#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oxu s VAL 2 N 0.00 0.00 -0.18 3.17 0.11 -1.26 -4.94 120.40 117.30 1oxu s VAL 2 Ca 0.00 0.00 -0.09 0.00 -2.93 0.00 0.00 61.98 58.96 1oxu s VAL 2 Cb 0.00 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.80 1oxu s VAL 2 CO 0.00 0.00 0.14 -0.60 -3.33 0.00 0.00 175.10 171.31 1oxu s ARG 3 N 1.11 4.01 -0.27 1.54 3.52 -1.26 -3.70 118.95 123.91 1oxu s ARG 3 Ca -0.06 -0.18 -0.04 0.00 -0.13 0.00 0.00 55.73 55.32 1oxu s ARG 3 Cb -0.05 -3.36 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 1oxu s ARG 3 CO -0.12 0.42 0.01 0.42 -0.81 0.00 0.00 175.30 175.21 1oxu s ILE 4 N 0.02 3.45 -0.36 4.11 1.01 -0.02 -0.54 121.20 128.87 1oxu s ILE 4 Ca 0.10 -0.84 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 1oxu s ILE 4 Cb -0.11 -2.76 0.03 0.00 0.01 0.00 0.00 42.46 39.62 1oxu s ILE 4 CO -0.00 0.14 0.18 -0.63 0.00 0.00 0.00 174.94 174.63 1oxu s ILE 5 N 1.42 4.43 -0.41 2.92 1.01 -0.69 0.12 121.20 130.00 1oxu s ILE 5 Ca 0.02 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.64 1oxu s ILE 5 Cb -0.17 -3.46 0.02 0.00 0.01 0.00 0.00 42.46 38.86 1oxu s ILE 5 CO -0.01 -0.20 0.32 -0.69 0.00 0.00 0.00 174.94 174.36 1oxu s VAL 6 N 1.53 5.24 -0.28 2.92 1.01 0.11 -1.39 120.40 129.54 1oxu s VAL 6 Ca 0.02 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.34 1oxu s VAL 6 Cb -0.19 -3.95 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1oxu s VAL 6 CO 0.06 -0.33 -0.01 -0.75 0.00 0.00 0.00 175.10 174.07 1oxu s LYS 7 N 1.74 2.65 -1.56 2.72 2.20 -0.21 -1.83 119.74 125.45 1oxu s LYS 7 Ca 0.06 -1.12 -0.10 0.00 -0.36 0.00 0.00 55.97 54.45 1oxu s LYS 7 Cb -0.19 -3.13 0.08 0.00 -1.51 0.00 0.00 37.83 33.08 1oxu s LYS 7 CO 0.10 -0.52 0.66 0.09 -0.36 0.00 0.00 175.35 175.32 1oxu n ASN 8 N 4.67 -2.24 -4.68 1.43 3.02 -1.06 -1.12 115.26 115.26 1oxu n ASN 8 Ca -0.15 -0.98 -0.43 0.00 -0.03 0.00 0.00 54.58 53.00 1oxu n ASN 8 Cb 0.45 -3.02 -0.02 0.00 -0.61 0.00 0.00 39.78 36.58 1oxu n ASN 8 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oxu s VAL 9 N -3.57 4.77 0.11 2.41 1.01 -0.74 -3.26 120.40 121.12 1oxu s VAL 9 Ca 0.43 2.04 0.07 0.00 0.00 0.00 0.00 61.98 64.51 1oxu s VAL 9 Cb -0.23 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 1oxu s VAL 9 CO 0.90 -0.03 -0.16 -0.44 0.00 0.00 0.00 175.10 175.37 1oxu s SER 10 N 1.11 2.11 -0.05 3.32 0.01 -0.08 -0.73 113.70 119.39 1oxu s SER 10 Ca 0.48 -0.73 -0.02 0.00 1.31 0.00 0.00 55.95 56.99 1oxu s SER 10 Cb -0.18 -0.09 0.04 0.00 0.21 0.00 0.00 66.02 66.00 1oxu s SER 10 CO 0.16 -0.06 0.10 -0.75 0.41 0.00 0.00 173.24 173.10 1oxu s LYS 11 N -2.21 0.02 0.16 12.44 2.47 -0.77 0.41 119.74 132.26 1oxu s LYS 11 Ca 0.06 0.34 0.10 0.00 -1.56 0.00 0.00 55.97 54.91 1oxu s LYS 11 Cb -0.08 -0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 35.99 1oxu s LYS 11 CO 0.03 -0.21 -0.23 0.14 0.16 0.00 0.00 175.35 175.24 1oxu s VAL 12 N 1.46 2.16 0.35 4.02 -7.23 -1.26 -0.90 120.40 119.00 1oxu s VAL 12 Ca -0.05 -1.89 0.03 0.00 -1.81 0.00 0.00 61.98 58.26 1oxu s VAL 12 Cb -0.12 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 1oxu s VAL 12 CO -0.05 -0.10 0.11 -0.36 -0.31 0.00 0.00 175.10 174.39 1oxu s PHE 13 N -1.54 1.78 -1.35 2.82 0.40 -0.06 -4.80 117.98 115.24 1oxu s PHE 13 Ca 0.17 -1.19 -0.02 0.00 -0.60 0.00 0.00 56.93 55.29 1oxu s PHE 13 Cb -0.08 -1.12 0.01 0.00 0.51 0.00 0.00 43.02 42.34 1oxu s PHE 13 CO 0.08 -0.25 0.70 1.63 0.70 0.00 0.00 175.22 178.08 1oxu n LYS 14 N -0.75 -4.78 -2.46 0.44 5.02 -1.26 -1.97 118.16 112.40 1oxu n LYS 14 Ca -0.03 0.59 -0.19 0.00 -2.02 0.00 0.00 58.31 56.66 1oxu n LYS 14 Cb 0.66 -5.14 -0.01 0.00 -0.02 0.00 0.00 35.03 30.52 1oxu n LYS 14 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1oxu n LYS 15 N -4.33 -2.03 -0.01 1.97 5.02 -1.26 -1.68 118.16 115.82 1oxu n LYS 15 Ca -0.26 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1oxu n LYS 15 Cb 0.66 -5.54 0.00 0.00 -0.02 0.00 0.00 35.03 30.13 1oxu n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oxu n GLY 16 N -0.99 0.26 0.14 0.72 0.00 -0.86 -4.95 105.19 99.52 1oxu n GLY 16 Ca -0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.81 1oxu n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1oxu h LYS 17 N 4.20 0.00 -5.02 1.61 3.64 -1.10 -3.42 116.57 116.47 1oxu h LYS 17 Ca 0.00 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 58.72 1oxu h LYS 17 Cb 0.00 0.00 -0.29 0.00 -0.41 0.00 0.00 32.23 31.53 1oxu h LYS 17 CO 0.00 0.58 -0.75 0.08 -2.27 0.00 0.00 179.45 177.09 1oxu s VAL 18 N -3.67 3.13 -0.51 2.00 1.01 -0.83 -5.01 120.40 116.52 1oxu s VAL 18 Ca -0.01 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 1oxu s VAL 18 Cb 0.13 -2.41 0.11 0.00 0.00 0.00 0.00 36.38 34.21 1oxu s VAL 18 CO 0.76 0.45 0.46 -0.69 0.00 0.00 0.00 175.10 176.07 1oxu s VAL 19 N 1.39 5.21 0.13 2.92 1.01 -1.26 -0.88 120.40 128.93 1oxu s VAL 19 Ca 0.05 -1.32 0.03 0.00 0.00 0.00 0.00 61.98 60.73 1oxu s VAL 19 Cb -0.14 -4.25 -0.20 0.00 0.00 0.00 0.00 36.38 31.80 1oxu s VAL 19 CO -0.05 -0.75 1.30 0.00 0.00 0.00 0.00 175.10 175.60 1oxu h ALA 20 N 8.83 0.38 -3.57 5.51 0.00 -1.39 -3.43 119.26 125.60 1oxu h ALA 20 Ca -0.29 -0.81 -0.32 0.00 0.00 0.00 0.00 54.91 53.48 1oxu h ALA 20 Cb 1.10 -0.08 -0.33 0.00 0.00 0.00 0.00 17.79 18.48 1oxu h ALA 20 CO 0.97 1.03 -0.74 -0.51 0.00 0.00 0.00 179.25 180.00 1oxu s LEU 21 N -7.14 1.36 -0.32 0.00 1.43 -1.12 -3.64 118.68 109.25 1oxu s LEU 21 Ca -0.02 -0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1oxu s LEU 21 Cb 0.09 -0.19 0.09 0.00 0.03 0.00 0.00 46.19 46.22 1oxu s LEU 21 CO 0.84 -0.07 0.02 -0.62 0.23 0.00 0.00 176.35 176.74 1oxu s ASP 22 N 0.76 4.62 -1.29 2.29 3.68 0.11 -1.85 116.67 124.99 1oxu s ASP 22 Ca -0.07 -1.93 -0.13 0.00 2.13 0.00 0.00 52.55 52.54 1oxu s ASP 22 Cb -0.11 -1.54 0.00 0.00 -1.45 0.00 0.00 42.92 39.83 1oxu s ASP 22 CO -0.01 -0.34 0.57 -3.20 0.13 0.00 0.00 175.17 172.32 1oxu n ASN 23 N 4.35 -2.66 -4.70 -0.34 2.85 -1.00 -4.69 115.26 109.07 1oxu n ASN 23 Ca -0.01 -1.07 -0.42 0.00 -0.11 0.00 0.00 54.58 52.97 1oxu n ASN 23 Cb 0.42 -2.88 -0.03 0.00 1.24 0.00 0.00 39.78 38.54 1oxu n ASN 23 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1oxu s VAL 24 N -3.74 4.39 -0.18 3.44 1.01 0.09 -4.66 120.40 120.75 1oxu s VAL 24 Ca 0.25 1.71 0.01 0.00 0.00 0.00 0.00 61.98 63.95 1oxu s VAL 24 Cb -0.10 -4.10 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1oxu s VAL 24 CO 0.90 0.05 -0.12 0.20 0.00 0.00 0.00 175.10 176.13 1oxu s ASN 25 N 1.26 3.06 -0.11 3.32 0.01 -1.26 -1.80 114.94 119.41 1oxu s ASN 25 Ca 0.54 -0.70 -0.11 0.00 -0.71 0.00 0.00 52.86 51.88 1oxu s ASN 25 Cb -0.24 -1.19 0.03 0.00 0.41 0.00 0.00 41.25 40.26 1oxu s ASN 25 CO 0.24 -0.11 0.30 -0.63 -1.51 0.00 0.00 177.10 175.39 1oxu s ILE 26 N 1.45 0.00 -0.26 0.60 1.01 -0.76 -5.02 121.20 118.22 1oxu s ILE 26 Ca 0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 60.65 60.65 1oxu s ILE 26 Cb -0.15 -0.43 0.04 0.00 0.01 0.00 0.00 42.46 41.93 1oxu s ILE 26 CO -0.09 -0.01 -0.07 0.20 0.00 0.00 0.00 174.94 174.97 1oxu s ASN 27 N 0.12 4.43 -0.21 3.58 0.01 -1.26 0.08 114.94 121.68 1oxu s ASN 27 Ca -0.00 -1.14 -0.11 0.00 -0.71 0.00 0.00 52.86 50.90 1oxu s ASN 27 Cb -0.02 -1.63 -0.05 0.00 0.41 0.00 0.00 41.25 39.96 1oxu s ASN 27 CO 0.01 -0.18 0.19 -0.63 -1.51 0.00 0.00 177.10 174.98 1oxu s ILE 28 N 1.23 5.35 0.54 0.60 1.01 0.12 -4.96 121.20 125.10 1oxu s ILE 28 Ca -0.04 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 60.77 1oxu s ILE 28 Cb -0.18 -3.53 -0.06 0.00 0.01 0.00 0.00 42.46 38.70 1oxu s ILE 28 CO -0.04 0.37 0.96 -1.61 0.00 0.00 0.00 174.94 174.62 1oxu s GLU 29 N 0.76 3.76 -0.01 2.79 0.41 -1.26 -0.84 118.70 124.31 1oxu s GLU 29 Ca 0.10 0.76 -0.35 0.00 -0.41 0.00 0.00 54.97 55.07 1oxu s GLU 29 Cb -0.13 -2.16 -0.13 0.00 -1.78 0.00 0.00 34.13 29.93 1oxu s GLU 29 CO 0.02 -0.36 1.70 0.27 -0.49 0.00 0.00 175.26 176.41 1oxu n ASN 30 N -2.07 3.00 -0.50 -0.19 6.94 -1.24 -0.97 115.26 120.23 1oxu n ASN 30 Ca 0.05 1.04 -0.07 0.00 -0.02 0.00 0.00 54.58 55.59 1oxu n ASN 30 Cb 0.54 -1.34 -0.03 0.00 -2.36 0.00 0.00 39.78 36.59 1oxu n ASN 30 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1oxu n GLY 31 N 3.83 0.83 3.81 4.83 0.00 -1.26 -4.59 105.19 112.63 1oxu n GLY 31 Ca 0.21 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 1oxu n GLY 31 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1oxu s GLU 32 N -2.17 4.36 -0.66 1.61 2.12 -0.14 -4.74 118.70 119.08 1oxu s GLU 32 Ca 0.00 1.14 -0.13 0.00 0.36 0.00 0.00 54.97 56.34 1oxu s GLU 32 Cb 0.00 -2.53 0.17 0.00 0.26 0.00 0.00 34.13 32.03 1oxu s GLU 32 CO 0.00 0.16 0.59 1.03 -0.54 0.00 0.00 175.26 176.50 1oxu s ARG 33 N -2.57 3.16 -0.10 4.30 0.52 -1.26 -1.00 118.95 122.00 1oxu s ARG 33 Ca 0.54 -2.10 -0.05 0.00 -0.52 0.00 0.00 55.73 53.61 1oxu s ARG 33 Cb -0.14 -4.27 -0.04 0.00 0.52 0.00 0.00 34.95 31.02 1oxu s ARG 33 CO 0.19 -1.29 0.09 0.12 0.02 0.00 0.00 175.30 174.43 1oxu s PHE 34 N 0.84 3.44 0.10 -0.53 5.36 0.15 -0.66 117.98 126.68 1oxu s PHE 34 Ca 0.11 0.40 0.07 0.00 -0.96 0.00 0.00 56.93 56.55 1oxu s PHE 34 Cb -0.20 -1.88 -0.03 0.00 -0.34 0.00 0.00 43.02 40.56 1oxu s PHE 34 CO -0.03 0.64 -0.18 0.20 -1.46 0.00 0.00 175.22 174.39 1oxu s GLY 35 N -1.02 1.12 -0.12 13.12 0.00 -0.50 -1.55 107.32 118.38 1oxu s GLY 35 Ca 0.15 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 43.70 1oxu s GLY 35 CO 0.04 -1.21 -0.18 -0.42 0.00 0.00 0.00 173.10 171.33 1oxu s ILE 36 N -1.33 1.74 -0.11 0.90 1.01 -0.21 0.25 121.20 123.45 1oxu s ILE 36 Ca 0.05 -0.79 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 1oxu s ILE 36 Cb -0.09 -1.56 -0.03 0.00 0.01 0.00 0.00 42.46 40.80 1oxu s ILE 36 CO 0.04 0.49 -0.08 -0.22 0.00 0.00 0.00 174.94 175.17 1oxu s LEU 37 N 0.86 3.07 -0.21 2.97 2.96 0.16 -1.30 118.68 127.19 1oxu s LEU 37 Ca -0.08 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.41 1oxu s LEU 37 Cb -0.15 -1.70 0.14 0.00 0.50 0.00 0.00 46.19 44.98 1oxu s LEU 37 CO -0.01 0.25 1.09 -0.83 -1.32 0.00 0.00 176.35 175.54 1oxu s GLY 38 N -0.16 -0.15 1.19 7.98 0.00 -0.88 -0.66 107.32 114.63 1oxu s GLY 38 Ca 0.02 2.36 -0.17 0.00 0.00 0.00 0.00 44.72 46.92 1oxu s GLY 38 CO 0.03 1.23 1.07 2.56 0.00 0.00 0.00 173.10 177.99 1oxu s PRO 39 N -0.81 -1.08 0.24 2.90 0.04 -1.26 -3.82 135.00 131.22 1oxu s PRO 39 Ca 0.01 0.18 -0.31 0.00 0.04 0.00 0.00 61.00 60.92 1oxu s PRO 39 Cb -0.02 -1.59 -0.12 0.00 0.04 0.00 0.00 34.50 32.81 1oxu s PRO 39 CO -0.02 -3.66 1.62 0.45 0.04 0.00 0.00 177.00 175.42 1oxu n SER 40 N -4.77 3.71 0.00 6.66 2.88 -1.26 -2.17 113.62 118.67 1oxu n SER 40 Ca 0.10 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1oxu n SER 40 Cb 0.59 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1oxu n SER 40 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1oxu n GLY 41 N 2.93 0.92 0.22 0.46 0.00 -1.26 -4.93 105.19 103.53 1oxu n GLY 41 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1oxu n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oxu h ALA 42 N 0.00 1.52 0.00 4.61 0.00 -1.76 -3.43 119.26 120.19 1oxu h ALA 42 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1oxu h ALA 42 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1oxu h ALA 42 CO 0.00 0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.96 1oxu n GLY 43 N -0.76 1.21 0.34 0.00 0.00 -1.26 -0.09 105.19 104.63 1oxu n GLY 43 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 1oxu n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oxu h LYS 44 N 0.00 -0.53 -0.40 1.61 1.57 -1.89 -1.81 116.57 115.11 1oxu h LYS 44 Ca 0.00 0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 1oxu h LYS 44 Cb 0.00 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 1oxu h LYS 44 CO 0.00 -0.36 -0.19 1.15 -0.57 0.00 0.00 179.45 179.48 1oxu h THR 45 N -0.55 1.27 -0.04 -0.16 2.02 -1.99 -1.35 112.91 112.10 1oxu h THR 45 Ca 0.03 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 65.94 1oxu h THR 45 Cb 0.58 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.12 1oxu h THR 45 CO -0.18 0.43 -0.09 0.74 0.37 0.00 0.00 175.52 176.80 1oxu h THR 46 N 0.69 0.75 -0.30 3.16 2.02 -1.95 0.10 112.91 117.38 1oxu h THR 46 Ca 0.10 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.34 1oxu h THR 46 Cb 0.70 0.75 -0.06 0.00 -1.74 0.00 0.00 68.15 67.80 1oxu h THR 46 CO 0.05 0.00 -0.07 0.15 0.37 0.00 0.00 175.52 176.02 1oxu h PHE 47 N -0.14 -0.15 -0.55 3.16 3.57 -1.10 -1.52 116.94 120.20 1oxu h PHE 47 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.51 1oxu h PHE 47 Cb 0.21 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1oxu h PHE 47 CO -0.18 -0.13 0.09 0.52 -2.23 0.00 0.00 178.31 176.39 1oxu h MET 48 N 0.00 0.88 -0.32 1.11 2.86 -0.87 -1.10 114.93 117.49 1oxu h MET 48 Ca 0.14 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1oxu h MET 48 Cb 0.22 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1oxu h MET 48 CO -0.31 0.82 -0.06 0.00 1.06 0.00 0.00 176.91 178.42 1oxu h ARG 49 N 0.84 0.51 -0.38 1.72 3.08 -0.63 -0.29 114.38 119.23 1oxu h ARG 49 Ca 0.17 -0.13 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 1oxu h ARG 49 Cb 0.37 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1oxu h ARG 49 CO 0.01 0.59 -0.39 0.82 -1.07 0.00 0.00 179.97 179.93 1oxu h ILE 50 N 0.49 1.27 -0.52 2.04 2.04 -0.60 0.25 117.51 122.47 1oxu h ILE 50 Ca 0.10 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.32 1oxu h ILE 50 Cb 0.41 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 1oxu h ILE 50 CO 0.02 0.52 0.03 0.40 0.00 0.00 0.00 178.15 179.13 1oxu h ILE 51 N 0.76 1.25 -0.04 -0.67 1.08 -0.80 -2.88 117.51 116.20 1oxu h ILE 51 Ca 0.06 -0.99 -0.16 0.00 -0.39 0.00 0.00 64.86 63.38 1oxu h ILE 51 Cb 0.98 0.81 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 1oxu h ILE 51 CO 0.10 0.36 -0.70 0.00 -0.69 0.00 0.00 178.15 177.22 1oxu h ALA 52 N 1.23 0.75 0.00 1.87 0.00 -0.94 -3.47 119.26 118.69 1oxu h ALA 52 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1oxu h ALA 52 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1oxu h ALA 52 CO 0.02 0.80 0.00 0.41 0.00 0.00 0.00 179.25 180.48 1oxu n GLY 53 N 0.47 1.05 0.01 0.00 0.00 0.00 -4.05 105.19 102.67 1oxu n GLY 53 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1oxu n GLY 53 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1oxu n LEU 54 N 0.00 0.17 -3.95 0.99 4.77 0.66 -4.40 117.00 115.24 1oxu n LEU 54 Ca 0.00 0.31 -0.09 0.00 -0.03 0.00 0.00 56.01 56.20 1oxu n LEU 54 Cb 0.00 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 1oxu n LEU 54 CO 0.00 0.04 0.30 -0.62 -1.33 0.00 0.00 177.39 175.78 1oxu s ASP 55 N -2.91 -0.01 0.18 -1.43 -1.08 -1.02 -4.95 116.67 105.44 1oxu s ASP 55 Ca 0.16 -0.93 0.04 0.00 -0.52 0.00 0.00 52.55 51.30 1oxu s ASP 55 Cb 0.19 0.67 -0.05 0.00 -1.46 0.00 0.00 42.92 42.27 1oxu s ASP 55 CO 0.56 -1.29 -0.08 0.68 0.52 0.00 0.00 175.17 175.56 1oxu s VAL 56 N -3.66 1.18 0.33 1.11 -7.23 -1.26 -4.23 120.40 106.65 1oxu s VAL 56 Ca 0.19 -2.07 -0.29 0.00 -1.81 0.00 0.00 61.98 58.01 1oxu s VAL 56 Cb -0.03 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.80 1oxu s VAL 56 CO 0.10 -0.61 1.30 -2.84 -0.31 0.00 0.00 175.10 172.73 1oxu s PRO 57 N -3.77 4.35 0.05 4.82 0.02 -1.26 -4.87 135.00 134.33 1oxu s PRO 57 Ca 0.21 2.19 -0.21 0.00 0.02 0.00 0.00 61.00 63.20 1oxu s PRO 57 Cb 0.03 -3.06 -0.13 0.00 0.02 0.00 0.00 34.50 31.36 1oxu s PRO 57 CO 0.03 -0.19 1.45 0.77 -0.33 0.00 0.00 177.00 178.73 1oxu h SER 58 N 3.35 0.25 -4.82 2.53 0.02 -0.41 0.16 113.55 114.62 1oxu h SER 58 Ca -0.49 -0.35 -0.23 0.00 -0.84 0.00 0.00 61.79 59.88 1oxu h SER 58 Cb 1.23 -0.07 -0.19 0.00 0.14 0.00 0.00 62.40 63.51 1oxu h SER 58 CO 0.65 0.54 -0.71 0.42 -1.14 0.00 0.00 176.83 176.59 1oxu s THR 59 N -4.81 0.45 0.00 -2.27 -4.23 -1.17 -2.94 115.64 100.67 1oxu s THR 59 Ca -0.14 -1.27 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1oxu s THR 59 Cb 0.05 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 73.07 1oxu s THR 59 CO 0.72 -0.56 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1oxu n GLY 60 N 1.08 1.20 3.16 3.99 0.00 -1.20 -0.90 105.19 112.51 1oxu n GLY 60 Ca -0.20 -2.10 -0.15 0.00 0.00 0.00 0.00 46.02 43.57 1oxu n GLY 60 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxu s GLU 61 N -1.59 0.79 -0.08 1.61 2.02 -0.28 -1.39 118.70 119.79 1oxu s GLU 61 Ca 0.00 -1.04 0.02 0.00 0.02 0.00 0.00 54.97 53.97 1oxu s GLU 61 Cb 0.00 -0.58 0.02 0.00 0.10 0.00 0.00 34.13 33.67 1oxu s GLU 61 CO 0.00 0.10 -0.12 -1.17 0.02 0.00 0.00 175.26 174.09 1oxu s LEU 62 N -2.12 1.59 -0.01 1.80 2.96 -0.67 -1.04 118.68 121.20 1oxu s LEU 62 Ca 0.01 -0.32 0.07 0.00 -0.22 0.00 0.00 54.13 53.67 1oxu s LEU 62 Cb -0.06 -0.88 -0.02 0.00 0.50 0.00 0.00 46.19 45.73 1oxu s LEU 62 CO 0.01 0.01 -0.24 -0.31 -1.32 0.00 0.00 176.35 174.50 1oxu s TYR 63 N 0.88 2.11 -0.34 5.38 1.51 -0.48 -0.30 117.35 126.10 1oxu s TYR 63 Ca -0.10 -0.40 -0.08 0.00 -1.01 0.00 0.00 57.07 55.48 1oxu s TYR 63 Cb -0.15 -1.34 0.03 0.00 -0.11 0.00 0.00 41.96 40.39 1oxu s TYR 63 CO 0.01 -0.01 0.13 -0.06 -1.11 0.00 0.00 175.55 174.51 1oxu s PHE 64 N -0.60 3.23 0.00 2.71 0.40 0.13 -1.70 117.98 122.15 1oxu s PHE 64 Ca 0.09 -1.18 0.00 0.00 -0.60 0.00 0.00 56.93 55.24 1oxu s PHE 64 Cb -0.09 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.12 1oxu s PHE 64 CO -0.00 -0.67 0.00 -0.25 0.70 0.00 0.00 175.22 175.00 1oxu n ASP 65 N 4.88 0.00 -0.71 1.36 8.00 0.30 -1.13 116.55 129.25 1oxu n ASP 65 Ca -0.13 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.49 1oxu n ASP 65 Cb 0.46 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.90 1oxu n ASP 65 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1oxu n ASP 66 N 5.08 2.15 -4.67 -2.24 5.75 -1.26 -4.87 116.55 116.49 1oxu n ASP 66 Ca 0.00 -1.76 -0.39 0.00 -0.01 0.00 0.00 54.79 52.62 1oxu n ASP 66 Cb 0.00 -0.11 -0.06 0.00 -1.03 0.00 0.00 41.12 39.92 1oxu n ASP 66 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1oxu s ARG 67 N -1.79 4.25 -0.34 0.11 0.52 -0.28 -5.03 118.95 116.38 1oxu s ARG 67 Ca 0.34 0.56 -0.29 0.00 -0.52 0.00 0.00 55.73 55.83 1oxu s ARG 67 Cb 0.19 -3.54 0.01 0.00 0.52 0.00 0.00 34.95 32.14 1oxu s ARG 67 CO 0.29 -0.13 1.16 -1.17 0.02 0.00 0.00 175.30 175.47 1oxu s LEU 68 N 1.55 3.86 -0.06 2.53 2.96 -1.26 -0.69 118.68 127.56 1oxu s LEU 68 Ca 0.28 0.99 0.21 0.00 -0.22 0.00 0.00 54.13 55.39 1oxu s LEU 68 Cb -0.16 -3.54 -0.30 0.00 0.50 0.00 0.00 46.19 42.69 1oxu s LEU 68 CO 0.11 -1.02 0.42 1.33 -1.32 0.00 0.00 176.35 175.87 1oxu n VAL 69 N 6.17 0.36 -3.51 1.68 0.24 0.59 -4.54 118.33 119.32 1oxu n VAL 69 Ca 0.13 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.34 61.69 1oxu n VAL 69 Cb 0.47 -0.13 -0.05 0.00 -1.47 0.00 0.00 33.84 32.66 1oxu n VAL 69 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1oxu s ALA 70 N -3.27 -1.77 -0.29 2.33 0.00 -1.19 -1.38 121.76 116.19 1oxu s ALA 70 Ca -0.08 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1oxu s ALA 70 Cb 0.12 0.05 0.13 0.00 0.00 0.00 0.00 23.12 23.42 1oxu s ALA 70 CO 0.89 -0.43 0.84 0.45 0.00 0.00 0.00 175.76 177.50 1oxu s SER 71 N -1.46 -0.77 -1.32 0.00 0.15 -0.25 -1.67 113.70 108.38 1oxu s SER 71 Ca -0.07 1.14 -0.23 0.00 0.70 0.00 0.00 55.95 57.49 1oxu s SER 71 Cb -0.00 1.60 0.03 0.00 -1.71 0.00 0.00 66.02 65.94 1oxu s SER 71 CO 0.05 -0.17 0.48 0.59 1.20 0.00 0.00 173.24 175.39 1oxu n ASN 72 N 4.55 -2.54 0.00 5.45 3.02 -0.48 -0.95 115.26 124.31 1oxu n ASN 72 Ca -0.15 -1.27 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1oxu n ASN 72 Cb 0.55 -1.80 0.00 0.00 -0.61 0.00 0.00 39.78 37.92 1oxu n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oxu n GLY 73 N -2.22 1.18 3.45 7.41 0.00 0.55 -4.87 105.19 110.69 1oxu n GLY 73 Ca -0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.50 1oxu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oxu s LYS 74 N -0.48 3.44 -0.34 1.61 0.00 -0.12 -4.99 119.74 118.86 1oxu s LYS 74 Ca 0.00 -0.60 -0.21 0.00 0.00 0.00 0.00 55.97 55.16 1oxu s LYS 74 Cb 0.00 -2.75 0.00 0.00 0.00 0.00 0.00 37.83 35.09 1oxu s LYS 74 CO 0.00 0.27 0.66 -1.17 0.00 0.00 0.00 175.35 175.11 1oxu s LEU 75 N 0.23 4.21 -0.23 2.77 2.96 -1.26 -1.09 118.68 126.27 1oxu s LEU 75 Ca -0.06 0.25 -0.09 0.00 -0.22 0.00 0.00 54.13 54.01 1oxu s LEU 75 Cb -0.15 -2.83 -0.17 0.00 0.50 0.00 0.00 46.19 43.54 1oxu s LEU 75 CO 0.04 -0.59 -0.08 -0.38 -1.32 0.00 0.00 176.35 174.02 1oxu n ILE 76 N 5.57 1.57 -4.09 6.68 5.41 -0.61 -4.87 119.36 129.02 1oxu n ILE 76 Ca -0.01 -0.43 -0.32 0.00 1.00 0.00 0.00 62.75 62.99 1oxu n ILE 76 Cb 0.49 -1.74 -0.15 0.00 -0.71 0.00 0.00 39.64 37.52 1oxu n ILE 76 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 1oxu s VAL 77 N -2.50 2.11 0.88 1.39 1.01 -0.48 -5.02 120.40 117.79 1oxu s VAL 77 Ca -0.33 -1.31 -0.12 0.00 0.00 0.00 0.00 61.98 60.22 1oxu s VAL 77 Cb 0.10 -2.08 0.12 0.00 0.00 0.00 0.00 36.38 34.52 1oxu s VAL 77 CO 0.59 0.23 1.10 -2.16 0.00 0.00 0.00 175.10 174.87 1oxu s PRO 78 N 1.19 1.43 0.25 2.72 0.04 -1.26 -4.85 135.00 134.52 1oxu s PRO 78 Ca -0.03 0.61 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 1oxu s PRO 78 Cb -0.17 -1.85 0.46 0.00 0.04 0.00 0.00 34.50 32.98 1oxu s PRO 78 CO -0.09 -2.07 1.77 -1.35 0.04 0.00 0.00 177.00 175.31 1oxu h PRO 79 N -1.41 0.62 0.00 0.56 0.11 -1.77 -1.39 132.00 128.72 1oxu h PRO 79 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1oxu h PRO 79 Cb 1.29 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1oxu h PRO 79 CO 0.58 0.41 0.00 1.05 -0.21 0.00 0.00 178.00 179.83 1oxu h GLU 80 N 0.64 0.00 -0.52 1.05 9.09 -1.93 -2.27 114.58 120.65 1oxu h GLU 80 Ca 0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.83 1oxu h GLU 80 Cb 0.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.63 1oxu h GLU 80 CO -0.32 0.00 0.00 -0.25 0.05 0.00 0.00 179.01 178.49 1oxu n ASP 81 N -2.80 3.45 -0.45 3.06 10.43 -0.53 -4.56 116.55 125.16 1oxu n ASP 81 Ca -0.01 -1.97 0.11 0.00 2.57 0.00 0.00 54.79 55.48 1oxu n ASP 81 Cb 0.13 -0.34 -0.01 0.00 1.84 0.00 0.00 41.12 42.74 1oxu n ASP 81 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1oxu n ARG 82 N 1.21 1.20 -3.20 -1.24 1.74 -0.85 -4.96 116.66 110.55 1oxu n ARG 82 Ca 0.19 -0.91 -0.14 0.00 -0.77 0.00 0.00 57.85 56.21 1oxu n ARG 82 Cb 0.54 -1.45 0.08 0.00 -1.02 0.00 0.00 32.46 30.60 1oxu n ARG 82 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1oxu n LYS 83 N -0.14 -5.39 -4.39 5.56 5.02 -1.26 -4.83 118.16 112.72 1oxu n LYS 83 Ca 0.09 0.72 -0.29 0.00 -2.02 0.00 0.00 58.31 56.81 1oxu n LYS 83 Cb 0.44 -5.35 -0.13 0.00 -0.02 0.00 0.00 35.03 29.97 1oxu n LYS 83 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1oxu s ILE 84 N -3.31 2.26 -0.04 -0.18 -4.36 -1.26 -1.13 121.20 113.18 1oxu s ILE 84 Ca 0.03 -1.79 0.06 0.00 -0.26 0.00 0.00 60.65 58.69 1oxu s ILE 84 Cb -0.00 -2.01 -0.02 0.00 1.25 0.00 0.00 42.46 41.68 1oxu s ILE 84 CO 0.62 0.07 -0.23 -0.83 0.24 0.00 0.00 174.94 174.81 1oxu s GLY 85 N -2.12 1.34 -0.02 6.27 0.00 0.23 -4.87 107.32 108.15 1oxu s GLY 85 Ca 0.15 -1.06 0.06 0.00 0.00 0.00 0.00 44.72 43.86 1oxu s GLY 85 CO 0.06 -0.76 -0.19 1.06 0.00 0.00 0.00 173.10 173.27 1oxu s MET 86 N -0.42 1.62 -0.34 2.90 -1.94 -1.26 -0.95 119.30 118.90 1oxu s MET 86 Ca 0.04 -0.69 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 1oxu s MET 86 Cb -0.12 -1.54 0.12 0.00 2.01 0.00 0.00 34.83 35.30 1oxu s MET 86 CO 0.01 0.40 0.17 0.08 -0.01 0.00 0.00 175.02 175.68 1oxu s VAL 87 N -0.41 0.38 0.15 -6.03 1.01 -0.48 -4.60 120.40 110.41 1oxu s VAL 87 Ca 0.06 -1.51 0.02 0.00 0.00 0.00 0.00 61.98 60.55 1oxu s VAL 87 Cb -0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1oxu s VAL 87 CO -0.00 -0.85 0.29 -0.36 0.00 0.00 0.00 175.10 174.17 1oxu s PHE 88 N 1.35 3.49 0.31 5.22 0.08 -1.26 -1.76 117.98 125.41 1oxu s PHE 88 Ca 0.14 0.16 0.08 0.00 0.12 0.00 0.00 56.93 57.43 1oxu s PHE 88 Cb -0.20 -1.70 0.89 0.00 -0.57 0.00 0.00 43.02 41.44 1oxu s PHE 88 CO -0.14 0.51 1.66 0.37 -0.10 0.00 0.00 175.22 177.52 1oxu h GLN 89 N 2.23 0.30 0.00 0.44 4.15 -0.56 0.51 115.11 122.18 1oxu h GLN 89 Ca -0.48 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1oxu h GLN 89 Cb 1.19 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1oxu h GLN 89 CO 0.69 0.20 0.00 0.25 -1.93 0.00 0.00 178.83 178.04 1oxu n THR 90 N -5.11 0.03 -1.41 2.39 -2.24 -1.26 -4.92 114.28 101.76 1oxu n THR 90 Ca 0.26 0.01 -0.46 0.00 -2.27 0.00 0.00 64.05 61.59 1oxu n THR 90 Cb 0.82 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 1oxu n THR 90 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 1oxu n TRP 91 N -1.11 -0.56 -3.63 4.78 4.27 0.18 -4.99 117.44 116.37 1oxu n TRP 91 Ca 0.19 0.84 -0.12 0.00 -3.89 0.00 0.00 57.50 54.52 1oxu n TRP 91 Cb 0.15 -1.97 -0.05 0.00 -1.36 0.00 0.00 31.31 28.08 1oxu n TRP 91 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1oxu s ALA 92 N -1.17 -1.04 0.10 -1.67 0.00 -1.26 -5.05 121.76 111.68 1oxu s ALA 92 Ca 0.62 0.19 0.04 0.00 0.00 0.00 0.00 51.96 52.81 1oxu s ALA 92 Cb -0.82 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 1oxu s ALA 92 CO 0.58 -0.56 0.07 -0.51 0.00 0.00 0.00 175.76 175.34 1oxu s LEU 93 N -2.39 3.73 -0.52 0.00 1.43 -1.26 -5.02 118.68 114.65 1oxu s LEU 93 Ca -0.01 -0.07 -0.26 0.00 -1.03 0.00 0.00 54.13 52.75 1oxu s LEU 93 Cb 0.00 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 1oxu s LEU 93 CO -0.07 0.15 2.18 -0.31 0.23 0.00 0.00 176.35 178.53 1oxu s TYR 94 N -1.45 1.32 0.54 0.29 1.51 -1.26 -4.78 117.35 113.52 1oxu s TYR 94 Ca 0.29 1.21 0.36 0.00 -1.01 0.00 0.00 57.07 57.92 1oxu s TYR 94 Cb -0.12 -3.80 1.55 0.00 -0.11 0.00 0.00 41.96 39.48 1oxu s TYR 94 CO 0.21 -2.52 1.80 -1.35 -1.11 0.00 0.00 175.55 172.59 1oxu h PRO 95 N 17.47 0.01 -0.45 -1.71 0.11 -1.99 0.89 132.00 146.34 1oxu h PRO 95 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1oxu h PRO 95 Cb 1.22 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1oxu h PRO 95 CO 1.17 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 179.24 1oxu n ASN 96 N -4.19 3.41 -4.52 -2.05 2.04 -1.26 -4.58 115.26 104.11 1oxu n ASN 96 Ca 0.26 -1.98 -0.34 0.00 -0.44 0.00 0.00 54.58 52.08 1oxu n ASN 96 Cb 1.25 -0.29 -0.12 0.00 -2.53 0.00 0.00 39.78 38.08 1oxu n ASN 96 CO 0.00 0.00 0.00 -0.76 -0.44 0.00 0.00 177.26 176.06 1oxu s LEU 97 N -1.38 3.05 1.20 -4.53 1.43 0.31 -5.12 118.68 113.64 1oxu s LEU 97 Ca 0.40 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.22 1oxu s LEU 97 Cb 0.23 -1.67 0.29 0.00 0.03 0.00 0.00 46.19 45.06 1oxu s LEU 97 CO 0.31 0.29 1.04 0.42 0.23 0.00 0.00 176.35 178.65 1oxu s THR 98 N -0.41 1.71 0.17 5.49 -4.23 -1.26 -4.40 115.64 112.71 1oxu s THR 98 Ca 0.06 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.43 1oxu s THR 98 Cb -0.12 -2.27 0.07 0.00 1.34 0.00 0.00 72.50 71.51 1oxu s THR 98 CO 0.02 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 175.94 1oxu h ALA 99 N -2.66 0.67 -0.16 3.99 0.00 -0.74 0.76 119.26 121.12 1oxu h ALA 99 Ca -0.52 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.39 1oxu h ALA 99 Cb 1.33 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.88 1oxu h ALA 99 CO 0.43 0.11 -0.04 0.35 0.00 0.00 0.00 179.25 180.10 1oxu h PHE 100 N 0.71 -0.08 -0.51 0.00 3.57 -1.26 -1.15 116.94 118.23 1oxu h PHE 100 Ca 0.20 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.65 1oxu h PHE 100 Cb -0.08 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.70 1oxu h PHE 100 CO -0.04 -0.06 0.07 0.93 -2.23 0.00 0.00 178.31 176.98 1oxu h GLU 101 N 0.00 0.81 -0.56 1.11 5.08 -1.76 -0.65 114.58 118.62 1oxu h GLU 101 Ca 0.08 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1oxu h GLU 101 Cb 0.11 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 1oxu h GLU 101 CO -0.16 0.77 0.30 -0.91 -1.00 0.00 0.00 179.01 178.01 1oxu h ASN 102 N 0.77 0.71 0.63 1.42 2.35 -0.41 -1.92 115.58 119.12 1oxu h ASN 102 Ca 0.16 -0.10 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 1oxu h ASN 102 Cb 0.37 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1oxu h ASN 102 CO 0.01 0.61 -0.67 0.40 -1.65 0.00 0.00 177.43 176.13 1oxu h ILE 103 N 0.75 1.47 0.00 2.81 2.04 -0.86 -3.22 117.51 120.50 1oxu h ILE 103 Ca 0.20 -2.25 -0.00 0.00 1.00 0.00 0.00 64.86 63.80 1oxu h ILE 103 Cb 0.06 2.21 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1oxu h ILE 103 CO -0.03 0.65 -0.14 0.00 0.00 0.00 0.00 178.15 178.62 1oxu h ALA 104 N 1.31 0.93 -0.67 1.87 0.00 -0.95 -3.39 119.26 118.35 1oxu h ALA 104 Ca -0.01 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1oxu h ALA 104 Cb 1.18 -0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.85 1oxu h ALA 104 CO 0.09 0.00 -0.37 0.35 0.00 0.00 0.00 179.25 179.32 1oxu h PHE 105 N 0.00 -1.06 0.00 0.00 3.57 -1.36 0.43 116.94 118.51 1oxu h PHE 105 Ca -0.00 0.08 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1oxu h PHE 105 Cb 1.00 0.56 0.00 0.00 2.79 0.00 0.00 35.95 40.30 1oxu h PHE 105 CO 0.00 -0.40 0.00 -2.30 -2.23 0.00 0.00 178.31 173.38 1oxu n PRO 106 N -5.43 0.11 -0.00 6.41 -0.02 -1.26 -1.57 135.00 133.24 1oxu n PRO 106 Ca 0.05 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 1oxu n PRO 106 Cb 0.36 -1.85 0.34 0.00 -0.02 0.00 0.00 33.50 32.33 1oxu n PRO 106 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1oxu n LEU 107 N -2.08 2.17 -0.25 2.45 4.77 0.14 -4.52 117.00 119.68 1oxu n LEU 107 Ca -0.01 -0.72 0.06 0.00 -0.03 0.00 0.00 56.01 55.30 1oxu n LEU 107 Cb 0.04 -0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.31 1oxu n LEU 107 CO 0.08 0.36 0.97 0.71 -1.33 0.00 0.00 177.39 178.18 1oxu h THR 108 N 3.41 0.57 -0.74 -5.08 1.35 -1.31 -2.37 112.91 108.74 1oxu h THR 108 Ca 0.00 -0.12 -0.51 0.00 -0.55 0.00 0.00 66.41 65.23 1oxu h THR 108 Cb 0.72 0.20 -0.34 0.00 -1.73 0.00 0.00 68.15 67.01 1oxu h THR 108 CO 0.00 0.06 -0.28 0.59 -0.25 0.00 0.00 175.52 175.65 1oxu n ASN 109 N -5.09 5.18 -1.36 5.36 3.02 -1.26 -4.64 115.26 116.47 1oxu n ASN 109 Ca 0.14 -3.77 0.10 0.00 -0.03 0.00 0.00 54.58 51.02 1oxu n ASN 109 Cb 0.45 -0.55 0.32 0.00 -0.61 0.00 0.00 39.78 39.38 1oxu n ASN 109 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1oxu n MET 110 N -0.84 3.19 -3.26 3.52 2.81 -0.89 -4.95 117.12 116.71 1oxu n MET 110 Ca 0.47 -2.70 -0.20 0.00 -1.81 0.00 0.00 57.70 53.45 1oxu n MET 110 Cb 0.90 -1.68 0.06 0.00 -0.71 0.00 0.00 33.22 31.78 1oxu n MET 110 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1oxu n LYS 111 N 1.23 -5.96 -4.75 0.03 5.02 -1.26 -5.01 118.16 107.46 1oxu n LYS 111 Ca 0.24 0.74 -0.33 0.00 -2.02 0.00 0.00 58.31 56.93 1oxu n LYS 111 Cb 0.72 -5.41 -0.12 0.00 -0.02 0.00 0.00 35.03 30.21 1oxu n LYS 111 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 1oxu s MET 112 N -5.92 2.67 0.90 1.97 -1.94 -1.26 -5.12 119.30 110.59 1oxu s MET 112 Ca 0.42 -0.62 -0.12 0.00 -1.71 0.00 0.00 55.69 53.66 1oxu s MET 112 Cb -0.19 -2.50 0.13 0.00 2.01 0.00 0.00 34.83 34.29 1oxu s MET 112 CO 0.52 0.62 1.11 -1.54 -0.01 0.00 0.00 175.02 175.73 1oxu s SER 113 N -0.72 3.55 0.28 3.03 1.04 -1.26 -4.75 113.70 114.87 1oxu s SER 113 Ca 0.11 1.16 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1oxu s SER 113 Cb -0.11 -1.81 0.51 0.00 0.10 0.00 0.00 66.02 64.71 1oxu s SER 113 CO 0.01 -2.55 1.85 0.50 0.98 0.00 0.00 173.24 174.03 1oxu h LYS 114 N -1.49 1.01 -0.39 4.02 3.64 -2.00 -0.22 116.57 121.15 1oxu h LYS 114 Ca -0.50 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 58.67 1oxu h LYS 114 Cb 1.31 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 1oxu h LYS 114 CO 0.59 0.67 -0.33 0.93 -2.27 0.00 0.00 179.45 179.04 1oxu h GLU 115 N 1.05 0.91 -0.71 1.90 5.08 -1.99 -1.09 114.58 119.72 1oxu h GLU 115 Ca 0.48 -0.46 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1oxu h GLU 115 Cb 0.39 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 1oxu h GLU 115 CO -0.24 1.11 0.21 0.93 -1.00 0.00 0.00 179.01 180.02 1oxu h GLU 116 N 0.72 1.11 -0.04 2.33 5.08 -1.70 -1.67 114.58 120.41 1oxu h GLU 116 Ca 0.07 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1oxu h GLU 116 Cb 0.92 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1oxu h GLU 116 CO 0.09 0.95 0.02 0.82 -1.00 0.00 0.00 179.01 179.88 1oxu h ILE 117 N 1.06 1.15 -0.49 3.13 2.04 -0.92 -2.40 117.51 121.08 1oxu h ILE 117 Ca 0.23 -0.44 0.06 0.00 1.00 0.00 0.00 64.86 65.71 1oxu h ILE 117 Cb 0.32 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.71 1oxu h ILE 117 CO -0.01 0.12 0.20 -0.09 0.00 0.00 0.00 178.15 178.37 1oxu h ARG 118 N -0.10 0.38 -0.42 2.37 2.43 -0.96 -1.06 114.38 117.02 1oxu h ARG 118 Ca 0.01 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1oxu h ARG 118 Cb 0.18 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1oxu h ARG 118 CO -0.00 0.25 0.22 0.87 -1.51 0.00 0.00 179.97 179.80 1oxu h LYS 119 N 0.39 0.58 -0.52 0.20 1.57 -1.25 -0.77 116.57 116.77 1oxu h LYS 119 Ca 0.23 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1oxu h LYS 119 Cb 0.22 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1oxu h LYS 119 CO -0.22 0.47 0.21 -0.09 -0.57 0.00 0.00 179.45 179.26 1oxu h ARG 120 N 0.54 0.78 -0.16 3.15 9.65 -1.04 -0.94 114.38 126.36 1oxu h ARG 120 Ca 0.15 -0.14 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1oxu h ARG 120 Cb 0.06 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.51 1oxu h ARG 120 CO -0.02 0.68 0.08 0.28 2.80 0.00 0.00 179.97 183.79 1oxu h VAL 121 N 0.70 1.12 -0.24 0.20 2.07 -0.94 -2.00 116.25 117.16 1oxu h VAL 121 Ca 0.17 -0.33 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1oxu h VAL 121 Cb 0.19 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 1oxu h VAL 121 CO -0.01 0.11 -0.16 -0.33 0.02 0.00 0.00 177.57 177.19 1oxu h GLU 122 N 0.14 0.41 -0.37 1.57 5.08 -1.03 -0.90 114.58 119.48 1oxu h GLU 122 Ca 0.06 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1oxu h GLU 122 Cb 0.10 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1oxu h GLU 122 CO -0.01 0.57 0.09 1.49 -1.00 0.00 0.00 179.01 180.15 1oxu h GLU 123 N 0.38 0.59 -0.38 2.33 4.81 -1.01 -1.67 114.58 119.62 1oxu h GLU 123 Ca 0.07 -0.14 -0.12 0.00 -0.13 0.00 0.00 59.36 59.04 1oxu h GLU 123 Cb 0.51 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1oxu h GLU 123 CO 0.03 0.63 -0.23 0.28 -0.73 0.00 0.00 179.01 178.99 1oxu h VAL 124 N 0.45 1.28 -0.83 0.32 2.07 -1.05 -2.77 116.25 115.73 1oxu h VAL 124 Ca 0.12 -1.37 0.02 0.00 0.82 0.00 0.00 66.70 66.29 1oxu h VAL 124 Cb 0.30 1.34 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 1oxu h VAL 124 CO 0.00 0.46 0.54 0.00 0.02 0.00 0.00 177.57 178.59 1oxu h ALA 125 N 0.79 1.08 -0.59 1.67 0.00 -1.08 -1.06 119.26 120.07 1oxu h ALA 125 Ca 0.08 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 1oxu h ALA 125 Cb 0.79 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1oxu h ALA 125 CO 0.06 0.39 0.17 0.87 0.00 0.00 0.00 179.25 180.75 1oxu h LYS 126 N 1.07 0.92 -0.53 0.00 1.57 -1.28 0.11 116.57 118.42 1oxu h LYS 126 Ca 0.32 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.92 1oxu h LYS 126 Cb -0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1oxu h LYS 126 CO -0.10 0.83 0.32 0.82 -0.57 0.00 0.00 179.45 180.76 1oxu h ILE 127 N 0.83 1.06 -0.18 1.86 2.04 -1.10 -1.81 117.51 120.21 1oxu h ILE 127 Ca 0.19 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1oxu h ILE 127 Cb 0.30 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1oxu h ILE 127 CO -0.00 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.44 1oxu n LEU 128 N -4.78 1.04 -3.91 1.44 7.99 -0.46 -4.92 117.00 113.40 1oxu n LEU 128 Ca 0.04 -0.50 -0.29 0.00 -0.01 0.00 0.00 56.01 55.25 1oxu n LEU 128 Cb 0.07 -0.12 0.02 0.00 -0.11 0.00 0.00 43.42 43.29 1oxu n LEU 128 CO 0.32 0.25 0.03 -0.67 -1.51 0.00 0.00 177.39 175.82 1oxu n ASP 129 N 0.03 -3.51 -0.07 -1.43 2.03 -0.05 -4.86 116.55 108.69 1oxu n ASP 129 Ca 0.09 -0.83 0.03 0.00 0.52 0.00 0.00 54.79 54.60 1oxu n ASP 129 Cb 0.18 -3.74 0.04 0.00 -0.72 0.00 0.00 41.12 36.89 1oxu n ASP 129 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1oxu n ILE 130 N -4.55 1.05 0.01 5.18 -5.35 0.18 -4.81 119.36 111.07 1oxu n ILE 130 Ca -0.06 -1.17 0.13 0.00 -0.27 0.00 0.00 62.75 61.38 1oxu n ILE 130 Cb 0.57 0.33 0.57 0.00 -1.74 0.00 0.00 39.64 39.37 1oxu n ILE 130 CO 0.00 0.00 0.00 -0.74 -1.76 0.00 0.00 176.55 174.05 1oxu h HIS 131 N 0.00 0.25 -0.00 4.28 2.76 -1.84 -1.96 115.15 118.64 1oxu h HIS 131 Ca 0.00 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.18 1oxu h HIS 131 Cb 0.82 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.69 1oxu h HIS 131 CO 0.01 0.13 -0.02 -2.39 -1.30 0.00 0.00 177.93 174.36 1oxu n HIS 132 N -4.46 0.00 -1.15 5.26 1.44 -1.26 -3.38 115.22 111.67 1oxu n HIS 132 Ca 0.07 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.86 1oxu n HIS 132 Cb 0.35 -0.07 0.11 0.00 0.12 0.00 0.00 29.99 30.50 1oxu n HIS 132 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 1oxu n VAL 133 N -0.83 1.57 0.23 0.61 0.24 -0.74 -4.78 118.33 114.62 1oxu n VAL 133 Ca 0.20 -1.88 0.18 0.00 -2.04 0.00 0.00 64.34 60.80 1oxu n VAL 133 Cb 0.20 -0.09 0.86 0.00 -1.47 0.00 0.00 33.84 33.34 1oxu n VAL 133 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1oxu h LEU 134 N 0.00 0.00 -2.21 1.34 3.38 -1.56 -0.94 115.31 115.32 1oxu h LEU 134 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1oxu h LEU 134 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1oxu h LEU 134 CO 0.00 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.12 1oxu n ASN 135 N -3.53 3.26 -4.88 -0.43 3.02 -1.26 -0.81 115.26 110.63 1oxu n ASN 135 Ca 0.01 -1.97 -0.30 0.00 -0.03 0.00 0.00 54.58 52.30 1oxu n ASN 135 Cb 0.35 -0.32 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 1oxu n ASN 135 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 1oxu s HIS 136 N -1.36 3.47 0.32 3.10 3.76 -0.36 -4.80 115.29 119.43 1oxu s HIS 136 Ca 0.40 0.92 -0.06 0.00 -0.15 0.00 0.00 55.06 56.17 1oxu s HIS 136 Cb 0.22 -2.34 -0.05 0.00 1.11 0.00 0.00 32.58 31.51 1oxu s HIS 136 CO 0.30 -0.02 0.61 -0.06 -0.85 0.00 0.00 174.74 174.72 1oxu s PHE 137 N -2.28 3.48 0.29 1.40 0.40 -1.26 -0.58 117.98 119.43 1oxu s PHE 137 Ca 0.49 0.75 0.04 0.00 -0.60 0.00 0.00 56.93 57.61 1oxu s PHE 137 Cb -0.10 -2.20 0.74 0.00 0.51 0.00 0.00 43.02 41.97 1oxu s PHE 137 CO 0.31 0.09 1.69 -1.35 0.70 0.00 0.00 175.22 176.66 1oxu h PRO 138 N 1.55 0.37 0.00 0.24 0.11 -1.81 0.45 132.00 132.92 1oxu h PRO 138 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1oxu h PRO 138 Cb 1.19 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1oxu h PRO 138 CO 0.65 0.25 0.00 2.89 -0.21 0.00 0.00 178.00 181.58 1oxu n ARG 139 N -5.06 0.01 -0.17 1.05 1.85 -1.26 -1.89 116.66 111.19 1oxu n ARG 139 Ca 0.22 0.28 0.12 0.00 -1.00 0.00 0.00 57.85 57.47 1oxu n ARG 139 Cb 0.67 -1.51 0.24 0.00 -1.05 0.00 0.00 32.46 30.80 1oxu n ARG 139 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1oxu n GLU 140 N -1.53 2.38 -4.18 2.89 1.02 0.16 -4.93 120.64 116.45 1oxu n GLU 140 Ca 0.03 -2.09 -0.27 0.00 -0.02 0.00 0.00 57.16 54.81 1oxu n GLU 140 Cb 0.15 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.00 1oxu n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1oxu s LEU 141 N -1.51 3.36 0.94 -4.62 1.43 -0.79 -4.91 118.68 112.58 1oxu s LEU 141 Ca 0.37 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1oxu s LEU 141 Cb 0.22 -2.03 0.15 0.00 0.03 0.00 0.00 46.19 44.56 1oxu s LEU 141 CO 0.31 0.11 1.09 -0.94 0.23 0.00 0.00 176.35 177.15 1oxu s SER 142 N -2.78 3.15 0.43 2.29 1.04 -1.26 -4.79 113.70 111.79 1oxu s SER 142 Ca 0.27 1.35 0.13 0.00 0.48 0.00 0.00 55.95 58.18 1oxu s SER 142 Cb -0.10 -2.03 1.02 0.00 0.10 0.00 0.00 66.02 65.01 1oxu s SER 142 CO 0.18 -2.82 2.00 1.23 0.98 0.00 0.00 173.24 174.81 1oxu h GLY 143 N -1.68 0.55 1.81 7.32 0.00 -1.99 -1.61 103.07 107.46 1oxu h GLY 143 Ca -0.51 -0.17 -0.23 0.00 0.00 0.00 0.00 47.33 46.42 1oxu h GLY 143 CO 0.56 0.11 -1.13 -1.33 0.00 0.00 0.00 176.54 174.75 1oxu h GLY 144 N 0.41 0.03 1.39 4.60 0.00 -1.97 -2.97 103.07 104.55 1oxu h GLY 144 Ca 0.25 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.38 1oxu h GLY 144 CO -0.07 0.06 -0.36 1.46 0.00 0.00 0.00 176.54 177.64 1oxu h GLN 145 N 0.01 0.68 -0.60 4.80 4.20 -1.76 -1.64 115.11 120.80 1oxu h GLN 145 Ca -0.06 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 1oxu h GLN 145 Cb 1.82 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.57 1oxu h GLN 145 CO 0.13 0.93 0.31 1.96 -0.67 0.00 0.00 178.83 181.49 1oxu h GLN 146 N 0.57 0.85 -0.29 1.46 4.20 -1.35 -0.57 115.11 119.98 1oxu h GLN 146 Ca 0.06 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.67 1oxu h GLN 146 Cb 0.87 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 1oxu h GLN 146 CO 0.08 0.67 0.15 1.96 -0.67 0.00 0.00 178.83 181.01 1oxu h GLN 147 N 0.82 0.30 -0.50 1.46 4.20 -1.33 -0.62 115.11 119.43 1oxu h GLN 147 Ca 0.21 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1oxu h GLN 147 Cb 0.08 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1oxu h GLN 147 CO -0.03 0.20 0.28 0.00 -0.67 0.00 0.00 178.83 178.60 1oxu h ARG 148 N 0.31 0.68 -0.28 1.46 3.08 -0.85 -0.43 114.38 118.35 1oxu h ARG 148 Ca 0.12 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 59.92 1oxu h ARG 148 Cb 0.04 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1oxu h ARG 148 CO -0.08 0.50 -0.56 0.28 -1.07 0.00 0.00 179.97 179.04 1oxu h VAL 149 N 0.69 1.28 -0.90 2.04 2.07 -0.56 0.44 116.25 121.31 1oxu h VAL 149 Ca 0.18 -1.74 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 1oxu h VAL 149 Cb 0.01 1.65 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 1oxu h VAL 149 CO -0.03 0.57 0.50 0.00 0.02 0.00 0.00 177.57 178.62 1oxu h ALA 150 N 0.70 1.17 -0.26 1.67 0.00 -0.55 -0.94 119.26 121.05 1oxu h ALA 150 Ca 0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1oxu h ALA 150 Cb 1.17 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1oxu h ALA 150 CO 0.12 0.67 -0.09 -0.07 0.00 0.00 0.00 179.25 179.88 1oxu h LEU 151 N 1.26 0.53 -0.90 0.00 3.38 -0.92 -1.97 115.31 116.70 1oxu h LEU 151 Ca 0.32 -0.38 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1oxu h LEU 151 Cb 0.02 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 1oxu h LEU 151 CO -0.05 0.79 0.55 0.00 0.09 0.00 0.00 178.44 179.82 1oxu h ALA 152 N 0.75 1.27 -0.44 1.53 0.00 -0.64 -1.21 119.26 120.53 1oxu h ALA 152 Ca 0.06 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1oxu h ALA 152 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1oxu h ALA 152 CO 0.03 0.24 0.18 -0.09 0.00 0.00 0.00 179.25 179.61 1oxu h ARG 153 N 0.95 0.66 0.00 0.00 2.43 -1.02 -1.79 114.38 115.61 1oxu h ARG 153 Ca 0.41 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.45 1oxu h ARG 153 Cb 0.29 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1oxu h ARG 153 CO -0.21 0.60 -0.07 0.00 -1.51 0.00 0.00 179.97 178.78 1oxu h ALA 154 N 1.02 1.14 -0.07 2.80 0.00 -0.56 -3.10 119.26 120.50 1oxu h ALA 154 Ca 0.15 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1oxu h ALA 154 Cb 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1oxu h ALA 154 CO -0.01 0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1oxu n LEU 155 N -3.38 2.54 0.22 0.00 4.77 -0.53 -4.05 117.00 116.57 1oxu n LEU 155 Ca -0.01 -1.09 0.07 0.00 -0.03 0.00 0.00 56.01 54.94 1oxu n LEU 155 Cb 0.23 -0.03 0.49 0.00 -2.33 0.00 0.00 43.42 41.77 1oxu n LEU 155 CO 0.27 0.47 0.81 1.62 -1.33 0.00 0.00 177.39 179.24 1oxu h VAL 156 N 3.39 0.94 -0.50 4.08 3.04 -1.26 -2.08 116.25 123.87 1oxu h VAL 156 Ca 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 66.70 64.67 1oxu h VAL 156 Cb 0.74 1.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.61 1oxu h VAL 156 CO 0.00 0.27 0.00 0.29 -1.01 0.00 0.00 177.57 177.12 1oxu n LYS 157 N -3.85 2.71 -3.38 4.17 5.02 -1.26 -4.96 118.16 116.61 1oxu n LYS 157 Ca -0.02 -2.02 -0.20 0.00 -2.02 0.00 0.00 58.31 54.05 1oxu n LYS 157 Cb 0.36 -1.61 0.06 0.00 -0.02 0.00 0.00 35.03 33.82 1oxu n LYS 157 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1oxu n ASP 158 N 0.87 -6.29 -4.80 4.39 4.64 -0.78 -4.97 116.55 109.61 1oxu n ASP 158 Ca 0.18 -0.78 -0.31 0.00 -1.38 0.00 0.00 54.79 52.51 1oxu n ASP 158 Cb 0.60 -4.61 0.07 0.00 -1.04 0.00 0.00 41.12 36.13 1oxu n ASP 158 CO 0.00 0.00 0.00 -2.16 -0.82 0.00 0.00 177.20 174.22 1oxu s PRO 159 N -4.83 2.68 0.02 -0.67 0.04 -1.26 -4.96 135.00 126.02 1oxu s PRO 159 Ca 0.44 1.00 0.22 0.00 0.04 0.00 0.00 61.00 62.71 1oxu s PRO 159 Cb -0.09 -1.96 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 1oxu s PRO 159 CO 0.78 -1.30 0.92 0.43 0.04 0.00 0.00 177.00 177.87 1oxu n SER 160 N -3.27 0.60 -3.85 6.66 7.64 -0.28 -4.88 113.62 116.24 1oxu n SER 160 Ca 0.08 -0.36 -0.18 0.00 1.01 0.00 0.00 58.87 59.42 1oxu n SER 160 Cb 0.53 1.01 -0.16 0.00 -1.01 0.00 0.00 64.21 64.59 1oxu n SER 160 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1oxu s LEU 161 N -3.78 1.29 -0.15 -3.43 2.96 -1.03 -1.05 118.68 113.48 1oxu s LEU 161 Ca 0.03 -0.06 -0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1oxu s LEU 161 Cb 0.15 -0.28 -0.01 0.00 0.50 0.00 0.00 46.19 46.55 1oxu s LEU 161 CO 0.83 -0.07 -0.13 -0.22 -1.32 0.00 0.00 176.35 175.44 1oxu s LEU 162 N 0.89 2.61 -0.17 -0.68 2.96 -0.09 -0.60 118.68 123.60 1oxu s LEU 162 Ca -0.10 -0.41 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1oxu s LEU 162 Cb -0.13 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1oxu s LEU 162 CO -0.01 0.10 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.26 1oxu s LEU 163 N 0.74 2.77 -0.14 -0.68 1.43 -0.13 -1.16 118.68 121.50 1oxu s LEU 163 Ca -0.06 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1oxu s LEU 163 Cb -0.15 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1oxu s LEU 163 CO 0.01 0.08 -0.12 -0.76 0.23 0.00 0.00 176.35 175.79 1oxu s LEU 164 N 0.87 1.61 -0.40 1.79 1.43 -0.16 -1.39 118.68 122.43 1oxu s LEU 164 Ca -0.03 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 1oxu s LEU 164 Cb -0.15 -1.10 0.10 0.00 0.03 0.00 0.00 46.19 45.08 1oxu s LEU 164 CO 0.00 -0.08 0.20 -0.62 0.23 0.00 0.00 176.35 176.08 1oxu s ASP 165 N 1.54 5.28 -1.15 2.29 -1.08 -0.72 -1.46 116.67 121.36 1oxu s ASP 165 Ca 0.04 -1.91 -0.29 0.00 -0.52 0.00 0.00 52.55 49.87 1oxu s ASP 165 Cb -0.13 -1.84 0.04 0.00 -1.46 0.00 0.00 42.92 39.53 1oxu s ASP 165 CO -0.10 -0.53 0.67 -0.62 0.52 0.00 0.00 175.17 175.12 1oxu n GLU 166 N 4.64 -0.47 0.12 4.34 1.02 -0.46 0.03 120.64 129.87 1oxu n GLU 166 Ca -0.04 0.19 0.13 0.00 -0.02 0.00 0.00 57.16 57.42 1oxu n GLU 166 Cb 0.42 -2.51 0.41 0.00 -0.02 0.00 0.00 31.44 29.73 1oxu n GLU 166 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1oxu h PRO 167 N -2.25 0.00 -1.00 3.49 0.13 -1.85 -3.33 132.00 127.20 1oxu h PRO 167 Ca -0.70 0.00 -0.65 0.00 -0.87 0.00 0.00 66.00 63.77 1oxu h PRO 167 Cb 1.40 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.21 1oxu h PRO 167 CO 0.49 0.00 0.48 1.19 -0.23 0.00 0.00 178.00 179.93 1oxu n PHE 168 N -2.34 3.12 -0.01 1.56 0.99 -1.26 -4.60 117.46 114.93 1oxu n PHE 168 Ca 0.05 -2.82 -0.18 0.00 -0.00 0.00 0.00 57.45 54.49 1oxu n PHE 168 Cb 0.41 -1.17 -0.14 0.00 -1.00 0.00 0.00 39.48 37.57 1oxu n PHE 168 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.76 175.63 1oxu n SER 169 N -0.85 1.82 0.10 4.37 3.41 -1.25 -4.05 113.62 117.17 1oxu n SER 169 Ca 0.58 0.24 0.12 0.00 -0.26 0.00 0.00 58.87 59.54 1oxu n SER 169 Cb 0.71 -0.65 0.46 0.00 -0.26 0.00 0.00 64.21 64.46 1oxu n SER 169 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oxu n ASN 170 N -3.37 0.58 -4.92 4.04 3.02 -1.26 -4.81 115.26 108.54 1oxu n ASN 170 Ca -0.29 0.61 -0.26 0.00 -0.03 0.00 0.00 54.58 54.61 1oxu n ASN 170 Cb 1.05 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 39.46 1oxu n ASN 170 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1oxu s LEU 171 N -4.22 3.86 0.54 3.41 1.02 -1.26 -5.10 118.68 116.94 1oxu s LEU 171 Ca 0.07 0.72 -0.05 0.00 0.02 0.00 0.00 54.13 54.89 1oxu s LEU 171 Cb 0.11 -3.61 -0.01 0.00 0.02 0.00 0.00 46.19 42.70 1oxu s LEU 171 CO 0.43 -0.40 0.84 -1.81 0.02 0.00 0.00 176.35 175.44 1oxu s ASP 172 N -3.88 5.80 0.24 2.29 1.01 -1.26 -4.89 116.67 115.99 1oxu s ASP 172 Ca 0.44 0.72 -0.04 0.00 0.71 0.00 0.00 52.55 54.38 1oxu s ASP 172 Cb -0.10 -1.83 0.46 0.00 1.01 0.00 0.00 42.92 42.45 1oxu s ASP 172 CO 0.38 -0.89 1.71 0.00 0.21 0.00 0.00 175.17 176.59 1oxu h ALA 173 N -0.00 1.02 -0.58 5.23 0.00 -1.98 -1.32 119.26 121.63 1oxu h ALA 173 Ca -0.46 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1oxu h ALA 173 Cb 1.24 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.14 1oxu h ALA 173 CO 0.60 -0.26 0.24 0.07 0.00 0.00 0.00 179.25 179.90 1oxu h ARG 174 N 0.38 0.86 0.00 0.00 0.11 -2.04 -2.55 114.38 111.14 1oxu h ARG 174 Ca 0.41 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 60.34 1oxu h ARG 174 Cb 0.65 -0.14 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1oxu h ARG 174 CO -0.44 0.73 0.00 -1.33 0.10 0.00 0.00 179.97 179.04 1oxu n MET 175 N -4.49 0.22 -0.13 0.08 2.81 -0.68 -3.71 117.12 111.21 1oxu n MET 175 Ca 0.03 0.31 -0.12 0.00 -1.81 0.00 0.00 57.70 56.12 1oxu n MET 175 Cb 0.16 -1.83 -0.02 0.00 -0.71 0.00 0.00 33.22 30.82 1oxu n MET 175 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1oxu h ARG 176 N 0.00 0.83 -0.23 0.03 3.08 -0.83 -1.84 114.38 115.42 1oxu h ARG 176 Ca 0.00 -0.37 0.04 0.00 0.07 0.00 0.00 59.98 59.73 1oxu h ARG 176 Cb 0.54 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.52 1oxu h ARG 176 CO 0.00 1.00 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.42 1oxu h ASP 177 N 0.64 -0.17 -0.31 7.04 3.45 -1.67 -0.62 116.42 124.77 1oxu h ASP 177 Ca 0.09 0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.66 1oxu h ASP 177 Cb 0.75 0.12 -0.05 0.00 -0.56 0.00 0.00 39.33 39.60 1oxu h ASP 177 CO 0.06 -0.05 0.03 0.28 -1.57 0.00 0.00 179.24 177.98 1oxu h SER 178 N 0.03 -0.06 -0.85 6.45 0.02 -1.69 -0.11 113.55 117.34 1oxu h SER 178 Ca 0.11 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 1oxu h SER 178 Cb 0.16 0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1oxu h SER 178 CO -0.22 0.00 0.50 0.00 -1.14 0.00 0.00 176.83 175.97 1oxu h ALA 179 N 1.25 1.26 -0.19 3.77 0.00 -1.01 -1.15 119.26 123.19 1oxu h ALA 179 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1oxu h ALA 179 Cb 0.19 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1oxu h ALA 179 CO -0.23 0.62 -0.03 0.00 0.00 0.00 0.00 179.25 179.62 1oxu h ARG 180 N 1.19 0.36 -0.69 0.00 3.08 -0.50 -2.20 114.38 115.61 1oxu h ARG 180 Ca 0.31 -0.13 0.05 0.00 0.07 0.00 0.00 59.98 60.28 1oxu h ARG 180 Cb -0.02 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 1oxu h ARG 180 CO -0.05 0.59 0.40 0.00 -1.07 0.00 0.00 179.97 179.84 1oxu h ALA 181 N 0.75 0.93 -0.64 0.04 0.00 -0.75 -1.82 119.26 117.78 1oxu h ALA 181 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1oxu h ALA 181 Cb 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1oxu h ALA 181 CO 0.01 0.10 0.28 1.25 0.00 0.00 0.00 179.25 180.89 1oxu h LEU 182 N 0.75 0.86 -0.49 0.00 5.85 -1.09 0.27 115.31 121.46 1oxu h LEU 182 Ca 0.30 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.90 1oxu h LEU 182 Cb 0.16 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 1oxu h LEU 182 CO -0.17 0.78 0.28 0.58 -0.34 0.00 0.00 178.44 179.57 1oxu h VAL 183 N 0.89 1.02 -0.38 1.05 2.07 -0.99 0.27 116.25 120.18 1oxu h VAL 183 Ca 0.22 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1oxu h VAL 183 Cb 0.17 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.34 1oxu h VAL 183 CO -0.02 0.10 0.25 0.50 0.02 0.00 0.00 177.57 178.42 1oxu h LYS 184 N 0.55 0.50 -0.24 1.57 3.64 -0.86 0.06 116.57 121.78 1oxu h LYS 184 Ca 0.21 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1oxu h LYS 184 Cb 0.06 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1oxu h LYS 184 CO -0.11 0.33 0.09 1.49 -2.27 0.00 0.00 179.45 178.98 1oxu h GLU 185 N 0.51 0.37 -0.57 1.90 4.81 -0.39 -1.42 114.58 119.79 1oxu h GLU 185 Ca 0.14 -0.07 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1oxu h GLU 185 Cb -0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1oxu h GLU 185 CO -0.03 0.42 0.10 0.28 -0.73 0.00 0.00 179.01 179.05 1oxu h VAL 186 N 0.23 1.24 -0.53 0.32 2.07 -0.29 -1.62 116.25 117.67 1oxu h VAL 186 Ca 0.08 -0.91 -0.06 0.00 0.82 0.00 0.00 66.70 66.63 1oxu h VAL 186 Cb 0.20 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1oxu h VAL 186 CO -0.01 0.34 0.10 -0.61 0.02 0.00 0.00 177.57 177.42 1oxu h GLN 187 N 0.85 0.86 -0.56 1.57 -0.00 -0.79 -1.91 115.11 115.14 1oxu h GLN 187 Ca 0.18 -0.22 -0.09 0.00 -0.00 0.00 0.00 58.65 58.51 1oxu h GLN 187 Cb 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 27.48 27.72 1oxu h GLN 187 CO 0.01 0.83 -0.02 0.77 0.00 0.00 0.00 178.83 180.42 1oxu h SER 188 N 0.75 0.96 -0.50 -0.69 0.02 -1.00 0.20 113.55 113.29 1oxu h SER 188 Ca 0.16 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1oxu h SER 188 Cb 0.37 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1oxu h SER 188 CO 0.01 1.02 0.10 -0.09 -1.14 0.00 0.00 176.83 176.73 1oxu h ARG 189 N 0.90 0.81 0.00 3.45 2.43 -1.13 -3.30 114.38 117.54 1oxu h ARG 189 Ca 0.16 -0.21 -0.13 0.00 -0.81 0.00 0.00 59.98 58.99 1oxu h ARG 189 Cb 0.55 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1oxu h ARG 189 CO 0.03 0.80 -1.54 1.28 -1.51 0.00 0.00 179.97 179.03 1oxu n LEU 190 N -4.43 0.63 -0.29 3.80 4.77 -0.73 -4.99 117.00 115.75 1oxu n LEU 190 Ca 0.01 0.27 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 1oxu n LEU 190 Cb 0.24 0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1oxu n LEU 190 CO 0.40 0.10 -0.04 0.61 -1.33 0.00 0.00 177.39 177.13 1oxu n GLY 191 N 1.37 0.66 3.77 -0.72 0.00 0.71 -4.99 105.19 106.00 1oxu n GLY 191 Ca -0.10 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 1oxu n GLY 191 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oxu s VAL 192 N -2.01 3.22 0.40 1.61 -7.23 -1.25 -3.01 120.40 112.12 1oxu s VAL 192 Ca 0.00 0.70 -0.25 0.00 -1.81 0.00 0.00 61.98 60.62 1oxu s VAL 192 Cb 0.00 -3.25 -0.08 0.00 0.56 0.00 0.00 36.38 33.61 1oxu s VAL 192 CO 0.00 -0.22 1.18 -0.89 -0.31 0.00 0.00 175.10 174.86 1oxu s THR 193 N -1.95 3.11 -0.05 5.32 2.01 -0.22 -4.53 115.64 119.34 1oxu s THR 193 Ca 0.71 0.94 0.01 0.00 0.31 0.00 0.00 61.69 63.65 1oxu s THR 193 Cb -0.23 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 68.78 1oxu s THR 193 CO 0.31 0.09 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.07 1oxu s LEU 194 N -2.48 1.31 -0.14 4.42 0.20 -0.17 -0.91 118.68 120.89 1oxu s LEU 194 Ca 0.57 -0.13 0.02 0.00 0.69 0.00 0.00 54.13 55.28 1oxu s LEU 194 Cb -0.31 -0.45 0.01 0.00 -0.43 0.00 0.00 46.19 45.00 1oxu s LEU 194 CO 0.39 -0.06 -0.21 -0.22 -0.29 0.00 0.00 176.35 175.97 1oxu s LEU 195 N 0.95 2.17 -0.06 -0.68 2.96 -0.31 -0.67 118.68 123.05 1oxu s LEU 195 Ca -0.11 -0.58 0.02 0.00 -0.22 0.00 0.00 54.13 53.25 1oxu s LEU 195 Cb -0.14 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1oxu s LEU 195 CO -0.00 0.08 -0.11 0.54 -1.32 0.00 0.00 176.35 175.54 1oxu s VAL 196 N 0.82 1.04 0.01 1.68 0.11 -0.60 -0.99 120.40 122.47 1oxu s VAL 196 Ca -0.07 -0.44 0.08 0.00 -2.93 0.00 0.00 61.98 58.63 1oxu s VAL 196 Cb -0.15 -0.95 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 1oxu s VAL 196 CO -0.02 0.33 -0.26 0.68 -3.33 0.00 0.00 175.10 172.50 1oxu s VAL 197 N 0.58 2.05 0.18 2.04 -7.23 -0.53 -1.04 120.40 116.44 1oxu s VAL 197 Ca -0.12 -1.21 -0.23 0.00 -1.81 0.00 0.00 61.98 58.61 1oxu s VAL 197 Cb -0.14 -1.72 0.06 0.00 0.56 0.00 0.00 36.38 35.13 1oxu s VAL 197 CO 0.03 0.48 0.73 -0.55 -0.31 0.00 0.00 175.10 175.48 1oxu s SER 198 N -0.86 -0.38 0.00 4.85 0.15 -0.42 -1.35 113.70 115.69 1oxu s SER 198 Ca 0.10 -0.27 0.21 0.00 0.70 0.00 0.00 55.95 56.70 1oxu s SER 198 Cb -0.10 0.60 -0.04 0.00 -1.71 0.00 0.00 66.02 64.77 1oxu s SER 198 CO 0.00 -1.05 1.01 0.00 1.20 0.00 0.00 173.24 174.41 1oxu n HIS 199 N -0.40 0.00 -3.66 3.44 1.44 -1.25 -2.07 115.22 112.72 1oxu n HIS 199 Ca -0.10 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.23 1oxu n HIS 199 Cb 0.62 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.61 1oxu n HIS 199 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 1oxu s ASP 200 N -2.44 5.59 0.50 4.39 -1.08 -1.26 -4.79 116.67 117.58 1oxu s ASP 200 Ca 0.16 -0.30 0.23 0.00 -0.52 0.00 0.00 52.55 52.12 1oxu s ASP 200 Cb 0.17 -2.02 1.33 0.00 -1.46 0.00 0.00 42.92 40.94 1oxu s ASP 200 CO 0.58 -0.12 2.07 -0.65 0.52 0.00 0.00 175.17 177.57 1oxu h PRO 201 N 8.34 0.00 -0.75 4.34 0.11 -1.90 -2.30 132.00 139.84 1oxu h PRO 201 Ca -0.35 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.74 1oxu h PRO 201 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1oxu h PRO 201 CO 0.59 0.12 0.38 0.00 -0.21 0.00 0.00 178.00 178.88 1oxu h ALA 202 N 1.88 0.97 -0.67 -0.75 0.00 -1.94 -0.61 119.26 118.13 1oxu h ALA 202 Ca -0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1oxu h ALA 202 Cb 0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1oxu h ALA 202 CO 0.02 0.51 0.12 -0.44 0.00 0.00 0.00 179.25 179.46 1oxu h ASP 203 N 1.05 1.06 -0.06 0.00 3.45 -1.85 -2.75 116.42 117.32 1oxu h ASP 203 Ca 0.26 -0.26 -0.01 0.00 0.43 0.00 0.00 57.03 57.46 1oxu h ASP 203 Cb 0.09 -0.28 -0.00 0.00 -0.56 0.00 0.00 39.33 38.58 1oxu h ASP 203 CO -0.04 1.04 -0.00 0.40 -1.57 0.00 0.00 179.24 179.07 1oxu h ILE 204 N 1.03 1.26 0.00 0.35 1.08 -1.37 -2.97 117.51 116.89 1oxu h ILE 204 Ca 0.21 -0.80 -0.03 0.00 -0.39 0.00 0.00 64.86 63.84 1oxu h ILE 204 Cb 0.43 1.69 -0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1oxu h ILE 204 CO 0.01 0.22 -0.14 -0.26 -0.69 0.00 0.00 178.15 177.29 1oxu h PHE 205 N -0.20 0.00 0.08 1.37 -1.00 -1.15 0.20 116.94 116.24 1oxu h PHE 205 Ca 0.02 0.00 -0.25 0.00 2.81 0.00 0.00 57.97 60.54 1oxu h PHE 205 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 1oxu h PHE 205 CO 0.04 0.14 -1.12 0.00 -1.61 0.00 0.00 178.31 175.76 1oxu h ALA 206 N 1.86 0.21 0.00 2.45 0.00 -1.44 -3.41 119.26 118.92 1oxu h ALA 206 Ca -0.00 -0.81 -0.16 0.00 0.00 0.00 0.00 54.91 53.94 1oxu h ALA 206 Cb 0.49 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1oxu h ALA 206 CO 0.02 0.90 -1.62 -0.89 0.00 0.00 0.00 179.25 177.66 1oxu n ILE 207 N -3.63 0.62 -3.23 0.00 5.41 -1.12 -4.97 119.36 112.44 1oxu n ILE 207 Ca -0.08 -0.32 -0.39 0.00 1.00 0.00 0.00 62.75 62.96 1oxu n ILE 207 Cb 0.94 -0.82 -0.06 0.00 -0.71 0.00 0.00 39.64 38.99 1oxu n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1oxu s ALA 208 N -2.22 3.56 -0.12 -1.39 0.00 0.04 -4.86 121.76 116.77 1oxu s ALA 208 Ca -0.09 0.08 0.18 0.00 0.00 0.00 0.00 51.96 52.13 1oxu s ALA 208 Cb 0.03 -2.69 -0.20 0.00 0.00 0.00 0.00 23.12 20.26 1oxu s ALA 208 CO 0.32 0.35 0.58 -0.25 0.00 0.00 0.00 175.76 176.76 1oxu n ASP 209 N 1.85 0.53 -3.93 0.00 8.00 0.16 -4.76 116.55 118.39 1oxu n ASP 209 Ca -0.09 0.23 -0.14 0.00 0.71 0.00 0.00 54.79 55.50 1oxu n ASP 209 Cb 0.50 0.62 -0.14 0.00 -0.02 0.00 0.00 41.12 42.09 1oxu n ASP 209 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1oxu s ARG 210 N -2.89 0.26 0.01 -1.24 3.52 -1.17 -4.42 118.95 113.02 1oxu s ARG 210 Ca -0.05 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 55.38 1oxu s ARG 210 Cb 0.09 -0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.26 1oxu s ARG 210 CO 0.83 0.05 -0.07 0.54 -0.81 0.00 0.00 175.30 175.85 1oxu s VAL 211 N -0.26 0.49 -0.09 7.11 0.11 0.11 -1.40 120.40 126.47 1oxu s VAL 211 Ca -0.01 -0.55 0.00 0.00 -2.93 0.00 0.00 61.98 58.49 1oxu s VAL 211 Cb -0.02 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1oxu s VAL 211 CO -0.00 -0.06 -0.07 -0.83 -3.33 0.00 0.00 175.10 170.81 1oxu s GLY 212 N -0.67 1.68 -0.26 6.54 0.00 0.14 -1.82 107.32 112.93 1oxu s GLY 212 Ca -0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 44.72 43.74 1oxu s GLY 212 CO 0.00 -0.52 0.09 0.14 0.00 0.00 0.00 173.10 172.81 1oxu s VAL 213 N -0.48 4.40 -0.21 1.40 1.01 -0.24 -0.67 120.40 125.61 1oxu s VAL 213 Ca 0.07 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 1oxu s VAL 213 Cb -0.12 -3.09 -0.03 0.00 0.00 0.00 0.00 36.38 33.14 1oxu s VAL 213 CO 0.02 0.29 0.03 -0.22 0.00 0.00 0.00 175.10 175.22 1oxu s LEU 214 N 1.62 3.44 -0.10 3.92 2.96 0.16 -1.26 118.68 129.42 1oxu s LEU 214 Ca 0.06 -0.13 -0.00 0.00 -0.22 0.00 0.00 54.13 53.84 1oxu s LEU 214 Cb -0.15 -1.88 0.02 0.00 0.50 0.00 0.00 46.19 44.68 1oxu s LEU 214 CO 0.04 0.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.38 1oxu s VAL 215 N 0.99 0.97 -1.42 1.68 1.01 -0.22 -4.25 120.40 119.16 1oxu s VAL 215 Ca 0.03 -0.27 -0.08 0.00 0.00 0.00 0.00 61.98 61.65 1oxu s VAL 215 Cb -0.14 -0.98 0.01 0.00 0.00 0.00 0.00 36.38 35.26 1oxu s VAL 215 CO 0.02 0.35 0.30 0.29 0.00 0.00 0.00 175.10 176.07 1oxu n LYS 216 N 4.77 -1.45 -0.19 2.72 5.02 -1.26 -1.07 118.16 126.71 1oxu n LYS 216 Ca -0.14 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1oxu n LYS 216 Cb 0.50 -3.66 0.00 0.00 -0.02 0.00 0.00 35.03 31.85 1oxu n LYS 216 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oxu n GLY 217 N -2.27 2.56 3.57 0.72 0.00 0.88 -4.84 105.19 105.81 1oxu n GLY 217 Ca -0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 1oxu n GLY 217 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxu s LYS 218 N -0.00 3.63 -0.62 1.61 1.02 -0.23 0.05 119.74 125.19 1oxu s LYS 218 Ca 0.00 -0.45 -0.27 0.00 0.02 0.00 0.00 55.97 55.27 1oxu s LYS 218 Cb 0.00 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.37 1oxu s LYS 218 CO 0.00 0.34 1.16 -1.17 -0.92 0.00 0.00 175.35 174.76 1oxu s LEU 219 N 0.12 3.55 0.17 3.17 2.96 -1.26 -1.06 118.68 126.33 1oxu s LEU 219 Ca 0.01 -0.18 0.23 0.00 -0.22 0.00 0.00 54.13 53.97 1oxu s LEU 219 Cb -0.13 -2.91 0.15 0.00 0.50 0.00 0.00 46.19 43.80 1oxu s LEU 219 CO 0.02 -1.52 1.17 -0.37 -1.32 0.00 0.00 176.35 174.33 1oxu h VAL 220 N 6.09 0.00 -1.82 1.68 -1.51 -1.54 -3.48 116.25 115.67 1oxu h VAL 220 Ca -0.26 -0.75 -0.00 0.00 -1.23 0.00 0.00 66.70 64.45 1oxu h VAL 220 Cb 1.06 1.29 -0.21 0.00 -2.13 0.00 0.00 31.29 31.29 1oxu h VAL 220 CO 1.19 0.00 0.32 -1.58 -1.23 0.00 0.00 177.57 176.27 1oxu s GLN 221 N -3.27 0.82 -0.07 5.19 0.74 -1.25 -4.96 119.66 116.87 1oxu s GLN 221 Ca 0.03 0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.76 1oxu s GLN 221 Cb 0.11 0.39 0.03 0.00 1.10 0.00 0.00 33.01 34.65 1oxu s GLN 221 CO 0.76 -0.22 0.17 0.08 -0.55 0.00 0.00 175.29 175.53 1oxu s VAL 222 N -0.79 -0.03 -1.21 1.34 1.01 -1.26 -1.08 120.40 118.38 1oxu s VAL 222 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1oxu s VAL 222 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1oxu s VAL 222 CO 0.04 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.80 1oxu n GLY 223 N 3.84 -1.37 3.79 4.51 0.00 -0.76 -4.98 105.19 110.23 1oxu n GLY 223 Ca -0.22 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.49 1oxu n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxu s LYS 224 N -1.01 3.53 0.21 1.61 1.02 -1.26 0.04 119.74 123.88 1oxu s LYS 224 Ca 0.00 1.36 -0.16 0.00 0.02 0.00 0.00 55.97 57.20 1oxu s LYS 224 Cb 0.00 -2.05 0.22 0.00 -0.52 0.00 0.00 37.83 35.47 1oxu s LYS 224 CO 0.00 -0.66 1.60 -1.35 -0.92 0.00 0.00 175.35 174.03 1oxu h PRO 225 N 1.10 -0.06 -0.98 -1.68 0.11 -1.86 -0.80 132.00 127.83 1oxu h PRO 225 Ca -0.49 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.67 1oxu h PRO 225 Cb 1.23 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 1oxu h PRO 225 CO 0.58 -0.04 0.64 1.49 -0.21 0.00 0.00 178.00 180.46 1oxu h GLU 226 N -0.07 1.17 -0.59 1.05 4.81 -1.96 -0.00 114.58 118.99 1oxu h GLU 226 Ca 0.29 -0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 1oxu h GLU 226 Cb 0.53 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 1oxu h GLU 226 CO -0.70 0.77 0.34 -0.44 -0.73 0.00 0.00 179.01 178.25 1oxu h ASP 227 N 1.20 0.73 -0.44 1.04 3.32 -1.55 0.59 116.42 121.31 1oxu h ASP 227 Ca 0.40 -0.08 -0.11 0.00 0.02 0.00 0.00 57.03 57.26 1oxu h ASP 227 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1oxu h ASP 227 CO -0.14 0.59 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.77 1oxu h LEU 228 N 0.80 0.92 -0.34 1.55 3.38 -0.82 0.39 115.31 121.19 1oxu h LEU 228 Ca 0.21 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 1oxu h LEU 228 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1oxu h LEU 228 CO -0.04 1.06 0.06 0.22 0.09 0.00 0.00 178.44 179.83 1oxu h TYR 229 N 0.81 0.60 0.00 1.13 3.20 -0.52 -2.92 116.97 119.27 1oxu h TYR 229 Ca 0.12 -0.08 -0.23 0.00 3.14 0.00 0.00 58.73 61.68 1oxu h TYR 229 Cb 0.68 -0.16 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1oxu h TYR 229 CO 0.04 0.62 -1.54 -0.44 -1.64 0.00 0.00 178.16 175.21 1oxu h ASP 230 N 0.40 0.00 -2.17 -2.11 3.45 -0.88 -3.41 116.42 111.71 1oxu h ASP 230 Ca 0.10 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 57.02 1oxu h ASP 230 Cb 0.35 0.00 -0.41 0.00 -0.56 0.00 0.00 39.33 38.70 1oxu h ASP 230 CO 0.01 0.80 -0.86 0.59 -1.57 0.00 0.00 179.24 178.21 1oxu n ASN 231 N -2.99 2.95 -4.77 6.45 3.02 0.14 -4.98 115.26 115.08 1oxu n ASN 231 Ca -0.13 -3.39 -0.38 0.00 -0.03 0.00 0.00 54.58 50.65 1oxu n ASN 231 Cb 0.95 -0.59 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 1oxu n ASN 231 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 1oxu s PRO 232 N -2.96 4.00 0.47 3.52 0.02 -1.10 -4.68 135.00 134.28 1oxu s PRO 232 Ca 0.45 1.90 0.27 0.00 0.02 0.00 0.00 61.00 63.63 1oxu s PRO 232 Cb 0.30 -2.67 0.85 0.00 0.02 0.00 0.00 34.50 32.99 1oxu s PRO 232 CO -0.11 -0.38 1.79 0.28 -0.33 0.00 0.00 177.00 178.25 1oxu h VAL 233 N 2.31 0.20 -3.56 3.83 2.07 -1.93 -3.46 116.25 115.70 1oxu h VAL 233 Ca -0.49 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.04 1oxu h VAL 233 Cb 1.24 1.79 -0.09 0.00 -1.52 0.00 0.00 31.29 32.71 1oxu h VAL 233 CO 0.62 0.09 -0.09 -0.94 0.02 0.00 0.00 177.57 177.28 1oxu s SER 234 N -6.03 -0.12 0.42 0.57 1.04 -1.26 -5.04 113.70 103.28 1oxu s SER 234 Ca 0.03 -0.81 0.19 0.00 0.48 0.00 0.00 55.95 55.84 1oxu s SER 234 Cb 0.08 0.58 0.91 0.00 0.10 0.00 0.00 66.02 67.69 1oxu s SER 234 CO 0.62 -1.11 1.86 -0.29 0.98 0.00 0.00 173.24 175.30 1oxu h ILE 235 N 2.26 0.92 -0.16 -1.02 6.09 -1.98 -1.91 117.51 121.71 1oxu h ILE 235 Ca -0.27 -1.14 -0.07 0.00 -1.37 0.00 0.00 64.86 62.01 1oxu h ILE 235 Cb 1.25 1.67 -0.00 0.00 0.47 0.00 0.00 36.82 40.21 1oxu h ILE 235 CO 0.36 0.29 -0.16 -0.61 -3.07 0.00 0.00 178.15 174.97 1oxu h GLN 236 N 0.00 0.39 -0.27 2.19 4.15 -1.99 -1.53 115.11 118.05 1oxu h GLN 236 Ca -0.00 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.21 1oxu h GLN 236 Cb 0.65 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1oxu h GLN 236 CO 0.04 0.76 0.18 0.28 -1.93 0.00 0.00 178.83 178.16 1oxu h VAL 237 N 0.03 1.08 -0.68 2.39 2.07 -1.94 0.11 116.25 119.30 1oxu h VAL 237 Ca 0.03 -0.15 0.15 0.00 0.82 0.00 0.00 66.70 67.54 1oxu h VAL 237 Cb 0.69 0.69 -0.11 0.00 -1.52 0.00 0.00 31.29 31.04 1oxu h VAL 237 CO 0.04 0.07 0.06 0.00 0.02 0.00 0.00 177.57 177.77 1oxu h ALA 238 N 1.09 0.76 0.00 1.67 0.00 -1.24 -0.71 119.26 120.82 1oxu h ALA 238 Ca 0.10 0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.08 1oxu h ALA 238 Cb -0.03 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1oxu h ALA 238 CO -0.02 -0.38 -0.58 0.66 0.00 0.00 0.00 179.25 178.93 1oxu h SER 239 N 0.17 0.00 -0.57 0.00 4.64 -0.91 -2.96 113.55 113.91 1oxu h SER 239 Ca 0.37 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.58 1oxu h SER 239 Cb 0.62 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 1oxu h SER 239 CO -0.54 0.58 -0.06 -0.07 -0.87 0.00 0.00 176.83 175.87 1oxu h LEU 240 N 0.00 1.05 -0.31 5.97 3.38 0.60 -3.18 115.31 122.82 1oxu h LEU 240 Ca -0.01 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1oxu h LEU 240 Cb 1.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1oxu h LEU 240 CO 0.08 1.12 -0.26 0.00 0.09 0.00 0.00 178.44 179.47 1oxu n ILE 241 N -4.16 0.00 0.00 1.22 0.13 -0.49 -4.70 119.36 111.36 1oxu n ILE 241 Ca 0.02 -0.08 0.00 0.00 -1.10 0.00 0.00 62.75 61.59 1oxu n ILE 241 Cb 0.38 0.21 0.00 0.00 -0.84 0.00 0.00 39.64 39.39 1oxu n ILE 241 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1oxu n GLY 242 N 1.37 0.81 3.76 4.50 0.00 -1.12 -4.94 105.19 109.56 1oxu n GLY 242 Ca 0.11 -0.91 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1oxu n GLY 242 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxu s GLU 243 N -2.00 4.19 -0.19 1.61 2.02 -1.26 -4.11 118.70 118.95 1oxu s GLU 243 Ca 0.00 2.46 -0.27 0.00 0.02 0.00 0.00 54.97 57.17 1oxu s GLU 243 Cb 0.00 -3.03 0.08 0.00 0.10 0.00 0.00 34.13 31.27 1oxu s GLU 243 CO 0.00 -0.48 0.74 -1.50 0.02 0.00 0.00 175.26 174.03 1oxu s ILE 244 N -0.52 0.00 -0.03 -1.63 2.07 -1.26 -4.47 121.20 115.36 1oxu s ILE 244 Ca 0.57 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.54 1oxu s ILE 244 Cb -0.45 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.11 1oxu s ILE 244 CO 0.52 0.00 0.85 0.20 -1.91 0.00 0.00 174.94 174.60 1oxu s ASN 245 N -0.21 7.19 -0.23 4.50 0.01 -0.39 -4.94 114.94 120.86 1oxu s ASN 245 Ca -0.04 1.43 -0.04 0.00 -0.71 0.00 0.00 52.86 53.51 1oxu s ASN 245 Cb -0.03 -2.49 0.00 0.00 0.41 0.00 0.00 41.25 39.13 1oxu s ASN 245 CO 0.04 -0.20 -0.04 -1.61 -1.51 0.00 0.00 177.10 173.78 1oxu s GLU 246 N 0.93 3.23 0.01 -0.60 2.02 -1.26 -2.03 118.70 121.00 1oxu s GLU 246 Ca 0.45 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.74 1oxu s GLU 246 Cb -0.19 -3.04 -0.01 0.00 0.10 0.00 0.00 34.13 30.99 1oxu s GLU 246 CO 0.23 -0.27 -0.10 -0.51 0.02 0.00 0.00 175.26 174.64 1oxu s LEU 247 N 1.45 2.08 -0.04 1.80 2.01 -0.41 -4.85 118.68 120.72 1oxu s LEU 247 Ca 0.04 -0.26 -0.01 0.00 0.01 0.00 0.00 54.13 53.91 1oxu s LEU 247 Cb -0.15 -0.44 -0.04 0.00 0.01 0.00 0.00 46.19 45.57 1oxu s LEU 247 CO -0.03 0.05 0.05 -0.70 1.01 0.00 0.00 176.35 176.73 1oxu s GLU 248 N -0.56 3.02 0.18 1.70 2.12 -1.26 0.13 118.70 124.03 1oxu s GLU 248 Ca 0.01 -0.46 -0.04 0.00 0.36 0.00 0.00 54.97 54.84 1oxu s GLU 248 Cb -0.05 -2.83 0.02 0.00 0.26 0.00 0.00 34.13 31.53 1oxu s GLU 248 CO 0.00 0.67 0.32 0.41 -0.54 0.00 0.00 175.26 176.12 1oxu n GLY 249 N 1.55 2.04 3.64 -1.50 0.00 0.34 -4.88 105.19 106.38 1oxu n GLY 249 Ca -0.15 -1.30 -0.33 0.00 0.00 0.00 0.00 46.02 44.23 1oxu n GLY 249 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxu s LYS 250 N -2.21 2.77 -0.16 1.61 1.02 -1.16 -0.32 119.74 121.29 1oxu s LYS 250 Ca 0.11 -0.57 -0.22 0.00 0.02 0.00 0.00 55.97 55.30 1oxu s LYS 250 Cb -0.01 -2.65 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1oxu s LYS 250 CO 0.08 0.65 0.70 0.08 -0.92 0.00 0.00 175.35 175.93 1oxu s VAL 251 N -0.96 4.99 0.45 3.17 1.01 -0.07 -1.68 120.40 127.31 1oxu s VAL 251 Ca 0.16 1.36 0.03 0.00 0.00 0.00 0.00 61.98 63.53 1oxu s VAL 251 Cb -0.11 -4.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 1oxu s VAL 251 CO 0.06 0.12 0.06 0.42 0.00 0.00 0.00 175.10 175.76 1oxu s THR 252 N 1.73 0.95 -0.43 3.92 -4.23 -0.01 -4.95 115.64 112.62 1oxu s THR 252 Ca 0.33 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.06 1oxu s THR 252 Cb -0.16 -2.33 0.23 0.00 1.34 0.00 0.00 72.50 71.57 1oxu s THR 252 CO 0.12 0.00 1.66 -0.46 -0.54 0.00 0.00 174.62 175.41 1oxu n ASN 253 N -1.24 0.59 -0.12 3.99 6.94 -1.26 -2.33 115.26 121.83 1oxu n ASN 253 Ca -0.11 0.68 0.05 0.00 -0.02 0.00 0.00 54.58 55.18 1oxu n ASN 253 Cb 0.66 -0.79 -0.03 0.00 -2.36 0.00 0.00 39.78 37.26 1oxu n ASN 253 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1oxu n GLU 254 N -2.19 2.88 -0.11 -3.83 0.00 -1.26 -5.11 120.64 111.02 1oxu n GLU 254 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 57.16 56.85 1oxu n GLU 254 Cb 0.16 -1.03 0.00 0.00 0.00 0.00 0.00 31.44 30.57 1oxu n GLU 254 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1oxu n GLY 255 N 1.06 0.94 3.65 -1.84 0.00 -0.98 -4.57 105.19 103.44 1oxu n GLY 255 Ca 0.03 -1.88 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 1oxu n GLY 255 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1oxu s VAL 256 N -2.28 5.03 -0.17 1.61 1.01 -0.11 -0.83 120.40 124.67 1oxu s VAL 256 Ca 0.00 1.08 -0.09 0.00 0.00 0.00 0.00 61.98 62.98 1oxu s VAL 256 Cb 0.00 -3.90 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 1oxu s VAL 256 CO 0.00 0.10 0.11 -0.69 0.00 0.00 0.00 175.10 174.62 1oxu s VAL 257 N 2.06 5.26 -0.38 2.92 1.01 -0.67 -1.15 120.40 129.45 1oxu s VAL 257 Ca 0.26 0.13 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1oxu s VAL 257 Cb -0.16 -3.36 0.14 0.00 0.00 0.00 0.00 36.38 33.00 1oxu s VAL 257 CO 0.09 0.49 0.24 -0.63 0.00 0.00 0.00 175.10 175.29 1oxu s ILE 258 N 0.02 0.40 0.00 2.22 1.01 0.98 -2.98 121.20 122.85 1oxu s ILE 258 Ca 0.09 -2.00 0.00 0.00 0.00 0.00 0.00 60.65 58.73 1oxu s ILE 258 Cb -0.11 -1.29 0.00 0.00 0.01 0.00 0.00 42.46 41.06 1oxu s ILE 258 CO -0.00 -1.01 0.00 0.61 0.00 0.00 0.00 174.94 174.54 1oxu n GLY 259 N 3.77 3.13 0.05 6.18 0.00 -1.26 -1.47 105.19 115.59 1oxu n GLY 259 Ca 0.14 -0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.14 1oxu n GLY 259 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1oxu n SER 260 N 6.52 0.17 -4.87 1.61 3.41 -1.26 -4.83 113.62 114.37 1oxu n SER 260 Ca 0.00 -0.86 -0.37 0.00 -0.26 0.00 0.00 58.87 57.38 1oxu n SER 260 Cb 0.00 -0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 63.83 1oxu n SER 260 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1oxu s LEU 261 N -2.14 4.41 -0.12 1.04 1.43 -0.54 -4.06 118.68 118.71 1oxu s LEU 261 Ca 0.42 0.60 -0.02 0.00 -1.03 0.00 0.00 54.13 54.11 1oxu s LEU 261 Cb 0.21 -2.24 0.04 0.00 0.03 0.00 0.00 46.19 44.23 1oxu s LEU 261 CO 0.39 0.38 -0.00 -0.13 0.23 0.00 0.00 176.35 177.22 1oxu s ARG 262 N -1.09 0.78 -0.19 1.70 3.00 0.12 -0.01 118.95 123.25 1oxu s ARG 262 Ca 0.18 -0.12 -0.10 0.00 0.00 0.00 0.00 55.73 55.69 1oxu s ARG 262 Cb -0.13 -1.42 -0.05 0.00 0.00 0.00 0.00 34.95 33.35 1oxu s ARG 262 CO 0.07 -0.40 0.13 -0.06 0.00 0.00 0.00 175.30 175.04 1oxu s PHE 263 N 1.89 3.41 -1.36 -0.53 0.40 -0.30 -4.61 117.98 116.89 1oxu s PHE 263 Ca 0.03 0.33 -0.08 0.00 -0.60 0.00 0.00 56.93 56.61 1oxu s PHE 263 Cb -0.14 -2.14 -0.08 0.00 0.51 0.00 0.00 43.02 41.17 1oxu s PHE 263 CO -0.07 0.31 2.67 -0.35 0.70 0.00 0.00 175.22 178.48 1oxu n PRO 264 N 3.43 3.11 -4.03 0.24 -0.05 -1.26 -0.93 135.00 135.50 1oxu n PRO 264 Ca -0.16 -1.92 -0.09 0.00 -0.05 0.00 0.00 63.50 61.28 1oxu n PRO 264 Cb 0.52 -2.66 -0.08 0.00 -0.05 0.00 0.00 33.50 31.22 1oxu n PRO 264 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 175.50 175.59 1oxu s VAL 265 N 2.60 0.10 0.01 0.52 -7.23 -1.26 -5.00 120.40 110.14 1oxu s VAL 265 Ca 0.59 -1.60 -0.05 0.00 -1.81 0.00 0.00 61.98 59.11 1oxu s VAL 265 Cb 0.15 -1.85 -0.01 0.00 0.56 0.00 0.00 36.38 35.24 1oxu s VAL 265 CO -0.05 -0.45 0.09 -0.55 -0.31 0.00 0.00 175.10 173.83 1oxu s SER 266 N -2.99 0.11 0.07 4.85 0.15 -1.26 -3.07 113.70 111.57 1oxu s SER 266 Ca 0.18 -0.35 0.03 0.00 0.70 0.00 0.00 55.95 56.51 1oxu s SER 266 Cb 0.05 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.52 1oxu s SER 266 CO -0.01 -0.39 -0.09 -0.69 1.20 0.00 0.00 173.24 173.26 1oxu s VAL 267 N -1.69 0.76 -1.05 4.45 1.01 -1.26 -5.01 120.40 117.60 1oxu s VAL 267 Ca -0.13 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.40 1oxu s VAL 267 Cb -0.07 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1oxu s VAL 267 CO -0.00 -0.52 0.40 -1.20 0.00 0.00 0.00 175.10 173.77 1oxu n SER 268 N 0.86 0.71 -4.56 3.32 7.64 -1.26 -4.78 113.62 115.55 1oxu n SER 268 Ca -0.18 -1.50 -0.26 0.00 1.01 0.00 0.00 58.87 57.94 1oxu n SER 268 Cb 0.57 -0.36 -0.10 0.00 -1.01 0.00 0.00 64.21 63.31 1oxu n SER 268 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1oxu s SER 269 N -0.30 3.81 0.32 6.43 1.04 -1.26 -5.03 113.70 118.70 1oxu s SER 269 Ca 0.00 -1.16 0.03 0.00 0.48 0.00 0.00 55.95 55.30 1oxu s SER 269 Cb 0.00 -0.38 0.54 0.00 0.10 0.00 0.00 66.02 66.28 1oxu s SER 269 CO 0.00 -0.20 1.84 0.44 0.98 0.00 0.00 173.24 176.29 1oxu h ASP 270 N 1.99 0.52 -3.03 7.02 3.32 -1.93 -3.41 116.42 120.91 1oxu h ASP 270 Ca -0.42 -0.11 -0.49 0.00 0.02 0.00 0.00 57.03 56.03 1oxu h ASP 270 Cb 1.25 -0.14 -0.15 0.00 0.22 0.00 0.00 39.33 40.52 1oxu h ASP 270 CO 0.70 0.62 -0.74 -0.13 -1.72 0.00 0.00 179.24 177.96 1oxu s ARG 271 N -4.90 1.40 0.10 3.56 0.52 -1.26 -0.90 118.95 117.46 1oxu s ARG 271 Ca -0.08 -1.61 -0.05 0.00 -0.52 0.00 0.00 55.73 53.47 1oxu s ARG 271 Cb 0.15 -1.27 -0.02 0.00 0.52 0.00 0.00 34.95 34.33 1oxu s ARG 271 CO 0.77 0.22 0.12 0.00 0.02 0.00 0.00 175.30 176.44 1oxu s ALA 272 N -2.81 0.21 -0.17 2.13 0.00 0.57 -3.24 121.76 118.44 1oxu s ALA 272 Ca 0.23 -0.98 -0.02 0.00 0.00 0.00 0.00 51.96 51.20 1oxu s ALA 272 Cb -0.02 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.64 1oxu s ALA 272 CO 0.08 -0.49 -0.08 0.42 0.00 0.00 0.00 175.76 175.69 1oxu s ILE 273 N -3.93 3.32 -0.15 0.00 1.01 -0.50 -0.51 121.20 120.45 1oxu s ILE 273 Ca 0.11 -0.55 -0.08 0.00 0.00 0.00 0.00 60.65 60.14 1oxu s ILE 273 Cb 0.06 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1oxu s ILE 273 CO -0.07 0.49 0.12 -0.63 0.00 0.00 0.00 174.94 174.85 1oxu s ILE 274 N 0.73 5.33 -0.18 2.92 -1.09 0.34 -1.79 121.20 127.46 1oxu s ILE 274 Ca -0.04 0.15 0.01 0.00 -2.23 0.00 0.00 60.65 58.54 1oxu s ILE 274 Cb -0.15 -3.36 0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1oxu s ILE 274 CO 0.02 0.54 -0.18 -0.83 -1.23 0.00 0.00 174.94 173.26 1oxu s GLY 275 N -0.41 1.42 -0.06 6.18 0.00 0.87 -1.28 107.32 114.03 1oxu s GLY 275 Ca 0.11 -1.20 -0.02 0.00 0.00 0.00 0.00 44.72 43.61 1oxu s GLY 275 CO 0.01 0.26 0.05 -1.50 0.00 0.00 0.00 173.10 171.93 1oxu s ILE 276 N 1.26 0.02 0.52 0.90 1.10 -0.86 -0.76 121.20 123.37 1oxu s ILE 276 Ca 0.04 0.30 -0.20 0.00 -0.51 0.00 0.00 60.65 60.27 1oxu s ILE 276 Cb -0.13 -0.29 -0.07 0.00 0.15 0.00 0.00 42.46 42.12 1oxu s ILE 276 CO -0.11 0.16 1.11 -0.13 -2.11 0.00 0.00 174.94 173.86 1oxu s ARG 277 N 2.11 3.53 0.34 3.50 0.52 -1.26 -1.26 118.95 126.44 1oxu s ARG 277 Ca 0.05 1.57 0.08 0.00 -0.52 0.00 0.00 55.73 56.90 1oxu s ARG 277 Cb -0.12 -2.09 0.78 0.00 0.52 0.00 0.00 34.95 34.04 1oxu s ARG 277 CO -0.04 -0.70 1.86 -1.00 0.02 0.00 0.00 175.30 175.44 1oxu h PRO 278 N 1.42 0.72 0.00 3.54 0.13 -1.78 0.13 132.00 136.15 1oxu h PRO 278 Ca -0.50 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1oxu h PRO 278 Cb 1.25 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1oxu h PRO 278 CO 0.58 0.47 0.00 1.05 -0.23 0.00 0.00 178.00 179.87 1oxu h GLU 279 N 0.74 0.00 -0.68 0.86 9.09 -1.92 -2.56 114.58 120.11 1oxu h GLU 279 Ca 0.46 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.78 1oxu h GLU 279 Cb 0.70 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.75 1oxu h GLU 279 CO -0.22 0.00 0.12 -0.25 0.05 0.00 0.00 179.01 178.71 1oxu n ASP 280 N -2.51 5.20 -4.13 3.06 8.00 0.03 -4.89 116.55 121.31 1oxu n ASP 280 Ca 0.01 -3.01 -0.25 0.00 0.71 0.00 0.00 54.79 52.24 1oxu n ASP 280 Cb 0.21 -0.71 -0.16 0.00 -0.02 0.00 0.00 41.12 40.44 1oxu n ASP 280 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1oxu s VAL 281 N -2.77 1.34 -0.01 2.53 1.01 -0.97 -2.32 120.40 119.21 1oxu s VAL 281 Ca 0.53 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.82 1oxu s VAL 281 Cb 0.41 -1.14 0.01 0.00 0.00 0.00 0.00 36.38 35.66 1oxu s VAL 281 CO 0.14 0.39 0.00 -0.75 0.00 0.00 0.00 175.10 174.88 1oxu s LYS 282 N -0.08 0.09 0.11 2.72 2.20 0.16 -4.88 119.74 120.05 1oxu s LYS 282 Ca -0.01 0.06 0.08 0.00 -0.36 0.00 0.00 55.97 55.74 1oxu s LYS 282 Cb -0.10 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 35.97 1oxu s LYS 282 CO 0.01 -0.07 -0.12 -0.51 -0.36 0.00 0.00 175.35 174.30 1oxu s LEU 283 N 0.54 2.95 0.05 5.43 1.43 -1.26 -0.24 118.68 127.58 1oxu s LEU 283 Ca -0.05 -0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 52.35 1oxu s LEU 283 Cb -0.07 -1.76 0.09 0.00 0.03 0.00 0.00 46.19 44.48 1oxu s LEU 283 CO -0.01 0.18 0.78 -0.94 0.23 0.00 0.00 176.35 176.59 1oxu s SER 284 N -2.19 -0.45 0.00 2.29 1.04 -0.86 -4.96 113.70 108.58 1oxu s SER 284 Ca 0.20 0.03 0.25 0.00 0.48 0.00 0.00 55.95 56.91 1oxu s SER 284 Cb -0.11 0.46 0.42 0.00 0.10 0.00 0.00 66.02 66.90 1oxu s SER 284 CO 0.13 -0.74 1.35 0.29 0.98 0.00 0.00 173.24 175.26 1oxu n LYS 285 N -0.23 0.38 -4.28 4.02 4.76 -1.26 -0.18 118.16 121.37 1oxu n LYS 285 Ca -0.12 -0.25 -0.19 0.00 -2.87 0.00 0.00 58.31 54.88 1oxu n LYS 285 Cb 0.63 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.21 1oxu n LYS 285 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 1oxu s ASP 286 N -2.79 2.26 0.52 4.39 -4.77 -1.26 -4.92 116.67 110.09 1oxu s ASP 286 Ca 0.15 -0.88 -0.22 0.00 -3.30 0.00 0.00 52.55 48.30 1oxu s ASP 286 Cb 0.18 -0.10 -0.06 0.00 -1.09 0.00 0.00 42.92 41.86 1oxu s ASP 286 CO 0.66 -0.14 1.26 0.68 0.70 0.00 0.00 175.17 178.32 1oxu s VAL 287 N -2.39 2.57 -0.33 2.11 -7.23 -1.26 -4.94 120.40 108.92 1oxu s VAL 287 Ca 0.14 0.42 -0.09 0.00 -1.81 0.00 0.00 61.98 60.64 1oxu s VAL 287 Cb -0.04 -3.20 0.01 0.00 0.56 0.00 0.00 36.38 33.72 1oxu s VAL 287 CO 0.04 -0.02 0.15 -0.63 -0.31 0.00 0.00 175.10 174.33 1oxu s ILE 288 N -1.45 4.34 -0.07 -0.62 -1.09 -1.26 -4.96 121.20 116.10 1oxu s ILE 288 Ca 0.70 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 58.39 1oxu s ILE 288 Cb -0.34 -3.32 0.06 0.00 -1.58 0.00 0.00 42.46 37.28 1oxu s ILE 288 CO 0.40 -0.07 1.63 2.29 -1.23 0.00 0.00 174.94 177.96 1oxu n LYS 289 N 4.94 1.18 -3.64 2.79 2.85 -1.26 -4.84 118.16 120.18 1oxu n LYS 289 Ca -0.13 -0.38 -0.37 0.00 -1.05 0.00 0.00 58.31 56.38 1oxu n LYS 289 Cb 0.47 -1.15 -0.07 0.00 -0.65 0.00 0.00 35.03 33.64 1oxu n LYS 289 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1oxu s ASP 290 N 1.20 6.47 0.47 -5.58 2.15 -1.26 -4.96 116.67 115.16 1oxu s ASP 290 Ca 0.07 0.56 0.27 0.00 0.43 0.00 0.00 52.55 53.88 1oxu s ASP 290 Cb 0.06 -2.16 0.97 0.00 -0.30 0.00 0.00 42.92 41.49 1oxu s ASP 290 CO 0.00 0.23 1.84 -2.24 -0.17 0.00 0.00 175.17 174.83 1oxu h ASP 291 N 5.86 0.00 0.94 -0.34 2.03 -2.05 -3.04 116.42 119.83 1oxu h ASP 291 Ca -0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.83 1oxu h ASP 291 Cb 1.19 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.69 1oxu h ASP 291 CO 0.69 0.13 -0.27 -0.24 -1.03 0.00 0.00 179.24 178.51 1oxu n SER 292 N -3.24 0.45 -4.43 4.15 2.88 -1.26 -4.84 113.62 107.34 1oxu n SER 292 Ca 0.01 0.24 -0.31 0.00 -1.33 0.00 0.00 58.87 57.48 1oxu n SER 292 Cb 0.41 -0.22 -0.13 0.00 -0.75 0.00 0.00 64.21 63.52 1oxu n SER 292 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1oxu s TRP 293 N -3.06 2.50 -0.05 0.66 0.52 -1.15 -4.34 118.94 114.02 1oxu s TRP 293 Ca 0.11 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 55.97 1oxu s TRP 293 Cb 0.16 -1.44 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 1oxu s TRP 293 CO 0.63 0.23 -0.15 0.96 0.02 0.00 0.00 176.95 178.64 1oxu s ILE 294 N -0.91 1.32 0.06 2.03 -4.36 -0.59 -4.76 121.20 114.00 1oxu s ILE 294 Ca 0.14 -0.63 -0.31 0.00 -0.26 0.00 0.00 60.65 59.60 1oxu s ILE 294 Cb -0.10 -1.16 -0.06 0.00 1.25 0.00 0.00 42.46 42.39 1oxu s ILE 294 CO 0.05 0.39 1.28 -0.22 0.24 0.00 0.00 174.94 176.68 1oxu s LEU 295 N 0.28 4.36 0.00 0.37 2.96 -1.26 -1.86 118.68 123.53 1oxu s LEU 295 Ca -0.09 2.10 0.05 0.00 -0.22 0.00 0.00 54.13 55.98 1oxu s LEU 295 Cb -0.13 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1oxu s LEU 295 CO 0.03 -0.56 0.29 1.33 -1.32 0.00 0.00 176.35 176.12 1oxu n VAL 296 N 4.08 0.00 0.00 1.68 0.24 -0.58 -4.98 118.33 118.77 1oxu n VAL 296 Ca 0.10 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 62.00 1oxu n VAL 296 Cb 0.45 1.02 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 1oxu n VAL 296 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1oxu n GLY 297 N 0.98 1.15 3.91 7.63 0.00 -1.24 0.13 105.19 117.75 1oxu n GLY 297 Ca 0.01 -1.89 -0.27 0.00 0.00 0.00 0.00 46.02 43.87 1oxu n GLY 297 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oxu s LYS 298 N -1.16 3.32 0.37 1.61 1.02 -1.26 -1.10 119.74 122.55 1oxu s LYS 298 Ca 0.00 0.10 -0.10 0.00 0.02 0.00 0.00 55.97 55.99 1oxu s LYS 298 Cb 0.00 -2.35 0.03 0.00 -0.52 0.00 0.00 37.83 34.99 1oxu s LYS 298 CO 0.00 -0.36 0.66 0.20 -0.92 0.00 0.00 175.35 174.93 1oxu s GLY 299 N -4.17 0.81 -0.02 -3.33 0.00 0.24 -3.67 107.32 97.18 1oxu s GLY 299 Ca 0.49 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 44.17 1oxu s GLY 299 CO 0.45 -0.58 -0.02 1.25 0.00 0.00 0.00 173.10 174.20 1oxu s LYS 300 N -2.62 0.35 0.09 2.90 2.20 -0.48 -0.25 119.74 121.94 1oxu s LYS 300 Ca 0.21 -0.01 -0.31 0.00 -0.36 0.00 0.00 55.97 55.51 1oxu s LYS 300 Cb -0.03 -0.45 -0.09 0.00 -1.51 0.00 0.00 37.83 35.75 1oxu s LYS 300 CO 0.15 -0.06 1.65 0.08 -0.36 0.00 0.00 175.35 176.80 1oxu s VAL 301 N 0.65 2.92 -0.19 4.02 1.01 0.09 -2.07 120.40 126.83 1oxu s VAL 301 Ca -0.07 0.45 -0.07 0.00 0.00 0.00 0.00 61.98 62.30 1oxu s VAL 301 Cb -0.10 -3.29 -0.21 0.00 0.00 0.00 0.00 36.38 32.78 1oxu s VAL 301 CO -0.01 0.01 0.10 1.17 0.00 0.00 0.00 175.10 176.37 1oxu n LYS 302 N 5.26 0.69 -3.51 2.72 4.81 0.13 -1.06 118.16 127.19 1oxu n LYS 302 Ca 0.16 0.27 -0.13 0.00 -0.87 0.00 0.00 58.31 57.74 1oxu n LYS 302 Cb 0.40 -1.64 -0.04 0.00 0.02 0.00 0.00 35.03 33.77 1oxu n LYS 302 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1oxu s VAL 303 N -2.52 0.00 0.02 3.15 0.11 -1.13 -4.75 120.40 115.28 1oxu s VAL 303 Ca -0.29 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 58.82 1oxu s VAL 303 Cb 0.08 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1oxu s VAL 303 CO 0.67 0.00 -0.17 -0.51 -3.33 0.00 0.00 175.10 171.76 1oxu s ILE 304 N -2.15 1.33 0.36 7.04 2.07 -1.26 -1.65 121.20 126.94 1oxu s ILE 304 Ca -0.02 -0.92 0.04 0.00 -1.41 0.00 0.00 60.65 58.33 1oxu s ILE 304 Cb -0.01 -1.15 -0.05 0.00 0.13 0.00 0.00 42.46 41.38 1oxu s ILE 304 CO -0.01 0.21 0.07 -0.83 -1.91 0.00 0.00 174.94 172.46 1oxu s GLY 305 N -0.83 2.25 -0.05 1.50 0.00 0.07 -4.98 107.32 105.28 1oxu s GLY 305 Ca 0.05 -1.82 -0.02 0.00 0.00 0.00 0.00 44.72 42.93 1oxu s GLY 305 CO 0.01 -1.85 0.10 -0.47 0.00 0.00 0.00 173.10 170.88 1oxu s TYR 306 N -3.23 -0.06 -0.17 1.90 5.04 -1.26 -0.93 117.35 118.63 1oxu s TYR 306 Ca 0.32 0.36 -0.25 0.00 -2.44 0.00 0.00 57.07 55.06 1oxu s TYR 306 Cb 0.07 -0.26 0.06 0.00 0.35 0.00 0.00 41.96 42.19 1oxu s TYR 306 CO 0.15 -0.17 0.64 -0.65 -1.34 0.00 0.00 175.55 174.17 1oxu s GLN 307 N 1.62 0.85 -1.48 4.97 1.11 -0.36 -4.95 119.66 121.42 1oxu s GLN 307 Ca -0.03 0.62 -0.11 0.00 0.01 0.00 0.00 55.36 55.85 1oxu s GLN 307 Cb -0.12 0.41 0.06 0.00 -1.01 0.00 0.00 33.01 32.35 1oxu s GLN 307 CO -0.04 -0.17 0.96 0.41 0.01 0.00 0.00 175.29 176.45 1oxu n GLY 308 N 2.04 -0.47 3.06 3.09 0.00 -1.26 -1.39 105.19 110.28 1oxu n GLY 308 Ca -0.16 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1oxu n GLY 308 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oxu n GLY 309 N -1.70 0.61 3.12 -0.02 0.00 -1.26 -4.99 105.19 100.95 1oxu n GLY 309 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 1oxu n GLY 309 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1oxu s LEU 310 N 0.00 2.42 0.23 0.99 0.05 -0.48 -4.94 118.68 116.94 1oxu s LEU 310 Ca 0.00 -0.84 -0.25 0.00 0.05 0.00 0.00 54.13 53.09 1oxu s LEU 310 Cb 0.00 -0.05 -0.09 0.00 -2.05 0.00 0.00 46.19 44.00 1oxu s LEU 310 CO 0.00 -0.40 0.84 -0.36 -0.55 0.00 0.00 176.35 175.88 1oxu s PHE 311 N -2.88 3.82 -0.33 3.48 0.40 -0.36 -1.22 117.98 120.89 1oxu s PHE 311 Ca 0.03 1.68 -0.05 0.00 -0.60 0.00 0.00 56.93 57.99 1oxu s PHE 311 Cb 0.00 -2.82 0.05 0.00 0.51 0.00 0.00 43.02 40.76 1oxu s PHE 311 CO -0.04 0.39 0.07 0.50 0.70 0.00 0.00 175.22 176.84 1oxu s ARG 312 N -1.54 2.53 -0.21 0.44 3.52 -0.11 -1.34 118.95 122.24 1oxu s ARG 312 Ca 0.42 -1.23 -0.07 0.00 -0.13 0.00 0.00 55.73 54.71 1oxu s ARG 312 Cb -0.21 -3.36 -0.04 0.00 -1.56 0.00 0.00 34.95 29.78 1oxu s ARG 312 CO 0.26 -0.66 0.07 0.42 -0.81 0.00 0.00 175.30 174.58 1oxu s ILE 313 N 1.34 4.62 -0.12 4.11 1.01 0.12 -0.75 121.20 131.52 1oxu s ILE 313 Ca -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 60.65 60.53 1oxu s ILE 313 Cb -0.20 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.13 1oxu s ILE 313 CO 0.01 0.40 -0.07 -0.89 0.00 0.00 0.00 174.94 174.39 1oxu s THR 314 N 0.91 3.64 0.26 2.92 2.01 -0.66 -1.31 115.64 123.41 1oxu s THR 314 Ca 0.04 -0.47 0.03 0.00 0.31 0.00 0.00 61.69 61.59 1oxu s THR 314 Cb -0.14 -2.54 -0.05 0.00 0.01 0.00 0.00 72.50 69.78 1oxu s THR 314 CO 0.03 0.54 0.05 0.27 -0.69 0.00 0.00 174.62 174.82 1oxu s ILE 315 N -0.09 0.86 0.12 1.82 -4.36 -0.22 0.19 121.20 119.52 1oxu s ILE 315 Ca 0.01 -2.01 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 1oxu s ILE 315 Cb -0.13 -2.56 -0.04 0.00 1.25 0.00 0.00 42.46 40.98 1oxu s ILE 315 CO 0.03 -0.13 -0.12 0.42 0.24 0.00 0.00 174.94 175.38 1oxu s THR 316 N -3.54 1.21 0.82 8.37 -4.23 -0.88 -1.74 115.64 115.66 1oxu s THR 316 Ca 0.34 -1.76 -0.12 0.00 -1.18 0.00 0.00 61.69 58.97 1oxu s THR 316 Cb 0.07 -1.54 0.09 0.00 1.34 0.00 0.00 72.50 72.46 1oxu s THR 316 CO 0.12 -0.51 1.15 -2.84 -0.54 0.00 0.00 174.62 172.00 1oxu s PRO 317 N -2.89 1.64 0.56 3.99 0.02 -1.26 -1.38 135.00 135.69 1oxu s PRO 317 Ca 0.09 1.54 0.29 0.00 0.02 0.00 0.00 61.00 62.94 1oxu s PRO 317 Cb -0.03 -1.80 1.47 0.00 0.02 0.00 0.00 34.50 34.16 1oxu s PRO 317 CO 0.02 -2.17 1.92 -0.07 -0.33 0.00 0.00 177.00 176.37 1oxu h LEU 318 N -1.20 0.00 -5.03 -5.54 3.38 -1.88 -3.18 115.31 101.85 1oxu h LEU 318 Ca -0.45 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.06 1oxu h LEU 318 Cb 1.27 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.61 1oxu h LEU 318 CO 0.46 0.00 -1.01 0.47 0.09 0.00 0.00 178.44 178.45 1oxu n ASP 319 N -4.02 2.57 -3.64 -0.43 8.00 -1.26 -4.93 116.55 112.85 1oxu n ASP 319 Ca 0.11 -3.13 0.00 0.00 0.71 0.00 0.00 54.79 52.48 1oxu n ASP 319 Cb 0.73 -0.53 0.01 0.00 -0.02 0.00 0.00 41.12 41.32 1oxu n ASP 319 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1oxu s SER 320 N -3.17 -0.03 0.00 -2.24 1.04 -1.20 -4.46 113.70 103.63 1oxu s SER 320 Ca 0.37 -0.33 0.12 0.00 0.48 0.00 0.00 55.95 56.59 1oxu s SER 320 Cb 0.41 0.28 0.29 0.00 0.10 0.00 0.00 66.02 67.10 1oxu s SER 320 CO -0.06 -0.54 1.20 -0.62 0.98 0.00 0.00 173.24 174.20 1oxu n GLU 321 N -0.69 2.40 -2.00 4.02 1.02 -1.26 -4.45 120.64 119.68 1oxu n GLU 321 Ca -0.02 -1.93 -0.41 0.00 -0.02 0.00 0.00 57.16 54.77 1oxu n GLU 321 Cb 0.60 -1.29 -0.02 0.00 -0.02 0.00 0.00 31.44 30.72 1oxu n GLU 321 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1oxu s GLU 322 N -1.01 4.26 0.11 3.49 0.41 -1.26 -5.00 118.70 119.71 1oxu s GLU 322 Ca 0.24 2.35 0.04 0.00 -0.41 0.00 0.00 54.97 57.18 1oxu s GLU 322 Cb 0.13 -3.04 -0.04 0.00 -1.78 0.00 0.00 34.13 29.40 1oxu s GLU 322 CO 0.17 -0.34 0.09 -1.21 -0.49 0.00 0.00 175.26 173.49 1oxu s GLU 323 N -1.64 2.85 -0.06 1.61 2.02 -1.26 -4.09 118.70 118.13 1oxu s GLU 323 Ca 0.52 -0.78 -0.02 0.00 0.02 0.00 0.00 54.97 54.71 1oxu s GLU 323 Cb -0.42 -2.67 0.04 0.00 0.10 0.00 0.00 34.13 31.17 1oxu s GLU 323 CO 0.55 0.53 0.11 0.42 0.02 0.00 0.00 175.26 176.88 1oxu s ILE 324 N -1.53 -0.13 0.25 -1.63 1.01 -0.71 -4.74 121.20 113.72 1oxu s ILE 324 Ca 0.30 0.29 0.10 0.00 0.00 0.00 0.00 60.65 61.34 1oxu s ILE 324 Cb -0.11 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 42.11 1oxu s ILE 324 CO 0.22 0.12 -0.07 0.72 0.00 0.00 0.00 174.94 175.93 1oxu s PHE 325 N 1.70 2.59 0.20 3.97 -0.12 -1.26 -1.06 117.98 123.99 1oxu s PHE 325 Ca -0.03 -0.25 -0.21 0.00 -0.05 0.00 0.00 56.93 56.40 1oxu s PHE 325 Cb -0.12 -1.18 0.05 0.00 -0.63 0.00 0.00 43.02 41.14 1oxu s PHE 325 CO -0.05 0.61 0.60 -0.08 -0.05 0.00 0.00 175.22 176.26 1oxu s THR 326 N -2.19 0.01 0.03 -4.49 -1.32 -0.43 -4.42 115.64 102.83 1oxu s THR 326 Ca 0.29 -0.45 0.05 0.00 -1.21 0.00 0.00 61.69 60.37 1oxu s THR 326 Cb -0.07 -1.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1oxu s THR 326 CO 0.17 -0.04 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.13 1oxu s TYR 327 N -3.82 2.77 0.12 9.09 1.51 -1.26 0.10 117.35 125.86 1oxu s TYR 327 Ca 0.05 -0.12 -0.22 0.00 -1.01 0.00 0.00 57.07 55.77 1oxu s TYR 327 Cb -0.02 -1.53 0.06 0.00 -0.11 0.00 0.00 41.96 40.35 1oxu s TYR 327 CO -0.06 0.35 0.54 0.45 -1.11 0.00 0.00 175.55 175.72 1oxu s SER 328 N -1.58 -0.47 0.14 2.29 0.15 -0.45 -4.98 113.70 108.80 1oxu s SER 328 Ca 0.17 -0.02 0.25 0.00 0.70 0.00 0.00 55.95 57.06 1oxu s SER 328 Cb -0.11 0.55 0.94 0.00 -1.71 0.00 0.00 66.02 65.69 1oxu s SER 328 CO 0.08 -0.88 1.78 0.47 1.20 0.00 0.00 173.24 175.89 1oxu n ASP 329 N -0.15 0.49 -4.20 5.45 9.92 -1.26 -1.23 116.55 125.58 1oxu n ASP 329 Ca -0.17 0.56 -0.25 0.00 -0.53 0.00 0.00 54.79 54.41 1oxu n ASP 329 Cb 0.63 -0.69 -0.15 0.00 -0.64 0.00 0.00 41.12 40.28 1oxu n ASP 329 CO 0.00 0.00 0.00 -1.00 0.13 0.00 0.00 177.20 176.33 1oxu s HIS 330 N -3.10 1.64 0.30 1.24 3.76 -1.26 -4.85 115.29 113.02 1oxu s HIS 330 Ca 0.10 -0.33 -0.09 0.00 -0.15 0.00 0.00 55.06 54.59 1oxu s HIS 330 Cb 0.13 -1.02 -0.07 0.00 1.11 0.00 0.00 32.58 32.74 1oxu s HIS 330 CO 0.51 0.02 0.62 -1.25 -0.85 0.00 0.00 174.74 173.79 1oxu s PRO 331 N -0.74 3.76 -0.04 8.40 0.05 -1.26 -4.90 135.00 140.26 1oxu s PRO 331 Ca 0.07 0.27 0.03 0.00 0.05 0.00 0.00 61.00 61.41 1oxu s PRO 331 Cb -0.08 -2.57 0.01 0.00 0.05 0.00 0.00 34.50 31.91 1oxu s PRO 331 CO 0.00 0.19 -0.11 0.42 0.05 0.00 0.00 177.00 177.55 1oxu s ILE 332 N -2.04 1.01 0.42 0.56 1.01 -1.26 -5.15 121.20 115.75 1oxu s ILE 332 Ca 0.48 -0.45 -0.07 0.00 0.00 0.00 0.00 60.65 60.61 1oxu s ILE 332 Cb -0.11 -0.91 -0.05 0.00 0.01 0.00 0.00 42.46 41.41 1oxu s ILE 332 CO 0.26 0.31 0.73 -1.00 0.00 0.00 0.00 174.94 175.24 1oxu s HIS 333 N 0.36 3.51 0.34 3.97 3.76 -1.26 -4.83 115.29 121.14 1oxu s HIS 333 Ca -0.08 0.84 -0.28 0.00 -0.15 0.00 0.00 55.06 55.40 1oxu s HIS 333 Cb -0.12 -2.30 -0.12 0.00 1.11 0.00 0.00 32.58 31.15 1oxu s HIS 333 CO 0.02 -0.12 1.23 -1.13 -0.85 0.00 0.00 174.74 173.88 1oxu n SER 334 N -1.68 2.44 0.00 1.40 3.41 -1.26 -2.22 113.62 115.70 1oxu n SER 334 Ca 0.01 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 1oxu n SER 334 Cb 0.55 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 1oxu n SER 334 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oxu n GLY 335 N 0.87 2.33 3.72 5.00 0.00 -0.23 -4.99 105.19 111.90 1oxu n GLY 335 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1oxu n GLY 335 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1oxu s GLU 336 N -0.68 4.47 0.19 1.61 2.02 -0.94 -4.76 118.70 120.60 1oxu s GLU 336 Ca 0.00 1.82 -0.24 0.00 0.02 0.00 0.00 54.97 56.56 1oxu s GLU 336 Cb 0.00 -3.29 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 1oxu s GLU 336 CO 0.00 -0.17 0.78 -1.21 0.02 0.00 0.00 175.26 174.68 1oxu s GLU 337 N 0.43 4.52 0.11 1.61 2.02 -1.26 -0.73 118.70 125.39 1oxu s GLU 337 Ca 0.56 1.12 -0.03 0.00 0.02 0.00 0.00 54.97 56.65 1oxu s GLU 337 Cb -0.31 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 1oxu s GLU 337 CO 0.33 0.53 0.07 0.14 0.02 0.00 0.00 175.26 176.35 1oxu s VAL 338 N -1.24 0.13 0.10 2.63 -7.23 0.65 -4.86 120.40 110.58 1oxu s VAL 338 Ca 0.38 -1.75 -0.20 0.00 -1.81 0.00 0.00 61.98 58.59 1oxu s VAL 338 Cb -0.22 -1.82 -0.07 0.00 0.56 0.00 0.00 36.38 34.83 1oxu s VAL 338 CO 0.25 -0.60 0.61 -0.76 -0.31 0.00 0.00 175.10 174.29 1oxu s LEU 339 N -2.99 4.53 -0.22 1.32 1.43 0.75 -0.59 118.68 122.91 1oxu s LEU 339 Ca 0.17 1.34 -0.04 0.00 -1.03 0.00 0.00 54.13 54.57 1oxu s LEU 339 Cb 0.07 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.28 1oxu s LEU 339 CO -0.03 0.25 -0.03 -0.69 0.23 0.00 0.00 176.35 176.08 1oxu s VAL 340 N -1.14 3.44 0.14 -1.59 1.01 -0.26 -2.02 120.40 119.98 1oxu s VAL 340 Ca 0.31 -0.47 0.09 0.00 0.00 0.00 0.00 61.98 61.91 1oxu s VAL 340 Cb -0.20 -2.57 -0.04 0.00 0.00 0.00 0.00 36.38 33.57 1oxu s VAL 340 CO 0.21 0.42 -0.14 -0.31 0.00 0.00 0.00 175.10 175.27 1oxu s TYR 341 N 1.49 2.60 0.03 5.22 1.51 0.67 -1.52 117.35 127.35 1oxu s TYR 341 Ca 0.06 -0.23 -0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1oxu s TYR 341 Cb -0.14 -1.34 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 1oxu s TYR 341 CO -0.03 0.44 -0.03 0.14 -1.11 0.00 0.00 175.55 174.96 1oxu s VAL 342 N -1.35 0.18 -0.27 0.71 -7.23 -0.78 -0.66 120.40 110.99 1oxu s VAL 342 Ca 0.21 -1.18 -0.29 0.00 -1.81 0.00 0.00 61.98 58.91 1oxu s VAL 342 Cb -0.10 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.19 1oxu s VAL 342 CO 0.12 -0.63 1.37 -0.13 -0.31 0.00 0.00 175.10 175.52 1oxu s ARG 343 N -2.17 3.90 0.20 4.82 0.52 -0.98 -1.54 118.95 123.70 1oxu s ARG 343 Ca -0.09 1.36 -0.11 0.00 -0.52 0.00 0.00 55.73 56.37 1oxu s ARG 343 Cb -0.05 -3.91 0.13 0.00 0.52 0.00 0.00 34.95 31.64 1oxu s ARG 343 CO -0.03 -1.14 1.86 -0.22 0.02 0.00 0.00 175.30 175.78 1oxu h LYS 344 N 9.58 0.86 0.00 3.54 3.64 -1.93 -0.71 116.57 131.55 1oxu h LYS 344 Ca -0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1oxu h LYS 344 Cb 1.11 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1oxu h LYS 344 CO 1.02 0.57 0.00 -0.25 -2.27 0.00 0.00 179.45 178.52 1oxu n ASP 345 N -4.64 0.00 -0.73 4.20 8.00 -1.26 -2.74 116.55 119.39 1oxu n ASP 345 Ca 0.06 -0.17 0.10 0.00 0.71 0.00 0.00 54.79 55.49 1oxu n ASP 345 Cb 0.03 -0.14 0.07 0.00 -0.02 0.00 0.00 41.12 41.06 1oxu n ASP 345 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1oxu n LYS 346 N -1.14 1.70 -2.38 -1.24 4.01 -0.27 -4.95 118.16 113.88 1oxu n LYS 346 Ca 0.08 -1.55 -0.42 0.00 -0.51 0.00 0.00 58.31 55.91 1oxu n LYS 346 Cb 0.07 -1.37 -0.03 0.00 -0.51 0.00 0.00 35.03 33.19 1oxu n LYS 346 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1oxu s ILE 347 N -1.72 3.98 -0.00 -0.18 1.01 -1.11 -4.75 121.20 118.43 1oxu s ILE 347 Ca 0.22 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.26 1oxu s ILE 347 Cb 0.16 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 1oxu s ILE 347 CO 0.28 0.07 0.06 -0.54 0.00 0.00 0.00 174.94 174.81 1oxu s LYS 348 N 1.50 2.98 -0.09 2.79 3.01 0.06 -4.98 119.74 125.01 1oxu s LYS 348 Ca 0.59 -0.53 -0.09 0.00 -1.01 0.00 0.00 55.97 54.94 1oxu s LYS 348 Cb -0.29 -2.80 0.02 0.00 -1.01 0.00 0.00 37.83 33.75 1oxu s LYS 348 CO 0.27 0.64 0.25 0.54 0.51 0.00 0.00 175.35 177.56 1oxu s VAL 349 N -1.17 0.00 0.15 3.17 0.11 -1.26 -0.09 120.40 121.31 1oxu s VAL 349 Ca 0.22 -0.00 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 1oxu s VAL 349 Cb -0.12 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.34 1oxu s VAL 349 CO 0.13 -0.00 0.08 -0.36 -3.33 0.00 0.00 175.10 171.62 1oxu s PHE 350 N 0.13 0.97 0.15 1.54 0.40 -0.74 -4.99 117.98 115.44 1oxu s PHE 350 Ca -0.00 -1.28 -0.26 0.00 -0.60 0.00 0.00 56.93 54.79 1oxu s PHE 350 Cb -0.02 -0.51 -0.07 0.00 0.51 0.00 0.00 43.02 42.92 1oxu s PHE 350 CO 0.00 -0.55 0.81 -1.21 0.70 0.00 0.00 175.22 174.97 1oxu s GLU 351 N -4.08 4.60 0.01 0.44 2.02 -1.26 -1.41 118.70 119.02 1oxu s GLU 351 Ca 0.29 1.20 -0.22 0.00 0.02 0.00 0.00 54.97 56.26 1oxu s GLU 351 Cb 0.07 -3.29 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 1oxu s GLU 351 CO 0.05 0.48 0.66 0.21 0.02 0.00 0.00 175.26 176.68 1oxu s LYS 352 N -0.85 4.38 0.00 1.61 2.47 -1.20 -4.79 119.74 121.37 1oxu s LYS 352 Ca 0.38 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.64 1oxu s LYS 352 Cb -0.23 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 32.79 1oxu s LYS 352 CO 0.27 0.33 0.00 0.09 0.16 0.00 0.00 175.35 176.20