#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a81 n ALA 10 N 0.00 1.62 -0.19 -1.46 0.00 -1.26 -4.22 120.51 115.00 1a81 n ALA 10 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1a81 n ALA 10 Cb 0.00 -1.00 0.22 0.00 0.00 0.00 0.00 19.45 18.67 1a81 n ALA 10 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1a81 h ASN 11 N 1.66 0.84 0.66 0.00 -0.26 -2.03 -3.14 115.58 113.31 1a81 h ASN 11 Ca 0.00 -0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 1a81 h ASN 11 Cb 0.14 -0.21 0.00 0.00 -1.06 0.00 0.00 38.32 37.19 1a81 h ASN 11 CO 0.00 0.69 -0.34 1.12 -1.06 0.00 0.00 177.43 177.84 1a81 h HIS 12 N 0.94 -0.89 0.00 1.19 2.07 -1.97 -3.43 115.15 113.07 1a81 h HIS 12 Ca 0.24 -0.02 -0.26 0.00 -2.85 0.00 0.00 60.37 57.48 1a81 h HIS 12 Cb 0.05 0.30 -0.04 0.00 2.57 0.00 0.00 27.41 30.28 1a81 h HIS 12 CO 0.01 -0.54 0.88 1.28 -3.07 0.00 0.00 177.93 176.50 1a81 n LEU 13 N -4.53 0.15 0.00 6.12 4.77 -1.19 -4.67 117.00 117.64 1a81 n LEU 13 Ca -0.11 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1a81 n LEU 13 Cb 0.37 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1a81 n LEU 13 CO 0.27 -0.36 0.43 -0.81 -1.33 0.00 0.00 177.39 175.59 1a81 n PRO 14 N 4.29 0.00 -0.38 3.23 -0.04 -1.26 0.02 135.00 140.85 1a81 n PRO 14 Ca 0.33 0.24 0.07 0.00 -0.04 0.00 0.00 63.50 64.11 1a81 n PRO 14 Cb 0.01 -1.66 0.14 0.00 -0.04 0.00 0.00 33.50 31.95 1a81 n PRO 14 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1a81 n PHE 15 N -1.20 0.00 -3.72 0.54 -1.74 -1.26 0.29 117.46 110.37 1a81 n PHE 15 Ca 0.00 -1.05 -0.37 0.00 -0.56 0.00 0.00 57.45 55.47 1a81 n PHE 15 Cb 0.16 -0.17 -0.12 0.00 1.52 0.00 0.00 39.48 40.87 1a81 n PHE 15 CO 0.00 0.00 0.00 0.12 -0.56 0.00 0.00 176.76 176.32 1a81 s PHE 16 N -2.55 3.12 -0.95 2.97 5.36 0.10 -0.85 117.98 125.19 1a81 s PHE 16 Ca 0.31 -0.47 -0.02 0.00 -0.96 0.00 0.00 56.93 55.79 1a81 s PHE 16 Cb 0.29 -2.28 0.27 0.00 -0.34 0.00 0.00 43.02 40.96 1a81 s PHE 16 CO -0.02 -0.39 1.10 1.19 -1.46 0.00 0.00 175.22 175.64 1a81 n PHE 17 N 4.94 3.47 0.00 10.12 3.72 0.63 -4.53 117.46 135.81 1a81 n PHE 17 Ca -0.15 -3.49 0.00 0.00 -0.05 0.00 0.00 57.45 53.76 1a81 n PHE 17 Cb 0.51 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 1a81 n PHE 17 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1a81 n GLY 18 N 1.65 0.00 3.48 1.37 0.00 -1.25 -3.66 105.19 106.79 1a81 n GLY 18 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 1a81 n GLY 18 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1a81 s ASN 19 N 0.00 6.18 0.17 1.61 3.84 0.70 -1.53 114.94 125.92 1a81 s ASN 19 Ca 0.00 -0.79 0.11 0.00 0.21 0.00 0.00 52.86 52.38 1a81 s ASN 19 Cb 0.00 -2.46 -0.04 0.00 -0.55 0.00 0.00 41.25 38.20 1a81 s ASN 19 CO 0.00 -1.53 -0.24 -0.63 -2.79 0.00 0.00 177.10 171.92 1a81 s ILE 20 N 4.50 2.20 0.66 -5.21 1.09 -1.24 -4.48 121.20 118.71 1a81 s ILE 20 Ca 0.26 -1.92 -0.11 0.00 -1.10 0.00 0.00 60.65 57.79 1a81 s ILE 20 Cb -0.14 -2.01 -0.01 0.00 -1.06 0.00 0.00 42.46 39.24 1a81 s ILE 20 CO 0.12 -0.10 1.05 0.28 -0.10 0.00 0.00 174.94 176.19 1a81 s THR 21 N -1.56 4.31 0.13 2.92 -1.32 -1.26 -4.88 115.64 113.98 1a81 s THR 21 Ca 0.17 0.75 -0.24 0.00 -1.21 0.00 0.00 61.69 61.16 1a81 s THR 21 Cb -0.08 -3.62 -0.03 0.00 -1.51 0.00 0.00 72.50 67.26 1a81 s THR 21 CO 0.08 -0.98 1.64 -0.09 -2.21 0.00 0.00 174.62 173.06 1a81 h ARG 22 N -0.53 -0.30 -0.09 7.08 2.43 -1.99 -2.28 114.38 118.69 1a81 h ARG 22 Ca -0.44 0.02 0.03 0.00 -0.81 0.00 0.00 59.98 58.78 1a81 h ARG 22 Cb 1.20 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.78 1a81 h ARG 22 CO 0.60 -0.20 -0.13 0.93 -1.51 0.00 0.00 179.97 179.66 1a81 h GLU 23 N -0.31 -0.16 -1.08 0.20 3.07 -1.99 0.18 114.58 114.49 1a81 h GLU 23 Ca 0.09 0.01 0.29 0.00 -0.50 0.00 0.00 59.36 59.25 1a81 h GLU 23 Cb 0.44 0.04 -0.08 0.00 -0.84 0.00 0.00 28.75 28.30 1a81 h GLU 23 CO -0.27 -0.11 0.72 0.93 -1.40 0.00 0.00 179.01 178.88 1a81 h GLU 24 N -0.17 0.26 0.59 2.33 5.08 -1.83 0.22 114.58 121.05 1a81 h GLU 24 Ca 0.07 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1a81 h GLU 24 Cb 0.28 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1a81 h GLU 24 CO -0.19 0.17 -0.28 0.00 -1.00 0.00 0.00 179.01 177.71 1a81 h ALA 25 N 1.56 -0.84 -1.28 3.43 0.00 -0.55 -2.45 119.26 119.13 1a81 h ALA 25 Ca 0.59 -0.17 0.41 0.00 0.00 0.00 0.00 54.91 55.73 1a81 h ALA 25 Cb 1.74 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 19.72 1a81 h ALA 25 CO -0.21 -0.78 0.83 0.93 0.00 0.00 0.00 179.25 180.01 1a81 h GLU 26 N -1.13 0.13 0.81 0.00 5.08 0.99 0.31 114.58 120.77 1a81 h GLU 26 Ca -0.08 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1a81 h GLU 26 Cb 0.61 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.83 1a81 h GLU 26 CO 0.13 0.09 -0.39 -0.44 -1.00 0.00 0.00 179.01 177.40 1a81 h ASP 27 N 0.13 -0.92 -0.95 1.42 3.32 -0.40 -3.10 116.42 115.92 1a81 h ASP 27 Ca 0.78 0.03 0.22 0.00 0.02 0.00 0.00 57.03 58.09 1a81 h ASP 27 Cb 2.41 0.24 -0.07 0.00 0.22 0.00 0.00 39.33 42.12 1a81 h ASP 27 CO -0.39 -0.61 0.63 1.88 -1.72 0.00 0.00 179.24 179.03 1a81 h TYR 28 N -1.19 0.54 -0.81 4.55 0.05 0.06 0.34 116.97 120.51 1a81 h TYR 28 Ca -0.11 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.66 1a81 h TYR 28 Cb 0.83 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1a81 h TYR 28 CO 0.02 0.12 0.42 -0.07 -1.05 0.00 0.00 178.16 177.60 1a81 h LEU 29 N 0.38 1.04 0.12 3.88 3.38 -1.29 2.17 115.31 125.00 1a81 h LEU 29 Ca 0.50 -0.12 -0.21 0.00 0.09 0.00 0.00 57.88 58.15 1a81 h LEU 29 Cb 1.30 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.79 1a81 h LEU 29 CO -0.20 0.86 -0.98 -0.37 0.09 0.00 0.00 178.44 177.84 1a81 h VAL 30 N 1.14 1.35 0.00 1.22 -1.51 -1.12 0.43 116.25 117.76 1a81 h VAL 30 Ca 0.28 -2.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.28 1a81 h VAL 30 Cb 0.07 3.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.26 1a81 h VAL 30 CO -0.04 0.69 0.11 0.00 -1.23 0.00 0.00 177.57 177.10 1a81 n GLN 31 N -4.10 0.07 0.03 5.19 -0.00 -0.04 0.36 117.38 118.90 1a81 n GLN 31 Ca -0.18 0.53 0.11 0.00 -0.00 0.00 0.00 57.00 57.46 1a81 n GLN 31 Cb 0.82 -1.83 -0.06 0.00 -0.00 0.00 0.00 30.24 29.17 1a81 n GLN 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1a81 n GLY 32 N -1.34 -1.18 0.00 2.61 0.00 0.73 -4.99 105.19 101.02 1a81 n GLY 32 Ca -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1a81 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 33 N 1.29 4.01 2.14 -0.02 0.00 1.15 -4.81 105.19 108.95 1a81 n GLY 33 Ca -0.01 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.20 1a81 n GLY 33 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1a81 n MET 34 N 0.00 -0.35 -1.94 1.61 1.56 0.13 -4.79 117.12 113.33 1a81 n MET 34 Ca 0.00 0.63 -0.42 0.00 -0.27 0.00 0.00 57.70 57.64 1a81 n MET 34 Cb 0.00 -4.35 -0.03 0.00 2.15 0.00 0.00 33.22 30.99 1a81 n MET 34 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1a81 s SER 35 N -2.93 6.59 0.13 6.12 1.04 -1.26 -4.35 113.70 119.04 1a81 s SER 35 Ca 0.00 2.62 -0.35 0.00 0.48 0.00 0.00 55.95 58.70 1a81 s SER 35 Cb 0.00 -2.60 -0.15 0.00 0.10 0.00 0.00 66.02 63.37 1a81 s SER 35 CO 0.00 -0.82 1.41 0.47 0.98 0.00 0.00 173.24 175.28 1a81 n ASP 36 N 3.86 2.17 0.00 7.02 9.92 -1.26 -0.99 116.55 137.28 1a81 n ASP 36 Ca 0.13 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.50 1a81 n ASP 36 Cb 0.39 -1.29 0.00 0.00 -0.64 0.00 0.00 41.12 39.58 1a81 n ASP 36 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1a81 n GLY 37 N 2.76 0.51 3.74 0.44 0.00 -0.36 -4.80 105.19 107.47 1a81 n GLY 37 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1a81 n GLY 37 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1a81 s LEU 38 N 0.00 4.49 0.10 0.99 0.20 -0.16 -1.32 118.68 122.99 1a81 s LEU 38 Ca 0.00 1.69 -0.09 0.00 0.69 0.00 0.00 54.13 56.42 1a81 s LEU 38 Cb 0.00 -3.47 -0.00 0.00 -0.43 0.00 0.00 46.19 42.29 1a81 s LEU 38 CO 0.00 -0.02 0.21 -0.72 -0.29 0.00 0.00 176.35 175.53 1a81 s TYR 39 N -0.12 0.19 0.07 5.38 1.13 0.50 0.08 117.35 124.58 1a81 s TYR 39 Ca 0.44 -0.60 -0.08 0.00 -1.41 0.00 0.00 57.07 55.42 1a81 s TYR 39 Cb -0.23 -0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.58 1a81 s TYR 39 CO 0.28 -0.58 0.16 -0.48 -2.51 0.00 0.00 175.55 172.42 1a81 s LEU 40 N -2.88 1.55 -0.12 -3.49 0.05 0.18 0.02 118.68 113.99 1a81 s LEU 40 Ca 0.07 -0.63 0.02 0.00 0.05 0.00 0.00 54.13 53.64 1a81 s LEU 40 Cb 0.04 0.91 0.01 0.00 -2.05 0.00 0.00 46.19 45.10 1a81 s LEU 40 CO -0.09 -0.67 -0.17 -0.22 -0.55 0.00 0.00 176.35 174.65 1a81 s LEU 41 N -2.68 1.83 0.29 1.48 1.98 -0.03 -1.21 118.68 120.34 1a81 s LEU 41 Ca 0.03 -0.49 0.04 0.00 -2.89 0.00 0.00 54.13 50.82 1a81 s LEU 41 Cb 0.04 -1.20 -0.06 0.00 0.66 0.00 0.00 46.19 45.63 1a81 s LEU 41 CO -0.09 0.03 0.04 0.00 -1.89 0.00 0.00 176.35 174.44 1a81 s ARG 42 N 0.99 1.55 0.34 1.98 1.70 -0.68 -0.27 118.95 124.56 1a81 s ARG 42 Ca -0.05 -1.84 -0.26 0.00 -0.47 0.00 0.00 55.73 53.11 1a81 s ARG 42 Cb -0.15 -0.76 -0.09 0.00 -0.57 0.00 0.00 34.95 33.38 1a81 s ARG 42 CO -0.03 -0.17 1.02 -1.14 -1.08 0.00 0.00 175.30 173.91 1a81 s GLN 43 N -3.89 4.44 0.45 3.89 0.74 -0.58 -0.16 119.66 124.54 1a81 s GLN 43 Ca 0.35 1.51 -0.21 0.00 0.05 0.00 0.00 55.36 57.06 1a81 s GLN 43 Cb 0.08 -2.80 -0.10 0.00 1.10 0.00 0.00 33.01 31.28 1a81 s GLN 43 CO 0.14 0.11 0.99 0.45 -0.55 0.00 0.00 175.29 176.42 1a81 s SER 44 N -1.42 6.72 0.00 6.67 0.15 -0.99 -4.58 113.70 120.25 1a81 s SER 44 Ca 0.52 1.80 0.12 0.00 0.70 0.00 0.00 55.95 59.09 1a81 s SER 44 Cb -0.23 -2.55 0.13 0.00 -1.71 0.00 0.00 66.02 61.66 1a81 s SER 44 CO 0.29 -0.52 0.95 0.54 1.20 0.00 0.00 173.24 175.70 1a81 n ARG 45 N -0.70 1.03 -0.10 5.44 1.74 -1.26 -4.57 116.66 118.24 1a81 n ARG 45 Ca 0.08 -1.36 0.00 0.00 -0.77 0.00 0.00 57.85 55.79 1a81 n ARG 45 Cb 0.53 -1.24 0.00 0.00 -1.02 0.00 0.00 32.46 30.73 1a81 n ARG 45 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1a81 n ASN 46 N 0.68 0.00 -3.77 0.55 6.94 -1.26 -4.83 115.26 113.56 1a81 n ASN 46 Ca 0.08 -1.18 -0.23 0.00 -0.02 0.00 0.00 54.58 53.24 1a81 n ASN 46 Cb 0.33 -0.04 -0.17 0.00 -2.36 0.00 0.00 39.78 37.54 1a81 n ASN 46 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1a81 s TYR 47 N 0.00 0.66 0.55 -2.53 1.51 -1.26 -2.74 117.35 113.53 1a81 s TYR 47 Ca 0.00 -0.16 -0.20 0.00 -1.01 0.00 0.00 57.07 55.70 1a81 s TYR 47 Cb 0.00 -0.79 -0.08 0.00 -0.11 0.00 0.00 41.96 40.98 1a81 s TYR 47 CO 0.00 -0.32 0.77 1.28 -1.11 0.00 0.00 175.55 176.17 1a81 n LEU 48 N 5.10 2.14 -0.39 -1.29 7.99 -1.26 -2.57 117.00 126.72 1a81 n LEU 48 Ca -0.08 0.82 0.00 0.00 -0.01 0.00 0.00 56.01 56.75 1a81 n LEU 48 Cb 0.50 -1.28 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 1a81 n LEU 48 CO 0.11 -2.32 0.00 0.61 -1.51 0.00 0.00 177.39 174.28 1a81 n GLY 49 N 1.49 0.00 3.39 -0.72 0.00 -1.26 -4.61 105.19 103.48 1a81 n GLY 49 Ca 0.12 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1a81 n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a81 n GLY 50 N 0.00 1.69 3.31 -0.02 0.00 -1.06 -4.58 105.19 104.53 1a81 n GLY 50 Ca 0.00 -2.17 -0.20 0.00 0.00 0.00 0.00 46.02 43.64 1a81 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1a81 s PHE 51 N -2.23 1.75 0.00 1.61 0.40 0.58 -2.33 117.98 117.76 1a81 s PHE 51 Ca 0.54 -1.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.26 1a81 s PHE 51 Cb -0.04 -0.77 -0.00 0.00 0.51 0.00 0.00 43.02 42.71 1a81 s PHE 51 CO 0.35 -0.80 -0.02 0.00 0.70 0.00 0.00 175.22 175.45 1a81 s ALA 52 N -3.42 0.13 -0.22 5.36 0.00 0.77 -0.34 121.76 124.03 1a81 s ALA 52 Ca 0.38 -0.12 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1a81 s ALA 52 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1a81 s ALA 52 CO 0.26 0.01 0.03 -1.17 0.00 0.00 0.00 175.76 174.89 1a81 s LEU 53 N -0.20 3.33 -0.15 0.00 1.98 0.29 -1.69 118.68 122.24 1a81 s LEU 53 Ca -0.01 -0.20 0.00 0.00 -2.89 0.00 0.00 54.13 51.03 1a81 s LEU 53 Cb -0.02 -1.87 -0.00 0.00 0.66 0.00 0.00 46.19 44.97 1a81 s LEU 53 CO -0.00 0.02 -0.16 -0.44 -1.89 0.00 0.00 176.35 173.88 1a81 s SER 54 N 1.25 3.63 -0.01 3.68 0.01 -0.35 0.46 113.70 122.36 1a81 s SER 54 Ca 0.04 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.83 1a81 s SER 54 Cb -0.15 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.55 1a81 s SER 54 CO 0.02 0.09 0.01 0.68 0.41 0.00 0.00 173.24 174.45 1a81 s VAL 55 N 0.79 0.03 0.01 3.43 -7.23 -0.70 0.49 120.40 117.22 1a81 s VAL 55 Ca -0.06 0.10 -0.25 0.00 -1.81 0.00 0.00 61.98 59.96 1a81 s VAL 55 Cb -0.15 -0.11 -0.05 0.00 0.56 0.00 0.00 36.38 36.63 1a81 s VAL 55 CO 0.00 0.07 0.76 0.00 -0.31 0.00 0.00 175.10 175.63 1a81 s ALA 56 N 0.66 3.34 -0.27 1.32 0.00 0.11 -0.97 121.76 125.95 1a81 s ALA 56 Ca -0.06 0.26 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 1a81 s ALA 56 Cb -0.08 -3.01 0.15 0.00 0.00 0.00 0.00 23.12 20.17 1a81 s ALA 56 CO -0.02 -0.01 0.52 -1.58 0.00 0.00 0.00 175.76 174.67 1a81 s HIS 57 N 0.28 -1.22 -0.26 0.00 5.04 0.27 -1.23 115.29 118.17 1a81 s HIS 57 Ca 0.39 1.55 -0.01 0.00 -1.54 0.00 0.00 55.06 55.46 1a81 s HIS 57 Cb -0.20 0.42 0.00 0.00 0.04 0.00 0.00 32.58 32.84 1a81 s HIS 57 CO 0.22 -0.74 0.22 0.41 -2.34 0.00 0.00 174.74 172.51 1a81 n GLY 58 N 5.41 0.38 3.31 1.59 0.00 -1.26 -2.79 105.19 111.82 1a81 n GLY 58 Ca -0.05 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1a81 n GLY 58 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1a81 n ARG 59 N -1.60 -0.21 -4.09 1.61 1.85 -1.26 -4.88 116.66 108.08 1a81 n ARG 59 Ca -0.04 0.04 -0.22 0.00 -1.00 0.00 0.00 57.85 56.62 1a81 n ARG 59 Cb 0.53 -3.51 -0.05 0.00 -1.05 0.00 0.00 32.46 28.38 1a81 n ARG 59 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1a81 s LYS 60 N -0.76 2.68 0.10 2.89 1.02 -1.12 -5.12 119.74 119.43 1a81 s LYS 60 Ca 0.00 -1.24 0.08 0.00 0.02 0.00 0.00 55.97 54.83 1a81 s LYS 60 Cb 0.00 -2.41 -0.04 0.00 -0.52 0.00 0.00 37.83 34.86 1a81 s LYS 60 CO 0.00 0.30 -0.13 0.00 -0.92 0.00 0.00 175.35 174.60 1a81 s ALA 61 N -2.24 2.85 -0.06 5.17 0.00 -1.26 0.94 121.76 127.16 1a81 s ALA 61 Ca 0.35 -1.27 0.03 0.00 0.00 0.00 0.00 51.96 51.07 1a81 s ALA 61 Cb -0.06 -0.81 0.01 0.00 0.00 0.00 0.00 23.12 22.25 1a81 s ALA 61 CO 0.24 0.62 -0.14 -1.01 0.00 0.00 0.00 175.76 175.47 1a81 s HIS 62 N -1.17 1.52 -0.18 0.00 0.09 -0.14 -4.93 115.29 110.47 1a81 s HIS 62 Ca 0.20 -0.51 -0.03 0.00 -0.00 0.00 0.00 55.06 54.72 1a81 s HIS 62 Cb -0.11 -1.07 -0.02 0.00 -0.00 0.00 0.00 32.58 31.38 1a81 s HIS 62 CO 0.12 -0.23 -0.06 -1.01 -0.00 0.00 0.00 174.74 173.56 1a81 s HIS 63 N 0.40 2.94 -0.09 1.40 3.76 -1.26 -1.73 115.29 120.72 1a81 s HIS 63 Ca -0.10 -0.67 0.03 0.00 -0.15 0.00 0.00 55.06 54.18 1a81 s HIS 63 Cb -0.14 -2.00 -0.01 0.00 1.11 0.00 0.00 32.58 31.54 1a81 s HIS 63 CO 0.03 -0.31 -0.20 0.71 -0.85 0.00 0.00 174.74 174.12 1a81 s TYR 64 N 0.88 2.61 -0.24 1.40 2.02 0.17 -4.94 117.35 119.26 1a81 s TYR 64 Ca -0.01 -0.67 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 1a81 s TYR 64 Cb -0.15 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1a81 s TYR 64 CO 0.01 -0.19 0.08 -0.08 -1.57 0.00 0.00 175.55 173.80 1a81 s THR 65 N -0.01 4.44 -0.37 -0.71 -1.32 -1.26 0.11 115.64 116.52 1a81 s THR 65 Ca -0.06 -0.13 -0.21 0.00 -1.21 0.00 0.00 61.69 60.08 1a81 s THR 65 Cb -0.15 -3.07 0.01 0.00 -1.51 0.00 0.00 72.50 67.78 1a81 s THR 65 CO 0.05 0.35 0.65 -0.63 -2.21 0.00 0.00 174.62 172.83 1a81 s ILE 66 N 1.49 4.86 0.47 5.08 1.01 0.54 -4.19 121.20 130.46 1a81 s ILE 66 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1a81 s ILE 66 Cb -0.15 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1a81 s ILE 66 CO 0.04 -0.37 0.69 -1.61 0.00 0.00 0.00 174.94 173.70 1a81 s GLU 67 N 2.77 2.96 -0.35 2.79 2.02 -1.14 -0.31 118.70 127.45 1a81 s GLU 67 Ca 0.25 -0.54 -0.08 0.00 0.02 0.00 0.00 54.97 54.63 1a81 s GLU 67 Cb -0.14 -2.54 0.04 0.00 0.10 0.00 0.00 34.13 31.59 1a81 s GLU 67 CO 0.16 -0.36 0.13 -0.98 0.02 0.00 0.00 175.26 174.23 1a81 s ARG 68 N -4.60 2.67 0.77 1.61 1.04 -1.26 -2.03 118.95 117.14 1a81 s ARG 68 Ca 0.50 -1.16 -0.15 0.00 -1.04 0.00 0.00 55.73 53.88 1a81 s ARG 68 Cb -0.10 -3.53 0.02 0.00 -2.04 0.00 0.00 34.95 29.30 1a81 s ARG 68 CO 0.38 -0.68 0.85 0.39 -0.04 0.00 0.00 175.30 176.20 1a81 n GLU 69 N 4.86 0.28 -0.31 3.89 -0.58 0.31 -4.87 120.64 124.21 1a81 n GLU 69 Ca -0.12 0.15 0.08 0.00 -0.42 0.00 0.00 57.16 56.85 1a81 n GLU 69 Cb 0.45 -2.13 0.29 0.00 -0.57 0.00 0.00 31.44 29.48 1a81 n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1a81 h LEU 70 N -0.60 0.83 -0.16 -4.62 4.07 -1.98 -0.83 115.31 112.02 1a81 h LEU 70 Ca -0.46 0.03 0.00 0.00 0.08 0.00 0.00 57.88 57.53 1a81 h LEU 70 Cb 1.32 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.93 1a81 h LEU 70 CO 0.44 0.46 0.00 -0.46 -1.08 0.00 0.00 178.44 177.80 1a81 n ASN 71 N -4.56 0.08 0.00 -0.43 6.94 -1.26 -4.79 115.26 111.24 1a81 n ASN 71 Ca 0.17 0.53 0.00 0.00 -0.02 0.00 0.00 54.58 55.26 1a81 n ASN 71 Cb 0.35 -0.54 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 1a81 n ASN 71 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1a81 n GLY 72 N -0.90 0.69 3.90 4.83 0.00 -0.32 -5.08 105.19 108.31 1a81 n GLY 72 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 1a81 n GLY 72 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1a81 s THR 73 N -2.00 4.92 0.32 2.61 -4.23 -1.23 -4.86 115.64 111.17 1a81 s THR 73 Ca 0.00 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.51 1a81 s THR 73 Cb 0.00 -3.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.18 1a81 s THR 73 CO 0.00 -0.27 0.23 -0.31 -0.54 0.00 0.00 174.62 173.74 1a81 s TYR 74 N -1.96 2.88 -0.29 3.99 1.51 -0.65 0.11 117.35 122.94 1a81 s TYR 74 Ca 0.33 -0.29 -0.16 0.00 -1.01 0.00 0.00 57.07 55.94 1a81 s TYR 74 Cb -0.09 -1.68 0.18 0.00 -0.11 0.00 0.00 41.96 40.25 1a81 s TYR 74 CO 0.27 0.29 1.11 0.00 -1.11 0.00 0.00 175.55 176.10 1a81 s ALA 75 N -2.31 -2.49 0.64 3.71 0.00 -0.86 -0.99 121.76 119.46 1a81 s ALA 75 Ca 0.39 2.09 -0.18 0.00 0.00 0.00 0.00 51.96 54.26 1a81 s ALA 75 Cb -0.05 -1.86 -0.01 0.00 0.00 0.00 0.00 23.12 21.20 1a81 s ALA 75 CO 0.25 -0.37 1.23 0.42 0.00 0.00 0.00 175.76 177.29 1a81 s ILE 76 N 1.27 2.41 0.33 0.00 1.09 -1.26 -2.90 121.20 122.14 1a81 s ILE 76 Ca -0.08 0.24 -0.29 0.00 -1.10 0.00 0.00 60.65 59.42 1a81 s ILE 76 Cb -0.03 -3.01 -0.11 0.00 -1.06 0.00 0.00 42.46 38.25 1a81 s ILE 76 CO -0.13 -0.07 1.48 0.00 -0.10 0.00 0.00 174.94 176.12 1a81 s ALA 77 N -1.66 3.61 0.00 9.38 0.00 -1.26 -1.09 121.76 130.75 1a81 s ALA 77 Ca 0.78 1.49 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1a81 s ALA 77 Cb -0.32 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.21 1a81 s ALA 77 CO 0.38 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1a81 n GLY 78 N 1.19 2.37 4.01 0.00 0.00 -1.26 -5.02 105.19 106.48 1a81 n GLY 78 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1a81 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a81 s GLY 79 N -1.99 1.75 0.90 -0.02 0.00 -0.25 -5.07 107.32 102.65 1a81 s GLY 79 Ca 0.00 -1.90 -0.11 0.00 0.00 0.00 0.00 44.72 42.71 1a81 s GLY 79 CO 0.00 -1.37 1.09 -1.60 0.00 0.00 0.00 173.10 171.22 1a81 s ARG 80 N -4.95 1.21 -0.22 2.90 3.52 -1.26 -4.77 118.95 115.37 1a81 s ARG 80 Ca 0.65 1.01 -0.08 0.00 -0.13 0.00 0.00 55.73 57.18 1a81 s ARG 80 Cb -0.05 -1.79 -0.04 0.00 -1.56 0.00 0.00 34.95 31.51 1a81 s ARG 80 CO 0.42 -2.33 0.08 0.95 -0.81 0.00 0.00 175.30 173.61 1a81 s THR 81 N -2.84 4.69 0.08 4.11 -4.23 -1.26 -4.44 115.64 111.75 1a81 s THR 81 Ca 0.64 -0.06 -0.00 0.00 -1.18 0.00 0.00 61.69 61.09 1a81 s THR 81 Cb -0.19 -3.15 -0.04 0.00 1.34 0.00 0.00 72.50 70.45 1a81 s THR 81 CO 0.58 0.39 0.23 -1.00 -0.54 0.00 0.00 174.62 174.28 1a81 s HIS 82 N 0.96 3.51 -2.19 3.99 0.09 -0.17 -4.93 115.29 116.55 1a81 s HIS 82 Ca 0.04 0.26 0.20 0.00 -0.00 0.00 0.00 55.06 55.56 1a81 s HIS 82 Cb -0.14 -1.77 0.88 0.00 -0.00 0.00 0.00 32.58 31.55 1a81 s HIS 82 CO 0.03 0.57 1.61 0.00 -0.00 0.00 0.00 174.74 176.94 1a81 n ALA 83 N 0.17 2.55 -3.62 -1.40 0.00 -1.26 -1.64 120.51 115.30 1a81 n ALA 83 Ca -0.05 -0.39 -0.08 0.00 0.00 0.00 0.00 53.44 52.92 1a81 n ALA 83 Cb 0.51 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.74 1a81 n ALA 83 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1a81 s SER 84 N -1.58 -0.30 0.62 0.00 1.04 -1.26 -4.75 113.70 107.46 1a81 s SER 84 Ca 0.31 0.49 0.38 0.00 0.48 0.00 0.00 55.95 57.61 1a81 s SER 84 Cb 0.16 0.46 2.08 0.00 0.10 0.00 0.00 66.02 68.82 1a81 s SER 84 CO 0.25 -0.17 2.17 1.55 0.98 0.00 0.00 173.24 178.02 1a81 h PRO 85 N 3.26 0.00 0.77 4.02 0.13 -1.95 0.13 132.00 138.37 1a81 h PRO 85 Ca -0.23 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 1a81 h PRO 85 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1a81 h PRO 85 CO 0.19 0.00 -0.39 0.00 -0.23 0.00 0.00 178.00 177.57 1a81 h ALA 86 N 1.84 -1.07 -0.41 -0.56 0.00 -1.98 -2.02 119.26 115.05 1a81 h ALA 86 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1a81 h ALA 86 Cb 0.16 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1a81 h ALA 86 CO 0.00 -1.10 0.00 -0.25 0.00 0.00 0.00 179.25 177.90 1a81 n ASP 87 N -5.55 0.00 -0.06 0.00 9.92 0.32 -1.27 116.55 119.90 1a81 n ASP 87 Ca -0.15 0.93 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1a81 n ASP 87 Cb 0.43 -0.43 0.01 0.00 -0.64 0.00 0.00 41.12 40.49 1a81 n ASP 87 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1a81 n LEU 88 N -2.17 -0.09 0.13 0.64 7.94 -0.42 0.31 117.00 123.35 1a81 n LEU 88 Ca 0.00 0.29 -0.13 0.00 -1.11 0.00 0.00 56.01 55.06 1a81 n LEU 88 Cb 0.00 -0.07 -0.08 0.00 0.53 0.00 0.00 43.42 43.80 1a81 n LEU 88 CO 0.00 -0.26 0.57 0.00 -1.11 0.00 0.00 177.39 176.59 1a81 h HIS 90 N -0.69 -1.34 -0.05 0.00 3.86 0.12 0.13 115.15 117.19 1a81 h HIS 90 Ca -0.03 0.07 0.03 0.00 -1.16 0.00 0.00 60.37 59.27 1a81 h HIS 90 Cb 0.48 0.63 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 1a81 h HIS 90 CO 0.03 -0.46 -0.49 -0.92 0.86 0.00 0.00 177.93 176.94 1a81 h TYR 91 N -0.38 -1.43 0.00 2.45 5.03 -0.37 -0.47 116.97 121.80 1a81 h TYR 91 Ca 0.11 0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.47 1a81 h TYR 91 Cb 0.60 0.63 0.00 0.00 1.55 0.00 0.00 36.73 39.51 1a81 h TYR 91 CO -0.62 -0.54 0.00 0.72 -1.32 0.00 0.00 178.16 176.40 1a81 n HIS 92 N -5.45 0.00 1.15 -3.82 8.25 0.12 -1.25 115.22 114.22 1a81 n HIS 92 Ca -0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.53 1a81 n HIS 92 Cb 0.38 0.00 0.48 0.00 1.12 0.00 0.00 29.99 31.98 1a81 n HIS 92 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1a81 n SER 93 N -0.99 0.38 -0.00 0.41 3.41 0.40 -2.32 113.62 114.90 1a81 n SER 93 Ca 0.13 -0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1a81 n SER 93 Cb 0.06 -0.08 -0.01 0.00 -0.26 0.00 0.00 64.21 63.92 1a81 n SER 93 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a81 n GLN 94 N -1.27 1.26 -3.78 4.33 1.13 -0.38 -4.35 117.38 114.32 1a81 n GLN 94 Ca 0.09 -0.01 -0.25 0.00 -1.94 0.00 0.00 57.00 54.90 1a81 n GLN 94 Cb 0.32 -1.03 -0.17 0.00 0.11 0.00 0.00 30.24 29.47 1a81 n GLN 94 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 1a81 s GLU 95 N -2.06 0.75 0.10 -1.09 2.02 -1.02 -5.03 118.70 112.37 1a81 s GLU 95 Ca -0.00 -0.09 -0.32 0.00 0.02 0.00 0.00 54.97 54.57 1a81 s GLU 95 Cb 0.01 -1.38 -0.14 0.00 0.10 0.00 0.00 34.13 32.72 1a81 s GLU 95 CO 0.05 -0.39 1.51 0.66 0.02 0.00 0.00 175.26 177.11 1a81 h SER 96 N 8.28 -1.47 -6.57 -0.19 4.64 -1.89 -3.40 113.55 112.95 1a81 h SER 96 Ca -0.20 0.15 -0.44 0.00 -0.47 0.00 0.00 61.79 60.83 1a81 h SER 96 Cb 1.12 0.54 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1a81 h SER 96 CO 0.30 -0.52 -0.94 -0.67 -0.87 0.00 0.00 176.83 174.13 1a81 n ASP 97 N -5.24 -5.16 0.00 4.97 -0.08 -1.26 -1.82 116.55 107.96 1a81 n ASP 97 Ca -0.08 -0.90 0.00 0.00 -1.51 0.00 0.00 54.79 52.30 1a81 n ASP 97 Cb 0.38 -2.23 0.00 0.00 2.34 0.00 0.00 41.12 41.61 1a81 n ASP 97 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1a81 n GLY 98 N -1.73 2.48 3.67 0.27 0.00 -1.26 -5.01 105.19 103.61 1a81 n GLY 98 Ca -0.24 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 44.81 1a81 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1a81 n LEU 99 N 0.00 3.09 -0.09 0.99 4.77 -0.76 -4.78 117.00 120.23 1a81 n LEU 99 Ca 0.00 1.14 0.25 0.00 -0.03 0.00 0.00 56.01 57.37 1a81 n LEU 99 Cb 0.00 -1.43 0.53 0.00 -2.33 0.00 0.00 43.42 40.19 1a81 n LEU 99 CO 0.00 -0.50 1.23 -0.37 -1.33 0.00 0.00 177.39 176.41 1a81 h VAL 100 N 3.02 0.11 -1.77 4.08 -1.51 -1.95 -3.43 116.25 114.80 1a81 h VAL 100 Ca -0.45 0.00 0.25 0.00 -1.23 0.00 0.00 66.70 65.27 1a81 h VAL 100 Cb 1.28 0.22 -0.13 0.00 -2.13 0.00 0.00 31.29 30.52 1a81 h VAL 100 CO 0.75 0.00 0.70 0.00 -1.23 0.00 0.00 177.57 177.79 1a81 s LEU 102 N -2.72 3.44 -1.02 0.00 2.01 -1.26 -4.85 118.68 114.28 1a81 s LEU 102 Ca 0.11 2.06 -0.16 0.00 0.01 0.00 0.00 54.13 56.16 1a81 s LEU 102 Cb 0.01 -4.56 0.17 0.00 0.01 0.00 0.00 46.19 41.82 1a81 s LEU 102 CO -0.03 -1.62 1.17 -0.76 1.01 0.00 0.00 176.35 176.12 1a81 s LEU 103 N -4.72 5.42 -0.00 1.79 1.43 -0.98 -4.40 118.68 117.21 1a81 s LEU 103 Ca 0.68 -2.56 -0.01 0.00 -1.03 0.00 0.00 54.13 51.21 1a81 s LEU 103 Cb -0.22 -2.36 -0.01 0.00 0.03 0.00 0.00 46.19 43.64 1a81 s LEU 103 CO 0.39 -0.83 0.49 0.11 0.23 0.00 0.00 176.35 176.75 1a81 h LYS 104 N 7.98 -0.04 -5.54 1.70 1.57 -1.72 -3.41 116.57 117.12 1a81 h LYS 104 Ca 0.20 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.31 1a81 h LYS 104 Cb 0.97 0.01 -0.29 0.00 0.08 0.00 0.00 32.23 33.00 1a81 h LYS 104 CO 1.09 -0.02 -0.81 0.21 -0.57 0.00 0.00 179.45 179.34 1a81 s LYS 105 N -2.05 3.08 0.79 3.15 2.20 -0.43 -4.99 119.74 121.49 1a81 s LYS 105 Ca -0.01 -0.77 -0.12 0.00 -0.36 0.00 0.00 55.97 54.72 1a81 s LYS 105 Cb 0.00 -2.45 0.07 0.00 -1.51 0.00 0.00 37.83 33.93 1a81 s LYS 105 CO 0.02 0.28 1.14 -1.25 -0.36 0.00 0.00 175.35 175.18 1a81 s PRO 106 N 0.15 2.13 -0.33 4.03 0.04 -1.26 -0.37 135.00 139.40 1a81 s PRO 106 Ca -0.09 0.28 0.03 0.00 0.04 0.00 0.00 61.00 61.26 1a81 s PRO 106 Cb -0.16 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.52 1a81 s PRO 106 CO 0.06 -1.51 0.02 0.12 0.04 0.00 0.00 177.00 175.73 1a81 s PHE 107 N -3.44 3.59 0.89 0.56 2.19 0.10 -4.65 117.98 117.23 1a81 s PHE 107 Ca 0.61 -2.70 -0.11 0.00 0.33 0.00 0.00 56.93 55.05 1a81 s PHE 107 Cb -0.12 -2.66 0.12 0.00 -1.31 0.00 0.00 43.02 39.05 1a81 s PHE 107 CO 0.51 -0.93 1.09 -0.80 1.83 0.00 0.00 175.22 176.92 1a81 s ASN 108 N 1.07 3.51 -0.24 6.13 -0.87 -1.26 -4.48 114.94 118.80 1a81 s ASN 108 Ca 0.05 1.55 -0.28 0.00 -1.57 0.00 0.00 52.86 52.60 1a81 s ASN 108 Cb -0.20 -2.23 -0.04 0.00 -0.02 0.00 0.00 41.25 38.77 1a81 s ASN 108 CO -0.06 -2.63 2.05 -0.60 -2.57 0.00 0.00 177.10 173.29 1a81 s ARG 109 N -4.91 3.28 0.99 -0.60 3.52 0.85 -4.88 118.95 117.20 1a81 s ARG 109 Ca 0.63 1.86 -0.17 0.00 -0.13 0.00 0.00 55.73 57.92 1a81 s ARG 109 Cb -0.18 -4.29 -0.11 0.00 -1.56 0.00 0.00 34.95 28.81 1a81 s ARG 109 CO 0.57 -1.93 -0.60 -2.30 -0.81 0.00 0.00 175.30 170.23 1a81 n PRO 110 N 8.54 -0.09 -1.68 5.12 -0.02 -1.26 -4.74 135.00 140.86 1a81 n PRO 110 Ca 0.27 -0.02 -0.46 0.00 -2.02 0.00 0.00 63.50 61.27 1a81 n PRO 110 Cb 0.45 -1.19 -0.04 0.00 -0.02 0.00 0.00 33.50 32.70 1a81 n PRO 110 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1a81 n GLN 111 N 1.56 2.26 0.00 -0.52 1.13 -1.26 -2.64 117.38 117.92 1a81 n GLN 111 Ca -0.00 0.82 0.00 0.00 -1.94 0.00 0.00 57.00 55.88 1a81 n GLN 111 Cb 0.57 -2.63 0.00 0.00 0.11 0.00 0.00 30.24 28.29 1a81 n GLN 111 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1a81 n GLY 112 N 3.84 2.21 2.38 1.08 0.00 -1.26 -5.01 105.19 108.42 1a81 n GLY 112 Ca 0.19 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1a81 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1a81 n VAL 113 N 0.00 0.00 -4.33 1.61 0.31 -1.08 -5.04 118.33 109.80 1a81 n VAL 113 Ca 0.00 -0.37 -0.18 0.00 -0.01 0.00 0.00 64.34 63.78 1a81 n VAL 113 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 1a81 n VAL 113 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1a81 s GLN 114 N -0.87 1.52 -0.04 5.55 -1.52 -1.26 -4.83 119.66 118.22 1a81 s GLN 114 Ca 0.40 -1.85 -0.30 0.00 -1.95 0.00 0.00 55.36 51.66 1a81 s GLN 114 Cb -0.33 -0.19 -0.03 0.00 -0.22 0.00 0.00 33.01 32.24 1a81 s GLN 114 CO 0.51 -0.38 1.11 -2.14 -0.25 0.00 0.00 175.29 174.15 1a81 s PRO 115 N -3.92 4.42 0.76 2.91 0.02 -1.26 -4.74 135.00 133.19 1a81 s PRO 115 Ca 0.36 1.58 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 1a81 s PRO 115 Cb 0.06 -3.50 0.06 0.00 0.02 0.00 0.00 34.50 31.14 1a81 s PRO 115 CO 0.16 -0.31 1.18 0.15 -0.33 0.00 0.00 177.00 177.85 1a81 s LYS 116 N 1.74 2.01 0.03 5.54 1.02 -1.26 -4.50 119.74 124.33 1a81 s LYS 116 Ca 0.54 1.66 0.07 0.00 0.02 0.00 0.00 55.97 58.26 1a81 s LYS 116 Cb -0.23 -1.83 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 1a81 s LYS 116 CO 0.23 -1.91 -0.21 0.99 -0.92 0.00 0.00 175.35 173.53 1a81 s THR 117 N -2.18 1.65 0.90 2.17 2.01 -1.26 -0.21 115.64 118.72 1a81 s THR 117 Ca 0.72 -1.15 -0.14 0.00 0.31 0.00 0.00 61.69 61.43 1a81 s THR 117 Cb -0.27 -1.42 0.14 0.00 0.01 0.00 0.00 72.50 70.96 1a81 s THR 117 CO 0.48 0.24 1.23 -0.83 -0.69 0.00 0.00 174.62 175.04 1a81 s GLY 118 N -1.07 1.66 0.00 4.40 0.00 -1.26 -4.79 107.32 106.26 1a81 s GLY 118 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1a81 s GLY 118 CO 0.01 -0.23 0.76 -1.55 0.00 0.00 0.00 173.10 172.09 1a81 n PRO 119 N -3.62 0.97 0.00 2.90 -0.05 -1.26 -3.59 135.00 130.36 1a81 n PRO 119 Ca 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.56 1a81 n PRO 119 Cb 0.60 -1.22 0.00 0.00 -0.05 0.00 0.00 33.50 32.84 1a81 n PRO 119 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 175.50 177.42 1a81 n PHE 120 N -0.27 0.00 0.17 0.54 1.16 -1.26 -4.50 117.46 113.30 1a81 n PHE 120 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.63 1a81 n PHE 120 Cb 0.11 0.00 0.27 0.00 -1.61 0.00 0.00 39.48 38.24 1a81 n PHE 120 CO 0.00 0.00 0.00 0.93 -1.87 0.00 0.00 176.76 175.82 1a81 h GLU 121 N 0.00 0.00 0.00 3.97 4.39 -1.94 0.71 114.58 121.71 1a81 h GLU 121 Ca 0.00 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.38 1a81 h GLU 121 Cb 0.30 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.90 1a81 h GLU 121 CO 0.00 0.00 -1.97 -0.40 -1.16 0.00 0.00 179.01 175.48 1a81 n ASP 122 N -2.00 1.94 0.06 1.42 5.68 -1.26 -4.03 116.55 118.36 1a81 n ASP 122 Ca -0.01 0.36 -0.01 0.00 -0.50 0.00 0.00 54.79 54.63 1a81 n ASP 122 Cb 0.45 -0.82 0.26 0.00 -1.14 0.00 0.00 41.12 39.87 1a81 n ASP 122 CO 0.00 0.00 0.00 0.17 -1.33 0.00 0.00 177.20 176.04 1a81 h LEU 123 N -1.00 0.35 0.00 -2.12 8.10 -1.10 -3.26 115.31 116.28 1a81 h LEU 123 Ca -0.48 -0.11 0.00 0.00 0.11 0.00 0.00 57.88 57.40 1a81 h LEU 123 Cb 1.40 -0.09 0.00 0.00 -0.44 0.00 0.00 40.66 41.52 1a81 h LEU 123 CO -0.29 0.61 0.00 0.29 -4.11 0.00 0.00 178.44 174.94 1a81 n LYS 124 N -4.14 0.00 0.02 0.17 4.76 0.22 0.70 118.16 119.89 1a81 n LYS 124 Ca -0.01 0.71 0.16 0.00 -2.87 0.00 0.00 58.31 56.30 1a81 n LYS 124 Cb 0.39 -1.36 0.24 0.00 -1.84 0.00 0.00 35.03 32.46 1a81 n LYS 124 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1a81 n GLU 125 N -2.18 0.02 -0.10 1.97 4.07 -1.23 -0.19 120.64 122.99 1a81 n GLU 125 Ca 0.00 0.98 -0.15 0.00 -0.06 0.00 0.00 57.16 57.92 1a81 n GLU 125 Cb 0.00 -2.51 -0.06 0.00 -0.06 0.00 0.00 31.44 28.81 1a81 n GLU 125 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 1a81 n ASN 126 N -2.90 1.91 -0.50 4.31 5.15 0.00 -3.64 115.26 119.58 1a81 n ASN 126 Ca 0.13 0.41 0.42 0.00 -0.60 0.00 0.00 54.58 54.94 1a81 n ASN 126 Cb 1.29 -0.82 0.70 0.00 -0.53 0.00 0.00 39.78 40.42 1a81 n ASN 126 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1a81 n LEU 127 N -4.43 0.19 0.03 1.20 7.94 0.22 0.15 117.00 122.29 1a81 n LEU 127 Ca -0.26 1.35 -0.19 0.00 -1.11 0.00 0.00 56.01 55.80 1a81 n LEU 127 Cb 0.58 -0.66 -0.14 0.00 0.53 0.00 0.00 43.42 43.73 1a81 n LEU 127 CO 0.14 -1.46 0.04 0.16 -1.11 0.00 0.00 177.39 175.17 1a81 h ILE 128 N 0.00 1.50 -0.12 1.96 -0.00 -1.54 -2.09 117.51 117.22 1a81 h ILE 128 Ca 0.89 -2.49 0.04 0.00 -0.00 0.00 0.00 64.86 63.30 1a81 h ILE 128 Cb 2.97 3.17 -0.00 0.00 -0.00 0.00 0.00 36.82 42.96 1a81 h ILE 128 CO -0.42 0.69 0.45 -0.09 -0.00 0.00 0.00 178.15 178.78 1a81 h ARG 129 N -0.47 0.00 0.00 0.16 2.43 0.14 0.35 114.38 116.99 1a81 h ARG 129 Ca -0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1a81 h ARG 129 Cb 1.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1a81 h ARG 129 CO 0.11 0.00 -0.02 1.49 -1.51 0.00 0.00 179.97 180.04 1a81 h GLU 130 N 0.00 0.00 -0.83 0.20 4.57 -0.69 -3.04 114.58 114.78 1a81 h GLU 130 Ca 0.06 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.41 1a81 h GLU 130 Cb 0.95 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.38 1a81 h GLU 130 CO -0.00 0.00 -0.20 0.98 -1.18 0.00 0.00 179.01 178.60 1a81 n TYR 131 N -4.11 0.30 0.37 0.92 4.19 0.04 -0.22 117.16 118.66 1a81 n TYR 131 Ca -0.00 1.02 -0.16 0.00 3.31 0.00 0.00 57.90 62.06 1a81 n TYR 131 Cb 0.01 -0.99 -0.08 0.00 0.49 0.00 0.00 39.34 38.77 1a81 n TYR 131 CO 0.00 0.00 0.00 0.28 0.91 0.00 0.00 176.86 178.05 1a81 h VAL 132 N 0.00 0.18 -1.00 2.97 2.07 -1.52 0.49 116.25 119.44 1a81 h VAL 132 Ca 0.40 -0.22 0.34 0.00 0.82 0.00 0.00 66.70 68.04 1a81 h VAL 132 Cb 0.62 0.23 -0.15 0.00 -1.52 0.00 0.00 31.29 30.46 1a81 h VAL 132 CO -0.86 0.02 0.55 0.11 0.02 0.00 0.00 177.57 177.40 1a81 h LYS 133 N -1.13 0.25 0.00 1.57 6.56 -0.66 0.26 116.57 123.43 1a81 h LYS 133 Ca -0.10 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.48 1a81 h LYS 133 Cb 0.75 -0.06 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 1a81 h LYS 133 CO 0.16 0.17 -0.01 0.37 -2.06 0.00 0.00 179.45 178.07 1a81 h GLN 134 N 0.26 0.00 0.00 3.15 4.15 -0.29 -2.04 115.11 120.33 1a81 h GLN 134 Ca 0.75 0.00 0.00 0.00 0.77 0.00 0.00 58.65 60.17 1a81 h GLN 134 Cb 1.75 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.44 1a81 h GLN 134 CO -0.64 0.00 0.00 0.25 -1.93 0.00 0.00 178.83 176.51 1a81 n THR 135 N -2.28 0.54 -0.26 2.39 -2.24 0.17 -2.08 114.28 110.51 1a81 n THR 135 Ca -0.00 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 61.91 1a81 n THR 135 Cb 0.01 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.39 1a81 n THR 135 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1a81 n TRP 136 N -1.31 0.00 -2.14 4.78 7.02 0.89 -5.01 117.44 121.67 1a81 n TRP 136 Ca 0.08 -0.22 0.00 0.00 -1.02 0.00 0.00 57.50 56.33 1a81 n TRP 136 Cb 0.14 -0.02 0.00 0.00 -2.42 0.00 0.00 31.31 29.01 1a81 n TRP 136 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 1a81 n ASN 137 N -0.22 0.00 -4.87 -0.99 0.23 -0.77 -4.88 115.26 103.76 1a81 n ASN 137 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.80 1a81 n ASN 137 Cb 0.22 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.88 1a81 n ASN 137 CO 0.00 0.00 0.00 -1.48 -0.93 0.00 0.00 177.26 174.85 1a81 s LEU 138 N -2.85 4.06 0.55 -4.53 2.34 -1.25 -5.03 118.68 111.97 1a81 s LEU 138 Ca 0.00 -0.02 -0.10 0.00 0.06 0.00 0.00 54.13 54.08 1a81 s LEU 138 Cb 0.00 -2.63 -0.05 0.00 -0.56 0.00 0.00 46.19 42.95 1a81 s LEU 138 CO 0.00 0.03 0.93 0.00 -1.06 0.00 0.00 176.35 176.25 1a81 s GLN 139 N -3.37 3.64 0.00 1.48 -2.07 -1.26 -4.55 119.66 113.53 1a81 s GLN 139 Ca 0.33 0.59 0.00 0.00 -1.82 0.00 0.00 55.36 54.45 1a81 s GLN 139 Cb -0.10 -2.20 0.00 0.00 -1.09 0.00 0.00 33.01 29.62 1a81 s GLN 139 CO 0.26 -0.38 0.00 0.41 -1.32 0.00 0.00 175.29 174.26 1a81 n GLY 140 N -2.35 0.00 0.18 2.60 0.00 -1.26 1.00 105.19 105.35 1a81 n GLY 140 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.12 1a81 n GLY 140 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1a81 h GLN 141 N 0.00 0.00 -0.21 1.61 7.50 -2.02 -3.26 115.11 118.74 1a81 h GLN 141 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1a81 h GLN 141 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 1a81 h GLN 141 CO 0.00 0.37 0.14 0.00 -1.50 0.00 0.00 178.83 177.84 1a81 h ALA 142 N 1.63 0.27 0.06 3.87 0.00 0.29 -3.02 119.26 122.36 1a81 h ALA 142 Ca -0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1a81 h ALA 142 Cb 1.09 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 1a81 h ALA 142 CO 0.05 -0.26 -0.49 1.25 0.00 0.00 0.00 179.25 179.80 1a81 h LEU 143 N 0.28 -1.50 -0.93 0.00 5.85 -1.30 -1.95 115.31 115.76 1a81 h LEU 143 Ca 0.08 0.16 0.24 0.00 0.84 0.00 0.00 57.88 59.20 1a81 h LEU 143 Cb -0.03 0.56 -0.17 0.00 0.37 0.00 0.00 40.66 41.39 1a81 h LEU 143 CO -0.02 -0.50 0.04 -0.33 -0.34 0.00 0.00 178.44 177.30 1a81 h GLU 144 N -0.66 0.05 0.00 1.25 4.39 -1.65 -1.42 114.58 116.54 1a81 h GLU 144 Ca 0.00 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1a81 h GLU 144 Cb 0.68 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1a81 h GLU 144 CO -0.29 0.03 0.00 1.04 -1.16 0.00 0.00 179.01 178.63 1a81 n GLN 145 N -5.43 0.00 -0.03 2.33 1.13 -0.78 -2.68 117.38 111.92 1a81 n GLN 145 Ca 0.21 0.23 0.01 0.00 -1.94 0.00 0.00 57.00 55.50 1a81 n GLN 145 Cb 0.68 -1.18 0.02 0.00 0.11 0.00 0.00 30.24 29.87 1a81 n GLN 145 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1a81 n ALA 146 N -1.11 0.03 0.16 -1.58 0.00 -0.59 0.10 120.51 117.52 1a81 n ALA 146 Ca 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1a81 n ALA 146 Cb 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 1a81 n ALA 146 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1a81 h ILE 147 N 0.00 0.73 -0.34 0.00 2.04 -1.26 0.13 117.51 118.81 1a81 h ILE 147 Ca 0.04 -0.47 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1a81 h ILE 147 Cb 0.08 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1a81 h ILE 147 CO -0.08 0.10 0.20 0.16 0.00 0.00 0.00 178.15 178.53 1a81 h ILE 148 N -0.67 1.05 -0.03 -0.67 -2.65 0.92 2.47 117.51 117.92 1a81 h ILE 148 Ca -0.04 -0.14 0.02 0.00 1.03 0.00 0.00 64.86 65.72 1a81 h ILE 148 Cb 0.47 0.60 -0.02 0.00 -2.05 0.00 0.00 36.82 35.82 1a81 h ILE 148 CO 0.07 0.08 -0.06 0.28 0.03 0.00 0.00 178.15 178.55 1a81 h SER 149 N 0.41 -0.17 0.47 2.16 0.02 -1.26 -3.32 113.55 111.86 1a81 h SER 149 Ca 0.13 0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.82 1a81 h SER 149 Cb -0.01 0.08 -0.05 0.00 0.14 0.00 0.00 62.40 62.56 1a81 h SER 149 CO -0.05 -0.08 -1.73 0.00 -1.14 0.00 0.00 176.83 173.82 1a81 n GLN 150 N -5.18 0.63 -0.06 3.45 3.00 0.44 -4.68 117.38 114.98 1a81 n GLN 150 Ca -0.05 0.29 -0.01 0.00 -0.01 0.00 0.00 57.00 57.22 1a81 n GLN 150 Cb 0.11 -1.79 0.00 0.00 0.00 0.00 0.00 30.24 28.56 1a81 n GLN 150 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a81 n LYS 151 N -3.04 -0.04 -0.34 -1.09 4.81 0.83 0.15 118.16 119.43 1a81 n LYS 151 Ca -0.17 0.23 0.09 0.00 -0.87 0.00 0.00 58.31 57.59 1a81 n LYS 151 Cb 1.05 -0.35 0.19 0.00 0.02 0.00 0.00 35.03 35.95 1a81 n LYS 151 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1a81 n PRO 152 N -4.22 -0.08 0.09 1.64 -0.04 -1.26 -1.59 135.00 129.54 1a81 n PRO 152 Ca 0.01 1.48 -0.12 0.00 -0.04 0.00 0.00 63.50 64.83 1a81 n PRO 152 Cb 0.06 -2.27 -0.08 0.00 -0.04 0.00 0.00 33.50 31.17 1a81 n PRO 152 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1a81 h GLN 153 N 0.00 -0.26 -0.28 0.54 -0.00 1.00 -3.33 115.11 112.78 1a81 h GLN 153 Ca 0.51 0.02 0.03 0.00 -0.00 0.00 0.00 58.65 59.21 1a81 h GLN 153 Cb 0.90 0.06 -0.04 0.00 0.00 0.00 0.00 27.48 28.40 1a81 h GLN 153 CO -0.96 0.12 -0.21 -0.07 0.00 0.00 0.00 178.83 177.70 1a81 h LEU 154 N -0.73 -0.76 -0.63 -2.39 -0.00 -1.21 0.37 115.31 109.95 1a81 h LEU 154 Ca -0.03 0.11 0.11 0.00 -0.00 0.00 0.00 57.88 58.07 1a81 h LEU 154 Cb 0.50 0.33 -0.11 0.00 -0.00 0.00 0.00 40.66 41.38 1a81 h LEU 154 CO 0.05 -0.11 -0.22 -0.62 -0.00 0.00 0.00 178.44 177.54 1a81 n GLU 155 N -3.78 -0.12 -0.09 1.13 1.02 -1.01 0.44 120.64 118.23 1a81 n GLU 155 Ca -0.00 0.98 0.10 0.00 -0.02 0.00 0.00 57.16 58.22 1a81 n GLU 155 Cb 0.11 -1.45 0.47 0.00 -0.02 0.00 0.00 31.44 30.55 1a81 n GLU 155 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1a81 h LYS 156 N 0.00 0.47 0.00 3.49 1.63 -1.04 -1.73 116.57 119.39 1a81 h LYS 156 Ca 0.25 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.02 1a81 h LYS 156 Cb 0.40 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1a81 h LYS 156 CO -0.63 0.31 0.00 1.28 -3.45 0.00 0.00 179.45 176.96 1a81 n LEU 157 N -4.47 0.16 -0.32 5.20 7.99 1.52 -3.43 117.00 123.65 1a81 n LEU 157 Ca 0.09 0.72 0.14 0.00 -0.01 0.00 0.00 56.01 56.95 1a81 n LEU 157 Cb 0.31 -0.44 0.29 0.00 -0.11 0.00 0.00 43.42 43.48 1a81 n LEU 157 CO 0.34 -0.44 0.86 0.40 -1.51 0.00 0.00 177.39 177.04 1a81 h ILE 158 N 0.00 0.14 -0.47 -0.08 5.03 -1.11 -1.68 117.51 119.34 1a81 h ILE 158 Ca 0.00 -0.02 -0.13 0.00 -0.12 0.00 0.00 64.86 64.58 1a81 h ILE 158 Cb 0.00 0.06 -0.01 0.00 -3.03 0.00 0.00 36.82 33.84 1a81 h ILE 158 CO 0.00 0.01 -0.23 0.00 -0.68 0.00 0.00 178.15 177.26 1a81 h ALA 159 N 1.90 0.66 -0.01 1.87 0.00 -1.45 -2.77 119.26 119.46 1a81 h ALA 159 Ca 0.58 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a81 h ALA 159 Cb 1.20 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1a81 h ALA 159 CO -0.81 0.66 0.01 1.79 0.00 0.00 0.00 179.25 180.90 1a81 h THR 160 N 0.84 0.55 -2.11 0.00 1.35 -1.33 -3.23 112.91 108.98 1a81 h THR 160 Ca 0.11 0.00 -0.57 0.00 -0.55 0.00 0.00 66.41 65.40 1a81 h THR 160 Cb 0.81 0.99 -0.39 0.00 -1.73 0.00 0.00 68.15 67.83 1a81 h THR 160 CO 0.07 0.00 -1.05 0.35 -0.25 0.00 0.00 175.52 174.64 1a81 n THR 161 N -3.88 -0.66 -0.02 6.82 -2.24 -1.06 -4.78 114.28 108.45 1a81 n THR 161 Ca -0.03 -3.93 -0.04 0.00 -2.27 0.00 0.00 64.05 57.78 1a81 n THR 161 Cb 0.09 -1.89 -0.02 0.00 -2.10 0.00 0.00 70.33 66.40 1a81 n THR 161 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a81 n ALA 162 N 1.74 2.18 -0.38 6.98 0.00 -1.10 -4.43 120.51 125.50 1a81 n ALA 162 Ca 0.24 -0.20 0.38 0.00 0.00 0.00 0.00 53.44 53.85 1a81 n ALA 162 Cb 0.51 0.41 0.72 0.00 0.00 0.00 0.00 19.45 21.09 1a81 n ALA 162 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1a81 h HIS 163 N -0.07 0.00 0.00 0.00 2.07 -1.86 0.71 115.15 116.00 1a81 h HIS 163 Ca -0.12 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.40 1a81 h HIS 163 Cb 1.15 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.13 1a81 h HIS 163 CO -0.00 0.00 0.13 0.39 -3.07 0.00 0.00 177.93 175.38 1a81 n GLU 164 N -3.90 0.00 0.00 5.12 1.02 -1.26 -0.31 120.64 121.32 1a81 n GLU 164 Ca 0.29 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.71 1a81 n GLU 164 Cb 1.47 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 31.26 1a81 n GLU 164 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1a81 n LYS 165 N -1.25 0.39 -3.27 3.49 0.00 0.25 -5.02 118.16 112.74 1a81 n LYS 165 Ca 0.00 -0.54 -0.39 0.00 0.00 0.00 0.00 58.31 57.38 1a81 n LYS 165 Cb 0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 35.03 34.40 1a81 n LYS 165 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.40 175.76 1a81 s MET 166 N -0.20 4.22 0.20 1.64 1.00 0.58 -5.00 119.30 121.75 1a81 s MET 166 Ca 0.00 0.73 -0.21 0.00 0.00 0.00 0.00 55.69 56.20 1a81 s MET 166 Cb 0.00 -3.26 0.14 0.00 0.00 0.00 0.00 34.83 31.71 1a81 s MET 166 CO 0.00 0.58 1.57 -1.00 0.00 0.00 0.00 175.02 176.17 1a81 h PRO 167 N 4.79 -0.11 0.00 2.03 0.13 -1.94 0.23 132.00 137.14 1a81 h PRO 167 Ca -0.49 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1a81 h PRO 167 Cb 1.21 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1a81 h PRO 167 CO 0.65 -0.07 0.19 0.11 -0.23 0.00 0.00 178.00 178.65 1a81 h TRP 168 N -0.11 0.00 -3.58 1.56 5.08 -1.86 -3.39 115.95 113.64 1a81 h TRP 168 Ca 0.26 0.00 -0.70 0.00 1.08 0.00 0.00 58.89 59.53 1a81 h TRP 168 Cb 0.56 0.00 -0.19 0.00 -3.00 0.00 0.00 29.16 26.53 1a81 h TRP 168 CO -0.75 0.00 -0.37 0.12 -1.28 0.00 0.00 178.44 176.16 1a81 s PHE 169 N -3.99 3.22 -0.46 0.12 5.36 0.07 0.18 117.98 122.47 1a81 s PHE 169 Ca -0.04 -0.37 -0.10 0.00 -0.96 0.00 0.00 56.93 55.46 1a81 s PHE 169 Cb 0.09 -2.65 0.11 0.00 -0.34 0.00 0.00 43.02 40.23 1a81 s PHE 169 CO 0.30 -0.54 0.33 -1.01 -1.46 0.00 0.00 175.22 172.84 1a81 s HIS 170 N 1.85 3.39 0.00 10.12 3.76 0.58 -4.76 115.29 130.23 1a81 s HIS 170 Ca 0.08 -1.74 0.00 0.00 -0.15 0.00 0.00 55.06 53.25 1a81 s HIS 170 Cb -0.18 -3.38 0.00 0.00 1.11 0.00 0.00 32.58 30.13 1a81 s HIS 170 CO 0.11 -0.96 0.00 0.41 -0.85 0.00 0.00 174.74 173.45 1a81 n GLY 171 N 4.94 0.00 3.75 -2.22 0.00 -1.26 -4.27 105.19 106.12 1a81 n GLY 171 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.56 1a81 n GLY 171 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 172 N 0.00 4.21 -0.13 1.61 2.36 -1.26 -1.44 119.74 125.09 1a81 s LYS 172 Ca 0.00 0.28 -0.28 0.00 -2.55 0.00 0.00 55.97 53.42 1a81 s LYS 172 Cb 0.00 -3.39 0.07 0.00 -1.05 0.00 0.00 37.83 33.46 1a81 s LYS 172 CO 0.00 0.30 0.67 0.42 1.55 0.00 0.00 175.35 178.29 1a81 s ILE 173 N 0.22 0.00 0.69 5.43 1.01 -1.26 -4.95 121.20 122.35 1a81 s ILE 173 Ca 0.21 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.68 1a81 s ILE 173 Cb -0.14 -0.97 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1a81 s ILE 173 CO 0.08 -0.01 0.86 -1.54 0.00 0.00 0.00 174.94 174.33 1a81 n SER 174 N 1.62 0.14 0.32 3.58 3.41 -1.26 -4.83 113.62 116.60 1a81 n SER 174 Ca -0.17 0.68 0.21 0.00 -0.26 0.00 0.00 58.87 59.33 1a81 n SER 174 Cb 0.56 -1.36 1.07 0.00 -0.26 0.00 0.00 64.21 64.22 1a81 n SER 174 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1a81 h ARG 175 N -0.11 0.00 0.00 4.33 2.43 -2.00 -2.82 114.38 116.20 1a81 h ARG 175 Ca -0.47 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.64 1a81 h ARG 175 Cb 1.35 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 1a81 h ARG 175 CO 0.47 0.01 -0.75 0.39 -1.51 0.00 0.00 179.97 178.58 1a81 n GLU 176 N -3.15 0.48 -0.23 0.20 4.71 -1.26 -3.05 120.64 118.34 1a81 n GLU 176 Ca -0.02 0.50 0.22 0.00 -0.01 0.00 0.00 57.16 57.84 1a81 n GLU 176 Cb 0.13 -1.67 0.33 0.00 -1.01 0.00 0.00 31.44 29.22 1a81 n GLU 176 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1a81 n GLU 177 N -4.56 0.01 -0.03 3.49 1.02 -1.12 0.24 120.64 119.68 1a81 n GLU 177 Ca -0.14 0.60 -0.01 0.00 -0.02 0.00 0.00 57.16 57.59 1a81 n GLU 177 Cb 0.38 -1.44 -0.00 0.00 -0.02 0.00 0.00 31.44 30.35 1a81 n GLU 177 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1a81 h SER 178 N 0.00 0.00 -0.64 1.62 4.64 -1.63 -2.53 113.55 115.01 1a81 h SER 178 Ca 0.38 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.87 1a81 h SER 178 Cb 1.87 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.84 1a81 h SER 178 CO -0.00 0.31 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.64 1a81 n GLU 179 N -3.41 -0.05 0.00 4.77 -0.58 0.65 0.20 120.64 122.22 1a81 n GLU 179 Ca -0.02 0.97 0.00 0.00 -0.42 0.00 0.00 57.16 57.69 1a81 n GLU 179 Cb 0.06 -1.53 0.00 0.00 -0.57 0.00 0.00 31.44 29.40 1a81 n GLU 179 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1a81 n GLN 180 N -4.86 0.00 0.14 3.49 6.02 0.12 -1.54 117.38 120.75 1a81 n GLN 180 Ca 0.15 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.22 1a81 n GLN 180 Cb 0.48 -0.79 0.13 0.00 1.02 0.00 0.00 30.24 31.09 1a81 n GLN 180 CO 0.00 0.00 0.00 1.51 -1.01 0.00 0.00 177.06 177.56 1a81 n ILE 181 N -0.40 0.00 0.20 5.09 3.06 -0.01 0.30 119.36 127.59 1a81 n ILE 181 Ca 0.00 1.02 0.11 0.00 -2.50 0.00 0.00 62.75 61.39 1a81 n ILE 181 Cb 0.00 -1.97 -0.02 0.00 0.54 0.00 0.00 39.64 38.19 1a81 n ILE 181 CO 0.00 0.00 0.00 0.55 -2.50 0.00 0.00 176.55 174.60 1a81 n VAL 182 N -2.63 0.40 0.09 9.51 3.14 0.13 -3.91 118.33 125.05 1a81 n VAL 182 Ca 0.07 -0.47 -0.07 0.00 -2.96 0.00 0.00 64.34 60.92 1a81 n VAL 182 Cb 1.11 -0.16 0.01 0.00 -1.06 0.00 0.00 33.84 33.74 1a81 n VAL 182 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 1a81 h LEU 183 N 0.00 0.17-10.27 6.55 -0.00 0.56 -3.44 115.31 108.89 1a81 h LEU 183 Ca 0.00 -0.14 -0.52 0.00 -0.00 0.00 0.00 57.88 57.22 1a81 h LEU 183 Cb 0.93 -0.05 0.19 0.00 -0.00 0.00 0.00 40.66 41.73 1a81 h LEU 183 CO 0.00 0.93 0.24 -0.63 -0.00 0.00 0.00 178.44 178.98 1a81 s ILE 184 N -3.22 2.13 0.00 1.22 -1.09 -0.96 -4.72 121.20 114.56 1a81 s ILE 184 Ca -0.02 0.04 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1a81 s ILE 184 Cb 0.11 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.86 1a81 s ILE 184 CO 0.81 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 175.08 1a81 n GLY 185 N 0.14 -1.24 3.66 6.18 0.00 -1.26 -4.82 105.19 107.86 1a81 n GLY 185 Ca 0.12 -1.17 -0.48 0.00 0.00 0.00 0.00 46.02 44.49 1a81 n GLY 185 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a81 n SER 186 N -1.19 2.95 -1.32 1.61 2.88 -1.26 -4.88 113.62 112.42 1a81 n SER 186 Ca 0.00 1.06 -0.03 0.00 -1.33 0.00 0.00 58.87 58.57 1a81 n SER 186 Cb 0.00 -1.37 0.14 0.00 -0.75 0.00 0.00 64.21 62.22 1a81 n SER 186 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1a81 n LYS 187 N 4.05 2.21 -1.68 -1.46 -0.00 -1.26 -4.93 118.16 115.09 1a81 n LYS 187 Ca 0.19 -1.38 -0.47 0.00 -0.00 0.00 0.00 58.31 56.65 1a81 n LYS 187 Cb 0.27 -1.70 -0.05 0.00 -0.00 0.00 0.00 35.03 33.56 1a81 n LYS 187 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1a81 n THR 188 N 0.05 0.34 -1.78 0.58 5.66 -1.26 -4.78 114.28 113.09 1a81 n THR 188 Ca 0.19 -0.06 -0.41 0.00 -3.05 0.00 0.00 64.05 60.72 1a81 n THR 188 Cb 0.83 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.89 1a81 n THR 188 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1a81 n ASN 189 N 5.28 3.77 0.00 1.09 3.02 -1.26 -2.82 115.26 124.33 1a81 n ASN 189 Ca 0.20 1.21 0.00 0.00 -0.03 0.00 0.00 54.58 55.97 1a81 n ASN 189 Cb 0.29 -1.62 0.00 0.00 -0.61 0.00 0.00 39.78 37.84 1a81 n ASN 189 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1a81 n GLY 190 N 0.46 1.01 3.75 7.41 0.00 0.08 -4.75 105.19 113.15 1a81 n GLY 190 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1a81 n GLY 190 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a81 n LYS 191 N -2.00 2.45 -4.01 1.61 4.81 -1.13 -1.21 118.16 118.69 1a81 n LYS 191 Ca 0.00 0.86 -0.11 0.00 -0.87 0.00 0.00 58.31 58.20 1a81 n LYS 191 Cb 0.00 -2.58 -0.04 0.00 0.02 0.00 0.00 35.03 32.43 1a81 n LYS 191 CO 0.00 0.00 0.00 -0.59 1.17 0.00 0.00 177.40 177.98 1a81 s PHE 192 N -1.13 0.54 -0.06 5.64 -0.71 0.13 -0.10 117.98 122.28 1a81 s PHE 192 Ca 0.56 -0.90 -0.29 0.00 -1.04 0.00 0.00 56.93 55.25 1a81 s PHE 192 Cb -0.49 0.18 0.11 0.00 -1.21 0.00 0.00 43.02 41.61 1a81 s PHE 192 CO 0.62 -1.09 0.92 -0.48 -1.34 0.00 0.00 175.22 173.85 1a81 s LEU 193 N -3.09 -0.37 -0.06 -1.99 2.34 0.30 -0.58 118.68 115.24 1a81 s LEU 193 Ca 0.24 0.13 0.03 0.00 0.06 0.00 0.00 54.13 54.59 1a81 s LEU 193 Cb -0.01 1.97 0.00 0.00 -0.56 0.00 0.00 46.19 47.59 1a81 s LEU 193 CO 0.12 -0.53 -0.16 0.27 -1.06 0.00 0.00 176.35 175.00 1a81 s ILE 194 N -2.51 1.36 0.12 1.48 -4.36 0.13 -0.02 121.20 117.41 1a81 s ILE 194 Ca 0.03 -0.64 0.10 0.00 -0.26 0.00 0.00 60.65 59.87 1a81 s ILE 194 Cb -0.01 -1.19 -0.04 0.00 1.25 0.00 0.00 42.46 42.47 1a81 s ILE 194 CO -0.05 0.40 -0.24 0.00 0.24 0.00 0.00 174.94 175.28 1a81 s ARG 195 N 0.32 1.30 -0.28 0.37 1.70 -0.86 -0.31 118.95 121.19 1a81 s ARG 195 Ca -0.10 -1.29 -0.24 0.00 -0.47 0.00 0.00 55.73 53.63 1a81 s ARG 195 Cb -0.14 -1.68 -0.00 0.00 -0.57 0.00 0.00 34.95 32.56 1a81 s ARG 195 CO 0.04 0.39 0.81 0.00 -1.08 0.00 0.00 175.30 175.46 1a81 s ALA 196 N -1.17 3.58 0.62 7.88 0.00 -0.52 -1.09 121.76 131.06 1a81 s ALA 196 Ca 0.12 -0.29 -0.18 0.00 0.00 0.00 0.00 51.96 51.61 1a81 s ALA 196 Cb -0.10 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1a81 s ALA 196 CO 0.06 -1.08 1.20 1.03 0.00 0.00 0.00 175.76 176.96 1a81 s ARG 197 N 2.92 2.81 0.00 0.00 0.52 -1.01 -3.98 118.95 120.22 1a81 s ARG 197 Ca 0.34 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 57.32 1a81 s ARG 197 Cb -0.15 -1.91 0.00 0.00 0.52 0.00 0.00 34.95 33.41 1a81 s ARG 197 CO 0.10 -1.32 0.34 -0.40 0.02 0.00 0.00 175.30 174.05 1a81 n ASP 198 N -1.86 0.00 -4.48 0.23 5.68 -1.26 -4.10 116.55 110.75 1a81 n ASP 198 Ca 0.13 0.05 -0.42 0.00 -0.50 0.00 0.00 54.79 54.05 1a81 n ASP 198 Cb 0.50 -0.05 -0.10 0.00 -1.14 0.00 0.00 41.12 40.33 1a81 n ASP 198 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 1a81 s ASN 199 N -1.69 6.12 0.00 -1.12 -0.87 -1.26 -4.91 114.94 111.20 1a81 s ASN 199 Ca 0.00 -0.74 0.00 0.00 -1.57 0.00 0.00 52.86 50.55 1a81 s ASN 199 Cb 0.00 -2.17 0.00 0.00 -0.02 0.00 0.00 41.25 39.06 1a81 s ASN 199 CO 0.00 -0.42 0.57 0.59 -2.57 0.00 0.00 177.10 175.26 1a81 n ASN 200 N 5.23 1.63 0.00 -1.22 4.13 -1.26 -0.91 115.26 122.86 1a81 n ASN 200 Ca -0.11 -1.09 0.00 0.00 1.68 0.00 0.00 54.58 55.06 1a81 n ASN 200 Cb 0.48 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.42 1a81 n ASN 200 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1a81 n GLY 201 N 1.04 0.00 3.89 7.41 0.00 -1.26 -5.09 105.19 111.18 1a81 n GLY 201 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 1a81 n GLY 201 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a81 s SER 202 N -4.61 6.42 0.38 1.61 0.15 -0.09 -3.08 113.70 114.48 1a81 s SER 202 Ca 0.00 0.44 0.05 0.00 0.70 0.00 0.00 55.95 57.14 1a81 s SER 202 Cb 0.00 -2.04 -0.03 0.00 -1.71 0.00 0.00 66.02 62.24 1a81 s SER 202 CO 0.00 0.29 0.18 -0.31 1.20 0.00 0.00 173.24 174.60 1a81 s TYR 203 N -1.26 1.76 -0.00 3.44 1.51 -0.16 -2.41 117.35 120.23 1a81 s TYR 203 Ca 0.25 -1.43 -0.06 0.00 -1.01 0.00 0.00 57.07 54.82 1a81 s TYR 203 Cb -0.13 -0.99 0.00 0.00 -0.11 0.00 0.00 41.96 40.74 1a81 s TYR 203 CO 0.15 -0.52 0.11 0.00 -1.11 0.00 0.00 175.55 174.18 1a81 s ALA 204 N -3.31 -0.26 -0.22 3.71 0.00 -0.25 -0.33 121.76 121.11 1a81 s ALA 204 Ca 0.30 -0.12 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 1a81 s ALA 204 Cb 0.02 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1a81 s ALA 204 CO 0.19 -0.18 -0.05 -1.17 0.00 0.00 0.00 175.76 174.55 1a81 s LEU 205 N -1.14 2.85 -0.04 0.00 1.98 0.04 -2.04 118.68 120.33 1a81 s LEU 205 Ca -0.12 -0.42 0.06 0.00 -2.89 0.00 0.00 54.13 50.76 1a81 s LEU 205 Cb -0.07 -1.72 -0.01 0.00 0.66 0.00 0.00 46.19 45.05 1a81 s LEU 205 CO 0.01 -0.02 -0.22 0.00 -1.89 0.00 0.00 176.35 174.23 1a81 s LEU 207 N -0.19 0.83 -0.02 0.00 2.34 -0.94 0.11 118.68 120.81 1a81 s LEU 207 Ca -0.01 -0.32 -0.16 0.00 0.06 0.00 0.00 54.13 53.70 1a81 s LEU 207 Cb -0.12 1.45 -0.05 0.00 -0.56 0.00 0.00 46.19 46.90 1a81 s LEU 207 CO 0.02 -0.71 0.45 -0.22 -1.06 0.00 0.00 176.35 174.83 1a81 s LEU 208 N -2.45 4.43 -0.25 1.48 2.96 0.85 -1.58 118.68 124.13 1a81 s LEU 208 Ca -0.00 0.96 -0.03 0.00 -0.22 0.00 0.00 54.13 54.84 1a81 s LEU 208 Cb 0.01 -2.66 0.11 0.00 0.50 0.00 0.00 46.19 44.16 1a81 s LEU 208 CO -0.07 0.23 0.23 -2.28 -1.32 0.00 0.00 176.35 173.13 1a81 s HIS 209 N -0.61 -0.23 -1.10 5.38 5.65 -0.49 -0.74 115.29 123.14 1a81 s HIS 209 Ca 0.25 -0.11 -0.09 0.00 0.25 0.00 0.00 55.06 55.35 1a81 s HIS 209 Cb -0.17 -0.49 -0.04 0.00 -1.18 0.00 0.00 32.58 30.70 1a81 s HIS 209 CO 0.13 -0.75 0.87 0.39 -0.65 0.00 0.00 174.74 174.73 1a81 n GLU 210 N 5.30 -2.44 -0.09 2.88 -0.58 -1.26 -2.12 120.64 122.33 1a81 n GLU 210 Ca -0.04 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 1a81 n GLU 210 Cb 0.47 -5.30 0.00 0.00 -0.57 0.00 0.00 31.44 26.04 1a81 n GLU 210 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a81 n GLY 211 N -1.38 0.00 3.87 0.62 0.00 -1.26 -4.93 105.19 102.10 1a81 n GLY 211 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1a81 n GLY 211 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1a81 s LYS 212 N -0.19 3.58 0.31 1.61 2.20 -0.90 -5.08 119.74 121.26 1a81 s LYS 212 Ca 0.00 0.02 -0.17 0.00 -0.36 0.00 0.00 55.97 55.45 1a81 s LYS 212 Cb 0.00 -3.20 -0.09 0.00 -1.51 0.00 0.00 37.83 33.03 1a81 s LYS 212 CO 0.00 0.75 0.77 0.54 -0.36 0.00 0.00 175.35 177.05 1a81 s VAL 213 N -1.03 4.59 -0.03 4.02 0.11 -1.26 -1.40 120.40 125.40 1a81 s VAL 213 Ca 0.17 1.14 0.03 0.00 -2.93 0.00 0.00 61.98 60.39 1a81 s VAL 213 Cb -0.13 -3.69 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 1a81 s VAL 213 CO 0.06 -0.08 -0.11 -0.76 -3.33 0.00 0.00 175.10 170.89 1a81 s LEU 214 N -2.69 1.77 -0.17 2.54 1.43 -0.61 -4.96 118.68 115.98 1a81 s LEU 214 Ca 0.52 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1a81 s LEU 214 Cb -0.12 -0.65 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 1a81 s LEU 214 CO 0.18 0.07 -0.11 -1.00 0.23 0.00 0.00 176.35 175.72 1a81 s HIS 215 N 0.25 2.86 -0.14 0.29 3.76 -1.26 -2.20 115.29 118.85 1a81 s HIS 215 Ca -0.05 -0.91 0.02 0.00 -0.15 0.00 0.00 55.06 53.97 1a81 s HIS 215 Cb -0.10 -1.95 0.01 0.00 1.11 0.00 0.00 32.58 31.65 1a81 s HIS 215 CO 0.01 -0.43 -0.21 0.71 -0.85 0.00 0.00 174.74 173.97 1a81 s TYR 216 N 0.90 2.60 0.31 1.40 2.02 -0.37 -4.97 117.35 119.24 1a81 s TYR 216 Ca -0.03 -1.35 -0.29 0.00 -0.37 0.00 0.00 57.07 55.04 1a81 s TYR 216 Cb -0.15 -1.79 -0.10 0.00 -0.40 0.00 0.00 41.96 39.53 1a81 s TYR 216 CO -0.00 -0.63 1.16 0.50 -1.57 0.00 0.00 175.55 175.00 1a81 s ARG 217 N 0.92 4.51 -0.04 -0.62 3.52 -1.26 -0.78 118.95 125.20 1a81 s ARG 217 Ca -0.05 1.91 0.05 0.00 -0.13 0.00 0.00 55.73 57.51 1a81 s ARG 217 Cb -0.15 -3.10 -0.01 0.00 -1.56 0.00 0.00 34.95 30.13 1a81 s ARG 217 CO -0.04 0.06 -0.19 0.42 -0.81 0.00 0.00 175.30 174.74 1a81 s ILE 218 N -1.19 1.55 -0.04 4.11 1.01 0.55 -3.73 121.20 123.46 1a81 s ILE 218 Ca 0.47 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.26 1a81 s ILE 218 Cb -0.34 -1.32 0.01 0.00 0.01 0.00 0.00 42.46 40.82 1a81 s ILE 218 CO 0.44 0.44 0.15 1.51 0.00 0.00 0.00 174.94 177.48 1a81 s ASP 219 N -0.10 -0.11 -0.58 3.58 1.47 -1.21 -0.99 116.67 118.73 1a81 s ASP 219 Ca -0.01 0.17 -0.22 0.00 1.18 0.00 0.00 52.55 53.67 1a81 s ASP 219 Cb -0.11 0.29 0.06 0.00 -0.34 0.00 0.00 42.92 42.82 1a81 s ASP 219 CO 0.02 -0.14 0.84 -0.75 0.68 0.00 0.00 175.17 175.82 1a81 s LYS 220 N -0.32 3.16 1.17 2.11 2.20 -1.18 -2.25 119.74 124.63 1a81 s LYS 220 Ca -0.04 -0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 54.65 1a81 s LYS 220 Cb -0.03 -4.16 0.27 0.00 -1.51 0.00 0.00 37.83 32.40 1a81 s LYS 220 CO 0.01 -1.55 1.05 0.16 -0.36 0.00 0.00 175.35 174.66 1a81 s ASP 221 N 3.22 1.13 0.26 1.43 1.47 -1.10 -4.66 116.67 118.42 1a81 s ASP 221 Ca 0.21 1.06 0.16 0.00 1.18 0.00 0.00 52.55 55.16 1a81 s ASP 221 Cb -0.17 -1.61 0.94 0.00 -0.34 0.00 0.00 42.92 41.74 1a81 s ASP 221 CO 0.12 -4.04 1.07 2.29 0.68 0.00 0.00 175.17 175.29 1a81 n LYS 222 N -4.76 -0.04 0.00 2.11 -0.00 -1.26 0.15 118.16 114.36 1a81 n LYS 222 Ca 0.07 0.91 0.13 0.00 -0.00 0.00 0.00 58.31 59.43 1a81 n LYS 222 Cb 0.58 -1.68 0.43 0.00 -0.00 0.00 0.00 35.03 34.35 1a81 n LYS 222 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1a81 n THR 223 N -4.39 0.00 -0.81 0.58 -1.04 -1.26 -4.91 114.28 102.44 1a81 n THR 223 Ca 0.26 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.27 1a81 n THR 223 Cb 0.93 -0.10 0.00 0.00 -1.82 0.00 0.00 70.33 69.34 1a81 n THR 223 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1a81 n GLY 224 N 1.50 1.01 3.14 3.41 0.00 0.39 -5.05 105.19 109.59 1a81 n GLY 224 Ca 0.06 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 1a81 n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a81 s LYS 225 N -1.94 2.39 0.37 1.61 1.02 -1.24 -4.82 119.74 117.12 1a81 s LYS 225 Ca 0.00 -1.28 -0.28 0.00 0.02 0.00 0.00 55.97 54.43 1a81 s LYS 225 Cb 0.00 -3.06 -0.11 0.00 -0.52 0.00 0.00 37.83 34.14 1a81 s LYS 225 CO 0.00 -0.59 1.49 -0.51 -0.92 0.00 0.00 175.35 174.83 1a81 s LEU 226 N 1.20 4.32 -0.30 3.17 1.02 -0.96 -2.69 118.68 124.45 1a81 s LEU 226 Ca -0.06 3.05 -0.17 0.00 0.02 0.00 0.00 54.13 56.97 1a81 s LEU 226 Cb -0.20 -3.67 0.19 0.00 0.02 0.00 0.00 46.19 42.54 1a81 s LEU 226 CO -0.03 -0.88 1.19 -0.94 0.02 0.00 0.00 176.35 175.72 1a81 s SER 227 N -0.12 -0.19 0.64 2.29 1.04 -0.95 -0.11 113.70 116.31 1a81 s SER 227 Ca 0.53 0.31 -0.18 0.00 0.48 0.00 0.00 55.95 57.09 1a81 s SER 227 Cb -0.47 1.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.64 1a81 s SER 227 CO 0.63 -0.05 1.29 -0.63 0.98 0.00 0.00 173.24 175.45 1a81 s ILE 228 N 1.02 2.09 0.14 -1.02 1.01 -1.26 -3.36 121.20 119.83 1a81 s ILE 228 Ca -0.07 0.06 -0.35 0.00 0.00 0.00 0.00 60.65 60.29 1a81 s ILE 228 Cb -0.03 -3.02 -0.15 0.00 0.01 0.00 0.00 42.46 39.28 1a81 s ILE 228 CO -0.11 -0.01 1.49 -2.65 0.00 0.00 0.00 174.94 173.65 1a81 n PRO 229 N -1.89 1.83 -2.21 2.79 -0.02 -1.24 -1.29 135.00 132.97 1a81 n PRO 229 Ca 0.16 0.66 -0.16 0.00 -2.02 0.00 0.00 63.50 62.13 1a81 n PRO 229 Cb 0.48 -2.38 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1a81 n PRO 229 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1a81 n GLU 230 N 3.04 -1.27 -4.46 -0.52 -0.58 -1.26 -5.01 120.64 110.58 1a81 n GLU 230 Ca 0.17 0.82 -0.22 0.00 -0.42 0.00 0.00 57.16 57.51 1a81 n GLU 230 Cb 0.26 -5.19 -0.11 0.00 -0.57 0.00 0.00 31.44 25.83 1a81 n GLU 230 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1a81 s GLY 231 N -2.34 2.09 1.00 0.62 0.00 -0.41 -5.12 107.32 103.15 1a81 s GLY 231 Ca 0.00 -2.07 -0.17 0.00 0.00 0.00 0.00 44.72 42.49 1a81 s GLY 231 CO 0.00 -1.83 -0.28 1.17 0.00 0.00 0.00 173.10 172.16 1a81 n LYS 232 N -0.70 -0.37 -5.22 2.90 4.81 -1.26 -4.60 118.16 113.73 1a81 n LYS 232 Ca -0.03 -0.09 -0.32 0.00 -0.87 0.00 0.00 58.31 57.01 1a81 n LYS 232 Cb 0.66 -1.45 -0.16 0.00 0.02 0.00 0.00 35.03 34.10 1a81 n LYS 232 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1a81 s LYS 233 N -2.89 2.42 0.11 1.64 1.02 -1.26 -4.33 119.74 116.44 1a81 s LYS 233 Ca 0.49 -0.88 0.09 0.00 0.02 0.00 0.00 55.97 55.68 1a81 s LYS 233 Cb -0.15 -2.16 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 1a81 s LYS 233 CO 0.72 0.47 -0.22 -0.06 -0.92 0.00 0.00 175.35 175.34 1a81 s PHE 234 N -0.37 1.91 0.05 3.18 0.40 0.85 -4.82 117.98 119.17 1a81 s PHE 234 Ca 0.03 -0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 55.76 1a81 s PHE 234 Cb -0.12 -1.04 -0.14 0.00 0.51 0.00 0.00 43.02 42.22 1a81 s PHE 234 CO 0.02 0.23 1.32 -0.44 0.70 0.00 0.00 175.22 177.05 1a81 h ASP 235 N 4.04 0.48 -3.18 1.36 5.19 -1.81 -2.54 116.42 119.97 1a81 h ASP 235 Ca -0.47 -0.52 -0.12 0.00 -0.62 0.00 0.00 57.03 55.30 1a81 h ASP 235 Cb 1.18 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 1a81 h ASP 235 CO 0.39 0.91 -0.09 0.35 -3.12 0.00 0.00 179.24 177.69 1a81 n THR 236 N -4.44 0.00 -0.12 0.35 -2.24 -1.26 -4.61 114.28 101.96 1a81 n THR 236 Ca -0.06 -0.46 -0.25 0.00 -2.27 0.00 0.00 64.05 61.01 1a81 n THR 236 Cb 0.43 0.13 -0.11 0.00 -2.10 0.00 0.00 70.33 68.68 1a81 n THR 236 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1a81 n LEU 237 N 0.00 2.23 -0.34 3.22 4.77 -1.26 -2.45 117.00 123.17 1a81 n LEU 237 Ca -0.03 0.24 0.10 0.00 -0.03 0.00 0.00 56.01 56.29 1a81 n LEU 237 Cb 0.12 -0.90 0.21 0.00 -2.33 0.00 0.00 43.42 40.53 1a81 n LEU 237 CO 0.06 0.63 0.74 4.11 -1.33 0.00 0.00 177.39 181.60 1a81 h TRP 238 N -0.68 -0.27 0.03 -1.77 5.08 -1.98 1.58 115.95 117.95 1a81 h TRP 238 Ca -0.58 0.08 -0.00 0.00 1.08 0.00 0.00 58.89 59.47 1a81 h TRP 238 Cb 1.66 0.27 0.00 0.00 -3.00 0.00 0.00 29.16 28.09 1a81 h TRP 238 CO -0.01 -0.42 -0.02 1.96 -1.28 0.00 0.00 178.44 178.67 1a81 h GLN 239 N 0.01 -0.04 -0.49 0.12 4.20 -1.90 -1.54 115.11 115.46 1a81 h GLN 239 Ca 0.53 0.00 0.09 0.00 0.06 0.00 0.00 58.65 59.34 1a81 h GLN 239 Cb 0.98 0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.69 1a81 h GLN 239 CO -0.96 -0.00 0.03 1.25 -0.67 0.00 0.00 178.83 178.48 1a81 h LEU 240 N -0.07 -0.15 0.31 1.46 6.46 0.22 -1.84 115.31 121.70 1a81 h LEU 240 Ca -0.00 0.11 -0.02 0.00 -0.12 0.00 0.00 57.88 57.85 1a81 h LEU 240 Cb 0.06 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1a81 h LEU 240 CO 0.01 -0.04 -0.15 0.58 -0.62 0.00 0.00 178.44 178.21 1a81 h VAL 241 N 0.15 0.00 -1.24 1.05 2.07 0.81 -2.09 116.25 117.00 1a81 h VAL 241 Ca 0.25 -0.07 0.41 0.00 0.82 0.00 0.00 66.70 68.11 1a81 h VAL 241 Cb 0.37 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.03 1a81 h VAL 241 CO -0.39 0.00 0.82 1.21 0.02 0.00 0.00 177.57 179.23 1a81 n GLU 242 N -3.32 -0.02 0.00 1.57 0.00 -0.59 0.15 120.64 118.42 1a81 n GLU 242 Ca -0.05 1.02 0.00 0.00 0.00 0.00 0.00 57.16 58.13 1a81 n GLU 242 Cb 0.16 -2.07 0.00 0.00 0.00 0.00 0.00 31.44 29.54 1a81 n GLU 242 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1a81 n HIS 243 N -4.23 0.00 0.08 4.31 -0.00 -0.70 -3.67 115.22 111.00 1a81 n HIS 243 Ca 0.34 0.00 0.21 0.00 0.46 0.00 0.00 57.72 58.73 1a81 n HIS 243 Cb 1.37 -0.22 0.73 0.00 -0.12 0.00 0.00 29.99 31.75 1a81 n HIS 243 CO 0.00 0.00 0.00 1.88 0.46 0.00 0.00 176.34 178.68 1a81 h TYR 244 N 0.00 0.00 0.00 1.57 0.05 -0.51 2.53 116.97 120.61 1a81 h TYR 244 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1a81 h TYR 244 Cb 0.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.74 1a81 h TYR 244 CO 0.04 0.00 0.00 0.45 -1.05 0.00 0.00 178.16 177.60 1a81 n SER 245 N -3.66 0.00 0.00 3.88 2.88 0.40 -2.70 113.62 114.42 1a81 n SER 245 Ca 0.08 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.34 1a81 n SER 245 Cb 0.68 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.14 1a81 n SER 245 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a81 n TYR 246 N -0.66 0.00 -3.81 0.66 4.19 0.84 -4.69 117.16 113.68 1a81 n TYR 246 Ca 0.06 0.00 -0.13 0.00 3.31 0.00 0.00 57.90 61.14 1a81 n TYR 246 Cb 0.03 0.00 -0.14 0.00 0.49 0.00 0.00 39.34 39.72 1a81 n TYR 246 CO 0.00 0.00 0.00 0.21 0.91 0.00 0.00 176.86 177.98 1a81 s LYS 247 N -1.54 0.05 0.18 2.98 2.20 -0.57 -5.03 119.74 118.01 1a81 s LYS 247 Ca 0.00 0.16 -0.13 0.00 -0.36 0.00 0.00 55.97 55.64 1a81 s LYS 247 Cb 0.00 -0.07 0.16 0.00 -1.51 0.00 0.00 37.83 36.41 1a81 s LYS 247 CO 0.00 -0.07 1.76 0.00 -0.36 0.00 0.00 175.35 176.68 1a81 h ALA 248 N 6.55 0.64 -6.77 3.13 0.00 -1.81 -3.36 119.26 117.64 1a81 h ALA 248 Ca -0.33 0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.08 1a81 h ALA 248 Cb 1.17 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.76 1a81 h ALA 248 CO 0.46 -0.16 -0.86 -3.47 0.00 0.00 0.00 179.25 175.22 1a81 n ASP 249 N -4.95 -2.28 0.00 0.00 2.03 -1.26 -1.08 116.55 109.01 1a81 n ASP 249 Ca 0.05 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.31 1a81 n ASP 249 Cb 0.18 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.95 1a81 n ASP 249 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1a81 n GLY 250 N -1.57 1.86 3.57 0.27 0.00 -1.26 -4.93 105.19 103.13 1a81 n GLY 250 Ca -0.03 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 1a81 n GLY 250 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1a81 s LEU 251 N 0.00 1.32 0.00 0.99 1.43 -0.24 -4.87 118.68 117.31 1a81 s LEU 251 Ca 0.00 1.51 0.28 0.00 -1.03 0.00 0.00 54.13 54.89 1a81 s LEU 251 Cb 0.00 -3.57 1.23 0.00 0.03 0.00 0.00 46.19 43.89 1a81 s LEU 251 CO 0.00 -3.74 1.91 0.18 0.23 0.00 0.00 176.35 174.93 1a81 n LEU 252 N -4.61 0.00 -3.82 1.79 7.99 -1.26 -4.87 117.00 112.23 1a81 n LEU 252 Ca 0.05 0.46 -0.05 0.00 -0.01 0.00 0.00 56.01 56.46 1a81 n LEU 252 Cb 0.55 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.40 1a81 n LEU 252 CO 0.56 -0.02 0.67 -0.60 -1.51 0.00 0.00 177.39 176.50 1a81 s ARG 253 N -2.93 1.53 -0.13 3.23 3.52 -1.26 -5.11 118.95 117.80 1a81 s ARG 253 Ca 0.16 -0.92 -0.07 0.00 -0.13 0.00 0.00 55.73 54.77 1a81 s ARG 253 Cb 0.18 0.47 -0.04 0.00 -1.56 0.00 0.00 34.95 34.00 1a81 s ARG 253 CO 0.50 -0.71 0.13 0.54 -0.81 0.00 0.00 175.30 174.95 1a81 s VAL 254 N -2.88 5.46 0.42 7.11 0.11 -1.26 -4.59 120.40 124.77 1a81 s VAL 254 Ca 0.15 0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 59.18 1a81 s VAL 254 Cb -0.03 -3.39 -0.13 0.00 -1.53 0.00 0.00 36.38 31.29 1a81 s VAL 254 CO 0.06 0.59 0.45 0.18 -3.33 0.00 0.00 175.10 173.05 1a81 n LEU 255 N 2.23 -0.58 0.00 2.54 4.77 -1.10 -4.74 117.00 120.13 1a81 n LEU 255 Ca -0.19 0.88 0.00 0.00 -0.03 0.00 0.00 56.01 56.67 1a81 n LEU 255 Cb 0.54 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1a81 n LEU 255 CO 0.32 -3.16 0.00 0.35 -1.33 0.00 0.00 177.39 173.57 1a81 n THR 256 N -0.93 0.00 -4.85 -5.08 -2.24 -0.35 -4.63 114.28 96.20 1a81 n THR 256 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.60 1a81 n THR 256 Cb 0.40 -0.18 -0.15 0.00 -2.10 0.00 0.00 70.33 68.30 1a81 n THR 256 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1a81 s VAL 257 N 0.00 2.02 -0.46 2.28 -7.23 -1.23 -4.96 120.40 110.81 1a81 s VAL 257 Ca 0.00 -1.33 -0.27 0.00 -1.81 0.00 0.00 61.98 58.57 1a81 s VAL 257 Cb 0.00 -1.73 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 1a81 s VAL 257 CO 0.00 0.33 2.23 -2.16 -0.31 0.00 0.00 175.10 175.19 1a81 s PRO 258 N -1.21 2.45 0.60 4.82 0.04 -1.26 -0.70 135.00 139.75 1a81 s PRO 258 Ca 0.11 1.35 -0.18 0.00 0.04 0.00 0.00 61.00 62.32 1a81 s PRO 258 Cb -0.10 -4.49 -0.07 0.00 0.04 0.00 0.00 34.50 29.89 1a81 s PRO 258 CO 0.02 -2.89 0.63 0.00 0.04 0.00 0.00 177.00 174.80 1a81 s GLN 260 N -2.33 3.98 -0.06 0.00 -1.52 -1.26 -4.58 119.66 113.88 1a81 s GLN 260 Ca 0.70 1.64 -0.02 0.00 -1.95 0.00 0.00 55.36 55.73 1a81 s GLN 260 Cb -0.43 -2.48 -0.04 0.00 -0.22 0.00 0.00 33.01 29.85 1a81 s GLN 260 CO 0.53 -0.33 0.05 -1.59 -0.25 0.00 0.00 175.29 173.69 1a81 s LYS 261 N -2.59 3.06 0.00 2.91 -2.85 -1.26 -4.92 119.74 114.08 1a81 s LYS 261 Ca 0.60 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1a81 s LYS 261 Cb -0.25 -2.86 0.00 0.00 -2.06 0.00 0.00 37.83 32.66 1a81 s LYS 261 CO 0.31 0.69 0.28 -0.89 0.10 0.00 0.00 175.35 175.85