#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a3l s ILE 2 N 0.00 4.35 -0.26 5.18 1.01 -1.26 -5.00 121.20 125.22 1a3l s ILE 2 Ca 0.00 1.60 -0.15 0.00 0.00 0.00 0.00 60.65 62.09 1a3l s ILE 2 Cb 0.00 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1a3l s ILE 2 CO 0.00 -0.29 0.39 -0.69 0.00 0.00 0.00 174.94 174.35 1a3l s VAL 3 N 3.71 5.17 -0.31 2.92 1.01 -1.26 -4.75 120.40 126.88 1a3l s VAL 3 Ca 0.52 0.62 -0.09 0.00 0.00 0.00 0.00 61.98 63.02 1a3l s VAL 3 Cb -0.17 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.49 1a3l s VAL 3 CO 0.15 0.16 0.15 -0.76 0.00 0.00 0.00 175.10 174.80 1a3l s LEU 4 N 1.99 4.12 -0.23 3.92 1.43 -1.26 -1.92 118.68 126.72 1a3l s LEU 4 Ca 0.16 -0.58 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1a3l s LEU 4 Cb -0.16 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.03 1a3l s LEU 4 CO 0.09 -0.21 0.18 -0.89 0.23 0.00 0.00 176.35 175.76 1a3l s THR 5 N 1.59 5.35 -0.01 5.49 2.01 0.14 -4.00 115.64 126.21 1a3l s THR 5 Ca 0.04 0.24 0.01 0.00 0.31 0.00 0.00 61.69 62.29 1a3l s THR 5 Cb -0.17 -3.52 0.00 0.00 0.01 0.00 0.00 72.50 68.82 1a3l s THR 5 CO 0.06 0.35 -0.03 -1.10 -0.69 0.00 0.00 174.62 173.21 1a3l s GLN 6 N 0.98 0.29 0.20 4.92 -0.21 -1.26 -0.44 119.66 124.15 1a3l s GLN 6 Ca 0.09 -0.09 -0.30 0.00 0.02 0.00 0.00 55.36 55.08 1a3l s GLN 6 Cb -0.13 -0.32 -0.09 0.00 1.00 0.00 0.00 33.01 33.48 1a3l s GLN 6 CO 0.04 0.04 1.28 0.00 -2.12 0.00 0.00 175.29 174.52 1a3l s ALA 7 N 0.12 3.50 0.29 6.09 0.00 -1.26 -4.61 121.76 125.90 1a3l s ALA 7 Ca -0.01 1.07 0.32 0.00 0.00 0.00 0.00 51.96 53.35 1a3l s ALA 7 Cb -0.04 -3.46 1.50 0.00 0.00 0.00 0.00 23.12 21.12 1a3l s ALA 7 CO -0.00 -0.50 2.05 0.00 0.00 0.00 0.00 175.76 177.31 1a3l h ALA 8 N 5.21 1.08 -3.22 0.00 0.00 -1.92 -3.33 119.26 117.08 1a3l h ALA 8 Ca -0.45 -0.07 -0.48 0.00 0.00 0.00 0.00 54.91 53.91 1a3l h ALA 8 Cb 1.21 -0.01 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 1a3l h ALA 8 CO 0.76 0.09 -0.79 -0.59 0.00 0.00 0.00 179.25 178.72 1a3l s PHE 9 N -3.90 1.59 0.14 0.00 -0.71 -1.26 -0.88 117.98 112.96 1a3l s PHE 9 Ca -0.01 -0.48 0.04 0.00 -1.04 0.00 0.00 56.93 55.44 1a3l s PHE 9 Cb 0.11 -0.84 -0.04 0.00 -1.21 0.00 0.00 43.02 41.03 1a3l s PHE 9 CO 0.55 0.19 -0.10 -1.54 -1.34 0.00 0.00 175.22 172.98 1a3l s SER 10 N -2.22 1.71 0.34 1.98 1.04 -1.20 -4.84 113.70 110.50 1a3l s SER 10 Ca 0.08 -1.00 -0.28 0.00 0.48 0.00 0.00 55.95 55.23 1a3l s SER 10 Cb -0.07 0.00 -0.10 0.00 0.10 0.00 0.00 66.02 65.95 1a3l s SER 10 CO 0.04 -0.34 1.21 0.20 0.98 0.00 0.00 173.24 175.33 1a3l s ASN 11 N -3.12 6.82 0.30 7.02 0.01 -1.26 -4.72 114.94 119.99 1a3l s ASN 11 Ca 0.16 2.48 -0.30 0.00 -0.71 0.00 0.00 52.86 54.49 1a3l s ASN 11 Cb 0.03 -2.63 -0.13 0.00 0.41 0.00 0.00 41.25 38.93 1a3l s ASN 11 CO -0.00 -0.48 1.39 -2.65 -1.51 0.00 0.00 177.10 173.85 1a3l n PRO 12 N 0.68 2.21 -5.23 -0.60 -0.02 -1.26 -4.62 135.00 126.16 1a3l n PRO 12 Ca 0.01 0.78 -0.32 0.00 -2.02 0.00 0.00 63.50 61.96 1a3l n PRO 12 Cb 0.44 -2.43 -0.17 0.00 -0.02 0.00 0.00 33.50 31.32 1a3l n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1a3l s VAL 13 N -0.53 2.04 0.24 -1.45 0.11 0.43 -4.57 120.40 116.66 1a3l s VAL 13 Ca 0.61 -1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 1a3l s VAL 13 Cb -0.58 -1.74 -0.10 0.00 -1.53 0.00 0.00 36.38 32.43 1a3l s VAL 13 CO 0.55 0.56 1.36 -0.89 -3.33 0.00 0.00 175.10 173.35 1a3l s THR 14 N 0.13 2.92 0.07 5.04 2.01 -1.26 -0.55 115.64 124.00 1a3l s THR 14 Ca -0.12 0.78 -0.37 0.00 0.31 0.00 0.00 61.69 62.29 1a3l s THR 14 Cb -0.16 -3.50 -0.17 0.00 0.01 0.00 0.00 72.50 68.68 1a3l s THR 14 CO 0.07 0.13 1.28 -0.11 -0.69 0.00 0.00 174.62 175.30 1a3l n LEU 15 N 2.25 1.32 0.00 4.42 7.94 -1.26 -1.59 117.00 130.08 1a3l n LEU 15 Ca 0.06 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.08 1a3l n LEU 15 Cb 0.42 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 43.23 1a3l n LEU 15 CO 0.59 -1.22 0.00 0.61 -1.11 0.00 0.00 177.39 176.26 1a3l n GLY 16 N 2.32 2.39 3.92 -3.96 0.00 0.10 -4.93 105.19 105.03 1a3l n GLY 16 Ca 0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.94 1a3l n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3l s ALA 17 N -2.40 2.99 0.27 4.61 0.00 -0.62 -4.38 121.76 122.23 1a3l s ALA 17 Ca 0.00 -0.90 -0.14 0.00 0.00 0.00 0.00 51.96 50.92 1a3l s ALA 17 Cb 0.00 -2.68 -0.08 0.00 0.00 0.00 0.00 23.12 20.35 1a3l s ALA 17 CO 0.00 -1.47 0.67 -1.12 0.00 0.00 0.00 175.76 173.84 1a3l s SER 18 N -4.56 6.78 0.06 0.00 0.01 -1.21 -0.84 113.70 113.94 1a3l s SER 18 Ca 0.62 1.19 0.05 0.00 1.31 0.00 0.00 55.95 59.12 1a3l s SER 18 Cb -0.10 -2.34 -0.03 0.00 0.21 0.00 0.00 66.02 63.76 1a3l s SER 18 CO 0.46 -0.11 -0.13 0.00 0.41 0.00 0.00 173.24 173.87 1a3l s ALA 19 N -1.83 1.06 -0.00 1.44 0.00 -0.22 -4.95 121.76 117.27 1a3l s ALA 19 Ca 0.49 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.55 1a3l s ALA 19 Cb -0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1a3l s ALA 19 CO 0.19 0.14 -0.09 -1.12 0.00 0.00 0.00 175.76 174.88 1a3l s SER 20 N -1.63 1.03 -0.07 0.00 0.01 -1.26 -0.37 113.70 111.41 1a3l s SER 20 Ca -0.03 -0.19 0.05 0.00 1.31 0.00 0.00 55.95 57.09 1a3l s SER 20 Cb -0.10 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.02 1a3l s SER 20 CO 0.02 0.09 -0.24 -0.63 0.41 0.00 0.00 173.24 172.89 1a3l s ILE 21 N -0.29 1.99 0.16 1.44 -1.09 0.34 -4.98 121.20 118.76 1a3l s ILE 21 Ca 0.03 -1.01 0.09 0.00 -2.23 0.00 0.00 60.65 57.52 1a3l s ILE 21 Cb -0.04 -1.70 -0.04 0.00 -1.58 0.00 0.00 42.46 39.10 1a3l s ILE 21 CO -0.00 0.55 -0.14 -0.94 -1.23 0.00 0.00 174.94 173.18 1a3l s SER 22 N 0.03 4.05 -0.01 3.58 1.04 -1.26 -0.23 113.70 120.89 1a3l s SER 22 Ca -0.09 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.75 1a3l s SER 22 Cb -0.15 -0.62 0.01 0.00 0.10 0.00 0.00 66.02 65.37 1a3l s SER 22 CO 0.05 0.13 0.01 0.00 0.98 0.00 0.00 173.24 174.41 1a3l s ARG 24 N 0.50 2.67 -0.12 0.00 3.52 0.42 -0.74 118.95 125.21 1a3l s ARG 24 Ca -0.04 -0.81 -0.09 0.00 -0.13 0.00 0.00 55.73 54.66 1a3l s ARG 24 Cb -0.06 -2.10 -0.04 0.00 -1.56 0.00 0.00 34.95 31.18 1a3l s ARG 24 CO -0.01 0.21 0.18 0.45 -0.81 0.00 0.00 175.30 175.32 1a3l s SER 25 N 0.24 6.42 0.29 -2.12 0.15 0.38 -0.68 113.70 118.38 1a3l s SER 25 Ca -0.14 0.50 0.26 0.00 0.70 0.00 0.00 55.95 57.27 1a3l s SER 25 Cb -0.16 -2.10 0.87 0.00 -1.71 0.00 0.00 66.02 62.92 1a3l s SER 25 CO 0.07 0.35 1.76 0.77 1.20 0.00 0.00 173.24 177.38 1a3l h SER 26 N 5.31 0.00 -5.01 5.45 4.64 -1.70 -3.44 113.55 118.79 1a3l h SER 26 Ca -0.52 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 60.65 1a3l h SER 26 Cb 1.21 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.10 1a3l h SER 26 CO 0.62 0.00 -0.63 -0.75 -0.87 0.00 0.00 176.83 175.20 1a3l s LYS 27 N -3.25 0.41 0.00 4.77 2.20 -1.26 -5.01 119.74 117.60 1a3l s LYS 27 Ca 0.07 -0.63 0.00 0.00 -0.36 0.00 0.00 55.97 55.05 1a3l s LYS 27 Cb 0.10 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.57 1a3l s LYS 27 CO 0.53 -0.08 0.00 0.45 -0.36 0.00 0.00 175.35 175.89 1a3l n SER 27 N 1.34 -1.06 -1.97 1.43 2.88 -1.26 -4.78 113.62 110.20 1a3l n SER 27 Ca -0.22 -0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.31 1a3l n SER 27 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1a3l n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1a3l n LEU 27 N 0.00 -6.59 -4.91 2.46 7.94 -1.26 -5.03 117.00 109.61 1a3l n LEU 27 Ca 0.00 3.40 -0.27 0.00 -1.11 0.00 0.00 56.01 58.04 1a3l n LEU 27 Cb 0.00 -3.31 0.00 0.00 0.53 0.00 0.00 43.42 40.65 1a3l n LEU 27 CO 0.00 -0.85 0.41 0.21 -1.11 0.00 0.00 177.39 176.05 1a3l s ASN 27 N -1.81 6.17 0.62 1.96 3.84 -0.13 -4.98 114.94 120.62 1a3l s ASN 27 Ca 0.00 0.81 0.32 0.00 0.21 0.00 0.00 52.86 54.21 1a3l s ASN 27 Cb 0.00 -2.13 1.82 0.00 -0.55 0.00 0.00 41.25 40.39 1a3l s ASN 27 CO 0.00 -0.60 2.11 0.77 -2.79 0.00 0.00 177.10 176.59 1a3l h SER 27 N 0.26 0.00 -0.00 -4.21 4.64 -2.03 -1.69 113.55 110.51 1a3l h SER 27 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1a3l h SER 27 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1a3l h SER 27 CO 0.61 0.00 -0.07 -0.46 -0.87 0.00 0.00 176.83 176.04 1a3l n ASN 28 N -3.44 2.26 0.00 4.97 0.23 -1.26 -4.95 115.26 113.06 1a3l n ASN 28 Ca -0.00 -1.70 0.00 0.00 -0.53 0.00 0.00 54.58 52.35 1a3l n ASN 28 Cb 0.29 0.06 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 1a3l n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1a3l n GLY 29 N 1.30 2.35 3.76 4.83 0.00 -0.64 -5.08 105.19 111.72 1a3l n GLY 29 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1a3l n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1a3l s ILE 30 N -2.58 3.40 -0.34 -0.61 1.01 -1.26 -4.76 121.20 116.06 1a3l s ILE 30 Ca 0.00 1.40 -0.13 0.00 0.00 0.00 0.00 60.65 61.92 1a3l s ILE 30 Cb 0.00 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.56 1a3l s ILE 30 CO 0.00 0.33 0.24 -0.63 0.00 0.00 0.00 174.94 174.88 1a3l s ILE 31 N -1.08 5.28 -1.48 2.92 -1.09 -1.26 -0.95 121.20 123.54 1a3l s ILE 31 Ca 0.45 -0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.57 1a3l s ILE 31 Cb -0.33 -3.72 0.01 0.00 -1.58 0.00 0.00 42.46 36.84 1a3l s ILE 31 CO 0.42 -0.01 2.64 1.41 -1.23 0.00 0.00 174.94 178.17 1a3l n HIS 32 N 5.11 2.59 -5.16 3.97 8.25 -1.26 -3.69 115.22 125.03 1a3l n HIS 32 Ca -0.13 -2.97 -0.32 0.00 -0.26 0.00 0.00 57.72 54.04 1a3l n HIS 32 Cb 0.50 -2.23 -0.16 0.00 1.12 0.00 0.00 29.99 29.22 1a3l n HIS 32 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1a3l s MET 33 N 0.90 2.76 0.01 -0.41 0.00 -1.26 -3.63 119.30 117.67 1a3l s MET 33 Ca 0.61 -0.85 0.03 0.00 0.00 0.00 0.00 55.69 55.47 1a3l s MET 33 Cb 0.17 -2.27 -0.01 0.00 0.00 0.00 0.00 34.83 32.72 1a3l s MET 33 CO -0.07 0.34 -0.09 0.71 0.00 0.00 0.00 175.02 175.90 1a3l s TYR 34 N -0.04 0.82 -0.09 4.11 1.51 -0.93 -0.47 117.35 122.27 1a3l s TYR 34 Ca -0.07 -0.22 0.03 0.00 -1.01 0.00 0.00 57.07 55.81 1a3l s TYR 34 Cb -0.15 -0.52 0.01 0.00 -0.11 0.00 0.00 41.96 41.19 1a3l s TYR 34 CO 0.05 -0.01 -0.18 -1.58 -1.11 0.00 0.00 175.55 172.71 1a3l s TRP 35 N -0.44 2.03 0.09 2.71 0.52 -0.12 -1.39 118.94 122.34 1a3l s TRP 35 Ca 0.01 -0.82 0.10 0.00 0.02 0.00 0.00 56.10 55.42 1a3l s TRP 35 Cb -0.05 -1.41 -0.03 0.00 -1.15 0.00 0.00 33.47 30.83 1a3l s TRP 35 CO 0.00 -0.36 -0.27 0.71 0.02 0.00 0.00 176.95 177.05 1a3l s TYR 36 N 0.54 2.31 -0.06 -1.98 2.02 0.77 -1.05 117.35 119.90 1a3l s TYR 36 Ca -0.16 -0.40 0.01 0.00 -0.37 0.00 0.00 57.07 56.16 1a3l s TYR 36 Cb -0.17 -1.32 -0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1a3l s TYR 36 CO 0.06 0.23 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.01 1a3l s LEU 37 N -1.65 3.09 -0.06 -1.29 2.96 0.01 0.63 118.68 122.37 1a3l s LEU 37 Ca 0.13 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 1a3l s LEU 37 Cb -0.10 -1.67 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1a3l s LEU 37 CO 0.04 0.36 -0.07 -1.58 -1.32 0.00 0.00 176.35 173.78 1a3l s GLN 38 N -0.83 1.15 0.12 1.98 0.74 0.97 -0.61 119.66 123.18 1a3l s GLN 38 Ca 0.12 -0.19 -0.06 0.00 0.05 0.00 0.00 55.36 55.29 1a3l s GLN 38 Cb -0.11 -1.12 -0.06 0.00 1.10 0.00 0.00 33.01 32.82 1a3l s GLN 38 CO 0.02 -0.10 0.37 0.15 -0.55 0.00 0.00 175.29 175.17 1a3l s LYS 39 N 1.08 3.63 0.22 1.67 1.02 -1.26 -1.20 119.74 124.90 1a3l s LYS 39 Ca -0.08 -0.06 -0.32 0.00 0.02 0.00 0.00 55.97 55.54 1a3l s LYS 39 Cb -0.14 -2.89 -0.14 0.00 -0.52 0.00 0.00 37.83 34.14 1a3l s LYS 39 CO -0.01 0.49 1.37 -2.30 -0.92 0.00 0.00 175.35 173.99 1a3l n PRO 40 N 0.28 1.87 -1.06 -1.68 -0.02 -1.26 -0.69 135.00 132.43 1a3l n PRO 40 Ca -0.04 0.67 -0.02 0.00 -2.02 0.00 0.00 63.50 62.09 1a3l n PRO 40 Cb 0.52 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1a3l n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1a3l n GLY 41 N 2.22 0.48 3.42 -1.23 0.00 -1.26 -5.00 105.19 103.82 1a3l n GLY 41 Ca 0.13 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1a3l n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a3l s GLN 42 N -1.30 1.54 0.61 1.61 -0.21 0.13 -5.13 119.66 116.91 1a3l s GLN 42 Ca 0.00 -1.74 -0.13 0.00 0.02 0.00 0.00 55.36 53.51 1a3l s GLN 42 Cb 0.00 -1.33 -0.04 0.00 1.00 0.00 0.00 33.01 32.65 1a3l s GLN 42 CO 0.00 0.15 1.03 -1.12 -2.12 0.00 0.00 175.29 173.23 1a3l s SER 43 N -3.44 6.02 0.71 5.90 0.01 -1.26 -4.56 113.70 117.09 1a3l s SER 43 Ca 0.28 1.58 -0.15 0.00 1.31 0.00 0.00 55.95 58.97 1a3l s SER 43 Cb 0.00 -2.50 0.03 0.00 0.21 0.00 0.00 66.02 63.77 1a3l s SER 43 CO 0.11 -1.00 1.16 -2.16 0.41 0.00 0.00 173.24 171.76 1a3l s PRO 44 N -4.67 2.37 -0.14 12.44 0.04 -1.26 -4.66 135.00 139.12 1a3l s PRO 44 Ca 0.58 1.56 0.01 0.00 0.04 0.00 0.00 61.00 63.19 1a3l s PRO 44 Cb -0.12 -1.88 0.02 0.00 0.04 0.00 0.00 34.50 32.55 1a3l s PRO 44 CO 0.46 -1.62 -0.15 -1.14 0.04 0.00 0.00 177.00 174.59 1a3l s GLN 45 N -4.07 2.35 0.10 4.56 0.74 0.22 -4.96 119.66 118.61 1a3l s GLN 45 Ca 0.70 -0.59 -0.31 0.00 0.05 0.00 0.00 55.36 55.21 1a3l s GLN 45 Cb -0.24 -2.10 -0.08 0.00 1.10 0.00 0.00 33.01 31.68 1a3l s GLN 45 CO 0.45 -0.19 1.42 -1.17 -0.55 0.00 0.00 175.29 175.25 1a3l s LEU 46 N 1.35 4.36 -0.17 3.68 2.96 -1.26 -0.81 118.68 128.79 1a3l s LEU 46 Ca 0.02 2.34 -0.07 0.00 -0.22 0.00 0.00 54.13 56.20 1a3l s LEU 46 Cb -0.13 -3.58 -0.08 0.00 0.50 0.00 0.00 46.19 42.90 1a3l s LEU 46 CO -0.09 -0.69 -0.21 0.18 -1.32 0.00 0.00 176.35 174.22 1a3l n LEU 47 N 4.22 1.36 -3.97 -0.68 4.77 -0.22 -4.61 117.00 117.87 1a3l n LEU 47 Ca 0.12 0.17 -0.20 0.00 -0.03 0.00 0.00 56.01 56.07 1a3l n LEU 47 Cb 0.42 -0.50 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 1a3l n LEU 47 CO 0.59 0.39 -0.43 -0.63 -1.33 0.00 0.00 177.39 175.98 1a3l s ILE 48 N -2.31 0.73 0.10 -0.08 -1.09 -1.12 -0.50 121.20 116.94 1a3l s ILE 48 Ca -0.23 -0.31 0.07 0.00 -2.23 0.00 0.00 60.65 57.96 1a3l s ILE 48 Cb 0.09 -0.67 -0.03 0.00 -1.58 0.00 0.00 42.46 40.26 1a3l s ILE 48 CO 0.30 0.24 -0.19 -0.72 -1.23 0.00 0.00 174.94 173.35 1a3l s TYR 49 N 0.39 1.62 -1.34 3.97 1.13 0.96 -0.94 117.35 123.14 1a3l s TYR 49 Ca -0.06 -0.44 -0.00 0.00 -1.41 0.00 0.00 57.07 55.16 1a3l s TYR 49 Cb -0.10 -0.89 -0.00 0.00 -1.10 0.00 0.00 41.96 39.87 1a3l s TYR 49 CO 0.01 0.17 0.60 1.04 -2.51 0.00 0.00 175.55 174.86 1a3l n GLN 50 N 1.06 -4.33 0.00 -3.49 6.02 -0.04 -0.81 117.38 115.79 1a3l n GLN 50 Ca -0.19 0.55 0.00 0.00 -0.01 0.00 0.00 57.00 57.34 1a3l n GLN 50 Cb 0.54 -4.95 0.00 0.00 1.02 0.00 0.00 30.24 26.85 1a3l n GLN 50 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1a3l n MET 51 N -4.31 0.00 0.00 -1.09 0.00 0.38 -4.10 117.12 108.00 1a3l n MET 51 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.40 1a3l n MET 51 Cb 0.68 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.80 1a3l n MET 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1a3l n SER 52 N 1.59 0.07 -4.74 6.12 3.41 -1.20 -3.31 113.62 115.56 1a3l n SER 52 Ca 0.00 -1.03 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 1a3l n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1a3l n SER 52 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1a3l s LYS 53 N -0.03 4.32 -0.19 4.33 1.02 0.01 -4.47 119.74 124.72 1a3l s LYS 53 Ca 0.00 0.55 -0.29 0.00 0.02 0.00 0.00 55.97 56.24 1a3l s LYS 53 Cb 0.00 -3.41 0.00 0.00 -0.52 0.00 0.00 37.83 33.90 1a3l s LYS 53 CO 0.00 0.22 1.08 -1.17 -0.92 0.00 0.00 175.35 174.55 1a3l s LEU 54 N 0.39 4.15 0.35 3.17 2.96 -1.26 -0.03 118.68 128.41 1a3l s LEU 54 Ca 0.28 1.47 -0.28 0.00 -0.22 0.00 0.00 54.13 55.38 1a3l s LEU 54 Cb -0.16 -3.54 -0.11 0.00 0.50 0.00 0.00 46.19 42.88 1a3l s LEU 54 CO 0.13 -0.64 1.38 0.00 -1.32 0.00 0.00 176.35 175.89 1a3l s ALA 55 N 3.00 3.52 0.32 5.97 0.00 0.34 -4.92 121.76 129.99 1a3l s ALA 55 Ca 0.47 1.39 -0.29 0.00 0.00 0.00 0.00 51.96 53.52 1a3l s ALA 55 Cb -0.17 -3.53 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 1a3l s ALA 55 CO 0.10 -0.82 1.56 0.45 0.00 0.00 0.00 175.76 177.06 1a3l s SER 56 N -0.35 6.36 0.00 0.00 0.15 -1.26 -1.03 113.70 117.57 1a3l s SER 56 Ca 0.51 2.98 0.00 0.00 0.70 0.00 0.00 55.95 60.14 1a3l s SER 56 Cb -0.42 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.24 1a3l s SER 56 CO 0.57 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.72 1a3l n GLY 57 N 1.66 2.18 3.78 9.45 0.00 -1.26 -5.02 105.19 115.98 1a3l n GLY 57 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 1a3l n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a3l s ALA 58 N -2.33 3.67 0.50 4.61 0.00 -0.20 -5.07 121.76 122.94 1a3l s ALA 58 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 51.96 51.30 1a3l s ALA 58 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.75 1a3l s ALA 58 CO 0.00 0.27 1.21 -1.25 0.00 0.00 0.00 175.76 175.99 1a3l s PRO 59 N -0.14 3.50 0.00 0.00 0.04 -1.26 -4.81 135.00 132.33 1a3l s PRO 59 Ca 0.18 1.88 0.02 0.00 0.04 0.00 0.00 61.00 63.11 1a3l s PRO 59 Cb -0.14 -2.29 0.10 0.00 0.04 0.00 0.00 34.50 32.21 1a3l s PRO 59 CO 0.06 -0.79 0.96 -0.40 0.04 0.00 0.00 177.00 176.86 1a3l n ASP 60 N -0.79 0.00 0.26 6.66 5.68 -1.26 -0.86 116.55 126.24 1a3l n ASP 60 Ca 0.09 -1.74 0.12 0.00 -0.50 0.00 0.00 54.79 52.76 1a3l n ASP 60 Cb 0.48 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.17 1a3l n ASP 60 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 1a3l h ARG 61 N 0.00 0.00 -6.26 0.11 3.08 -1.94 -3.43 114.38 105.94 1a3l h ARG 61 Ca 0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.50 1a3l h ARG 61 Cb 0.00 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.01 1a3l h ARG 61 CO 0.00 0.11 0.08 -0.06 -1.07 0.00 0.00 179.97 179.03 1a3l s PHE 62 N -4.35 3.76 0.05 3.04 0.08 -0.04 -1.36 117.98 119.16 1a3l s PHE 62 Ca -0.03 1.38 -0.13 0.00 0.12 0.00 0.00 56.93 58.27 1a3l s PHE 62 Cb 0.14 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.92 1a3l s PHE 62 CO 0.60 0.39 0.28 -1.54 -0.10 0.00 0.00 175.22 174.85 1a3l s SER 63 N -0.46 -0.09 0.04 1.36 1.04 -0.55 -4.94 113.70 110.10 1a3l s SER 63 Ca 0.34 -0.25 0.03 0.00 0.48 0.00 0.00 55.95 56.54 1a3l s SER 63 Cb -0.20 0.35 -0.02 0.00 0.10 0.00 0.00 66.02 66.25 1a3l s SER 63 CO 0.21 -0.62 -0.09 -0.83 0.98 0.00 0.00 173.24 172.89 1a3l s GLY 64 N -2.15 0.53 0.33 7.32 0.00 -1.26 -0.74 107.32 111.35 1a3l s GLY 64 Ca -0.04 -0.71 -0.09 0.00 0.00 0.00 0.00 44.72 43.88 1a3l s GLY 64 CO -0.04 -0.74 0.56 -1.35 0.00 0.00 0.00 173.10 171.52 1a3l s SER 65 N -1.33 0.43 0.00 1.64 1.04 -0.60 -4.26 113.70 110.62 1a3l s SER 65 Ca -0.06 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.12 1a3l s SER 65 Cb -0.09 0.69 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1a3l s SER 65 CO 0.01 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 173.48 1a3l n GLY 66 N -0.51 -0.50 0.00 7.32 0.00 -1.26 -0.54 105.19 109.71 1a3l n GLY 66 Ca -0.02 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.90 1a3l n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a3l n SER 67 N 0.00 0.00 0.00 1.61 3.41 0.03 -4.99 113.62 113.68 1a3l n SER 67 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1a3l n SER 67 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1a3l n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a3l n GLY 68 N 5.00 -0.86 0.00 5.00 0.00 -1.26 -4.83 105.19 108.24 1a3l n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1a3l n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1a3l n THR 69 N -0.04 0.00 -4.54 2.61 -1.04 -1.26 -4.34 114.28 105.67 1a3l n THR 69 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.68 1a3l n THR 69 Cb 0.06 -0.26 -0.16 0.00 -1.82 0.00 0.00 70.33 68.14 1a3l n THR 69 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1a3l s ASP 70 N -1.54 3.34 0.07 8.00 2.15 -1.26 -0.47 116.67 126.96 1a3l s ASP 70 Ca 0.00 -0.56 0.07 0.00 0.43 0.00 0.00 52.55 52.49 1a3l s ASP 70 Cb 0.00 -1.50 -0.03 0.00 -0.30 0.00 0.00 42.92 41.09 1a3l s ASP 70 CO 0.00 0.07 -0.18 -0.36 -0.17 0.00 0.00 175.17 174.53 1a3l s PHE 71 N 0.89 1.59 -0.05 -5.34 0.40 0.09 -0.79 117.98 114.77 1a3l s PHE 71 Ca -0.05 -0.40 0.01 0.00 -0.60 0.00 0.00 56.93 55.89 1a3l s PHE 71 Cb -0.15 -0.90 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1a3l s PHE 71 CO -0.03 0.12 -0.06 0.99 0.70 0.00 0.00 175.22 176.95 1a3l s THR 72 N -1.04 0.63 -0.21 0.64 2.01 0.30 -0.68 115.64 117.29 1a3l s THR 72 Ca 0.04 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.76 1a3l s THR 72 Cb -0.09 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 1a3l s THR 72 CO 0.03 0.24 0.17 -0.22 -0.69 0.00 0.00 174.62 174.15 1a3l s LEU 73 N 0.86 4.17 0.05 4.42 2.96 0.67 -1.56 118.68 130.25 1a3l s LEU 73 Ca -0.12 0.22 0.09 0.00 -0.22 0.00 0.00 54.13 54.10 1a3l s LEU 73 Cb -0.15 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.37 1a3l s LEU 73 CO 0.01 0.11 -0.25 -0.13 -1.32 0.00 0.00 176.35 174.77 1a3l s ARG 74 N 0.74 1.85 -0.23 1.98 0.52 0.08 -0.51 118.95 123.38 1a3l s ARG 74 Ca 0.09 -1.09 -0.00 0.00 -0.52 0.00 0.00 55.73 54.21 1a3l s ARG 74 Cb -0.12 -2.02 0.03 0.00 0.52 0.00 0.00 34.95 33.35 1a3l s ARG 74 CO 0.02 0.52 -0.10 0.42 0.02 0.00 0.00 175.30 176.18 1a3l s ILE 75 N -0.84 2.59 0.06 1.52 1.01 0.50 -1.48 121.20 124.57 1a3l s ILE 75 Ca 0.12 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.46 1a3l s ILE 75 Cb -0.10 -2.30 -0.14 0.00 0.01 0.00 0.00 42.46 39.93 1a3l s ILE 75 CO 0.03 0.25 1.56 0.77 0.00 0.00 0.00 174.94 177.54 1a3l h SER 76 N 7.96 0.10 -3.32 3.58 4.64 -1.51 -0.57 113.55 124.42 1a3l h SER 76 Ca -0.34 -0.21 -0.53 0.00 -0.47 0.00 0.00 61.79 60.25 1a3l h SER 76 Cb 1.11 -0.03 -0.39 0.00 -0.31 0.00 0.00 62.40 62.78 1a3l h SER 76 CO 0.57 0.28 -0.77 -0.13 -0.87 0.00 0.00 176.83 175.91 1a3l s ARG 77 N -5.36 0.89 0.28 4.77 0.52 -1.26 -3.36 118.95 115.44 1a3l s ARG 77 Ca -0.14 -0.45 -0.29 0.00 -0.52 0.00 0.00 55.73 54.33 1a3l s ARG 77 Cb 0.05 -2.03 -0.09 0.00 0.52 0.00 0.00 34.95 33.40 1a3l s ARG 77 CO 0.68 -0.57 0.99 0.08 0.02 0.00 0.00 175.30 176.51 1a3l s VAL 78 N 1.78 3.91 0.27 3.52 1.01 -0.02 -4.79 120.40 126.08 1a3l s VAL 78 Ca -0.01 1.81 0.08 0.00 0.00 0.00 0.00 61.98 63.87 1a3l s VAL 78 Cb -0.16 -4.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1a3l s VAL 78 CO -0.07 0.35 0.12 -1.61 0.00 0.00 0.00 175.10 173.88 1a3l s GLU 79 N -1.55 2.61 0.39 2.72 2.02 -1.26 -0.72 118.70 122.91 1a3l s GLU 79 Ca 0.45 -1.26 0.07 0.00 0.02 0.00 0.00 54.97 54.25 1a3l s GLU 79 Cb -0.26 -2.36 0.78 0.00 0.10 0.00 0.00 34.13 32.39 1a3l s GLU 79 CO 0.32 0.34 1.98 0.00 0.02 0.00 0.00 175.26 177.92 1a3l h ALA 80 N 1.64 1.57 0.00 5.21 0.00 -1.92 -2.10 119.26 123.67 1a3l h ALA 80 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1a3l h ALA 80 Cb 1.25 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1a3l h ALA 80 CO 0.61 0.33 0.00 -1.91 0.00 0.00 0.00 179.25 178.27 1a3l n GLU 81 N -4.38 0.83 0.00 0.00 4.07 -1.16 -2.76 120.64 117.24 1a3l n GLU 81 Ca 0.02 0.00 0.14 0.00 -0.06 0.00 0.00 57.16 57.26 1a3l n GLU 81 Cb 0.16 -1.30 0.56 0.00 -0.06 0.00 0.00 31.44 30.79 1a3l n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1a3l n ASP 82 N -0.80 0.99 -4.77 4.31 8.00 -0.79 -4.87 116.55 118.62 1a3l n ASP 82 Ca 0.12 -1.09 -0.40 0.00 0.71 0.00 0.00 54.79 54.12 1a3l n ASP 82 Cb 0.05 0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.15 1a3l n ASP 82 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1a3l s VAL 83 N -2.22 2.75 -5.00 2.53 -7.23 -1.11 -4.85 120.40 105.27 1a3l s VAL 83 Ca 0.34 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 61.26 1a3l s VAL 83 Cb 0.20 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.67 1a3l s VAL 83 CO 0.41 0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.98 1a3l n GLY 84 N 0.80 -0.28 3.32 2.32 0.00 -1.25 -4.76 105.19 105.33 1a3l n GLY 84 Ca 0.00 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.33 1a3l n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3l s VAL 85 N -2.92 2.99 -0.22 1.61 1.01 -0.34 -0.66 120.40 121.87 1a3l s VAL 85 Ca 0.00 -0.66 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 1a3l s VAL 85 Cb 0.00 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.04 1a3l s VAL 85 CO 0.00 0.50 0.19 -0.31 0.00 0.00 0.00 175.10 175.48 1a3l s TYR 86 N 0.79 3.35 -0.10 5.22 1.51 0.40 -0.02 117.35 128.50 1a3l s TYR 86 Ca -0.04 0.31 0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1a3l s TYR 86 Cb -0.15 -2.29 -0.02 0.00 -0.11 0.00 0.00 41.96 39.39 1a3l s TYR 86 CO 0.01 0.10 -0.11 0.71 -1.11 0.00 0.00 175.55 175.16 1a3l s TYR 87 N 0.94 2.84 0.38 2.71 1.51 0.21 -1.05 117.35 124.89 1a3l s TYR 87 Ca 0.10 -0.29 -0.01 0.00 -1.01 0.00 0.00 57.07 55.86 1a3l s TYR 87 Cb -0.13 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 1a3l s TYR 87 CO 0.04 0.06 0.60 0.00 -1.11 0.00 0.00 175.55 175.14 1a3l s ALA 89 N -2.42 -1.58 0.04 0.00 0.00 -0.48 -0.37 121.76 116.96 1a3l s ALA 89 Ca 0.42 0.83 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1a3l s ALA 89 Cb -0.10 0.40 -0.02 0.00 0.00 0.00 0.00 23.12 23.40 1a3l s ALA 89 CO 0.38 -0.54 -0.11 1.14 0.00 0.00 0.00 175.76 176.63 1a3l s GLN 90 N -2.37 0.70 -0.12 0.00 1.03 0.33 -2.18 119.66 117.05 1a3l s GLN 90 Ca -0.06 -0.75 0.19 0.00 0.04 0.00 0.00 55.36 54.79 1a3l s GLN 90 Cb -0.01 -0.62 0.44 0.00 0.03 0.00 0.00 33.01 32.85 1a3l s GLN 90 CO -0.01 0.14 1.18 0.27 -2.54 0.00 0.00 175.29 174.33 1a3l n ASN 91 N 1.68 1.60 -0.05 12.60 0.23 -1.24 -2.39 115.26 127.68 1a3l n ASN 91 Ca -0.20 -2.77 -0.13 0.00 -0.53 0.00 0.00 54.58 50.95 1a3l n ASN 91 Cb 0.55 -0.40 -0.07 0.00 -2.08 0.00 0.00 39.78 37.78 1a3l n ASN 91 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1a3l h LEU 92 N 1.27 0.40 -8.46 -4.53 5.85 -1.95 -3.47 115.31 104.42 1a3l h LEU 92 Ca -0.10 -0.50 -0.40 0.00 0.84 0.00 0.00 57.88 57.72 1a3l h LEU 92 Cb 1.50 -0.11 -0.20 0.00 0.37 0.00 0.00 40.66 42.22 1a3l h LEU 92 CO 0.13 0.82 -0.77 -1.61 -0.34 0.00 0.00 178.44 176.67 1a3l s GLU 93 N -4.23 0.87 0.24 1.25 2.02 -1.26 -5.11 118.70 112.47 1a3l s GLU 93 Ca -0.14 -1.04 -0.22 0.00 0.02 0.00 0.00 54.97 53.59 1a3l s GLU 93 Cb 0.05 -0.80 -0.09 0.00 0.10 0.00 0.00 34.13 33.39 1a3l s GLU 93 CO 0.76 0.17 0.79 -0.51 0.02 0.00 0.00 175.26 176.48 1a3l s LEU 94 N -1.98 4.37 0.46 1.80 1.43 -1.26 -3.27 118.68 120.22 1a3l s LEU 94 Ca 0.01 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.47 1a3l s LEU 94 Cb -0.08 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.38 1a3l s LEU 94 CO 0.02 0.03 0.97 -2.16 0.23 0.00 0.00 176.35 175.44 1a3l s PRO 95 N -1.90 4.10 0.55 1.29 0.04 -1.26 -4.91 135.00 132.91 1a3l s PRO 95 Ca 0.44 1.12 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 1a3l s PRO 95 Cb -0.18 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 1a3l s PRO 95 CO 0.22 -0.14 1.26 0.71 0.04 0.00 0.00 177.00 179.09 1a3l s TYR 96 N -2.25 2.43 0.04 0.56 2.02 -1.20 -4.67 117.35 114.27 1a3l s TYR 96 Ca 0.62 1.46 0.00 0.00 -0.37 0.00 0.00 57.07 58.78 1a3l s TYR 96 Cb -0.10 -3.60 -0.03 0.00 -0.40 0.00 0.00 41.96 37.82 1a3l s TYR 96 CO 0.18 -2.39 -0.04 0.95 -1.57 0.00 0.00 175.55 172.68 1a3l s THR 97 N -1.45 0.29 0.07 -0.71 -4.23 -1.01 -5.00 115.64 103.60 1a3l s THR 97 Ca 0.73 -1.40 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1a3l s THR 97 Cb -0.35 -0.97 -0.04 0.00 1.34 0.00 0.00 72.50 72.49 1a3l s THR 97 CO 0.40 -0.72 -0.14 -0.36 -0.54 0.00 0.00 174.62 173.26 1a3l s PHE 98 N -2.65 2.65 0.88 3.99 0.40 -1.26 -0.51 117.98 121.48 1a3l s PHE 98 Ca -0.03 -0.20 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 1a3l s PHE 98 Cb -0.01 -1.45 0.15 0.00 0.51 0.00 0.00 43.02 42.21 1a3l s PHE 98 CO -0.05 0.34 1.23 0.20 0.70 0.00 0.00 175.22 177.65 1a3l s GLY 99 N -1.78 1.72 0.00 4.36 0.00 0.51 -4.63 107.32 107.49 1a3l s GLY 99 Ca 0.17 -1.05 0.30 0.00 0.00 0.00 0.00 44.72 44.14 1a3l s GLY 99 CO 0.09 -0.40 2.11 0.61 0.00 0.00 0.00 173.10 175.50 1a3l n GLY 100 N -3.50 -0.90 0.00 0.20 0.00 -1.26 -4.74 105.19 95.00 1a3l n GLY 100 Ca 0.12 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1a3l n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1a3l n GLY 101 N 0.99 -1.97 3.15 -0.02 0.00 -1.26 -4.93 105.19 101.15 1a3l n GLY 101 Ca 0.22 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 1a3l n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1a3l s THR 102 N -1.99 1.93 -0.10 2.61 2.01 -0.22 -4.01 115.64 115.88 1a3l s THR 102 Ca 0.00 -0.91 -0.25 0.00 0.31 0.00 0.00 61.69 60.84 1a3l s THR 102 Cb 0.00 -1.71 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1a3l s THR 102 CO 0.00 0.53 0.77 -0.75 -0.69 0.00 0.00 174.62 174.47 1a3l s LYS 103 N 0.77 4.40 0.02 4.92 2.20 -0.06 -0.45 119.74 131.54 1a3l s LYS 103 Ca -0.09 0.97 -0.18 0.00 -0.36 0.00 0.00 55.97 56.30 1a3l s LYS 103 Cb -0.16 -3.49 -0.06 0.00 -1.51 0.00 0.00 37.83 32.61 1a3l s LYS 103 CO 0.00 -0.08 0.53 -1.17 -0.36 0.00 0.00 175.35 174.27 1a3l s LEU 104 N 1.27 4.47 0.00 5.43 2.96 0.16 -3.27 118.68 129.70 1a3l s LEU 104 Ca 0.39 1.14 0.03 0.00 -0.22 0.00 0.00 54.13 55.46 1a3l s LEU 104 Cb -0.18 -2.81 -0.01 0.00 0.50 0.00 0.00 46.19 43.69 1a3l s LEU 104 CO 0.17 0.23 -0.10 -1.83 -1.32 0.00 0.00 176.35 173.50 1a3l s GLU 105 N -0.77 0.75 0.02 1.98 -1.05 -1.26 -3.79 118.70 114.57 1a3l s GLU 105 Ca 0.28 -0.43 -0.21 0.00 -0.15 0.00 0.00 54.97 54.46 1a3l s GLU 105 Cb -0.18 -0.71 -0.06 0.00 -0.44 0.00 0.00 34.13 32.74 1a3l s GLU 105 CO 0.17 0.19 0.61 0.42 0.95 0.00 0.00 175.26 177.59 1a3l s ILE 106 N -0.41 4.84 -0.19 1.83 -1.09 -1.26 -0.43 121.20 124.49 1a3l s ILE 106 Ca 0.02 1.29 -0.18 0.00 -2.23 0.00 0.00 60.65 59.55 1a3l s ILE 106 Cb -0.05 -3.95 -0.03 0.00 -1.58 0.00 0.00 42.46 36.85 1a3l s ILE 106 CO -0.00 0.45 0.49 -0.75 -1.23 0.00 0.00 174.94 173.90 1a3l s LYS 107 N -0.40 4.20 0.39 2.79 2.20 0.28 -4.66 119.74 124.54 1a3l s LYS 107 Ca 0.31 0.38 0.05 0.00 -0.36 0.00 0.00 55.97 56.36 1a3l s LYS 107 Cb -0.19 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.57 1a3l s LYS 107 CO 0.18 -0.10 0.20 -0.98 -0.36 0.00 0.00 175.35 174.30 1a3l s ARG 108 N 1.47 1.90 0.41 4.03 1.70 -1.26 -4.13 118.95 123.07 1a3l s ARG 108 Ca 0.23 -2.15 -0.26 0.00 -0.47 0.00 0.00 55.73 53.09 1a3l s ARG 108 Cb -0.15 -0.21 -0.09 0.00 -0.57 0.00 0.00 34.95 33.93 1a3l s ARG 108 CO 0.09 -0.58 1.27 0.00 -1.08 0.00 0.00 175.30 175.01 1a3l s ALA 109 N -3.28 3.23 0.53 7.88 0.00 -1.26 -4.92 121.76 123.93 1a3l s ALA 109 Ca 0.30 1.17 -0.21 0.00 0.00 0.00 0.00 51.96 53.22 1a3l s ALA 109 Cb 0.02 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.60 1a3l s ALA 109 CO 0.20 -0.77 0.97 -0.25 0.00 0.00 0.00 175.76 175.91 1a3l n ASP 110 N 0.10 0.94 -3.77 0.00 8.00 -1.26 -4.81 116.55 115.74 1a3l n ASP 110 Ca 0.04 0.90 -0.13 0.00 0.71 0.00 0.00 54.79 56.30 1a3l n ASP 110 Cb 0.44 -1.37 -0.14 0.00 -0.02 0.00 0.00 41.12 40.03 1a3l n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a3l s ALA 111 N -1.43 -0.22 0.42 2.24 0.00 0.62 -4.89 121.76 118.49 1a3l s ALA 111 Ca 0.70 0.54 -0.23 0.00 0.00 0.00 0.00 51.96 52.97 1a3l s ALA 111 Cb -0.47 -0.36 -0.09 0.00 0.00 0.00 0.00 23.12 22.20 1a3l s ALA 111 CO 0.52 -0.12 1.04 0.00 0.00 0.00 0.00 175.76 177.20 1a3l s ALA 112 N 0.87 3.03 0.57 0.00 0.00 -1.26 -1.24 121.76 123.72 1a3l s ALA 112 Ca -0.07 0.67 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 1a3l s ALA 112 Cb -0.09 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1a3l s ALA 112 CO -0.04 -0.23 1.09 -1.25 0.00 0.00 0.00 175.76 175.34 1a3l s PRO 113 N -2.70 3.30 -0.32 0.00 0.04 -1.26 -4.58 135.00 129.48 1a3l s PRO 113 Ca 0.60 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.94 1a3l s PRO 113 Cb -0.20 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 1a3l s PRO 113 CO 0.25 -0.86 0.31 0.99 0.04 0.00 0.00 177.00 177.73 1a3l s THR 114 N -2.07 5.22 -0.13 1.26 2.01 -0.50 -4.87 115.64 116.56 1a3l s THR 114 Ca 0.69 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.77 1a3l s THR 114 Cb -0.20 -3.72 -0.03 0.00 0.01 0.00 0.00 72.50 68.55 1a3l s THR 114 CO 0.31 0.03 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.55 1a3l s VAL 115 N 1.92 4.02 0.01 3.82 1.01 -1.25 -1.39 120.40 128.53 1a3l s VAL 115 Ca 0.10 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1a3l s VAL 115 Cb -0.16 -2.73 -0.01 0.00 0.00 0.00 0.00 36.38 33.48 1a3l s VAL 115 CO 0.11 0.53 -0.05 -0.44 0.00 0.00 0.00 175.10 175.25 1a3l s SER 116 N -0.11 0.58 0.06 3.32 0.01 -0.46 -4.98 113.70 112.12 1a3l s SER 116 Ca 0.03 -0.18 0.09 0.00 1.31 0.00 0.00 55.95 57.20 1a3l s SER 116 Cb -0.13 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 1a3l s SER 116 CO 0.02 -0.00 -0.25 -0.51 0.41 0.00 0.00 173.24 172.91 1a3l s ILE 117 N -0.38 2.26 -0.02 1.44 2.07 -1.26 -0.57 121.20 124.74 1a3l s ILE 117 Ca -0.01 -1.41 0.01 0.00 -1.41 0.00 0.00 60.65 57.83 1a3l s ILE 117 Cb -0.03 -1.91 0.01 0.00 0.13 0.00 0.00 42.46 40.66 1a3l s ILE 117 CO -0.00 0.33 -0.04 -0.36 -1.91 0.00 0.00 174.94 172.96 1a3l s PHE 118 N -0.86 0.53 0.76 3.50 0.40 0.11 -4.99 117.98 117.43 1a3l s PHE 118 Ca 0.13 -0.11 -0.09 0.00 -0.60 0.00 0.00 56.93 56.26 1a3l s PHE 118 Cb -0.10 -0.46 0.07 0.00 0.51 0.00 0.00 43.02 43.05 1a3l s PHE 118 CO 0.03 -0.10 1.09 -1.25 0.70 0.00 0.00 175.22 175.69 1a3l s PRO 119 N 0.54 2.04 0.78 0.24 0.04 -1.26 -1.48 135.00 135.89 1a3l s PRO 119 Ca -0.06 -0.12 -0.14 0.00 0.04 0.00 0.00 61.00 60.72 1a3l s PRO 119 Cb -0.10 -2.07 0.07 0.00 0.04 0.00 0.00 34.50 32.44 1a3l s PRO 119 CO -0.00 -1.44 1.20 -2.14 0.04 0.00 0.00 177.00 174.66 1a3l s PRO 120 N -5.41 1.82 0.48 0.56 0.02 -1.20 -4.84 135.00 126.44 1a3l s PRO 120 Ca 0.61 1.73 -0.10 0.00 0.02 0.00 0.00 61.00 63.26 1a3l s PRO 120 Cb -0.11 -1.80 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1a3l s PRO 120 CO 0.47 -2.07 0.86 -1.54 -0.33 0.00 0.00 177.00 174.38 1a3l s SER 121 N -2.17 6.41 0.39 2.53 1.04 -1.26 -4.95 113.70 115.69 1a3l s SER 121 Ca 0.73 1.20 0.06 0.00 0.48 0.00 0.00 55.95 58.42 1a3l s SER 121 Cb -0.28 -2.36 0.80 0.00 0.10 0.00 0.00 66.02 64.28 1a3l s SER 121 CO 0.49 -0.56 2.03 0.77 0.98 0.00 0.00 173.24 176.95 1a3l h SER 122 N 0.63 0.55 -0.33 7.02 4.64 -1.99 -2.47 113.55 121.60 1a3l h SER 122 Ca -0.46 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 60.82 1a3l h SER 122 Cb 1.19 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1a3l h SER 122 CO 0.63 0.39 0.11 -0.33 -0.87 0.00 0.00 176.83 176.76 1a3l h GLU 123 N 0.64 0.51 -0.29 4.77 5.08 -1.98 -2.11 114.58 121.20 1a3l h GLU 123 Ca 0.20 -0.11 -0.16 0.00 -1.00 0.00 0.00 59.36 58.28 1a3l h GLU 123 Cb -0.00 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1a3l h GLU 123 CO -0.05 0.54 -0.47 0.37 -1.00 0.00 0.00 179.01 178.40 1a3l h GLN 124 N 0.39 0.79 -0.51 2.33 4.15 -1.78 -3.09 115.11 117.38 1a3l h GLN 124 Ca 0.11 -0.46 -0.03 0.00 0.77 0.00 0.00 58.65 59.05 1a3l h GLN 124 Cb 0.23 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 1a3l h GLN 124 CO -0.01 1.09 0.21 -0.07 -1.93 0.00 0.00 178.83 178.12 1a3l h LEU 125 N 0.62 0.66 -1.65 -2.39 3.38 -1.24 -0.82 115.31 113.87 1a3l h LEU 125 Ca 0.03 -0.07 0.07 0.00 0.09 0.00 0.00 57.88 58.00 1a3l h LEU 125 Cb 1.05 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 1a3l h LEU 125 CO 0.10 0.59 0.34 0.74 0.09 0.00 0.00 178.44 180.31 1a3l h THR 126 N 0.73 0.96 -0.00 0.22 2.02 -1.30 0.15 112.91 115.68 1a3l h THR 126 Ca 0.18 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.21 1a3l h THR 126 Cb 0.13 0.50 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1a3l h THR 126 CO -0.02 0.08 -0.16 -1.54 0.37 0.00 0.00 175.52 174.25 1a3l n SER 127 N -4.47 0.40 0.00 4.18 3.41 -0.35 -4.93 113.62 111.85 1a3l n SER 127 Ca 0.07 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.37 1a3l n SER 127 Cb 0.27 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1a3l n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1a3l n GLY 128 N 1.36 0.82 3.59 5.00 0.00 0.52 -5.05 105.19 111.43 1a3l n GLY 128 Ca 0.11 -0.07 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 1a3l n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1a3l s GLY 129 N -2.06 1.75 -0.29 -0.02 0.00 -0.96 -1.81 107.32 103.94 1a3l s GLY 129 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1a3l s GLY 129 CO 0.00 -1.38 0.33 0.00 0.00 0.00 0.00 173.10 172.06 1a3l s ALA 130 N -1.54 -0.69 -0.20 3.20 0.00 -0.12 -2.97 121.76 119.44 1a3l s ALA 130 Ca 0.24 -0.18 -0.09 0.00 0.00 0.00 0.00 51.96 51.94 1a3l s ALA 130 Cb -0.10 -1.90 -0.05 0.00 0.00 0.00 0.00 23.12 21.08 1a3l s ALA 130 CO 0.15 -1.74 0.11 -1.12 0.00 0.00 0.00 175.76 173.16 1a3l s SER 131 N 2.39 5.94 -0.22 0.00 0.01 -1.26 -0.10 113.70 120.46 1a3l s SER 131 Ca 0.10 0.14 -0.06 0.00 1.31 0.00 0.00 55.95 57.43 1a3l s SER 131 Cb -0.13 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 1a3l s SER 131 CO -0.31 0.15 0.03 -0.69 0.41 0.00 0.00 173.24 172.83 1a3l s VAL 132 N 0.53 4.14 -0.08 3.43 1.01 0.40 -3.21 120.40 126.62 1a3l s VAL 132 Ca 0.06 -0.24 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1a3l s VAL 132 Cb -0.12 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 1a3l s VAL 132 CO 0.00 0.40 0.01 -0.69 0.00 0.00 0.00 175.10 174.82 1a3l s VAL 133 N 1.16 4.38 -0.10 2.92 1.01 -0.55 -1.61 120.40 127.61 1a3l s VAL 133 Ca 0.03 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1a3l s VAL 133 Cb -0.14 -2.85 0.02 0.00 0.00 0.00 0.00 36.38 33.40 1a3l s VAL 133 CO 0.02 0.59 -0.08 0.00 0.00 0.00 0.00 175.10 175.63 1a3l s PHE 135 N 1.46 3.44 -0.44 0.00 0.08 0.26 -0.76 117.98 122.02 1a3l s PHE 135 Ca 0.00 0.37 0.03 0.00 0.12 0.00 0.00 56.93 57.45 1a3l s PHE 135 Cb -0.13 -1.96 0.13 0.00 -0.57 0.00 0.00 43.02 40.48 1a3l s PHE 135 CO -0.05 0.54 0.21 -0.51 -0.10 0.00 0.00 175.22 175.30 1a3l s LEU 136 N -0.61 3.49 0.04 -0.37 1.02 0.13 -1.35 118.68 121.04 1a3l s LEU 136 Ca 0.12 -2.60 0.02 0.00 0.02 0.00 0.00 54.13 51.69 1a3l s LEU 136 Cb -0.12 -1.31 -0.04 0.00 0.02 0.00 0.00 46.19 44.74 1a3l s LEU 136 CO 0.02 -0.28 0.03 0.20 0.02 0.00 0.00 176.35 176.34 1a3l s ASN 137 N 0.32 5.30 -1.05 2.29 0.01 -0.49 -0.02 114.94 121.31 1a3l s ASN 137 Ca 0.16 -0.02 -0.14 0.00 -0.71 0.00 0.00 52.86 52.15 1a3l s ASN 137 Cb -0.24 -1.39 -0.02 0.00 0.41 0.00 0.00 41.25 40.01 1a3l s ASN 137 CO -0.03 0.23 0.80 0.59 -1.51 0.00 0.00 177.10 177.17 1a3l n ASN 138 N 0.94 -5.89 -4.68 -1.22 4.13 -0.54 -1.41 115.26 106.59 1a3l n ASN 138 Ca -0.12 -0.84 -0.24 0.00 1.68 0.00 0.00 54.58 55.06 1a3l n ASN 138 Cb 0.52 -3.86 -0.08 0.00 -1.54 0.00 0.00 39.78 34.82 1a3l n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1a3l s PHE 139 N -3.35 2.61 -0.26 3.10 -0.12 0.20 -4.61 117.98 115.54 1a3l s PHE 139 Ca 0.38 -0.46 -0.19 0.00 -0.05 0.00 0.00 56.93 56.61 1a3l s PHE 139 Cb -0.11 -1.64 0.07 0.00 -0.63 0.00 0.00 43.02 40.71 1a3l s PHE 139 CO 0.83 0.37 0.66 -0.47 -0.05 0.00 0.00 175.22 176.56 1a3l s TYR 140 N -2.51 -0.87 0.94 3.49 5.04 -0.38 -0.75 117.35 122.32 1a3l s TYR 140 Ca 0.37 1.90 -0.16 0.00 -2.44 0.00 0.00 57.07 56.74 1a3l s TYR 140 Cb 0.00 0.42 0.22 0.00 0.35 0.00 0.00 41.96 42.95 1a3l s TYR 140 CO 0.21 -0.43 1.09 -0.35 -1.34 0.00 0.00 175.55 174.73 1a3l n PRO 141 N 3.52 -1.79 0.06 4.97 -0.04 -1.26 -0.28 135.00 140.19 1a3l n PRO 141 Ca -0.17 -1.70 0.02 0.00 -0.04 0.00 0.00 63.50 61.61 1a3l n PRO 141 Cb 0.57 -1.29 0.39 0.00 -0.04 0.00 0.00 33.50 33.13 1a3l n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1a3l h LYS 142 N 0.00 0.38 -6.44 0.54 3.64 -1.98 -3.44 116.57 109.28 1a3l h LYS 142 Ca -0.37 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.41 1a3l h LYS 142 Cb 1.06 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 32.84 1a3l h LYS 142 CO 0.25 0.40 1.01 -0.51 -2.27 0.00 0.00 179.45 178.34 1a3l s ASP 143 N -6.80 6.60 0.05 4.20 1.11 -1.26 -4.97 116.67 115.60 1a3l s ASP 143 Ca -0.07 2.48 -0.23 0.00 0.18 0.00 0.00 52.55 54.91 1a3l s ASP 143 Cb 0.16 -2.56 0.05 0.00 1.07 0.00 0.00 42.92 41.64 1a3l s ASP 143 CO 0.74 -0.90 0.54 -0.51 1.18 0.00 0.00 175.17 176.22 1a3l s ILE 144 N 2.77 0.03 0.04 0.77 2.07 -1.26 -4.63 121.20 120.99 1a3l s ILE 144 Ca 0.74 -0.21 0.03 0.00 -1.41 0.00 0.00 60.65 59.81 1a3l s ILE 144 Cb -0.40 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.19 1a3l s ILE 144 CO 0.32 -0.12 -0.10 0.20 -1.91 0.00 0.00 174.94 173.34 1a3l s ASN 145 N -2.02 1.09 -0.01 4.50 0.01 -0.65 -5.03 114.94 112.84 1a3l s ASN 145 Ca -0.05 -0.50 0.06 0.00 -0.71 0.00 0.00 52.86 51.66 1a3l s ASN 145 Cb -0.01 -0.01 -0.02 0.00 0.41 0.00 0.00 41.25 41.63 1a3l s ASN 145 CO -0.02 -0.12 -0.20 -0.69 -1.51 0.00 0.00 177.10 174.56 1a3l s VAL 146 N -1.15 1.55 -0.08 1.60 1.01 -1.26 -1.64 120.40 120.43 1a3l s VAL 146 Ca -0.06 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1a3l s VAL 146 Cb -0.09 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 35.01 1a3l s VAL 146 CO 0.01 0.41 -0.15 -0.75 0.00 0.00 0.00 175.10 174.62 1a3l s LYS 147 N -0.53 2.03 0.11 2.72 2.20 -0.66 -4.98 119.74 120.63 1a3l s LYS 147 Ca 0.07 -0.52 -0.05 0.00 -0.36 0.00 0.00 55.97 55.11 1a3l s LYS 147 Cb -0.08 -1.63 -0.05 0.00 -1.51 0.00 0.00 37.83 34.56 1a3l s LYS 147 CO -0.01 0.05 0.34 -1.58 -0.36 0.00 0.00 175.35 173.80 1a3l s TRP 148 N 0.61 3.51 -0.02 4.03 0.52 -1.26 -0.94 118.94 125.40 1a3l s TRP 148 Ca -0.15 0.53 0.01 0.00 0.02 0.00 0.00 56.10 56.51 1a3l s TRP 148 Cb -0.16 -1.98 0.01 0.00 -1.15 0.00 0.00 33.47 30.19 1a3l s TRP 148 CO 0.05 0.49 -0.02 0.15 0.02 0.00 0.00 176.95 177.64 1a3l s LYS 149 N -2.44 0.29 -0.18 4.98 1.02 -0.01 0.33 119.74 123.73 1a3l s LYS 149 Ca 0.37 -0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.34 1a3l s LYS 149 Cb -0.13 -0.36 0.01 0.00 -0.52 0.00 0.00 37.83 36.83 1a3l s LYS 149 CO 0.23 -0.03 -0.17 0.42 -0.92 0.00 0.00 175.35 174.89 1a3l s ILE 150 N 0.43 2.34 -1.52 2.17 1.01 0.57 -1.49 121.20 124.71 1a3l s ILE 150 Ca -0.04 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.68 1a3l s ILE 150 Cb -0.07 -2.00 0.06 0.00 0.01 0.00 0.00 42.46 40.47 1a3l s ILE 150 CO -0.01 0.52 0.64 0.47 0.00 0.00 0.00 174.94 176.56 1a3l n ASP 151 N 4.55 -2.00 0.00 3.58 8.00 0.09 -0.49 116.55 130.28 1a3l n ASP 151 Ca -0.20 -0.96 0.00 0.00 0.71 0.00 0.00 54.79 54.33 1a3l n ASP 151 Cb 0.50 -3.14 0.00 0.00 -0.02 0.00 0.00 41.12 38.47 1a3l n ASP 151 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1a3l n GLY 152 N -1.73 0.30 3.70 0.44 0.00 -1.26 -5.00 105.19 101.63 1a3l n GLY 152 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 1a3l n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1a3l s SER 153 N -2.10 5.58 0.33 1.61 0.01 0.36 -5.02 113.70 114.47 1a3l s SER 153 Ca 0.00 0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.14 1a3l s SER 153 Cb 0.00 -1.78 -0.11 0.00 0.21 0.00 0.00 66.02 64.34 1a3l s SER 153 CO 0.00 0.30 1.50 -0.70 0.41 0.00 0.00 173.24 174.75 1a3l s GLU 154 N -0.42 4.16 -0.13 12.44 2.12 -1.26 -0.32 118.70 135.29 1a3l s GLU 154 Ca 0.09 2.50 0.00 0.00 0.36 0.00 0.00 54.97 57.93 1a3l s GLU 154 Cb -0.12 -3.01 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1a3l s GLU 154 CO 0.02 -0.51 -0.13 0.50 -0.54 0.00 0.00 175.26 174.60 1a3l s ARG 155 N -1.33 2.07 -0.19 4.30 6.06 0.15 -4.83 118.95 125.18 1a3l s ARG 155 Ca 0.57 -0.47 0.03 0.00 -2.50 0.00 0.00 55.73 53.35 1a3l s ARG 155 Cb -0.46 -1.91 -0.13 0.00 0.06 0.00 0.00 34.95 32.50 1a3l s ARG 155 CO 0.55 -0.21 -0.14 1.04 -2.50 0.00 0.00 175.30 174.04 1a3l n GLN 156 N 4.70 0.63 -1.71 5.12 6.02 -1.26 -4.05 117.38 126.83 1a3l n GLN 156 Ca -0.16 0.09 -0.42 0.00 -0.01 0.00 0.00 57.00 56.50 1a3l n GLN 156 Cb 0.50 -1.39 -0.03 0.00 1.02 0.00 0.00 30.24 30.35 1a3l n GLN 156 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 1a3l s ASN 157 N -5.73 6.42 0.00 1.08 2.47 -1.26 -2.93 114.94 114.99 1a3l s ASN 157 Ca -0.23 2.76 0.00 0.00 0.42 0.00 0.00 52.86 55.81 1a3l s ASN 157 Cb 0.06 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 1a3l s ASN 157 CO 0.47 -1.01 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 1a3l n GLY 158 N 4.25 0.71 3.69 1.21 0.00 -1.26 -4.85 105.19 108.94 1a3l n GLY 158 Ca 0.18 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1a3l n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1a3l s VAL 159 N -2.00 5.35 -0.07 1.61 1.01 -1.15 -0.18 120.40 124.97 1a3l s VAL 159 Ca 0.00 0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.17 1a3l s VAL 159 Cb 0.00 -3.46 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1a3l s VAL 159 CO 0.00 0.40 -0.14 -0.76 0.00 0.00 0.00 175.10 174.60 1a3l s LEU 160 N 0.70 1.69 0.05 3.92 1.43 -0.38 -4.97 118.68 121.11 1a3l s LEU 160 Ca 0.08 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1a3l s LEU 160 Cb -0.12 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.15 1a3l s LEU 160 CO 0.01 0.04 -0.16 0.20 0.23 0.00 0.00 176.35 176.68 1a3l s ASN 161 N 0.67 3.99 -0.08 2.29 0.01 -1.26 -0.24 114.94 120.33 1a3l s ASN 161 Ca -0.14 -0.40 -0.05 0.00 -0.71 0.00 0.00 52.86 51.55 1a3l s ASN 161 Cb -0.16 -0.69 0.03 0.00 0.41 0.00 0.00 41.25 40.84 1a3l s ASN 161 CO 0.04 0.24 0.20 -0.55 -1.51 0.00 0.00 177.10 175.51 1a3l s SER 162 N -1.62 -0.20 -0.04 -1.22 0.15 -0.64 -4.99 113.70 105.14 1a3l s SER 162 Ca 0.16 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.23 1a3l s SER 162 Cb -0.11 0.35 -0.03 0.00 -1.71 0.00 0.00 66.02 64.53 1a3l s SER 162 CO 0.07 -0.11 -0.05 0.26 1.20 0.00 0.00 173.24 174.61 1a3l s TRP 163 N 0.63 2.96 0.72 3.44 0.51 -1.26 -1.15 118.94 124.78 1a3l s TRP 163 Ca -0.04 0.03 -0.11 0.00 -2.12 0.00 0.00 56.10 53.85 1a3l s TRP 163 Cb -0.06 -1.69 0.02 0.00 -0.81 0.00 0.00 33.47 30.94 1a3l s TRP 163 CO -0.03 0.37 1.10 0.95 -0.51 0.00 0.00 176.95 178.82 1a3l s THR 164 N -0.90 3.44 0.79 2.01 -4.23 -0.76 -5.02 115.64 110.97 1a3l s THR 164 Ca 0.14 0.47 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 1a3l s THR 164 Cb -0.11 -3.41 0.07 0.00 1.34 0.00 0.00 72.50 70.38 1a3l s THR 164 CO 0.04 -0.61 1.10 -1.81 -0.54 0.00 0.00 174.62 172.80 1a3l s ASP 165 N -4.27 4.32 0.26 3.99 1.01 -1.26 -4.60 116.67 116.13 1a3l s ASP 165 Ca 0.59 1.88 -0.31 0.00 0.71 0.00 0.00 52.55 55.42 1a3l s ASP 165 Cb -0.12 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 41.17 1a3l s ASP 165 CO 0.52 -2.16 1.63 1.67 0.21 0.00 0.00 175.17 177.05 1a3l n GLN 166 N -3.56 2.70 -1.94 8.23 7.27 -1.26 -4.78 117.38 124.04 1a3l n GLN 166 Ca 0.09 0.97 -0.42 0.00 0.07 0.00 0.00 57.00 57.71 1a3l n GLN 166 Cb 0.53 -2.77 -0.03 0.00 2.41 0.00 0.00 30.24 30.38 1a3l n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1a3l s ASP 167 N 0.71 6.58 0.00 1.69 2.15 -0.38 -4.88 116.67 122.53 1a3l s ASP 167 Ca 0.68 2.64 0.16 0.00 0.43 0.00 0.00 52.55 56.47 1a3l s ASP 167 Cb -0.51 -2.60 0.78 0.00 -0.30 0.00 0.00 42.92 40.29 1a3l s ASP 167 CO 0.43 -0.81 1.49 0.35 -0.17 0.00 0.00 175.17 176.46 1a3l n THR 168 N 3.63 0.65 -0.04 1.71 -2.24 -1.26 -1.91 114.28 114.82 1a3l n THR 168 Ca 0.12 0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.98 1a3l n THR 168 Cb 0.39 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.69 1a3l n THR 168 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1a3l n LYS 169 N -1.36 0.20 0.00 -0.78 5.02 -1.26 -2.99 118.16 116.99 1a3l n LYS 169 Ca 0.06 0.09 0.10 0.00 -2.02 0.00 0.00 58.31 56.55 1a3l n LYS 169 Cb 0.15 -0.84 0.05 0.00 -0.02 0.00 0.00 35.03 34.36 1a3l n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1a3l n ASP 170 N -3.52 2.38 -1.89 4.39 5.68 -1.25 -4.93 116.55 117.41 1a3l n ASP 170 Ca -0.16 -1.69 -0.21 0.00 -0.50 0.00 0.00 54.79 52.23 1a3l n ASP 170 Cb 0.54 0.21 -0.06 0.00 -1.14 0.00 0.00 41.12 40.68 1a3l n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 1a3l n SER 171 N 0.64 -5.65 -4.36 -1.12 7.64 -0.80 -4.98 113.62 105.00 1a3l n SER 171 Ca 0.11 0.30 -0.19 0.00 1.01 0.00 0.00 58.87 60.10 1a3l n SER 171 Cb 0.48 -4.84 0.09 0.00 -1.01 0.00 0.00 64.21 58.93 1a3l n SER 171 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1a3l n THR 172 N -3.03 0.00 -4.32 0.44 -2.24 -1.26 -4.72 114.28 99.15 1a3l n THR 172 Ca -0.22 -1.49 -0.17 0.00 -2.27 0.00 0.00 64.05 59.90 1a3l n THR 172 Cb 0.68 -0.84 -0.10 0.00 -2.10 0.00 0.00 70.33 67.98 1a3l n THR 172 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1a3l s TYR 173 N -2.55 1.57 0.06 4.78 2.02 0.07 -1.25 117.35 122.05 1a3l s TYR 173 Ca 0.57 -0.66 -0.03 0.00 -0.37 0.00 0.00 57.07 56.58 1a3l s TYR 173 Cb -0.04 -0.77 -0.03 0.00 -0.40 0.00 0.00 41.96 40.72 1a3l s TYR 173 CO 0.38 0.24 0.02 -1.12 -1.57 0.00 0.00 175.55 173.49 1a3l s SER 174 N -3.28 0.40 -0.10 2.29 0.01 -1.26 -0.63 113.70 111.13 1a3l s SER 174 Ca 0.21 -0.94 -0.09 0.00 1.31 0.00 0.00 55.95 56.44 1a3l s SER 174 Cb 0.01 0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.50 1a3l s SER 174 CO 0.05 -0.64 0.27 -0.32 0.41 0.00 0.00 173.24 173.02 1a3l s MET 175 N -3.92 0.31 -0.01 12.44 1.75 0.98 -1.83 119.30 129.02 1a3l s MET 175 Ca 0.08 0.40 0.04 0.00 -1.25 0.00 0.00 55.69 54.95 1a3l s MET 175 Cb 0.07 0.13 -0.03 0.00 2.84 0.00 0.00 34.83 37.84 1a3l s MET 175 CO -0.09 -0.05 -0.11 -1.54 -0.65 0.00 0.00 175.02 172.58 1a3l s SER 176 N 0.25 4.32 -0.10 1.11 1.04 -0.30 -0.69 113.70 119.33 1a3l s SER 176 Ca -0.01 -0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.24 1a3l s SER 176 Cb -0.03 -0.94 0.01 0.00 0.10 0.00 0.00 66.02 65.17 1a3l s SER 176 CO -0.01 0.30 -0.14 -0.55 0.98 0.00 0.00 173.24 173.83 1a3l s SER 177 N -1.17 2.23 -0.11 7.02 0.15 0.06 -1.62 113.70 120.27 1a3l s SER 177 Ca 0.15 -0.38 0.01 0.00 0.70 0.00 0.00 55.95 56.43 1a3l s SER 177 Cb -0.11 -1.00 0.02 0.00 -1.71 0.00 0.00 66.02 63.22 1a3l s SER 177 CO 0.05 0.01 -0.13 -0.89 1.20 0.00 0.00 173.24 173.48 1a3l s THR 178 N 0.93 1.34 -0.36 6.45 2.01 0.67 -1.45 115.64 125.24 1a3l s THR 178 Ca -0.08 -0.54 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 1a3l s THR 178 Cb -0.15 -1.25 -0.01 0.00 0.01 0.00 0.00 72.50 71.10 1a3l s THR 178 CO -0.00 0.41 0.33 -0.22 -0.69 0.00 0.00 174.62 174.45 1a3l s LEU 179 N 1.12 4.58 -0.25 4.42 2.96 -0.63 -1.25 118.68 129.61 1a3l s LEU 179 Ca -0.05 -0.40 -0.06 0.00 -0.22 0.00 0.00 54.13 53.41 1a3l s LEU 179 Cb -0.14 -2.27 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1a3l s LEU 179 CO -0.03 -0.35 0.03 -0.89 -1.32 0.00 0.00 176.35 173.79 1a3l s THR 180 N 1.92 3.83 0.49 3.68 2.01 0.75 -0.46 115.64 127.86 1a3l s THR 180 Ca 0.10 -0.48 0.04 0.00 0.31 0.00 0.00 61.69 61.65 1a3l s THR 180 Cb -0.17 -2.84 -0.02 0.00 0.01 0.00 0.00 72.50 69.48 1a3l s THR 180 CO 0.11 0.28 0.12 -0.76 -0.69 0.00 0.00 174.62 173.68 1a3l s LEU 181 N 1.52 2.58 0.41 4.42 1.43 0.86 -4.73 118.68 125.18 1a3l s LEU 181 Ca 0.05 -1.44 -0.07 0.00 -1.03 0.00 0.00 54.13 51.64 1a3l s LEU 181 Cb -0.16 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1a3l s LEU 181 CO 0.01 -0.81 0.73 0.42 0.23 0.00 0.00 176.35 176.93 1a3l s THR 182 N -2.79 4.89 0.23 5.49 -4.23 -1.26 -0.95 115.64 117.03 1a3l s THR 182 Ca 0.21 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.96 1a3l s THR 182 Cb 0.02 -3.79 0.19 0.00 1.34 0.00 0.00 72.50 70.26 1a3l s THR 182 CO 0.12 -0.62 1.78 0.50 -0.54 0.00 0.00 174.62 175.86 1a3l h LYS 183 N 0.89 0.62 -0.24 3.99 3.64 -1.60 0.38 116.57 124.25 1a3l h LYS 183 Ca -0.47 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 58.93 1a3l h LYS 183 Cb 1.20 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 32.81 1a3l h LYS 183 CO 0.63 0.41 -0.22 0.22 -2.27 0.00 0.00 179.45 178.23 1a3l h ASP 184 N 0.64 -0.70 -0.36 4.20 1.82 -1.94 -1.13 116.42 118.95 1a3l h ASP 184 Ca 0.38 0.13 -0.09 0.00 -0.39 0.00 0.00 57.03 57.06 1a3l h ASP 184 Cb 0.41 0.34 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 1a3l h ASP 184 CO -0.28 -0.26 -0.07 -0.08 -1.61 0.00 0.00 179.24 176.94 1a3l h GLU 185 N -0.22 0.78 -0.80 0.28 4.81 -1.72 -2.88 114.58 114.84 1a3l h GLU 185 Ca 0.14 -0.24 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1a3l h GLU 185 Cb 0.43 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1a3l h GLU 185 CO -0.37 0.84 0.32 -0.92 -0.73 0.00 0.00 179.01 178.15 1a3l h TYR 186 N 0.72 1.22 0.00 0.92 3.20 0.07 -2.46 116.97 120.63 1a3l h TYR 186 Ca 0.13 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1a3l h TYR 186 Cb 0.54 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1a3l h TYR 186 CO 0.03 0.92 0.00 0.93 -1.64 0.00 0.00 178.16 178.40 1a3l h GLU 187 N 1.16 0.00 -0.01 1.82 5.08 -1.12 -3.01 114.58 118.51 1a3l h GLU 187 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1a3l h GLU 187 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1a3l h GLU 187 CO -0.02 0.00 -0.06 0.54 -1.00 0.00 0.00 179.01 178.47 1a3l n ARG 188 N -2.39 1.13 -4.27 2.33 1.74 -0.93 -4.89 116.66 109.39 1a3l n ARG 188 Ca 0.03 -0.46 -0.15 0.00 -0.77 0.00 0.00 57.85 56.50 1a3l n ARG 188 Cb 0.29 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.13 1a3l n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1a3l s HIS 189 N -2.19 1.34 -0.03 -1.55 3.76 -1.14 -5.09 115.29 110.38 1a3l s HIS 189 Ca 0.36 -1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 54.15 1a3l s HIS 189 Cb 0.21 -0.77 -0.02 0.00 1.11 0.00 0.00 32.58 33.11 1a3l s HIS 189 CO 0.40 -0.30 -0.04 -1.71 -0.85 0.00 0.00 174.74 172.25 1a3l n ASN 190 N -0.33 1.54 -4.65 1.40 4.05 -1.26 -4.80 115.26 111.20 1a3l n ASN 190 Ca -0.03 0.02 -0.35 0.00 0.45 0.00 0.00 54.58 54.67 1a3l n ASN 190 Cb 0.65 -0.08 -0.09 0.00 1.23 0.00 0.00 39.78 41.48 1a3l n ASN 190 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1a3l s SER 191 N -4.94 5.72 -0.11 1.20 1.04 -1.26 0.07 113.70 115.41 1a3l s SER 191 Ca -0.05 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.51 1a3l s SER 191 Cb 0.02 -1.98 0.02 0.00 0.10 0.00 0.00 66.02 64.17 1a3l s SER 191 CO 0.07 0.18 -0.14 -0.31 0.98 0.00 0.00 173.24 174.01 1a3l s TYR 192 N 0.33 1.94 -0.01 5.02 1.51 -0.14 -0.73 117.35 125.27 1a3l s TYR 192 Ca 0.04 -0.93 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 1a3l s TYR 192 Cb -0.12 -1.41 -0.00 0.00 -0.11 0.00 0.00 41.96 40.31 1a3l s TYR 192 CO -0.00 -0.49 -0.05 0.99 -1.11 0.00 0.00 175.55 174.88 1a3l s THR 193 N 1.07 0.43 -0.13 -0.71 2.01 -0.56 -1.06 115.64 116.69 1a3l s THR 193 Ca -0.05 -0.21 0.03 0.00 0.31 0.00 0.00 61.69 61.76 1a3l s THR 193 Cb -0.15 -0.37 0.01 0.00 0.01 0.00 0.00 72.50 72.00 1a3l s THR 193 CO -0.03 0.13 -0.21 0.00 -0.69 0.00 0.00 174.62 173.82 1a3l s GLU 195 N 0.80 2.66 -0.18 0.00 2.02 -0.12 -1.87 118.70 122.01 1a3l s GLU 195 Ca -0.08 -0.74 -0.08 0.00 0.02 0.00 0.00 54.97 54.10 1a3l s GLU 195 Cb -0.16 -2.09 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 1a3l s GLU 195 CO -0.01 0.08 0.07 0.00 0.02 0.00 0.00 175.26 175.41 1a3l s ALA 196 N 0.59 3.42 -0.17 5.21 0.00 0.54 -1.65 121.76 129.70 1a3l s ALA 196 Ca -0.14 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.09 1a3l s ALA 196 Cb -0.17 -1.93 0.02 0.00 0.00 0.00 0.00 23.12 21.04 1a3l s ALA 196 CO 0.04 0.18 -0.20 0.99 0.00 0.00 0.00 175.76 176.77 1a3l s THR 197 N 0.36 2.05 0.03 0.00 2.01 -0.65 -0.07 115.64 119.37 1a3l s THR 197 Ca 0.03 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 1a3l s THR 197 Cb -0.12 -1.85 -0.02 0.00 0.01 0.00 0.00 72.50 70.52 1a3l s THR 197 CO -0.00 0.54 -0.01 -2.28 -0.69 0.00 0.00 174.62 172.18 1a3l s HIS 198 N 1.24 0.30 -0.34 4.92 2.46 -1.26 -1.63 115.29 120.98 1a3l s HIS 198 Ca 0.04 -0.62 0.18 0.00 0.47 0.00 0.00 55.06 55.12 1a3l s HIS 198 Cb -0.13 -0.22 0.96 0.00 -0.13 0.00 0.00 32.58 33.06 1a3l s HIS 198 CO -0.12 -0.25 1.54 0.36 -2.47 0.00 0.00 174.74 173.81 1a3l n LYS 199 N 1.23 0.11 0.00 2.88 -0.00 -1.26 -2.09 118.16 119.03 1a3l n LYS 199 Ca -0.22 0.61 0.12 0.00 -0.00 0.00 0.00 58.31 58.82 1a3l n LYS 199 Cb 0.56 -1.88 0.64 0.00 -0.00 0.00 0.00 35.03 34.36 1a3l n LYS 199 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1a3l n THR 200 N -2.12 0.14 -3.64 0.58 -2.24 -1.26 -4.78 114.28 100.96 1a3l n THR 200 Ca -0.01 0.03 -0.09 0.00 -2.27 0.00 0.00 64.05 61.71 1a3l n THR 200 Cb 0.03 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.53 1a3l n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1a3l s SER 201 N -2.28 -0.43 0.57 3.42 0.15 -0.89 -4.99 113.70 109.26 1a3l s SER 201 Ca 0.29 0.81 0.37 0.00 0.70 0.00 0.00 55.95 58.12 1a3l s SER 201 Cb 0.16 0.81 1.72 0.00 -1.71 0.00 0.00 66.02 67.00 1a3l s SER 201 CO 0.31 -0.15 2.10 0.71 1.20 0.00 0.00 173.24 177.41 1a3l h THR 202 N 3.52 0.00 -3.36 6.45 1.35 -1.86 -3.41 112.91 115.60 1a3l h THR 202 Ca -0.28 -0.31 -0.60 0.00 -0.55 0.00 0.00 66.41 64.68 1a3l h THR 202 Cb 1.18 1.28 -0.12 0.00 -1.73 0.00 0.00 68.15 68.76 1a3l h THR 202 CO 0.12 0.00 -0.39 -0.44 -0.25 0.00 0.00 175.52 174.56 1a3l s SER 203 N -5.39 6.31 0.76 5.36 0.01 -1.26 -5.07 113.70 114.41 1a3l s SER 203 Ca -0.01 0.35 -0.15 0.00 1.31 0.00 0.00 55.95 57.46 1a3l s SER 203 Cb 0.10 -2.15 0.06 0.00 0.21 0.00 0.00 66.02 64.24 1a3l s SER 203 CO 0.48 0.09 1.23 -2.16 0.41 0.00 0.00 173.24 173.29 1a3l s PRO 204 N 0.66 1.91 -0.33 12.44 0.04 -1.26 -4.88 135.00 143.58 1a3l s PRO 204 Ca 0.13 1.84 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 1a3l s PRO 204 Cb -0.13 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 1a3l s PRO 204 CO 0.03 -2.03 0.39 0.42 0.04 0.00 0.00 177.00 175.85 1a3l s ILE 205 N -1.94 5.14 -0.20 0.56 1.01 0.90 -4.86 121.20 121.82 1a3l s ILE 205 Ca 0.76 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.55 1a3l s ILE 205 Cb -0.31 -3.82 -0.02 0.00 0.01 0.00 0.00 42.46 38.31 1a3l s ILE 205 CO 0.47 -0.07 -0.00 -0.69 0.00 0.00 0.00 174.94 174.65 1a3l s VAL 206 N 2.09 3.95 -0.03 2.92 1.01 -1.26 -0.34 120.40 128.75 1a3l s VAL 206 Ca 0.14 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1a3l s VAL 206 Cb -0.16 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.43 1a3l s VAL 206 CO 0.12 0.43 -0.21 -0.54 0.00 0.00 0.00 175.10 174.91 1a3l s LYS 207 N 0.94 1.83 0.20 2.72 -0.14 -0.78 -5.03 119.74 119.48 1a3l s LYS 207 Ca 0.01 -0.73 -0.06 0.00 -1.36 0.00 0.00 55.97 53.83 1a3l s LYS 207 Cb -0.14 -1.69 -0.02 0.00 -1.68 0.00 0.00 37.83 34.30 1a3l s LYS 207 CO 0.02 0.39 0.25 -1.54 -0.76 0.00 0.00 175.35 173.71 1a3l s SER 208 N -0.32 0.07 0.13 2.83 1.04 -1.26 -1.51 113.70 114.68 1a3l s SER 208 Ca 0.04 -1.16 -0.13 0.00 0.48 0.00 0.00 55.95 55.18 1a3l s SER 208 Cb -0.10 0.45 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1a3l s SER 208 CO 0.01 -0.93 0.34 0.72 0.98 0.00 0.00 173.24 174.35 1a3l s PHE 209 N -4.08 -0.00 -0.10 5.02 -0.71 -0.22 -5.01 117.98 112.88 1a3l s PHE 209 Ca 0.30 -0.36 0.04 0.00 -1.04 0.00 0.00 56.93 55.87 1a3l s PHE 209 Cb 0.04 0.14 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 1a3l s PHE 209 CO 0.09 -0.68 -0.23 -0.80 -1.34 0.00 0.00 175.22 172.25 1a3l s ASN 210 N -2.85 2.98 0.55 1.98 0.01 -1.26 -0.97 114.94 115.38 1a3l s ASN 210 Ca 0.06 -0.54 0.30 0.00 -0.71 0.00 0.00 52.86 51.97 1a3l s ASN 210 Cb 0.03 -1.36 1.46 0.00 0.41 0.00 0.00 41.25 41.79 1a3l s ASN 210 CO -0.09 0.15 1.90 -0.09 -1.51 0.00 0.00 177.10 177.45 1a3l h ARG 211 N 6.74 0.00 -0.03 -0.60 2.43 -0.68 -3.49 114.38 118.75 1a3l h ARG 211 Ca -0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 1a3l h ARG 211 Cb 1.23 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1a3l h ARG 211 CO 0.47 0.00 0.00 0.27 -1.51 0.00 0.00 179.97 179.20