#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hma s ASN 6 N 0.00 7.17 -0.27 4.52 0.02 -1.26 -4.92 114.94 120.19 3hma s ASN 6 Ca 0.00 2.31 -0.01 0.00 -1.02 0.00 0.00 52.86 54.14 3hma s ASN 6 Cb 0.00 -2.63 0.04 0.00 0.02 0.00 0.00 41.25 38.68 3hma s ASN 6 CO 0.00 -0.24 -0.04 -0.63 0.02 0.00 0.00 177.10 176.21 3hma s ILE 7 N -0.91 2.89 -0.26 0.60 1.01 -1.26 -1.69 121.20 121.58 3hma s ILE 7 Ca 0.47 -1.22 -0.13 0.00 0.00 0.00 0.00 60.65 59.77 3hma s ILE 7 Cb -0.33 -2.57 -0.04 0.00 0.01 0.00 0.00 42.46 39.53 3hma s ILE 7 CO 0.42 0.05 0.26 -0.63 0.00 0.00 0.00 174.94 175.04 3hma s ILE 8 N 1.28 5.27 -0.14 2.92 1.01 0.65 -4.95 121.20 127.23 3hma s ILE 8 Ca -0.03 0.36 -0.20 0.00 0.00 0.00 0.00 60.65 60.78 3hma s ILE 8 Cb -0.18 -3.60 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3hma s ILE 8 CO -0.03 0.25 0.58 -1.10 0.00 0.00 0.00 174.94 174.64 3hma s GLN 9 N 1.61 4.31 -0.43 2.79 -0.21 -1.26 -1.36 119.66 125.11 3hma s GLN 9 Ca 0.11 0.60 0.07 0.00 0.02 0.00 0.00 55.36 56.17 3hma s GLN 9 Cb -0.15 -3.50 0.26 0.00 1.00 0.00 0.00 33.01 30.62 3hma s GLN 9 CO 0.09 -0.02 0.73 -3.47 -2.12 0.00 0.00 175.29 170.49 3hma n ASP 10 N 4.24 -1.20 -4.63 5.90 2.03 -0.58 -4.94 116.55 117.36 3hma n ASP 10 Ca -0.04 -3.04 -0.38 0.00 0.52 0.00 0.00 54.79 51.86 3hma n ASP 10 Cb 0.51 0.54 0.05 0.00 -0.72 0.00 0.00 41.12 41.50 3hma n ASP 10 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3hma n PHE 11 N 1.35 1.05 -2.44 -0.67 0.99 -1.24 -4.54 117.46 111.95 3hma n PHE 11 Ca 0.15 0.44 -0.40 0.00 -0.00 0.00 0.00 57.45 57.65 3hma n PHE 11 Cb 0.59 -2.17 -0.04 0.00 -1.00 0.00 0.00 39.48 36.86 3hma n PHE 11 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3hma s ILE 12 N -1.47 3.43 0.35 4.37 1.01 -0.15 -4.96 121.20 123.79 3hma s ILE 12 Ca 0.75 1.37 -0.27 0.00 0.00 0.00 0.00 60.65 62.49 3hma s ILE 12 Cb -0.43 -3.84 -0.12 0.00 0.01 0.00 0.00 42.46 38.09 3hma s ILE 12 CO 0.48 0.27 1.27 -2.65 0.00 0.00 0.00 174.94 174.30 3hma n PRO 13 N 0.87 2.04 -1.85 2.79 -0.02 -1.26 -4.92 135.00 132.64 3hma n PRO 13 Ca 0.00 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.79 3hma n PRO 13 Cb 0.45 -2.31 -0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3hma n PRO 13 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hma s VAL 14 N -1.12 2.15 0.00 -1.45 1.01 -1.26 -2.22 120.40 117.52 3hma s VAL 14 Ca 0.57 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.70 3hma s VAL 14 Cb -0.56 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3hma s VAL 14 CO 0.61 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3hma n GLY 15 N 0.51 1.98 3.73 4.51 0.00 -1.26 -5.03 105.19 109.62 3hma n GLY 15 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 3hma n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hma s ALA 16 N -2.73 2.19 0.35 4.61 0.00 -0.94 -4.90 121.76 120.34 3hma s ALA 16 Ca 0.00 0.90 0.04 0.00 0.00 0.00 0.00 51.96 52.90 3hma s ALA 16 Cb 0.00 -3.47 0.69 0.00 0.00 0.00 0.00 23.12 20.34 3hma s ALA 16 CO 0.00 -1.76 1.97 -0.91 0.00 0.00 0.00 175.76 175.06 3hma h ASN 17 N -0.12 0.71 -0.43 0.00 -0.26 -1.83 -1.20 115.58 112.45 3hma h ASN 17 Ca -0.48 -0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.20 3hma h ASN 17 Cb 1.30 -0.16 -0.03 0.00 -1.06 0.00 0.00 38.32 38.36 3hma h ASN 17 CO 0.51 0.48 0.07 -0.46 -1.06 0.00 0.00 177.43 176.96 3hma n ASN 18 N -4.46 4.07 -3.50 5.81 2.04 -1.24 -4.37 115.26 113.60 3hma n ASN 18 Ca 0.09 -2.70 -0.27 0.00 -0.44 0.00 0.00 54.58 51.27 3hma n ASN 18 Cb 0.16 -0.64 -0.09 0.00 -2.53 0.00 0.00 39.78 36.67 3hma n ASN 18 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 3hma n ARG 19 N 0.25 1.60 -0.28 -3.83 0.63 -0.45 -4.54 116.66 110.05 3hma n ARG 19 Ca 0.22 -4.10 0.08 0.00 -0.92 0.00 0.00 57.85 53.14 3hma n ARG 19 Cb 0.95 -1.96 0.21 0.00 0.45 0.00 0.00 32.46 32.11 3hma n ARG 19 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 3hma h PRO 20 N 4.70 0.14 0.00 -0.14 0.11 -1.77 -3.40 132.00 131.64 3hma h PRO 20 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3hma h PRO 20 Cb 0.77 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3hma h PRO 20 CO 0.66 0.09 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 3hma n GLY 21 N -1.41 0.43 3.73 -0.55 0.00 -1.26 -5.01 105.19 101.13 3hma n GLY 21 Ca 0.17 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 3hma n GLY 21 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hma s TYR 22 N -2.00 3.56 0.43 1.61 2.02 -1.26 -4.87 117.35 116.84 3hma s TYR 22 Ca 0.00 1.55 -0.25 0.00 -0.37 0.00 0.00 57.07 58.00 3hma s TYR 22 Cb 0.00 -3.30 -0.09 0.00 -0.40 0.00 0.00 41.96 38.17 3hma s TYR 22 CO 0.00 -0.71 1.35 0.00 -1.57 0.00 0.00 175.55 174.61 3hma n ALA 23 N 2.61 1.65 -3.14 3.71 0.00 -1.26 -1.70 120.51 122.38 3hma n ALA 23 Ca 0.04 0.26 -0.13 0.00 0.00 0.00 0.00 53.44 53.61 3hma n ALA 23 Cb 0.46 -2.33 -0.14 0.00 0.00 0.00 0.00 19.45 17.45 3hma n ALA 23 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3hma s MET 24 N -2.32 0.07 -0.50 0.00 1.75 0.39 -4.73 119.30 113.96 3hma s MET 24 Ca 0.61 0.14 0.04 0.00 -1.25 0.00 0.00 55.69 55.23 3hma s MET 24 Cb -0.48 -0.02 0.13 0.00 2.84 0.00 0.00 34.83 37.30 3hma s MET 24 CO 0.58 -0.05 0.25 0.99 -0.65 0.00 0.00 175.02 176.14 3hma s THR 25 N 0.30 2.42 -0.02 10.11 2.01 -1.26 -4.50 115.64 124.70 3hma s THR 25 Ca -0.02 -3.18 -0.34 0.00 0.31 0.00 0.00 61.69 58.45 3hma s THR 25 Cb -0.03 -2.68 -0.13 0.00 0.01 0.00 0.00 72.50 69.67 3hma s THR 25 CO -0.01 -0.80 1.77 -0.81 -0.69 0.00 0.00 174.62 174.07 3hma n PRO 26 N 3.21 2.09 -0.00 4.92 -0.04 -1.26 -4.87 135.00 139.05 3hma n PRO 26 Ca 0.05 0.76 0.03 0.00 -0.04 0.00 0.00 63.50 64.31 3hma n PRO 26 Cb 0.33 -2.57 -0.04 0.00 -0.04 0.00 0.00 33.50 31.17 3hma n PRO 26 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3hma n LEU 27 N 5.50 0.33 -4.20 1.53 4.77 -0.12 -4.91 117.00 119.91 3hma n LEU 27 Ca 0.21 -0.49 -0.12 0.00 -0.03 0.00 0.00 56.01 55.58 3hma n LEU 27 Cb 0.28 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.27 3hma n LEU 27 CO 0.70 0.08 -0.27 -0.31 -1.33 0.00 0.00 177.39 176.26 3hma s TYR 28 N -1.69 1.11 -0.08 -1.77 2.02 -0.84 -4.77 117.35 111.33 3hma s TYR 28 Ca 0.03 -1.25 -0.01 0.00 -0.37 0.00 0.00 57.07 55.47 3hma s TYR 28 Cb 0.05 -0.59 0.03 0.00 -0.40 0.00 0.00 41.96 41.04 3hma s TYR 28 CO 0.29 -0.50 -0.03 0.42 -1.57 0.00 0.00 175.55 174.16 3hma s ILE 29 N -4.00 0.62 -0.20 2.71 1.01 -0.71 -1.33 121.20 119.30 3hma s ILE 29 Ca 0.31 -0.06 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 3hma s ILE 29 Cb 0.07 -0.70 -0.03 0.00 0.01 0.00 0.00 42.46 41.81 3hma s ILE 29 CO 0.07 0.29 0.04 -0.89 0.00 0.00 0.00 174.94 174.45 3hma s THR 30 N 1.68 4.37 -0.13 2.92 2.01 -0.11 -0.66 115.64 125.72 3hma s THR 30 Ca 0.02 -0.17 -0.09 0.00 0.31 0.00 0.00 61.69 61.75 3hma s THR 30 Cb -0.13 -2.98 -0.04 0.00 0.01 0.00 0.00 72.50 69.36 3hma s THR 30 CO -0.05 0.43 0.18 -0.69 -0.69 0.00 0.00 174.62 173.80 3hma s VAL 31 N 0.79 5.42 0.21 3.82 1.01 -0.24 -0.92 120.40 130.48 3hma s VAL 31 Ca 0.02 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.34 3hma s VAL 31 Cb -0.14 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 3hma s VAL 31 CO 0.02 0.55 -0.04 -1.00 0.00 0.00 0.00 175.10 174.64 3hma s HIS 32 N -0.57 1.49 -0.08 5.22 3.76 0.12 -1.96 115.29 123.27 3hma s HIS 32 Ca 0.14 -0.86 0.02 0.00 -0.15 0.00 0.00 55.06 54.21 3hma s HIS 32 Cb -0.12 -0.83 0.01 0.00 1.11 0.00 0.00 32.58 32.75 3hma s HIS 32 CO 0.03 0.01 -0.13 -0.80 -0.85 0.00 0.00 174.74 173.01 3hma s ASN 33 N -3.27 1.99 0.66 1.40 -0.87 -1.26 -1.61 114.94 111.97 3hma s ASN 33 Ca 0.25 -0.33 0.43 0.00 -1.57 0.00 0.00 52.86 51.63 3hma s ASN 33 Cb 0.05 -0.90 2.35 0.00 -0.02 0.00 0.00 41.25 42.73 3hma s ASN 33 CO 0.06 0.02 2.35 0.71 -2.57 0.00 0.00 177.10 177.68 3hma h THR 34 N 5.97 0.07 -4.00 1.60 1.35 -1.77 -3.45 112.91 112.67 3hma h THR 34 Ca -0.30 0.00 -0.33 0.00 -0.55 0.00 0.00 66.41 65.23 3hma h THR 34 Cb 1.18 0.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3hma h THR 34 CO 0.47 0.00 -0.44 0.00 -0.25 0.00 0.00 175.52 175.30 3hma n ALA 35 N -2.11 -0.82 -3.96 6.62 0.00 -1.26 -4.93 120.51 114.05 3hma n ALA 35 Ca -0.03 0.14 -0.31 0.00 0.00 0.00 0.00 53.44 53.24 3hma n ALA 35 Cb 0.08 -2.19 -0.15 0.00 0.00 0.00 0.00 19.45 17.19 3hma n ALA 35 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3hma s ASN 36 N -2.24 4.51 0.00 0.00 3.84 -1.26 -4.96 114.94 114.83 3hma s ASN 36 Ca 0.11 -2.44 0.29 0.00 0.21 0.00 0.00 52.86 51.02 3hma s ASN 36 Cb -0.05 -1.55 1.19 0.00 -0.55 0.00 0.00 41.25 40.28 3hma s ASN 36 CO 0.13 -0.33 1.83 0.35 -2.79 0.00 0.00 177.10 176.29 3hma n THR 37 N 3.86 0.00 -1.70 -5.21 -2.24 -1.26 -3.02 114.28 104.71 3hma n THR 37 Ca 0.04 -0.13 -0.43 0.00 -2.27 0.00 0.00 64.05 61.27 3hma n THR 37 Cb 0.38 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.73 3hma n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3hma n ALA 38 N -0.53 1.44 -1.75 6.98 0.00 -1.26 -1.21 120.51 124.18 3hma n ALA 38 Ca 0.17 0.37 -0.42 0.00 0.00 0.00 0.00 53.44 53.57 3hma n ALA 38 Cb 0.29 -2.29 -0.02 0.00 0.00 0.00 0.00 19.45 17.43 3hma n ALA 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hma s VAL 39 N -0.77 2.05 0.00 0.00 0.11 -1.26 -1.90 120.40 118.64 3hma s VAL 39 Ca 0.59 0.04 0.00 0.00 -2.93 0.00 0.00 61.98 59.68 3hma s VAL 39 Cb -0.57 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.25 3hma s VAL 39 CO 0.58 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.97 3hma n GLY 40 N 3.07 0.99 2.39 6.54 0.00 -1.26 -4.93 105.19 112.00 3hma n GLY 40 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3hma n GLY 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hma n ALA 41 N -0.98 7.21 -2.73 4.61 0.00 -0.80 -4.67 120.51 123.14 3hma n ALA 41 Ca 0.00 -3.74 -0.12 0.00 0.00 0.00 0.00 53.44 49.59 3hma n ALA 41 Cb 0.00 -3.19 0.05 0.00 0.00 0.00 0.00 19.45 16.31 3hma n ALA 41 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hma n ASP 42 N 3.11 0.85 -0.08 0.00 3.85 -1.26 -4.16 116.55 118.86 3hma n ASP 42 Ca 0.72 -1.66 -0.07 0.00 -0.71 0.00 0.00 54.79 53.07 3hma n ASP 42 Cb 0.24 -0.26 0.00 0.00 -1.35 0.00 0.00 41.12 39.76 3hma n ASP 42 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hma h ALA 43 N -0.09 0.28 -0.74 2.12 0.00 -1.87 -1.62 119.26 117.34 3hma h ALA 43 Ca -0.15 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3hma h ALA 43 Cb 0.60 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hma h ALA 43 CO 0.18 -0.39 0.43 0.00 0.00 0.00 0.00 179.25 179.47 3hma h ALA 44 N 1.25 1.37 -0.58 0.00 0.00 -1.94 0.26 119.26 119.61 3hma h ALA 44 Ca 0.14 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 3hma h ALA 44 Cb 0.18 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hma h ALA 44 CO -0.22 0.53 -0.00 0.00 0.00 0.00 0.00 179.25 179.56 3hma h ALA 45 N 1.46 0.78 -0.56 0.00 0.00 -1.72 -1.84 119.26 117.38 3hma h ALA 45 Ca 0.26 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3hma h ALA 45 Cb -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hma h ALA 45 CO -0.05 0.62 0.08 0.45 0.00 0.00 0.00 179.25 180.35 3hma h HIS 46 N 0.92 1.00 -0.99 0.00 3.86 -0.67 -1.35 115.15 117.92 3hma h HIS 46 Ca 0.16 -0.14 0.12 0.00 -1.16 0.00 0.00 60.37 59.35 3hma h HIS 46 Cb 0.55 -0.27 -0.08 0.00 1.06 0.00 0.00 27.41 28.67 3hma h HIS 46 CO 0.04 0.88 0.63 0.00 0.86 0.00 0.00 177.93 180.34 3hma h ALA 47 N 0.99 1.55 -0.12 2.45 0.00 -0.66 -0.38 119.26 123.09 3hma h ALA 47 Ca 0.17 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3hma h ALA 47 Cb 0.43 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3hma h ALA 47 CO 0.01 0.21 -0.27 -0.09 0.00 0.00 0.00 179.25 179.11 3hma h ARG 48 N 0.97 0.39 -0.55 0.00 2.43 -0.98 -3.25 114.38 113.39 3hma h ARG 48 Ca 0.49 -0.26 0.06 0.00 -0.81 0.00 0.00 59.98 59.45 3hma h ARG 48 Cb 0.49 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 30.03 3hma h ARG 48 CO -0.25 0.87 0.25 -0.92 -1.51 0.00 0.00 179.97 178.41 3hma h TYR 49 N -0.04 0.46 -0.01 2.20 3.20 -0.50 -2.34 116.97 119.93 3hma h TYR 49 Ca -0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hma h TYR 49 Cb 0.88 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 3hma h TYR 49 CO 0.11 0.19 0.01 -0.07 -1.64 0.00 0.00 178.16 176.76 3hma h LEU 50 N 0.48 0.00 -0.02 2.82 3.38 -1.15 -1.89 115.31 118.93 3hma h LEU 50 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3hma h LEU 50 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3hma h LEU 50 CO -0.21 0.00 -0.01 0.29 0.09 0.00 0.00 178.44 178.61 3hma n LYS 51 N -3.89 0.67 -2.24 1.13 5.02 -0.88 -4.81 118.16 113.16 3hma n LYS 51 Ca -0.03 -0.02 -0.42 0.00 -2.02 0.00 0.00 58.31 55.82 3hma n LYS 51 Cb 0.10 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 3hma n LYS 51 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3hma s ASN 52 N -2.35 6.86 0.66 4.39 0.02 -0.71 -4.89 114.94 118.92 3hma s ASN 52 Ca 0.36 2.08 0.23 0.00 -1.02 0.00 0.00 52.86 54.51 3hma s ASN 52 Cb 0.21 -2.56 1.26 0.00 0.02 0.00 0.00 41.25 40.18 3hma s ASN 52 CO 0.43 -0.72 1.71 -0.65 0.02 0.00 0.00 177.10 177.88 3hma h PRO 53 N 7.92 0.00 -0.01 -0.60 0.11 -1.90 -1.33 132.00 136.19 3hma h PRO 53 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3hma h PRO 53 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hma h PRO 53 CO 0.91 0.00 -0.43 -0.40 -0.21 0.00 0.00 178.00 177.87 3hma n ASP 54 N -2.82 1.28 -4.77 -2.05 5.68 -1.26 -4.62 116.55 107.98 3hma n ASP 54 Ca -0.01 -1.02 -0.38 0.00 -0.50 0.00 0.00 54.79 52.88 3hma n ASP 54 Cb 0.53 0.34 -0.03 0.00 -1.14 0.00 0.00 41.12 40.83 3hma n ASP 54 CO 0.00 0.00 0.00 0.42 -1.33 0.00 0.00 177.20 176.29 3hma s THR 55 N -2.60 3.35 -0.03 2.12 -4.23 -0.50 -4.96 115.64 108.79 3hma s THR 55 Ca 0.19 1.09 0.04 0.00 -1.18 0.00 0.00 61.69 61.84 3hma s THR 55 Cb 0.18 -3.59 -0.07 0.00 1.34 0.00 0.00 72.50 70.37 3hma s THR 55 CO 0.59 0.06 0.11 0.35 -0.54 0.00 0.00 174.62 175.19 3hma n THR 56 N -0.01 0.00 -3.92 3.99 -2.24 -1.26 -3.59 114.28 107.24 3hma n THR 56 Ca 0.05 -0.13 -0.32 0.00 -2.27 0.00 0.00 64.05 61.37 3hma n THR 56 Cb 0.48 0.46 -0.04 0.00 -2.10 0.00 0.00 70.33 69.13 3hma n THR 56 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3hma s THR 57 N -2.21 5.37 -0.06 4.28 -4.23 -1.26 -4.57 115.64 112.96 3hma s THR 57 Ca -0.01 -0.30 -0.24 0.00 -1.18 0.00 0.00 61.69 59.96 3hma s THR 57 Cb 0.03 -3.57 0.05 0.00 1.34 0.00 0.00 72.50 70.35 3hma s THR 57 CO 0.18 0.22 0.54 -0.94 -0.54 0.00 0.00 174.62 174.09 3hma s SER 58 N -2.24 -0.49 0.20 3.99 1.04 -0.20 -4.91 113.70 111.09 3hma s SER 58 Ca 0.31 0.58 -0.02 0.00 0.48 0.00 0.00 55.95 57.30 3hma s SER 58 Cb -0.13 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3hma s SER 58 CO 0.24 -0.49 0.16 -1.66 0.98 0.00 0.00 173.24 172.47 3hma s TRP 59 N -1.00 1.05 -0.02 5.02 -2.14 -1.26 -1.94 118.94 118.65 3hma s TRP 59 Ca -0.10 -1.29 -0.19 0.00 2.66 0.00 0.00 56.10 57.17 3hma s TRP 59 Cb -0.02 -0.47 -0.33 0.00 -3.10 0.00 0.00 33.47 29.54 3hma s TRP 59 CO 0.07 -0.67 0.92 0.45 -2.66 0.00 0.00 176.95 175.06 3hma h HIS 60 N 2.60 0.74 -4.08 1.66 3.86 -1.67 -3.39 115.15 114.87 3hma h HIS 60 Ca -0.35 -0.54 -0.42 0.00 -1.16 0.00 0.00 60.37 57.90 3hma h HIS 60 Cb 1.25 -0.03 -0.29 0.00 1.06 0.00 0.00 27.41 29.40 3hma h HIS 60 CO 0.36 1.44 -0.79 -0.06 0.86 0.00 0.00 177.93 179.74 3hma s PHE 61 N -2.51 0.92 -0.10 2.45 0.08 -0.50 -1.29 117.98 117.04 3hma s PHE 61 Ca -0.12 -0.17 0.03 0.00 0.12 0.00 0.00 56.93 56.79 3hma s PHE 61 Cb 0.02 -0.59 0.01 0.00 -0.57 0.00 0.00 43.02 41.89 3hma s PHE 61 CO 0.88 -0.02 -0.20 0.99 -0.10 0.00 0.00 175.22 176.77 3hma s THR 62 N -0.24 1.83 -0.10 0.64 2.01 -0.43 0.02 115.64 119.37 3hma s THR 62 Ca 0.04 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.21 3hma s THR 62 Cb -0.04 -1.61 -0.00 0.00 0.01 0.00 0.00 72.50 70.86 3hma s THR 62 CO -0.00 0.51 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.51 3hma s VAL 63 N 0.56 2.08 0.28 3.82 1.01 0.10 -1.49 120.40 126.77 3hma s VAL 63 Ca -0.15 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.82 3hma s VAL 63 Cb -0.17 -1.79 -0.00 0.00 0.00 0.00 0.00 36.38 34.42 3hma s VAL 63 CO 0.05 0.56 0.01 -0.90 0.00 0.00 0.00 175.10 174.82 3hma n ASP 64 N 3.52 2.63 0.00 3.32 5.68 -0.88 -0.85 116.55 129.97 3hma n ASP 64 Ca -0.19 -2.25 0.07 0.00 -0.50 0.00 0.00 54.79 51.92 3hma n ASP 64 Cb 0.53 0.24 0.30 0.00 -1.14 0.00 0.00 41.12 41.05 3hma n ASP 64 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3hma n ASP 65 N -1.23 0.00 -0.05 -1.12 5.75 -1.26 -4.00 116.55 114.64 3hma n ASP 65 Ca -0.11 0.46 -0.11 0.00 -0.01 0.00 0.00 54.79 55.02 3hma n ASP 65 Cb 0.36 -0.48 -0.04 0.00 -1.03 0.00 0.00 41.12 39.94 3hma n ASP 65 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 3hma n THR 66 N -1.48 1.12 -4.06 2.12 -1.04 -1.26 -4.70 114.28 104.97 3hma n THR 66 Ca 0.04 0.03 -0.10 0.00 -2.04 0.00 0.00 64.05 61.98 3hma n THR 66 Cb 0.16 -1.86 -0.03 0.00 -1.82 0.00 0.00 70.33 66.77 3hma n THR 66 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3hma n GLU 67 N -3.86 0.25 -4.44 -2.82 0.28 -1.26 -4.71 120.64 104.09 3hma n GLU 67 Ca -0.19 -1.67 -0.20 0.00 -0.16 0.00 0.00 57.16 54.94 3hma n GLU 67 Cb 0.50 1.43 -0.15 0.00 1.43 0.00 0.00 31.44 34.65 3hma n GLU 67 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 3hma s ILE 68 N -2.69 0.87 -0.03 3.84 1.01 -0.68 -2.06 121.20 121.46 3hma s ILE 68 Ca 0.19 -0.54 0.06 0.00 0.00 0.00 0.00 60.65 60.37 3hma s ILE 68 Cb 0.01 -0.74 -0.01 0.00 0.01 0.00 0.00 42.46 41.72 3hma s ILE 68 CO 0.14 0.20 -0.23 -0.31 0.00 0.00 0.00 174.94 174.74 3hma s TYR 69 N -0.35 2.10 -0.19 3.97 1.51 -0.55 -0.26 117.35 123.58 3hma s TYR 69 Ca 0.03 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 55.56 3hma s TYR 69 Cb -0.05 -1.37 -0.02 0.00 -0.11 0.00 0.00 41.96 40.41 3hma s TYR 69 CO -0.00 -0.10 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.16 3hma s GLN 70 N -0.35 3.53 -0.01 -0.62 0.74 -0.46 -1.31 119.66 121.18 3hma s GLN 70 Ca 0.04 -0.57 0.18 0.00 0.05 0.00 0.00 55.36 55.05 3hma s GLN 70 Cb -0.11 -2.98 -0.23 0.00 1.10 0.00 0.00 33.01 30.80 3hma s GLN 70 CO 0.01 0.01 0.63 0.72 -0.55 0.00 0.00 175.29 176.10 3hma n HIS 71 N 4.22 0.00 -3.93 1.67 8.25 -0.41 -1.53 115.22 123.49 3hma n HIS 71 Ca -0.18 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.19 3hma n HIS 71 Cb 0.52 -0.15 -0.10 0.00 1.12 0.00 0.00 29.99 31.37 3hma n HIS 71 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hma s LEU 72 N -3.35 1.90 0.40 2.41 1.02 -1.25 -0.97 118.68 118.83 3hma s LEU 72 Ca 0.02 -0.41 -0.24 0.00 0.02 0.00 0.00 54.13 53.52 3hma s LEU 72 Cb 0.13 0.42 -0.09 0.00 0.02 0.00 0.00 46.19 46.67 3hma s LEU 72 CO 0.74 -0.38 1.04 -2.16 0.02 0.00 0.00 176.35 175.61 3hma s PRO 73 N -1.73 4.16 0.00 1.29 0.04 -1.26 -4.88 135.00 132.61 3hma s PRO 73 Ca -0.13 1.47 0.11 0.00 0.04 0.00 0.00 61.00 62.50 3hma s PRO 73 Cb -0.07 -2.50 0.61 0.00 0.04 0.00 0.00 34.50 32.59 3hma s PRO 73 CO -0.01 -0.14 1.22 1.28 0.04 0.00 0.00 177.00 179.40 3hma n LEU 74 N -0.14 0.00 -1.04 -3.56 4.77 -1.26 -1.98 117.00 113.79 3hma n LEU 74 Ca 0.05 0.19 0.12 0.00 -0.03 0.00 0.00 56.01 56.34 3hma n LEU 74 Cb 0.50 -0.19 0.22 0.00 -2.33 0.00 0.00 43.42 41.61 3hma n LEU 74 CO 0.44 -0.12 0.70 -0.46 -1.33 0.00 0.00 177.39 176.62 3hma n ASN 75 N -1.19 3.13 -4.38 -1.43 6.94 -1.26 -4.66 115.26 112.41 3hma n ASN 75 Ca 0.06 -1.95 -0.23 0.00 -0.02 0.00 0.00 54.58 52.44 3hma n ASN 75 Cb 0.07 -0.17 -0.11 0.00 -2.36 0.00 0.00 39.78 37.21 3hma n ASN 75 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 3hma s GLU 76 N -1.65 1.40 0.59 -3.83 2.02 -0.84 -0.46 118.70 115.92 3hma s GLU 76 Ca 0.36 -1.50 -0.01 0.00 0.02 0.00 0.00 54.97 53.84 3hma s GLU 76 Cb 0.22 -1.52 0.04 0.00 0.10 0.00 0.00 34.13 32.97 3hma s GLU 76 CO 0.31 0.31 0.83 0.54 0.02 0.00 0.00 175.26 177.27 3hma s ASN 77 N -2.81 5.18 0.28 -0.19 4.22 -0.69 -4.76 114.94 116.18 3hma s ASN 77 Ca 0.19 0.11 0.02 0.00 -2.14 0.00 0.00 52.86 51.05 3hma s ASN 77 Cb -0.06 -0.95 -0.05 0.00 1.28 0.00 0.00 41.25 41.47 3hma s ASN 77 CO 0.09 -1.24 0.09 -0.83 -2.04 0.00 0.00 177.10 173.16 3hma s GLY 78 N -4.44 1.87 -0.43 0.45 0.00 -1.25 -4.46 107.32 99.07 3hma s GLY 78 Ca 0.58 -1.89 -0.06 0.00 0.00 0.00 0.00 44.72 43.35 3hma s GLY 78 CO 0.40 -1.66 0.26 -0.98 0.00 0.00 0.00 173.10 171.12 3hma s TRP 79 N -3.61 3.50 0.00 1.90 0.23 -0.82 -4.70 118.94 115.45 3hma s TRP 79 Ca 0.37 -2.14 0.00 0.00 -2.03 0.00 0.00 56.10 52.30 3hma s TRP 79 Cb 0.08 -3.28 0.00 0.00 0.03 0.00 0.00 33.47 30.30 3hma s TRP 79 CO 0.14 -0.97 0.00 -2.39 0.96 0.00 0.00 176.95 174.70 3hma n HIS 80 N 4.73 0.00 0.23 -1.98 1.44 -1.24 -1.03 115.22 117.37 3hma n HIS 80 Ca -0.05 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 55.77 3hma n HIS 80 Cb 0.41 0.00 0.36 0.00 0.12 0.00 0.00 29.99 30.89 3hma n HIS 80 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 3hma h ALA 81 N 0.00 0.96 -0.56 1.59 0.00 -1.87 -3.47 119.26 115.90 3hma h ALA 81 Ca 0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.63 3hma h ALA 81 Cb 0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3hma h ALA 81 CO 0.00 0.16 -0.16 0.41 0.00 0.00 0.00 179.25 179.66 3hma n GLY 82 N 0.59 0.74 1.33 0.00 0.00 -1.26 -4.19 105.19 102.40 3hma n GLY 82 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 3hma n GLY 82 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hma n ASP 83 N 0.68 3.34 0.00 1.61 5.75 -1.26 -4.82 116.55 121.84 3hma n ASP 83 Ca -0.08 -3.82 0.00 0.00 -0.01 0.00 0.00 54.79 50.88 3hma n ASP 83 Cb 0.34 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3hma n ASP 83 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hma n GLY 84 N -0.97 3.76 1.74 6.12 0.00 -1.26 -1.47 105.19 113.11 3hma n GLY 84 Ca 0.34 0.21 0.05 0.00 0.00 0.00 0.00 46.02 46.62 3hma n GLY 84 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hma n ASN 85 N 9.27 5.25 -3.92 1.61 5.03 -1.26 -4.56 115.26 126.67 3hma n ASN 85 Ca 0.00 -3.02 -0.30 0.00 0.87 0.00 0.00 54.58 52.13 3hma n ASN 85 Cb 0.00 -0.67 0.22 0.00 -1.02 0.00 0.00 39.78 38.30 3hma n ASN 85 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 3hma s GLY 86 N -1.05 1.69 0.66 7.41 0.00 -0.54 -4.57 107.32 110.92 3hma s GLY 86 Ca 0.53 -1.12 0.39 0.00 0.00 0.00 0.00 44.72 44.52 3hma s GLY 86 CO 0.14 -0.27 2.21 1.76 0.00 0.00 0.00 173.10 176.94 3hma h SER 87 N -2.14 0.00 0.31 1.64 0.02 -1.93 0.23 113.55 111.68 3hma h SER 87 Ca -0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.49 3hma h SER 87 Cb 1.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.80 3hma h SER 87 CO 0.34 0.00 -0.15 1.23 -1.14 0.00 0.00 176.83 177.12 3hma h GLY 88 N 0.00 -0.43 1.61 -3.77 0.00 -1.90 -0.49 103.07 98.09 3hma h GLY 88 Ca 0.00 0.16 -0.27 0.00 0.00 0.00 0.00 47.33 47.22 3hma h GLY 88 CO -0.00 -0.16 -1.27 3.43 0.00 0.00 0.00 176.54 178.55 3hma h ASN 89 N -0.77 0.35 0.09 0.19 2.35 -1.70 -3.31 115.58 112.78 3hma h ASN 89 Ca -0.04 -0.39 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 3hma h ASN 89 Cb 0.51 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.76 3hma h ASN 89 CO 0.07 1.31 -0.66 0.54 -1.65 0.00 0.00 177.43 177.04 3hma n ARG 90 N -3.48 0.52 -1.62 0.81 5.12 0.03 -3.74 116.66 114.30 3hma n ARG 90 Ca -0.09 -0.41 0.02 0.00 -1.93 0.00 0.00 57.85 55.44 3hma n ARG 90 Cb 1.02 -1.49 0.01 0.00 -1.16 0.00 0.00 32.46 30.84 3hma n ARG 90 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3hma n ALA 91 N -0.88 2.60 -2.85 7.54 0.00 -0.21 -4.61 120.51 122.09 3hma n ALA 91 Ca 0.07 -2.14 -0.10 0.00 0.00 0.00 0.00 53.44 51.27 3hma n ALA 91 Cb 0.38 -0.70 -0.09 0.00 0.00 0.00 0.00 19.45 19.04 3hma n ALA 91 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3hma s SER 92 N -2.06 0.07 -0.25 0.00 1.04 -1.09 -0.94 113.70 110.47 3hma s SER 92 Ca 0.28 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.16 3hma s SER 92 Cb 0.33 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 3hma s SER 92 CO -0.13 -0.52 0.39 -0.63 0.98 0.00 0.00 173.24 173.33 3hma s ILE 93 N -2.45 5.17 -0.11 -1.02 1.01 -0.44 -4.78 121.20 118.58 3hma s ILE 93 Ca -0.06 0.64 -0.21 0.00 0.00 0.00 0.00 60.65 61.02 3hma s ILE 93 Cb -0.02 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 3hma s ILE 93 CO -0.03 0.18 0.61 -0.83 0.00 0.00 0.00 174.94 174.87 3hma s GLY 94 N 1.44 2.42 -0.10 6.18 0.00 -1.26 -0.94 107.32 115.06 3hma s GLY 94 Ca 0.17 -0.06 0.03 0.00 0.00 0.00 0.00 44.72 44.86 3hma s GLY 94 CO 0.09 1.08 -0.20 -0.42 0.00 0.00 0.00 173.10 173.66 3hma s ILE 95 N 1.00 1.76 -0.11 0.90 1.01 -0.10 -1.41 121.20 124.25 3hma s ILE 95 Ca 0.32 -0.84 -0.02 0.00 0.00 0.00 0.00 60.65 60.11 3hma s ILE 95 Cb -0.16 -1.55 -0.03 0.00 0.01 0.00 0.00 42.46 40.72 3hma s ILE 95 CO 0.14 0.49 -0.03 -1.61 0.00 0.00 0.00 174.94 173.93 3hma s GLU 96 N 0.56 3.24 -0.18 2.79 0.41 0.10 0.10 118.70 125.73 3hma s GLU 96 Ca -0.15 -0.49 -0.01 0.00 -0.41 0.00 0.00 54.97 53.91 3hma s GLU 96 Cb -0.17 -2.80 -0.00 0.00 -1.78 0.00 0.00 34.13 29.38 3hma s GLU 96 CO 0.05 0.49 -0.11 0.42 -0.49 0.00 0.00 175.26 175.62 3hma s ILE 97 N -0.31 2.94 0.59 -1.63 1.01 -0.63 0.01 121.20 123.18 3hma s ILE 97 Ca 0.05 -0.66 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3hma s ILE 97 Cb -0.12 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.03 3hma s ILE 97 CO 0.02 0.48 1.08 0.00 0.00 0.00 0.00 174.94 176.52 3hma n GLU 99 N -1.89 1.33 -1.63 0.00 1.02 -1.25 -4.81 120.64 113.41 3hma n GLU 99 Ca 0.10 -1.88 -0.45 0.00 -0.02 0.00 0.00 57.16 54.91 3hma n GLU 99 Cb 0.52 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.80 3hma n GLU 99 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3hma n ASN 100 N -0.85 1.99 -0.31 1.62 6.94 -1.17 -4.16 115.26 119.33 3hma n ASN 100 Ca 0.08 1.17 0.07 0.00 -0.02 0.00 0.00 54.58 55.88 3hma n ASN 100 Cb 0.55 -1.35 0.28 0.00 -2.36 0.00 0.00 39.78 36.90 3hma n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hma h ALA 101 N 2.95 1.61 0.00 -2.53 0.00 -1.22 -0.87 119.26 119.20 3hma h ALA 101 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3hma h ALA 101 Cb 1.31 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3hma h ALA 101 CO 0.67 0.19 0.00 -0.40 0.00 0.00 0.00 179.25 179.71 3hma n ASP 102 N -4.55 0.00 -4.55 0.00 3.85 -1.26 -4.82 116.55 105.22 3hma n ASP 102 Ca 0.16 -1.27 -0.26 0.00 -0.71 0.00 0.00 54.79 52.71 3hma n ASP 102 Cb 0.32 0.00 -0.11 0.00 -1.35 0.00 0.00 41.12 39.99 3hma n ASP 102 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3hma s GLY 103 N -1.53 2.25 -0.29 6.12 0.00 -0.33 -5.05 107.32 108.49 3hma s GLY 103 Ca 0.16 -2.14 -0.10 0.00 0.00 0.00 0.00 44.72 42.65 3hma s GLY 103 CO 0.12 -2.03 0.15 -0.35 0.00 0.00 0.00 173.10 170.99 3hma s ASP 104 N -3.62 5.59 0.15 1.64 2.15 -1.26 -4.86 116.67 116.45 3hma s ASP 104 Ca 0.33 -0.33 -0.15 0.00 0.43 0.00 0.00 52.55 52.83 3hma s ASP 104 Cb 0.05 -2.02 0.02 0.00 -0.30 0.00 0.00 42.92 40.67 3hma s ASP 104 CO 0.17 -0.13 1.70 0.15 -0.17 0.00 0.00 175.17 176.88 3hma h PHE 105 N 8.34 0.70 -0.81 -5.34 3.57 -1.90 -1.70 116.94 119.79 3hma h PHE 105 Ca -0.34 -0.05 0.12 0.00 3.53 0.00 0.00 57.97 61.22 3hma h PHE 105 Cb 1.16 -0.21 -0.08 0.00 2.79 0.00 0.00 35.95 39.61 3hma h PHE 105 CO 0.67 0.59 0.43 0.00 -2.23 0.00 0.00 178.31 177.78 3hma h ALA 106 N 1.03 1.18 0.00 2.41 0.00 -1.97 0.19 119.26 122.11 3hma h ALA 106 Ca 0.15 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3hma h ALA 106 Cb 0.19 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3hma h ALA 106 CO -0.01 -0.02 -0.43 -0.22 0.00 0.00 0.00 179.25 178.57 3hma h LYS 107 N 0.68 0.00 0.01 0.00 3.64 -1.87 -1.97 116.57 117.05 3hma h LYS 107 Ca 0.42 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.59 3hma h LYS 107 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3hma h LYS 107 CO -0.30 0.43 -0.92 0.00 -2.27 0.00 0.00 179.45 176.39 3hma h ALA 108 N 1.57 0.44 -0.24 5.00 0.00 -0.20 -2.51 119.26 123.32 3hma h ALA 108 Ca -0.00 -0.73 -0.13 0.00 0.00 0.00 0.00 54.91 54.05 3hma h ALA 108 Cb 1.08 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hma h ALA 108 CO 0.06 0.88 -0.40 1.15 0.00 0.00 0.00 179.25 180.94 3hma h THR 109 N 0.15 1.30 -0.45 0.00 2.02 -0.51 -1.75 112.91 113.68 3hma h THR 109 Ca -0.06 -1.56 -0.06 0.00 0.77 0.00 0.00 66.41 65.49 3hma h THR 109 Cb 1.56 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 3hma h THR 109 CO 0.15 0.49 0.03 0.00 0.37 0.00 0.00 175.52 176.56 3hma h ALA 110 N 1.09 0.60 -0.53 6.16 0.00 -1.28 -1.07 119.26 124.24 3hma h ALA 110 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 3hma h ALA 110 Cb 0.90 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3hma h ALA 110 CO 0.08 0.36 0.04 -0.91 0.00 0.00 0.00 179.25 178.82 3hma h ASN 111 N 0.62 0.83 -0.61 0.00 2.35 -1.32 -2.07 115.58 115.38 3hma h ASN 111 Ca 0.13 -0.19 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3hma h ASN 111 Cb 0.44 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.57 3hma h ASN 111 CO 0.02 0.87 0.08 0.00 -1.65 0.00 0.00 177.43 176.74 3hma h ALA 112 N 1.22 0.81 -0.45 -0.83 0.00 -1.02 -1.37 119.26 117.62 3hma h ALA 112 Ca 0.16 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3hma h ALA 112 Cb 0.43 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3hma h ALA 112 CO 0.02 0.59 0.04 1.96 0.00 0.00 0.00 179.25 181.86 3hma h GLN 113 N 0.93 0.71 0.23 0.00 4.20 -0.84 0.20 115.11 120.54 3hma h GLN 113 Ca 0.18 -0.16 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 3hma h GLN 113 Cb 0.46 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3hma h GLN 113 CO 0.02 0.70 -0.11 2.35 -0.67 0.00 0.00 178.83 181.11 3hma h TRP 114 N 0.68 -0.28 -0.60 2.96 7.01 -1.10 -0.86 115.95 123.76 3hma h TRP 114 Ca 0.14 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.24 3hma h TRP 114 Cb 0.36 0.09 -0.08 0.00 -2.10 0.00 0.00 29.16 27.43 3hma h TRP 114 CO 0.02 -0.02 0.19 1.25 -2.79 0.00 0.00 178.44 177.08 3hma h LEU 115 N -0.52 0.13 -0.76 0.65 5.85 -0.92 -0.58 115.31 119.16 3hma h LEU 115 Ca -0.03 0.09 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3hma h LEU 115 Cb 0.39 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 3hma h LEU 115 CO 0.05 0.08 0.25 0.40 -0.34 0.00 0.00 178.44 178.88 3hma h ILE 116 N 0.34 1.26 -0.53 4.05 2.04 -0.86 0.30 117.51 124.11 3hma h ILE 116 Ca 0.31 -0.89 -0.01 0.00 1.00 0.00 0.00 64.86 65.27 3hma h ILE 116 Cb 0.42 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 36.88 3hma h ILE 116 CO -0.35 0.36 0.31 0.50 0.00 0.00 0.00 178.15 178.97 3hma h LYS 117 N 1.12 0.73 -0.31 2.37 3.64 -0.11 -0.36 116.57 123.66 3hma h LYS 117 Ca 0.25 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 3hma h LYS 117 Cb 0.29 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3hma h LYS 117 CO -0.01 0.55 0.09 1.15 -2.27 0.00 0.00 179.45 178.95 3hma h THR 118 N 0.71 1.21 -0.75 1.00 2.02 -0.76 -2.96 112.91 113.38 3hma h THR 118 Ca 0.19 -0.69 0.02 0.00 0.77 0.00 0.00 66.41 66.70 3hma h THR 118 Cb 0.02 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 3hma h THR 118 CO -0.03 0.23 0.48 -0.07 0.37 0.00 0.00 175.52 176.50 3hma h LEU 119 N 0.33 0.81 -0.87 2.58 4.07 -0.65 -0.39 115.31 121.19 3hma h LEU 119 Ca 0.10 -0.01 0.07 0.00 0.08 0.00 0.00 57.88 58.12 3hma h LEU 119 Cb 0.27 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.76 3hma h LEU 119 CO -0.00 0.57 0.53 0.24 -1.08 0.00 0.00 178.44 178.70 3hma h MET 120 N 0.96 0.92 0.14 1.13 2.86 -0.93 -0.42 114.93 119.58 3hma h MET 120 Ca 0.29 -0.06 -0.30 0.00 -2.06 0.00 0.00 59.70 57.58 3hma h MET 120 Cb -0.03 -0.21 0.03 0.00 0.06 0.00 0.00 31.60 31.45 3hma h MET 120 CO -0.09 0.61 -1.28 0.00 1.06 0.00 0.00 176.91 177.21 3hma h ALA 121 N 1.43 0.00 0.00 6.32 0.00 -1.32 0.14 119.26 125.83 3hma h ALA 121 Ca 0.39 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3hma h ALA 121 Cb 0.23 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hma h ALA 121 CO -0.19 0.73 0.00 0.39 0.00 0.00 0.00 179.25 180.18 3hma n GLU 122 N -3.74 0.23 -0.11 0.00 1.02 -0.19 -3.46 120.64 114.38 3hma n GLU 122 Ca -0.13 0.33 0.02 0.00 -0.02 0.00 0.00 57.16 57.36 3hma n GLU 122 Cb 1.01 -1.85 0.03 0.00 -0.02 0.00 0.00 31.44 30.61 3hma n GLU 122 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3hma n HIS 123 N -2.26 0.00 -3.93 -0.32 8.25 -0.19 -5.03 115.22 111.75 3hma n HIS 123 Ca 0.04 -0.34 -0.34 0.00 -0.26 0.00 0.00 57.72 56.82 3hma n HIS 123 Cb 0.32 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.38 3hma n HIS 123 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3hma n ASN 124 N -0.42 -2.96 -4.45 0.41 5.15 -0.38 -4.94 115.26 107.65 3hma n ASN 124 Ca 0.03 -1.12 -0.33 0.00 -0.60 0.00 0.00 54.58 52.56 3hma n ASN 124 Cb 0.49 -2.66 -0.13 0.00 -0.53 0.00 0.00 39.78 36.95 3hma n ASN 124 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3hma s ILE 125 N -3.72 3.51 0.56 -1.44 1.01 0.36 -5.03 121.20 116.45 3hma s ILE 125 Ca 0.30 -0.50 -0.16 0.00 0.00 0.00 0.00 60.65 60.29 3hma s ILE 125 Cb -0.13 -2.50 -0.06 0.00 0.01 0.00 0.00 42.46 39.78 3hma s ILE 125 CO 0.91 0.52 1.02 -0.94 0.00 0.00 0.00 174.94 176.45 3hma s SER 126 N 0.23 6.21 0.49 3.58 1.04 -1.26 -4.59 113.70 119.40 3hma s SER 126 Ca -0.05 1.68 0.15 0.00 0.48 0.00 0.00 55.95 58.21 3hma s SER 126 Cb -0.15 -2.52 1.17 0.00 0.10 0.00 0.00 66.02 64.62 3hma s SER 126 CO 0.04 -0.87 2.08 0.25 0.98 0.00 0.00 173.24 175.72 3hma h LEU 127 N 0.65 0.16 -1.51 2.42 5.85 -1.97 0.77 115.31 121.66 3hma h LEU 127 Ca -0.47 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3hma h LEU 127 Cb 1.20 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3hma h LEU 127 CO 0.60 0.11 -0.21 0.00 -0.34 0.00 0.00 178.44 178.59 3hma h ALA 128 N 1.85 1.20 -0.35 1.25 0.00 -2.01 -2.53 119.26 118.68 3hma h ALA 128 Ca 0.12 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hma h ALA 128 Cb 0.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hma h ALA 128 CO -0.02 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.58 3hma n ASN 129 N -3.63 2.37 -4.35 0.00 4.13 0.26 -4.63 115.26 109.40 3hma n ASN 129 Ca -0.01 -2.13 -0.45 0.00 1.68 0.00 0.00 54.58 53.67 3hma n ASN 129 Cb 0.34 -0.34 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 3hma n ASN 129 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3hma s VAL 130 N -1.61 5.14 0.35 2.41 1.01 -0.96 -1.74 120.40 125.00 3hma s VAL 130 Ca 0.25 -1.22 0.09 0.00 0.00 0.00 0.00 61.98 61.11 3hma s VAL 130 Cb 0.15 -4.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 3hma s VAL 130 CO 0.14 -0.80 -0.08 0.68 0.00 0.00 0.00 175.10 175.04 3hma s VAL 131 N 1.82 2.28 0.34 2.92 -7.23 0.17 -4.97 120.40 115.74 3hma s VAL 131 Ca 0.05 -2.18 -0.05 0.00 -1.81 0.00 0.00 61.98 58.00 3hma s VAL 131 Cb -0.27 -2.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.96 3hma s VAL 131 CO 0.05 -0.20 0.62 -2.16 -0.31 0.00 0.00 175.10 173.10 3hma s PRO 132 N -3.62 3.61 0.32 4.82 0.04 -1.26 -1.08 135.00 137.83 3hma s PRO 132 Ca 0.33 0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.50 3hma s PRO 132 Cb 0.02 -2.57 0.89 0.00 0.04 0.00 0.00 34.50 32.88 3hma s PRO 132 CO 0.17 0.11 1.72 1.25 0.04 0.00 0.00 177.00 180.28 3hma h HIS 133 N 1.25 0.96 -1.00 0.56 -0.00 -1.20 -0.22 115.15 115.49 3hma h HIS 133 Ca -0.48 0.04 0.24 0.00 -0.00 0.00 0.00 60.37 60.17 3hma h HIS 133 Cb 1.20 -0.27 -0.12 0.00 -0.00 0.00 0.00 27.41 28.22 3hma h HIS 133 CO 0.57 0.02 0.58 -0.22 -0.00 0.00 0.00 177.93 178.88 3hma h LYS 134 N 0.53 0.57 -0.97 5.26 3.64 -1.21 -1.12 116.57 123.28 3hma h LYS 134 Ca 0.65 -0.03 0.16 0.00 -1.27 0.00 0.00 60.65 60.15 3hma h LYS 134 Cb 1.26 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.85 3hma h LYS 134 CO -0.50 0.38 0.58 -0.92 -2.27 0.00 0.00 179.45 176.72 3hma h TYR 135 N 0.59 1.02 0.01 1.91 3.20 -1.34 1.58 116.97 123.95 3hma h TYR 135 Ca 0.63 0.03 -0.25 0.00 3.14 0.00 0.00 58.73 62.29 3hma h TYR 135 Cb 1.18 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 39.10 3hma h TYR 135 CO -0.01 0.29 -1.29 -1.49 -1.64 0.00 0.00 178.16 174.02 3hma h TRP 136 N 0.80 0.05 0.00 -3.82 4.06 -1.35 -3.41 115.95 112.28 3hma h TRP 136 Ca 0.53 -0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.45 3hma h TRP 136 Cb 0.72 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.88 3hma h TRP 136 CO -0.02 1.04 0.00 -1.13 -3.56 0.00 0.00 178.44 174.76 3hma n SER 137 N -3.26 0.13 0.00 -3.49 3.41 -1.03 -4.69 113.62 104.69 3hma n SER 137 Ca -0.07 -0.45 0.00 0.00 -0.26 0.00 0.00 58.87 58.09 3hma n SER 137 Cb 0.99 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 3hma n SER 137 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hma n GLY 138 N 0.33 0.67 3.79 5.00 0.00 0.54 -5.01 105.19 110.51 3hma n GLY 138 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3hma n GLY 138 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hma s LYS 139 N -0.17 4.11 -1.20 1.61 2.20 -1.26 -4.92 119.74 120.11 3hma s LYS 139 Ca 0.00 1.43 -0.19 0.00 -0.36 0.00 0.00 55.97 56.85 3hma s LYS 139 Cb 0.00 -2.42 -0.02 0.00 -1.51 0.00 0.00 37.83 33.88 3hma s LYS 139 CO 0.00 -0.17 1.95 0.39 -0.36 0.00 0.00 175.35 177.16 3hma n GLU 140 N -0.29 2.39 -3.72 4.03 -0.58 -1.26 -3.49 120.64 117.72 3hma n GLU 140 Ca 0.06 -2.62 -0.12 0.00 -0.42 0.00 0.00 57.16 54.06 3hma n GLU 140 Cb 0.51 -3.38 -0.10 0.00 -0.57 0.00 0.00 31.44 27.90 3hma n GLU 140 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3hma s PRO 142 N 0.68 3.62 0.50 0.00 0.04 -1.25 -1.24 135.00 137.36 3hma s PRO 142 Ca -0.04 1.19 0.28 0.00 0.04 0.00 0.00 61.00 62.47 3hma s PRO 142 Cb -0.05 -4.03 1.37 0.00 0.04 0.00 0.00 34.50 31.82 3hma s PRO 142 CO -0.05 -1.51 1.87 0.07 0.04 0.00 0.00 177.00 177.43 3hma h ARG 143 N 10.87 0.12 -0.01 4.56 0.11 -1.87 -0.96 114.38 127.19 3hma h ARG 143 Ca -0.29 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.78 3hma h ARG 143 Cb 1.12 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3hma h ARG 143 CO 1.05 0.08 -0.26 1.63 0.10 0.00 0.00 179.97 182.57 3hma n LYS 144 N -4.35 1.19 -0.00 0.08 5.02 -1.26 -4.25 118.16 114.59 3hma n LYS 144 Ca 0.19 -0.82 0.02 0.00 -2.02 0.00 0.00 58.31 55.69 3hma n LYS 144 Cb 0.90 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 34.40 3hma n LYS 144 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hma n LEU 145 N -0.19 0.12 -0.07 -0.35 7.99 -0.48 -4.78 117.00 119.24 3hma n LEU 145 Ca 0.13 -0.29 -0.07 0.00 -0.01 0.00 0.00 56.01 55.76 3hma n LEU 145 Cb 0.40 0.00 -0.01 0.00 -0.11 0.00 0.00 43.42 43.70 3hma n LEU 145 CO 0.24 0.03 0.83 -0.07 -1.51 0.00 0.00 177.39 176.92 3hma h LEU 146 N 0.00 -0.19 -1.23 2.23 3.38 -1.42 1.11 115.31 119.19 3hma h LEU 146 Ca 0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hma h LEU 146 Cb 0.14 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3hma h LEU 146 CO 0.00 -0.06 0.00 0.44 0.09 0.00 0.00 178.44 178.91 3hma h ASP 147 N 0.03 0.00 0.00 -0.43 3.32 -1.86 -2.83 116.42 114.65 3hma h ASP 147 Ca 0.13 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 3hma h ASP 147 Cb 0.18 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.68 3hma h ASP 147 CO -0.25 0.00 -0.38 0.35 -1.72 0.00 0.00 179.24 177.24 3hma n THR 148 N -2.50 1.07 -0.22 0.35 -2.24 -0.74 -4.90 114.28 105.11 3hma n THR 148 Ca 0.01 -1.51 -0.03 0.00 -2.27 0.00 0.00 64.05 60.25 3hma n THR 148 Cb 0.19 0.17 0.03 0.00 -2.10 0.00 0.00 70.33 68.62 3hma n THR 148 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3hma h TRP 149 N 0.28 -0.70 -0.76 4.78 2.91 0.15 0.11 115.95 122.72 3hma h TRP 149 Ca -0.03 0.07 0.07 0.00 1.13 0.00 0.00 58.89 60.13 3hma h TRP 149 Cb 1.25 0.40 -0.05 0.00 -0.51 0.00 0.00 29.16 30.25 3hma h TRP 149 CO 0.17 -0.35 0.50 -0.44 -1.03 0.00 0.00 178.44 177.29 3hma h ASP 150 N -0.10 0.69 -0.04 2.65 3.45 -1.86 -0.40 116.42 120.81 3hma h ASP 150 Ca 0.27 0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.58 3hma h ASP 150 Cb 0.54 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 3hma h ASP 150 CO -0.70 0.44 -0.53 0.28 -1.57 0.00 0.00 179.24 177.16 3hma h SER 151 N 0.78 0.69 -0.31 6.45 0.02 -1.26 -1.24 113.55 118.69 3hma h SER 151 Ca 0.33 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3hma h SER 151 Cb 0.29 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 3hma h SER 151 CO -0.12 1.09 0.19 0.15 -1.14 0.00 0.00 176.83 177.00 3hma h PHE 152 N 0.48 0.40 -0.54 3.45 3.57 0.39 -2.02 116.94 122.66 3hma h PHE 152 Ca 0.01 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.43 3hma h PHE 152 Cb 1.09 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 3hma h PHE 152 CO 0.05 0.29 0.02 0.87 -2.23 0.00 0.00 178.31 177.31 3hma h LYS 153 N 0.39 0.95 -0.24 1.11 1.57 -1.05 -2.44 116.57 116.86 3hma h LYS 153 Ca 0.11 -0.29 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3hma h LYS 153 Cb 0.00 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 3hma h LYS 153 CO -0.02 0.95 0.18 0.00 -0.57 0.00 0.00 179.45 179.99 3hma h ALA 154 N 0.96 2.13 -0.00 3.86 0.00 -0.97 0.54 119.26 125.78 3hma h ALA 154 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hma h ALA 154 Cb 0.51 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3hma h ALA 154 CO 0.02 -0.30 -0.13 0.41 0.00 0.00 0.00 179.25 179.25 3hma n GLY 155 N -1.54 -1.16 0.21 0.00 0.00 -0.78 -4.08 105.19 97.84 3hma n GLY 155 Ca 0.03 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 3hma n GLY 155 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3hma h ILE 156 N 0.29 0.67 0.00 -0.61 2.04 -0.82 -3.48 117.51 115.59 3hma h ILE 156 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3hma h ILE 156 Cb 0.40 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 3hma h ILE 156 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 178.15 178.77