1.87 0.00 -0.72 -3.47 119.26 119.31 1oxx h ALA 52 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1oxx h ALA 52 Cb 0.11 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1oxx h ALA 52 CO -0.03 0.65 0.00 0.41 0.00 0.00 0.00 179.25 180.28 1oxx n GLY 53 N 0.28 0.94 0.09 0.00 0.00 -0.16 -4.13 105.19 102.21 1oxx n GLY 53 Ca -0.01 -0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.14 1oxx n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oxx n LEU 54 N 0.00 0.76 -4.12 0.99 4.77 -0.03 -4.34 117.00 115.04 1oxx n LEU 54 Ca 0.00 0.48 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1oxx n LEU 54 Cb 0.00 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 1oxx n LEU 54 CO 0.00 -0.14 0.02 -0.62 -1.33 0.00 0.00 177.39 175.32 1oxx s ASP 55 N -4.39 0.56 0.08 -1.43 -1.08 -0.93 -4.96 116.67 104.52 1oxx s ASP 55 Ca 0.10 -1.36 0.03 0.00 -0.52 0.00 0.00 52.55 50.80 1oxx s ASP 55 Cb 0.13 0.56 -0.03 0.00 -1.46 0.00 0.00 42.92 42.11 1oxx s ASP 55 CO 0.63 -1.11 -0.09 0.68 0.52 0.00 0.00 175.17 175.79 1oxx s VAL 56 N -3.63 0.83 0.42 1.11 -7.23 -1.26 -4.24 120.40 106.39 1oxx s VAL 56 Ca 0.32 -1.56 -0.26 0.00 -1.81 0.00 0.00 61.98 58.67 1oxx s VAL 56 Cb 0.02 -1.25 -0.09 0.00 0.56 0.00 0.00 36.38 35.62 1oxx s VAL 56 CO 0.16 -0.55 1.42 -2.84 -0.31 0.00 0.00 175.10 172.98 1oxx s PRO 57 N -2.66 3.89 0.04 4.82 0.02 -1.26 -4.85 135.00 135.01 1oxx s PRO 57 Ca 0.03 2.41 -0.20 0.00 0.02 0.00 0.00 61.00 63.26 1oxx s PRO 57 Cb -0.03 -2.79 -0.14 0.00 0.02 0.00 0.00 34.50 31.56 1oxx s PRO 57 CO -0.01 -0.65 1.35 0.77 -0.33 0.00 0.00 177.00 178.14 1oxx h SER 58 N 2.64 0.39 -4.63 2.53 0.02 -0.83 0.19 113.55 113.85 1oxx h SER 58 Ca -0.51 -0.48 -0.26 0.00 -0.84 0.00 0.00 61.79 59.71 1oxx h SER 58 Cb 1.25 -0.11 -0.18 0.00 0.14 0.00 0.00 62.40 63.50 1oxx h SER 58 CO 0.62 0.79 -0.72 0.42 -1.14 0.00 0.00 176.83 176.81 1oxx s THR 59 N -4.32 0.68 0.00 -2.27 -4.23 -1.15 -3.01 115.64 101.34 1oxx s THR 59 Ca -0.14 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1oxx s THR 59 Cb 0.05 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.68 1oxx s THR 59 CO 0.76 -0.63 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 1oxx n GLY 60 N 0.64 0.40 3.11 3.99 0.00 -1.23 -1.13 105.19 110.96 1oxx n GLY 60 Ca -0.17 -2.08 -0.14 0.00 0.00 0.00 0.00 46.02 43.64 1oxx n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxx s GLU 61 N -1.09 0.65 -0.07 1.61 8.01 -0.24 -1.05 118.70 126.53 1oxx s GLU 61 Ca 0.00 -0.90 0.01 0.00 0.01 0.00 0.00 54.97 54.09 1oxx s GLU 61 Cb 0.00 -0.40 0.02 0.00 -4.31 0.00 0.00 34.13 29.44 1oxx s GLU 61 CO 0.00 0.07 -0.08 -1.17 0.01 0.00 0.00 175.26 174.09 1oxx s LEU 62 N -1.88 1.41 0.01 1.80 2.96 -0.59 -0.91 118.68 121.48 1oxx s LEU 62 Ca -0.04 -0.23 0.08 0.00 -0.22 0.00 0.00 54.13 53.72 1oxx s LEU 62 Cb -0.07 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 45.92 1oxx s LEU 62 CO 0.00 -0.03 -0.25 -0.31 -1.32 0.00 0.00 176.35 174.44 1oxx s TYR 63 N 0.97 2.20 -0.27 5.38 1.51 -0.21 -1.01 117.35 125.93 1oxx s TYR 63 Ca -0.09 -0.41 -0.03 0.00 -1.01 0.00 0.00 57.07 55.52 1oxx s TYR 63 Cb -0.15 -1.38 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1oxx s TYR 63 CO 0.00 0.02 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.39 1oxx s PHE 64 N -0.66 3.11 0.00 2.71 0.40 -0.11 -1.39 117.98 122.03 1oxx s PHE 64 Ca 0.10 -1.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.01 1oxx s PHE 64 Cb -0.10 -2.12 0.00 0.00 0.51 0.00 0.00 43.02 41.32 1oxx s PHE 64 CO 0.00 -0.69 0.00 -0.25 0.70 0.00 0.00 175.22 174.98 1oxx n ASP 65 N 4.72 0.00 -1.48 1.36 8.00 0.85 -0.91 116.55 129.09 1oxx n ASP 65 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.42 1oxx n ASP 65 Cb 0.47 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.91 1oxx n ASP 65 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1oxx n ASP 66 N 5.37 4.86 -4.67 -2.24 8.00 -1.26 -4.80 116.55 121.81 1oxx n ASP 66 Ca 0.00 -2.80 -0.38 0.00 0.71 0.00 0.00 54.79 52.32 1oxx n ASP 66 Cb 0.00 -0.60 -0.08 0.00 -0.02 0.00 0.00 41.12 40.43 1oxx n ASP 66 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1oxx s ARG 67 N -2.49 4.17 -0.30 -1.24 3.52 -0.09 -5.02 118.95 117.50 1oxx s ARG 67 Ca 0.49 0.20 -0.29 0.00 -0.13 0.00 0.00 55.73 56.00 1oxx s ARG 67 Cb 0.36 -3.54 -0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1oxx s ARG 67 CO 0.16 -0.06 1.41 -1.17 -0.81 0.00 0.00 175.30 174.83 1oxx s LEU 68 N 1.37 3.83 -0.03 -0.88 2.96 -1.26 -0.94 118.68 123.73 1oxx s LEU 68 Ca 0.19 1.25 0.21 0.00 -0.22 0.00 0.00 54.13 55.56 1oxx s LEU 68 Cb -0.15 -3.54 -0.32 0.00 0.50 0.00 0.00 46.19 42.69 1oxx s LEU 68 CO 0.08 -1.20 0.46 1.33 -1.32 0.00 0.00 176.35 175.71 1oxx n VAL 69 N 6.43 0.00 -3.54 1.68 0.24 -0.18 -4.50 118.33 118.47 1oxx n VAL 69 Ca 0.16 -0.46 -0.17 0.00 -2.04 0.00 0.00 64.34 61.83 1oxx n VAL 69 Cb 0.46 0.05 -0.06 0.00 -1.47 0.00 0.00 33.84 32.82 1oxx n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oxx s ALA 70 N -3.42 -1.77 -0.29 2.33 0.00 -1.19 -1.20 121.76 116.21 1oxx s ALA 70 Ca -0.07 1.43 -0.13 0.00 0.00 0.00 0.00 51.96 53.19 1oxx s ALA 70 Cb 0.13 -0.18 0.13 0.00 0.00 0.00 0.00 23.12 23.20 1oxx s ALA 70 CO 0.86 -0.36 0.76 0.45 0.00 0.00 0.00 175.76 177.46 1oxx s SER 71 N -0.96 -0.93 -1.26 0.00 0.15 -0.46 -1.55 113.70 108.70 1oxx s SER 71 Ca -0.09 1.33 -0.27 0.00 0.70 0.00 0.00 55.95 57.62 1oxx s SER 71 Cb -0.01 1.87 0.03 0.00 -1.71 0.00 0.00 66.02 66.21 1oxx s SER 71 CO 0.09 -0.19 0.60 0.59 1.20 0.00 0.00 173.24 175.52 1oxx n ASN 72 N 4.94 -3.46 0.00 5.45 3.02 -0.21 -1.08 115.26 123.91 1oxx n ASN 72 Ca -0.14 -1.25 0.00 0.00 -0.03 0.00 0.00 54.58 53.16 1oxx n ASN 72 Cb 0.53 -1.93 0.00 0.00 -0.61 0.00 0.00 39.78 37.76 1oxx n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oxx n GLY 73 N -2.11 1.11 3.39 7.41 0.00 0.65 -4.88 105.19 110.77 1oxx n GLY 73 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1oxx n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oxx s LYS 74 N -0.34 3.18 -0.22 1.61 0.00 -0.24 -5.00 119.74 118.72 1oxx s LYS 74 Ca 0.00 -0.69 -0.22 0.00 0.00 0.00 0.00 55.97 55.06 1oxx s LYS 74 Cb 0.00 -2.57 -0.02 0.00 0.00 0.00 0.00 37.83 35.24 1oxx s LYS 74 CO 0.00 0.31 0.68 -1.17 0.00 0.00 0.00 175.35 175.17 1oxx s LEU 75 N 0.10 4.11 -0.22 2.77 2.96 -1.26 -1.35 118.68 125.77 1oxx s LEU 75 Ca -0.06 0.85 -0.02 0.00 -0.22 0.00 0.00 54.13 54.67 1oxx s LEU 75 Cb -0.15 -2.95 -0.13 0.00 0.50 0.00 0.00 46.19 43.46 1oxx s LEU 75 CO 0.05 -0.36 -0.23 -0.38 -1.32 0.00 0.00 176.35 174.11 1oxx n ILE 76 N 4.96 1.27 -4.07 6.68 5.41 -0.34 -4.88 119.36 128.39 1oxx n ILE 76 Ca 0.00 -0.44 -0.32 0.00 1.00 0.00 0.00 62.75 63.00 1oxx n ILE 76 Cb 0.49 -1.44 -0.16 0.00 -0.71 0.00 0.00 39.64 37.83 1oxx n ILE 76 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1oxx s VAL 77 N -2.44 2.00 0.85 1.39 1.01 -0.61 -5.00 120.40 117.61 1oxx s VAL 77 Ca -0.30 -1.21 -0.11 0.00 0.00 0.00 0.00 61.98 60.35 1oxx s VAL 77 Cb 0.09 -1.98 0.10 0.00 0.00 0.00 0.00 36.38 34.59 1oxx s VAL 77 CO 0.48 0.25 1.09 -2.16 0.00 0.00 0.00 175.10 174.76 1oxx s PRO 78 N 1.24 1.66 0.26 2.72 0.04 -1.26 -4.85 135.00 134.81 1oxx s PRO 78 Ca -0.02 0.75 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 1oxx s PRO 78 Cb -0.16 -1.86 0.50 0.00 0.04 0.00 0.00 34.50 33.01 1oxx s PRO 78 CO -0.09 -1.95 1.76 -1.35 0.04 0.00 0.00 177.00 175.41 1oxx h PRO 79 N -1.33 0.57 0.00 0.56 0.11 -1.76 -1.61 132.00 128.54 1oxx h PRO 79 Ca -0.48 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1oxx h PRO 79 Cb 1.28 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1oxx h PRO 79 CO 0.57 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 1oxx n GLU 80 N -4.89 0.11 -0.16 1.05 0.00 -1.26 -1.65 120.64 113.83 1oxx n GLU 80 Ca 0.16 0.47 0.08 0.00 0.00 0.00 0.00 57.16 57.87 1oxx n GLU 80 Cb 0.41 -1.77 0.16 0.00 0.00 0.00 0.00 31.44 30.24 1oxx n GLU 80 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1oxx n ASP 81 N -1.99 2.94 -0.95 -1.84 8.00 -0.61 -4.61 116.55 117.50 1oxx n ASP 81 Ca 0.01 -1.88 0.12 0.00 0.71 0.00 0.00 54.79 53.75 1oxx n ASP 81 Cb 0.12 -0.21 0.22 0.00 -0.02 0.00 0.00 41.12 41.22 1oxx n ASP 81 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1oxx n ARG 82 N 0.88 2.27 -3.60 -1.24 1.74 -0.66 -4.96 116.66 111.10 1oxx n ARG 82 Ca 0.14 -1.89 -0.20 0.00 -0.77 0.00 0.00 57.85 55.13 1oxx n ARG 82 Cb 0.45 -1.48 0.05 0.00 -1.02 0.00 0.00 32.46 30.47 1oxx n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1oxx n LYS 83 N 1.19 -5.40 -4.60 5.56 5.02 -1.26 -4.81 118.16 113.85 1oxx n LYS 83 Ca 0.17 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 56.84 1oxx n LYS 83 Cb 0.55 -5.41 -0.12 0.00 -0.02 0.00 0.00 35.03 30.03 1oxx n LYS 83 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1oxx s ILE 84 N -3.56 3.25 -0.10 -0.18 1.01 -1.26 -0.22 121.20 120.14 1oxx s ILE 84 Ca 0.01 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.78 1oxx s ILE 84 Cb -0.00 -2.38 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 1oxx s ILE 84 CO 0.78 0.40 -0.19 -0.83 0.00 0.00 0.00 174.94 175.11 1oxx s GLY 85 N -1.32 1.43 -0.12 6.18 0.00 -0.10 -4.86 107.32 108.53 1oxx s GLY 85 Ca 0.15 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.94 1oxx s GLY 85 CO 0.06 -0.39 -0.18 1.06 0.00 0.00 0.00 173.10 173.65 1oxx s MET 86 N 0.12 3.22 -0.37 2.90 -1.94 -1.26 -0.53 119.30 121.43 1oxx s MET 86 Ca -0.09 -0.77 0.03 0.00 -1.71 0.00 0.00 55.69 53.14 1oxx s MET 86 Cb -0.15 -2.49 0.11 0.00 2.01 0.00 0.00 34.83 34.30 1oxx s MET 86 CO 0.06 0.18 0.11 0.08 -0.01 0.00 0.00 175.02 175.44 1oxx s VAL 87 N 0.39 1.97 -0.07 -6.03 1.01 -0.11 -4.57 120.40 113.00 1oxx s VAL 87 Ca -0.14 -2.34 0.05 0.00 0.00 0.00 0.00 61.98 59.54 1oxx s VAL 87 Cb -0.17 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.77 1oxx s VAL 87 CO 0.06 -0.68 -0.22 -0.36 0.00 0.00 0.00 175.10 173.91 1oxx s PHE 88 N 0.79 2.27 0.42 5.22 0.08 -1.26 -1.75 117.98 123.74 1oxx s PHE 88 Ca 0.12 -0.79 0.16 0.00 0.12 0.00 0.00 56.93 56.54 1oxx s PHE 88 Cb -0.20 -1.51 1.04 0.00 -0.57 0.00 0.00 43.02 41.77 1oxx s PHE 88 CO -0.09 -0.29 1.89 0.37 -0.10 0.00 0.00 175.22 177.00 1oxx h GLN 89 N 6.42 0.43 -0.00 0.44 4.15 -1.53 0.12 115.11 125.15 1oxx h GLN 89 Ca -0.27 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.12 1oxx h GLN 89 Cb 1.20 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1oxx h GLN 89 CO 0.47 0.29 -0.06 0.25 -1.93 0.00 0.00 178.83 177.85 1oxx n THR 90 N -4.50 0.00 -3.50 2.39 -2.24 -1.26 -4.47 114.28 100.70 1oxx n THR 90 Ca 0.17 -0.04 -0.42 0.00 -2.27 0.00 0.00 64.05 61.48 1oxx n THR 90 Cb 0.59 -0.24 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1oxx n THR 90 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1oxx s TRP 91 N -2.41 3.59 0.78 4.78 -0.00 0.42 -5.07 118.94 121.02 1oxx s TRP 91 Ca 0.32 -2.29 -0.10 0.00 -0.00 0.00 0.00 56.10 54.03 1oxx s TRP 91 Cb 0.20 -3.54 0.08 0.00 -0.00 0.00 0.00 33.47 30.21 1oxx s TRP 91 CO 0.45 -0.93 1.12 0.00 -0.00 0.00 0.00 176.95 177.60 1oxx s ALA 92 N 0.13 2.83 0.53 5.86 0.00 -1.26 -4.65 121.76 125.20 1oxx s ALA 92 Ca 0.17 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 51.15 1oxx s ALA 92 Cb -0.15 -2.80 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 1oxx s ALA 92 CO -0.06 -1.58 1.04 -0.51 0.00 0.00 0.00 175.76 174.66 1oxx s LEU 93 N -5.47 3.68 -0.18 0.00 1.43 -1.26 -4.98 118.68 111.90 1oxx s LEU 93 Ca 0.62 1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 55.29 1oxx s LEU 93 Cb -0.10 -4.55 -0.01 0.00 0.03 0.00 0.00 46.19 41.56 1oxx s LEU 93 CO 0.48 -0.94 1.25 -0.31 0.23 0.00 0.00 176.35 177.06 1oxx s TYR 94 N -2.22 2.87 0.45 0.29 1.51 -1.26 -4.91 117.35 114.07 1oxx s TYR 94 Ca 0.65 1.03 0.19 0.00 -1.01 0.00 0.00 57.07 57.93 1oxx s TYR 94 Cb -0.16 -3.52 1.17 0.00 -0.11 0.00 0.00 41.96 39.34 1oxx s TYR 94 CO 0.28 -1.60 2.03 -1.00 -1.11 0.00 0.00 175.55 174.14 1oxx h PRO 95 N 8.24 0.00 -0.55 -1.71 0.13 -1.99 -2.75 132.00 133.37 1oxx h PRO 95 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.73 1oxx h PRO 95 Cb 1.10 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.14 1oxx h PRO 95 CO 0.98 0.16 0.13 -1.71 -0.23 0.00 0.00 178.00 177.33 1oxx n ASN 96 N -4.10 4.26 -4.38 1.44 5.15 -1.26 -4.46 115.26 111.92 1oxx n ASN 96 Ca -0.02 -3.25 -0.31 0.00 -0.60 0.00 0.00 54.58 50.40 1oxx n ASN 96 Cb 0.24 -0.67 -0.14 0.00 -0.53 0.00 0.00 39.78 38.67 1oxx n ASN 96 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1oxx s LEU 97 N -2.99 2.31 1.09 1.20 1.43 -1.04 -5.12 118.68 115.57 1oxx s LEU 97 Ca 0.50 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 1oxx s LEU 97 Cb 0.41 -1.40 0.24 0.00 0.03 0.00 0.00 46.19 45.46 1oxx s LEU 97 CO 0.10 0.30 1.09 0.42 0.23 0.00 0.00 176.35 178.49 1oxx s THR 98 N -0.74 1.85 0.20 5.49 -4.23 -1.26 -4.28 115.64 112.67 1oxx s THR 98 Ca 0.12 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 60.52 1oxx s THR 98 Cb -0.10 -2.46 0.11 0.00 1.34 0.00 0.00 72.50 71.39 1oxx s THR 98 CO 0.01 0.00 1.79 0.00 -0.54 0.00 0.00 174.62 175.89 1oxx h ALA 99 N -2.23 0.77 -0.18 3.99 0.00 -0.63 0.13 119.26 121.12 1oxx h ALA 99 Ca -0.52 0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.45 1oxx h ALA 99 Cb 1.32 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 1oxx h ALA 99 CO 0.49 -0.03 -0.04 0.35 0.00 0.00 0.00 179.25 180.03 1oxx h PHE 100 N 0.58 -0.08 -0.51 0.00 3.57 -1.42 -1.12 116.94 117.97 1oxx h PHE 100 Ca 0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.74 1oxx h PHE 100 Cb 0.17 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.95 1oxx h PHE 100 CO -0.09 -0.07 0.16 0.93 -2.23 0.00 0.00 178.31 177.01 1oxx h GLU 101 N 0.01 0.75 -0.51 1.11 5.08 -1.66 -0.11 114.58 119.26 1oxx h GLU 101 Ca 0.09 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1oxx h GLU 101 Cb 0.13 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1oxx h GLU 101 CO -0.18 0.65 0.08 -0.91 -1.00 0.00 0.00 179.01 177.65 1oxx h ASN 102 N 0.74 0.81 0.35 1.42 2.35 -0.28 -1.81 115.58 119.15 1oxx h ASN 102 Ca 0.17 -0.26 -0.16 0.00 -0.55 0.00 0.00 56.30 55.50 1oxx h ASN 102 Cb 0.21 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1oxx h ASN 102 CO -0.01 0.86 -0.65 0.40 -1.65 0.00 0.00 177.43 176.39 1oxx h ILE 103 N 0.72 1.39 0.00 2.81 2.04 -0.78 -3.16 117.51 120.54 1oxx h ILE 103 Ca 0.15 -2.06 -0.05 0.00 1.00 0.00 0.00 64.86 63.90 1oxx h ILE 103 Cb 0.40 2.05 -0.01 0.00 -0.74 0.00 0.00 36.82 38.53 1oxx h ILE 103 CO 0.01 0.61 -0.25 0.00 0.00 0.00 0.00 178.15 178.52 1oxx h ALA 104 N 1.12 0.90 -0.69 1.87 0.00 -0.92 -3.37 119.26 118.18 1oxx h ALA 104 Ca -0.01 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.82 1oxx h ALA 104 Cb 1.18 -0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.81 1oxx h ALA 104 CO 0.10 0.31 0.03 0.35 0.00 0.00 0.00 179.25 180.04 1oxx h PHE 105 N 0.00 -0.00 0.00 0.00 3.57 -1.29 0.97 116.94 120.18 1oxx h PHE 105 Ca -0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1oxx h PHE 105 Cb 0.99 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.84 1oxx h PHE 105 CO 0.00 -0.18 0.00 -1.35 -2.23 0.00 0.00 178.31 174.55 1oxx h PRO 106 N 0.13 0.00 -0.01 6.41 0.11 -1.80 -2.38 132.00 134.46 1oxx h PRO 106 Ca 0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.48 1oxx h PRO 106 Cb 0.62 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1oxx h PRO 106 CO -0.58 0.00 -0.10 1.28 -0.21 0.00 0.00 178.00 178.39 1oxx n LEU 107 N -2.36 1.45 -0.25 2.35 4.77 0.33 -4.51 117.00 118.77 1oxx n LEU 107 Ca -0.00 -0.46 0.06 0.00 -0.03 0.00 0.00 56.01 55.58 1oxx n LEU 107 Cb 0.12 -0.04 0.19 0.00 -2.33 0.00 0.00 43.42 41.35 1oxx n LEU 107 CO 0.15 0.25 0.94 0.74 -1.33 0.00 0.00 177.39 178.14 1oxx h THR 108 N 2.11 0.52 -0.61 -5.08 2.02 -1.46 -2.37 112.91 108.04 1oxx h THR 108 Ca 0.00 -0.10 -0.43 0.00 0.77 0.00 0.00 66.41 66.66 1oxx h THR 108 Cb 0.54 0.21 -0.30 0.00 -1.74 0.00 0.00 68.15 66.86 1oxx h THR 108 CO 0.00 0.05 -0.44 0.59 0.37 0.00 0.00 175.52 176.10 1oxx n ASN 109 N -5.14 4.42 -1.67 4.18 3.02 -1.26 -4.66 115.26 114.14 1oxx n ASN 109 Ca 0.15 -3.79 0.06 0.00 -0.03 0.00 0.00 54.58 50.97 1oxx n ASN 109 Cb 0.47 -0.50 0.36 0.00 -0.61 0.00 0.00 39.78 39.50 1oxx n ASN 109 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1oxx n MET 110 N -0.87 4.28 -3.74 3.52 2.81 -0.89 -4.94 117.12 117.29 1oxx n MET 110 Ca 0.41 -3.09 -0.27 0.00 -1.81 0.00 0.00 57.70 52.94 1oxx n MET 110 Cb 0.90 -2.16 0.05 0.00 -0.71 0.00 0.00 33.22 31.30 1oxx n MET 110 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1oxx n LYS 111 N 0.24 -6.46 -4.48 0.03 5.02 -1.26 -4.99 118.16 106.25 1oxx n LYS 111 Ca 0.28 0.70 -0.33 0.00 -2.02 0.00 0.00 58.31 56.94 1oxx n LYS 111 Cb 1.15 -5.66 -0.10 0.00 -0.02 0.00 0.00 35.03 30.40 1oxx n LYS 111 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1oxx s MET 112 N -6.45 2.74 0.99 1.97 -1.94 -1.26 -5.12 119.30 110.22 1oxx s MET 112 Ca 0.62 -0.58 -0.13 0.00 -1.71 0.00 0.00 55.69 53.88 1oxx s MET 112 Cb -0.29 -2.61 0.18 0.00 2.01 0.00 0.00 34.83 34.11 1oxx s MET 112 CO 0.76 0.65 1.13 -1.54 -0.01 0.00 0.00 175.02 176.01 1oxx s SER 113 N -1.11 2.81 0.19 3.03 1.04 -1.26 -4.78 113.70 113.62 1oxx s SER 113 Ca 0.15 0.94 -0.12 0.00 0.48 0.00 0.00 55.95 57.40 1oxx s SER 113 Cb -0.11 -1.47 0.16 0.00 0.10 0.00 0.00 66.02 64.71 1oxx s SER 113 CO 0.05 -2.98 1.81 0.50 0.98 0.00 0.00 173.24 173.59 1oxx h LYS 114 N -1.80 0.63 -0.39 4.02 3.64 -1.99 -0.91 116.57 119.78 1oxx h LYS 114 Ca -0.51 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 58.73 1oxx h LYS 114 Cb 1.32 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1oxx h LYS 114 CO 0.55 0.42 -0.20 0.93 -2.27 0.00 0.00 179.45 178.89 1oxx h GLU 115 N 0.65 0.74 -0.39 1.90 4.39 -1.99 -1.26 114.58 118.62 1oxx h GLU 115 Ca 0.25 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 1oxx h GLU 115 Cb 0.09 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1oxx h GLU 115 CO -0.14 0.89 0.06 0.93 -1.16 0.00 0.00 179.01 179.59 1oxx h GLU 116 N 0.66 0.65 -0.50 2.33 5.08 -1.77 -0.46 114.58 120.56 1oxx h GLU 116 Ca 0.10 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1oxx h GLU 116 Cb 0.69 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1oxx h GLU 116 CO 0.05 0.70 0.33 0.82 -1.00 0.00 0.00 179.01 179.91 1oxx h ILE 117 N 0.49 1.13 -0.44 3.13 2.04 -1.01 -1.97 117.51 120.88 1oxx h ILE 117 Ca 0.12 -0.24 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 1oxx h ILE 117 Cb 0.37 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1oxx h ILE 117 CO 0.01 0.13 0.15 -0.09 0.00 0.00 0.00 178.15 178.35 1oxx h ARG 118 N 0.67 0.67 -0.77 2.37 2.43 -0.96 -0.50 114.38 118.29 1oxx h ARG 118 Ca 0.18 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1oxx h ARG 118 Cb -0.07 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.34 1oxx h ARG 118 CO -0.04 0.64 0.31 0.87 -1.51 0.00 0.00 179.97 180.25 1oxx h LYS 119 N 0.57 1.15 -0.15 0.20 1.57 -1.00 -0.15 116.57 118.76 1oxx h LYS 119 Ca 0.14 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1oxx h LYS 119 Cb 0.24 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 1oxx h LYS 119 CO -0.01 0.94 -0.11 -0.09 -0.57 0.00 0.00 179.45 179.61 1oxx h ARG 120 N 1.12 0.34 -0.44 3.15 9.65 -0.94 -0.79 114.38 126.47 1oxx h ARG 120 Ca 0.26 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 1oxx h ARG 120 Cb 0.21 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.77 1oxx h ARG 120 CO -0.02 0.69 0.28 0.28 2.80 0.00 0.00 179.97 184.00 1oxx h VAL 121 N -0.01 1.13 -0.61 0.20 2.07 -0.95 -1.75 116.25 116.32 1oxx h VAL 121 Ca 0.03 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1oxx h VAL 121 Cb 0.61 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1oxx h VAL 121 CO 0.03 0.13 0.20 -0.33 0.02 0.00 0.00 177.57 177.62 1oxx h GLU 122 N 0.60 0.91 -0.12 1.57 5.08 -0.95 -0.15 114.58 121.52 1oxx h GLU 122 Ca 0.16 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1oxx h GLU 122 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1oxx h GLU 122 CO -0.03 0.78 0.04 1.49 -1.00 0.00 0.00 179.01 180.28 1oxx h GLU 123 N 0.89 0.19 -0.55 2.33 4.81 -0.80 0.07 114.58 121.52 1oxx h GLU 123 Ca 0.20 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.29 1oxx h GLU 123 Cb 0.24 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1oxx h GLU 123 CO -0.01 0.32 -0.05 0.28 -0.73 0.00 0.00 179.01 178.82 1oxx h VAL 124 N 0.02 1.27 -0.66 0.32 2.07 -1.18 -2.04 116.25 116.05 1oxx h VAL 124 Ca 0.04 -1.19 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1oxx h VAL 124 Cb 0.21 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1oxx h VAL 124 CO -0.00 0.42 0.27 0.00 0.02 0.00 0.00 177.57 178.28 1oxx h ALA 125 N 0.94 1.23 -0.40 1.67 0.00 -0.85 -1.91 119.26 119.94 1oxx h ALA 125 Ca 0.15 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1oxx h ALA 125 Cb 0.61 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1oxx h ALA 125 CO 0.04 0.57 0.08 1.57 0.00 0.00 0.00 179.25 181.51 1oxx h LYS 126 N 0.95 0.65 -0.71 0.00 2.10 -0.70 -0.23 116.57 118.63 1oxx h LYS 126 Ca 0.22 -0.16 0.01 0.00 -2.00 0.00 0.00 60.65 58.71 1oxx h LYS 126 Cb 0.18 -0.08 -0.04 0.00 -0.90 0.00 0.00 32.23 31.39 1oxx h LYS 126 CO -0.02 0.68 0.46 0.82 -2.00 0.00 0.00 179.45 179.40 1oxx h ILE 127 N 0.50 1.19 -0.57 0.07 2.04 -1.04 -2.18 117.51 117.53 1oxx h ILE 127 Ca 0.12 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1oxx h ILE 127 Cb 0.34 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1oxx h ILE 127 CO 0.00 0.18 0.00 0.18 0.00 0.00 0.00 178.15 178.52 1oxx n LEU 128 N -4.42 3.03 -3.81 1.44 4.77 -0.75 -4.95 117.00 112.31 1oxx n LEU 128 Ca 0.07 -1.51 -0.25 0.00 -0.03 0.00 0.00 56.01 54.29 1oxx n LEU 128 Cb 0.04 -0.38 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 1oxx n LEU 128 CO 0.36 0.76 -0.02 -0.67 -1.33 0.00 0.00 177.39 176.49 1oxx n ASP 129 N 1.16 -2.38 -0.14 -1.43 2.03 -0.49 -4.88 116.55 110.41 1oxx n ASP 129 Ca 0.19 -0.83 0.03 0.00 0.52 0.00 0.00 54.79 54.71 1oxx n ASP 129 Cb 0.48 -3.89 0.05 0.00 -0.72 0.00 0.00 41.12 37.04 1oxx n ASP 129 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1oxx n ILE 130 N -4.43 0.86 -0.03 5.18 -5.35 -0.22 -4.81 119.36 110.55 1oxx n ILE 130 Ca -0.18 -0.98 0.06 0.00 -0.27 0.00 0.00 62.75 61.38 1oxx n ILE 130 Cb 0.62 0.36 0.44 0.00 -1.74 0.00 0.00 39.64 39.31 1oxx n ILE 130 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 1oxx h HIS 131 N 0.00 0.52 0.00 4.28 2.76 -1.84 -2.32 115.15 118.55 1oxx h HIS 131 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1oxx h HIS 131 Cb 0.97 -0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.76 1oxx h HIS 131 CO 0.02 0.31 0.00 -2.39 -1.30 0.00 0.00 177.93 174.57 1oxx n HIS 132 N -4.47 0.00 -1.09 5.26 1.44 -1.26 -3.16 115.22 111.93 1oxx n HIS 132 Ca 0.05 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 55.86 1oxx n HIS 132 Cb 0.14 -0.29 0.14 0.00 0.12 0.00 0.00 29.99 30.09 1oxx n HIS 132 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1oxx n VAL 133 N -1.29 1.84 0.21 0.61 0.24 -0.88 -4.79 118.33 114.26 1oxx n VAL 133 Ca 0.14 -2.20 0.13 0.00 -2.04 0.00 0.00 64.34 60.36 1oxx n VAL 133 Cb 0.24 -0.22 0.73 0.00 -1.47 0.00 0.00 33.84 33.12 1oxx n VAL 133 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1oxx h LEU 134 N 0.00 0.00 -0.17 1.34 3.38 -1.52 -1.79 115.31 116.54 1oxx h LEU 134 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oxx h LEU 134 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1oxx h LEU 134 CO 0.00 0.00 -0.11 0.59 0.09 0.00 0.00 178.44 179.01 1oxx n ASN 135 N -4.25 0.38 -4.79 -0.43 5.03 -1.26 -1.15 115.26 108.79 1oxx n ASN 135 Ca 0.00 -0.42 -0.36 0.00 0.87 0.00 0.00 54.58 54.67 1oxx n ASN 135 Cb 0.22 -0.11 -0.06 0.00 -1.02 0.00 0.00 39.78 38.81 1oxx n ASN 135 CO 0.00 0.00 0.00 -1.00 -1.83 0.00 0.00 177.26 174.43 1oxx s HIS 136 N -2.56 3.51 0.56 3.10 3.76 -0.67 -4.74 115.29 118.26 1oxx s HIS 136 Ca 0.27 1.71 -0.15 0.00 -0.15 0.00 0.00 55.06 56.73 1oxx s HIS 136 Cb 0.20 -2.94 -0.06 0.00 1.11 0.00 0.00 32.58 30.90 1oxx s HIS 136 CO 0.49 -0.02 1.02 -0.06 -0.85 0.00 0.00 174.74 175.32 1oxx s PHE 137 N -1.78 3.29 0.38 1.40 0.40 -1.26 -0.50 117.98 119.91 1oxx s PHE 137 Ca 0.55 1.46 0.15 0.00 -0.60 0.00 0.00 56.93 58.49 1oxx s PHE 137 Cb -0.17 -2.87 1.00 0.00 0.51 0.00 0.00 43.02 41.50 1oxx s PHE 137 CO 0.21 -0.71 1.80 -1.35 0.70 0.00 0.00 175.22 175.88 1oxx h PRO 138 N 0.53 0.49 0.00 0.24 0.11 -1.78 -1.07 132.00 130.52 1oxx h PRO 138 Ca -0.46 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1oxx h PRO 138 Cb 1.20 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1oxx h PRO 138 CO 0.60 0.32 -0.06 -0.09 -0.21 0.00 0.00 178.00 178.57 1oxx h ARG 139 N 0.50 0.00 -0.26 1.05 2.43 -1.93 -1.12 114.38 115.05 1oxx h ARG 139 Ca 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.72 1oxx h ARG 139 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 1oxx h ARG 139 CO -0.28 0.06 0.00 0.39 -1.51 0.00 0.00 179.97 178.63 1oxx n GLU 140 N -4.37 1.90 -3.70 0.20 4.71 -0.41 -4.87 120.64 114.09 1oxx n GLU 140 Ca -0.03 -1.36 -0.30 0.00 -0.01 0.00 0.00 57.16 55.45 1oxx n GLU 140 Cb 0.14 -1.39 -0.04 0.00 -1.01 0.00 0.00 31.44 29.14 1oxx n GLU 140 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 1oxx s LEU 141 N -1.40 4.27 0.94 -4.62 1.43 -0.43 -4.96 118.68 113.91 1oxx s LEU 141 Ca 0.32 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1oxx s LEU 141 Cb 0.17 -3.24 0.15 0.00 0.03 0.00 0.00 46.19 43.30 1oxx s LEU 141 CO 0.25 0.04 1.10 -0.94 0.23 0.00 0.00 176.35 177.03 1oxx s SER 142 N -2.61 3.19 0.19 2.29 1.04 -1.26 -4.79 113.70 111.74 1oxx s SER 142 Ca 0.40 1.25 -0.12 0.00 0.48 0.00 0.00 55.95 57.96 1oxx s SER 142 Cb -0.12 -1.91 0.18 0.00 0.10 0.00 0.00 66.02 64.26 1oxx s SER 142 CO 0.26 -2.79 1.77 1.23 0.98 0.00 0.00 173.24 174.69 1oxx h GLY 143 N -1.65 0.73 1.06 7.32 0.00 -1.98 -0.13 103.07 108.42 1oxx h GLY 143 Ca -0.52 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 46.60 1oxx h GLY 143 CO 0.58 0.06 0.19 0.00 0.00 0.00 0.00 176.54 177.36 1oxx h ALA 144 N 1.32 0.94 -0.59 3.60 0.00 -1.98 -1.11 119.26 121.43 1oxx h ALA 144 Ca 0.25 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1oxx h ALA 144 Cb 0.21 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1oxx h ALA 144 CO -0.21 0.65 0.10 1.96 0.00 0.00 0.00 179.25 181.76 1oxx h GLN 145 N 1.07 0.95 -0.68 0.00 4.20 -1.78 -0.95 115.11 117.93 1oxx h GLN 145 Ca 0.23 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.65 1oxx h GLN 145 Cb 0.36 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1oxx h GLN 145 CO 0.00 0.88 0.20 1.96 -0.67 0.00 0.00 178.83 181.20 1oxx h GLN 146 N 0.90 1.06 -0.47 1.46 4.20 -0.56 0.10 115.11 121.81 1oxx h GLN 146 Ca 0.19 -0.24 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1oxx h GLN 146 Cb 0.39 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.99 1oxx h GLN 146 CO 0.01 0.93 0.27 0.37 -0.67 0.00 0.00 178.83 179.74 1oxx h GLN 147 N 1.00 0.53 -0.35 1.46 5.75 -0.86 -0.83 115.11 121.81 1oxx h GLN 147 Ca 0.22 -0.03 -0.10 0.00 -0.15 0.00 0.00 58.65 58.58 1oxx h GLN 147 Cb 0.32 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 1oxx h GLN 147 CO -0.00 0.35 -0.20 0.00 -2.65 0.00 0.00 178.83 176.33 1oxx h ARG 148 N 0.54 0.67 -0.62 1.69 3.08 -0.75 -0.66 114.38 118.33 1oxx h ARG 148 Ca 0.19 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 1oxx h ARG 148 Cb 0.03 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1oxx h ARG 148 CO -0.09 0.82 0.06 0.28 -1.07 0.00 0.00 179.97 179.96 1oxx h VAL 149 N 0.59 1.26 -0.76 2.04 2.07 -0.63 0.12 116.25 120.95 1oxx h VAL 149 Ca 0.09 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 1oxx h VAL 149 Cb 0.66 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1oxx h VAL 149 CO 0.05 0.40 0.29 0.00 0.02 0.00 0.00 177.57 178.32 1oxx h ALA 150 N 1.01 0.98 -0.54 1.67 0.00 -0.87 -0.24 119.26 121.27 1oxx h ALA 150 Ca 0.18 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1oxx h ALA 150 Cb 0.49 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1oxx h ALA 150 CO 0.02 0.62 -0.12 1.25 0.00 0.00 0.00 179.25 181.01 1oxx h LEU 151 N 1.10 1.03 -0.56 0.00 5.85 -0.90 -2.15 115.31 119.68 1oxx h LEU 151 Ca 0.25 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1oxx h LEU 151 Cb 0.23 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1oxx h LEU 151 CO -0.02 1.15 0.32 0.00 -0.34 0.00 0.00 178.44 179.54 1oxx h ALA 152 N 0.94 0.71 -0.76 1.25 0.00 -0.56 -1.62 119.26 119.22 1oxx h ALA 152 Ca 0.14 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1oxx h ALA 152 Cb 0.69 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 1oxx h ALA 152 CO 0.05 0.22 0.43 -0.09 0.00 0.00 0.00 179.25 179.87 1oxx h ARG 153 N 0.75 0.75 0.00 0.00 2.43 -0.92 -1.28 114.38 116.11 1oxx h ARG 153 Ca 0.20 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1oxx h ARG 153 Cb 0.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1oxx h ARG 153 CO -0.03 0.50 -0.20 0.00 -1.51 0.00 0.00 179.97 178.72 1oxx h ALA 154 N 1.40 1.32 -0.01 2.80 0.00 -0.69 -3.22 119.26 120.86 1oxx h ALA 154 Ca 0.35 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1oxx h ALA 154 Cb 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oxx h ALA 154 CO -0.21 0.25 -0.68 1.28 0.00 0.00 0.00 179.25 179.90 1oxx n LEU 155 N -3.79 1.44 0.24 0.00 4.77 -0.68 -4.09 117.00 114.89 1oxx n LEU 155 Ca -0.02 -0.63 0.08 0.00 -0.03 0.00 0.00 56.01 55.41 1oxx n LEU 155 Cb 0.31 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 42.00 1oxx n LEU 155 CO 0.33 0.30 0.95 1.62 -1.33 0.00 0.00 177.39 179.26 1oxx h VAL 156 N 1.17 0.93 -0.51 4.08 3.04 -1.27 -1.82 116.25 121.87 1oxx h VAL 156 Ca 0.00 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1oxx h VAL 156 Cb 0.59 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.16 1oxx h VAL 156 CO 0.00 0.14 0.00 0.29 -1.01 0.00 0.00 177.57 176.99 1oxx n LYS 157 N -4.12 4.00 -3.43 4.17 5.02 -1.26 -4.98 118.16 117.56 1oxx n LYS 157 Ca -0.02 -2.60 -0.26 0.00 -2.02 0.00 0.00 58.31 53.41 1oxx n LYS 157 Cb 0.22 -2.04 0.02 0.00 -0.02 0.00 0.00 35.03 33.21 1oxx n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1oxx n ASP 158 N 0.66 -5.98 -4.84 4.39 2.03 -0.69 -4.97 116.55 107.16 1oxx n ASP 158 Ca 0.23 -0.24 -0.30 0.00 0.52 0.00 0.00 54.79 55.00 1oxx n ASP 158 Cb 0.97 -2.66 0.07 0.00 -0.72 0.00 0.00 41.12 38.78 1oxx n ASP 158 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1oxx s PRO 159 N -3.19 2.40 -0.02 -0.67 0.04 -1.26 -4.98 135.00 127.31 1oxx s PRO 159 Ca 0.22 0.55 0.21 0.00 0.04 0.00 0.00 61.00 62.02 1oxx s PRO 159 Cb -0.03 -1.96 -0.31 0.00 0.04 0.00 0.00 34.50 32.24 1oxx s PRO 159 CO 0.85 -1.38 0.57 0.43 0.04 0.00 0.00 177.00 177.51 1oxx n SER 160 N -3.25 0.28 -3.82 6.66 7.64 0.69 -4.88 113.62 116.94 1oxx n SER 160 Ca 0.07 -0.23 -0.18 0.00 1.01 0.00 0.00 58.87 59.54 1oxx n SER 160 Cb 0.57 1.76 -0.16 0.00 -1.01 0.00 0.00 64.21 65.36 1oxx n SER 160 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1oxx s LEU 161 N -4.15 1.11 -0.19 -3.43 2.96 -0.96 -1.60 118.68 112.42 1oxx s LEU 161 Ca -0.04 -0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1oxx s LEU 161 Cb 0.14 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.56 1oxx s LEU 161 CO 0.89 -0.11 -0.04 -0.22 -1.32 0.00 0.00 176.35 175.55 1oxx s LEU 162 N 1.12 3.02 -0.17 -0.68 2.96 -0.09 -0.93 118.68 123.90 1oxx s LEU 162 Ca -0.08 -0.30 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1oxx s LEU 162 Cb -0.13 -1.75 -0.01 0.00 0.50 0.00 0.00 46.19 44.79 1oxx s LEU 162 CO -0.02 0.05 -0.07 -0.76 -1.32 0.00 0.00 176.35 174.23 1oxx s LEU 163 N 1.06 2.91 -0.13 -0.68 1.43 0.31 -1.59 118.68 121.98 1oxx s LEU 163 Ca 0.01 -0.31 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1oxx s LEU 163 Cb -0.15 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.39 1oxx s LEU 163 CO 0.00 0.09 -0.16 -0.76 0.23 0.00 0.00 176.35 175.75 1oxx s LEU 164 N 0.81 1.78 -0.27 1.79 1.02 -0.06 -0.94 118.68 122.82 1oxx s LEU 164 Ca -0.03 -0.48 0.02 0.00 0.02 0.00 0.00 54.13 53.67 1oxx s LEU 164 Cb -0.15 -1.19 0.07 0.00 0.02 0.00 0.00 46.19 44.94 1oxx s LEU 164 CO 0.01 0.00 -0.06 -0.62 0.02 0.00 0.00 176.35 175.71 1oxx s ASP 165 N 1.13 4.28 -1.40 2.29 -1.08 -0.72 -0.99 116.67 120.18 1oxx s ASP 165 Ca -0.03 -1.45 -0.02 0.00 -0.52 0.00 0.00 52.55 50.54 1oxx s ASP 165 Cb -0.14 -1.41 0.01 0.00 -1.46 0.00 0.00 42.92 39.92 1oxx s ASP 165 CO -0.05 -0.24 0.53 -0.62 0.52 0.00 0.00 175.17 175.31 1oxx n GLU 166 N 4.50 -3.82 0.18 4.34 -0.58 -0.69 -1.81 120.64 122.76 1oxx n GLU 166 Ca -0.10 0.47 0.14 0.00 -0.42 0.00 0.00 57.16 57.25 1oxx n GLU 166 Cb 0.43 -4.77 0.57 0.00 -0.57 0.00 0.00 31.44 27.10 1oxx n GLU 166 CO 0.00 0.00 0.00 -1.00 -0.48 0.00 0.00 177.13 175.65 1oxx h PRO 167 N -1.84 0.00 -0.09 3.49 0.13 -1.83 -3.05 132.00 128.81 1oxx h PRO 167 Ca -0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1oxx h PRO 167 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 1oxx h PRO 167 CO 0.62 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.58 1oxx n PHE 168 N -2.53 0.12 0.71 1.56 3.01 -1.26 -4.70 117.46 114.37 1oxx n PHE 168 Ca 0.01 -0.32 0.10 0.00 1.01 0.00 0.00 57.45 58.25 1oxx n PHE 168 Cb 0.24 -0.03 0.45 0.00 -0.01 0.00 0.00 39.48 40.14 1oxx n PHE 168 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 1oxx n SER 169 N 0.03 0.03 0.10 4.37 7.64 -1.15 -2.17 113.62 122.47 1oxx n SER 169 Ca 0.04 0.51 0.12 0.00 1.01 0.00 0.00 58.87 60.55 1oxx n SER 169 Cb 0.25 -0.51 0.23 0.00 -1.01 0.00 0.00 64.21 63.16 1oxx n SER 169 CO 0.00 0.00 0.00 0.78 -3.01 0.00 0.00 175.04 172.81 1oxx h ASN 170 N 0.00 0.00 -3.53 6.43 2.35 -1.84 -3.47 115.58 115.52 1oxx h ASN 170 Ca 0.00 -0.10 -0.52 0.00 -0.55 0.00 0.00 56.30 55.13 1oxx h ASN 170 Cb 0.37 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1oxx h ASN 170 CO 0.00 0.05 -0.04 -0.76 -1.65 0.00 0.00 177.43 175.03 1oxx s LEU 171 N -4.65 4.12 0.52 1.61 1.43 -0.92 -5.04 118.68 115.75 1oxx s LEU 171 Ca 0.07 1.04 -0.22 0.00 -1.03 0.00 0.00 54.13 53.98 1oxx s LEU 171 Cb 0.12 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 1oxx s LEU 171 CO 0.68 -0.13 1.36 1.51 0.23 0.00 0.00 176.35 179.99 1oxx s ASP 172 N -2.39 5.45 0.33 2.29 -4.77 -1.26 -4.87 116.67 111.45 1oxx s ASP 172 Ca 0.50 2.76 0.11 0.00 -3.30 0.00 0.00 52.55 52.61 1oxx s ASP 172 Cb -0.11 -2.64 0.93 0.00 -1.09 0.00 0.00 42.92 40.02 1oxx s ASP 172 CO 0.21 -1.45 1.73 0.00 0.70 0.00 0.00 175.17 176.36 1oxx h ALA 173 N 1.66 1.87 0.00 2.11 0.00 -1.96 -0.35 119.26 122.59 1oxx h ALA 173 Ca -0.51 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1oxx h ALA 173 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1oxx h ALA 173 CO 0.58 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.49 1oxx h ARG 174 N 0.54 0.00 -0.01 0.00 3.08 -2.02 -2.78 114.38 113.20 1oxx h ARG 174 Ca 0.65 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.70 1oxx h ARG 174 Cb 1.30 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1oxx h ARG 174 CO -0.46 0.00 -0.68 -1.33 -1.07 0.00 0.00 179.97 176.43 1oxx n MET 175 N -2.84 0.63 0.11 0.04 2.00 -0.15 -4.53 117.12 112.38 1oxx n MET 175 Ca -0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 57.70 57.15 1oxx n MET 175 Cb 0.20 -1.49 0.12 0.00 0.00 0.00 0.00 33.22 32.05 1oxx n MET 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1oxx h ARG 176 N 1.23 0.10 -0.64 0.03 3.08 -1.47 -2.73 114.38 113.98 1oxx h ARG 176 Ca 0.00 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.91 1oxx h ARG 176 Cb 0.62 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 1oxx h ARG 176 CO 0.00 0.72 0.15 -0.44 -1.07 0.00 0.00 179.97 179.34 1oxx h ASP 177 N 0.07 0.97 -0.66 7.04 3.32 -1.79 0.81 116.42 126.17 1oxx h ASP 177 Ca -0.01 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 1oxx h ASP 177 Cb 1.18 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 40.44 1oxx h ASP 177 CO 0.09 0.95 0.41 -1.28 -1.72 0.00 0.00 179.24 177.69 1oxx h SER 178 N 0.94 0.79 -0.42 6.45 0.87 -1.83 -0.96 113.55 119.39 1oxx h SER 178 Ca 0.20 -0.05 -0.13 0.00 -1.23 0.00 0.00 61.79 60.58 1oxx h SER 178 Cb 0.37 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 1oxx h SER 178 CO 0.00 0.61 -0.24 0.00 -0.53 0.00 0.00 176.83 176.67 1oxx h ALA 179 N 1.21 0.73 -0.66 6.23 0.00 -1.14 -1.25 119.26 124.39 1oxx h ALA 179 Ca 0.24 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1oxx h ALA 179 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1oxx h ALA 179 CO -0.05 0.67 0.19 0.00 0.00 0.00 0.00 179.25 180.06 1oxx h ARG 180 N 0.80 1.03 -0.74 0.00 3.08 -0.61 -2.09 114.38 115.86 1oxx h ARG 180 Ca 0.10 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.89 1oxx h ARG 180 Cb 0.80 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.67 1oxx h ARG 180 CO 0.07 0.91 0.35 0.00 -1.07 0.00 0.00 179.97 180.23 1oxx h ALA 181 N 1.08 1.22 -0.46 0.04 0.00 -0.86 -1.51 119.26 118.77 1oxx h ALA 181 Ca 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1oxx h ALA 181 Cb 0.32 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1oxx h ALA 181 CO -0.00 0.59 0.08 1.25 0.00 0.00 0.00 179.25 181.17 1oxx h LEU 182 N 1.05 0.72 -0.88 0.00 5.85 -0.94 -0.71 115.31 120.41 1oxx h LEU 182 Ca 0.26 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1oxx h LEU 182 Cb 0.11 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1oxx h LEU 182 CO -0.03 0.80 0.38 0.58 -0.34 0.00 0.00 178.44 179.83 1oxx h VAL 183 N 0.62 1.26 -0.44 1.05 2.07 -1.07 -0.26 116.25 119.48 1oxx h VAL 183 Ca 0.14 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1oxx h VAL 183 Cb 0.38 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1oxx h VAL 183 CO 0.01 0.31 0.29 0.50 0.02 0.00 0.00 177.57 178.70 1oxx h LYS 184 N 1.18 0.59 -0.32 1.57 3.64 -0.98 -0.95 116.57 121.30 1oxx h LYS 184 Ca 0.28 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.61 1oxx h LYS 184 Cb 0.14 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1oxx h LYS 184 CO -0.03 0.40 0.16 0.93 -2.27 0.00 0.00 179.45 178.64 1oxx h GLU 185 N 0.60 0.46 -0.38 1.90 5.08 -0.56 -1.36 114.58 120.31 1oxx h GLU 185 Ca 0.16 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1oxx h GLU 185 Cb -0.05 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 1oxx h GLU 185 CO -0.03 0.41 0.20 0.28 -1.00 0.00 0.00 179.01 178.86 1oxx h VAL 186 N 0.39 1.00 -0.68 3.13 2.07 -0.88 -1.09 116.25 120.19 1oxx h VAL 186 Ca 0.11 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1oxx h VAL 186 Cb 0.10 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1oxx h VAL 186 CO -0.02 0.07 0.37 -0.61 0.02 0.00 0.00 177.57 177.41 1oxx h GLN 187 N 0.41 0.95 -0.44 1.57 -0.00 -0.94 -0.92 115.11 115.74 1oxx h GLN 187 Ca 0.16 -0.11 -0.02 0.00 -0.00 0.00 0.00 58.65 58.68 1oxx h GLN 187 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 27.48 27.32 1oxx h GLN 187 CO -0.10 0.72 0.21 1.03 0.00 0.00 0.00 178.83 180.69 1oxx h SER 188 N 0.94 0.57 -0.63 -0.69 0.87 -0.94 0.38 113.55 114.05 1oxx h SER 188 Ca 0.24 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.59 1oxx h SER 188 Cb 0.04 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.83 1oxx h SER 188 CO -0.04 0.54 0.05 -0.09 -0.53 0.00 0.00 176.83 176.75 1oxx h ARG 189 N 0.57 1.08 0.00 2.24 2.43 -0.93 -3.29 114.38 116.48 1oxx h ARG 189 Ca 0.15 -0.32 -0.17 0.00 -0.81 0.00 0.00 59.98 58.83 1oxx h ARG 189 Cb 0.11 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1oxx h ARG 189 CO -0.02 1.02 -1.69 1.28 -1.51 0.00 0.00 179.97 179.05 1oxx n LEU 190 N -4.21 0.54 -0.41 3.80 4.77 -0.37 -4.98 117.00 116.13 1oxx n LEU 190 Ca 0.03 0.23 -0.05 0.00 -0.03 0.00 0.00 56.01 56.19 1oxx n LEU 190 Cb 0.32 0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1oxx n LEU 190 CO 0.44 0.17 -0.05 0.61 -1.33 0.00 0.00 177.39 177.23 1oxx n GLY 191 N 1.43 0.77 3.76 -0.72 0.00 0.13 -4.96 105.19 105.61 1oxx n GLY 191 Ca -0.13 -0.47 -0.36 0.00 0.00 0.00 0.00 46.02 45.06 1oxx n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oxx s VAL 192 N -2.08 2.87 0.50 1.61 -7.23 -1.24 -2.51 120.40 112.31 1oxx s VAL 192 Ca 0.00 0.57 -0.22 0.00 -1.81 0.00 0.00 61.98 60.52 1oxx s VAL 192 Cb 0.00 -3.25 -0.06 0.00 0.56 0.00 0.00 36.38 33.63 1oxx s VAL 192 CO 0.00 -0.09 1.26 -0.89 -0.31 0.00 0.00 175.10 175.07 1oxx s THR 193 N -1.62 2.61 -0.02 5.32 2.01 -0.62 -4.53 115.64 118.78 1oxx s THR 193 Ca 0.73 0.45 0.01 0.00 0.31 0.00 0.00 61.69 63.19 1oxx s THR 193 Cb -0.29 -3.23 0.01 0.00 0.01 0.00 0.00 72.50 69.01 1oxx s THR 193 CO 0.32 -0.01 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.99 1oxx s LEU 194 N -3.28 1.60 -0.09 4.42 0.20 -0.06 -0.92 118.68 120.55 1oxx s LEU 194 Ca 0.68 -0.07 0.01 0.00 0.69 0.00 0.00 54.13 55.43 1oxx s LEU 194 Cb -0.34 -0.28 0.02 0.00 -0.43 0.00 0.00 46.19 45.16 1oxx s LEU 194 CO 0.41 -0.02 -0.11 -0.22 -0.29 0.00 0.00 176.35 176.12 1oxx s LEU 195 N 0.47 1.49 -0.07 -0.68 2.96 -0.62 -0.74 118.68 121.49 1oxx s LEU 195 Ca -0.05 -0.33 0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1oxx s LEU 195 Cb -0.08 -0.89 0.00 0.00 0.50 0.00 0.00 46.19 45.72 1oxx s LEU 195 CO -0.01 -0.03 -0.19 0.54 -1.32 0.00 0.00 176.35 175.35 1oxx s VAL 196 N 1.14 1.60 -0.03 1.68 0.11 -0.40 -0.88 120.40 123.63 1oxx s VAL 196 Ca -0.05 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.29 1oxx s VAL 196 Cb -0.14 -1.40 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 1oxx s VAL 196 CO -0.02 0.46 -0.24 0.68 -3.33 0.00 0.00 175.10 172.65 1oxx s VAL 197 N 0.28 2.23 0.06 2.04 -7.23 -0.16 -0.85 120.40 116.77 1oxx s VAL 197 Ca -0.11 -1.04 -0.26 0.00 -1.81 0.00 0.00 61.98 58.75 1oxx s VAL 197 Cb -0.15 -1.79 0.09 0.00 0.56 0.00 0.00 36.38 35.09 1oxx s VAL 197 CO 0.05 0.58 0.75 -0.55 -0.31 0.00 0.00 175.10 175.62 1oxx s SER 198 N -0.62 -0.48 0.27 4.85 0.15 -1.04 -1.71 113.70 115.12 1oxx s SER 198 Ca 0.10 0.07 0.22 0.00 0.70 0.00 0.00 55.95 57.04 1oxx s SER 198 Cb -0.10 0.49 0.09 0.00 -1.71 0.00 0.00 66.02 64.79 1oxx s SER 198 CO -0.01 -0.77 1.20 1.12 1.20 0.00 0.00 173.24 175.98 1oxx h HIS 199 N 2.09 0.00 -3.62 3.44 2.07 -1.88 -3.38 115.15 113.88 1oxx h HIS 199 Ca -0.28 0.00 -0.67 0.00 -2.85 0.00 0.00 60.37 56.58 1oxx h HIS 199 Cb 1.26 0.00 -0.17 0.00 2.57 0.00 0.00 27.41 31.07 1oxx h HIS 199 CO 0.25 0.01 -0.21 0.34 -3.07 0.00 0.00 177.93 175.25 1oxx s ASP 200 N -5.61 6.21 0.63 3.10 -1.08 -1.26 -4.93 116.67 113.72 1oxx s ASP 200 Ca 0.02 -0.29 0.37 0.00 -0.52 0.00 0.00 52.55 52.13 1oxx s ASP 200 Cb 0.08 -2.22 2.11 0.00 -1.46 0.00 0.00 42.92 41.43 1oxx s ASP 200 CO 0.76 -0.43 2.31 1.55 0.52 0.00 0.00 175.17 179.88 1oxx h PRO 201 N 8.53 0.00 -0.18 4.34 0.13 -1.88 -1.95 132.00 140.99 1oxx h PRO 201 Ca -0.29 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1oxx h PRO 201 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 1oxx h PRO 201 CO 0.74 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.48 1oxx h ALA 202 N 2.00 1.63 -0.51 -0.56 0.00 -1.92 0.16 119.26 120.06 1oxx h ALA 202 Ca -0.00 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1oxx h ALA 202 Cb 0.02 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1oxx h ALA 202 CO 0.00 0.28 -0.11 -0.44 0.00 0.00 0.00 179.25 178.98 1oxx h ASP 203 N 0.25 0.97 -0.01 0.00 3.45 -1.78 -2.06 116.42 117.25 1oxx h ASP 203 Ca 0.06 -0.36 -0.00 0.00 0.43 0.00 0.00 57.03 57.16 1oxx h ASP 203 Cb 0.22 -0.27 -0.00 0.00 -0.56 0.00 0.00 39.33 38.73 1oxx h ASP 203 CO 0.01 1.10 0.00 0.40 -1.57 0.00 0.00 179.24 179.18 1oxx h ILE 204 N 0.83 1.20 -0.29 0.35 1.08 -1.33 -2.31 117.51 117.04 1oxx h ILE 204 Ca 0.13 -0.60 -0.03 0.00 -0.39 0.00 0.00 64.86 63.97 1oxx h ILE 204 Cb 0.67 1.60 -0.02 0.00 -3.07 0.00 0.00 36.82 36.01 1oxx h ILE 204 CO 0.05 0.16 0.06 -0.26 -0.69 0.00 0.00 178.15 177.46 1oxx h PHE 205 N -0.24 0.42 -0.06 1.37 -1.00 -0.99 0.09 116.94 116.53 1oxx h PHE 205 Ca 0.00 -0.02 -0.21 0.00 2.81 0.00 0.00 57.97 60.55 1oxx h PHE 205 Cb 0.26 -0.13 0.00 0.00 3.61 0.00 0.00 35.95 39.69 1oxx h PHE 205 CO 0.01 0.38 -0.83 0.00 -1.61 0.00 0.00 178.31 176.27 1oxx h ALA 206 N 1.66 0.44 0.00 2.45 0.00 -1.28 -3.41 119.26 119.11 1oxx h ALA 206 Ca 0.10 -0.64 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 1oxx h ALA 206 Cb 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1oxx h ALA 206 CO -0.00 0.76 -1.15 -0.89 0.00 0.00 0.00 179.25 177.97 1oxx n ILE 207 N -3.83 0.15 -3.50 0.00 5.41 -0.88 -4.98 119.36 111.74 1oxx n ILE 207 Ca -0.06 -0.09 -0.38 0.00 1.00 0.00 0.00 62.75 63.22 1oxx n ILE 207 Cb 0.77 -0.89 -0.06 0.00 -0.71 0.00 0.00 39.64 38.75 1oxx n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oxx s ALA 208 N -2.05 3.68 -0.11 -1.39 0.00 0.00 -4.83 121.76 117.06 1oxx s ALA 208 Ca -0.01 -0.23 0.22 0.00 0.00 0.00 0.00 51.96 51.93 1oxx s ALA 208 Cb 0.01 -2.40 -0.22 0.00 0.00 0.00 0.00 23.12 20.51 1oxx s ALA 208 CO 0.09 0.44 0.65 -0.25 0.00 0.00 0.00 175.76 176.68 1oxx n ASP 209 N 2.02 0.32 -3.85 0.00 8.00 0.37 -4.75 116.55 118.65 1oxx n ASP 209 Ca -0.14 0.13 -0.12 0.00 0.71 0.00 0.00 54.79 55.37 1oxx n ASP 209 Cb 0.52 1.33 -0.14 0.00 -0.02 0.00 0.00 41.12 42.82 1oxx n ASP 209 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1oxx s ARG 210 N -3.36 0.05 0.00 -1.24 3.52 -1.11 -4.37 118.95 112.45 1oxx s ARG 210 Ca -0.06 0.07 0.02 0.00 -0.13 0.00 0.00 55.73 55.63 1oxx s ARG 210 Cb 0.12 0.02 -0.01 0.00 -1.56 0.00 0.00 34.95 33.52 1oxx s ARG 210 CO 0.86 -0.01 -0.06 0.08 -0.81 0.00 0.00 175.30 175.36 1oxx s VAL 211 N 0.05 0.47 -0.01 7.11 1.01 0.55 -0.96 120.40 128.62 1oxx s VAL 211 Ca -0.00 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.66 1oxx s VAL 211 Cb -0.01 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1oxx s VAL 211 CO -0.00 0.08 -0.04 -0.83 0.00 0.00 0.00 175.10 174.30 1oxx s GLY 212 N -0.29 1.79 -0.18 4.51 0.00 -0.00 -1.26 107.32 111.90 1oxx s GLY 212 Ca 0.01 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.73 1oxx s GLY 212 CO -0.00 -0.83 -0.07 0.14 0.00 0.00 0.00 173.10 172.35 1oxx s VAL 213 N -1.00 3.42 -0.25 1.40 1.01 -0.41 -1.28 120.40 123.29 1oxx s VAL 213 Ca 0.17 -0.51 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 1oxx s VAL 213 Cb -0.11 -2.51 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1oxx s VAL 213 CO 0.08 0.47 0.12 -0.76 0.00 0.00 0.00 175.10 175.01 1oxx s LEU 214 N 0.83 3.80 -0.08 3.92 1.43 0.71 -1.04 118.68 128.24 1oxx s LEU 214 Ca -0.02 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1oxx s LEU 214 Cb -0.15 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.07 1oxx s LEU 214 CO 0.01 0.01 -0.08 -0.69 0.23 0.00 0.00 176.35 175.83 1oxx s VAL 215 N 1.38 0.91 -1.40 -1.59 1.01 0.46 -3.73 120.40 117.43 1oxx s VAL 215 Ca 0.06 -0.28 -0.09 0.00 0.00 0.00 0.00 61.98 61.67 1oxx s VAL 215 Cb -0.15 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.39 1oxx s VAL 215 CO 0.06 0.33 0.62 0.29 0.00 0.00 0.00 175.10 176.39 1oxx n LYS 216 N 4.45 -4.18 -0.78 2.72 4.01 -1.26 -1.08 118.16 122.03 1oxx n LYS 216 Ca -0.17 0.60 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1oxx n LYS 216 Cb 0.51 -5.39 0.00 0.00 -0.51 0.00 0.00 35.03 29.64 1oxx n LYS 216 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1oxx n GLY 217 N -1.36 0.88 3.46 0.72 0.00 -1.26 -4.82 105.19 102.81 1oxx n GLY 217 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1oxx n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxx s LYS 218 N -0.22 2.71 -0.48 1.61 1.02 -0.24 -0.54 119.74 123.60 1oxx s LYS 218 Ca 0.00 -0.68 -0.29 0.00 0.02 0.00 0.00 55.97 55.02 1oxx s LYS 218 Cb 0.00 -2.44 0.03 0.00 -0.52 0.00 0.00 37.83 34.89 1oxx s LYS 218 CO 0.00 0.54 1.13 -1.17 -0.92 0.00 0.00 175.35 174.93 1oxx s LEU 219 N -0.50 3.65 -0.02 3.17 2.96 -1.26 -0.41 118.68 126.26 1oxx s LEU 219 Ca 0.07 0.46 0.21 0.00 -0.22 0.00 0.00 54.13 54.65 1oxx s LEU 219 Cb -0.12 -3.54 -0.32 0.00 0.50 0.00 0.00 46.19 42.72 1oxx s LEU 219 CO 0.02 -1.25 0.53 1.33 -1.32 0.00 0.00 176.35 175.66 1oxx n VAL 220 N 6.83 0.00 -3.58 1.68 0.24 -0.21 -4.98 118.33 118.31 1oxx n VAL 220 Ca 0.12 -0.42 -0.15 0.00 -2.04 0.00 0.00 64.34 61.86 1oxx n VAL 220 Cb 0.49 0.16 -0.06 0.00 -1.47 0.00 0.00 33.84 32.96 1oxx n VAL 220 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1oxx s GLN 221 N -3.41 0.86 -0.02 7.34 0.74 -1.25 -4.97 119.66 118.95 1oxx s GLN 221 Ca -0.05 0.58 0.01 0.00 0.05 0.00 0.00 55.36 55.94 1oxx s GLN 221 Cb 0.14 0.41 0.01 0.00 1.10 0.00 0.00 33.01 34.67 1oxx s GLN 221 CO 0.88 -0.19 -0.02 0.08 -0.55 0.00 0.00 175.29 175.49 1oxx s VAL 222 N -0.40 0.28 -1.52 1.34 1.01 -1.26 -1.29 120.40 118.56 1oxx s VAL 222 Ca -0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1oxx s VAL 222 Cb -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.05 1oxx s VAL 222 CO 0.04 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1oxx n GLY 223 N 3.60 -1.49 3.77 4.51 0.00 -0.39 -4.98 105.19 110.22 1oxx n GLY 223 Ca -0.20 -1.03 -0.39 0.00 0.00 0.00 0.00 46.02 44.40 1oxx n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxx s LYS 224 N -1.38 3.80 0.29 1.61 1.02 -1.26 -0.33 119.74 123.48 1oxx s LYS 224 Ca 0.00 2.07 0.03 0.00 0.02 0.00 0.00 55.97 58.10 1oxx s LYS 224 Cb 0.00 -2.60 0.70 0.00 -0.52 0.00 0.00 37.83 35.41 1oxx s LYS 224 CO 0.00 -0.61 1.72 -1.35 -0.92 0.00 0.00 175.35 174.19 1oxx h PRO 225 N 2.35 0.48 -0.04 -1.68 0.11 -1.86 -0.77 132.00 130.60 1oxx h PRO 225 Ca -0.50 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1oxx h PRO 225 Cb 1.25 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1oxx h PRO 225 CO 0.61 0.32 -0.27 0.93 -0.21 0.00 0.00 178.00 179.38 1oxx h GLU 226 N 0.50 0.07 -0.20 1.05 3.07 -1.95 -0.77 114.58 116.36 1oxx h GLU 226 Ca 0.55 -0.02 -0.21 0.00 -0.50 0.00 0.00 59.36 59.17 1oxx h GLU 226 Cb 0.97 -0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.88 1oxx h GLU 226 CO -0.47 0.35 -0.71 -0.44 -1.40 0.00 0.00 179.01 176.34 1oxx h ASP 227 N 0.07 0.95 -0.41 1.42 3.32 -1.52 -1.12 116.42 119.13 1oxx h ASP 227 Ca 0.01 -0.59 -0.06 0.00 0.02 0.00 0.00 57.03 56.41 1oxx h ASP 227 Cb 0.53 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.77 1oxx h ASP 227 CO 0.04 1.39 0.04 -0.07 -1.72 0.00 0.00 179.24 178.91 1oxx h LEU 228 N 0.58 0.74 -0.26 1.55 4.07 -1.10 0.32 115.31 121.21 1oxx h LEU 228 Ca -0.03 -0.16 -0.03 0.00 0.08 0.00 0.00 57.88 57.74 1oxx h LEU 228 Cb 1.33 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.87 1oxx h LEU 228 CO 0.15 0.78 0.06 0.22 -1.08 0.00 0.00 178.44 178.57 1oxx h TYR 229 N 0.74 0.44 0.00 1.13 3.20 -0.90 -2.78 116.97 118.80 1oxx h TYR 229 Ca 0.15 -0.06 -0.21 0.00 3.14 0.00 0.00 58.73 61.76 1oxx h TYR 229 Cb 0.40 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.51 1oxx h TYR 229 CO 0.02 0.51 -1.61 -0.25 -1.64 0.00 0.00 178.16 175.19 1oxx n ASP 230 N -4.70 0.73 -2.94 -2.11 8.00 -0.44 -4.51 116.55 110.57 1oxx n ASP 230 Ca -0.03 0.33 -0.23 0.00 0.71 0.00 0.00 54.79 55.57 1oxx n ASP 230 Cb 0.19 0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 1oxx n ASP 230 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1oxx n ASN 231 N -2.87 3.12 -4.77 -2.24 3.02 0.11 -5.02 115.26 106.61 1oxx n ASN 231 Ca -0.13 -3.40 -0.38 0.00 -0.03 0.00 0.00 54.58 50.64 1oxx n ASN 231 Cb 0.90 -0.56 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1oxx n ASN 231 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1oxx s PRO 232 N -3.13 3.89 0.34 3.52 0.04 -1.05 -4.64 135.00 133.98 1oxx s PRO 232 Ca 0.44 1.83 0.26 0.00 0.04 0.00 0.00 61.00 63.57 1oxx s PRO 232 Cb 0.33 -2.54 0.77 0.00 0.04 0.00 0.00 34.50 33.09 1oxx s PRO 232 CO -0.11 -0.46 1.74 -0.24 0.04 0.00 0.00 177.00 177.98 1oxx h VAL 233 N 2.10 0.00 -3.45 -0.36 3.04 -1.93 -3.46 116.25 112.19 1oxx h VAL 233 Ca -0.49 -0.61 -0.04 0.00 -1.01 0.00 0.00 66.70 64.54 1oxx h VAL 233 Cb 1.24 1.57 -0.11 0.00 -2.01 0.00 0.00 31.29 31.98 1oxx h VAL 233 CO 0.61 0.00 -0.07 -0.94 -1.01 0.00 0.00 177.57 176.17 1oxx s SER 234 N -5.20 -0.19 0.38 3.17 1.04 -1.26 -5.03 113.70 106.61 1oxx s SER 234 Ca 0.07 -0.54 0.13 0.00 0.48 0.00 0.00 55.95 56.08 1oxx s SER 234 Cb 0.09 0.53 0.74 0.00 0.10 0.00 0.00 66.02 67.48 1oxx s SER 234 CO 0.58 -0.99 1.84 -0.29 0.98 0.00 0.00 173.24 175.37 1oxx h ILE 235 N 2.30 1.25 -0.30 -1.02 6.09 -1.99 -1.19 117.51 122.65 1oxx h ILE 235 Ca -0.30 -1.20 -0.03 0.00 -1.37 0.00 0.00 64.86 61.95 1oxx h ILE 235 Cb 1.25 1.64 -0.01 0.00 0.47 0.00 0.00 36.82 40.17 1oxx h ILE 235 CO 0.41 0.34 0.07 -0.61 -3.07 0.00 0.00 178.15 175.30 1oxx h GLN 236 N 0.01 0.49 -0.72 2.19 4.15 -1.99 -1.38 115.11 117.86 1oxx h GLN 236 Ca -0.00 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.26 1oxx h GLN 236 Cb 0.62 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 1oxx h GLN 236 CO 0.05 0.57 0.32 0.28 -1.93 0.00 0.00 178.83 178.11 1oxx h VAL 237 N 0.33 1.24 -0.81 2.39 2.07 -1.90 -1.85 116.25 117.72 1oxx h VAL 237 Ca 0.09 -0.71 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1oxx h VAL 237 Cb 0.30 0.38 -0.08 0.00 -1.52 0.00 0.00 31.29 30.37 1oxx h VAL 237 CO 0.00 0.29 0.42 0.00 0.02 0.00 0.00 177.57 178.30 1oxx h ALA 238 N 1.15 1.17 0.00 1.67 0.00 -0.86 -1.90 119.26 120.50 1oxx h ALA 238 Ca 0.24 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1oxx h ALA 238 Cb 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1oxx h ALA 238 CO -0.03 -0.05 -0.67 0.66 0.00 0.00 0.00 179.25 179.16 1oxx h SER 239 N 0.64 0.00 0.07 0.00 4.64 -1.03 -3.13 113.55 114.74 1oxx h SER 239 Ca 0.42 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.63 1oxx h SER 239 Cb 0.53 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.60 1oxx h SER 239 CO -0.32 0.67 -0.36 -0.07 -0.87 0.00 0.00 176.83 175.89 1oxx h LEU 240 N 0.00 0.41 0.00 5.97 3.38 -0.56 -3.14 115.31 121.36 1oxx h LEU 240 Ca -0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1oxx h LEU 240 Cb 1.44 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1oxx h LEU 240 CO 0.09 0.74 -0.42 0.00 0.09 0.00 0.00 178.44 178.93 1oxx n ILE 241 N -4.06 0.10 0.00 1.22 0.13 -0.91 -4.56 119.36 111.28 1oxx n ILE 241 Ca -0.01 -0.07 0.00 0.00 -1.10 0.00 0.00 62.75 61.57 1oxx n ILE 241 Cb 0.46 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 39.27 1oxx n ILE 241 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1oxx n GLY 242 N 1.46 0.94 3.78 4.50 0.00 -1.19 -4.84 105.19 109.84 1oxx n GLY 242 Ca 0.05 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 1oxx n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxx s GLU 243 N -2.00 4.13 -0.13 1.61 2.02 -1.26 -4.12 118.70 118.95 1oxx s GLU 243 Ca 0.00 2.54 -0.23 0.00 0.02 0.00 0.00 54.97 57.30 1oxx s GLU 243 Cb 0.00 -2.98 0.06 0.00 0.10 0.00 0.00 34.13 31.30 1oxx s GLU 243 CO 0.00 -0.51 0.58 -1.50 0.02 0.00 0.00 175.26 173.85 1oxx s ILE 244 N -1.01 0.01 -0.04 -1.63 2.07 -1.26 -4.44 121.20 114.90 1oxx s ILE 244 Ca 0.53 -0.08 -0.25 0.00 -1.41 0.00 0.00 60.65 59.45 1oxx s ILE 244 Cb -0.46 -0.85 -0.04 0.00 0.13 0.00 0.00 42.46 41.24 1oxx s ILE 244 CO 0.61 -0.04 0.75 0.20 -1.91 0.00 0.00 174.94 174.54 1oxx s ASN 245 N -0.46 7.07 -0.20 4.50 0.01 -0.33 -4.94 114.94 120.59 1oxx s ASN 245 Ca -0.06 1.29 -0.02 0.00 -0.71 0.00 0.00 52.86 53.36 1oxx s ASN 245 Cb -0.03 -2.44 -0.00 0.00 0.41 0.00 0.00 41.25 39.19 1oxx s ASN 245 CO 0.04 -0.12 -0.10 -1.61 -1.51 0.00 0.00 177.10 173.81 1oxx s GLU 246 N 0.71 3.27 0.06 -0.60 2.02 -1.26 -1.60 118.70 121.30 1oxx s GLU 246 Ca 0.40 -0.69 0.05 0.00 0.02 0.00 0.00 54.97 54.74 1oxx s GLU 246 Cb -0.19 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 1oxx s GLU 246 CO 0.20 -0.14 -0.14 -0.51 0.02 0.00 0.00 175.26 174.69 1oxx s LEU 247 N 1.27 2.25 -0.06 1.80 1.02 -0.12 -4.77 118.68 120.07 1oxx s LEU 247 Ca 0.03 -0.58 0.04 0.00 0.02 0.00 0.00 54.13 53.64 1oxx s LEU 247 Cb -0.14 -0.53 -0.02 0.00 0.02 0.00 0.00 46.19 45.52 1oxx s LEU 247 CO -0.05 -0.05 -0.17 -0.70 0.02 0.00 0.00 176.35 175.40 1oxx s GLU 248 N -1.61 2.63 0.27 1.70 2.12 -1.26 0.40 118.70 122.95 1oxx s GLU 248 Ca -0.01 -0.75 -0.01 0.00 0.36 0.00 0.00 54.97 54.56 1oxx s GLU 248 Cb -0.10 -2.36 0.00 0.00 0.26 0.00 0.00 34.13 31.94 1oxx s GLU 248 CO 0.02 0.51 0.37 0.41 -0.54 0.00 0.00 175.26 176.03 1oxx n GLY 249 N 2.63 2.39 3.77 -1.50 0.00 -0.33 -4.82 105.19 107.34 1oxx n GLY 249 Ca -0.17 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1oxx n GLY 249 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1oxx s LYS 250 N -2.64 4.02 -0.06 1.61 2.20 -0.69 -1.19 119.74 122.99 1oxx s LYS 250 Ca 0.23 -0.06 -0.30 0.00 -0.36 0.00 0.00 55.97 55.48 1oxx s LYS 250 Cb -0.01 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1oxx s LYS 250 CO 0.16 0.42 1.14 0.08 -0.36 0.00 0.00 175.35 176.79 1oxx s VAL 251 N -0.03 4.41 0.27 4.02 1.01 -0.82 -0.80 120.40 128.45 1oxx s VAL 251 Ca 0.13 1.72 0.02 0.00 0.00 0.00 0.00 61.98 63.85 1oxx s VAL 251 Cb -0.12 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 1oxx s VAL 251 CO 0.02 0.02 0.08 0.42 0.00 0.00 0.00 175.10 175.65 1oxx s THR 252 N 2.00 0.69 0.62 3.92 -4.23 -0.51 -4.95 115.64 113.17 1oxx s THR 252 Ca 0.54 -2.00 0.37 0.00 -1.18 0.00 0.00 61.69 59.42 1oxx s THR 252 Cb -0.23 -2.64 0.40 0.00 1.34 0.00 0.00 72.50 71.36 1oxx s THR 252 CO 0.22 -0.02 2.31 0.78 -0.54 0.00 0.00 174.62 177.36 1oxx h ASN 253 N 2.35 0.00 -0.02 3.99 -0.26 -1.98 -1.61 115.58 118.05 1oxx h ASN 253 Ca -0.39 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.35 1oxx h ASN 253 Cb 1.24 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.50 1oxx h ASN 253 CO 0.63 0.00 -0.27 -0.62 -1.06 0.00 0.00 177.43 176.11 1oxx n GLU 254 N -3.46 1.68 0.00 0.81 -0.58 -1.26 -5.07 120.64 112.77 1oxx n GLU 254 Ca -0.03 -1.38 0.00 0.00 -0.42 0.00 0.00 57.16 55.33 1oxx n GLU 254 Cb 0.08 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.50 1oxx n GLU 254 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oxx n GLY 255 N 1.37 0.91 3.62 0.62 0.00 -0.61 -4.70 105.19 106.41 1oxx n GLY 255 Ca 0.11 -2.17 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 1oxx n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oxx s VAL 256 N -0.99 4.64 -0.18 1.61 1.01 0.28 -1.42 120.40 125.36 1oxx s VAL 256 Ca 0.00 1.46 -0.13 0.00 0.00 0.00 0.00 61.98 63.31 1oxx s VAL 256 Cb 0.00 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1oxx s VAL 256 CO 0.00 -0.38 0.27 -0.69 0.00 0.00 0.00 175.10 174.30 1oxx s VAL 257 N 3.33 5.31 -0.36 2.92 1.01 0.02 -1.17 120.40 131.45 1oxx s VAL 257 Ca 0.39 0.48 -0.00 0.00 0.00 0.00 0.00 61.98 62.85 1oxx s VAL 257 Cb -0.13 -3.61 0.12 0.00 0.00 0.00 0.00 36.38 32.77 1oxx s VAL 257 CO 0.14 0.38 0.18 -0.63 0.00 0.00 0.00 175.10 175.17 1oxx s ILE 258 N 0.61 0.67 0.00 2.22 1.01 0.12 -1.71 121.20 124.12 1oxx s ILE 258 Ca 0.15 -1.77 0.00 0.00 0.00 0.00 0.00 60.65 59.02 1oxx s ILE 258 Cb -0.13 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.85 1oxx s ILE 258 CO 0.03 -0.86 0.00 0.61 0.00 0.00 0.00 174.94 174.73 1oxx n GLY 259 N 4.23 3.66 0.20 6.18 0.00 -1.26 -0.88 105.19 117.32 1oxx n GLY 259 Ca 0.05 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1oxx n GLY 259 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oxx n SER 260 N 5.58 0.58 -4.74 1.61 3.41 -0.83 -4.80 113.62 114.43 1oxx n SER 260 Ca 0.00 -1.72 -0.31 0.00 -0.26 0.00 0.00 58.87 56.58 1oxx n SER 260 Cb 0.00 -0.05 -0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1oxx n SER 260 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oxx s LEU 261 N -1.33 3.71 -0.10 1.04 1.43 -0.05 -2.92 118.68 120.44 1oxx s LEU 261 Ca 0.20 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 53.25 1oxx s LEU 261 Cb 0.10 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 44.04 1oxx s LEU 261 CO 0.15 0.20 0.13 -0.60 0.23 0.00 0.00 176.35 176.47 1oxx s ARG 262 N -2.15 0.03 -0.20 1.70 3.52 0.40 -0.71 118.95 121.54 1oxx s ARG 262 Ca 0.26 0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 56.11 1oxx s ARG 262 Cb -0.12 -0.72 -0.05 0.00 -1.56 0.00 0.00 34.95 32.51 1oxx s ARG 262 CO 0.18 -0.42 0.19 -0.06 -0.81 0.00 0.00 175.30 174.39 1oxx s PHE 263 N 2.24 3.40 -1.56 5.12 0.40 -0.32 -4.63 117.98 122.63 1oxx s PHE 263 Ca 0.04 0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 56.66 1oxx s PHE 263 Cb -0.13 -2.25 -0.07 0.00 0.51 0.00 0.00 43.02 41.08 1oxx s PHE 263 CO -0.06 0.22 2.82 -0.35 0.70 0.00 0.00 175.22 178.54 1oxx n PRO 264 N 3.73 3.50 -4.10 0.24 -0.04 -1.26 -0.55 135.00 136.51 1oxx n PRO 264 Ca -0.14 -2.21 -0.10 0.00 -0.04 0.00 0.00 63.50 61.00 1oxx n PRO 264 Cb 0.52 -2.85 -0.09 0.00 -0.04 0.00 0.00 33.50 31.04 1oxx n PRO 264 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1oxx s VAL 265 N 2.39 0.06 0.13 0.52 -7.23 -1.26 -5.02 120.40 110.00 1oxx s VAL 265 Ca 0.65 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 1oxx s VAL 265 Cb 0.17 -2.11 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1oxx s VAL 265 CO -0.06 -0.28 0.31 -0.55 -0.31 0.00 0.00 175.10 174.21 1oxx s SER 266 N -3.05 -0.04 0.21 4.85 0.15 -1.26 -3.46 113.70 111.10 1oxx s SER 266 Ca 0.26 -0.59 -0.04 0.00 0.70 0.00 0.00 55.95 56.27 1oxx s SER 266 Cb 0.06 0.43 -0.03 0.00 -1.71 0.00 0.00 66.02 64.76 1oxx s SER 266 CO 0.04 -0.84 0.22 0.68 1.20 0.00 0.00 173.24 174.54 1oxx s VAL 267 N -3.87 0.00 -0.47 4.45 -7.23 -1.26 -5.01 120.40 107.01 1oxx s VAL 267 Ca 0.08 -1.84 0.26 0.00 -1.81 0.00 0.00 61.98 58.67 1oxx s VAL 267 Cb 0.03 -2.41 0.30 0.00 0.56 0.00 0.00 36.38 34.87 1oxx s VAL 267 CO -0.08 -0.02 1.76 0.28 -0.31 0.00 0.00 175.10 176.74 1oxx h SER 268 N 2.54 0.00 -3.70 4.85 0.02 -1.98 -3.46 113.55 111.81 1oxx h SER 268 Ca -0.33 0.00 -0.46 0.00 -0.84 0.00 0.00 61.79 60.16 1oxx h SER 268 Cb 1.25 0.00 0.10 0.00 0.14 0.00 0.00 62.40 63.89 1oxx h SER 268 CO 0.49 0.00 0.27 -0.94 -1.14 0.00 0.00 176.83 175.51 1oxx s SER 269 N -4.97 4.39 0.17 3.07 1.04 -1.26 -5.00 113.70 111.13 1oxx s SER 269 Ca 0.07 0.35 -0.08 0.00 0.48 0.00 0.00 55.95 56.77 1oxx s SER 269 Cb 0.09 -0.83 0.05 0.00 0.10 0.00 0.00 66.02 65.43 1oxx s SER 269 CO 0.55 -1.89 1.52 0.44 0.98 0.00 0.00 173.24 174.84 1oxx h ASP 270 N -0.85 0.88 -3.35 7.02 3.45 -1.89 -3.44 116.42 118.25 1oxx h ASP 270 Ca -0.44 -0.39 -0.44 0.00 0.43 0.00 0.00 57.03 56.19 1oxx h ASP 270 Cb 1.30 -0.25 -0.14 0.00 -0.56 0.00 0.00 39.33 39.68 1oxx h ASP 270 CO 0.54 1.15 -0.67 -0.13 -1.57 0.00 0.00 179.24 178.57 1oxx s ARG 271 N -4.38 1.45 0.03 3.56 0.52 -1.26 -1.94 118.95 116.94 1oxx s ARG 271 Ca -0.10 -1.73 -0.01 0.00 -0.52 0.00 0.00 55.73 53.36 1oxx s ARG 271 Cb 0.12 -0.91 -0.02 0.00 0.52 0.00 0.00 34.95 34.65 1oxx s ARG 271 CO 0.86 -0.02 -0.01 0.00 0.02 0.00 0.00 175.30 176.16 1oxx s ALA 272 N -3.19 0.22 -0.21 2.13 0.00 -0.33 -2.40 121.76 117.97 1oxx s ALA 272 Ca 0.29 -0.79 -0.09 0.00 0.00 0.00 0.00 51.96 51.37 1oxx s ALA 272 Cb 0.05 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 1oxx s ALA 272 CO 0.10 -0.26 0.10 0.42 0.00 0.00 0.00 175.76 176.12 1oxx s ILE 273 N -2.49 4.96 -0.14 0.00 1.01 0.19 -1.18 121.20 123.55 1oxx s ILE 273 Ca -0.06 0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.56 1oxx s ILE 273 Cb -0.02 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.13 1oxx s ILE 273 CO -0.05 0.41 0.08 -0.63 0.00 0.00 0.00 174.94 174.75 1oxx s ILE 274 N 0.71 4.94 -0.17 2.92 -1.09 0.16 -1.01 121.20 127.67 1oxx s ILE 274 Ca 0.05 0.01 -0.00 0.00 -2.23 0.00 0.00 60.65 58.48 1oxx s ILE 274 Cb -0.13 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.58 1oxx s ILE 274 CO 0.02 0.54 -0.15 -0.83 -1.23 0.00 0.00 174.94 173.28 1oxx s GLY 275 N -0.31 1.47 -0.06 6.18 0.00 0.37 -0.94 107.32 114.03 1oxx s GLY 275 Ca 0.09 -1.09 -0.02 0.00 0.00 0.00 0.00 44.72 43.70 1oxx s GLY 275 CO 0.01 0.11 0.06 -1.50 0.00 0.00 0.00 173.10 171.79 1oxx s ILE 276 N 0.97 -0.07 0.54 0.90 1.10 -0.63 -0.92 121.20 123.09 1oxx s ILE 276 Ca -0.02 0.32 -0.19 0.00 -0.51 0.00 0.00 60.65 60.24 1oxx s ILE 276 Cb -0.15 -0.24 -0.06 0.00 0.15 0.00 0.00 42.46 42.16 1oxx s ILE 276 CO -0.03 0.12 1.09 -0.13 -2.11 0.00 0.00 174.94 173.88 1oxx s ARG 277 N 2.15 3.44 0.42 3.50 0.52 -1.26 -1.19 118.95 126.53 1oxx s ARG 277 Ca 0.05 1.46 0.11 0.00 -0.52 0.00 0.00 55.73 56.83 1oxx s ARG 277 Cb -0.13 -2.03 0.95 0.00 0.52 0.00 0.00 34.95 34.26 1oxx s ARG 277 CO -0.04 -0.75 1.98 -1.00 0.02 0.00 0.00 175.30 175.52 1oxx h PRO 278 N 1.11 0.48 0.00 3.54 0.13 -1.78 0.54 132.00 136.03 1oxx h PRO 278 Ca -0.49 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 1oxx h PRO 278 Cb 1.24 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1oxx h PRO 278 CO 0.57 0.32 0.00 -0.85 -0.23 0.00 0.00 178.00 177.81 1oxx n GLU 279 N -4.48 0.12 -0.69 0.86 0.00 -1.26 -2.58 120.64 112.61 1oxx n GLU 279 Ca 0.09 0.37 0.08 0.00 0.00 0.00 0.00 57.16 57.70 1oxx n GLU 279 Cb 0.31 -1.74 0.35 0.00 0.00 0.00 0.00 31.44 30.36 1oxx n GLU 279 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1oxx n ASP 280 N -1.97 4.96 -4.22 -1.84 8.00 0.18 -4.90 116.55 116.76 1oxx n ASP 280 Ca 0.02 -2.81 -0.27 0.00 0.71 0.00 0.00 54.79 52.45 1oxx n ASP 280 Cb 0.20 -0.61 -0.15 0.00 -0.02 0.00 0.00 41.12 40.54 1oxx n ASP 280 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1oxx s VAL 281 N -2.50 1.62 -0.00 2.53 1.01 -1.06 -1.71 120.40 120.28 1oxx s VAL 281 Ca 0.50 -0.93 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1oxx s VAL 281 Cb 0.37 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 35.40 1oxx s VAL 281 CO 0.16 0.41 0.01 -0.75 0.00 0.00 0.00 175.10 174.93 1oxx s LYS 282 N -0.60 -0.00 0.08 2.72 2.20 -0.23 -4.87 119.74 119.05 1oxx s LYS 282 Ca 0.08 0.03 0.07 0.00 -0.36 0.00 0.00 55.97 55.78 1oxx s LYS 282 Cb -0.08 -0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.17 1oxx s LYS 282 CO -0.00 -0.02 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.34 1oxx s LEU 283 N 0.13 2.97 0.19 5.43 1.43 -1.26 -0.83 118.68 126.75 1oxx s LEU 283 Ca -0.01 -0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1oxx s LEU 283 Cb -0.02 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.45 1oxx s LEU 283 CO -0.00 0.20 0.44 -0.55 0.23 0.00 0.00 176.35 176.67 1oxx s SER 284 N -2.00 -0.14 0.11 2.29 0.15 -0.84 -4.98 113.70 108.29 1oxx s SER 284 Ca 0.20 -0.67 0.22 0.00 0.70 0.00 0.00 55.95 56.40 1oxx s SER 284 Cb -0.11 0.53 -0.14 0.00 -1.71 0.00 0.00 66.02 64.59 1oxx s SER 284 CO 0.11 -1.01 0.81 0.29 1.20 0.00 0.00 173.24 174.64 1oxx n LYS 285 N -0.30 0.63 -4.21 5.44 4.76 -1.26 0.15 118.16 123.37 1oxx n LYS 285 Ca -0.08 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.23 1oxx n LYS 285 Cb 0.62 -1.71 -0.09 0.00 -1.84 0.00 0.00 35.03 32.01 1oxx n LYS 285 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1oxx s ASP 286 N -5.05 0.45 0.53 4.39 -1.08 -1.26 -4.71 116.67 109.93 1oxx s ASP 286 Ca -0.04 -1.45 -0.22 0.00 -0.52 0.00 0.00 52.55 50.33 1oxx s ASP 286 Cb 0.11 0.43 -0.05 0.00 -1.46 0.00 0.00 42.92 41.94 1oxx s ASP 286 CO 0.84 -0.90 1.31 0.68 0.52 0.00 0.00 175.17 177.62 1oxx s VAL 287 N -4.00 2.30 0.40 1.11 -7.23 -1.26 -4.92 120.40 106.80 1oxx s VAL 287 Ca 0.39 0.22 0.07 0.00 -1.81 0.00 0.00 61.98 60.85 1oxx s VAL 287 Cb 0.06 -3.11 0.01 0.00 0.56 0.00 0.00 36.38 33.89 1oxx s VAL 287 CO 0.15 -0.00 0.55 0.27 -0.31 0.00 0.00 175.10 175.76 1oxx s ILE 288 N -1.36 3.32 -0.87 -0.62 -4.36 -1.26 -5.05 121.20 111.00 1oxx s ILE 288 Ca 0.70 -0.97 -0.00 0.00 -0.26 0.00 0.00 60.65 60.11 1oxx s ILE 288 Cb -0.38 -3.13 0.22 0.00 1.25 0.00 0.00 42.46 40.42 1oxx s ILE 288 CO 0.45 -0.05 0.77 1.17 0.24 0.00 0.00 174.94 177.52 1oxx n LYS 289 N -1.82 2.60 -3.19 0.37 4.81 -1.26 -4.96 118.16 114.72 1oxx n LYS 289 Ca 0.06 -4.50 0.01 0.00 -0.87 0.00 0.00 58.31 53.01 1oxx n LYS 289 Cb 0.59 -2.39 -0.02 0.00 0.02 0.00 0.00 35.03 33.23 1oxx n LYS 289 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1oxx s ASP 290 N -0.57 -1.13 0.00 3.14 -1.08 -1.26 -5.03 116.67 110.74 1oxx s ASP 290 Ca 0.28 0.30 0.18 0.00 -0.52 0.00 0.00 52.55 52.80 1oxx s ASP 290 Cb -0.05 1.87 1.05 0.00 -1.46 0.00 0.00 42.92 44.33 1oxx s ASP 290 CO -0.12 -0.30 1.52 -0.90 0.52 0.00 0.00 175.17 175.90 1oxx n ASP 291 N 5.41 0.00 -0.10 -0.34 3.85 -1.26 -2.47 116.55 121.64 1oxx n ASP 291 Ca 0.02 -0.38 0.15 0.00 -0.71 0.00 0.00 54.79 53.87 1oxx n ASP 291 Cb 0.52 -0.09 0.71 0.00 -1.35 0.00 0.00 41.12 40.91 1oxx n ASP 291 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1oxx n SER 292 N -1.09 0.38 -4.36 -1.12 3.41 -1.26 -4.78 113.62 104.79 1oxx n SER 292 Ca 0.12 -0.70 -0.29 0.00 -0.26 0.00 0.00 58.87 57.74 1oxx n SER 292 Cb 0.09 -0.08 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 1oxx n SER 292 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1oxx s TRP 293 N -2.32 2.29 0.01 7.33 0.52 -1.03 -4.68 118.94 121.05 1oxx s TRP 293 Ca 0.35 -0.40 0.08 0.00 0.02 0.00 0.00 56.10 56.15 1oxx s TRP 293 Cb 0.21 -1.31 -0.02 0.00 -1.15 0.00 0.00 33.47 31.20 1oxx s TRP 293 CO 0.43 0.22 -0.26 0.96 0.02 0.00 0.00 176.95 178.32 1oxx s ILE 294 N -0.93 2.06 0.10 2.03 -4.36 -0.33 -4.94 121.20 114.83 1oxx s ILE 294 Ca 0.12 -1.22 -0.31 0.00 -0.26 0.00 0.00 60.65 58.99 1oxx s ILE 294 Cb -0.10 -1.73 -0.07 0.00 1.25 0.00 0.00 42.46 41.81 1oxx s ILE 294 CO 0.04 0.48 1.25 -0.76 0.24 0.00 0.00 174.94 176.19 1oxx s LEU 295 N -0.88 4.38 0.00 0.37 1.43 -1.26 -0.80 118.68 121.93 1oxx s LEU 295 Ca 0.11 2.13 0.05 0.00 -1.03 0.00 0.00 54.13 55.39 1oxx s LEU 295 Cb -0.10 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.50 1oxx s LEU 295 CO 0.00 -0.50 0.31 1.33 0.23 0.00 0.00 176.35 177.72 1oxx n VAL 296 N 3.68 0.00 -0.56 -1.59 0.24 0.03 -4.94 118.33 115.19 1oxx n VAL 296 Ca 0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1oxx n VAL 296 Cb 0.45 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 33.85 1oxx n VAL 296 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oxx n GLY 297 N 0.93 0.74 3.90 7.63 0.00 -1.20 -0.45 105.19 116.74 1oxx n GLY 297 Ca 0.01 -1.79 -0.26 0.00 0.00 0.00 0.00 46.02 43.98 1oxx n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxx s LYS 298 N -2.00 3.29 0.36 1.61 1.02 -1.15 -0.38 119.74 122.49 1oxx s LYS 298 Ca 0.00 -0.66 -0.03 0.00 0.02 0.00 0.00 55.97 55.30 1oxx s LYS 298 Cb 0.00 -2.88 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 1oxx s LYS 298 CO 0.00 0.52 0.53 0.20 -0.92 0.00 0.00 175.35 175.67 1oxx s GLY 299 N -3.15 1.41 -0.02 -3.33 0.00 0.40 -4.01 107.32 98.62 1oxx s GLY 299 Ca 0.34 -1.46 0.01 0.00 0.00 0.00 0.00 44.72 43.60 1oxx s GLY 299 CO 0.27 -0.92 -0.02 1.25 0.00 0.00 0.00 173.10 173.67 1oxx s LYS 300 N -2.85 0.41 0.06 2.90 2.20 0.02 -0.84 119.74 121.63 1oxx s LYS 300 Ca 0.29 -0.04 -0.31 0.00 -0.36 0.00 0.00 55.97 55.55 1oxx s LYS 300 Cb -0.01 -0.49 -0.08 0.00 -1.51 0.00 0.00 37.83 35.75 1oxx s LYS 300 CO 0.20 -0.04 1.55 0.08 -0.36 0.00 0.00 175.35 176.79 1oxx s VAL 301 N 0.57 3.22 -0.23 4.02 1.01 -0.21 -1.62 120.40 127.16 1oxx s VAL 301 Ca -0.06 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.45 1oxx s VAL 301 Cb -0.09 -3.45 -0.17 0.00 0.00 0.00 0.00 36.38 32.67 1oxx s VAL 301 CO -0.01 0.01 -0.03 1.17 0.00 0.00 0.00 175.10 176.24 1oxx n LYS 302 N 5.27 0.59 -3.51 2.72 4.81 0.60 -0.66 118.16 127.98 1oxx n LYS 302 Ca 0.15 0.41 -0.17 0.00 -0.87 0.00 0.00 58.31 57.83 1oxx n LYS 302 Cb 0.41 -1.63 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 1oxx n LYS 302 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1oxx s VAL 303 N -2.44 0.00 -0.03 3.15 0.11 -1.12 -4.78 120.40 115.28 1oxx s VAL 303 Ca -0.33 -0.02 0.07 0.00 -2.93 0.00 0.00 61.98 58.78 1oxx s VAL 303 Cb 0.10 -0.99 -0.02 0.00 -1.53 0.00 0.00 36.38 33.94 1oxx s VAL 303 CO 0.56 -0.01 -0.25 -0.63 -3.33 0.00 0.00 175.10 171.44 1oxx s ILE 304 N -1.71 2.01 0.38 7.04 1.01 -1.26 -1.13 121.20 127.54 1oxx s ILE 304 Ca -0.09 -1.07 0.08 0.00 0.00 0.00 0.00 60.65 59.57 1oxx s ILE 304 Cb -0.00 -1.68 -0.06 0.00 0.01 0.00 0.00 42.46 40.72 1oxx s ILE 304 CO 0.05 0.57 0.05 -0.83 0.00 0.00 0.00 174.94 174.78 1oxx s GLY 305 N -0.44 2.29 -0.13 6.18 0.00 0.26 -4.97 107.32 110.51 1oxx s GLY 305 Ca 0.05 -2.12 -0.01 0.00 0.00 0.00 0.00 44.72 42.64 1oxx s GLY 305 CO 0.01 -1.97 -0.01 -0.47 0.00 0.00 0.00 173.10 170.65 1oxx s TYR 306 N -2.61 1.09 -0.16 1.90 5.04 -1.26 -0.48 117.35 120.87 1oxx s TYR 306 Ca 0.37 -0.61 -0.15 0.00 -2.44 0.00 0.00 57.07 54.23 1oxx s TYR 306 Cb 0.04 -1.03 0.04 0.00 0.35 0.00 0.00 41.96 41.37 1oxx s TYR 306 CO 0.20 -0.49 0.44 1.14 -1.34 0.00 0.00 175.55 175.50 1oxx s GLN 307 N 1.83 0.51 -1.53 4.97 -2.07 0.23 -4.90 119.66 118.71 1oxx s GLN 307 Ca 0.03 0.60 -0.03 0.00 -1.82 0.00 0.00 55.36 54.14 1oxx s GLN 307 Cb -0.14 0.25 0.01 0.00 -1.09 0.00 0.00 33.01 32.04 1oxx s GLN 307 CO -0.07 -0.06 0.35 0.41 -1.32 0.00 0.00 175.29 174.60 1oxx n GLY 308 N 2.84 -0.51 3.09 2.60 0.00 -1.26 -0.85 105.19 111.09 1oxx n GLY 308 Ca -0.13 0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1oxx n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oxx n GLY 309 N -1.25 0.74 3.57 -0.02 0.00 -1.26 -5.00 105.19 101.97 1oxx n GLY 309 Ca -0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 1oxx n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oxx s LEU 310 N 0.00 2.95 -0.19 0.99 1.43 -0.03 -4.95 118.68 118.87 1oxx s LEU 310 Ca 0.00 -0.67 -0.18 0.00 -1.03 0.00 0.00 54.13 52.25 1oxx s LEU 310 Cb 0.00 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1oxx s LEU 310 CO 0.00 0.07 0.49 -0.36 0.23 0.00 0.00 176.35 176.78 1oxx s PHE 311 N -1.96 3.38 -0.51 0.29 0.40 -0.05 -0.60 117.98 118.94 1oxx s PHE 311 Ca 0.27 0.75 -0.19 0.00 -0.60 0.00 0.00 56.93 57.16 1oxx s PHE 311 Cb -0.08 -2.63 0.06 0.00 0.51 0.00 0.00 43.02 40.88 1oxx s PHE 311 CO 0.16 -0.06 0.62 0.50 0.70 0.00 0.00 175.22 177.14 1oxx s ARG 312 N 1.49 3.12 -0.27 0.44 3.52 0.37 -0.47 118.95 127.15 1oxx s ARG 312 Ca 0.23 -0.91 -0.11 0.00 -0.13 0.00 0.00 55.73 54.81 1oxx s ARG 312 Cb -0.15 -4.10 -0.05 0.00 -1.56 0.00 0.00 34.95 29.09 1oxx s ARG 312 CO 0.09 -1.22 0.17 0.42 -0.81 0.00 0.00 175.30 173.96 1oxx s ILE 313 N 2.60 5.27 -0.19 4.11 1.01 0.21 -0.58 121.20 133.64 1oxx s ILE 313 Ca 0.15 0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.89 1oxx s ILE 313 Cb -0.19 -3.49 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 1oxx s ILE 313 CO 0.12 0.28 0.03 -0.89 0.00 0.00 0.00 174.94 174.48 1oxx s THR 314 N 1.53 4.37 0.35 2.92 2.01 -0.28 -1.51 115.64 125.03 1oxx s THR 314 Ca 0.07 -0.18 0.09 0.00 0.31 0.00 0.00 61.69 61.99 1oxx s THR 314 Cb -0.15 -2.97 -0.06 0.00 0.01 0.00 0.00 72.50 69.32 1oxx s THR 314 CO 0.09 0.44 -0.04 0.27 -0.69 0.00 0.00 174.62 174.69 1oxx s ILE 315 N 0.67 2.40 0.13 1.82 -5.25 0.87 -0.29 121.20 121.54 1oxx s ILE 315 Ca 0.01 -2.09 0.06 0.00 -0.99 0.00 0.00 60.65 57.64 1oxx s ILE 315 Cb -0.14 -2.73 -0.04 0.00 2.95 0.00 0.00 42.46 42.50 1oxx s ILE 315 CO 0.02 -0.19 -0.13 0.42 -1.79 0.00 0.00 174.94 173.27 1oxx s THR 316 N -2.57 1.30 0.84 8.37 -4.23 -0.64 -1.48 115.64 117.23 1oxx s THR 316 Ca 0.34 -1.82 -0.11 0.00 -1.18 0.00 0.00 61.69 58.92 1oxx s THR 316 Cb 0.02 -1.62 0.10 0.00 1.34 0.00 0.00 72.50 72.34 1oxx s THR 316 CO 0.18 -0.51 1.10 -2.84 -0.54 0.00 0.00 174.62 172.01 1oxx s PRO 317 N -2.98 1.68 0.44 3.99 0.02 -1.25 -0.80 135.00 136.09 1oxx s PRO 317 Ca 0.11 1.16 -0.24 0.00 0.02 0.00 0.00 61.00 62.05 1oxx s PRO 317 Cb -0.03 -1.83 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 1oxx s PRO 317 CO 0.03 -2.05 1.20 -0.51 -0.33 0.00 0.00 177.00 175.34 1oxx s LEU 318 N -6.17 4.10 -1.37 -5.54 1.02 -1.26 -3.31 118.68 106.14 1oxx s LEU 318 Ca 0.63 2.41 -0.04 0.00 0.02 0.00 0.00 54.13 57.15 1oxx s LEU 318 Cb -0.19 -4.11 0.00 0.00 0.02 0.00 0.00 46.19 41.92 1oxx s LEU 318 CO 0.57 -0.87 0.52 0.47 0.02 0.00 0.00 176.35 177.06 1oxx n ASP 319 N -0.23 -5.57 -3.53 2.29 9.92 -1.26 -1.96 116.55 116.21 1oxx n ASP 319 Ca 0.06 -0.25 -0.17 0.00 -0.53 0.00 0.00 54.79 53.90 1oxx n ASP 319 Cb 0.47 -4.41 -0.06 0.00 -0.64 0.00 0.00 41.12 36.48 1oxx n ASP 319 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1oxx s SER 320 N -2.73 -0.64 0.00 -2.24 0.15 -1.21 -4.38 113.70 102.65 1oxx s SER 320 Ca 0.26 0.73 0.21 0.00 0.70 0.00 0.00 55.95 57.84 1oxx s SER 320 Cb -0.11 0.56 0.29 0.00 -1.71 0.00 0.00 66.02 65.05 1oxx s SER 320 CO 0.32 -0.57 1.26 -0.62 1.20 0.00 0.00 173.24 174.83 1oxx n GLU 321 N 0.98 2.17 -2.14 5.44 1.02 -1.26 -4.40 120.64 122.45 1oxx n GLU 321 Ca -0.18 -1.99 -0.39 0.00 -0.02 0.00 0.00 57.16 54.59 1oxx n GLU 321 Cb 0.57 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.55 1oxx n GLU 321 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1oxx s GLU 322 N -1.52 3.92 0.10 3.49 0.41 -1.26 -5.01 118.70 118.84 1oxx s GLU 322 Ca 0.30 2.02 0.07 0.00 -0.41 0.00 0.00 54.97 56.96 1oxx s GLU 322 Cb 0.19 -2.66 -0.04 0.00 -1.78 0.00 0.00 34.13 29.84 1oxx s GLU 322 CO 0.27 -0.49 -0.13 -1.21 -0.49 0.00 0.00 175.26 173.22 1oxx s GLU 323 N -2.34 2.05 -0.06 1.61 2.02 -1.26 -3.94 118.70 116.77 1oxx s GLU 323 Ca 0.58 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.52 1oxx s GLU 323 Cb -0.35 -2.25 0.02 0.00 0.10 0.00 0.00 34.13 31.65 1oxx s GLU 323 CO 0.44 0.51 -0.03 0.42 0.02 0.00 0.00 175.26 176.62 1oxx s ILE 324 N -1.17 0.48 0.16 -1.63 1.01 -0.55 -4.65 121.20 114.86 1oxx s ILE 324 Ca 0.20 -0.03 0.08 0.00 0.00 0.00 0.00 60.65 60.90 1oxx s ILE 324 Cb -0.11 -0.56 -0.04 0.00 0.01 0.00 0.00 42.46 41.76 1oxx s ILE 324 CO 0.12 0.24 -0.07 0.72 0.00 0.00 0.00 174.94 175.95 1oxx s PHE 325 N 1.34 2.72 0.22 3.97 -0.12 -1.26 -0.09 117.98 124.75 1oxx s PHE 325 Ca -0.04 -0.18 -0.12 0.00 -0.05 0.00 0.00 56.93 56.53 1oxx s PHE 325 Cb -0.13 -1.35 -0.00 0.00 -0.63 0.00 0.00 43.02 40.91 1oxx s PHE 325 CO -0.02 0.49 0.43 -0.08 -0.05 0.00 0.00 175.22 175.99 1oxx s THR 326 N -1.58 0.02 -0.03 -4.49 -1.32 -0.57 -4.33 115.64 103.35 1oxx s THR 326 Ca 0.25 -1.32 0.03 0.00 -1.21 0.00 0.00 61.69 59.44 1oxx s THR 326 Cb -0.10 -2.03 -0.03 0.00 -1.51 0.00 0.00 72.50 68.84 1oxx s THR 326 CO 0.16 -0.09 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.06 1oxx s TYR 327 N -3.99 2.80 0.05 9.09 1.51 -1.26 -0.62 117.35 124.94 1oxx s TYR 327 Ca 0.20 -0.08 -0.07 0.00 -1.01 0.00 0.00 57.07 56.10 1oxx s TYR 327 Cb 0.00 -1.63 -0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1oxx s TYR 327 CO 0.05 0.28 0.13 0.45 -1.11 0.00 0.00 175.55 175.36 1oxx s SER 328 N -0.99 0.16 0.20 2.29 0.15 0.38 -4.95 113.70 110.94 1oxx s SER 328 Ca 0.13 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.17 1oxx s SER 328 Cb -0.11 0.27 0.13 0.00 -1.71 0.00 0.00 66.02 64.61 1oxx s SER 328 CO 0.03 -0.59 1.54 0.44 1.20 0.00 0.00 173.24 175.85 1oxx h ASP 329 N 3.29 0.68 -3.82 5.45 3.32 -1.92 -0.09 116.42 123.32 1oxx h ASP 329 Ca -0.33 -0.32 -0.62 0.00 0.02 0.00 0.00 57.03 55.77 1oxx h ASP 329 Cb 1.19 -0.19 -0.21 0.00 0.22 0.00 0.00 39.33 40.34 1oxx h ASP 329 CO 0.53 1.03 -0.84 -1.00 -1.72 0.00 0.00 179.24 177.25 1oxx s HIS 330 N -4.18 2.09 0.58 4.55 3.76 -1.26 -4.78 115.29 116.05 1oxx s HIS 330 Ca -0.08 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1oxx s HIS 330 Cb 0.12 -1.11 -0.05 0.00 1.11 0.00 0.00 32.58 32.65 1oxx s HIS 330 CO 0.84 0.33 1.00 -1.25 -0.85 0.00 0.00 174.74 174.81 1oxx s PRO 331 N -2.21 3.71 -0.16 8.40 0.04 -1.26 -4.90 135.00 138.62 1oxx s PRO 331 Ca 0.13 0.79 -0.00 0.00 0.04 0.00 0.00 61.00 61.96 1oxx s PRO 331 Cb -0.09 -2.11 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1oxx s PRO 331 CO 0.06 -0.45 -0.08 0.42 0.04 0.00 0.00 177.00 176.99 1oxx s ILE 332 N -2.97 1.28 0.72 0.56 1.01 -1.26 -5.13 121.20 115.41 1oxx s ILE 332 Ca 0.56 -0.65 -0.13 0.00 0.00 0.00 0.00 60.65 60.43 1oxx s ILE 332 Cb -0.11 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.03 1oxx s ILE 332 CO 0.46 0.23 1.11 -1.38 0.00 0.00 0.00 174.94 175.36 1oxx s HIS 333 N 1.57 2.52 0.27 3.97 -3.43 -1.26 -4.90 115.29 114.02 1oxx s HIS 333 Ca 0.02 1.57 -0.30 0.00 -0.80 0.00 0.00 55.06 55.54 1oxx s HIS 333 Cb -0.15 -3.15 -0.13 0.00 -1.43 0.00 0.00 32.58 27.73 1oxx s HIS 333 CO -0.08 -1.85 1.45 0.45 -2.00 0.00 0.00 174.74 172.71 1oxx n SER 334 N -2.96 3.07 0.00 7.38 2.88 -1.26 -2.07 113.62 120.66 1oxx n SER 334 Ca 0.10 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.79 1oxx n SER 334 Cb 0.52 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.50 1oxx n SER 334 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oxx n GLY 335 N 1.98 1.82 3.75 0.46 0.00 0.16 -4.97 105.19 108.39 1oxx n GLY 335 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1oxx n GLY 335 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxx s GLU 336 N -0.72 4.48 0.06 1.61 0.41 -0.88 -4.70 118.70 118.96 1oxx s GLU 336 Ca 0.00 1.98 -0.25 0.00 -0.41 0.00 0.00 54.97 56.29 1oxx s GLU 336 Cb 0.00 -3.17 -0.06 0.00 -1.78 0.00 0.00 34.13 29.12 1oxx s GLU 336 CO 0.00 -0.06 0.78 -1.83 -0.49 0.00 0.00 175.26 173.65 1oxx s GLU 337 N -0.95 4.52 0.11 1.61 -1.05 -1.26 -1.04 118.70 120.63 1oxx s GLU 337 Ca 0.50 1.10 0.02 0.00 -0.15 0.00 0.00 54.97 56.44 1oxx s GLU 337 Cb -0.35 -3.35 -0.04 0.00 -0.44 0.00 0.00 34.13 29.95 1oxx s GLU 337 CO 0.42 0.32 -0.06 0.14 0.95 0.00 0.00 175.26 177.03 1oxx s VAL 338 N -0.20 0.75 0.08 1.83 -7.23 -0.02 -4.80 120.40 110.80 1oxx s VAL 338 Ca 0.39 -1.95 -0.14 0.00 -1.81 0.00 0.00 61.98 58.46 1oxx s VAL 338 Cb -0.21 -1.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.93 1oxx s VAL 338 CO 0.24 -0.83 0.47 -0.76 -0.31 0.00 0.00 175.10 173.91 1oxx s LEU 339 N -3.07 4.40 -0.19 1.32 1.43 0.12 -0.45 118.68 122.25 1oxx s LEU 339 Ca 0.13 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.21 1oxx s LEU 339 Cb 0.05 -2.96 -0.00 0.00 0.03 0.00 0.00 46.19 43.31 1oxx s LEU 339 CO -0.03 0.20 -0.11 -0.69 0.23 0.00 0.00 176.35 175.95 1oxx s VAL 340 N -1.30 2.94 0.10 -1.59 1.01 0.48 -1.98 120.40 120.06 1oxx s VAL 340 Ca 0.32 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.73 1oxx s VAL 340 Cb -0.16 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 1oxx s VAL 340 CO 0.17 0.48 -0.19 -0.31 0.00 0.00 0.00 175.10 175.26 1oxx s TYR 341 N 1.13 2.52 0.21 5.22 1.51 -0.01 -0.79 117.35 127.14 1oxx s TYR 341 Ca 0.01 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 55.81 1oxx s TYR 341 Cb -0.14 -1.36 -0.05 0.00 -0.11 0.00 0.00 41.96 40.29 1oxx s TYR 341 CO -0.03 0.35 0.06 0.14 -1.11 0.00 0.00 175.55 174.96 1oxx s VAL 342 N -1.09 0.53 -0.43 0.71 -7.23 0.02 -1.06 120.40 111.84 1oxx s VAL 342 Ca 0.17 -1.99 -0.27 0.00 -1.81 0.00 0.00 61.98 58.08 1oxx s VAL 342 Cb -0.11 -2.38 0.02 0.00 0.56 0.00 0.00 36.38 34.48 1oxx s VAL 342 CO 0.09 -0.22 1.03 -0.13 -0.31 0.00 0.00 175.10 175.56 1oxx s ARG 343 N -4.00 3.74 0.23 4.82 1.81 -0.70 -1.19 118.95 123.67 1oxx s ARG 343 Ca 0.32 0.52 -0.06 0.00 -1.72 0.00 0.00 55.73 54.78 1oxx s ARG 343 Cb 0.07 -3.87 0.37 0.00 -0.45 0.00 0.00 34.95 31.07 1oxx s ARG 343 CO 0.09 -1.19 1.75 -0.22 -0.68 0.00 0.00 175.30 175.05 1oxx h LYS 344 N 8.89 0.47 0.00 3.54 3.64 -1.92 -0.61 116.57 130.59 1oxx h LYS 344 Ca -0.23 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.12 1oxx h LYS 344 Cb 1.07 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 1oxx h LYS 344 CO 1.06 0.31 0.00 -0.40 -2.27 0.00 0.00 179.45 178.15 1oxx n ASP 345 N -4.96 0.00 -0.72 4.20 5.75 -1.26 -2.65 116.55 116.92 1oxx n ASP 345 Ca 0.12 -0.25 0.08 0.00 -0.01 0.00 0.00 54.79 54.72 1oxx n ASP 345 Cb 0.33 -0.20 0.11 0.00 -1.03 0.00 0.00 41.12 40.34 1oxx n ASP 345 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1oxx n LYS 346 N -1.20 1.67 -2.28 0.11 4.76 -0.24 -4.93 118.16 116.06 1oxx n LYS 346 Ca 0.13 -1.69 -0.42 0.00 -2.87 0.00 0.00 58.31 53.45 1oxx n LYS 346 Cb 0.15 -1.33 -0.03 0.00 -1.84 0.00 0.00 35.03 31.98 1oxx n LYS 346 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1oxx s ILE 347 N -1.24 3.83 -0.10 -0.18 1.01 -1.08 -4.71 121.20 118.72 1oxx s ILE 347 Ca 0.23 1.20 -0.05 0.00 0.00 0.00 0.00 60.65 62.03 1oxx s ILE 347 Cb 0.14 -3.77 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1oxx s ILE 347 CO 0.21 0.00 0.08 -0.54 0.00 0.00 0.00 174.94 174.69 1oxx s LYS 348 N 2.32 3.24 -0.00 2.79 1.02 -0.10 -4.98 119.74 124.03 1oxx s LYS 348 Ca 0.62 -0.25 0.01 0.00 0.02 0.00 0.00 55.97 56.36 1oxx s LYS 348 Cb -0.30 -3.01 0.00 0.00 -0.52 0.00 0.00 37.83 34.00 1oxx s LYS 348 CO 0.26 0.74 -0.01 0.54 -0.92 0.00 0.00 175.35 175.96 1oxx s VAL 349 N -0.96 0.13 0.05 3.17 0.11 -1.26 -0.48 120.40 121.16 1oxx s VAL 349 Ca 0.14 -0.05 0.02 0.00 -2.93 0.00 0.00 61.98 59.17 1oxx s VAL 349 Cb -0.12 -0.13 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1oxx s VAL 349 CO 0.03 0.05 -0.08 -0.36 -3.33 0.00 0.00 175.10 171.41 1oxx s PHE 350 N 0.08 0.74 0.34 1.54 0.40 -0.18 -4.99 117.98 115.90 1oxx s PHE 350 Ca -0.00 -0.53 -0.28 0.00 -0.60 0.00 0.00 56.93 55.52 1oxx s PHE 350 Cb -0.02 -0.44 -0.10 0.00 0.51 0.00 0.00 43.02 42.98 1oxx s PHE 350 CO -0.00 -0.08 1.23 -1.21 0.70 0.00 0.00 175.22 175.86 1oxx s GLU 351 N -1.77 4.34 0.00 0.44 2.02 -1.26 -0.64 118.70 121.83 1oxx s GLU 351 Ca -0.08 2.05 0.27 0.00 0.02 0.00 0.00 54.97 57.24 1oxx s GLU 351 Cb -0.09 -3.01 0.91 0.00 0.10 0.00 0.00 34.13 32.04 1oxx s GLU 351 CO 0.00 -0.14 1.67 1.17 0.02 0.00 0.00 175.26 177.98