#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sxy n THR 3 N 0.69 0.00 -4.66 0.00 -2.24 -1.26 -4.99 114.28 101.82 1sxy n THR 3 Ca -0.02 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1sxy n THR 3 Cb 0.51 1.14 -0.13 0.00 -2.10 0.00 0.00 70.33 69.75 1sxy n THR 3 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1sxy s LYS 4 N -0.36 3.36 -0.86 -0.78 -0.14 -1.26 -5.04 119.74 114.67 1sxy s LYS 4 Ca 0.00 -0.63 -0.17 0.00 -1.36 0.00 0.00 55.97 53.81 1sxy s LYS 4 Cb 0.00 -2.69 0.15 0.00 -1.68 0.00 0.00 37.83 33.61 1sxy s LYS 4 CO 0.00 0.29 0.97 1.21 -0.76 0.00 0.00 175.35 177.05 1sxy s ASN 5 N 0.19 6.61 0.31 2.83 3.84 -1.26 -5.03 114.94 122.42 1sxy s ASN 5 Ca -0.06 -2.15 -0.29 0.00 0.21 0.00 0.00 52.86 50.57 1sxy s ASN 5 Cb -0.15 -2.33 -0.10 0.00 -0.55 0.00 0.00 41.25 38.12 1sxy s ASN 5 CO 0.04 -0.93 1.29 0.00 -2.79 0.00 0.00 177.10 174.72 1sxy s ALA 6 N 1.94 3.50 -0.17 1.71 0.00 -1.26 -4.99 121.76 122.49 1sxy s ALA 6 Ca 0.26 1.21 -0.17 0.00 0.00 0.00 0.00 51.96 53.26 1sxy s ALA 6 Cb -0.09 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1sxy s ALA 6 CO -0.07 -0.59 0.44 0.42 0.00 0.00 0.00 175.76 175.96 1sxy s ILE 7 N -0.94 5.19 0.64 0.00 -1.09 -1.26 -5.01 121.20 118.72 1sxy s ILE 7 Ca 0.50 0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 59.60 1sxy s ILE 7 Cb -0.39 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 36.70 1sxy s ILE 7 CO 0.50 0.28 1.11 0.00 -1.23 0.00 0.00 174.94 175.59 1sxy s ALA 8 N 1.03 2.53 0.24 9.38 0.00 -1.26 -4.37 121.76 129.31 1sxy s ALA 8 Ca 0.22 0.57 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 1sxy s ALA 8 Cb -0.15 -3.32 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1sxy s ALA 8 CO 0.09 -1.16 1.50 0.94 0.00 0.00 0.00 175.76 177.13 1sxy n GLN 9 N -2.22 2.26 -1.83 0.00 7.27 -0.23 -4.91 117.38 117.71 1sxy n GLN 9 Ca 0.10 0.81 -0.42 0.00 0.07 0.00 0.00 57.00 57.56 1sxy n GLN 9 Cb 0.52 -2.52 -0.03 0.00 2.41 0.00 0.00 30.24 30.62 1sxy n GLN 9 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1sxy s THR 10 N 0.19 2.54 -0.89 1.69 2.01 -1.26 -2.33 115.64 117.59 1sxy s THR 10 Ca 0.69 0.26 0.00 0.00 0.31 0.00 0.00 61.69 62.95 1sxy s THR 10 Cb -0.61 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 68.73 1sxy s THR 10 CO 0.46 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 1sxy n GLY 11 N 3.96 0.51 3.60 4.40 0.00 -1.26 -4.95 105.19 111.46 1sxy n GLY 11 Ca 0.16 -0.55 -0.49 0.00 0.00 0.00 0.00 46.02 45.13 1sxy n GLY 11 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1sxy n PHE 12 N -3.40 1.56 -3.40 1.61 7.35 -0.98 -4.91 117.46 115.28 1sxy n PHE 12 Ca -0.10 0.60 -0.45 0.00 -0.76 0.00 0.00 57.45 56.74 1sxy n PHE 12 Cb 0.45 -2.34 -0.04 0.00 0.35 0.00 0.00 39.48 37.89 1sxy n PHE 12 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1sxy s ASN 13 N 0.30 6.30 0.21 -2.13 3.84 -1.26 -4.94 114.94 117.25 1sxy s ASN 13 Ca 0.77 -2.39 -0.08 0.00 0.21 0.00 0.00 52.86 51.38 1sxy s ASN 13 Cb -0.85 -2.14 0.14 0.00 -0.55 0.00 0.00 41.25 37.85 1sxy s ASN 13 CO 0.49 -0.64 1.73 0.07 -2.79 0.00 0.00 177.10 175.96 1sxy h LYS 14 N 8.06 1.12 -0.21 0.43 2.10 -2.00 -2.58 116.57 123.50 1sxy h LYS 14 Ca -0.05 -0.27 -0.10 0.00 -2.00 0.00 0.00 60.65 58.23 1sxy h LYS 14 Cb 1.05 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1sxy h LYS 14 CO 0.83 0.99 -0.31 -0.44 -2.00 0.00 0.00 179.45 178.52 1sxy h ASP 15 N 1.06 0.43 -0.34 7.07 3.32 -1.92 0.28 116.42 126.32 1sxy h ASP 15 Ca 0.22 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 1sxy h ASP 15 Cb 0.37 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 1sxy h ASP 15 CO 0.00 0.72 -0.19 0.11 -1.72 0.00 0.00 179.24 178.17 1sxy h LYS 16 N 0.36 0.73 -0.21 3.56 1.57 -1.96 -3.16 116.57 117.47 1sxy h LYS 16 Ca 0.05 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1sxy h LYS 16 Cb 0.73 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.02 1sxy h LYS 16 CO 0.06 0.94 -0.05 -0.92 -0.57 0.00 0.00 179.45 178.90 1sxy h TYR 17 N 0.51 0.45 -1.53 -1.35 3.20 -1.19 -3.27 116.97 113.78 1sxy h TYR 17 Ca 0.07 -0.10 -0.74 0.00 3.14 0.00 0.00 58.73 61.11 1sxy h TYR 17 Cb 0.74 -0.11 -0.18 0.00 1.54 0.00 0.00 36.73 38.71 1sxy h TYR 17 CO 0.06 0.65 1.68 1.19 -1.64 0.00 0.00 178.16 180.10 1sxy n PHE 18 N -4.61 2.56 0.59 -3.82 3.72 0.06 -4.64 117.46 111.32 1sxy n PHE 18 Ca -0.05 -2.61 0.12 0.00 -0.05 0.00 0.00 57.45 54.86 1sxy n PHE 18 Cb 0.29 -1.55 0.20 0.00 -0.94 0.00 0.00 39.48 37.47 1sxy n PHE 18 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1sxy n ASN 19 N 0.93 3.21 0.00 4.37 6.94 -1.12 -3.80 115.26 125.80 1sxy n ASN 19 Ca 0.56 -1.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.14 1sxy n ASN 19 Cb 0.28 -0.16 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1sxy n ASN 19 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1sxy n GLY 20 N 1.44 0.82 3.99 4.83 0.00 0.33 -4.95 105.19 111.65 1sxy n GLY 20 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.97 1sxy n GLY 20 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1sxy s ASP 21 N -2.82 4.59 -0.01 1.61 2.15 -1.24 -4.69 116.67 116.25 1sxy s ASP 21 Ca 0.00 -0.34 -0.11 0.00 0.43 0.00 0.00 52.55 52.53 1sxy s ASP 21 Cb 0.00 -0.15 -0.05 0.00 -0.30 0.00 0.00 42.92 42.42 1sxy s ASP 21 CO 0.00 -1.68 0.33 -0.69 -0.17 0.00 0.00 175.17 172.96 1sxy s VAL 22 N -3.03 5.19 -0.07 1.11 1.01 -1.26 -2.72 120.40 120.62 1sxy s VAL 22 Ca 0.64 0.54 0.04 0.00 0.00 0.00 0.00 61.98 63.21 1sxy s VAL 22 Cb -0.06 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.69 1sxy s VAL 22 CO 0.43 0.51 -0.21 0.26 0.00 0.00 0.00 175.10 176.08 1sxy s TRP 23 N -1.15 2.55 -0.13 5.22 0.52 0.61 -4.63 118.94 121.93 1sxy s TRP 23 Ca 0.24 -0.67 -0.06 0.00 0.02 0.00 0.00 56.10 55.63 1sxy s TRP 23 Cb -0.15 -1.66 -0.04 0.00 -1.15 0.00 0.00 33.47 30.48 1sxy s TRP 23 CO 0.12 -0.18 0.07 0.71 0.02 0.00 0.00 176.95 177.70 1sxy s TYR 24 N -0.10 3.35 -0.09 -1.98 2.02 -0.22 -0.95 117.35 119.38 1sxy s TYR 24 Ca -0.05 0.28 -0.30 0.00 -0.37 0.00 0.00 57.07 56.64 1sxy s TYR 24 Cb -0.14 -1.94 -0.03 0.00 -0.40 0.00 0.00 41.96 39.45 1sxy s TYR 24 CO 0.04 0.46 1.27 0.08 -1.57 0.00 0.00 175.55 175.83 1sxy s VAL 25 N -0.51 4.17 -0.08 0.71 1.01 -0.52 -1.29 120.40 123.89 1sxy s VAL 25 Ca 0.11 1.47 0.18 0.00 0.00 0.00 0.00 61.98 63.73 1sxy s VAL 25 Cb -0.12 -3.95 -0.26 0.00 0.00 0.00 0.00 36.38 32.05 1sxy s VAL 25 CO 0.02 -0.06 0.27 0.35 0.00 0.00 0.00 175.10 175.69 1sxy n THR 26 N 4.95 0.48 -3.66 3.92 -2.24 -0.07 -4.67 114.28 112.99 1sxy n THR 26 Ca 0.13 -0.56 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 1sxy n THR 26 Cb 0.45 -0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.43 1sxy n THR 26 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1sxy s ASP 27 N -4.57 -0.43 0.05 3.42 1.11 -1.19 -1.00 116.67 114.05 1sxy s ASP 27 Ca -0.08 0.50 -0.05 0.00 0.18 0.00 0.00 52.55 53.10 1sxy s ASP 27 Cb 0.09 0.53 -0.01 0.00 1.07 0.00 0.00 42.92 44.60 1sxy s ASP 27 CO 0.76 -0.46 0.09 -0.72 1.18 0.00 0.00 175.17 176.02 1sxy s TYR 28 N -0.99 0.24 -0.16 4.23 1.13 -0.09 -0.83 117.35 120.88 1sxy s TYR 28 Ca -0.10 -0.60 -0.03 0.00 -1.41 0.00 0.00 57.07 54.92 1sxy s TYR 28 Cb -0.03 -0.17 0.05 0.00 -1.10 0.00 0.00 41.96 40.72 1sxy s TYR 28 CO 0.06 -0.39 0.05 -1.17 -2.51 0.00 0.00 175.55 171.59 1sxy s LEU 29 N -2.35 0.73 -0.22 -3.49 2.96 -0.02 -0.39 118.68 115.90 1sxy s LEU 29 Ca -0.02 -0.61 -0.15 0.00 -0.22 0.00 0.00 54.13 53.13 1sxy s LEU 29 Cb 0.01 -0.42 -0.04 0.00 0.50 0.00 0.00 46.19 46.24 1sxy s LEU 29 CO -0.06 -0.31 0.36 0.54 -1.32 0.00 0.00 176.35 175.56 1sxy s ASN 30 N 2.00 6.36 0.38 3.68 4.22 -1.26 -0.81 114.94 129.50 1sxy s ASN 30 Ca 0.01 0.42 0.19 0.00 -2.14 0.00 0.00 52.86 51.34 1sxy s ASN 30 Cb -0.16 -2.21 0.68 0.00 1.28 0.00 0.00 41.25 40.84 1sxy s ASN 30 CO -0.08 -0.08 1.73 -0.07 -2.04 0.00 0.00 177.10 176.57 1sxy h LEU 31 N 7.79 0.00 -9.46 3.54 3.38 -1.50 -3.44 115.31 115.62 1sxy h LEU 31 Ca -0.35 0.00 -0.62 0.00 0.09 0.00 0.00 57.88 57.00 1sxy h LEU 31 Cb 1.16 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.83 1sxy h LEU 31 CO 0.70 0.37 -0.39 -1.61 0.09 0.00 0.00 178.44 177.60 1sxy s GLU 32 N -3.62 3.93 0.27 1.13 2.02 -1.26 -5.01 118.70 116.17 1sxy s GLU 32 Ca 0.00 0.01 -0.30 0.00 0.02 0.00 0.00 54.97 54.70 1sxy s GLU 32 Cb 0.11 -3.32 -0.11 0.00 0.10 0.00 0.00 34.13 30.91 1sxy s GLU 32 CO 0.69 0.49 1.58 -1.25 0.02 0.00 0.00 175.26 176.79 1sxy s PRO 33 N -0.27 4.15 -1.82 0.39 0.04 -1.26 -2.75 135.00 133.48 1sxy s PRO 33 Ca 0.15 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1sxy s PRO 33 Cb -0.13 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1sxy s PRO 33 CO 0.04 -0.61 0.00 -0.25 0.04 0.00 0.00 177.00 176.23 1sxy n ASP 34 N 2.47 -5.06 0.02 6.66 10.43 -1.26 -4.86 116.55 124.95 1sxy n ASP 34 Ca 0.09 0.42 -0.02 0.00 2.57 0.00 0.00 54.79 57.85 1sxy n ASP 34 Cb 0.38 -4.07 0.25 0.00 1.84 0.00 0.00 41.12 39.51 1sxy n ASP 34 CO 0.00 0.00 0.00 0.44 -1.07 0.00 0.00 177.20 176.57 1sxy h ASP 35 N 0.00 0.45 -4.55 -2.24 3.45 -1.91 -3.45 116.42 108.18 1sxy h ASP 35 Ca -0.35 -0.13 -0.26 0.00 0.43 0.00 0.00 57.03 56.72 1sxy h ASP 35 Cb 1.12 -0.12 -0.17 0.00 -0.56 0.00 0.00 39.33 39.60 1sxy h ASP 35 CO 0.51 0.65 -0.71 0.68 -1.57 0.00 0.00 179.24 178.80 1sxy s VAL 36 N -4.64 0.75 0.80 -1.35 -7.23 -1.26 -5.06 120.40 102.41 1sxy s VAL 36 Ca -0.07 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.27 1sxy s VAL 36 Cb 0.14 -1.41 0.08 0.00 0.56 0.00 0.00 36.38 35.75 1sxy s VAL 36 CO 0.78 -0.70 1.15 -2.84 -0.31 0.00 0.00 175.10 173.18 1sxy s PRO 37 N -3.15 1.82 0.08 4.82 0.02 -1.26 -4.94 135.00 132.39 1sxy s PRO 37 Ca 0.06 1.52 0.28 0.00 0.02 0.00 0.00 61.00 62.88 1sxy s PRO 37 Cb 0.00 -1.82 1.01 0.00 0.02 0.00 0.00 34.50 33.71 1sxy s PRO 37 CO -0.02 -2.03 1.82 1.63 -0.33 0.00 0.00 177.00 178.07 1sxy n LYS 38 N -3.42 0.11 -4.26 5.54 4.01 -1.26 -4.57 118.16 114.30 1sxy n LYS 38 Ca 0.12 0.08 -0.31 0.00 -0.51 0.00 0.00 58.31 57.69 1sxy n LYS 38 Cb 0.52 -1.62 -0.16 0.00 -0.51 0.00 0.00 35.03 33.25 1sxy n LYS 38 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1sxy s ARG 39 N -3.04 2.56 0.17 1.97 0.52 -1.26 -4.96 118.95 114.91 1sxy s ARG 39 Ca 0.12 -0.67 -0.20 0.00 -0.52 0.00 0.00 55.73 54.46 1sxy s ARG 39 Cb 0.16 -2.22 0.05 0.00 0.52 0.00 0.00 34.95 33.47 1sxy s ARG 39 CO 0.57 -0.15 0.56 -0.47 0.02 0.00 0.00 175.30 175.83 1sxy s TYR 40 N 1.21 -0.35 -0.03 -0.53 6.14 -1.26 -4.46 117.35 118.07 1sxy s TYR 40 Ca 0.00 0.07 -0.06 0.00 0.64 0.00 0.00 57.07 57.72 1sxy s TYR 40 Cb -0.14 0.48 0.01 0.00 0.42 0.00 0.00 41.96 42.73 1sxy s TYR 40 CO -0.08 -0.87 0.14 0.00 0.64 0.00 0.00 175.55 175.38 1sxy s ALA 42 N -0.69 -1.08 0.19 0.00 0.00 -1.26 -1.16 121.76 117.76 1sxy s ALA 42 Ca -0.08 0.56 -0.16 0.00 0.00 0.00 0.00 51.96 52.28 1sxy s ALA 42 Cb -0.05 0.13 0.02 0.00 0.00 0.00 0.00 23.12 23.22 1sxy s ALA 42 CO 0.01 -0.34 0.48 0.00 0.00 0.00 0.00 175.76 175.92 1sxy s ALA 43 N -1.58 -0.77 0.07 0.00 0.00 -0.71 -1.44 121.76 117.33 1sxy s ALA 43 Ca -0.11 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.40 1sxy s ALA 43 Cb -0.03 0.85 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1sxy s ALA 43 CO 0.04 -0.78 0.24 -0.48 0.00 0.00 0.00 175.76 174.78 1sxy s LEU 44 N -2.89 1.18 0.11 0.00 2.34 -0.13 -1.00 118.68 118.28 1sxy s LEU 44 Ca 0.11 -0.44 0.07 0.00 0.06 0.00 0.00 54.13 53.93 1sxy s LEU 44 Cb -0.00 1.17 -0.04 0.00 -0.56 0.00 0.00 46.19 46.76 1sxy s LEU 44 CO -0.02 -0.67 -0.09 0.00 -1.06 0.00 0.00 176.35 174.50 1sxy s ALA 45 N -3.23 2.97 -0.05 1.48 0.00 0.10 -0.28 121.76 122.74 1sxy s ALA 45 Ca -0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 51.96 50.69 1sxy s ALA 45 Cb 0.02 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.27 1sxy s ALA 45 CO -0.08 0.64 0.11 0.00 0.00 0.00 0.00 175.76 176.43 1sxy s ALA 46 N -1.24 -0.12 0.03 0.00 0.00 -1.10 -1.06 121.76 118.27 1sxy s ALA 46 Ca 0.22 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.42 1sxy s ALA 46 Cb -0.11 -0.46 0.10 0.00 0.00 0.00 0.00 23.12 22.65 1sxy s ALA 46 CO 0.14 -0.22 1.20 0.20 0.00 0.00 0.00 175.76 177.08 1sxy s GLY 47 N 1.37 -0.32 -0.16 0.00 0.00 -0.70 -0.51 107.32 107.00 1sxy s GLY 47 Ca -0.06 0.46 -0.12 0.00 0.00 0.00 0.00 44.72 45.00 1sxy s GLY 47 CO -0.05 0.63 0.22 -1.59 0.00 0.00 0.00 173.10 172.31 1sxy s THR 48 N -2.58 5.35 -0.16 0.90 2.01 -1.25 -0.64 115.64 119.27 1sxy s THR 48 Ca 0.15 0.40 -0.00 0.00 0.31 0.00 0.00 61.69 62.55 1sxy s THR 48 Cb 0.03 -3.55 0.04 0.00 0.01 0.00 0.00 72.50 69.03 1sxy s THR 48 CO -0.02 0.45 -0.07 0.00 -0.69 0.00 0.00 174.62 174.29 1sxy s ALA 49 N 0.10 1.58 -1.44 7.40 0.00 -0.07 -4.77 121.76 124.57 1sxy s ALA 49 Ca 0.14 -0.86 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 1sxy s ALA 49 Cb -0.12 -1.11 0.03 0.00 0.00 0.00 0.00 23.12 21.91 1sxy s ALA 49 CO 0.03 -0.70 0.56 0.45 0.00 0.00 0.00 175.76 176.10 1sxy n SER 50 N 4.84 -1.25 0.00 0.00 2.88 -1.26 -1.30 113.62 117.53 1sxy n SER 50 Ca -0.13 -0.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1sxy n SER 50 Cb 0.48 -3.25 0.00 0.00 -0.75 0.00 0.00 64.21 60.69 1sxy n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sxy n GLY 51 N -1.81 1.88 3.60 0.46 0.00 -1.26 -5.01 105.19 103.04 1sxy n GLY 51 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 1sxy n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxy s LYS 52 N -0.08 3.52 -0.13 1.61 -0.14 -0.42 -5.07 119.74 119.02 1sxy s LYS 52 Ca 0.00 -0.43 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 1sxy s LYS 52 Cb 0.00 -2.95 -0.01 0.00 -1.68 0.00 0.00 37.83 33.19 1sxy s LYS 52 CO 0.00 0.41 1.11 -1.17 -0.76 0.00 0.00 175.35 174.94 1sxy s LEU 53 N -0.07 4.21 0.08 3.17 2.96 -1.26 -0.89 118.68 126.87 1sxy s LEU 53 Ca 0.04 1.59 0.04 0.00 -0.22 0.00 0.00 54.13 55.58 1sxy s LEU 53 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1sxy s LEU 53 CO 0.02 -0.59 -0.12 -0.54 -1.32 0.00 0.00 176.35 173.80 1sxy s LYS 54 N 2.61 0.80 0.01 1.98 -0.14 0.19 -0.83 119.74 124.36 1sxy s LYS 54 Ca 0.50 -0.99 0.03 0.00 -1.36 0.00 0.00 55.97 54.14 1sxy s LYS 54 Cb -0.20 -0.68 -0.01 0.00 -1.68 0.00 0.00 37.83 35.26 1sxy s LYS 54 CO 0.15 0.14 -0.08 -1.21 -0.76 0.00 0.00 175.35 173.59 1sxy s GLU 55 N -2.03 0.62 -0.11 1.68 2.02 -0.64 -1.72 118.70 118.52 1sxy s GLU 55 Ca -0.01 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.61 1sxy s GLU 55 Cb -0.08 -0.57 -0.01 0.00 0.10 0.00 0.00 34.13 33.57 1sxy s GLU 55 CO 0.02 0.15 -0.18 0.00 0.02 0.00 0.00 175.26 175.26 1sxy s ALA 56 N -0.44 2.42 0.16 5.21 0.00 -0.22 -1.24 121.76 127.65 1sxy s ALA 56 Ca 0.01 -0.94 0.09 0.00 0.00 0.00 0.00 51.96 51.12 1sxy s ALA 56 Cb -0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 1sxy s ALA 56 CO 0.00 0.30 -0.12 -0.51 0.00 0.00 0.00 175.76 175.43 1sxy s LEU 57 N 0.22 2.90 -0.04 0.00 1.43 0.19 -0.72 118.68 122.66 1sxy s LEU 57 Ca -0.12 -0.57 0.01 0.00 -1.03 0.00 0.00 54.13 52.43 1sxy s LEU 57 Cb -0.16 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.45 1sxy s LEU 57 CO 0.06 0.13 -0.04 -0.47 0.23 0.00 0.00 176.35 176.26 1sxy s TYR 58 N -1.54 0.68 -0.02 0.29 5.04 -0.17 -1.69 117.35 119.94 1sxy s TYR 58 Ca 0.23 -0.17 0.06 0.00 -2.44 0.00 0.00 57.07 54.75 1sxy s TYR 58 Cb -0.09 -0.61 -0.02 0.00 0.35 0.00 0.00 41.96 41.59 1sxy s TYR 58 CO 0.14 -0.17 -0.20 -1.01 -1.34 0.00 0.00 175.55 172.97 1sxy s HIS 59 N 0.86 1.82 -0.13 4.97 3.76 -0.39 -1.73 115.29 124.45 1sxy s HIS 59 Ca -0.11 -0.35 -0.06 0.00 -0.15 0.00 0.00 55.06 54.39 1sxy s HIS 59 Cb -0.14 -1.17 0.06 0.00 1.11 0.00 0.00 32.58 32.44 1sxy s HIS 59 CO 0.00 -0.03 0.29 -0.47 -0.85 0.00 0.00 174.74 173.68 1sxy s TYR 60 N -0.47 -0.46 -0.42 1.40 5.04 -0.31 -1.86 117.35 120.27 1sxy s TYR 60 Ca 0.08 1.02 -0.20 0.00 -2.44 0.00 0.00 57.07 55.52 1sxy s TYR 60 Cb -0.08 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.32 1sxy s TYR 60 CO -0.01 -0.33 0.63 0.34 -1.34 0.00 0.00 175.55 174.84 1sxy s ASP 61 N 1.97 6.33 0.28 4.32 -1.08 -0.17 -1.11 116.67 127.21 1sxy s ASP 61 Ca -0.04 -0.26 0.24 0.00 -0.52 0.00 0.00 52.55 51.98 1sxy s ASP 61 Cb -0.11 -2.31 1.03 0.00 -1.46 0.00 0.00 42.92 40.06 1sxy s ASP 61 CO -0.10 -0.73 1.73 1.55 0.52 0.00 0.00 175.17 178.14 1sxy h PRO 62 N 8.79 0.00 0.02 4.34 0.13 -1.88 0.16 132.00 143.55 1sxy h PRO 62 Ca -0.26 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.57 1sxy h PRO 62 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 1sxy h PRO 62 CO 0.87 0.00 -1.68 1.63 -0.23 0.00 0.00 178.00 178.59 1sxy n LYS 63 N -2.30 0.60 0.18 0.86 4.76 -1.26 -4.51 118.16 116.48 1sxy n LYS 63 Ca 0.02 0.45 0.12 0.00 -2.87 0.00 0.00 58.31 56.03 1sxy n LYS 63 Cb 0.22 -1.68 0.12 0.00 -1.84 0.00 0.00 35.03 31.85 1sxy n LYS 63 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 1sxy h THR 64 N -0.83 0.00 0.00 -0.18 1.35 -1.96 -3.47 112.91 107.81 1sxy h THR 64 Ca -0.45 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.44 1sxy h THR 64 Cb 1.48 1.81 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1sxy h THR 64 CO -0.22 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.05 1sxy n GLN 65 N -2.92 -0.56 -1.73 4.72 6.02 0.56 -5.00 117.38 118.46 1sxy n GLN 65 Ca 0.03 0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.74 1sxy n GLN 65 Cb 0.53 -3.59 -0.02 0.00 1.02 0.00 0.00 30.24 28.18 1sxy n GLN 65 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1sxy n ASP 66 N -0.28 3.75 -3.84 1.08 2.03 -1.24 -4.76 116.55 113.29 1sxy n ASP 66 Ca 0.00 1.12 -0.14 0.00 0.52 0.00 0.00 54.79 56.29 1sxy n ASP 66 Cb 0.14 -1.56 -0.15 0.00 -0.72 0.00 0.00 41.12 38.83 1sxy n ASP 66 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1sxy s THR 67 N 0.38 0.03 -0.05 5.18 2.01 -1.26 -1.00 115.64 120.92 1sxy s THR 67 Ca 0.68 0.06 -0.26 0.00 0.31 0.00 0.00 61.69 62.49 1sxy s THR 67 Cb -0.52 -0.08 0.06 0.00 0.01 0.00 0.00 72.50 71.96 1sxy s THR 67 CO 0.43 0.05 0.58 0.72 -0.69 0.00 0.00 174.62 175.71 1sxy s PHE 68 N 0.44 -0.53 0.16 4.92 -0.71 -0.78 -5.02 117.98 116.46 1sxy s PHE 68 Ca -0.04 0.94 0.08 0.00 -1.04 0.00 0.00 56.93 56.86 1sxy s PHE 68 Cb -0.06 0.31 -0.04 0.00 -1.21 0.00 0.00 43.02 42.03 1sxy s PHE 68 CO -0.01 -0.53 -0.04 0.71 -1.34 0.00 0.00 175.22 174.00 1sxy s TYR 69 N -1.12 2.77 0.03 3.49 1.51 -1.24 -1.26 117.35 121.53 1sxy s TYR 69 Ca -0.11 -0.16 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1sxy s TYR 69 Cb -0.02 -1.36 -0.03 0.00 -0.11 0.00 0.00 41.96 40.44 1sxy s TYR 69 CO 0.08 0.50 -0.03 -0.51 -1.11 0.00 0.00 175.55 174.48 1sxy s ASP 70 N -2.77 0.30 -0.03 2.29 1.11 -0.68 -1.54 116.67 115.36 1sxy s ASP 70 Ca 0.26 -0.63 0.05 0.00 0.18 0.00 0.00 52.55 52.40 1sxy s ASP 70 Cb -0.09 0.13 -0.01 0.00 1.07 0.00 0.00 42.92 44.01 1sxy s ASP 70 CO 0.17 -0.38 -0.17 -0.69 1.18 0.00 0.00 175.17 175.28 1sxy s VAL 71 N -2.11 1.36 -0.00 -1.27 1.01 -0.41 -0.64 120.40 118.34 1sxy s VAL 71 Ca -0.10 -0.71 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 1sxy s VAL 71 Cb -0.05 -1.15 -0.00 0.00 0.00 0.00 0.00 36.38 35.18 1sxy s VAL 71 CO -0.03 0.39 0.10 -0.55 0.00 0.00 0.00 175.10 175.00 1sxy s SER 72 N -0.20 0.04 -0.14 3.32 0.15 -0.38 -1.31 113.70 115.19 1sxy s SER 72 Ca 0.02 -0.19 -0.20 0.00 0.70 0.00 0.00 55.95 56.28 1sxy s SER 72 Cb -0.09 0.19 -0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1sxy s SER 72 CO 0.01 -0.29 0.57 -0.70 1.20 0.00 0.00 173.24 174.03 1sxy s GLU 73 N -1.12 4.30 -0.02 5.44 -6.30 -1.26 -1.61 118.70 118.12 1sxy s GLU 73 Ca -0.12 0.58 -0.19 0.00 -2.50 0.00 0.00 54.97 52.74 1sxy s GLU 73 Cb -0.07 -3.50 -0.05 0.00 0.00 0.00 0.00 34.13 30.51 1sxy s GLU 73 CO 0.01 -0.02 0.53 -0.51 0.02 0.00 0.00 175.26 175.29 1sxy s LEU 74 N 1.16 4.40 0.02 2.70 1.02 -0.01 -3.85 118.68 124.12 1sxy s LEU 74 Ca 0.29 1.06 -0.01 0.00 0.02 0.00 0.00 54.13 55.49 1sxy s LEU 74 Cb -0.16 -2.81 -0.04 0.00 0.02 0.00 0.00 46.19 43.20 1sxy s LEU 74 CO 0.12 0.13 0.13 -1.10 0.02 0.00 0.00 176.35 175.65 1sxy s GLN 75 N -0.23 3.21 -0.19 1.70 -1.52 0.07 -4.63 119.66 118.06 1sxy s GLN 75 Ca 0.28 -0.46 -0.16 0.00 -1.95 0.00 0.00 55.36 53.07 1sxy s GLN 75 Cb -0.17 -2.94 -0.04 0.00 -0.22 0.00 0.00 33.01 29.64 1sxy s GLN 75 CO 0.15 0.64 0.42 0.08 -0.25 0.00 0.00 175.29 176.33 1sxy s VAL 76 N -1.31 5.18 -0.19 1.09 1.01 -1.26 -1.35 120.40 123.57 1sxy s VAL 76 Ca 0.27 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 63.01 1sxy s VAL 76 Cb -0.12 -3.75 -0.21 0.00 0.00 0.00 0.00 36.38 32.29 1sxy s VAL 76 CO 0.19 0.24 0.06 -0.62 0.00 0.00 0.00 175.10 174.97 1sxy n GLU 77 N 4.46 0.70 -3.78 2.72 -0.58 -0.11 -4.96 120.64 119.09 1sxy n GLU 77 Ca -0.08 0.19 -0.03 0.00 -0.42 0.00 0.00 57.16 56.83 1sxy n GLU 77 Cb 0.51 -1.61 -0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1sxy n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1sxy s SER 78 N -6.66 -0.10 0.08 1.62 1.04 -1.07 -5.02 113.70 103.58 1sxy s SER 78 Ca -0.28 -0.46 -0.31 0.00 0.48 0.00 0.00 55.95 55.39 1sxy s SER 78 Cb 0.08 0.45 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 1sxy s SER 78 CO 0.69 -0.86 1.78 -0.22 0.98 0.00 0.00 173.24 175.61 1sxy s LEU 79 N -3.09 4.39 0.00 2.42 2.96 -1.26 -1.30 118.68 122.80 1sxy s LEU 79 Ca 0.15 2.61 0.00 0.00 -0.22 0.00 0.00 54.13 56.68 1sxy s LEU 79 Cb -0.01 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.12 1sxy s LEU 79 CO 0.02 -0.97 0.00 0.61 -1.32 0.00 0.00 176.35 174.70 1sxy n GLY 80 N 4.20 0.79 2.89 7.98 0.00 -1.26 -4.78 105.19 115.01 1sxy n GLY 80 Ca 0.17 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 1sxy n GLY 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sxy s LYS 81 N -0.15 1.35 0.11 1.61 1.02 -0.42 -0.91 119.74 122.34 1sxy s LYS 81 Ca 0.00 -0.20 0.04 0.00 0.02 0.00 0.00 55.97 55.83 1sxy s LYS 81 Cb 0.00 -1.43 -0.04 0.00 -0.52 0.00 0.00 37.83 35.84 1sxy s LYS 81 CO 0.00 -0.24 -0.10 0.71 -0.92 0.00 0.00 175.35 174.79 1sxy s TYR 82 N 1.64 1.13 -0.09 3.18 2.02 0.03 -0.93 117.35 124.33 1sxy s TYR 82 Ca 0.03 -0.68 0.04 0.00 -0.37 0.00 0.00 57.07 56.09 1sxy s TYR 82 Cb -0.13 -0.61 -0.00 0.00 -0.40 0.00 0.00 41.96 40.83 1sxy s TYR 82 CO -0.06 0.02 -0.23 0.99 -1.57 0.00 0.00 175.55 174.70 1sxy s THR 83 N -2.68 1.94 -0.23 -0.71 2.01 -0.45 -1.31 115.64 114.22 1sxy s THR 83 Ca 0.09 -0.96 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 1sxy s THR 83 Cb -0.01 -1.68 0.06 0.00 0.01 0.00 0.00 72.50 70.88 1sxy s THR 83 CO 0.00 0.54 -0.02 0.00 -0.69 0.00 0.00 174.62 174.45 1sxy s ALA 84 N 0.30 1.67 -0.30 7.40 0.00 0.49 -0.75 121.76 130.57 1sxy s ALA 84 Ca -0.16 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 1sxy s ALA 84 Cb -0.17 -1.37 0.00 0.00 0.00 0.00 0.00 23.12 21.59 1sxy s ALA 84 CO 0.08 -1.20 0.86 -0.80 0.00 0.00 0.00 175.76 174.69 1sxy s ASN 85 N 1.53 6.74 0.07 0.00 0.01 -1.25 -1.05 114.94 121.00 1sxy s ASN 85 Ca -0.04 0.79 0.00 0.00 -0.71 0.00 0.00 52.86 52.90 1sxy s ASN 85 Cb -0.18 -2.44 -0.04 0.00 0.41 0.00 0.00 41.25 38.99 1sxy s ASN 85 CO -0.07 -0.67 0.21 0.72 -1.51 0.00 0.00 177.10 175.77 1sxy s PHE 86 N 3.11 3.50 -0.05 2.20 -0.12 -1.20 -4.29 117.98 121.14 1sxy s PHE 86 Ca 0.36 0.23 0.05 0.00 -0.05 0.00 0.00 56.93 57.52 1sxy s PHE 86 Cb -0.14 -1.75 -0.01 0.00 -0.63 0.00 0.00 43.02 40.50 1sxy s PHE 86 CO 0.13 0.58 -0.20 -1.59 -0.05 0.00 0.00 175.22 174.09 1sxy s LYS 87 N -2.55 2.04 0.02 1.99 -2.85 -0.43 -4.19 119.74 113.76 1sxy s LYS 87 Ca 0.35 -0.71 -0.30 0.00 -1.00 0.00 0.00 55.97 54.31 1sxy s LYS 87 Cb -0.13 -1.75 -0.04 0.00 -2.06 0.00 0.00 37.83 33.85 1sxy s LYS 87 CO 0.28 0.29 1.02 0.21 0.10 0.00 0.00 175.35 177.25 1sxy s LYS 88 N -0.03 4.54 0.12 1.78 2.20 -0.68 -1.29 119.74 126.38 1sxy s LYS 88 Ca -0.04 1.49 0.03 0.00 -0.36 0.00 0.00 55.97 57.10 1sxy s LYS 88 Cb -0.12 -3.43 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1sxy s LYS 88 CO 0.03 -0.08 -0.09 0.14 -0.36 0.00 0.00 175.35 174.99 1sxy s VAL 89 N 0.99 0.94 1.05 4.02 -7.23 -0.59 -0.51 120.40 119.06 1sxy s VAL 89 Ca 0.53 -1.92 -0.17 0.00 -1.81 0.00 0.00 61.98 58.61 1sxy s VAL 89 Cb -0.23 -1.67 0.23 0.00 0.56 0.00 0.00 36.38 35.27 1sxy s VAL 89 CO 0.28 -0.75 1.26 1.51 -0.31 0.00 0.00 175.10 177.09 1sxy s ASP 90 N -2.96 2.35 0.61 4.85 1.47 -0.29 -3.67 116.67 119.04 1sxy s ASP 90 Ca 0.12 0.37 0.38 0.00 1.18 0.00 0.00 52.55 54.61 1sxy s ASP 90 Cb 0.02 -0.47 2.00 0.00 -0.34 0.00 0.00 42.92 44.13 1sxy s ASP 90 CO -0.02 -3.21 2.23 0.07 0.68 0.00 0.00 175.17 174.92 1sxy h LYS 91 N -1.97 0.00 -0.17 2.11 2.10 -1.96 -1.41 116.57 115.28 1sxy h LYS 91 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1sxy h LYS 91 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1sxy h LYS 91 CO 0.36 0.02 0.00 0.09 -2.00 0.00 0.00 179.45 177.92 1sxy n ASN 92 N -3.25 2.24 0.00 7.07 5.03 -1.26 -4.78 115.26 120.31 1sxy n ASN 92 Ca -0.02 -1.78 0.00 0.00 0.87 0.00 0.00 54.58 53.65 1sxy n ASN 92 Cb 0.15 -0.10 0.00 0.00 -1.02 0.00 0.00 39.78 38.80 1sxy n ASN 92 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1sxy n GLY 93 N 1.26 0.75 3.73 7.41 0.00 -0.53 -5.01 105.19 112.80 1sxy n GLY 93 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1sxy n GLY 93 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxy s ASN 94 N -2.52 7.09 0.02 1.61 0.01 -1.26 -4.78 114.94 115.10 1sxy s ASN 94 Ca 0.00 2.13 -0.30 0.00 -0.71 0.00 0.00 52.86 53.98 1sxy s ASN 94 Cb 0.00 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.02 1sxy s ASN 94 CO 0.00 -0.42 1.26 -0.69 -1.51 0.00 0.00 177.10 175.74 1sxy s VAL 95 N 0.47 3.96 -0.24 1.60 1.01 -1.26 -1.14 120.40 124.80 1sxy s VAL 95 Ca 0.56 1.37 0.01 0.00 0.00 0.00 0.00 61.98 63.91 1sxy s VAL 95 Cb -0.31 -3.88 -0.15 0.00 0.00 0.00 0.00 36.38 32.04 1sxy s VAL 95 CO 0.33 0.05 -0.22 0.29 0.00 0.00 0.00 175.10 175.55 1sxy n LYS 96 N 4.58 0.60 -3.71 2.72 5.02 0.33 -4.93 118.16 122.77 1sxy n LYS 96 Ca 0.11 0.15 -0.24 0.00 -2.02 0.00 0.00 58.31 56.31 1sxy n LYS 96 Cb 0.45 -1.48 -0.17 0.00 -0.02 0.00 0.00 35.03 33.82 1sxy n LYS 96 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1sxy s VAL 97 N -2.48 0.19 0.82 -0.18 1.01 -0.87 -4.99 120.40 113.90 1sxy s VAL 97 Ca -0.33 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.55 1sxy s VAL 97 Cb 0.09 -0.55 0.09 0.00 0.00 0.00 0.00 36.38 36.01 1sxy s VAL 97 CO 0.55 0.04 1.11 0.00 0.00 0.00 0.00 175.10 176.79 1sxy s ALA 98 N 2.03 1.99 0.31 5.51 0.00 -1.26 -1.68 121.76 128.66 1sxy s ALA 98 Ca 0.03 0.38 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1sxy s ALA 98 Cb -0.14 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.52 1sxy s ALA 98 CO -0.06 -2.10 1.28 0.28 0.00 0.00 0.00 175.76 175.16 1sxy n VAL 99 N -3.76 1.74 -3.68 0.00 0.31 -1.26 -4.81 118.33 106.87 1sxy n VAL 99 Ca 0.10 -0.43 -0.15 0.00 -0.01 0.00 0.00 64.34 63.85 1sxy n VAL 99 Cb 0.53 -1.47 -0.08 0.00 -0.91 0.00 0.00 33.84 31.91 1sxy n VAL 99 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1sxy s THR 100 N -0.83 0.03 0.18 2.52 -1.32 -1.26 -5.08 115.64 109.89 1sxy s THR 100 Ca 0.59 -0.26 -0.32 0.00 -1.21 0.00 0.00 61.69 60.48 1sxy s THR 100 Cb -0.61 -0.74 -0.15 0.00 -1.51 0.00 0.00 72.50 69.49 1sxy s THR 100 CO 0.59 -0.15 1.18 0.00 -2.21 0.00 0.00 174.62 174.03 1sxy n ALA 101 N 1.37 -0.59 -0.02 11.08 0.00 -1.26 -1.24 120.51 129.85 1sxy n ALA 101 Ca -0.20 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1sxy n ALA 101 Cb 0.56 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.97 1sxy n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sxy n GLY 102 N 1.99 2.14 3.30 0.00 0.00 -1.26 -4.91 105.19 106.45 1sxy n GLY 102 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.71 1sxy n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1sxy s ASN 103 N -3.44 6.34 0.09 1.61 -0.87 -0.37 -3.44 114.94 114.86 1sxy s ASN 103 Ca 0.00 -2.20 -0.15 0.00 -1.57 0.00 0.00 52.86 48.94 1sxy s ASN 103 Cb 0.00 -2.18 0.03 0.00 -0.02 0.00 0.00 41.25 39.08 1sxy s ASN 103 CO 0.00 -0.71 0.35 -0.72 -2.57 0.00 0.00 177.10 173.45 1sxy s TYR 104 N 0.94 -0.14 0.14 2.20 1.13 -0.46 -3.22 117.35 117.94 1sxy s TYR 104 Ca 0.10 -0.13 0.09 0.00 -1.41 0.00 0.00 57.07 55.73 1sxy s TYR 104 Cb -0.21 0.17 -0.04 0.00 -1.10 0.00 0.00 41.96 40.78 1sxy s TYR 104 CO -0.02 -0.62 -0.22 1.52 -2.51 0.00 0.00 175.55 173.69 1sxy s TYR 105 N -3.39 2.00 0.26 -3.49 1.13 -0.21 -0.75 117.35 112.91 1sxy s TYR 105 Ca 0.01 -0.41 -0.00 0.00 -1.41 0.00 0.00 57.07 55.26 1sxy s TYR 105 Cb 0.02 -1.05 -0.04 0.00 -1.10 0.00 0.00 41.96 39.78 1sxy s TYR 105 CO -0.09 0.31 0.46 0.95 -2.51 0.00 0.00 175.55 174.67 1sxy s THR 106 N -1.41 5.16 -0.16 -3.49 -4.23 -0.46 -0.38 115.64 110.66 1sxy s THR 106 Ca 0.13 -0.43 -0.06 0.00 -1.18 0.00 0.00 61.69 60.15 1sxy s THR 106 Cb -0.09 -3.79 0.08 0.00 1.34 0.00 0.00 72.50 70.04 1sxy s THR 106 CO 0.06 -0.34 0.33 0.12 -0.54 0.00 0.00 174.62 174.25 1sxy s PHE 107 N -2.06 -0.59 -0.11 3.99 5.36 -0.43 -2.73 117.98 121.42 1sxy s PHE 107 Ca 0.39 1.17 0.02 0.00 -0.96 0.00 0.00 56.93 57.55 1sxy s PHE 107 Cb -0.10 0.10 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1sxy s PHE 107 CO 0.31 -0.43 -0.15 0.99 -1.46 0.00 0.00 175.22 174.48 1sxy s THR 108 N 2.50 1.52 -0.53 0.12 2.01 -0.14 -0.79 115.64 120.33 1sxy s THR 108 Ca 0.01 -0.66 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 1sxy s THR 108 Cb -0.12 -1.39 0.06 0.00 0.01 0.00 0.00 72.50 71.06 1sxy s THR 108 CO -0.11 0.45 0.73 -0.69 -0.69 0.00 0.00 174.62 174.31 1sxy s VAL 109 N 0.98 4.71 0.07 3.82 1.01 -0.09 -1.23 120.40 129.67 1sxy s VAL 109 Ca -0.07 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1sxy s VAL 109 Cb -0.15 -4.39 -0.15 0.00 0.00 0.00 0.00 36.38 31.69 1sxy s VAL 109 CO -0.02 -0.94 1.32 0.24 0.00 0.00 0.00 175.10 175.71 1sxy h MET 110 N 9.12 0.00 -2.24 2.72 2.86 -1.14 -0.60 114.93 125.66 1sxy h MET 110 Ca -0.27 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.30 1sxy h MET 110 Cb 1.09 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 32.53 1sxy h MET 110 CO 1.02 0.88 0.03 -0.47 1.06 0.00 0.00 176.91 179.43 1sxy s TYR 111 N -2.79 -0.65 -0.09 -0.22 5.04 -1.05 -3.09 117.35 114.49 1sxy s TYR 111 Ca 0.02 1.51 -0.23 0.00 -2.44 0.00 0.00 57.07 55.93 1sxy s TYR 111 Cb 0.10 0.25 0.05 0.00 0.35 0.00 0.00 41.96 42.71 1sxy s TYR 111 CO 0.80 -0.38 0.53 0.00 -1.34 0.00 0.00 175.55 175.17 1sxy s ALA 112 N 0.00 -1.36 0.00 3.97 0.00 -1.26 -1.23 121.76 121.89 1sxy s ALA 112 Ca -0.02 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.05 1sxy s ALA 112 Cb -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 23.12 22.80 1sxy s ALA 112 CO 0.02 -0.30 0.00 -0.40 0.00 0.00 0.00 175.76 175.08 1sxy n ASP 113 N 1.63 0.37 0.23 0.00 3.85 -0.32 -4.96 116.55 117.35 1sxy n ASP 113 Ca -0.18 -0.74 0.08 0.00 -0.71 0.00 0.00 54.79 53.24 1sxy n ASP 113 Cb 0.56 0.00 0.57 0.00 -1.35 0.00 0.00 41.12 40.90 1sxy n ASP 113 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 1sxy h ASP 114 N 0.00 0.00 0.00 -1.12 3.32 -2.02 -3.32 116.42 113.29 1sxy h ASP 114 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sxy h ASP 114 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1sxy h ASP 114 CO 0.00 0.20 -1.00 -1.20 -1.72 0.00 0.00 179.24 175.52 1sxy n SER 115 N -3.90 2.34 -3.93 6.45 7.64 -1.26 -4.86 113.62 116.10 1sxy n SER 115 Ca -0.02 -0.22 -0.08 0.00 1.01 0.00 0.00 58.87 59.56 1sxy n SER 115 Cb 0.29 1.22 -0.08 0.00 -1.01 0.00 0.00 64.21 64.64 1sxy n SER 115 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1sxy s SER 116 N -2.45 0.22 0.14 6.43 1.04 -1.25 -1.15 113.70 116.69 1sxy s SER 116 Ca -0.01 -0.77 -0.23 0.00 0.48 0.00 0.00 55.95 55.42 1sxy s SER 116 Cb 0.05 0.30 0.07 0.00 0.10 0.00 0.00 66.02 66.54 1sxy s SER 116 CO 0.30 -0.70 0.59 0.00 0.98 0.00 0.00 173.24 174.41 1sxy s ALA 117 N -3.89 -1.57 -0.12 5.32 0.00 -0.80 -1.18 121.76 119.52 1sxy s ALA 117 Ca 0.06 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.56 1sxy s ALA 117 Cb 0.06 0.81 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1sxy s ALA 117 CO -0.10 -0.73 -0.15 -1.17 0.00 0.00 0.00 175.76 173.61 1sxy s LEU 118 N -2.63 1.74 0.19 0.00 2.96 -0.36 -0.50 118.68 120.07 1sxy s LEU 118 Ca 0.00 -0.46 0.09 0.00 -0.22 0.00 0.00 54.13 53.54 1sxy s LEU 118 Cb -0.01 -1.15 -0.04 0.00 0.50 0.00 0.00 46.19 45.49 1sxy s LEU 118 CO -0.11 -0.00 -0.18 0.27 -1.32 0.00 0.00 176.35 175.01 1sxy s ILE 119 N 1.15 1.90 0.03 6.68 -5.25 -0.34 -0.74 121.20 124.62 1sxy s ILE 119 Ca -0.03 -2.07 0.07 0.00 -0.99 0.00 0.00 60.65 57.64 1sxy s ILE 119 Cb -0.14 -1.97 -0.03 0.00 2.95 0.00 0.00 42.46 43.27 1sxy s ILE 119 CO -0.05 -0.40 -0.19 -2.28 -1.79 0.00 0.00 174.94 170.23 1sxy s HIS 120 N -2.35 2.53 -0.02 1.37 5.65 -0.37 -1.04 115.29 121.06 1sxy s HIS 120 Ca 0.20 -0.27 -0.04 0.00 0.25 0.00 0.00 55.06 55.19 1sxy s HIS 120 Cb -0.04 -1.47 0.00 0.00 -1.18 0.00 0.00 32.58 29.88 1sxy s HIS 120 CO 0.08 0.21 0.09 -0.08 -0.65 0.00 0.00 174.74 174.39 1sxy s THR 121 N -0.87 0.04 -0.15 0.89 -1.32 0.08 -0.97 115.64 113.34 1sxy s THR 121 Ca 0.14 -0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.26 1sxy s THR 121 Cb -0.10 -0.25 0.02 0.00 -1.51 0.00 0.00 72.50 70.65 1sxy s THR 121 CO 0.04 -0.20 -0.18 0.00 -2.21 0.00 0.00 174.62 172.07 1sxy s LEU 123 N 1.21 4.25 -0.17 0.00 2.96 -1.26 -1.35 118.68 124.32 1sxy s LEU 123 Ca 0.01 0.45 0.01 0.00 -0.22 0.00 0.00 54.13 54.38 1sxy s LEU 123 Cb -0.14 -2.30 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1sxy s LEU 123 CO -0.09 0.14 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.89 1sxy s HIS 124 N 0.35 2.76 -0.33 5.38 3.76 0.07 -4.54 115.29 122.74 1sxy s HIS 124 Ca 0.15 -1.46 0.02 0.00 -0.15 0.00 0.00 55.06 53.62 1sxy s HIS 124 Cb -0.13 -1.90 0.15 0.00 1.11 0.00 0.00 32.58 31.82 1sxy s HIS 124 CO 0.03 -0.71 0.39 0.21 -0.85 0.00 0.00 174.74 173.81 1sxy s LYS 125 N 1.14 0.52 6.71 1.40 2.20 -1.22 -1.36 119.74 129.12 1sxy s LYS 125 Ca 0.01 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.27 1sxy s LYS 125 Cb -0.14 -0.51 0.00 0.00 -1.51 0.00 0.00 37.83 35.67 1sxy s LYS 125 CO -0.08 -1.11 0.00 0.41 -0.36 0.00 0.00 175.35 174.21 1sxy n GLY 126 N 4.83 2.63 1.80 5.54 0.00 -1.22 -2.29 105.19 116.48 1sxy n GLY 126 Ca 0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1sxy n GLY 126 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sxy n ASN 127 N 3.97 3.74 -4.79 1.61 0.23 -1.26 -4.96 115.26 113.80 1sxy n ASN 127 Ca 0.00 -3.50 -0.36 0.00 -0.53 0.00 0.00 54.58 50.19 1sxy n ASN 127 Cb 0.00 -0.74 -0.04 0.00 -2.08 0.00 0.00 39.78 36.92 1sxy n ASN 127 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1sxy s LYS 128 N -3.17 4.08 -0.48 -3.83 1.02 -0.97 -5.02 119.74 111.37 1sxy s LYS 128 Ca 0.52 1.44 -0.11 0.00 0.02 0.00 0.00 55.97 57.85 1sxy s LYS 128 Cb 0.44 -2.40 0.12 0.00 -0.52 0.00 0.00 37.83 35.47 1sxy s LYS 128 CO 0.09 -0.20 0.38 0.34 -0.92 0.00 0.00 175.35 175.03 1sxy s ASP 129 N -1.72 5.82 0.23 2.83 3.68 -1.26 -4.70 116.67 121.55 1sxy s ASP 129 Ca 0.60 -1.85 0.09 0.00 2.13 0.00 0.00 52.55 53.52 1sxy s ASP 129 Cb -0.20 -2.06 -0.04 0.00 -1.45 0.00 0.00 42.92 39.17 1sxy s ASP 129 CO 0.24 -0.72 -0.01 -0.76 0.13 0.00 0.00 175.17 174.05 1sxy s LEU 130 N 1.42 3.22 0.00 -1.34 2.01 -1.26 -4.55 118.68 118.19 1sxy s LEU 130 Ca 0.05 -0.55 0.03 0.00 0.01 0.00 0.00 54.13 53.67 1sxy s LEU 130 Cb -0.27 -1.81 -0.01 0.00 0.01 0.00 0.00 46.19 44.11 1sxy s LEU 130 CO 0.00 0.04 0.11 0.61 1.01 0.00 0.00 176.35 178.12 1sxy n GLY 131 N -0.56 3.39 3.78 -3.19 0.00 -1.26 -1.73 105.19 105.62 1sxy n GLY 131 Ca -0.08 -2.13 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 1sxy n GLY 131 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1sxy s ASP 132 N -3.24 6.41 -0.07 1.61 1.11 -1.26 -4.60 116.67 116.63 1sxy s ASP 132 Ca 0.15 2.97 0.00 0.00 0.18 0.00 0.00 52.55 55.86 1sxy s ASP 132 Cb 0.01 -2.66 0.02 0.00 1.07 0.00 0.00 42.92 41.36 1sxy s ASP 132 CO 0.11 -0.82 -0.06 -0.22 1.18 0.00 0.00 175.17 175.37 1sxy s LEU 133 N -2.06 1.17 0.01 1.23 2.96 -0.66 -1.25 118.68 120.08 1sxy s LEU 133 Ca 0.52 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 1sxy s LEU 133 Cb -0.45 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.59 1sxy s LEU 133 CO 0.61 -0.09 0.08 -0.31 -1.32 0.00 0.00 176.35 175.32 1sxy s TYR 134 N 1.32 3.25 -0.01 5.38 2.02 0.01 -0.74 117.35 128.58 1sxy s TYR 134 Ca -0.04 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.84 1sxy s TYR 134 Cb -0.14 -1.71 0.02 0.00 -0.40 0.00 0.00 41.96 39.73 1sxy s TYR 134 CO -0.03 0.54 0.01 0.00 -1.57 0.00 0.00 175.55 174.50 1sxy s ALA 135 N -1.22 0.12 -0.11 3.71 0.00 -0.21 -0.84 121.76 123.20 1sxy s ALA 135 Ca 0.24 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.16 1sxy s ALA 135 Cb -0.12 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1sxy s ALA 135 CO 0.15 -0.06 0.59 0.08 0.00 0.00 0.00 175.76 176.52 1sxy s VAL 136 N 0.68 5.11 0.16 0.00 1.01 -0.01 -1.20 120.40 126.14 1sxy s VAL 136 Ca -0.06 1.18 0.09 0.00 0.00 0.00 0.00 61.98 63.19 1sxy s VAL 136 Cb -0.09 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1sxy s VAL 136 CO -0.02 0.26 -0.11 -0.76 0.00 0.00 0.00 175.10 174.48 1sxy s LEU 137 N 0.90 2.94 0.03 3.92 1.43 0.34 -0.89 118.68 127.35 1sxy s LEU 137 Ca 0.31 -0.55 -0.05 0.00 -1.03 0.00 0.00 54.13 52.80 1sxy s LEU 137 Cb -0.16 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1sxy s LEU 137 CO 0.13 0.12 0.10 0.21 0.23 0.00 0.00 176.35 177.14 1sxy s ASN 138 N -2.64 0.16 0.47 2.29 3.84 -0.41 -1.91 114.94 116.75 1sxy s ASN 138 Ca 0.23 -0.50 0.26 0.00 0.21 0.00 0.00 52.86 53.07 1sxy s ASN 138 Cb -0.09 0.22 1.09 0.00 -0.55 0.00 0.00 41.25 41.91 1sxy s ASN 138 CO 0.14 -0.49 1.89 0.03 -2.79 0.00 0.00 177.10 175.89 1sxy h ARG 139 N 3.76 0.00 -4.98 0.43 2.47 -1.39 -0.57 114.38 114.10 1sxy h ARG 139 Ca -0.32 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 57.74 1sxy h ARG 139 Cb 1.19 0.00 -0.25 0.00 -1.65 0.00 0.00 29.97 29.25 1sxy h ARG 139 CO 0.49 0.17 -0.68 1.21 0.56 0.00 0.00 179.97 181.73 1sxy s ASN 140 N -6.10 4.68 0.63 7.04 3.84 -1.26 -4.81 114.94 118.97 1sxy s ASN 140 Ca 0.00 -0.30 0.42 0.00 0.21 0.00 0.00 52.86 53.18 1sxy s ASN 140 Cb 0.10 -1.82 2.12 0.00 -0.55 0.00 0.00 41.25 41.10 1sxy s ASN 140 CO 0.61 -0.02 2.26 0.07 -2.79 0.00 0.00 177.10 177.23 1sxy h LYS 141 N 8.16 0.00 -0.06 0.43 2.10 -1.94 -2.11 116.57 123.14 1sxy h LYS 141 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 1sxy h LYS 141 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1sxy h LYS 141 CO 0.59 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.79 1sxy n ASP 142 N -3.08 3.04 -4.70 7.07 8.00 -1.26 -4.91 116.55 120.70 1sxy n ASP 142 Ca -0.02 -2.00 -0.42 0.00 0.71 0.00 0.00 54.79 53.06 1sxy n ASP 142 Cb 0.14 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.19 1sxy n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sxy s ALA 143 N -1.96 3.51 0.46 2.24 0.00 -0.80 -5.00 121.76 120.21 1sxy s ALA 143 Ca 0.29 0.91 -0.23 0.00 0.00 0.00 0.00 51.96 52.92 1sxy s ALA 143 Cb 0.20 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.73 1sxy s ALA 143 CO 0.30 -0.64 1.24 0.00 0.00 0.00 0.00 175.76 176.66 1sxy s ALA 144 N 1.54 3.01 0.10 0.00 0.00 -1.26 -4.95 121.76 120.20 1sxy s ALA 144 Ca 0.61 1.09 -0.31 0.00 0.00 0.00 0.00 51.96 53.36 1sxy s ALA 144 Cb -0.31 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.27 1sxy s ALA 144 CO 0.28 -0.85 1.61 0.00 0.00 0.00 0.00 175.76 176.81 1sxy s ALA 145 N -1.42 3.71 0.85 0.00 0.00 -1.26 -5.00 121.76 118.64 1sxy s ALA 145 Ca 0.63 1.25 -0.08 0.00 0.00 0.00 0.00 51.96 53.76 1sxy s ALA 145 Cb -0.33 -3.67 0.17 0.00 0.00 0.00 0.00 23.12 19.29 1sxy s ALA 145 CO 0.41 -0.98 1.16 0.20 0.00 0.00 0.00 175.76 176.55 1sxy s GLY 146 N 1.97 1.77 0.32 0.00 0.00 -1.26 -4.87 107.32 105.24 1sxy s GLY 146 Ca 0.72 -1.53 0.01 0.00 0.00 0.00 0.00 44.72 43.92 1sxy s GLY 146 CO 0.32 -0.84 1.89 -0.55 0.00 0.00 0.00 173.10 173.91 1sxy h ASP 147 N -1.10 0.68 0.23 1.64 3.32 -1.98 -1.24 116.42 117.97 1sxy h ASP 147 Ca -0.40 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.55 1sxy h ASP 147 Cb 1.25 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.62 1sxy h ASP 147 CO 0.37 0.64 -0.11 0.11 -1.72 0.00 0.00 179.24 178.53 1sxy h LYS 148 N 0.74 -0.30 -0.11 3.56 1.57 -1.99 0.37 116.57 120.41 1sxy h LYS 148 Ca 0.17 0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.79 1sxy h LYS 148 Cb 0.19 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1sxy h LYS 148 CO -0.01 -0.15 -0.70 -0.24 -0.57 0.00 0.00 179.45 177.78 1sxy h VAL 149 N -0.36 1.35 -0.38 0.50 3.04 -1.93 -2.00 116.25 116.47 1sxy h VAL 149 Ca -0.03 -2.04 -0.08 0.00 -1.01 0.00 0.00 66.70 63.54 1sxy h VAL 149 Cb 0.28 2.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.56 1sxy h VAL 149 CO 0.05 0.62 -0.09 0.11 -1.01 0.00 0.00 177.57 177.25 1sxy h LYS 150 N 0.35 0.64 -0.64 4.17 1.57 -1.15 -0.94 116.57 120.56 1sxy h LYS 150 Ca -0.03 -0.19 -0.05 0.00 -1.87 0.00 0.00 60.65 58.51 1sxy h LYS 150 Cb 1.27 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.49 1sxy h LYS 150 CO 0.13 0.72 0.18 0.77 -0.57 0.00 0.00 179.45 180.68 1sxy h SER 151 N 0.59 0.93 -0.51 0.86 0.02 -0.77 -1.79 113.55 112.88 1sxy h SER 151 Ca 0.11 -0.17 -0.04 0.00 -0.84 0.00 0.00 61.79 60.85 1sxy h SER 151 Cb 0.51 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 1sxy h SER 151 CO 0.03 0.88 0.18 0.00 -1.14 0.00 0.00 176.83 176.78 1sxy h ALA 152 N 1.24 1.28 -0.32 3.77 0.00 -0.75 0.10 119.26 124.58 1sxy h ALA 152 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1sxy h ALA 152 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1sxy h ALA 152 CO -0.00 0.52 0.21 0.28 0.00 0.00 0.00 179.25 180.25 1sxy h VAL 153 N 0.81 1.09 -0.67 0.00 2.07 -0.65 -1.68 116.25 117.22 1sxy h VAL 153 Ca 0.19 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1sxy h VAL 153 Cb 0.22 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1sxy h VAL 153 CO -0.01 0.09 0.44 -1.28 0.02 0.00 0.00 177.57 176.83 1sxy h SER 154 N 0.43 0.75 0.43 0.57 0.87 -0.72 -2.11 113.55 113.77 1sxy h SER 154 Ca 0.12 -0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 1sxy h SER 154 Cb -0.03 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 1sxy h SER 154 CO -0.02 0.54 -0.09 0.00 -0.53 0.00 0.00 176.83 176.73 1sxy h ALA 155 N 1.25 1.20 -0.02 6.23 0.00 -0.46 0.11 119.26 127.57 1sxy h ALA 155 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sxy h ALA 155 Cb -0.08 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1sxy h ALA 155 CO -0.06 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.30 1sxy n ALA 156 N -2.22 2.60 -3.58 0.00 0.00 -0.66 -4.91 120.51 111.74 1sxy n ALA 156 Ca -0.02 -0.17 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 1sxy n ALA 156 Cb 0.23 -1.28 0.08 0.00 0.00 0.00 0.00 19.45 18.47 1sxy n ALA 156 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1sxy n THR 157 N -0.66 -3.75 -4.43 0.00 -1.04 0.38 -5.03 114.28 99.75 1sxy n THR 157 Ca 0.15 -0.14 -0.24 0.00 -2.04 0.00 0.00 64.05 61.77 1sxy n THR 157 Cb 0.10 -4.18 -0.10 0.00 -1.82 0.00 0.00 70.33 64.33 1sxy n THR 157 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1sxy s LEU 158 N -7.05 2.69 -0.33 -4.42 1.43 -0.83 -5.04 118.68 105.12 1sxy s LEU 158 Ca 0.43 -0.92 -0.09 0.00 -1.03 0.00 0.00 54.13 52.52 1sxy s LEU 158 Cb -0.19 -1.24 0.01 0.00 0.03 0.00 0.00 46.19 44.80 1sxy s LEU 158 CO 0.74 0.05 0.15 -1.61 0.23 0.00 0.00 176.35 175.90 1sxy s GLU 159 N -3.39 3.05 0.49 1.70 0.41 -1.26 -3.85 118.70 115.85 1sxy s GLU 159 Ca 0.29 -0.91 0.13 0.00 -0.41 0.00 0.00 54.97 54.07 1sxy s GLU 159 Cb -0.06 -3.55 1.15 0.00 -1.78 0.00 0.00 34.13 29.89 1sxy s GLU 159 CO 0.15 -0.53 2.12 0.35 -0.49 0.00 0.00 175.26 176.86 1sxy h PHE 160 N 8.33 0.14 -0.07 1.61 3.57 -1.92 -1.19 116.94 127.42 1sxy h PHE 160 Ca -0.29 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.23 1sxy h PHE 160 Cb 1.12 -0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.81 1sxy h PHE 160 CO 0.61 0.09 0.17 0.66 -2.23 0.00 0.00 178.31 177.61 1sxy h SER 161 N 0.15 0.00 1.50 0.41 4.64 -2.02 -0.79 113.55 117.45 1sxy h SER 161 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1sxy h SER 161 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1sxy h SER 161 CO -0.01 0.00 -0.28 0.11 -0.87 0.00 0.00 176.83 175.78 1sxy h LYS 162 N 0.00 0.00 -6.96 4.77 1.57 -1.63 -3.46 116.57 110.86 1sxy h LYS 162 Ca 0.03 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.30 1sxy h LYS 162 Cb 0.37 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.74 1sxy h LYS 162 CO -0.00 0.00 0.52 -0.06 -0.57 0.00 0.00 179.45 179.34 1sxy s PHE 163 N -3.20 2.98 -0.18 -1.35 0.40 -0.30 -4.89 117.98 111.43 1sxy s PHE 163 Ca 0.06 1.52 -0.14 0.00 -0.60 0.00 0.00 56.93 57.78 1sxy s PHE 163 Cb 0.09 -3.44 -0.05 0.00 0.51 0.00 0.00 43.02 40.13 1sxy s PHE 163 CO 0.68 -1.51 0.29 0.42 0.70 0.00 0.00 175.22 175.80 1sxy s ILE 164 N -1.41 5.30 0.41 0.64 -1.09 0.47 -4.82 121.20 120.70 1sxy s ILE 164 Ca 0.59 0.51 -0.23 0.00 -2.23 0.00 0.00 60.65 59.29 1sxy s ILE 164 Cb -0.32 -3.63 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 1sxy s ILE 164 CO 0.40 0.36 1.03 -0.55 -1.23 0.00 0.00 174.94 174.94 1sxy s SER 165 N 0.66 6.74 0.00 3.58 0.15 -1.26 -0.91 113.70 122.66 1sxy s SER 165 Ca 0.15 1.95 0.24 0.00 0.70 0.00 0.00 55.95 59.00 1sxy s SER 165 Cb -0.13 -2.57 0.50 0.00 -1.71 0.00 0.00 66.02 62.11 1sxy s SER 165 CO 0.04 -0.50 1.44 0.35 1.20 0.00 0.00 173.24 175.77 1sxy n THR 166 N -0.28 0.13 0.45 6.45 -2.24 -0.17 -4.68 114.28 113.94 1sxy n THR 166 Ca 0.06 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.49 1sxy n THR 166 Cb 0.51 1.03 0.43 0.00 -2.10 0.00 0.00 70.33 70.20 1sxy n THR 166 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1sxy h LYS 167 N 3.83 0.00 -0.61 -0.78 2.10 -1.91 -3.18 116.57 116.03 1sxy h LYS 167 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 1sxy h LYS 167 Cb 0.82 0.00 -0.16 0.00 -0.90 0.00 0.00 32.23 31.99 1sxy h LYS 167 CO 0.00 0.00 0.22 0.39 -2.00 0.00 0.00 179.45 178.06 1sxy n GLU 168 N -2.50 2.41 -0.17 0.07 1.02 -1.26 -4.52 120.64 115.69 1sxy n GLU 168 Ca 0.04 -3.08 0.07 0.00 -0.02 0.00 0.00 57.16 54.17 1sxy n GLU 168 Cb 0.37 -2.00 0.17 0.00 -0.02 0.00 0.00 31.44 29.95 1sxy n GLU 168 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1sxy n ASN 169 N -0.90 2.96 -2.03 1.62 5.03 -1.20 -4.98 115.26 115.76 1sxy n ASN 169 Ca 0.41 -1.90 -0.18 0.00 0.87 0.00 0.00 54.58 53.78 1sxy n ASN 169 Cb 1.28 -0.23 -0.04 0.00 -1.02 0.00 0.00 39.78 39.77 1sxy n ASN 169 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1sxy n ASN 170 N 0.82 -4.96 -4.75 6.41 5.03 -1.26 -4.91 115.26 111.64 1sxy n ASN 170 Ca 0.13 0.22 -0.41 0.00 0.87 0.00 0.00 54.58 55.40 1sxy n ASN 170 Cb 0.45 -4.28 -0.04 0.00 -1.02 0.00 0.00 39.78 34.90 1sxy n ASN 170 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1sxy s ALA 172 N -0.54 1.73 0.08 0.00 0.00 -1.26 -5.14 121.76 116.62 1sxy s ALA 172 Ca 0.49 -0.81 0.09 0.00 0.00 0.00 0.00 51.96 51.73 1sxy s ALA 172 Cb -0.32 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1sxy s ALA 172 CO 0.39 0.33 -0.22 0.71 0.00 0.00 0.00 175.76 176.97 1sxy s TYR 173 N -0.06 2.45 -0.92 0.00 2.02 -1.26 -5.07 117.35 114.51 1sxy s TYR 173 Ca -0.03 -0.32 -0.14 0.00 -0.37 0.00 0.00 57.07 56.21 1sxy s TYR 173 Cb -0.12 -1.38 0.22 0.00 -0.40 0.00 0.00 41.96 40.28 1sxy s TYR 173 CO 0.02 0.27 0.92 0.34 -1.57 0.00 0.00 175.55 175.54 1sxy s ASP 174 N -1.68 6.87 0.38 2.29 -1.08 -1.26 -4.88 116.67 117.30 1sxy s ASP 174 Ca 0.15 -2.79 0.07 0.00 -0.52 0.00 0.00 52.55 49.46 1sxy s ASP 174 Cb -0.10 -2.25 0.75 0.00 -1.46 0.00 0.00 42.92 39.86 1sxy s ASP 174 CO 0.06 -0.60 1.95 0.78 0.52 0.00 0.00 175.17 177.88 1sxy h ASN 175 N 7.69 0.40 -0.48 -0.34 -0.26 -2.00 -2.55 115.58 118.05 1sxy h ASN 175 Ca 0.14 -0.05 -0.03 0.00 -0.56 0.00 0.00 56.30 55.80 1sxy h ASN 175 Cb 1.00 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 38.13 1sxy h ASN 175 CO 0.88 0.43 0.19 0.44 -1.06 0.00 0.00 177.43 178.31 1sxy h ASP 176 N 0.43 0.66 -0.52 5.81 3.32 -2.00 -1.73 116.42 122.40 1sxy h ASP 176 Ca 0.10 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1sxy h ASP 176 Cb 0.20 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1sxy h ASP 176 CO -0.00 0.64 0.23 -1.28 -1.72 0.00 0.00 179.24 177.11 1sxy h SER 177 N 0.63 0.69 -0.51 6.45 0.87 -1.78 -1.46 113.55 118.43 1sxy h SER 177 Ca 0.16 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1sxy h SER 177 Cb 0.19 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 1sxy h SER 177 CO -0.01 0.65 0.34 -0.07 -0.53 0.00 0.00 176.83 177.20 1sxy h LEU 178 N 0.69 0.59 -0.36 2.23 3.38 -1.24 0.03 115.31 120.63 1sxy h LEU 178 Ca 0.18 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1sxy h LEU 178 Cb 0.15 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1sxy h LEU 178 CO -0.02 0.43 0.11 0.11 0.09 0.00 0.00 178.44 179.16 1sxy h LYS 179 N 0.70 0.56 0.00 1.13 1.57 -1.23 -3.03 116.57 116.27 1sxy h LYS 179 Ca 0.19 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.75 1sxy h LYS 179 Cb -0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1sxy h LYS 179 CO -0.04 0.58 -0.47 0.66 -0.57 0.00 0.00 179.45 179.61 1sxy h SER 180 N 0.43 0.00 0.26 0.86 4.64 -0.97 -2.75 113.55 116.01 1sxy h SER 180 Ca 0.12 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.42 1sxy h SER 180 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1sxy h SER 180 CO -0.00 0.47 -0.05 -0.07 -0.87 0.00 0.00 176.83 176.30 1sxy h LEU 181 N 0.00 0.00 -2.10 5.97 3.38 -0.87 -2.20 115.31 119.49 1sxy h LEU 181 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.05 1sxy h LEU 181 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1sxy h LEU 181 CO 0.06 0.05 0.27 -0.07 0.09 0.00 0.00 178.44 178.84 1sxy h LEU 182 N 0.00 0.00 -0.35 1.67 3.38 -1.48 -1.36 115.31 117.18 1sxy h LEU 182 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1sxy h LEU 182 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1sxy h LEU 182 CO 0.01 0.00 -0.18 0.35 0.09 0.00 0.00 178.44 178.71 1sxy n THR 183 N -4.03 0.00 0.90 0.22 -2.24 -0.83 -4.71 114.28 103.59 1sxy n THR 183 Ca 0.04 -0.09 0.11 0.00 -2.27 0.00 0.00 64.05 61.84 1sxy n THR 183 Cb 0.43 0.12 0.09 0.00 -2.10 0.00 0.00 70.33 68.87 1sxy n THR 183 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79