#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a6t s LEU 4 N 0.00 2.20 -0.26 -0.35 1.43 -0.43 -5.01 118.68 116.25 3a6t s LEU 4 Ca 0.00 -0.58 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 3a6t s LEU 4 Cb 0.00 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 45.16 3a6t s LEU 4 CO 0.00 0.17 0.02 -1.10 0.23 0.00 0.00 176.35 175.68 3a6t s GLN 5 N -1.36 3.20 -0.09 1.70 -1.52 -1.26 -0.41 119.66 119.92 3a6t s GLN 5 Ca 0.09 -0.77 0.04 0.00 -1.95 0.00 0.00 55.36 52.77 3a6t s GLN 5 Cb -0.09 -3.21 -0.01 0.00 -0.22 0.00 0.00 33.01 29.47 3a6t s GLN 5 CO 0.02 -0.34 -0.20 0.42 -0.25 0.00 0.00 175.29 174.95 3a6t s ILE 6 N 1.48 2.46 -0.14 1.08 -1.09 0.60 -0.37 121.20 125.21 3a6t s ILE 6 Ca 0.04 -0.90 -0.01 0.00 -2.23 0.00 0.00 60.65 57.54 3a6t s ILE 6 Cb -0.16 -1.96 -0.02 0.00 -1.58 0.00 0.00 42.46 38.75 3a6t s ILE 6 CO 0.00 0.56 -0.10 0.00 -1.23 0.00 0.00 174.94 174.16 3a6t s ALA 7 N 0.02 2.71 0.08 9.38 0.00 0.04 -0.26 121.76 133.74 3a6t s ALA 7 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.01 3a6t s ALA 7 Cb -0.15 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.60 3a6t s ALA 7 CO 0.05 0.17 -0.10 0.14 0.00 0.00 0.00 175.76 176.02 3a6t s VAL 8 N 0.48 0.86 -0.11 0.00 -7.23 -0.40 -1.16 120.40 112.85 3a6t s VAL 8 Ca -0.08 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 58.58 3a6t s VAL 8 Cb -0.15 -1.23 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 3a6t s VAL 8 CO 0.04 -0.52 -0.17 -0.83 -0.31 0.00 0.00 175.10 173.31 3a6t s GLY 9 N -2.27 1.47 -0.62 2.32 0.00 0.13 -1.10 107.32 107.26 3a6t s GLY 9 Ca 0.03 -0.92 -0.18 0.00 0.00 0.00 0.00 44.72 43.64 3a6t s GLY 9 CO -0.00 -0.30 0.69 -0.42 0.00 0.00 0.00 173.10 173.08 3a6t s ILE 10 N 0.24 4.95 -0.57 0.90 1.01 0.17 -3.86 121.20 124.03 3a6t s ILE 10 Ca -0.11 -1.23 -0.22 0.00 0.00 0.00 0.00 60.65 59.09 3a6t s ILE 10 Cb -0.16 -4.48 0.06 0.00 0.01 0.00 0.00 42.46 37.89 3a6t s ILE 10 CO 0.06 -1.09 0.87 -0.63 0.00 0.00 0.00 174.94 174.14 3a6t s ILE 11 N 2.30 4.50 -0.17 2.92 1.01 -1.26 -0.27 121.20 130.23 3a6t s ILE 11 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.60 3a6t s ILE 11 Cb -0.23 -4.52 -0.02 0.00 0.01 0.00 0.00 42.46 37.70 3a6t s ILE 11 CO 0.04 -1.14 -0.07 -0.60 0.00 0.00 0.00 174.94 173.17 3a6t s ARG 12 N 3.62 3.49 0.76 2.79 3.52 -0.65 -0.99 118.95 131.49 3a6t s ARG 12 Ca 0.24 -0.60 -0.04 0.00 -0.13 0.00 0.00 55.73 55.20 3a6t s ARG 12 Cb -0.16 -2.86 0.16 0.00 -1.56 0.00 0.00 34.95 30.53 3a6t s ARG 12 CO 0.14 0.10 1.04 0.27 -0.81 0.00 0.00 175.30 176.04 3a6t n ASN 13 N 3.91 1.04 0.00 -2.12 0.23 -0.57 -4.52 115.26 113.23 3a6t n ASN 13 Ca -0.18 -1.96 0.07 0.00 -0.53 0.00 0.00 54.58 51.98 3a6t n ASN 13 Cb 0.52 -0.70 0.31 0.00 -2.08 0.00 0.00 39.78 37.82 3a6t n ASN 13 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 3a6t n GLU 14 N -2.99 0.02 -0.97 -3.83 0.28 -1.26 -2.54 120.64 109.35 3a6t n GLU 14 Ca 0.16 0.24 0.01 0.00 -0.16 0.00 0.00 57.16 57.42 3a6t n GLU 14 Cb 0.57 -1.50 0.36 0.00 1.43 0.00 0.00 31.44 32.30 3a6t n GLU 14 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3a6t n ASN 15 N -1.48 5.39 -3.65 -1.84 5.03 -1.26 -4.92 115.26 112.53 3a6t n ASN 15 Ca 0.04 -3.06 -0.27 0.00 0.87 0.00 0.00 54.58 52.16 3a6t n ASN 15 Cb 0.16 -0.72 0.04 0.00 -1.02 0.00 0.00 39.78 38.25 3a6t n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3a6t n ASN 16 N 0.29 -5.46 -4.50 6.41 5.15 -1.05 -4.91 115.26 111.19 3a6t n ASN 16 Ca 0.34 -0.60 -0.30 0.00 -0.60 0.00 0.00 54.58 53.42 3a6t n ASN 16 Cb 1.30 -4.35 -0.11 0.00 -0.53 0.00 0.00 39.78 36.09 3a6t n ASN 16 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3a6t s GLU 17 N -6.36 2.01 -0.04 1.20 2.02 -1.26 -1.56 118.70 114.71 3a6t s GLU 17 Ca 0.58 -1.04 0.05 0.00 0.02 0.00 0.00 54.97 54.57 3a6t s GLU 17 Cb -0.27 -2.20 -0.02 0.00 0.10 0.00 0.00 34.13 31.73 3a6t s GLU 17 CO 0.71 0.52 -0.18 0.42 0.02 0.00 0.00 175.26 176.74 3a6t s ILE 18 N -1.06 2.71 -0.43 -1.63 -1.09 0.10 -1.51 121.20 118.29 3a6t s ILE 18 Ca 0.17 -0.86 -0.26 0.00 -2.23 0.00 0.00 60.65 57.47 3a6t s ILE 18 Cb -0.11 -2.03 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 3a6t s ILE 18 CO 0.09 0.59 0.97 0.12 -1.23 0.00 0.00 174.94 175.47 3a6t s PHE 19 N -0.66 2.96 -0.05 3.97 5.36 -0.16 -0.34 117.98 129.06 3a6t s PHE 19 Ca 0.10 0.59 0.05 0.00 -0.96 0.00 0.00 56.93 56.71 3a6t s PHE 19 Cb -0.11 -3.94 -0.02 0.00 -0.34 0.00 0.00 43.02 38.62 3a6t s PHE 19 CO 0.00 -1.03 -0.18 0.42 -1.46 0.00 0.00 175.22 172.98 3a6t s ILE 20 N 3.78 2.78 0.34 3.12 -1.09 -0.17 -4.59 121.20 125.36 3a6t s ILE 20 Ca 0.39 -0.83 0.09 0.00 -2.23 0.00 0.00 60.65 58.08 3a6t s ILE 20 Cb -0.10 -2.06 -0.05 0.00 -1.58 0.00 0.00 42.46 38.66 3a6t s ILE 20 CO 0.24 0.58 0.02 0.42 -1.23 0.00 0.00 174.94 174.97 3a6t s THR 21 N -0.63 2.68 -0.10 2.92 -4.23 -0.97 -0.90 115.64 114.41 3a6t s THR 21 Ca 0.10 -1.96 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 3a6t s THR 21 Cb -0.11 -2.80 -0.01 0.00 1.34 0.00 0.00 72.50 70.92 3a6t s THR 21 CO 0.00 -0.21 -0.17 -0.60 -0.54 0.00 0.00 174.62 173.11 3a6t s ARG 22 N -3.72 3.01 0.48 3.99 3.52 -0.76 -0.79 118.95 124.69 3a6t s ARG 22 Ca 0.35 -0.75 -0.21 0.00 -0.13 0.00 0.00 55.73 54.99 3a6t s ARG 22 Cb -0.01 -2.46 -0.08 0.00 -1.56 0.00 0.00 34.95 30.85 3a6t s ARG 22 CO 0.19 0.33 1.07 1.03 -0.81 0.00 0.00 175.30 177.11 3a6t s ARG 23 N 0.03 3.78 0.75 5.12 0.52 0.22 -4.40 118.95 124.98 3a6t s ARG 23 Ca -0.06 1.49 -0.15 0.00 -0.52 0.00 0.00 55.73 56.49 3a6t s ARG 23 Cb -0.15 -2.20 0.05 0.00 0.52 0.00 0.00 34.95 33.17 3a6t s ARG 23 CO 0.05 -0.47 1.23 0.00 0.02 0.00 0.00 175.30 176.13 3a6t s ALA 24 N -1.83 2.05 0.43 2.13 0.00 -1.26 -1.84 121.76 121.43 3a6t s ALA 24 Ca 0.66 0.94 0.32 0.00 0.00 0.00 0.00 51.96 53.88 3a6t s ALA 24 Cb -0.20 -3.50 1.67 0.00 0.00 0.00 0.00 23.12 21.08 3a6t s ALA 24 CO 0.24 -2.01 2.13 0.00 0.00 0.00 0.00 175.76 176.13 3a6t h ALA 25 N -0.38 1.19 -0.53 0.00 0.00 -1.95 -2.62 119.26 114.97 3a6t h ALA 25 Ca -0.48 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3a6t h ALA 25 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3a6t h ALA 25 CO 0.49 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 3a6t n ASP 26 N -3.45 4.39 -4.93 0.00 3.85 -1.26 -4.71 116.55 110.45 3a6t n ASP 26 Ca -0.02 -2.50 -0.20 0.00 -0.71 0.00 0.00 54.79 51.37 3a6t n ASP 26 Cb 0.20 -0.53 -0.02 0.00 -1.35 0.00 0.00 41.12 39.43 3a6t n ASP 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a6t s ALA 27 N -1.93 4.17 0.46 2.12 0.00 -1.01 -5.02 121.76 120.54 3a6t s ALA 27 Ca 0.46 -1.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.47 3a6t s ALA 27 Cb 0.30 -1.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 3a6t s ALA 27 CO 0.20 -0.15 1.35 -1.58 0.00 0.00 0.00 175.76 175.57 3a6t s HIS 28 N -2.35 2.58 -1.33 0.00 2.46 -1.26 -1.54 115.29 113.85 3a6t s HIS 28 Ca 0.48 1.36 -0.04 0.00 0.47 0.00 0.00 55.06 57.33 3a6t s HIS 28 Cb -0.07 -3.76 0.02 0.00 -0.13 0.00 0.00 32.58 28.64 3a6t s HIS 28 CO 0.29 -2.51 0.89 -1.33 -2.47 0.00 0.00 174.74 169.61 3a6t n MET 29 N -0.29 -5.82 -1.69 2.88 2.81 -1.26 -4.88 117.12 108.87 3a6t n MET 29 Ca 0.06 0.69 -0.41 0.00 -1.81 0.00 0.00 57.70 56.23 3a6t n MET 29 Cb 0.44 -5.49 0.01 0.00 -0.71 0.00 0.00 33.22 27.47 3a6t n MET 29 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3a6t n ALA 30 N -4.42 1.10 -0.69 3.04 0.00 -0.59 -2.67 120.51 116.28 3a6t n ALA 30 Ca -0.19 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3a6t n ALA 30 Cb 0.63 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 17.85 3a6t n ALA 30 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3a6t n ASN 31 N 0.25 -0.68 -4.83 0.00 5.03 -0.77 -4.93 115.26 109.33 3a6t n ASN 31 Ca 0.07 0.00 -0.33 0.00 0.87 0.00 0.00 54.58 55.19 3a6t n ASN 31 Cb 0.39 -1.90 -0.06 0.00 -1.02 0.00 0.00 39.78 37.19 3a6t n ASN 31 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3a6t s LYS 32 N -0.81 4.15 0.55 3.52 -0.14 -1.09 -4.64 119.74 121.28 3a6t s LYS 32 Ca 0.00 1.03 -0.16 0.00 -1.36 0.00 0.00 55.97 55.48 3a6t s LYS 32 Cb 0.00 -2.21 -0.06 0.00 -1.68 0.00 0.00 37.83 33.88 3a6t s LYS 32 CO 0.00 -0.04 1.01 -0.51 -0.76 0.00 0.00 175.35 175.05 3a6t s LEU 33 N -3.30 3.56 0.23 3.17 1.43 0.36 -0.61 118.68 123.53 3a6t s LEU 33 Ca 0.60 1.66 -0.20 0.00 -1.03 0.00 0.00 54.13 55.17 3a6t s LEU 33 Cb -0.09 -4.52 0.03 0.00 0.03 0.00 0.00 46.19 41.64 3a6t s LEU 33 CO 0.17 -0.82 0.62 -1.83 0.23 0.00 0.00 176.35 174.71 3a6t s GLU 34 N -4.10 1.55 -0.05 1.70 -1.05 0.03 -4.14 118.70 112.64 3a6t s GLU 34 Ca 0.61 -0.87 -0.18 0.00 -0.15 0.00 0.00 54.97 54.38 3a6t s GLU 34 Cb -0.12 0.57 -0.05 0.00 -0.44 0.00 0.00 34.13 34.08 3a6t s GLU 34 CO 0.34 -0.68 0.49 -0.06 0.95 0.00 0.00 175.26 176.30 3a6t s PHE 35 N -3.88 3.63 0.33 4.83 0.08 -1.26 -2.29 117.98 119.42 3a6t s PHE 35 Ca 0.09 1.01 -0.28 0.00 0.12 0.00 0.00 56.93 57.87 3a6t s PHE 35 Cb -0.03 -2.49 -0.12 0.00 -0.57 0.00 0.00 43.02 39.81 3a6t s PHE 35 CO 0.00 0.37 1.32 -2.30 -0.10 0.00 0.00 175.22 174.51 3a6t n PRO 36 N 2.82 2.16 -3.22 0.24 -0.02 -1.25 -4.62 135.00 131.11 3a6t n PRO 36 Ca -0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 3a6t n PRO 36 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3a6t n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a6t n GLY 37 N 0.94 -1.37 2.98 -1.23 0.00 -1.26 -0.69 105.19 104.56 3a6t n GLY 37 Ca 0.05 -0.97 0.02 0.00 0.00 0.00 0.00 46.02 45.12 3a6t n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a6t n GLY 38 N -0.09 0.37 3.76 -0.02 0.00 -0.31 -4.97 105.19 103.92 3a6t n GLY 38 Ca 0.00 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.60 3a6t n GLY 38 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3a6t s LYS 39 N -2.01 4.34 -0.23 1.61 2.20 -1.26 -0.78 119.74 123.60 3a6t s LYS 39 Ca 0.22 2.20 -0.29 0.00 -0.36 0.00 0.00 55.97 57.74 3a6t s LYS 39 Cb -0.01 -3.11 0.01 0.00 -1.51 0.00 0.00 37.83 33.21 3a6t s LYS 39 CO 0.00 -0.26 1.06 0.42 -0.36 0.00 0.00 175.35 176.21 3a6t s ILE 40 N -0.53 4.64 0.56 5.43 1.01 0.50 -4.86 121.20 127.95 3a6t s ILE 40 Ca 0.54 1.97 -0.08 0.00 0.00 0.00 0.00 60.65 63.08 3a6t s ILE 40 Cb -0.40 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.76 3a6t s ILE 40 CO 0.47 -0.20 0.91 -1.61 0.00 0.00 0.00 174.94 174.50 3a6t s GLU 41 N 3.26 3.38 0.37 2.79 2.02 -1.26 -4.80 118.70 124.45 3a6t s GLU 41 Ca 0.45 0.34 -0.28 0.00 0.02 0.00 0.00 54.97 55.50 3a6t s GLU 41 Cb -0.15 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.73 3a6t s GLU 41 CO 0.07 -0.48 1.49 1.41 0.02 0.00 0.00 175.26 177.77 3a6t s MET 42 N -4.97 4.11 0.00 1.61 -2.45 -1.26 -1.90 119.30 114.44 3a6t s MET 42 Ca 0.52 2.57 0.00 0.00 -1.25 0.00 0.00 55.69 57.53 3a6t s MET 42 Cb -0.11 -2.97 0.00 0.00 1.25 0.00 0.00 34.83 33.00 3a6t s MET 42 CO 0.48 -0.53 0.00 0.41 1.05 0.00 0.00 175.02 176.43 3a6t n GLY 43 N 0.58 0.63 3.19 2.11 0.00 -1.26 -5.02 105.19 105.42 3a6t n GLY 43 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3a6t n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6t s GLU 44 N -0.05 1.41 0.50 1.61 2.12 -0.80 -5.15 118.70 118.35 3a6t s GLU 44 Ca 0.00 -0.70 -0.04 0.00 0.36 0.00 0.00 54.97 54.58 3a6t s GLU 44 Cb 0.00 -1.40 -0.02 0.00 0.26 0.00 0.00 34.13 32.97 3a6t s GLU 44 CO 0.00 0.38 0.80 0.95 -0.54 0.00 0.00 175.26 176.84 3a6t s THR 45 N -0.51 4.42 0.46 -1.70 -4.23 -1.26 -4.65 115.64 108.16 3a6t s THR 45 Ca 0.07 0.02 0.13 0.00 -1.18 0.00 0.00 61.69 60.73 3a6t s THR 45 Cb -0.07 -3.69 0.22 0.00 1.34 0.00 0.00 72.50 70.30 3a6t s THR 45 CO -0.00 -0.66 2.05 1.55 -0.54 0.00 0.00 174.62 177.02 3a6t h PRO 46 N 0.15 0.13 -0.38 3.99 0.13 -1.99 0.12 132.00 134.16 3a6t h PRO 46 Ca -0.46 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 3a6t h PRO 46 Cb 1.23 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3a6t h PRO 46 CO 0.61 0.18 -0.20 0.93 -0.23 0.00 0.00 178.00 179.29 3a6t h GLU 47 N 0.13 0.80 -0.14 0.86 3.07 -2.01 -2.40 114.58 114.90 3a6t h GLU 47 Ca 0.03 -0.36 -0.13 0.00 -0.50 0.00 0.00 59.36 58.40 3a6t h GLU 47 Cb 0.15 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.03 3a6t h GLU 47 CO 0.01 0.98 -0.49 1.96 -1.40 0.00 0.00 179.01 180.07 3a6t h GLN 48 N 0.60 0.37 -0.21 2.33 4.20 -1.79 -3.10 115.11 117.50 3a6t h GLN 48 Ca 0.08 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3a6t h GLN 48 Cb 0.75 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.54 3a6t h GLN 48 CO 0.06 0.78 0.10 0.00 -0.67 0.00 0.00 178.83 179.09 3a6t h ALA 49 N 1.19 0.27 -0.44 3.87 0.00 -0.63 -1.15 119.26 122.38 3a6t h ALA 49 Ca 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3a6t h ALA 49 Cb 0.97 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3a6t h ALA 49 CO 0.08 -0.16 0.09 -0.24 0.00 0.00 0.00 179.25 179.02 3a6t h VAL 50 N 0.20 1.20 -0.04 0.00 3.04 -1.45 0.12 116.25 119.33 3a6t h VAL 50 Ca 0.07 -0.73 -0.01 0.00 -1.01 0.00 0.00 66.70 65.03 3a6t h VAL 50 Cb 0.13 0.77 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 3a6t h VAL 50 CO -0.01 0.26 0.00 0.58 -1.01 0.00 0.00 177.57 177.40 3a6t h VAL 51 N 0.64 1.25 -0.27 1.51 2.07 -1.44 -1.72 116.25 118.28 3a6t h VAL 51 Ca 0.14 -0.75 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 3a6t h VAL 51 Cb 0.27 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3a6t h VAL 51 CO -0.00 0.20 0.14 -0.09 0.02 0.00 0.00 177.57 177.84 3a6t h ARG 52 N -0.22 0.39 -0.71 1.57 2.43 -0.90 -1.84 114.38 115.10 3a6t h ARG 52 Ca 0.01 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3a6t h ARG 52 Cb 0.32 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3a6t h ARG 52 CO 0.00 0.36 0.46 0.93 -1.51 0.00 0.00 179.97 180.21 3a6t h GLU 53 N 0.32 0.89 -0.14 0.20 4.39 -0.75 -0.25 114.58 119.24 3a6t h GLU 53 Ca 0.10 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.62 3a6t h GLU 53 Cb 0.09 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 3a6t h GLU 53 CO -0.01 0.59 -0.45 -0.07 -1.16 0.00 0.00 179.01 177.90 3a6t h LEU 54 N 0.92 0.36 -0.50 1.33 4.07 -1.20 0.15 115.31 120.43 3a6t h LEU 54 Ca 0.27 -0.16 -0.09 0.00 0.08 0.00 0.00 57.88 57.98 3a6t h LEU 54 Cb -0.05 -0.10 -0.02 0.00 1.08 0.00 0.00 40.66 41.57 3a6t h LEU 54 CO -0.08 0.76 -0.04 1.56 -1.08 0.00 0.00 178.44 179.56 3a6t h GLN 55 N 0.27 0.91 0.03 1.13 4.20 -0.87 -0.36 115.11 120.42 3a6t h GLN 55 Ca 0.02 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.42 3a6t h GLN 55 Cb 0.91 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.61 3a6t h GLN 55 CO 0.07 0.96 -0.02 0.93 -0.67 0.00 0.00 178.83 180.11 3a6t h GLU 56 N 0.76 -0.04 0.14 1.46 5.08 -0.85 -2.85 114.58 118.29 3a6t h GLU 56 Ca 0.14 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.22 3a6t h GLU 56 Cb 0.58 0.01 0.03 0.00 0.50 0.00 0.00 28.75 29.86 3a6t h GLU 56 CO 0.03 0.41 -1.18 0.93 -1.00 0.00 0.00 179.01 178.21 3a6t h GLU 57 N -0.51 0.55 0.00 2.33 5.08 -0.73 -3.41 114.58 117.89 3a6t h GLU 57 Ca -0.00 -0.78 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 3a6t h GLU 57 Cb 0.47 0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3a6t h GLU 57 CO 0.01 1.35 0.00 1.33 -1.00 0.00 0.00 179.01 180.70 3a6t n VAL 58 N -3.87 0.35 -2.22 3.13 0.24 -0.26 -2.71 118.33 112.99 3a6t n VAL 58 Ca -0.14 -0.50 -0.11 0.00 -2.04 0.00 0.00 64.34 61.55 3a6t n VAL 58 Cb 0.96 0.99 -0.00 0.00 -1.47 0.00 0.00 33.84 34.31 3a6t n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a6t n GLY 59 N -0.18 -0.06 3.28 7.63 0.00 -0.51 -1.85 105.19 113.51 3a6t n GLY 59 Ca 0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3a6t n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a6t s ILE 60 N -2.54 1.49 -0.32 -0.61 -4.36 -1.17 -4.34 121.20 109.35 3a6t s ILE 60 Ca 0.01 -1.94 -0.04 0.00 -0.26 0.00 0.00 60.65 58.43 3a6t s ILE 60 Cb -0.00 -1.77 0.05 0.00 1.25 0.00 0.00 42.46 41.99 3a6t s ILE 60 CO 0.01 -0.50 0.05 -0.89 0.24 0.00 0.00 174.94 173.85 3a6t s THR 61 N -2.54 3.32 0.32 8.37 2.01 -0.32 -2.56 115.64 124.25 3a6t s THR 61 Ca 0.15 -1.32 -0.29 0.00 0.31 0.00 0.00 61.69 60.53 3a6t s THR 61 Cb -0.03 -2.92 -0.11 0.00 0.01 0.00 0.00 72.50 69.46 3a6t s THR 61 CO 0.04 -0.17 1.52 -2.84 -0.69 0.00 0.00 174.62 172.48 3a6t s PRO 62 N 1.31 4.15 -0.00 4.92 0.02 -1.26 -1.56 135.00 142.57 3a6t s PRO 62 Ca -0.03 2.52 0.02 0.00 0.02 0.00 0.00 61.00 63.54 3a6t s PRO 62 Cb -0.20 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.30 3a6t s PRO 62 CO 0.00 -0.54 -0.08 -0.65 -0.33 0.00 0.00 177.00 175.40 3a6t s GLN 63 N -1.21 0.64 -1.23 5.54 -0.21 -0.43 -4.89 119.66 117.87 3a6t s GLN 63 Ca 0.58 -0.31 -0.20 0.00 0.02 0.00 0.00 55.36 55.45 3a6t s GLN 63 Cb -0.46 -0.61 0.01 0.00 1.00 0.00 0.00 33.01 32.94 3a6t s GLN 63 CO 0.54 0.17 0.65 1.58 -2.12 0.00 0.00 175.29 176.10 3a6t n HIS 64 N 2.82 -1.67 -3.31 0.91 -0.00 -1.26 -4.07 115.22 108.64 3a6t n HIS 64 Ca -0.14 0.40 -0.19 0.00 -0.00 0.00 0.00 57.72 57.80 3a6t n HIS 64 Cb 0.57 -3.27 -0.01 0.00 -0.00 0.00 0.00 29.99 27.28 3a6t n HIS 64 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3a6t s PHE 65 N -3.63 2.82 0.11 1.57 -0.71 -1.26 -4.73 117.98 112.15 3a6t s PHE 65 Ca 0.37 -0.40 0.03 0.00 -1.04 0.00 0.00 56.93 55.88 3a6t s PHE 65 Cb -0.16 -2.22 -0.04 0.00 -1.21 0.00 0.00 43.02 39.39 3a6t s PHE 65 CO 0.91 -0.23 -0.08 -1.54 -1.34 0.00 0.00 175.22 172.94 3a6t s SER 66 N -4.23 1.32 -0.48 1.98 1.04 -1.03 -4.98 113.70 107.33 3a6t s SER 66 Ca 0.50 -0.99 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 3a6t s SER 66 Cb -0.07 0.06 0.03 0.00 0.10 0.00 0.00 66.02 66.14 3a6t s SER 66 CO 0.31 -0.42 1.02 -0.22 0.98 0.00 0.00 173.24 174.91 3a6t s LEU 67 N -3.03 3.84 0.07 2.42 2.96 -1.26 -0.31 118.68 123.36 3a6t s LEU 67 Ca 0.13 0.24 -0.13 0.00 -0.22 0.00 0.00 54.13 54.15 3a6t s LEU 67 Cb 0.04 -3.33 -0.26 0.00 0.50 0.00 0.00 46.19 43.14 3a6t s LEU 67 CO -0.03 -1.15 1.14 0.15 -1.32 0.00 0.00 176.35 175.13 3a6t h PHE 68 N 9.17 0.97 -1.73 5.38 3.57 -0.83 -3.47 116.94 129.99 3a6t h PHE 68 Ca -0.24 -0.59 0.03 0.00 3.53 0.00 0.00 57.97 60.70 3a6t h PHE 68 Cb 1.07 -0.08 -0.22 0.00 2.79 0.00 0.00 35.95 39.51 3a6t h PHE 68 CO 0.92 1.43 0.40 -2.00 -2.23 0.00 0.00 178.31 176.83 3a6t s GLU 69 N -3.05 0.76 -0.05 1.11 2.56 -0.89 -5.02 118.70 114.12 3a6t s GLU 69 Ca -0.09 0.24 -0.00 0.00 0.00 0.00 0.00 54.97 55.12 3a6t s GLU 69 Cb 0.06 0.36 0.03 0.00 2.00 0.00 0.00 34.13 36.58 3a6t s GLU 69 CO 0.92 -0.22 -0.01 0.21 -0.56 0.00 0.00 175.26 175.60 3a6t s LYS 70 N -1.00 0.61 0.18 4.30 2.20 -1.26 0.17 119.74 124.94 3a6t s LYS 70 Ca -0.05 0.04 -0.09 0.00 -0.36 0.00 0.00 55.97 55.51 3a6t s LYS 70 Cb -0.01 -0.82 -0.01 0.00 -1.51 0.00 0.00 37.83 35.48 3a6t s LYS 70 CO 0.04 -0.19 0.29 -0.48 -0.36 0.00 0.00 175.35 174.65 3a6t s LEU 71 N 1.43 0.91 -0.01 5.43 0.05 -0.69 -4.99 118.68 120.80 3a6t s LEU 71 Ca -0.03 -0.93 0.08 0.00 0.05 0.00 0.00 54.13 53.29 3a6t s LEU 71 Cb -0.13 1.18 -0.02 0.00 -2.05 0.00 0.00 46.19 45.16 3a6t s LEU 71 CO -0.03 -0.92 -0.25 -1.61 -0.55 0.00 0.00 176.35 173.00 3a6t s GLU 72 N -3.99 2.07 -0.01 1.48 2.02 -1.26 -0.15 118.70 118.85 3a6t s GLU 72 Ca 0.20 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.24 3a6t s GLU 72 Cb 0.03 -2.06 0.01 0.00 0.10 0.00 0.00 34.13 32.21 3a6t s GLU 72 CO 0.02 0.55 -0.01 -0.47 0.02 0.00 0.00 175.26 175.37 3a6t s TYR 73 N -0.67 0.22 -0.41 1.61 6.14 -0.25 -5.01 117.35 118.99 3a6t s TYR 73 Ca 0.11 -0.01 -0.14 0.00 0.64 0.00 0.00 57.07 57.67 3a6t s TYR 73 Cb -0.10 -0.22 0.04 0.00 0.42 0.00 0.00 41.96 42.09 3a6t s TYR 73 CO -0.00 -0.05 0.29 -2.00 0.64 0.00 0.00 175.55 174.43 3a6t s GLU 74 N 0.34 2.90 0.66 4.97 2.12 -1.26 -1.62 118.70 126.81 3a6t s GLU 74 Ca -0.03 -1.12 -0.06 0.00 0.36 0.00 0.00 54.97 54.11 3a6t s GLU 74 Cb -0.06 -3.93 0.04 0.00 0.26 0.00 0.00 34.13 30.45 3a6t s GLU 74 CO -0.01 -0.80 0.97 -0.06 -0.54 0.00 0.00 175.26 174.82 3a6t s PHE 75 N 1.62 3.07 0.54 5.30 0.08 0.98 -4.97 117.98 124.60 3a6t s PHE 75 Ca 0.04 0.54 0.26 0.00 0.12 0.00 0.00 56.93 57.89 3a6t s PHE 75 Cb -0.20 -3.00 1.43 0.00 -0.57 0.00 0.00 43.02 40.68 3a6t s PHE 75 CO 0.08 -1.16 1.99 -1.00 -0.10 0.00 0.00 175.22 175.04 3a6t h PRO 76 N -0.42 0.00 0.00 0.24 0.13 -2.05 -3.09 132.00 126.81 3a6t h PRO 76 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3a6t h PRO 76 Cb 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 3a6t h PRO 76 CO 0.60 0.00 -0.04 -0.40 -0.23 0.00 0.00 178.00 177.94 3a6t n ASP 77 N -4.27 1.18 -3.53 1.44 3.85 -1.26 -5.08 116.55 108.88 3a6t n ASP 77 Ca 0.09 -1.75 -0.14 0.00 -0.71 0.00 0.00 54.79 52.28 3a6t n ASP 77 Cb 0.60 -0.06 -0.05 0.00 -1.35 0.00 0.00 41.12 40.26 3a6t n ASP 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3a6t s ARG 78 N -0.76 0.91 -0.16 0.11 1.70 -1.17 -5.02 118.95 114.56 3a6t s ARG 78 Ca 0.03 0.08 -0.02 0.00 -0.47 0.00 0.00 55.73 55.36 3a6t s ARG 78 Cb 0.03 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 3a6t s ARG 78 CO 0.00 -0.31 -0.08 -1.58 -1.08 0.00 0.00 175.30 172.25 3a6t s HIS 79 N -1.64 2.91 0.05 5.89 5.65 -1.26 -0.02 115.29 126.87 3a6t s HIS 79 Ca -0.05 -0.61 0.05 0.00 0.25 0.00 0.00 55.06 54.70 3a6t s HIS 79 Cb -0.00 -1.94 -0.02 0.00 -1.18 0.00 0.00 32.58 29.43 3a6t s HIS 79 CO 0.03 -0.24 -0.14 0.96 -0.65 0.00 0.00 174.74 174.70 3a6t s ILE 80 N 0.62 1.12 -0.22 0.89 -4.36 -0.64 -1.32 121.20 117.29 3a6t s ILE 80 Ca -0.05 -1.08 -0.05 0.00 -0.26 0.00 0.00 60.65 59.21 3a6t s ILE 80 Cb -0.15 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.51 3a6t s ILE 80 CO 0.03 -0.04 -0.00 -0.89 0.24 0.00 0.00 174.94 174.27 3a6t s THR 81 N -0.95 3.82 -0.16 8.37 2.01 0.45 -1.09 115.64 128.09 3a6t s THR 81 Ca 0.01 -0.35 -0.05 0.00 0.31 0.00 0.00 61.69 61.61 3a6t s THR 81 Cb -0.08 -2.74 -0.03 0.00 0.01 0.00 0.00 72.50 69.65 3a6t s THR 81 CO 0.01 0.41 0.01 -0.76 -0.69 0.00 0.00 174.62 173.60 3a6t s LEU 82 N 1.31 3.51 -0.38 4.42 1.43 0.78 -0.30 118.68 129.45 3a6t s LEU 82 Ca 0.04 -0.02 -0.07 0.00 -1.03 0.00 0.00 54.13 53.05 3a6t s LEU 82 Cb -0.15 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.28 3a6t s LEU 82 CO 0.01 0.19 0.18 0.26 0.23 0.00 0.00 176.35 177.22 3a6t s TRP 83 N 0.23 3.34 -0.47 0.29 0.52 0.63 -1.71 118.94 121.79 3a6t s TRP 83 Ca 0.00 -1.65 -0.19 0.00 0.02 0.00 0.00 56.10 54.28 3a6t s TRP 83 Cb -0.13 -2.72 0.04 0.00 -1.15 0.00 0.00 33.47 29.51 3a6t s TRP 83 CO 0.02 -0.82 0.61 -0.06 0.02 0.00 0.00 176.95 176.71 3a6t s PHE 84 N 1.36 3.07 -0.18 -1.98 0.08 0.13 -1.27 117.98 119.19 3a6t s PHE 84 Ca 0.02 -0.34 -0.10 0.00 0.12 0.00 0.00 56.93 56.63 3a6t s PHE 84 Cb -0.22 -3.37 -0.05 0.00 -0.57 0.00 0.00 43.02 38.81 3a6t s PHE 84 CO 0.01 -0.93 0.16 -1.58 -0.10 0.00 0.00 175.22 172.79 3a6t s TRP 85 N 2.64 3.45 -0.30 0.36 0.52 -0.26 -0.10 118.94 125.25 3a6t s TRP 85 Ca 0.17 0.41 -0.23 0.00 0.02 0.00 0.00 56.10 56.47 3a6t s TRP 85 Cb -0.17 -2.17 0.00 0.00 -1.15 0.00 0.00 33.47 29.99 3a6t s TRP 85 CO 0.15 0.34 0.79 -1.17 0.02 0.00 0.00 176.95 177.08 3a6t s LEU 86 N 0.19 4.09 -0.35 2.99 2.96 0.57 0.43 118.68 129.55 3a6t s LEU 86 Ca 0.11 0.67 -0.04 0.00 -0.22 0.00 0.00 54.13 54.65 3a6t s LEU 86 Cb -0.12 -3.08 0.07 0.00 0.50 0.00 0.00 46.19 43.56 3a6t s LEU 86 CO -0.00 -0.61 0.10 -0.69 -1.32 0.00 0.00 176.35 173.83 3a6t s VAL 87 N 2.95 3.34 -0.84 1.68 1.01 0.62 -2.46 120.40 126.71 3a6t s VAL 87 Ca 0.32 -1.54 0.10 0.00 0.00 0.00 0.00 61.98 60.87 3a6t s VAL 87 Cb -0.14 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 3a6t s VAL 87 CO 0.12 -0.33 0.59 -0.62 0.00 0.00 0.00 175.10 174.87 3a6t n GLU 88 N 4.67 2.46 -4.14 2.72 1.02 -1.26 -1.64 120.64 124.48 3a6t n GLU 88 Ca -0.09 -0.47 -0.16 0.00 -0.02 0.00 0.00 57.16 56.42 3a6t n GLU 88 Cb 0.43 -1.07 -0.14 0.00 -0.02 0.00 0.00 31.44 30.64 3a6t n GLU 88 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3a6t s ARG 89 N -1.53 0.40 -0.03 3.49 3.52 -1.26 -4.92 118.95 118.62 3a6t s ARG 89 Ca 0.07 -0.17 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 3a6t s ARG 89 Cb 0.08 -0.39 0.11 0.00 -1.56 0.00 0.00 34.95 33.19 3a6t s ARG 89 CO 0.30 0.10 1.00 1.67 -0.81 0.00 0.00 175.30 177.56 3a6t s TRP 90 N -0.08 -0.24 -0.14 5.12 -2.14 -1.26 -1.32 118.94 118.88 3a6t s TRP 90 Ca 0.02 0.10 -0.06 0.00 2.66 0.00 0.00 56.10 58.81 3a6t s TRP 90 Cb -0.02 0.55 -0.04 0.00 -3.10 0.00 0.00 33.47 30.86 3a6t s TRP 90 CO -0.00 -0.49 0.09 -1.21 -2.66 0.00 0.00 176.95 172.69 3a6t s GLU 91 N -2.93 3.58 0.00 3.25 2.02 -0.60 -4.92 118.70 119.10 3a6t s GLU 91 Ca 0.08 -0.25 0.00 0.00 0.02 0.00 0.00 54.97 54.82 3a6t s GLU 91 Cb -0.01 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 31.08 3a6t s GLU 91 CO -0.06 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.21 3a6t n GLY 92 N 2.58 0.67 3.02 -1.39 0.00 -1.26 -1.17 105.19 107.63 3a6t n GLY 92 Ca -0.18 -2.14 -0.30 0.00 0.00 0.00 0.00 46.02 43.40 3a6t n GLY 92 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a6t s GLU 93 N -1.16 2.25 0.34 1.61 2.56 -1.26 -4.96 118.70 118.08 3a6t s GLU 93 Ca 0.00 -0.61 -0.29 0.00 0.00 0.00 0.00 54.97 54.07 3a6t s GLU 93 Cb 0.00 -2.17 -0.11 0.00 2.00 0.00 0.00 34.13 33.85 3a6t s GLU 93 CO 0.00 -0.27 1.51 -2.14 -0.56 0.00 0.00 175.26 173.80 3a6t s PRO 94 N 1.47 4.14 0.29 4.30 0.02 -1.26 -4.77 135.00 139.20 3a6t s PRO 94 Ca 0.04 2.54 -0.14 0.00 0.02 0.00 0.00 61.00 63.45 3a6t s PRO 94 Cb -0.13 -3.00 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3a6t s PRO 94 CO -0.10 -0.54 0.60 1.67 -0.33 0.00 0.00 177.00 178.30 3a6t s TRP 95 N -0.69 0.27 -1.46 6.54 1.48 -0.77 -5.05 118.94 119.27 3a6t s TRP 95 Ca 0.56 -0.70 -0.14 0.00 -1.06 0.00 0.00 56.10 54.76 3a6t s TRP 95 Cb -0.46 0.40 0.04 0.00 -1.16 0.00 0.00 33.47 32.29 3a6t s TRP 95 CO 0.56 -1.18 2.22 0.41 -4.06 0.00 0.00 176.95 174.90 3a6t n GLY 96 N -0.46 4.42 0.31 3.67 0.00 -1.26 -4.20 105.19 107.68 3a6t n GLY 96 Ca -0.03 -1.60 0.12 0.00 0.00 0.00 0.00 46.02 44.51 3a6t n GLY 96 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3a6t h LYS 97 N 6.00 0.08 -0.63 1.61 3.64 -1.79 -0.36 116.57 125.12 3a6t h LYS 97 Ca 0.57 -0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.82 3a6t h LYS 97 Cb 0.64 -0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 3a6t h LYS 97 CO 1.88 0.05 0.14 0.39 -2.27 0.00 0.00 179.45 179.65 3a6t n GLU 98 N -4.48 4.06 -0.99 1.90 1.02 -1.24 -4.90 120.64 116.01 3a6t n GLU 98 Ca 0.03 -3.11 0.00 0.00 -0.02 0.00 0.00 57.16 54.06 3a6t n GLU 98 Cb 0.28 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 3a6t n GLU 98 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a6t n GLY 99 N 0.07 0.40 3.90 0.62 0.00 -0.15 -5.02 105.19 105.01 3a6t n GLY 99 Ca 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.09 3a6t n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3a6t s GLN 100 N -0.46 3.60 0.28 1.61 0.00 -1.26 -5.04 119.66 118.39 3a6t s GLN 100 Ca 0.00 0.23 -0.29 0.00 -0.00 0.00 0.00 55.36 55.30 3a6t s GLN 100 Cb 0.00 -2.41 -0.10 0.00 0.00 0.00 0.00 33.01 30.51 3a6t s GLN 100 CO 0.00 -0.13 1.19 -2.14 0.00 0.00 0.00 175.29 174.21 3a6t s PRO 101 N -4.46 4.51 -0.14 9.60 0.02 -1.26 -4.37 135.00 138.91 3a6t s PRO 101 Ca 0.48 1.96 -0.16 0.00 0.02 0.00 0.00 61.00 63.30 3a6t s PRO 101 Cb -0.10 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.30 3a6t s PRO 101 CO 0.41 0.01 0.43 0.20 -0.33 0.00 0.00 177.00 177.72 3a6t s GLY 102 N -0.53 -0.32 0.03 0.52 0.00 -1.26 -1.82 107.32 103.95 3a6t s GLY 102 Ca 0.48 1.13 -0.28 0.00 0.00 0.00 0.00 44.72 46.05 3a6t s GLY 102 CO 0.44 0.95 0.85 -1.83 0.00 0.00 0.00 173.10 173.51 3a6t s GLU 103 N 0.01 0.92 0.11 2.90 -1.05 -0.08 -4.86 118.70 116.64 3a6t s GLU 103 Ca -0.02 -0.35 -0.30 0.00 -0.15 0.00 0.00 54.97 54.15 3a6t s GLU 103 Cb -0.03 0.41 -0.06 0.00 -0.44 0.00 0.00 34.13 34.01 3a6t s GLU 103 CO 0.01 -0.40 0.97 -1.58 0.95 0.00 0.00 175.26 175.21 3a6t s TRP 104 N -3.23 3.79 -0.06 4.83 0.52 -1.26 -1.00 118.94 122.53 3a6t s TRP 104 Ca 0.05 1.78 0.02 0.00 0.02 0.00 0.00 56.10 57.97 3a6t s TRP 104 Cb -0.01 -3.07 0.01 0.00 -1.15 0.00 0.00 33.47 29.25 3a6t s TRP 104 CO -0.09 0.14 -0.11 -1.64 0.02 0.00 0.00 176.95 175.28 3a6t s MET 105 N 0.05 1.50 0.35 4.98 -1.94 0.53 -4.88 119.30 119.89 3a6t s MET 105 Ca 0.47 -0.36 -0.29 0.00 -1.71 0.00 0.00 55.69 53.81 3a6t s MET 105 Cb -0.24 -1.28 -0.11 0.00 2.01 0.00 0.00 34.83 35.21 3a6t s MET 105 CO 0.30 0.02 1.48 0.43 -0.01 0.00 0.00 175.02 177.24 3a6t n SER 106 N 3.80 3.60 -0.24 3.03 7.64 -1.26 0.02 113.62 130.21 3a6t n SER 106 Ca -0.23 1.20 -0.06 0.00 1.01 0.00 0.00 58.87 60.80 3a6t n SER 106 Cb 0.52 -1.58 0.05 0.00 -1.01 0.00 0.00 64.21 62.18 3a6t n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3a6t h LEU 107 N 3.37 0.78 -2.06 -3.43 5.85 -1.64 -2.30 115.31 115.88 3a6t h LEU 107 Ca -0.49 -0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.17 3a6t h LEU 107 Cb 1.25 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3a6t h LEU 107 CO 0.68 0.59 -0.09 1.62 -0.34 0.00 0.00 178.44 180.90 3a6t h VAL 108 N 0.89 0.65 -0.01 1.05 3.04 -1.90 -2.60 116.25 117.38 3a6t h VAL 108 Ca 0.24 -0.35 0.00 0.00 -1.01 0.00 0.00 66.70 65.57 3a6t h VAL 108 Cb -0.06 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 3a6t h VAL 108 CO -0.05 0.08 -0.30 0.61 -1.01 0.00 0.00 177.57 176.91 3a6t n GLY 109 N -0.97 -0.77 3.74 3.17 0.00 -0.88 -4.94 105.19 104.55 3a6t n GLY 109 Ca -0.02 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 3a6t n GLY 109 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3a6t n LEU 110 N -0.85 4.30 -4.16 0.99 4.77 -0.98 -4.98 117.00 116.09 3a6t n LEU 110 Ca 0.11 1.16 -0.35 0.00 -0.03 0.00 0.00 56.01 56.90 3a6t n LEU 110 Cb 0.34 -1.58 -0.14 0.00 -2.33 0.00 0.00 43.42 39.71 3a6t n LEU 110 CO 0.28 0.08 -0.35 0.21 -1.33 0.00 0.00 177.39 176.27 3a6t s ASN 111 N 0.35 4.87 0.53 -1.43 3.84 -1.26 -4.99 114.94 116.85 3a6t s ASN 111 Ca 0.62 -1.35 0.31 0.00 0.21 0.00 0.00 52.86 52.65 3a6t s ASN 111 Cb -0.51 -1.70 1.46 0.00 -0.55 0.00 0.00 41.25 39.95 3a6t s ASN 111 CO 0.52 -0.27 1.89 0.00 -2.79 0.00 0.00 177.10 176.45 3a6t h ALA 112 N 7.97 2.80 0.00 1.71 0.00 -1.95 0.19 119.26 129.99 3a6t h ALA 112 Ca -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3a6t h ALA 112 Cb 1.06 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a6t h ALA 112 CO 0.53 -1.05 0.00 -0.44 0.00 0.00 0.00 179.25 178.29 3a6t h ASP 113 N 0.02 0.00 1.63 0.00 3.32 -1.95 -2.05 116.42 117.39 3a6t h ASP 113 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3a6t h ASP 113 Cb 1.65 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.20 3a6t h ASP 113 CO -0.01 0.00 -0.01 0.44 -1.72 0.00 0.00 179.24 177.94 3a6t h ASP 114 N 0.00 0.00 -1.59 6.45 3.45 -1.01 -3.46 116.42 120.25 3a6t h ASP 114 Ca 0.00 -0.00 -0.50 0.00 0.43 0.00 0.00 57.03 56.96 3a6t h ASP 114 Cb 0.27 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.00 3a6t h ASP 114 CO 0.00 0.00 -0.40 -0.36 -1.57 0.00 0.00 179.24 176.91 3a6t s PHE 115 N -3.14 2.74 0.61 4.55 0.40 -0.77 -0.49 117.98 121.88 3a6t s PHE 115 Ca 0.09 -0.46 -0.19 0.00 -0.60 0.00 0.00 56.93 55.77 3a6t s PHE 115 Cb 0.10 -2.08 -0.02 0.00 0.51 0.00 0.00 43.02 41.53 3a6t s PHE 115 CO 0.62 -0.03 1.32 -2.14 0.70 0.00 0.00 175.22 175.69 3a6t s PRO 116 N -4.08 2.76 0.62 0.24 0.02 -1.26 -4.85 135.00 128.45 3a6t s PRO 116 Ca 0.46 2.13 0.33 0.00 0.02 0.00 0.00 61.00 63.94 3a6t s PRO 116 Cb -0.03 -1.99 1.84 0.00 0.02 0.00 0.00 34.50 34.34 3a6t s PRO 116 CO 0.27 -1.46 2.15 -1.00 -0.33 0.00 0.00 177.00 176.63 3a6t h PRO 117 N 0.87 0.00 0.00 5.54 0.13 -1.95 -1.35 132.00 135.24 3a6t h PRO 117 Ca -0.51 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 3a6t h PRO 117 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 3a6t h PRO 117 CO 0.55 0.00 -0.09 0.00 -0.23 0.00 0.00 178.00 178.23 3a6t h ALA 118 N 1.77 1.25 0.00 -0.56 0.00 -1.97 -2.61 119.26 117.14 3a6t h ALA 118 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3a6t h ALA 118 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3a6t h ALA 118 CO -0.00 0.11 -0.05 0.09 0.00 0.00 0.00 179.25 179.40 3a6t n ASN 119 N -3.56 0.30 -0.38 0.00 4.13 -0.51 -4.46 115.26 110.78 3a6t n ASN 119 Ca -0.02 0.46 -0.11 0.00 1.68 0.00 0.00 54.58 56.60 3a6t n ASN 119 Cb 0.22 -0.52 -0.10 0.00 -1.54 0.00 0.00 39.78 37.84 3a6t n ASN 119 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3a6t h GLU 120 N 0.00 -0.05 -0.11 3.52 4.39 -1.61 0.37 114.58 121.09 3a6t h GLU 120 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3a6t h GLU 120 Cb 0.58 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.23 3a6t h GLU 120 CO 0.00 -0.03 -0.08 -1.00 -1.16 0.00 0.00 179.01 176.74 3a6t h PRO 121 N -0.05 0.16 -0.18 2.33 0.13 -1.84 -2.13 132.00 130.42 3a6t h PRO 121 Ca 0.16 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 65.12 3a6t h PRO 121 Cb 0.44 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.54 3a6t h PRO 121 CO -0.90 0.25 -0.42 0.28 -0.23 0.00 0.00 178.00 176.98 3a6t h VAL 122 N 0.16 1.33 -0.66 1.56 2.07 -1.45 -0.77 116.25 118.49 3a6t h VAL 122 Ca 0.04 -1.67 -0.00 0.00 0.82 0.00 0.00 66.70 65.89 3a6t h VAL 122 Cb 0.24 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3a6t h VAL 122 CO 0.01 0.51 0.40 0.40 0.02 0.00 0.00 177.57 178.92 3a6t h ILE 123 N 0.26 1.19 -0.12 4.57 1.08 -0.78 0.33 117.51 124.04 3a6t h ILE 123 Ca -0.00 -0.40 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 3a6t h ILE 123 Cb 1.03 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 3a6t h ILE 123 CO 0.09 0.19 0.05 0.00 -0.69 0.00 0.00 178.15 177.80 3a6t h ALA 124 N 1.21 0.16 -0.64 1.87 0.00 -1.33 -2.69 119.26 117.84 3a6t h ALA 124 Ca 0.24 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 3a6t h ALA 124 Cb -0.04 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3a6t h ALA 124 CO -0.05 -0.27 0.28 -0.22 0.00 0.00 0.00 179.25 179.00 3a6t h LYS 125 N 0.05 0.92 -0.98 0.00 3.64 -0.86 -2.43 116.57 116.91 3a6t h LYS 125 Ca 0.04 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3a6t h LYS 125 Cb 0.15 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 31.75 3a6t h LYS 125 CO -0.00 0.73 0.65 -0.07 -2.27 0.00 0.00 179.45 178.48 3a6t h LEU 126 N 0.91 1.08 -1.60 5.20 3.38 -0.74 -1.36 115.31 122.18 3a6t h LEU 126 Ca 0.22 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3a6t h LEU 126 Cb 0.14 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3a6t h LEU 126 CO -0.02 0.75 0.00 0.29 0.09 0.00 0.00 178.44 179.55 3a6t n LYS 127 N -4.43 0.28 -1.16 1.13 5.02 -0.91 -1.61 118.16 116.48 3a6t n LYS 127 Ca 0.13 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.38 3a6t n LYS 127 Cb 0.08 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 33.77 3a6t n LYS 127 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3a6t n ARG 128 N 0.66 0.04 0.00 1.97 1.74 -0.51 -5.08 116.66 115.47 3a6t n ARG 128 Ca 0.00 -1.26 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 3a6t n ARG 128 Cb 0.11 0.36 0.00 0.00 -1.02 0.00 0.00 32.46 31.92 3a6t n ARG 128 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58