#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyo s ILE 3 N 0.00 1.73 0.61 12.58 -4.36 -0.83 -5.00 121.20 125.92 1xyo s ILE 3 Ca 0.00 -2.17 -0.06 0.00 -0.26 0.00 0.00 60.65 58.16 1xyo s ILE 3 Cb 0.00 -2.32 0.01 0.00 1.25 0.00 0.00 42.46 41.40 1xyo s ILE 3 CO 0.00 -0.39 0.92 -1.10 0.24 0.00 0.00 174.94 174.61 1xyo s GLN 4 N -3.69 2.86 0.30 0.37 -0.21 -1.26 -4.54 119.66 113.49 1xyo s GLN 4 Ca 0.27 0.01 -0.27 0.00 0.02 0.00 0.00 55.36 55.39 1xyo s GLN 4 Cb 0.02 -2.24 -0.14 0.00 1.00 0.00 0.00 33.01 31.65 1xyo s GLN 4 CO 0.11 -0.76 0.95 -2.30 -2.12 0.00 0.00 175.29 171.17 1xyo n PRO 5 N -2.64 1.23 -3.60 2.91 -0.02 -1.26 -4.92 135.00 126.69 1xyo n PRO 5 Ca 0.05 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1xyo n PRO 5 Cb 0.58 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1xyo n PRO 5 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xyo n GLY 6 N 1.29 -1.99 3.30 -1.23 0.00 0.06 -5.00 105.19 101.63 1xyo n GLY 6 Ca 0.10 -1.17 -0.16 0.00 0.00 0.00 0.00 46.02 44.80 1xyo n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyo s THR 7 N -2.25 0.58 -5.00 2.61 -4.23 -1.26 -0.98 115.64 105.11 1xyo s THR 7 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1xyo s THR 7 Cb 0.00 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1xyo s THR 7 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 1xyo n GLY 8 N -0.42 -0.51 3.25 3.99 0.00 -0.98 -4.99 105.19 105.55 1xyo n GLY 8 Ca -0.01 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.46 1xyo n GLY 8 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyo s TYR 9 N -2.96 2.16 -0.04 1.61 2.02 -1.26 -0.40 117.35 118.47 1xyo s TYR 9 Ca 0.00 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.18 1xyo s TYR 9 Cb 0.00 -1.40 0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1xyo s TYR 9 CO 0.00 -0.10 0.07 1.21 -1.57 0.00 0.00 175.55 175.16 1xyo s ASN 10 N -0.37 1.03 -1.33 2.29 3.84 0.14 -4.87 114.94 115.66 1xyo s ASN 10 Ca 0.04 0.11 -0.01 0.00 0.21 0.00 0.00 52.86 53.20 1xyo s ASN 10 Cb -0.11 -0.09 0.01 0.00 -0.55 0.00 0.00 41.25 40.51 1xyo s ASN 10 CO 0.01 -0.24 0.10 0.59 -2.79 0.00 0.00 177.10 174.77 1xyo n ASN 11 N 5.23 -4.68 0.00 -4.21 3.02 -1.26 -1.56 115.26 111.80 1xyo n ASN 11 Ca -0.05 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 1xyo n ASN 11 Cb 0.50 -3.92 0.00 0.00 -0.61 0.00 0.00 39.78 35.75 1xyo n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xyo n GLY 12 N -0.97 1.08 3.28 7.41 0.00 -1.26 -4.43 105.19 110.30 1xyo n GLY 12 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1xyo n GLY 12 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xyo s TYR 13 N -2.18 2.07 0.44 1.61 1.51 -0.60 -5.04 117.35 115.16 1xyo s TYR 13 Ca 0.00 -0.39 -0.24 0.00 -1.01 0.00 0.00 57.07 55.43 1xyo s TYR 13 Cb 0.00 -1.28 -0.08 0.00 -0.11 0.00 0.00 41.96 40.49 1xyo s TYR 13 CO 0.00 0.04 1.16 0.12 -1.11 0.00 0.00 175.55 175.76 1xyo s PHE 14 N -0.68 2.95 0.05 2.71 5.36 -0.38 0.24 117.98 128.24 1xyo s PHE 14 Ca 0.09 1.54 0.02 0.00 -0.96 0.00 0.00 56.93 57.62 1xyo s PHE 14 Cb -0.09 -3.38 -0.03 0.00 -0.34 0.00 0.00 43.02 39.18 1xyo s PHE 14 CO 0.01 -1.41 -0.07 1.52 -1.46 0.00 0.00 175.22 173.81 1xyo s TYR 15 N -1.51 0.67 -0.06 10.12 -0.85 0.46 -0.40 117.35 125.79 1xyo s TYR 15 Ca 0.61 -0.65 -0.02 0.00 -0.52 0.00 0.00 57.07 56.48 1xyo s TYR 15 Cb -0.29 -0.41 0.04 0.00 0.38 0.00 0.00 41.96 41.68 1xyo s TYR 15 CO 0.36 -0.13 0.13 0.45 -1.52 0.00 0.00 175.55 174.83 1xyo s SER 16 N -2.05 -0.02 -0.06 -0.18 0.15 -0.70 -2.31 113.70 108.54 1xyo s SER 16 Ca -0.04 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.87 1xyo s SER 16 Cb -0.05 0.15 0.03 0.00 -1.71 0.00 0.00 66.02 64.44 1xyo s SER 16 CO -0.02 -0.15 -0.00 -0.47 1.20 0.00 0.00 173.24 173.80 1xyo s TYR 17 N 1.25 0.59 0.01 3.44 5.04 -0.15 -1.66 117.35 125.87 1xyo s TYR 17 Ca -0.08 -0.12 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 1xyo s TYR 17 Cb -0.12 -0.70 -0.01 0.00 0.35 0.00 0.00 41.96 41.48 1xyo s TYR 17 CO -0.06 -0.27 -0.05 -0.46 -1.34 0.00 0.00 175.55 173.37 1xyo s TRP 18 N 1.68 0.46 0.07 4.97 -0.00 -0.10 -0.76 118.94 125.26 1xyo s TRP 18 Ca 0.00 -0.21 -0.06 0.00 -0.00 0.00 0.00 56.10 55.84 1xyo s TRP 18 Cb -0.13 -0.29 -0.01 0.00 -0.00 0.00 0.00 33.47 33.04 1xyo s TRP 18 CO -0.04 -0.04 0.11 0.54 -0.00 0.00 0.00 176.95 177.53 1xyo s ASN 19 N -0.55 0.22 0.00 5.86 2.20 -1.26 -1.09 114.94 120.32 1xyo s ASN 19 Ca -0.02 -0.70 0.07 0.00 -0.94 0.00 0.00 52.86 51.27 1xyo s ASN 19 Cb -0.04 0.28 0.42 0.00 -2.00 0.00 0.00 41.25 39.91 1xyo s ASN 19 CO -0.00 -0.64 1.26 -0.90 -2.94 0.00 0.00 177.10 173.88 1xyo n ASP 20 N 0.19 0.00 0.00 3.54 5.68 -0.56 -4.88 116.55 120.52 1xyo n ASP 20 Ca -0.16 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1xyo n ASP 20 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1xyo n ASP 20 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xyo n GLY 21 N 0.60 1.63 0.30 6.12 0.00 -1.26 -4.94 105.19 107.63 1xyo n GLY 21 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1xyo n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xyo h HIS 22 N 0.00 0.87 0.00 1.61 6.17 -1.91 -3.49 115.15 118.39 1xyo h HIS 22 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1xyo h HIS 22 Cb 0.00 -0.27 0.00 0.00 2.52 0.00 0.00 27.41 29.66 1xyo h HIS 22 CO 0.00 0.41 0.00 0.41 0.71 0.00 0.00 177.93 179.46 1xyo n GLY 23 N -1.31 2.04 0.60 5.26 0.00 -1.26 -4.88 105.19 105.64 1xyo n GLY 23 Ca 0.12 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1xyo n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyo n GLY 24 N 1.80 0.83 3.00 -0.02 0.00 -1.26 -3.60 105.19 105.93 1xyo n GLY 24 Ca 0.00 -0.21 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 1xyo n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xyo s VAL 25 N -2.00 0.66 -0.16 1.61 1.01 -1.26 -0.09 120.40 120.17 1xyo s VAL 25 Ca 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1xyo s VAL 25 Cb 0.00 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.85 1xyo s VAL 25 CO 0.00 0.20 -0.05 -0.89 0.00 0.00 0.00 175.10 174.36 1xyo s THR 26 N -0.03 1.03 -0.17 3.92 2.01 0.19 -5.00 115.64 117.59 1xyo s THR 26 Ca 0.01 -0.57 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1xyo s THR 26 Cb -0.05 -1.22 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1xyo s THR 26 CO -0.00 0.13 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.58 1xyo s TYR 27 N 1.67 3.07 -0.07 4.92 6.14 -1.26 -1.34 117.35 130.47 1xyo s TYR 27 Ca 0.01 -0.25 0.01 0.00 0.64 0.00 0.00 57.07 57.49 1xyo s TYR 27 Cb -0.15 -2.00 0.02 0.00 0.42 0.00 0.00 41.96 40.25 1xyo s TYR 27 CO -0.08 -0.03 -0.10 0.99 0.64 0.00 0.00 175.55 176.98 1xyo s THR 28 N 0.45 1.03 -0.04 4.34 2.01 0.10 -1.97 115.64 121.55 1xyo s THR 28 Ca -0.02 -0.39 -0.26 0.00 0.31 0.00 0.00 61.69 61.33 1xyo s THR 28 Cb -0.14 -0.98 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1xyo s THR 28 CO 0.02 0.34 0.81 0.20 -0.69 0.00 0.00 174.62 175.30 1xyo s ASN 29 N 0.94 7.14 0.18 3.53 0.01 -1.26 -1.25 114.94 124.23 1xyo s ASN 29 Ca -0.10 1.37 0.01 0.00 -0.71 0.00 0.00 52.86 53.44 1xyo s ASN 29 Cb -0.15 -2.47 0.01 0.00 0.41 0.00 0.00 41.25 39.05 1xyo s ASN 29 CO 0.01 -0.17 0.11 0.61 -1.51 0.00 0.00 177.10 176.15 1xyo n GLY 30 N 3.02 3.16 3.76 0.66 0.00 0.47 -4.73 105.19 111.52 1xyo n GLY 30 Ca 0.02 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.41 1xyo n GLY 30 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xyo n PRO 31 N -0.83 2.11 0.00 1.61 -0.04 -1.26 -4.34 135.00 132.25 1xyo n PRO 31 Ca -0.02 0.76 0.00 0.00 -0.04 0.00 0.00 63.50 64.20 1xyo n PRO 31 Cb 0.21 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 1xyo n PRO 31 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xyo n GLY 32 N 0.63 3.40 1.24 0.55 0.00 -1.26 -1.40 105.19 108.35 1xyo n GLY 32 Ca 0.06 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.11 1xyo n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyo n GLY 33 N 0.00 2.24 3.85 -0.02 0.00 -1.26 -4.65 105.19 105.35 1xyo n GLY 33 Ca 0.00 -0.50 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 1xyo n GLY 33 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xyo s GLN 34 N -1.94 3.92 0.00 1.61 0.74 -0.49 -1.25 119.66 122.26 1xyo s GLN 34 Ca 0.30 0.41 -0.09 0.00 0.05 0.00 0.00 55.36 56.02 1xyo s GLN 34 Cb 0.22 -3.01 0.01 0.00 1.10 0.00 0.00 33.01 31.33 1xyo s GLN 34 CO 0.09 0.54 0.18 -0.59 -0.55 0.00 0.00 175.29 174.97 1xyo s PHE 35 N -1.37 -0.01 -0.00 1.67 -0.71 -0.43 -0.39 117.98 116.74 1xyo s PHE 35 Ca 0.34 -0.04 0.04 0.00 -1.04 0.00 0.00 56.93 56.23 1xyo s PHE 35 Cb -0.15 -0.01 -0.01 0.00 -1.21 0.00 0.00 43.02 41.63 1xyo s PHE 35 CO 0.18 -0.32 -0.13 -1.12 -1.34 0.00 0.00 175.22 172.49 1xyo s SER 36 N -1.40 1.56 -0.05 1.98 0.01 -0.38 -1.22 113.70 114.21 1xyo s SER 36 Ca -0.14 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1xyo s SER 36 Cb -0.07 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.02 1xyo s SER 36 CO 0.02 0.14 -0.06 -0.69 0.41 0.00 0.00 173.24 173.06 1xyo s VAL 37 N -0.41 0.65 -0.10 3.43 1.01 -0.47 -0.72 120.40 123.79 1xyo s VAL 37 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1xyo s VAL 37 Cb -0.06 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.69 1xyo s VAL 37 CO -0.00 0.25 -0.10 0.21 0.00 0.00 0.00 175.10 175.46 1xyo s ASN 38 N 0.91 2.08 0.05 3.32 2.47 -0.45 -0.94 114.94 122.38 1xyo s ASN 38 Ca -0.11 -0.32 0.02 0.00 0.42 0.00 0.00 52.86 52.87 1xyo s ASN 38 Cb -0.14 -0.88 -0.03 0.00 -1.45 0.00 0.00 41.25 38.75 1xyo s ASN 38 CO 0.00 -0.05 -0.08 -1.66 -3.72 0.00 0.00 177.10 171.59 1xyo s TRP 39 N 1.25 0.75 -0.18 0.43 -2.14 -0.29 -0.64 118.94 118.12 1xyo s TRP 39 Ca -0.03 -0.54 -0.04 0.00 2.66 0.00 0.00 56.10 58.15 1xyo s TRP 39 Cb -0.14 -0.44 0.09 0.00 -3.10 0.00 0.00 33.47 29.88 1xyo s TRP 39 CO -0.04 -0.08 0.27 0.45 -2.66 0.00 0.00 176.95 174.90 1xyo s SER 40 N -1.75 0.71 -1.32 -2.66 0.15 0.87 -0.78 113.70 108.92 1xyo s SER 40 Ca -0.07 0.22 -0.07 0.00 0.70 0.00 0.00 55.95 56.73 1xyo s SER 40 Cb -0.08 0.68 -0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1xyo s SER 40 CO 0.00 -0.28 0.54 0.59 1.20 0.00 0.00 173.24 175.29 1xyo n ASN 41 N 5.34 -1.84 -2.77 5.45 3.02 -0.20 -4.55 115.26 119.72 1xyo n ASN 41 Ca -0.05 -1.01 -0.12 0.00 -0.03 0.00 0.00 54.58 53.37 1xyo n ASN 41 Cb 0.50 -3.15 0.08 0.00 -0.61 0.00 0.00 39.78 36.60 1xyo n ASN 41 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xyo n SER 42 N -2.88 -0.17 0.00 6.41 3.41 -0.38 -4.67 113.62 115.35 1xyo n SER 42 Ca -0.25 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.24 1xyo n SER 42 Cb 0.66 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.21 1xyo n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xyo n GLY 43 N 1.32 2.01 3.60 5.00 0.00 -1.24 -3.86 105.19 112.03 1xyo n GLY 43 Ca 0.06 -0.73 -0.34 0.00 0.00 0.00 0.00 46.02 45.01 1xyo n GLY 43 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xyo s ASN 44 N -0.23 5.48 0.09 1.61 3.04 -1.26 -0.51 114.94 123.17 1xyo s ASN 44 Ca 0.00 0.04 -0.13 0.00 0.04 0.00 0.00 52.86 52.81 1xyo s ASN 44 Cb 0.00 -1.94 0.02 0.00 -1.54 0.00 0.00 41.25 37.79 1xyo s ASN 44 CO 0.00 0.16 0.30 0.72 -3.04 0.00 0.00 177.10 175.24 1xyo s PHE 45 N 0.44 -0.04 -0.11 0.43 -0.12 -0.83 -1.50 117.98 116.24 1xyo s PHE 45 Ca 0.02 -0.29 -0.06 0.00 -0.05 0.00 0.00 56.93 56.56 1xyo s PHE 45 Cb -0.13 0.10 0.05 0.00 -0.63 0.00 0.00 43.02 42.41 1xyo s PHE 45 CO 0.01 -0.60 0.26 0.08 -0.05 0.00 0.00 175.22 174.93 1xyo s VAL 46 N -3.57 -0.05 -0.09 -2.49 1.01 -0.25 -1.83 120.40 113.13 1xyo s VAL 46 Ca 0.02 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 1xyo s VAL 46 Cb 0.03 -0.41 0.05 0.00 0.00 0.00 0.00 36.38 36.04 1xyo s VAL 46 CO -0.10 0.06 0.49 -0.83 0.00 0.00 0.00 175.10 174.73 1xyo s GLY 47 N 1.32 -0.36 0.00 4.51 0.00 -0.58 -0.92 107.32 111.28 1xyo s GLY 47 Ca -0.09 1.03 0.00 0.00 0.00 0.00 0.00 44.72 45.66 1xyo s GLY 47 CO -0.09 0.78 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1xyo n GLY 48 N 1.73 -1.30 3.31 0.20 0.00 -0.66 -0.98 105.19 107.48 1xyo n GLY 48 Ca -0.18 -0.99 -0.22 0.00 0.00 0.00 0.00 46.02 44.63 1xyo n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xyo s LYS 49 N -1.49 1.20 0.00 1.61 1.02 -1.02 -1.71 119.74 119.36 1xyo s LYS 49 Ca 0.00 -1.32 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1xyo s LYS 49 Cb 0.00 -1.30 0.00 0.00 -0.52 0.00 0.00 37.83 36.01 1xyo s LYS 49 CO 0.00 0.27 0.00 0.41 -0.92 0.00 0.00 175.35 175.11 1xyo n GLY 50 N 0.54 -0.48 3.16 -3.33 0.00 0.47 -0.86 105.19 104.69 1xyo n GLY 50 Ca -0.15 0.30 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 1xyo n GLY 50 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyo s TRP 51 N 0.00 1.06 -0.26 1.61 0.51 -0.00 -1.25 118.94 120.61 1xyo s TRP 51 Ca 0.00 -0.57 -0.01 0.00 -2.12 0.00 0.00 56.10 53.40 1xyo s TRP 51 Cb 0.00 -0.59 0.13 0.00 -0.81 0.00 0.00 33.47 32.20 1xyo s TRP 51 CO 0.00 0.01 0.31 -1.14 -0.51 0.00 0.00 176.95 175.62 1xyo s GLN 52 N -2.30 0.31 0.59 4.98 2.00 -1.26 -0.95 119.66 123.03 1xyo s GLN 52 Ca 0.01 0.10 -0.09 0.00 -2.00 0.00 0.00 55.36 53.38 1xyo s GLN 52 Cb -0.06 -0.69 -0.02 0.00 0.80 0.00 0.00 33.01 33.04 1xyo s GLN 52 CO 0.01 -0.88 0.95 -1.25 -0.50 0.00 0.00 175.29 173.62 1xyo s PRO 53 N 2.41 3.36 0.39 1.67 0.04 -1.26 -5.02 135.00 136.60 1xyo s PRO 53 Ca 0.10 0.43 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 1xyo s PRO 53 Cb -0.14 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.29 1xyo s PRO 53 CO -0.25 -0.55 0.54 0.41 0.04 0.00 0.00 177.00 177.19 1xyo n GLY 54 N -2.62 0.35 3.37 0.56 0.00 -0.17 -4.90 105.19 101.78 1xyo n GLY 54 Ca 0.04 -1.94 -0.20 0.00 0.00 0.00 0.00 46.02 43.93 1xyo n GLY 54 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyo s THR 55 N -1.64 0.52 -2.33 2.61 -4.23 -1.26 -4.78 115.64 104.54 1xyo s THR 55 Ca 0.35 -2.00 0.27 0.00 -1.18 0.00 0.00 61.69 59.12 1xyo s THR 55 Cb -0.02 -2.55 0.40 0.00 1.34 0.00 0.00 72.50 71.68 1xyo s THR 55 CO 0.23 0.00 1.60 0.29 -0.54 0.00 0.00 174.62 176.21 1xyo n LYS 56 N -0.62 1.49 -0.71 3.99 5.02 -1.26 -4.14 118.16 121.92 1xyo n LYS 56 Ca -0.01 -0.95 0.03 0.00 -2.02 0.00 0.00 58.31 55.36 1xyo n LYS 56 Cb 0.65 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.22 1xyo n LYS 56 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1xyo n ASN 57 N 0.07 0.72 -4.76 4.39 6.94 -1.26 -3.66 115.26 117.70 1xyo n ASN 57 Ca 0.16 -2.29 -0.41 0.00 -0.02 0.00 0.00 54.58 52.03 1xyo n ASN 57 Cb 0.39 -0.28 -0.03 0.00 -2.36 0.00 0.00 39.78 37.49 1xyo n ASN 57 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xyo s LYS 58 N -0.63 4.51 -0.29 -3.83 2.20 -1.26 -4.74 119.74 115.70 1xyo s LYS 58 Ca 0.16 1.97 -0.08 0.00 -0.36 0.00 0.00 55.97 57.66 1xyo s LYS 58 Cb 0.17 -3.15 -0.01 0.00 -1.51 0.00 0.00 37.83 33.33 1xyo s LYS 58 CO -0.05 0.02 0.11 0.08 -0.36 0.00 0.00 175.35 175.15 1xyo s VAL 59 N -0.99 4.33 -0.16 4.02 1.01 -1.26 -2.26 120.40 125.09 1xyo s VAL 59 Ca 0.47 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 1xyo s VAL 59 Cb -0.35 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 1xyo s VAL 59 CO 0.45 0.14 0.06 -0.63 0.00 0.00 0.00 175.10 175.12 1xyo s ILE 60 N 1.58 4.81 -0.04 2.22 1.01 0.28 -4.93 121.20 126.13 1xyo s ILE 60 Ca 0.04 -0.04 0.03 0.00 0.00 0.00 0.00 60.65 60.69 1xyo s ILE 60 Cb -0.17 -3.13 -0.03 0.00 0.01 0.00 0.00 42.46 39.14 1xyo s ILE 60 CO 0.04 0.51 -0.11 0.20 0.00 0.00 0.00 174.94 175.59 1xyo s ASN 61 N -0.07 4.33 -0.02 3.58 0.01 -0.24 0.19 114.94 122.71 1xyo s ASN 61 Ca 0.07 -0.15 -0.13 0.00 -0.71 0.00 0.00 52.86 51.93 1xyo s ASN 61 Cb -0.12 -0.98 0.02 0.00 0.41 0.00 0.00 41.25 40.58 1xyo s ASN 61 CO 0.01 0.33 0.28 0.72 -1.51 0.00 0.00 177.10 176.93 1xyo s PHE 62 N -0.83 -0.16 0.16 2.20 -0.71 -0.46 -1.35 117.98 116.83 1xyo s PHE 62 Ca 0.13 0.27 -0.20 0.00 -1.04 0.00 0.00 56.93 56.09 1xyo s PHE 62 Cb -0.11 0.08 0.05 0.00 -1.21 0.00 0.00 43.02 41.83 1xyo s PHE 62 CO 0.03 -0.35 0.54 -1.54 -1.34 0.00 0.00 175.22 172.56 1xyo s SER 63 N -1.16 -0.42 0.00 1.98 1.04 -0.63 -0.87 113.70 113.65 1xyo s SER 63 Ca -0.12 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1xyo s SER 63 Cb -0.05 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.63 1xyo s SER 63 CO 0.03 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1xyo n GLY 64 N -0.33 0.90 3.48 7.32 0.00 -1.25 -0.16 105.19 115.15 1xyo n GLY 64 Ca -0.15 -1.84 -0.33 0.00 0.00 0.00 0.00 46.02 43.69 1xyo n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyo s SER 65 N -4.00 4.28 -0.24 1.61 1.04 0.32 -4.76 113.70 111.95 1xyo s SER 65 Ca 0.00 -0.18 -0.02 0.00 0.48 0.00 0.00 55.95 56.23 1xyo s SER 65 Cb 0.00 -1.25 0.07 0.00 0.10 0.00 0.00 66.02 64.94 1xyo s SER 65 CO 0.00 0.28 0.04 -0.47 0.98 0.00 0.00 173.24 174.07 1xyo s TYR 66 N -0.33 1.40 -0.63 5.02 5.04 -1.26 -0.36 117.35 126.24 1xyo s TYR 66 Ca 0.04 -1.25 0.05 0.00 -2.44 0.00 0.00 57.07 53.47 1xyo s TYR 66 Cb -0.13 -1.31 0.20 0.00 0.35 0.00 0.00 41.96 41.07 1xyo s TYR 66 CO 0.02 -0.72 0.55 0.09 -1.34 0.00 0.00 175.55 174.15 1xyo n ASN 67 N 4.94 2.54 -4.78 4.32 4.13 0.37 -5.02 115.26 121.76 1xyo n ASN 67 Ca -0.07 -3.12 -0.37 0.00 1.68 0.00 0.00 54.58 52.69 1xyo n ASN 67 Cb 0.45 -0.70 -0.05 0.00 -1.54 0.00 0.00 39.78 37.94 1xyo n ASN 67 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1xyo s PRO 68 N -1.52 4.44 -0.67 3.52 0.04 -1.26 -1.66 135.00 137.88 1xyo s PRO 68 Ca 0.31 1.43 0.05 0.00 0.04 0.00 0.00 61.00 62.83 1xyo s PRO 68 Cb 0.04 -2.73 0.21 0.00 0.04 0.00 0.00 34.50 32.05 1xyo s PRO 68 CO -0.13 0.12 0.61 -1.71 0.04 0.00 0.00 177.00 175.93 1xyo n ASN 69 N 0.37 3.32 0.00 6.66 5.15 0.11 -4.93 115.26 125.94 1xyo n ASN 69 Ca 0.03 -3.31 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1xyo n ASN 69 Cb 0.49 -0.72 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 1xyo n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1xyo n GLY 70 N 1.46 0.22 3.62 8.20 0.00 -1.26 -2.61 105.19 114.82 1xyo n GLY 70 Ca 0.24 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.83 1xyo n GLY 70 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1xyo s ASN 71 N -4.00 6.10 -0.15 1.61 3.04 -1.26 -2.54 114.94 117.73 1xyo s ASN 71 Ca 0.00 1.57 -0.33 0.00 0.04 0.00 0.00 52.86 54.14 1xyo s ASN 71 Cb 0.00 -2.53 0.13 0.00 -1.54 0.00 0.00 41.25 37.32 1xyo s ASN 71 CO 0.00 -1.50 1.14 -0.55 -3.04 0.00 0.00 177.10 173.15 1xyo s SER 72 N 5.37 -0.19 0.05 -4.21 0.15 -1.26 -1.35 113.70 112.26 1xyo s SER 72 Ca 0.79 0.02 -0.10 0.00 0.70 0.00 0.00 55.95 57.36 1xyo s SER 72 Cb -0.26 0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.26 1xyo s SER 72 CO 0.32 -0.31 0.21 -0.72 1.20 0.00 0.00 173.24 173.94 1xyo s TYR 73 N -2.43 0.04 -0.19 3.44 -0.85 -0.71 -0.09 117.35 116.56 1xyo s TYR 73 Ca 0.08 -0.27 -0.01 0.00 -0.52 0.00 0.00 57.07 56.35 1xyo s TYR 73 Cb -0.01 -0.01 0.00 0.00 0.38 0.00 0.00 41.96 42.32 1xyo s TYR 73 CO -0.05 -0.46 -0.13 -1.17 -1.52 0.00 0.00 175.55 172.22 1xyo s LEU 74 N -2.18 2.52 0.17 -3.49 2.96 0.51 -1.11 118.68 118.05 1xyo s LEU 74 Ca -0.04 -0.50 -0.18 0.00 -0.22 0.00 0.00 54.13 53.20 1xyo s LEU 74 Cb -0.00 -1.60 0.04 0.00 0.50 0.00 0.00 46.19 45.12 1xyo s LEU 74 CO -0.05 0.02 0.50 -0.94 -1.32 0.00 0.00 176.35 174.57 1xyo s SER 75 N 1.19 -0.31 0.01 3.68 1.04 -0.29 -1.06 113.70 117.95 1xyo s SER 75 Ca 0.02 -0.34 -0.27 0.00 0.48 0.00 0.00 55.95 55.84 1xyo s SER 75 Cb -0.14 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.49 1xyo s SER 75 CO -0.05 -0.98 0.87 -0.69 0.98 0.00 0.00 173.24 173.37 1xyo s VAL 76 N -3.83 4.84 -0.01 5.02 1.01 0.11 0.04 120.40 127.57 1xyo s VAL 76 Ca 0.06 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.87 1xyo s VAL 76 Cb -0.00 -4.21 0.01 0.00 0.00 0.00 0.00 36.38 32.17 1xyo s VAL 76 CO -0.08 0.24 -0.02 -0.47 0.00 0.00 0.00 175.10 174.78 1xyo s TYR 77 N 0.61 0.27 0.16 5.22 5.04 0.73 -0.85 117.35 128.52 1xyo s TYR 77 Ca 0.45 -0.03 -0.13 0.00 -2.44 0.00 0.00 57.07 54.92 1xyo s TYR 77 Cb -0.20 -0.24 0.05 0.00 0.35 0.00 0.00 41.96 41.91 1xyo s TYR 77 CO 0.25 -0.04 0.62 0.41 -1.34 0.00 0.00 175.55 175.44 1xyo n GLY 78 N 3.37 1.00 3.22 8.97 0.00 -0.91 -0.84 105.19 119.99 1xyo n GLY 78 Ca -0.17 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.62 1xyo n GLY 78 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyo s TRP 79 N -3.83 1.13 0.07 1.61 0.52 -1.11 -1.08 118.94 116.24 1xyo s TRP 79 Ca 0.13 -0.89 0.02 0.00 0.02 0.00 0.00 56.10 55.39 1xyo s TRP 79 Cb -0.02 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.64 1xyo s TRP 79 CO 0.05 -0.08 -0.08 0.45 0.02 0.00 0.00 176.95 177.31 1xyo s SER 80 N -3.13 1.04 0.12 2.95 0.15 0.08 -1.38 113.70 113.52 1xyo s SER 80 Ca 0.17 -0.76 0.09 0.00 0.70 0.00 0.00 55.95 56.15 1xyo s SER 80 Cb 0.05 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 1xyo s SER 80 CO -0.00 -0.31 -0.21 -0.13 1.20 0.00 0.00 173.24 173.78 1xyo s ARG 81 N -2.60 1.19 -0.91 5.44 0.52 0.24 -1.81 118.95 121.02 1xyo s ARG 81 Ca 0.00 -1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 53.90 1xyo s ARG 81 Cb -0.03 -1.44 0.01 0.00 0.52 0.00 0.00 34.95 34.00 1xyo s ARG 81 CO -0.02 0.33 0.66 0.09 0.02 0.00 0.00 175.30 176.38 1xyo n ASN 82 N 0.90 -5.30 -4.84 0.23 3.02 -1.26 -0.95 115.26 107.06 1xyo n ASN 82 Ca -0.18 -0.88 -0.32 0.00 -0.03 0.00 0.00 54.58 53.17 1xyo n ASN 82 Cb 0.54 -2.50 -0.04 0.00 -0.61 0.00 0.00 39.78 37.16 1xyo n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1xyo s PRO 83 N -5.14 4.00 -0.41 3.52 0.04 -1.26 -3.89 135.00 131.86 1xyo s PRO 83 Ca 0.14 0.96 -0.29 0.00 0.04 0.00 0.00 61.00 61.85 1xyo s PRO 83 Cb -0.06 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.33 1xyo s PRO 83 CO 0.88 -0.20 1.23 -1.17 0.04 0.00 0.00 177.00 177.78 1xyo s LEU 84 N -3.85 3.71 -0.00 -3.56 2.96 -1.26 -4.55 118.68 112.13 1xyo s LEU 84 Ca 0.59 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 55.29 1xyo s LEU 84 Cb -0.10 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.05 1xyo s LEU 84 CO 0.27 -1.22 -0.02 -0.63 -1.32 0.00 0.00 176.35 173.44 1xyo s ILE 85 N 4.58 0.17 -0.19 6.68 -1.09 -0.75 -3.96 121.20 126.65 1xyo s ILE 85 Ca 0.53 -0.07 -0.04 0.00 -2.23 0.00 0.00 60.65 58.83 1xyo s ILE 85 Cb -0.11 -0.16 -0.02 0.00 -1.58 0.00 0.00 42.46 40.58 1xyo s ILE 85 CO 0.28 0.06 -0.03 -0.70 -1.23 0.00 0.00 174.94 173.32 1xyo s GLU 86 N 0.06 3.53 0.19 2.79 2.12 -1.01 -0.74 118.70 125.64 1xyo s GLU 86 Ca -0.00 -0.57 0.07 0.00 0.36 0.00 0.00 54.97 54.83 1xyo s GLU 86 Cb -0.02 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 1xyo s GLU 86 CO -0.00 0.01 -0.14 1.52 -0.54 0.00 0.00 175.26 176.11 1xyo s TYR 87 N 0.96 1.64 -0.04 5.30 -0.85 -0.24 -1.45 117.35 122.68 1xyo s TYR 87 Ca 0.00 -0.58 -0.02 0.00 -0.52 0.00 0.00 57.07 55.95 1xyo s TYR 87 Cb -0.15 -0.78 0.02 0.00 0.38 0.00 0.00 41.96 41.43 1xyo s TYR 87 CO 0.01 0.30 0.09 0.71 -1.52 0.00 0.00 175.55 175.15 1xyo s TYR 88 N -2.83 -0.09 -0.42 -3.49 1.51 -0.23 -2.15 117.35 109.64 1xyo s TYR 88 Ca 0.20 0.29 0.04 0.00 -1.01 0.00 0.00 57.07 56.58 1xyo s TYR 88 Cb -0.01 -0.04 0.11 0.00 -0.11 0.00 0.00 41.96 41.91 1xyo s TYR 88 CO 0.06 -0.09 0.15 0.42 -1.11 0.00 0.00 175.55 174.98 1xyo s ILE 89 N 0.54 2.26 -0.24 2.71 1.01 -0.03 -0.83 121.20 126.61 1xyo s ILE 89 Ca -0.04 -2.71 -0.27 0.00 0.00 0.00 0.00 60.65 57.63 1xyo s ILE 89 Cb -0.06 -2.62 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1xyo s ILE 89 CO -0.02 -0.71 0.93 -0.69 0.00 0.00 0.00 174.94 174.45 1xyo s VAL 90 N 0.41 4.75 -0.12 2.92 1.01 0.85 -0.71 120.40 129.50 1xyo s VAL 90 Ca 0.14 1.76 0.19 0.00 0.00 0.00 0.00 61.98 64.07 1xyo s VAL 90 Cb -0.22 -4.22 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 1xyo s VAL 90 CO -0.05 -0.15 0.43 -0.62 0.00 0.00 0.00 175.10 174.71 1xyo n GLU 91 N 6.20 0.66 -3.53 2.72 -0.58 -0.23 -0.81 120.64 125.07 1xyo n GLU 91 Ca 0.09 -0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.68 1xyo n GLU 91 Cb 0.47 -1.61 -0.05 0.00 -0.57 0.00 0.00 31.44 29.68 1xyo n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1xyo s ASN 92 N -5.26 -0.55 0.12 1.62 3.04 -1.14 -1.93 114.94 110.83 1xyo s ASN 92 Ca -0.07 0.54 -0.13 0.00 0.04 0.00 0.00 52.86 53.24 1xyo s ASN 92 Cb 0.09 0.46 0.02 0.00 -1.54 0.00 0.00 41.25 40.28 1xyo s ASN 92 CO 0.85 -0.55 0.32 0.72 -3.04 0.00 0.00 177.10 175.40 1xyo s PHE 93 N -1.41 -0.04 0.00 0.43 -0.12 -1.26 -0.37 117.98 115.22 1xyo s PHE 93 Ca -0.07 -0.33 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1xyo s PHE 93 Cb -0.00 0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.51 1xyo s PHE 93 CO 0.05 -0.65 0.00 0.41 -0.05 0.00 0.00 175.22 174.98 1xyo n GLY 94 N -0.17 0.97 0.11 1.99 0.00 0.87 -4.90 105.19 104.07 1xyo n GLY 94 Ca -0.15 -0.01 -0.00 0.00 0.00 0.00 0.00 46.02 45.85 1xyo n GLY 94 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xyo h THR 95 N 0.00 1.09 -3.44 2.61 1.35 -1.76 -3.46 112.91 109.30 1xyo h THR 95 Ca 0.00 -2.56 -0.67 0.00 -0.55 0.00 0.00 66.41 62.63 1xyo h THR 95 Cb 0.00 2.53 -0.29 0.00 -1.73 0.00 0.00 68.15 68.66 1xyo h THR 95 CO 0.00 0.62 -0.82 -0.47 -0.25 0.00 0.00 175.52 174.60 1xyo s TYR 96 N -2.88 2.68 -0.38 4.73 5.04 -1.26 -5.02 117.35 120.26 1xyo s TYR 96 Ca 0.03 -0.76 -0.29 0.00 -2.44 0.00 0.00 57.07 53.61 1xyo s TYR 96 Cb 0.08 -1.76 0.01 0.00 0.35 0.00 0.00 41.96 40.65 1xyo s TYR 96 CO 0.77 -0.26 1.22 1.21 -1.34 0.00 0.00 175.55 177.16 1xyo s ASN 97 N 0.23 6.66 0.45 4.32 3.84 -1.26 -4.77 114.94 124.40 1xyo s ASN 97 Ca -0.12 0.88 0.29 0.00 0.21 0.00 0.00 52.86 54.13 1xyo s ASN 97 Cb -0.16 -2.54 1.59 0.00 -0.55 0.00 0.00 41.25 39.59 1xyo s ASN 97 CO 0.06 -1.15 1.89 1.55 -2.79 0.00 0.00 177.10 176.67 1xyo h PRO 98 N 9.24 0.00 -0.01 0.43 0.13 -1.98 -1.65 132.00 138.17 1xyo h PRO 98 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 1xyo h PRO 98 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1xyo h PRO 98 CO 1.07 0.00 -0.01 -1.13 -0.23 0.00 0.00 178.00 177.70 1xyo n SER 99 N -2.54 1.04 -4.68 1.44 3.41 -1.26 -4.90 113.62 106.13 1xyo n SER 99 Ca -0.02 -1.33 -0.46 0.00 -0.26 0.00 0.00 58.87 56.81 1xyo n SER 99 Cb 0.07 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 1xyo n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1xyo n THR 100 N -0.20 0.05 0.00 6.66 -1.04 -0.62 -1.16 114.28 117.97 1xyo n THR 100 Ca 0.20 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1xyo n THR 100 Cb 0.28 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 1xyo n THR 100 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xyo n GLY 101 N 3.57 1.13 3.91 3.41 0.00 -1.26 -5.05 105.19 110.90 1xyo n GLY 101 Ca 0.17 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 1xyo n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyo s ALA 102 N -2.30 3.38 -0.20 4.61 0.00 -0.31 -5.03 121.76 121.91 1xyo s ALA 102 Ca 0.00 -0.58 -0.17 0.00 0.00 0.00 0.00 51.96 51.21 1xyo s ALA 102 Cb 0.00 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.50 1xyo s ALA 102 CO 0.00 -0.51 0.44 0.99 0.00 0.00 0.00 175.76 176.68 1xyo s THR 103 N -2.82 5.17 -0.05 0.00 2.01 -0.59 -4.86 115.64 114.49 1xyo s THR 103 Ca 0.50 0.80 -0.30 0.00 0.31 0.00 0.00 61.69 62.99 1xyo s THR 103 Cb -0.10 -3.77 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 1xyo s THR 103 CO 0.45 0.23 1.19 -0.75 -0.69 0.00 0.00 174.62 175.05 1xyo s LYS 104 N 1.39 4.36 -0.24 4.92 2.20 -1.26 -1.32 119.74 129.80 1xyo s LYS 104 Ca 0.21 1.67 0.07 0.00 -0.36 0.00 0.00 55.97 57.56 1xyo s LYS 104 Cb -0.15 -3.54 -0.20 0.00 -1.51 0.00 0.00 37.83 32.43 1xyo s LYS 104 CO 0.09 -0.42 -0.13 1.28 -0.36 0.00 0.00 175.35 175.80 1xyo n LEU 105 N 5.08 1.99 0.00 5.43 4.32 0.22 -4.97 117.00 129.07 1xyo n LEU 105 Ca 0.11 -0.09 0.00 0.00 -0.02 0.00 0.00 56.01 56.00 1xyo n LEU 105 Cb 0.46 -0.44 0.00 0.00 -1.62 0.00 0.00 43.42 41.82 1xyo n LEU 105 CO 0.55 0.79 0.00 0.61 -1.22 0.00 0.00 177.39 178.12 1xyo n GLY 106 N 2.10 -0.69 3.11 -0.72 0.00 -1.21 -5.02 105.19 102.76 1xyo n GLY 106 Ca -0.41 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.07 1xyo n GLY 106 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xyo s GLU 107 N -0.10 0.54 -0.03 1.61 2.02 -1.26 -0.93 118.70 120.55 1xyo s GLU 107 Ca 0.00 -0.60 -0.06 0.00 0.02 0.00 0.00 54.97 54.33 1xyo s GLU 107 Cb 0.00 0.22 0.01 0.00 0.10 0.00 0.00 34.13 34.46 1xyo s GLU 107 CO 0.00 -0.13 0.15 0.54 0.02 0.00 0.00 175.26 175.84 1xyo s VAL 108 N -2.06 0.04 -0.20 2.63 0.11 -0.18 -4.96 120.40 115.78 1xyo s VAL 108 Ca -0.10 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 58.56 1xyo s VAL 108 Cb -0.04 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1xyo s VAL 108 CO -0.02 -0.17 0.10 -0.89 -3.33 0.00 0.00 175.10 170.79 1xyo s THR 109 N -0.56 5.00 -0.22 5.04 2.01 -1.26 0.45 115.64 126.09 1xyo s THR 109 Ca -0.06 0.05 -0.20 0.00 0.31 0.00 0.00 61.69 61.79 1xyo s THR 109 Cb -0.04 -3.29 0.06 0.00 0.01 0.00 0.00 72.50 69.24 1xyo s THR 109 CO 0.01 0.42 0.59 -0.55 -0.69 0.00 0.00 174.62 174.40 1xyo s SER 110 N 0.63 -0.64 -1.45 3.53 0.15 -0.19 -4.98 113.70 110.75 1xyo s SER 110 Ca 0.05 1.21 -0.04 0.00 0.70 0.00 0.00 55.95 57.87 1xyo s SER 110 Cb -0.13 1.20 0.03 0.00 -1.71 0.00 0.00 66.02 65.42 1xyo s SER 110 CO 0.01 -0.21 0.55 0.47 1.20 0.00 0.00 173.24 175.26 1xyo n ASP 111 N 2.96 -1.20 0.00 5.45 8.00 -1.26 -2.31 116.55 128.19 1xyo n ASP 111 Ca -0.15 -0.97 0.00 0.00 0.71 0.00 0.00 54.79 54.39 1xyo n ASP 111 Cb 0.56 -3.19 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 1xyo n ASP 111 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xyo n GLY 112 N -1.83 0.68 3.33 0.44 0.00 -1.26 -4.97 105.19 101.58 1xyo n GLY 112 Ca -0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 1xyo n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xyo s SER 113 N -2.28 -0.28 0.25 1.61 0.15 -0.98 -4.97 113.70 107.20 1xyo s SER 113 Ca 0.00 -0.09 -0.17 0.00 0.70 0.00 0.00 55.95 56.39 1xyo s SER 113 Cb 0.00 0.45 -0.08 0.00 -1.71 0.00 0.00 66.02 64.67 1xyo s SER 113 CO 0.00 -0.73 0.71 -0.69 1.20 0.00 0.00 173.24 173.73 1xyo s VAL 114 N -2.92 4.64 -0.01 4.45 1.01 -1.26 -1.03 120.40 125.29 1xyo s VAL 114 Ca -0.03 1.10 0.06 0.00 0.00 0.00 0.00 61.98 63.11 1xyo s VAL 114 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 1xyo s VAL 114 CO -0.06 0.06 -0.20 -0.31 0.00 0.00 0.00 175.10 174.59 1xyo s TYR 115 N -1.70 1.80 -0.14 5.22 1.51 0.17 -1.64 117.35 122.57 1xyo s TYR 115 Ca 0.47 -0.34 -0.13 0.00 -1.01 0.00 0.00 57.07 56.05 1xyo s TYR 115 Cb -0.14 -1.15 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 1xyo s TYR 115 CO 0.19 -0.03 0.30 -0.51 -1.11 0.00 0.00 175.55 174.39 1xyo s ASP 116 N -0.49 6.47 -0.16 2.29 1.01 -0.78 -1.01 116.67 123.99 1xyo s ASP 116 Ca 0.08 0.55 -0.10 0.00 0.71 0.00 0.00 52.55 53.79 1xyo s ASP 116 Cb -0.08 -2.18 -0.05 0.00 1.01 0.00 0.00 42.92 41.62 1xyo s ASP 116 CO -0.01 0.14 0.19 -0.63 0.21 0.00 0.00 175.17 175.07 1xyo s ILE 117 N 0.21 5.39 0.22 0.77 1.01 -0.11 -0.95 121.20 127.74 1xyo s ILE 117 Ca 0.17 0.31 0.01 0.00 0.00 0.00 0.00 60.65 61.15 1xyo s ILE 117 Cb -0.13 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 1xyo s ILE 117 CO 0.05 0.48 0.07 -0.31 0.00 0.00 0.00 174.94 175.23 1xyo s TYR 118 N -0.02 1.35 -0.04 3.97 1.51 -0.17 -0.61 117.35 123.34 1xyo s TYR 118 Ca 0.12 -1.16 -0.17 0.00 -1.01 0.00 0.00 57.07 54.85 1xyo s TYR 118 Cb -0.12 -0.77 0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1xyo s TYR 118 CO 0.02 -0.35 0.38 0.50 -1.11 0.00 0.00 175.55 174.98 1xyo s ARG 119 N -4.02 0.69 -0.11 -0.62 3.52 -0.44 -1.25 118.95 116.73 1xyo s ARG 119 Ca 0.33 0.01 -0.19 0.00 -0.13 0.00 0.00 55.73 55.74 1xyo s ARG 119 Cb 0.07 0.31 0.05 0.00 -1.56 0.00 0.00 34.95 33.82 1xyo s ARG 119 CO 0.10 -0.18 0.48 -0.08 -0.81 0.00 0.00 175.30 174.81 1xyo s THR 120 N -1.03 0.02 0.04 4.11 -1.32 -0.63 -1.55 115.64 115.28 1xyo s THR 120 Ca -0.11 -0.14 -0.09 0.00 -1.21 0.00 0.00 61.69 60.13 1xyo s THR 120 Cb -0.04 -0.74 -0.05 0.00 -1.51 0.00 0.00 72.50 70.16 1xyo s THR 120 CO 0.04 -0.08 0.35 -1.58 -2.21 0.00 0.00 174.62 171.15 1xyo s GLN 121 N -0.53 3.72 -0.16 7.08 0.74 -1.26 0.14 119.66 129.39 1xyo s GLN 121 Ca -0.06 0.13 0.01 0.00 0.05 0.00 0.00 55.36 55.48 1xyo s GLN 121 Cb -0.03 -3.06 0.02 0.00 1.10 0.00 0.00 33.01 31.04 1xyo s GLN 121 CO 0.04 0.61 -0.17 1.03 -0.55 0.00 0.00 175.29 176.25 1xyo s ARG 122 N -1.72 2.61 -0.22 1.67 1.81 0.66 -4.95 118.95 118.81 1xyo s ARG 122 Ca 0.30 -0.68 -0.09 0.00 -1.72 0.00 0.00 55.73 53.54 1xyo s ARG 122 Cb -0.14 -2.30 -0.04 0.00 -0.45 0.00 0.00 34.95 32.02 1xyo s ARG 122 CO 0.16 -0.21 0.11 0.08 -0.68 0.00 0.00 175.30 174.76 1xyo s VAL 123 N 1.36 4.96 -1.29 3.52 1.01 -1.26 -1.33 120.40 127.36 1xyo s VAL 123 Ca 0.04 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.97 1xyo s VAL 123 Cb -0.13 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 1xyo s VAL 123 CO -0.11 0.39 0.59 0.59 0.00 0.00 0.00 175.10 176.56 1xyo n ASN 124 N 4.10 -2.35 -4.68 3.32 3.02 -0.79 -4.95 115.26 112.93 1xyo n ASN 124 Ca -0.16 -1.00 -0.24 0.00 -0.03 0.00 0.00 54.58 53.15 1xyo n ASN 124 Cb 0.52 -3.22 -0.07 0.00 -0.61 0.00 0.00 39.78 36.40 1xyo n ASN 124 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1xyo s GLN 125 N -6.31 2.43 0.51 3.52 -1.52 -0.02 -4.73 119.66 113.53 1xyo s GLN 125 Ca 0.19 -1.24 -0.22 0.00 -1.95 0.00 0.00 55.36 52.14 1xyo s GLN 125 Cb -0.07 -2.30 -0.06 0.00 -0.22 0.00 0.00 33.01 30.36 1xyo s GLN 125 CO 0.87 0.41 1.29 -2.14 -0.25 0.00 0.00 175.29 175.47 1xyo s PRO 126 N -3.39 3.37 0.37 2.91 0.02 -1.26 -1.25 135.00 135.78 1xyo s PRO 126 Ca 0.30 2.08 -0.06 0.00 0.02 0.00 0.00 61.00 63.34 1xyo s PRO 126 Cb -0.08 -2.32 0.02 0.00 0.02 0.00 0.00 34.50 32.14 1xyo s PRO 126 CO 0.20 -0.95 0.58 -1.54 -0.33 0.00 0.00 177.00 174.96 1xyo s SER 127 N -1.08 0.73 0.21 2.53 1.04 -0.69 -4.85 113.70 111.58 1xyo s SER 127 Ca 0.68 -1.43 0.20 0.00 0.48 0.00 0.00 55.95 55.88 1xyo s SER 127 Cb -0.36 0.74 0.90 0.00 0.10 0.00 0.00 66.02 67.39 1xyo s SER 127 CO 0.43 -1.45 1.61 2.30 0.98 0.00 0.00 173.24 177.11 1xyo n ILE 128 N -0.58 0.99 -0.06 -1.02 -5.35 -1.26 -1.84 119.36 110.25 1xyo n ILE 128 Ca -0.02 0.37 0.02 0.00 -0.27 0.00 0.00 62.75 62.85 1xyo n ILE 128 Cb 0.61 -1.30 0.06 0.00 -1.74 0.00 0.00 39.64 37.27 1xyo n ILE 128 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 1xyo n ILE 129 N -2.07 0.97 0.00 7.28 -5.35 -1.26 -5.11 119.36 113.81 1xyo n ILE 129 Ca 0.01 -0.98 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1xyo n ILE 129 Cb 0.16 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1xyo n ILE 129 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1xyo n GLY 130 N -0.11 -0.90 3.65 3.28 0.00 -0.76 -4.94 105.19 105.40 1xyo n GLY 130 Ca 0.04 -2.14 -0.42 0.00 0.00 0.00 0.00 46.02 43.49 1xyo n GLY 130 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyo s THR 131 N 0.00 3.47 0.31 2.61 2.01 -1.26 -1.71 115.64 121.07 1xyo s THR 131 Ca 0.00 0.56 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 1xyo s THR 131 Cb 0.00 -3.40 0.01 0.00 0.01 0.00 0.00 72.50 69.12 1xyo s THR 131 CO 0.00 -0.10 0.54 0.00 -0.69 0.00 0.00 174.62 174.37 1xyo s ALA 132 N 4.65 0.02 -0.13 7.40 0.00 -0.38 -4.88 121.76 128.43 1xyo s ALA 132 Ca 0.77 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.67 1xyo s ALA 132 Cb -0.33 1.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 1xyo s ALA 132 CO 0.32 -0.86 -0.17 0.99 0.00 0.00 0.00 175.76 176.04 1xyo s THR 133 N -3.35 2.59 0.22 0.00 2.01 -1.26 -0.84 115.64 115.01 1xyo s THR 133 Ca 0.24 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.24 1xyo s THR 133 Cb -0.02 -2.06 0.03 0.00 0.01 0.00 0.00 72.50 70.46 1xyo s THR 133 CO 0.14 0.53 0.57 0.72 -0.69 0.00 0.00 174.62 175.89 1xyo s PHE 134 N 0.56 -0.13 0.30 4.92 -0.71 -0.44 -4.98 117.98 117.50 1xyo s PHE 134 Ca -0.10 -0.23 -0.04 0.00 -1.04 0.00 0.00 56.93 55.51 1xyo s PHE 134 Cb -0.16 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.06 1xyo s PHE 134 CO 0.04 -1.00 0.55 0.71 -1.34 0.00 0.00 175.22 174.18 1xyo s TYR 135 N -3.89 3.48 -0.12 3.49 2.02 -1.25 -0.24 117.35 120.83 1xyo s TYR 135 Ca 0.10 0.60 0.03 0.00 -0.37 0.00 0.00 57.07 57.44 1xyo s TYR 135 Cb -0.02 -2.08 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 1xyo s TYR 135 CO -0.00 0.16 -0.23 -0.65 -1.57 0.00 0.00 175.55 173.26 1xyo s GLN 136 N -3.66 3.04 -0.09 -0.62 -0.21 0.12 -2.40 119.66 115.85 1xyo s GLN 136 Ca 0.43 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.94 1xyo s GLN 136 Cb -0.11 -2.38 -0.03 0.00 1.00 0.00 0.00 33.01 31.49 1xyo s GLN 136 CO 0.31 0.07 -0.04 0.71 -2.12 0.00 0.00 175.29 174.23 1xyo s TYR 137 N 0.60 3.04 -0.04 0.91 1.51 -0.53 -1.61 117.35 121.24 1xyo s TYR 137 Ca -0.12 0.05 0.03 0.00 -1.01 0.00 0.00 57.07 56.02 1xyo s TYR 137 Cb -0.17 -1.77 0.00 0.00 -0.11 0.00 0.00 41.96 39.91 1xyo s TYR 137 CO 0.03 0.34 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.11 1xyo s TRP 138 N -0.70 1.30 -0.20 2.71 0.52 -0.38 -1.07 118.94 121.13 1xyo s TRP 138 Ca 0.11 -0.36 0.01 0.00 0.02 0.00 0.00 56.10 55.88 1xyo s TRP 138 Cb -0.11 -0.90 0.04 0.00 -1.15 0.00 0.00 33.47 31.34 1xyo s TRP 138 CO 0.02 -0.14 -0.11 -1.12 0.02 0.00 0.00 176.95 175.62 1xyo s SER 139 N 0.17 3.45 -0.26 2.95 0.01 -0.01 -1.00 113.70 119.00 1xyo s SER 139 Ca -0.04 -0.90 -0.04 0.00 1.31 0.00 0.00 55.95 56.27 1xyo s SER 139 Cb -0.10 -1.28 0.01 0.00 0.21 0.00 0.00 66.02 64.86 1xyo s SER 139 CO 0.01 -0.13 0.00 -0.69 0.41 0.00 0.00 173.24 172.84 1xyo s VAL 140 N 1.36 3.44 0.16 3.43 1.01 -0.13 -0.11 120.40 129.57 1xyo s VAL 140 Ca -0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 61.98 60.87 1xyo s VAL 140 Cb -0.16 -2.73 -0.09 0.00 0.00 0.00 0.00 36.38 33.39 1xyo s VAL 140 CO -0.08 0.18 1.48 -0.60 0.00 0.00 0.00 175.10 176.08 1xyo s ARG 141 N 1.43 4.27 0.00 2.72 3.52 0.01 -1.87 118.95 129.03 1xyo s ARG 141 Ca 0.02 2.24 -0.23 0.00 -0.13 0.00 0.00 55.73 57.63 1xyo s ARG 141 Cb -0.16 -3.19 -0.18 0.00 -1.56 0.00 0.00 34.95 29.86 1xyo s ARG 141 CO -0.01 -0.51 1.24 0.00 -0.81 0.00 0.00 175.30 175.21 1xyo h ARG 142 N 6.57 0.23 -5.05 5.12 3.08 -1.65 -3.40 114.38 119.28 1xyo h ARG 142 Ca -0.43 -0.15 -0.67 0.00 0.07 0.00 0.00 59.98 58.80 1xyo h ARG 142 Cb 1.21 0.02 -0.17 0.00 0.08 0.00 0.00 29.97 31.10 1xyo h ARG 142 CO 0.88 0.73 0.25 -0.80 -1.07 0.00 0.00 179.97 179.96 1xyo s ASN 143 N -6.08 6.20 0.47 7.04 0.01 -1.26 -5.03 114.94 116.29 1xyo s ASN 143 Ca -0.15 -1.10 -0.24 0.00 -0.71 0.00 0.00 52.86 50.66 1xyo s ASN 143 Cb 0.03 -2.34 -0.07 0.00 0.41 0.00 0.00 41.25 39.28 1xyo s ASN 143 CO 0.73 -1.16 1.35 -1.00 -1.51 0.00 0.00 177.10 175.52 1xyo s HIS 144 N 3.14 2.54 0.10 2.20 3.76 -1.26 -4.98 115.29 120.78 1xyo s HIS 144 Ca 0.17 1.36 -0.22 0.00 -0.15 0.00 0.00 55.06 56.22 1xyo s HIS 144 Cb -0.20 -3.77 0.06 0.00 1.11 0.00 0.00 32.58 29.77 1xyo s HIS 144 CO 0.10 -2.58 0.53 -0.98 -0.85 0.00 0.00 174.74 170.95 1xyo s ARG 145 N -2.55 1.13 0.00 1.40 1.70 -0.81 -5.02 118.95 114.79 1xyo s ARG 145 Ca 0.63 -0.40 0.06 0.00 -0.47 0.00 0.00 55.73 55.55 1xyo s ARG 145 Cb -0.40 0.51 0.10 0.00 -0.57 0.00 0.00 34.95 34.59 1xyo s ARG 145 CO 0.50 -0.45 0.86 0.43 -1.08 0.00 0.00 175.30 175.57 1xyo n SER 146 N 0.01 1.89 -3.72 -2.89 7.64 -1.26 -4.19 113.62 111.10 1xyo n SER 146 Ca -0.17 -1.53 -0.14 0.00 1.01 0.00 0.00 58.87 58.04 1xyo n SER 146 Cb 0.63 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 1xyo n SER 146 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1xyo s SER 147 N -0.70 -0.35 0.00 6.43 1.04 -1.26 -3.80 113.70 115.06 1xyo s SER 147 Ca 0.10 0.50 0.00 0.00 0.48 0.00 0.00 55.95 57.02 1xyo s SER 147 Cb 0.06 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1xyo s SER 147 CO 0.08 -0.32 0.00 0.61 0.98 0.00 0.00 173.24 174.59 1xyo n GLY 148 N 1.98 -0.35 3.02 7.32 0.00 -0.05 -4.99 105.19 112.12 1xyo n GLY 148 Ca -0.17 -1.27 -0.22 0.00 0.00 0.00 0.00 46.02 44.36 1xyo n GLY 148 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xyo s SER 149 N -4.00 1.42 -0.21 1.61 0.15 -1.26 -1.36 113.70 110.06 1xyo s SER 149 Ca 0.00 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.41 1xyo s SER 149 Cb 0.00 -0.44 0.01 0.00 -1.71 0.00 0.00 66.02 63.88 1xyo s SER 149 CO 0.00 0.07 -0.11 -0.69 1.20 0.00 0.00 173.24 173.71 1xyo s VAL 150 N 0.27 2.80 -0.78 4.45 1.01 0.13 -4.80 120.40 123.48 1xyo s VAL 150 Ca -0.05 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.02 1xyo s VAL 150 Cb -0.10 -2.26 0.13 0.00 0.00 0.00 0.00 36.38 34.14 1xyo s VAL 150 CO 0.01 0.45 0.94 0.21 0.00 0.00 0.00 175.10 176.71 1xyo s ASN 151 N 1.39 6.46 0.50 3.32 3.84 -1.26 -0.56 114.94 128.63 1xyo s ASN 151 Ca 0.05 -1.82 0.21 0.00 0.21 0.00 0.00 52.86 51.52 1xyo s ASN 151 Cb -0.14 -2.35 1.28 0.00 -0.55 0.00 0.00 41.25 39.49 1xyo s ASN 151 CO -0.07 -1.06 2.00 0.71 -2.79 0.00 0.00 177.10 175.88 1xyo h THR 152 N 5.72 0.80 -0.82 -5.21 1.35 -1.77 -2.16 112.91 110.82 1xyo h THR 152 Ca -0.04 -0.04 0.06 0.00 -0.55 0.00 0.00 66.41 65.84 1xyo h THR 152 Cb 1.05 0.66 -0.05 0.00 -1.73 0.00 0.00 68.15 68.08 1xyo h THR 152 CO 1.06 0.02 0.53 0.00 -0.25 0.00 0.00 175.52 176.89 1xyo h ALA 153 N 1.74 1.58 -0.60 6.62 0.00 -1.77 -0.98 119.26 125.86 1xyo h ALA 153 Ca 0.24 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1xyo h ALA 153 Cb 0.80 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1xyo h ALA 153 CO -0.03 0.30 0.26 -0.91 0.00 0.00 0.00 179.25 178.88 1xyo h ASN 154 N 0.92 0.77 0.03 0.00 2.35 -1.73 0.04 115.58 117.95 1xyo h ASN 154 Ca 0.35 -0.09 -0.16 0.00 -0.55 0.00 0.00 56.30 55.85 1xyo h ASN 154 Cb 0.19 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.37 1xyo h ASN 154 CO -0.12 0.67 -0.65 0.45 -1.65 0.00 0.00 177.43 176.14 1xyo h HIS 155 N 0.84 0.60 -0.51 1.19 3.86 -1.47 -2.34 115.15 117.32 1xyo h HIS 155 Ca 0.21 -0.35 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 1xyo h HIS 155 Cb 0.13 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1xyo h HIS 155 CO 0.01 1.18 0.15 0.74 0.86 0.00 0.00 177.93 180.87 1xyo h PHE 156 N -0.15 0.77 -0.30 2.45 0.04 -0.98 -0.14 116.94 118.64 1xyo h PHE 156 Ca -0.09 -0.06 -0.08 0.00 2.80 0.00 0.00 57.97 60.55 1xyo h PHE 156 Cb 1.38 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 39.29 1xyo h PHE 156 CO 0.16 0.64 -0.13 -0.91 -0.60 0.00 0.00 178.31 177.46 1xyo h ASN 157 N 0.74 0.63 -0.39 2.17 -0.26 -1.05 -0.65 115.58 116.78 1xyo h ASN 157 Ca 0.17 -0.40 -0.01 0.00 -0.56 0.00 0.00 56.30 55.51 1xyo h ASN 157 Cb 0.23 -0.17 -0.02 0.00 -1.06 0.00 0.00 38.32 37.30 1xyo h ASN 157 CO -0.01 0.89 0.22 0.00 -1.06 0.00 0.00 177.43 177.47 1xyo h ALA 158 N 0.76 0.50 -0.41 -0.83 0.00 -1.00 -1.51 119.26 116.77 1xyo h ALA 158 Ca 0.07 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1xyo h ALA 158 Cb 0.64 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1xyo h ALA 158 CO 0.04 0.02 0.15 -1.49 0.00 0.00 0.00 179.25 177.97 1xyo h TRP 159 N 0.51 0.59 -0.22 0.00 6.55 -0.94 -2.12 115.95 120.33 1xyo h TRP 159 Ca 0.14 -0.03 -0.10 0.00 0.95 0.00 0.00 58.89 59.85 1xyo h TRP 159 Cb 0.05 -0.18 -0.01 0.00 -0.86 0.00 0.00 29.16 28.15 1xyo h TRP 159 CO -0.03 0.48 -0.29 0.00 -1.05 0.00 0.00 178.44 177.55 1xyo h ALA 160 N 1.58 1.10 0.00 1.49 0.00 -0.46 0.16 119.26 123.12 1xyo h ALA 160 Ca 0.14 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xyo h ALA 160 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1xyo h ALA 160 CO -0.01 0.56 0.00 1.04 0.00 0.00 0.00 179.25 180.84 1xyo n GLN 161 N -4.10 0.12 -0.26 0.00 6.02 -0.63 -2.14 117.38 116.40 1xyo n GLN 161 Ca -0.01 0.24 0.09 0.00 -0.01 0.00 0.00 57.00 57.32 1xyo n GLN 161 Cb 0.42 -1.69 0.23 0.00 1.02 0.00 0.00 30.24 30.23 1xyo n GLN 161 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 1xyo n GLN 162 N -1.91 2.62 0.00 -1.09 1.13 -0.82 -4.96 117.38 112.36 1xyo n GLN 162 Ca 0.04 -2.32 0.00 0.00 -1.94 0.00 0.00 57.00 52.78 1xyo n GLN 162 Cb 0.29 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.19 1xyo n GLN 162 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1xyo n GLY 163 N 1.21 0.42 3.63 1.08 0.00 -0.91 -5.06 105.19 105.56 1xyo n GLY 163 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1xyo n GLY 163 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1xyo s LEU 164 N 0.00 4.06 -0.42 0.99 2.96 0.49 -4.95 118.68 121.81 1xyo s LEU 164 Ca 0.00 0.95 -0.03 0.00 -0.22 0.00 0.00 54.13 54.83 1xyo s LEU 164 Cb 0.00 -3.25 0.11 0.00 0.50 0.00 0.00 46.19 43.55 1xyo s LEU 164 CO 0.00 -0.63 0.22 0.42 -1.32 0.00 0.00 176.35 175.04 1xyo s THR 165 N 3.06 3.27 0.53 3.68 -4.23 -1.26 -3.02 115.64 117.68 1xyo s THR 165 Ca 0.37 -2.15 -0.21 0.00 -1.18 0.00 0.00 61.69 58.52 1xyo s THR 165 Cb -0.14 -3.24 -0.05 0.00 1.34 0.00 0.00 72.50 70.40 1xyo s THR 165 CO 0.10 -0.70 1.21 -0.76 -0.54 0.00 0.00 174.62 173.93 1xyo s LEU 166 N 1.03 3.82 0.00 4.79 1.43 -1.26 -4.33 118.68 124.16 1xyo s LEU 166 Ca 0.09 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.60 1xyo s LEU 166 Cb -0.22 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.58 1xyo s LEU 166 CO -0.04 -1.33 0.00 0.61 0.23 0.00 0.00 176.35 175.82 1xyo n GLY 167 N 0.49 0.76 3.61 -3.19 0.00 -1.25 -4.85 105.19 100.75 1xyo n GLY 167 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1xyo n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyo s THR 168 N 1.81 4.96 0.07 2.61 2.01 -0.13 -4.89 115.64 122.08 1xyo s THR 168 Ca 0.00 0.98 -0.30 0.00 0.31 0.00 0.00 61.69 62.68 1xyo s THR 168 Cb 0.00 -3.97 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1xyo s THR 168 CO 0.00 -0.06 1.08 -0.04 -0.69 0.00 0.00 174.62 174.91 1xyo s MET 169 N 2.56 4.53 0.00 4.92 1.00 -1.26 -0.59 119.30 130.46 1xyo s MET 169 Ca 0.26 1.61 0.00 0.00 0.00 0.00 0.00 55.69 57.56 1xyo s MET 169 Cb -0.15 -3.37 0.00 0.00 0.00 0.00 0.00 34.83 31.30 1xyo s MET 169 CO 0.10 -0.08 0.00 -3.47 0.00 0.00 0.00 175.02 171.58 1xyo n ASP 170 N 3.50 0.00 -4.73 3.03 2.03 -0.48 -4.41 116.55 115.49 1xyo n ASP 170 Ca 0.06 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.06 1xyo n ASP 170 Cb 0.48 0.00 0.12 0.00 -0.72 0.00 0.00 41.12 41.00 1xyo n ASP 170 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1xyo s TYR 171 N 4.81 2.27 -0.25 -0.67 -0.85 -1.26 -1.00 117.35 120.40 1xyo s TYR 171 Ca 0.00 1.59 -0.02 0.00 -0.52 0.00 0.00 57.07 58.12 1xyo s TYR 171 Cb 0.00 -3.14 0.13 0.00 0.38 0.00 0.00 41.96 39.33 1xyo s TYR 171 CO 0.00 -2.17 0.37 -1.14 -1.52 0.00 0.00 175.55 171.09 1xyo s GLN 172 N -4.83 0.34 0.28 -3.49 0.74 -0.13 -2.77 119.66 109.81 1xyo s GLN 172 Ca 0.63 0.46 0.03 0.00 0.05 0.00 0.00 55.36 56.53 1xyo s GLN 172 Cb -0.19 -0.52 -0.06 0.00 1.10 0.00 0.00 33.01 33.35 1xyo s GLN 172 CO 0.57 -0.69 0.07 0.96 -0.55 0.00 0.00 175.29 175.65 1xyo s ILE 173 N 2.53 0.87 -0.28 -2.34 -4.36 -0.02 -0.82 121.20 116.77 1xyo s ILE 173 Ca 0.12 -2.00 -0.09 0.00 -0.26 0.00 0.00 60.65 58.41 1xyo s ILE 173 Cb -0.15 -2.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.88 1xyo s ILE 173 CO -0.17 -0.05 0.14 -0.69 0.24 0.00 0.00 174.94 174.40 1xyo s VAL 174 N -3.53 4.73 0.15 8.37 1.01 -0.04 -0.19 120.40 130.89 1xyo s VAL 174 Ca 0.36 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.26 1xyo s VAL 174 Cb 0.08 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.12 1xyo s VAL 174 CO 0.14 0.21 -0.19 0.00 0.00 0.00 0.00 175.10 175.26 1xyo s ALA 175 N 1.66 1.96 -0.15 5.51 0.00 0.11 -2.42 121.76 128.42 1xyo s ALA 175 Ca 0.06 -1.44 -0.01 0.00 0.00 0.00 0.00 51.96 50.57 1xyo s ALA 175 Cb -0.16 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 1xyo s ALA 175 CO 0.07 0.26 -0.11 0.08 0.00 0.00 0.00 175.76 176.06 1xyo s VAL 176 N -1.85 3.09 0.05 0.00 1.01 -0.15 -1.14 120.40 121.41 1xyo s VAL 176 Ca 0.14 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.56 1xyo s VAL 176 Cb -0.07 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1xyo s VAL 176 CO 0.06 0.50 -0.21 -0.70 0.00 0.00 0.00 175.10 174.75 1xyo s GLU 177 N 0.61 1.93 0.03 2.72 -6.30 -0.27 -1.53 118.70 115.90 1xyo s GLU 177 Ca -0.07 -1.06 0.04 0.00 -2.50 0.00 0.00 54.97 51.39 1xyo s GLU 177 Cb -0.15 -2.10 -0.02 0.00 0.00 0.00 0.00 34.13 31.86 1xyo s GLU 177 CO 0.03 0.52 -0.11 0.20 0.02 0.00 0.00 175.26 175.92 1xyo s GLY 178 N -1.45 0.66 -0.34 -1.50 0.00 -0.76 -1.74 107.32 102.18 1xyo s GLY 178 Ca 0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 44.12 1xyo s GLY 178 CO 0.05 -0.72 0.16 -0.47 0.00 0.00 0.00 173.10 172.11 1xyo s TYR 179 N -0.87 1.32 -1.23 1.90 5.04 -0.45 -1.96 117.35 121.10 1xyo s TYR 179 Ca -0.01 -1.71 -0.19 0.00 -2.44 0.00 0.00 57.07 52.72 1xyo s TYR 179 Cb -0.08 -1.45 0.00 0.00 0.35 0.00 0.00 41.96 40.79 1xyo s TYR 179 CO 0.01 -0.84 0.66 1.19 -1.34 0.00 0.00 175.55 175.23 1xyo n PHE 180 N 4.48 -1.72 -2.70 4.97 3.01 0.34 -4.50 117.46 121.33 1xyo n PHE 180 Ca 0.02 0.44 0.00 0.00 1.01 0.00 0.00 57.45 58.92 1xyo n PHE 180 Cb 0.39 -3.35 0.00 0.00 -0.01 0.00 0.00 39.48 36.52 1xyo n PHE 180 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1xyo n SER 181 N -2.64 0.00 -4.17 4.37 3.41 -1.26 -4.80 113.62 108.53 1xyo n SER 181 Ca -0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.35 1xyo n SER 181 Cb 0.61 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1xyo n SER 181 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1xyo s SER 182 N 1.21 0.52 0.00 4.04 0.01 -1.07 -1.03 113.70 117.36 1xyo s SER 182 Ca 0.00 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.06 1xyo s SER 182 Cb 0.00 0.25 0.00 0.00 0.21 0.00 0.00 66.02 66.48 1xyo s SER 182 CO 0.00 -0.69 0.00 0.61 0.41 0.00 0.00 173.24 173.57 1xyo n GLY 183 N -0.12 -1.57 3.37 3.44 0.00 0.04 0.06 105.19 110.40 1xyo n GLY 183 Ca -0.06 -1.40 -0.14 0.00 0.00 0.00 0.00 46.02 44.42 1xyo n GLY 183 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyo s SER 184 N -2.04 -0.39 -0.08 1.61 1.04 -0.66 -1.14 113.70 112.03 1xyo s SER 184 Ca 0.00 0.25 -0.25 0.00 0.48 0.00 0.00 55.95 56.43 1xyo s SER 184 Cb 0.00 0.44 0.06 0.00 0.10 0.00 0.00 66.02 66.62 1xyo s SER 184 CO 0.00 -0.61 0.57 0.00 0.98 0.00 0.00 173.24 174.19 1xyo s ALA 185 N -1.83 -1.47 -0.23 5.32 0.00 -0.12 -0.47 121.76 122.96 1xyo s ALA 185 Ca -0.09 1.18 -0.04 0.00 0.00 0.00 0.00 51.96 53.01 1xyo s ALA 185 Cb -0.02 -0.22 0.09 0.00 0.00 0.00 0.00 23.12 22.97 1xyo s ALA 185 CO 0.03 -0.32 0.16 0.45 0.00 0.00 0.00 175.76 176.08 1xyo s SER 186 N -0.86 2.29 -0.00 0.00 0.15 0.52 -1.37 113.70 114.43 1xyo s SER 186 Ca -0.09 -0.70 0.08 0.00 0.70 0.00 0.00 55.95 55.94 1xyo s SER 186 Cb -0.02 0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1xyo s SER 186 CO 0.06 -0.37 -0.25 -0.63 1.20 0.00 0.00 173.24 173.25 1xyo s ILE 187 N 2.21 1.98 -0.16 6.45 -1.09 -0.35 -0.52 121.20 129.72 1xyo s ILE 187 Ca 0.06 -1.13 0.02 0.00 -2.23 0.00 0.00 60.65 57.36 1xyo s ILE 187 Cb -0.16 -1.66 0.02 0.00 -1.58 0.00 0.00 42.46 39.08 1xyo s ILE 187 CO -0.20 0.50 -0.21 -0.89 -1.23 0.00 0.00 174.94 172.92 1xyo s THR 188 N -0.64 2.03 0.00 2.92 2.01 0.78 -1.31 115.64 121.44 1xyo s THR 188 Ca 0.10 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.14 1xyo s THR 188 Cb -0.10 -1.82 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 1xyo s THR 188 CO -0.00 0.54 0.16 -0.69 -0.69 0.00 0.00 174.62 173.94 1xyo s VAL 189 N 1.09 5.24 0.00 3.82 1.01 -0.38 -1.60 120.40 129.59 1xyo s VAL 189 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.71 1xyo s VAL 189 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.78 1xyo s VAL 189 CO -0.08 0.30 0.00 -1.54 0.00 0.00 0.00 175.10 173.78