#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a3t n ASP -3 N 0.00 2.79 -4.83 -2.24 10.43 -1.26 -4.98 116.55 116.45 3a3t n ASP -3 Ca 0.00 1.11 -0.33 0.00 2.57 0.00 0.00 54.79 58.14 3a3t n ASP -3 Cb 0.00 -1.53 -0.05 0.00 1.84 0.00 0.00 41.12 41.37 3a3t n ASP -3 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 3a3t s ASP -2 N -0.52 6.80 0.11 -2.24 1.01 -1.26 -5.08 116.67 115.47 3a3t s ASP -2 Ca 0.61 1.61 -0.00 0.00 0.71 0.00 0.00 52.55 55.48 3a3t s ASP -2 Cb -0.49 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 40.89 3a3t s ASP -2 CO 0.58 -0.45 0.01 -0.54 0.21 0.00 0.00 175.17 174.98 3a3t s LYS -1 N -3.55 0.84 0.21 8.23 -0.14 -1.26 -5.09 119.74 118.97 3a3t s LYS -1 Ca 0.60 -1.37 -0.32 0.00 -1.36 0.00 0.00 55.97 53.53 3a3t s LYS -1 Cb -0.09 0.14 -0.11 0.00 -1.68 0.00 0.00 37.83 36.08 3a3t s LYS -1 CO 0.21 -0.18 1.65 0.00 -0.76 0.00 0.00 175.35 176.27 3a3t s ALA 24 N -3.93 3.85 0.00 5.17 0.00 -1.26 -1.71 121.76 123.88 3a3t s ALA 24 Ca 0.18 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.64 3a3t s ALA 24 Cb 0.07 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3a3t s ALA 24 CO -0.02 -0.88 0.00 0.41 0.00 0.00 0.00 175.76 175.27 3a3t n GLY 25 N 3.62 0.74 2.34 0.00 0.00 -1.26 -4.91 105.19 105.71 3a3t n GLY 25 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.01 3a3t n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3a3t n LEU 26 N 0.00 0.84 -4.27 0.99 0.00 -0.69 -4.68 117.00 109.18 3a3t n LEU 26 Ca 0.00 -4.61 -0.34 0.00 0.00 0.00 0.00 56.01 51.07 3a3t n LEU 26 Cb 0.00 0.64 -0.15 0.00 0.00 0.00 0.00 43.42 43.92 3a3t n LEU 26 CO 0.00 2.09 -0.44 -0.69 0.00 0.00 0.00 177.39 178.34 3a3t s VAL 27 N -2.48 2.90 0.16 1.96 1.01 -1.26 -4.06 120.40 118.64 3a3t s VAL 27 Ca 0.36 -0.67 -0.31 0.00 0.00 0.00 0.00 61.98 61.35 3a3t s VAL 27 Cb 0.38 -2.27 -0.11 0.00 0.00 0.00 0.00 36.38 34.38 3a3t s VAL 27 CO -0.05 0.48 1.76 -0.70 0.00 0.00 0.00 175.10 176.59 3a3t s GLU 28 N 1.12 4.14 0.00 2.72 2.12 -1.26 -1.09 118.70 126.45 3a3t s GLU 28 Ca 0.01 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.91 3a3t s GLU 28 Cb -0.14 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.92 3a3t s GLU 28 CO -0.03 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.32 3a3t n GLY 29 N 4.08 1.95 0.85 -1.50 0.00 0.18 -4.84 105.19 105.90 3a3t n GLY 29 Ca 0.17 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.16 3a3t n GLY 29 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3a3t n GLN 30 N -2.00 0.11 -0.01 1.61 -0.06 -0.48 -4.83 117.38 111.72 3a3t n GLN 30 Ca 0.00 0.04 0.08 0.00 -2.00 0.00 0.00 57.00 55.12 3a3t n GLN 30 Cb 0.00 -0.69 -0.14 0.00 -4.06 0.00 0.00 30.24 25.35 3a3t n GLN 30 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 3a3t n ASN 31 N -3.63 0.16 -3.64 1.69 3.02 -0.25 -4.71 115.26 107.90 3a3t n ASN 31 Ca -0.04 0.06 -0.10 0.00 -0.03 0.00 0.00 54.58 54.47 3a3t n ASN 31 Cb 0.18 1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 40.88 3a3t n ASN 31 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 3a3t s TYR 32 N -3.32 -0.32 0.07 3.10 -0.85 -1.20 -1.01 117.35 113.83 3a3t s TYR 32 Ca -0.07 -0.00 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 3a3t s TYR 32 Cb 0.12 0.55 -0.03 0.00 0.38 0.00 0.00 41.96 42.98 3a3t s TYR 32 CO 0.88 -0.97 -0.13 0.99 -1.52 0.00 0.00 175.55 174.79 3a3t s THR 33 N -3.83 1.05 -0.24 -3.49 2.01 0.94 0.50 115.64 112.59 3a3t s THR 33 Ca 0.06 -1.33 -0.13 0.00 0.31 0.00 0.00 61.69 60.60 3a3t s THR 33 Cb -0.02 -1.07 -0.04 0.00 0.01 0.00 0.00 72.50 71.38 3a3t s THR 33 CO -0.05 -0.27 0.28 -0.69 -0.69 0.00 0.00 174.62 173.20 3a3t s VAL 34 N -1.41 5.27 0.20 3.82 1.01 -1.26 -0.49 120.40 127.54 3a3t s VAL 34 Ca -0.02 0.42 -0.30 0.00 0.00 0.00 0.00 61.98 62.08 3a3t s VAL 34 Cb -0.09 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 3a3t s VAL 34 CO 0.02 0.27 1.38 -0.76 0.00 0.00 0.00 175.10 176.00 3a3t s LEU 35 N 1.42 4.40 0.28 3.92 1.02 -0.60 -4.92 118.68 124.20 3a3t s LEU 35 Ca 0.12 2.49 -0.03 0.00 0.02 0.00 0.00 54.13 56.73 3a3t s LEU 35 Cb -0.15 -3.61 0.37 0.00 0.02 0.00 0.00 46.19 42.82 3a3t s LEU 35 CO 0.07 -0.62 1.90 0.00 0.02 0.00 0.00 176.35 177.73 3a3t h ALA 36 N 5.56 1.29 -3.44 4.21 0.00 -1.97 -3.38 119.26 121.53 3a3t h ALA 36 Ca -0.45 -0.12 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 3a3t h ALA 36 Cb 1.21 -0.31 -0.39 0.00 0.00 0.00 0.00 17.79 18.30 3a3t h ALA 36 CO 0.80 0.58 -0.77 -0.80 0.00 0.00 0.00 179.25 179.06 3a3t s ASN 37 N -6.35 3.73 0.56 0.00 -0.87 -1.26 -5.13 114.94 105.62 3a3t s ASN 37 Ca -0.11 -1.27 -0.21 0.00 -1.57 0.00 0.00 52.86 49.69 3a3t s ASN 37 Cb 0.17 -1.00 -0.04 0.00 -0.02 0.00 0.00 41.25 40.36 3a3t s ASN 37 CO 0.81 -0.30 1.36 -2.84 -2.57 0.00 0.00 177.10 173.55 3a3t s PRO 38 N 1.52 3.06 -0.25 -0.60 0.02 -1.26 -4.99 135.00 132.49 3a3t s PRO 38 Ca 0.00 2.25 -0.11 0.00 0.02 0.00 0.00 61.00 63.16 3a3t s PRO 38 Cb -0.18 -2.21 -0.05 0.00 0.02 0.00 0.00 34.50 32.08 3a3t s PRO 38 CO -0.11 -1.26 0.19 0.42 -0.33 0.00 0.00 177.00 175.91 3a3t s ILE 39 N -1.30 5.33 0.28 2.83 1.01 -0.23 -5.02 121.20 124.10 3a3t s ILE 39 Ca 0.73 0.21 -0.30 0.00 0.00 0.00 0.00 60.65 61.29 3a3t s ILE 39 Cb -0.41 -3.53 -0.12 0.00 0.01 0.00 0.00 42.46 38.41 3a3t s ILE 39 CO 0.48 0.30 1.47 -2.65 0.00 0.00 0.00 174.94 174.54 3a3t n PRO 40 N 4.60 2.33 -2.23 2.79 -0.02 -1.26 -4.35 135.00 136.86 3a3t n PRO 40 Ca -0.14 0.83 -0.32 0.00 -2.02 0.00 0.00 63.50 61.85 3a3t n PRO 40 Cb 0.52 -2.53 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 3a3t n PRO 40 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3a3t s GLN 41 N -0.66 3.84 0.45 -0.52 -0.21 -1.26 -4.97 119.66 116.33 3a3t s GLN 41 Ca 0.65 0.89 0.22 0.00 0.02 0.00 0.00 55.36 57.14 3a3t s GLN 41 Cb -0.57 -2.12 1.08 0.00 1.00 0.00 0.00 33.01 32.39 3a3t s GLN 41 CO 0.51 -0.37 1.92 1.96 -2.12 0.00 0.00 175.29 177.19 3a3t h GLN 42 N 0.52 0.00 -4.30 2.91 4.20 -2.01 -3.43 115.11 112.99 3a3t h GLN 42 Ca -0.46 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 57.78 3a3t h GLN 42 Cb 1.19 0.00 -0.34 0.00 0.30 0.00 0.00 27.48 28.63 3a3t h GLN 42 CO 0.62 0.23 -0.80 -0.65 -0.67 0.00 0.00 178.83 177.56 3a3t s GLN 43 N -4.00 1.31 0.07 1.46 -0.21 -1.26 -5.08 119.66 111.96 3a3t s GLN 43 Ca -0.02 -0.27 -0.32 0.00 0.02 0.00 0.00 55.36 54.77 3a3t s GLN 43 Cb 0.12 -1.17 -0.18 0.00 1.00 0.00 0.00 33.01 32.78 3a3t s GLN 43 CO 0.64 -0.03 1.63 0.00 -2.12 0.00 0.00 175.29 175.41 3a3t h ALA 44 N 7.12 -0.87 -0.47 6.09 0.00 -2.03 -3.32 119.26 125.78 3a3t h ALA 44 Ca -0.34 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.29 3a3t h ALA 44 Cb 1.17 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 19.26 3a3t h ALA 44 CO 0.47 -0.99 0.13 0.41 0.00 0.00 0.00 179.25 179.26 3a3t n GLY 45 N -1.47 2.85 2.81 0.00 0.00 -1.26 -4.95 105.19 103.17 3a3t n GLY 45 Ca -0.13 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.00 3a3t n GLY 45 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a3t n LYS 46 N 0.13 0.82 -3.56 1.61 5.02 -1.25 -5.06 118.16 115.87 3a3t n LYS 46 Ca 0.25 -2.88 -0.41 0.00 -2.02 0.00 0.00 58.31 53.25 3a3t n LYS 46 Cb 1.01 1.18 -0.08 0.00 -0.02 0.00 0.00 35.03 37.13 3a3t n LYS 46 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3a3t s VAL 47 N -2.64 4.30 -0.10 -0.18 1.01 0.12 -4.94 120.40 117.97 3a3t s VAL 47 Ca 0.09 -2.13 -0.30 0.00 0.00 0.00 0.00 61.98 59.64 3a3t s VAL 47 Cb 0.00 -3.80 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 3a3t s VAL 47 CO 0.06 -0.83 1.02 -0.70 0.00 0.00 0.00 175.10 174.65 3a3t s GLU 48 N 0.89 4.43 -0.44 2.72 2.12 -1.26 -2.01 118.70 125.14 3a3t s GLU 48 Ca 0.10 1.41 -0.16 0.00 0.36 0.00 0.00 54.97 56.68 3a3t s GLU 48 Cb -0.23 -3.54 0.04 0.00 0.26 0.00 0.00 34.13 30.67 3a3t s GLU 48 CO -0.03 -0.31 0.41 0.08 -0.54 0.00 0.00 175.26 174.87 3a3t s VAL 49 N 1.96 5.16 -0.23 3.70 1.01 0.18 -0.72 120.40 131.46 3a3t s VAL 49 Ca 0.49 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.72 3a3t s VAL 49 Cb -0.19 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.10 3a3t s VAL 49 CO 0.19 -0.48 0.06 -0.22 0.00 0.00 0.00 175.10 174.65 3a3t s LEU 50 N 1.91 3.51 -0.24 3.92 2.96 0.10 0.42 118.68 131.26 3a3t s LEU 50 Ca 0.08 -0.14 -0.02 0.00 -0.22 0.00 0.00 54.13 53.83 3a3t s LEU 50 Cb -0.20 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.58 3a3t s LEU 50 CO 0.10 0.02 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.39 3a3t s GLU 51 N 1.29 2.97 -0.03 1.98 2.12 0.73 0.42 118.70 128.18 3a3t s GLU 51 Ca 0.05 -0.89 -0.23 0.00 0.36 0.00 0.00 54.97 54.26 3a3t s GLU 51 Cb -0.15 -2.96 -0.04 0.00 0.26 0.00 0.00 34.13 31.24 3a3t s GLU 51 CO 0.03 -0.34 0.69 -0.06 -0.54 0.00 0.00 175.26 175.04 3a3t s PHE 52 N 1.36 3.63 0.29 5.30 0.08 0.12 -1.17 117.98 127.60 3a3t s PHE 52 Ca 0.02 1.28 0.01 0.00 0.12 0.00 0.00 56.93 58.35 3a3t s PHE 52 Cb -0.16 -2.76 -0.02 0.00 -0.57 0.00 0.00 43.02 39.51 3a3t s PHE 52 CO -0.05 0.19 0.32 -0.59 -0.10 0.00 0.00 175.22 174.98 3a3t s PHE 53 N 0.40 1.29 -0.02 0.36 -0.71 -0.49 -1.56 117.98 117.25 3a3t s PHE 53 Ca 0.36 -1.41 -0.01 0.00 -1.04 0.00 0.00 56.93 54.83 3a3t s PHE 53 Cb -0.18 -0.42 0.01 0.00 -1.21 0.00 0.00 43.02 41.22 3a3t s PHE 53 CO 0.19 -0.90 0.05 0.20 -1.34 0.00 0.00 175.22 173.41 3a3t s GLY 54 N -3.25 -0.01 0.38 1.99 0.00 -1.26 -1.10 107.32 104.07 3a3t s GLY 54 Ca 0.36 0.19 0.25 0.00 0.00 0.00 0.00 44.72 45.52 3a3t s GLY 54 CO 0.20 0.26 1.78 -0.97 0.00 0.00 0.00 173.10 174.37 3a3t h TYR 55 N 6.35 0.00 -0.02 1.90 0.05 -1.96 -0.59 116.97 122.71 3a3t h TYR 55 Ca -0.29 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.49 3a3t h TYR 55 Cb 1.19 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 3a3t h TYR 55 CO 0.43 0.00 -0.03 1.97 -1.05 0.00 0.00 178.16 179.47 3a3t n PHE 56 N -2.40 0.00 -3.37 4.88 -1.74 -1.26 -4.39 117.46 109.18 3a3t n PHE 56 Ca -0.02 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.44 3a3t n PHE 56 Cb 0.05 -0.01 -0.09 0.00 1.52 0.00 0.00 39.48 40.94 3a3t n PHE 56 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 3a3t h PRO 58 N 8.69 0.26 -0.99 0.00 0.11 -1.89 0.39 132.00 138.57 3a3t h PRO 58 Ca -0.27 -0.02 0.03 0.00 0.11 0.00 0.00 66.00 65.86 3a3t h PRO 58 Cb 1.11 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.11 3a3t h PRO 58 CO 0.77 0.17 0.65 0.45 -0.21 0.00 0.00 178.00 179.83 3a3t h HIS 59 N 0.27 1.23 -0.90 0.65 3.86 -1.92 -1.09 115.15 117.24 3a3t h HIS 59 Ca 0.17 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3a3t h HIS 59 Cb 0.16 -0.41 -0.05 0.00 1.06 0.00 0.00 27.41 28.17 3a3t h HIS 59 CO -0.15 0.73 0.59 0.00 0.86 0.00 0.00 177.93 179.96 3a3t h ALA 61 N 1.34 1.46 0.21 0.00 0.00 0.23 0.36 119.26 122.86 3a3t h ALA 61 Ca 0.34 -0.14 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 3a3t h ALA 61 Cb -0.11 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 17.54 3a3t h ALA 61 CO -0.08 0.40 -1.42 0.45 0.00 0.00 0.00 179.25 178.61 3a3t h HIS 62 N 0.58 0.82 -0.10 0.00 3.86 -0.65 -3.31 115.15 116.35 3a3t h HIS 62 Ca 0.14 -0.59 -0.13 0.00 -1.16 0.00 0.00 60.37 58.63 3a3t h HIS 62 Cb 0.18 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3a3t h HIS 62 CO 0.01 1.47 -0.50 1.25 0.86 0.00 0.00 177.93 181.02 3a3t h LEU 63 N 0.12 0.28 -0.55 2.43 5.85 -0.56 -3.34 115.31 119.54 3a3t h LEU 63 Ca -0.22 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.47 3a3t h LEU 63 Cb 2.11 -0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.95 3a3t h LEU 63 CO 0.25 0.73 -0.21 -0.08 -0.34 0.00 0.00 178.44 178.80 3a3t h GLU 64 N 0.20 -0.07 0.00 1.25 4.22 -1.01 0.79 114.58 119.96 3a3t h GLU 64 Ca 0.01 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 59.37 3a3t h GLU 64 Cb 0.96 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 3a3t h GLU 64 CO 0.08 -0.05 -0.40 -1.35 -2.18 0.00 0.00 179.01 175.11 3a3t h PRO 65 N -0.08 0.00 0.00 0.92 0.11 -1.76 -0.11 132.00 131.09 3a3t h PRO 65 Ca 0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.36 3a3t h PRO 65 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.58 3a3t h PRO 65 CO -0.60 0.40 -0.01 0.28 -0.21 0.00 0.00 178.00 177.86 3a3t h VAL 66 N 0.00 1.64 -0.49 3.15 2.07 -1.41 -2.81 116.25 118.40 3a3t h VAL 66 Ca -0.00 -1.90 -0.07 0.00 0.82 0.00 0.00 66.70 65.54 3a3t h VAL 66 Cb 0.71 2.94 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 3a3t h VAL 66 CO 0.05 0.50 0.01 0.25 0.02 0.00 0.00 177.57 178.40 3a3t h LEU 67 N -0.80 0.77 -0.34 2.57 5.85 -0.85 -0.90 115.31 121.62 3a3t h LEU 67 Ca -0.00 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 3a3t h LEU 67 Cb 0.82 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 3a3t h LEU 67 CO 0.00 0.83 -0.31 -1.28 -0.34 0.00 0.00 178.44 177.35 3a3t h SER 68 N 0.75 0.86 -0.04 1.25 0.87 -1.11 0.09 113.55 116.21 3a3t h SER 68 Ca 0.15 -0.46 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 3a3t h SER 68 Cb 0.45 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.16 3a3t h SER 68 CO 0.02 1.14 0.02 0.50 -0.53 0.00 0.00 176.83 177.98 3a3t h LYS 69 N 0.59 0.06 -0.58 2.24 1.63 -1.37 -3.07 116.57 116.06 3a3t h LYS 69 Ca 0.06 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3a3t h LYS 69 Cb 0.88 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.47 3a3t h LYS 69 CO 0.08 0.13 0.22 1.25 -3.45 0.00 0.00 179.45 177.67 3a3t h HIS 70 N -0.02 0.86 0.00 1.91 2.76 -1.02 -1.61 115.15 118.02 3a3t h HIS 70 Ca 0.01 -0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.10 3a3t h HIS 70 Cb 0.08 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 3a3t h HIS 70 CO -0.05 0.67 -0.14 0.00 -1.30 0.00 0.00 177.93 177.11 3a3t h ALA 71 N 1.41 1.58 0.00 5.26 0.00 -0.93 -1.68 119.26 124.90 3a3t h ALA 71 Ca 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3a3t h ALA 71 Cb 0.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3a3t h ALA 71 CO -0.02 0.18 0.00 1.63 0.00 0.00 0.00 179.25 181.04 3a3t n LYS 72 N -4.10 0.33 -0.19 0.00 5.02 -0.61 -1.63 118.16 116.98 3a3t n LYS 72 Ca -0.02 0.02 0.04 0.00 -2.02 0.00 0.00 58.31 56.32 3a3t n LYS 72 Cb 0.22 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.78 3a3t n LYS 72 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3a3t n SER 73 N -1.02 1.22 -4.71 4.39 3.41 -0.63 -5.06 113.62 111.21 3a3t n SER 73 Ca 0.08 -2.29 -0.34 0.00 -0.26 0.00 0.00 58.87 56.06 3a3t n SER 73 Cb 0.04 -0.23 0.10 0.00 -0.26 0.00 0.00 64.21 63.86 3a3t n SER 73 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3a3t s PHE 74 N -1.27 1.95 0.99 7.33 0.08 -0.65 -5.03 117.98 121.38 3a3t s PHE 74 Ca 0.12 1.61 -0.16 0.00 0.12 0.00 0.00 56.93 58.63 3a3t s PHE 74 Cb 0.11 -3.51 0.20 0.00 -0.57 0.00 0.00 43.02 39.24 3a3t s PHE 74 CO 0.01 -2.76 1.22 0.15 -0.10 0.00 0.00 175.22 173.74 3a3t s LYS 75 N -3.93 0.45 0.00 0.44 1.02 -1.26 -4.93 119.74 111.52 3a3t s LYS 75 Ca 0.75 -0.14 0.19 0.00 0.02 0.00 0.00 55.97 56.79 3a3t s LYS 75 Cb -0.30 -1.80 1.07 0.00 -0.52 0.00 0.00 37.83 36.28 3a3t s LYS 75 CO 0.47 -2.58 1.58 -0.40 -0.92 0.00 0.00 175.35 173.50 3a3t n ASP 76 N -3.95 0.00 -0.77 2.83 5.68 -1.26 -2.11 116.55 116.97 3a3t n ASP 76 Ca 0.12 -0.30 0.07 0.00 -0.50 0.00 0.00 54.79 54.18 3a3t n ASP 76 Cb 0.60 -0.15 0.20 0.00 -1.14 0.00 0.00 41.12 40.63 3a3t n ASP 76 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3a3t n ASP 77 N -1.15 3.36 -3.96 -1.12 3.85 -1.26 -4.99 116.55 111.28 3a3t n ASP 77 Ca 0.12 -2.41 -0.19 0.00 -0.71 0.00 0.00 54.79 51.60 3a3t n ASP 77 Cb 0.11 -0.37 -0.15 0.00 -1.35 0.00 0.00 41.12 39.36 3a3t n ASP 77 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 3a3t s MET 78 N -1.75 0.73 0.04 0.11 1.75 -0.90 0.11 119.30 119.41 3a3t s MET 78 Ca 0.31 -0.22 -0.10 0.00 -1.25 0.00 0.00 55.69 54.43 3a3t s MET 78 Cb 0.21 -0.71 0.01 0.00 2.84 0.00 0.00 34.83 37.18 3a3t s MET 78 CO 0.13 0.08 0.21 1.52 -0.65 0.00 0.00 175.02 176.31 3a3t s TYR 79 N 0.23 0.03 -0.08 4.11 -0.85 -0.85 -4.60 117.35 115.34 3a3t s TYR 79 Ca -0.03 -0.24 -0.15 0.00 -0.52 0.00 0.00 57.07 56.14 3a3t s TYR 79 Cb -0.08 -0.01 -0.05 0.00 0.38 0.00 0.00 41.96 42.21 3a3t s TYR 79 CO 0.00 -0.44 0.37 -1.17 -1.52 0.00 0.00 175.55 172.79 3a3t s LEU 80 N -2.10 4.37 -0.02 -3.49 2.96 -1.26 0.49 118.68 119.63 3a3t s LEU 80 Ca -0.05 0.77 0.05 0.00 -0.22 0.00 0.00 54.13 54.68 3a3t s LEU 80 Cb -0.01 -2.51 -0.01 0.00 0.50 0.00 0.00 46.19 44.16 3a3t s LEU 80 CO -0.04 0.20 -0.16 -0.60 -1.32 0.00 0.00 176.35 174.44 3a3t s ARG 81 N -0.31 1.42 0.02 1.98 3.52 0.17 -4.92 118.95 120.84 3a3t s ARG 81 Ca 0.22 -0.56 0.06 0.00 -0.13 0.00 0.00 55.73 55.32 3a3t s ARG 81 Cb -0.15 -1.32 -0.02 0.00 -1.56 0.00 0.00 34.95 31.90 3a3t s ARG 81 CO 0.09 0.29 -0.18 0.95 -0.81 0.00 0.00 175.30 175.65 3a3t s THR 82 N -0.19 1.43 -0.01 4.11 -4.23 -1.26 -0.20 115.64 115.29 3a3t s THR 82 Ca 0.02 -1.00 -0.01 0.00 -1.18 0.00 0.00 61.69 59.52 3a3t s THR 82 Cb -0.08 -1.24 0.01 0.00 1.34 0.00 0.00 72.50 72.54 3a3t s THR 82 CO 0.00 0.21 0.03 -1.61 -0.54 0.00 0.00 174.62 172.71 3a3t s GLU 83 N -0.93 0.01 0.08 3.99 0.41 -0.32 -4.95 118.70 117.00 3a3t s GLU 83 Ca 0.06 0.10 -0.24 0.00 -0.41 0.00 0.00 54.97 54.47 3a3t s GLU 83 Cb -0.08 -0.08 -0.06 0.00 -1.78 0.00 0.00 34.13 32.13 3a3t s GLU 83 CO 0.01 -0.06 0.74 -1.58 -0.49 0.00 0.00 175.26 173.87 3a3t s HIS 84 N 0.41 3.80 0.57 1.61 2.46 -1.26 -1.39 115.29 121.48 3a3t s HIS 84 Ca -0.03 1.49 -0.17 0.00 0.47 0.00 0.00 55.06 56.82 3a3t s HIS 84 Cb -0.05 -2.76 -0.05 0.00 -0.13 0.00 0.00 32.58 29.59 3a3t s HIS 84 CO -0.01 0.39 1.05 0.14 -2.47 0.00 0.00 174.74 173.84 3a3t s VAL 85 N -0.52 3.81 -0.29 0.89 -7.23 -0.25 -4.66 120.40 112.15 3a3t s VAL 85 Ca 0.36 0.92 -0.00 0.00 -1.81 0.00 0.00 61.98 61.45 3a3t s VAL 85 Cb -0.21 -3.41 0.09 0.00 0.56 0.00 0.00 36.38 33.41 3a3t s VAL 85 CO 0.23 -0.44 0.07 -0.69 -0.31 0.00 0.00 175.10 173.96 3a3t s VAL 86 N -2.34 1.11 -0.84 1.32 1.01 -1.26 -4.73 120.40 114.67 3a3t s VAL 86 Ca 0.64 -1.42 0.22 0.00 0.00 0.00 0.00 61.98 61.43 3a3t s VAL 86 Cb -0.16 -1.76 -0.18 0.00 0.00 0.00 0.00 36.38 34.29 3a3t s VAL 86 CO 0.33 -0.55 0.97 0.79 0.00 0.00 0.00 175.10 176.64 3a3t n TRP 87 N 4.77 0.05 -3.69 5.22 8.01 -1.26 -4.82 117.44 125.71 3a3t n TRP 87 Ca -0.03 0.01 -0.09 0.00 -1.31 0.00 0.00 57.50 56.08 3a3t n TRP 87 Cb 0.43 -0.17 -0.02 0.00 -2.01 0.00 0.00 31.31 29.54 3a3t n TRP 87 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 177.69 177.82 3a3t s GLN 88 N -3.08 1.58 0.31 -0.99 -2.07 -1.26 -5.05 119.66 109.10 3a3t s GLN 88 Ca 0.06 -0.78 0.06 0.00 -1.82 0.00 0.00 55.36 52.89 3a3t s GLN 88 Cb 0.16 0.60 0.75 0.00 -1.09 0.00 0.00 33.01 33.42 3a3t s GLN 88 CO 0.83 -0.71 1.80 -0.22 -1.32 0.00 0.00 175.29 175.67 3a3t h LYS 89 N 2.00 0.75 0.00 9.60 3.64 -2.03 -0.80 116.57 129.73 3a3t h LYS 89 Ca -0.25 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 3a3t h LYS 89 Cb 1.27 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.92 3a3t h LYS 89 CO 0.29 0.49 -0.20 0.93 -2.27 0.00 0.00 179.45 178.69 3a3t h GLU 90 N 0.77 0.00 0.00 1.90 3.07 -1.97 -2.45 114.58 115.90 3a3t h GLU 90 Ca 0.55 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.41 3a3t h GLU 90 Cb 0.86 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.77 3a3t h GLU 90 CO -0.34 0.20 0.00 -0.12 -1.40 0.00 0.00 179.01 177.35 3a3t n MET 91 N -3.62 0.06 -0.36 2.33 1.56 -0.31 -3.71 117.12 113.08 3a3t n MET 91 Ca -0.01 0.08 0.05 0.00 -0.27 0.00 0.00 57.70 57.54 3a3t n MET 91 Cb 0.33 -1.58 0.20 0.00 2.15 0.00 0.00 33.22 34.32 3a3t n MET 91 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 3a3t h LEU 92 N 0.00 0.96 -1.26 -0.89 3.38 -1.50 -1.44 115.31 114.57 3a3t h LEU 92 Ca 0.00 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3a3t h LEU 92 Cb 0.53 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.05 3a3t h LEU 92 CO 0.00 0.57 0.56 0.74 0.09 0.00 0.00 178.44 180.39 3a3t h THR 93 N 1.07 0.94 -0.18 0.22 2.02 -1.79 -0.08 112.91 115.11 3a3t h THR 93 Ca 0.46 -0.28 -0.19 0.00 0.77 0.00 0.00 66.41 67.17 3a3t h THR 93 Cb 0.32 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3a3t h THR 93 CO -0.22 0.15 -0.66 -0.07 0.37 0.00 0.00 175.52 175.09 3a3t h LEU 94 N 0.81 0.78 -0.86 2.58 3.38 -1.51 -0.03 115.31 120.46 3a3t h LEU 94 Ca 0.40 -0.47 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3a3t h LEU 94 Cb 0.46 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3a3t h LEU 94 CO -0.17 1.24 -0.01 0.00 0.09 0.00 0.00 178.44 179.58 3a3t h ALA 95 N 0.76 1.05 -0.66 1.53 0.00 -1.25 -0.44 119.26 120.25 3a3t h ALA 95 Ca -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 3a3t h ALA 95 Cb 1.25 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 3a3t h ALA 95 CO 0.13 0.59 0.21 -0.09 0.00 0.00 0.00 179.25 180.09 3a3t h ARG 96 N 0.77 1.03 -0.33 0.00 2.43 -0.72 -0.65 114.38 116.90 3a3t h ARG 96 Ca 0.15 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.10 3a3t h ARG 96 Cb 0.49 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3a3t h ARG 96 CO 0.02 0.89 0.20 1.25 -1.51 0.00 0.00 179.97 180.82 3a3t h LEU 97 N 0.96 0.39 -1.17 3.80 5.85 -0.66 -0.18 115.31 124.30 3a3t h LEU 97 Ca 0.21 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.91 3a3t h LEU 97 Cb 0.29 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.17 3a3t h LEU 97 CO -0.01 0.33 0.56 0.00 -0.34 0.00 0.00 178.44 178.99 3a3t h ALA 98 N 1.08 1.45 -0.40 1.25 0.00 -0.66 -0.93 119.26 121.06 3a3t h ALA 98 Ca 0.12 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3a3t h ALA 98 Cb 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3a3t h ALA 98 CO -0.02 0.47 -0.09 0.00 0.00 0.00 0.00 179.25 179.61 3a3t h ALA 99 N 1.49 0.54 -0.44 0.00 0.00 -0.68 -2.01 119.26 118.17 3a3t h ALA 99 Ca 0.34 -0.31 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3a3t h ALA 99 Cb -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3a3t h ALA 99 CO -0.09 0.41 0.13 0.00 0.00 0.00 0.00 179.25 179.69 3a3t h ALA 100 N 0.84 0.51 -0.73 0.00 0.00 -0.31 0.82 119.26 120.40 3a3t h ALA 100 Ca 0.10 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3a3t h ALA 100 Cb 0.61 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 3a3t h ALA 100 CO 0.04 -0.26 0.47 0.28 0.00 0.00 0.00 179.25 179.77 3a3t h VAL 101 N 0.29 1.14 -0.62 0.00 2.07 -1.03 0.53 116.25 118.63 3a3t h VAL 101 Ca 0.21 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3a3t h VAL 101 Cb 0.23 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3a3t h VAL 101 CO -0.24 0.17 0.33 0.44 0.02 0.00 0.00 177.57 178.29 3a3t h ASP 102 N 0.94 0.77 0.01 0.57 3.32 -0.57 -1.63 116.42 119.83 3a3t h ASP 102 Ca 0.28 -0.06 -0.18 0.00 0.02 0.00 0.00 57.03 57.09 3a3t h ASP 102 Cb -0.05 -0.20 0.01 0.00 0.22 0.00 0.00 39.33 39.32 3a3t h ASP 102 CO -0.09 0.64 -0.70 0.24 -1.72 0.00 0.00 179.24 177.61 3a3t h MET 103 N 0.87 0.46 0.00 3.56 2.86 0.20 -3.35 114.93 119.53 3a3t h MET 103 Ca 0.22 -0.51 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 3a3t h MET 103 Cb 0.05 0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3a3t h MET 103 CO -0.03 1.16 -0.39 0.00 1.06 0.00 0.00 176.91 178.71 3a3t n ALA 104 N -2.60 2.34 -2.74 6.32 0.00 0.08 -4.70 120.51 119.21 3a3t n ALA 104 Ca -0.11 -0.09 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 3a3t n ALA 104 Cb 0.72 -0.11 0.04 0.00 0.00 0.00 0.00 19.45 20.10 3a3t n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a3t n ALA 105 N -1.20 3.04 0.01 0.00 0.00 -0.63 -4.77 120.51 116.96 3a3t n ALA 105 Ca 0.00 -2.96 -0.01 0.00 0.00 0.00 0.00 53.44 50.47 3a3t n ALA 105 Cb 0.06 -0.91 0.27 0.00 0.00 0.00 0.00 19.45 18.87 3a3t n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a3t h ALA 106 N 2.81 1.29 0.00 0.00 0.00 -1.66 0.21 119.26 121.90 3a3t h ALA 106 Ca -0.11 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3a3t h ALA 106 Cb 1.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3a3t h ALA 106 CO 0.35 0.47 -0.32 -0.44 0.00 0.00 0.00 179.25 179.32 3a3t h ASP 107 N 0.48 0.00 -0.06 0.00 5.19 -1.90 -3.12 116.42 117.00 3a3t h ASP 107 Ca 0.09 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.48 3a3t h ASP 107 Cb 0.43 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.93 3a3t h ASP 107 CO 0.02 0.32 -0.23 -1.54 -3.12 0.00 0.00 179.24 174.69 3a3t n SER 108 N -3.35 2.19 -0.28 6.45 3.41 -0.99 -4.81 113.62 116.24 3a3t n SER 108 Ca 0.01 -3.53 0.01 0.00 -0.26 0.00 0.00 58.87 55.09 3a3t n SER 108 Cb 0.54 -0.51 0.21 0.00 -0.26 0.00 0.00 64.21 64.19 3a3t n SER 108 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 3a3t h LYS 109 N 0.69 1.08 0.45 4.33 3.64 -0.54 -0.87 116.57 125.36 3a3t h LYS 109 Ca 0.03 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3a3t h LYS 109 Cb 1.11 -0.24 -0.00 0.00 -0.41 0.00 0.00 32.23 32.68 3a3t h LYS 109 CO 0.06 0.71 -0.28 -0.44 -2.27 0.00 0.00 179.45 177.24 3a3t h ASP 110 N 1.11 -0.70 -0.25 4.20 3.32 -1.86 0.98 116.42 123.23 3a3t h ASP 110 Ca 0.33 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.42 3a3t h ASP 110 Cb -0.04 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3a3t h ASP 110 CO -0.09 -0.44 0.15 0.58 -1.72 0.00 0.00 179.24 177.72 3a3t h VAL 111 N -0.70 1.09 0.05 -1.35 2.07 -1.91 0.10 116.25 115.61 3a3t h VAL 111 Ca -0.05 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.28 3a3t h VAL 111 Cb 0.57 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.08 3a3t h VAL 111 CO 0.05 0.09 -0.34 0.00 0.02 0.00 0.00 177.57 177.39 3a3t h ALA 112 N 1.05 -0.54 -0.86 1.67 0.00 -1.04 -1.47 119.26 118.08 3a3t h ALA 112 Ca 0.09 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3a3t h ALA 112 Cb 0.01 0.58 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3a3t h ALA 112 CO -0.02 -0.87 0.43 -0.91 0.00 0.00 0.00 179.25 177.88 3a3t h ASN 113 N -0.52 1.12 -0.70 0.00 2.35 -0.67 -1.35 115.58 115.80 3a3t h ASN 113 Ca 0.05 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.72 3a3t h ASN 113 Cb 0.59 -0.29 -0.05 0.00 0.05 0.00 0.00 38.32 38.62 3a3t h ASN 113 CO -0.24 0.93 0.42 -1.28 -1.65 0.00 0.00 177.43 175.60 3a3t h SER 114 N 1.23 0.66 -0.09 5.81 0.87 -0.66 0.36 113.55 121.72 3a3t h SER 114 Ca 0.30 0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.73 3a3t h SER 114 Cb 0.10 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3a3t h SER 114 CO -0.04 0.44 -0.44 0.45 -0.53 0.00 0.00 176.83 176.71 3a3t h HIS 115 N 0.79 0.77 -0.17 2.24 3.86 -0.87 -0.53 115.15 121.24 3a3t h HIS 115 Ca 0.30 -0.24 -0.04 0.00 -1.16 0.00 0.00 60.37 59.23 3a3t h HIS 115 Cb 0.11 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3a3t h HIS 115 CO -0.06 0.96 -0.04 0.82 0.86 0.00 0.00 177.93 180.48 3a3t h ILE 116 N 0.51 1.29 -0.70 2.45 2.04 -0.71 -0.37 117.51 122.02 3a3t h ILE 116 Ca 0.04 -1.00 0.12 0.00 1.00 0.00 0.00 64.86 65.01 3a3t h ILE 116 Cb 0.97 1.60 -0.09 0.00 -0.74 0.00 0.00 36.82 38.56 3a3t h ILE 116 CO 0.09 0.30 0.27 -0.26 0.00 0.00 0.00 178.15 178.55 3a3t h PHE 117 N 0.04 0.47 -0.29 1.37 0.04 -0.22 -1.99 116.94 116.36 3a3t h PHE 117 Ca 0.04 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.69 3a3t h PHE 117 Cb 0.48 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 3a3t h PHE 117 CO 0.05 0.08 -0.45 0.22 -0.60 0.00 0.00 178.31 177.62 3a3t h ASP 118 N 0.44 0.80 -0.99 2.17 3.58 -0.86 0.84 116.42 122.40 3a3t h ASP 118 Ca 0.37 -0.38 0.02 0.00 0.42 0.00 0.00 57.03 57.46 3a3t h ASP 118 Cb 0.52 -0.23 -0.05 0.00 1.72 0.00 0.00 39.33 41.29 3a3t h ASP 118 CO -0.36 1.13 0.65 0.00 -2.88 0.00 0.00 179.24 177.78 3a3t h ALA 119 N 0.90 1.32 0.00 -0.78 0.00 -0.55 -1.82 119.26 118.33 3a3t h ALA 119 Ca 0.04 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.73 3a3t h ALA 119 Cb 1.00 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 3a3t h ALA 119 CO 0.10 0.61 -0.90 0.52 0.00 0.00 0.00 179.25 179.57 3a3t h MET 120 N 1.30 0.00 -0.21 0.00 2.86 -1.21 -0.65 114.93 117.02 3a3t h MET 120 Ca 0.38 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.84 3a3t h MET 120 Cb -0.08 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3a3t h MET 120 CO -0.10 0.90 -0.58 0.28 1.06 0.00 0.00 176.91 178.47 3a3t h VAL 121 N -1.00 1.30 0.00 -2.22 2.07 -0.91 -2.70 116.25 112.79 3a3t h VAL 121 Ca -0.24 -1.79 -0.29 0.00 0.82 0.00 0.00 66.70 65.20 3a3t h VAL 121 Cb 1.15 1.85 -0.05 0.00 -1.52 0.00 0.00 31.29 32.71 3a3t h VAL 121 CO -0.14 0.57 -2.27 0.59 0.02 0.00 0.00 177.57 176.33 3a3t n ASN 122 N -4.07 0.17 -0.01 0.57 5.03 -0.73 -4.55 115.26 111.68 3a3t n ASN 122 Ca -0.06 0.00 0.07 0.00 0.87 0.00 0.00 54.58 55.46 3a3t n ASN 122 Cb 0.64 1.17 -0.09 0.00 -1.02 0.00 0.00 39.78 40.48 3a3t n ASN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3a3t n GLN 123 N -2.63 1.90 -2.87 3.52 6.02 -0.90 -5.00 117.38 117.42 3a3t n GLN 123 Ca -0.27 -0.01 -0.21 0.00 -0.01 0.00 0.00 57.00 56.50 3a3t n GLN 123 Cb 1.03 -1.23 0.01 0.00 1.02 0.00 0.00 30.24 31.07 3a3t n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3a3t n LYS 124 N -1.35 -3.65 -2.64 -1.09 4.76 -0.90 -4.95 118.16 108.34 3a3t n LYS 124 Ca 0.03 0.83 -0.41 0.00 -2.87 0.00 0.00 58.31 55.89 3a3t n LYS 124 Cb 0.24 -5.60 -0.04 0.00 -1.84 0.00 0.00 35.03 27.79 3a3t n LYS 124 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3a3t s ILE 125 N -3.05 4.25 -1.33 -0.18 1.01 -0.30 -4.96 121.20 116.64 3a3t s ILE 125 Ca 0.22 1.88 -0.13 0.00 0.00 0.00 0.00 60.65 62.62 3a3t s ILE 125 Cb -0.10 -4.20 0.11 0.00 0.01 0.00 0.00 42.46 38.27 3a3t s ILE 125 CO 0.27 0.29 1.89 1.17 0.00 0.00 0.00 174.94 178.56 3a3t n LYS 126 N 2.69 3.24 0.03 2.79 4.81 -1.26 -4.44 118.16 126.02 3a3t n LYS 126 Ca 0.03 -3.23 0.09 0.00 -0.87 0.00 0.00 58.31 54.32 3a3t n LYS 126 Cb 0.48 -3.18 0.37 0.00 0.02 0.00 0.00 35.03 32.72 3a3t n LYS 126 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3a3t n LEU 127 N 5.78 0.16 0.10 3.14 4.77 -1.26 -1.72 117.00 127.98 3a3t n LEU 127 Ca 0.45 0.54 0.12 0.00 -0.03 0.00 0.00 56.01 57.09 3a3t n LEU 127 Cb 0.40 -0.51 0.45 0.00 -2.33 0.00 0.00 43.42 41.43 3a3t n LEU 127 CO 0.80 -0.31 0.86 0.00 -1.33 0.00 0.00 177.39 177.42 3a3t n GLN 128 N -1.68 0.19 -2.97 3.23 0.00 -1.26 -4.43 117.38 110.45 3a3t n GLN 128 Ca 0.03 0.30 -0.42 0.00 0.00 0.00 0.00 57.00 56.92 3a3t n GLN 128 Cb 0.20 -1.79 -0.05 0.00 0.00 0.00 0.00 30.24 28.60 3a3t n GLN 128 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3a3t s ASN 129 N -4.15 6.67 0.23 2.61 3.84 -0.70 -4.72 114.94 118.73 3a3t s ASN 129 Ca 0.08 0.73 -0.07 0.00 0.21 0.00 0.00 52.86 53.81 3a3t s ASN 129 Cb 0.11 -2.40 0.31 0.00 -0.55 0.00 0.00 41.25 38.73 3a3t s ASN 129 CO 0.47 -0.54 1.82 -0.65 -2.79 0.00 0.00 177.10 175.40 3a3t h PRO 130 N 7.99 0.78 -0.59 0.43 0.11 -1.86 0.15 132.00 139.00 3a3t h PRO 130 Ca -0.25 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.71 3a3t h PRO 130 Cb 1.10 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 3a3t h PRO 130 CO 0.86 0.52 -0.03 1.49 -0.21 0.00 0.00 178.00 180.62 3a3t h GLU 131 N 0.80 1.07 -0.23 1.05 4.81 -1.94 -0.03 114.58 120.10 3a3t h GLU 131 Ca 0.35 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3a3t h GLU 131 Cb 0.23 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3a3t h GLU 131 CO -0.20 1.06 0.05 0.28 -0.73 0.00 0.00 179.01 179.47 3a3t h VAL 132 N 0.97 1.22 -0.10 0.32 2.07 -1.69 -2.64 116.25 116.39 3a3t h VAL 132 Ca 0.16 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3a3t h VAL 132 Cb 0.60 1.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 3a3t h VAL 132 CO 0.04 0.22 0.07 0.25 0.02 0.00 0.00 177.57 178.17 3a3t h LEU 133 N 0.19 0.12 -0.95 2.57 5.85 -0.54 -1.12 115.31 121.43 3a3t h LEU 133 Ca 0.07 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3a3t h LEU 133 Cb 0.29 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3a3t h LEU 133 CO 0.00 0.09 0.63 0.11 -0.34 0.00 0.00 178.44 178.93 3a3t h LYS 134 N 0.14 1.25 0.07 1.25 1.57 -0.99 0.56 116.57 120.41 3a3t h LYS 134 Ca 0.04 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3a3t h LYS 134 Cb -0.01 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.02 3a3t h LYS 134 CO -0.01 0.83 -0.03 -0.22 -0.57 0.00 0.00 179.45 179.45 3a3t h LYS 135 N 1.28 -0.09 -0.93 3.15 3.64 -1.34 -2.84 116.57 119.44 3a3t h LYS 135 Ca 0.35 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.85 3a3t h LYS 135 Cb -0.15 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 31.61 3a3t h LYS 135 CO -0.07 0.19 0.56 2.35 -2.27 0.00 0.00 179.45 180.20 3a3t h TRP 136 N -0.36 1.02 -0.44 1.91 7.01 -0.67 -1.37 115.95 123.04 3a3t h TRP 136 Ca -0.01 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 3a3t h TRP 136 Cb 0.32 -0.31 -0.02 0.00 -2.10 0.00 0.00 29.16 27.04 3a3t h TRP 136 CO 0.02 0.38 0.04 -0.07 -2.79 0.00 0.00 178.44 176.02 3a3t h LEU 137 N 0.88 0.65 -1.39 0.65 3.38 -0.86 -2.37 115.31 116.25 3a3t h LEU 137 Ca 0.47 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 3a3t h LEU 137 Cb 0.49 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3a3t h LEU 137 CO -0.28 0.70 -0.29 1.23 0.09 0.00 0.00 178.44 179.89 3a3t h GLY 138 N 0.92 0.00 1.63 0.83 0.00 -1.01 -2.77 103.07 102.67 3a3t h GLY 138 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3a3t h GLY 138 CO 0.01 0.00 -0.28 0.83 0.00 0.00 0.00 176.54 177.10 3a3t h GLU 139 N 0.00 0.00 -6.52 4.80 5.08 -1.09 -3.47 114.58 113.39 3a3t h GLU 139 Ca -0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 3a3t h GLU 139 Cb 0.60 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.86 3a3t h GLU 139 CO 0.04 0.00 0.61 -0.65 -1.00 0.00 0.00 179.01 178.01 3a3t s GLN 140 N -3.14 4.40 -0.00 2.33 -1.52 -1.04 -4.91 119.66 115.77 3a3t s GLN 140 Ca 0.08 1.88 0.00 0.00 -1.95 0.00 0.00 55.36 55.37 3a3t s GLN 140 Cb 0.12 -3.31 -0.00 0.00 -0.22 0.00 0.00 33.01 29.60 3a3t s GLN 140 CO 0.66 -0.31 0.00 -2.37 -0.25 0.00 0.00 175.29 173.02 3a3t n THR 141 N 3.84 0.00 0.31 -0.19 5.66 -1.26 -3.96 114.28 118.68 3a3t n THR 141 Ca 0.09 -0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.25 3a3t n THR 141 Cb 0.45 0.49 0.66 0.00 -1.55 0.00 0.00 70.33 70.38 3a3t n THR 141 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3a3t h ALA 142 N 0.01 1.00 -2.87 1.79 0.00 -2.00 -3.44 119.26 113.75 3a3t h ALA 142 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 3a3t h ALA 142 Cb 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 3a3t h ALA 142 CO 0.00 0.00 -0.27 -0.59 0.00 0.00 0.00 179.25 178.39 3a3t s PHE 143 N -3.61 1.06 -1.24 0.00 -0.71 -1.26 -4.88 117.98 107.34 3a3t s PHE 143 Ca 0.02 -1.27 -0.19 0.00 -1.04 0.00 0.00 56.93 54.45 3a3t s PHE 143 Cb 0.09 -0.18 0.06 0.00 -1.21 0.00 0.00 43.02 41.78 3a3t s PHE 143 CO 0.50 -1.02 1.70 0.34 -1.34 0.00 0.00 175.22 175.40 3a3t s ASP 144 N -3.21 6.71 0.41 1.98 -1.08 -1.26 -4.77 116.67 115.45 3a3t s ASP 144 Ca 0.32 -2.24 0.08 0.00 -0.52 0.00 0.00 52.55 50.19 3a3t s ASP 144 Cb 0.01 -2.58 0.88 0.00 -1.46 0.00 0.00 42.92 39.77 3a3t s ASP 144 CO 0.19 -1.30 2.06 1.23 0.52 0.00 0.00 175.17 177.86 3a3t h GLY 145 N 12.82 0.54 1.58 2.66 0.00 -1.75 -2.04 103.07 116.89 3a3t h GLY 145 Ca 0.40 -0.21 -0.23 0.00 0.00 0.00 0.00 47.33 47.29 3a3t h GLY 145 CO 1.45 0.20 -0.98 0.50 0.00 0.00 0.00 176.54 177.71 3a3t h LYS 146 N 0.52 0.37 -0.42 4.80 1.57 -1.86 -0.89 116.57 120.66 3a3t h LYS 146 Ca 0.14 -0.42 -0.12 0.00 -1.87 0.00 0.00 60.65 58.38 3a3t h LYS 146 Cb -0.05 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3a3t h LYS 146 CO -0.03 1.11 -0.22 -0.22 -0.57 0.00 0.00 179.45 179.52 3a3t h LYS 147 N 0.19 0.83 -0.71 3.15 3.64 -1.87 -0.80 116.57 121.01 3a3t h LYS 147 Ca -0.08 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 3a3t h LYS 147 Cb 1.63 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.38 3a3t h LYS 147 CO 0.17 0.97 0.19 0.28 -2.27 0.00 0.00 179.45 178.79 3a3t h VAL 148 N 0.73 1.26 -0.85 2.00 2.07 -1.30 -2.07 116.25 118.10 3a3t h VAL 148 Ca 0.10 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 3a3t h VAL 148 Cb 0.75 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3a3t h VAL 148 CO 0.06 0.37 0.47 0.25 0.02 0.00 0.00 177.57 178.73 3a3t h LEU 149 N 1.07 1.05 0.01 2.57 5.85 -0.80 0.12 115.31 125.17 3a3t h LEU 149 Ca 0.22 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.87 3a3t h LEU 149 Cb 0.35 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3a3t h LEU 149 CO -0.00 0.84 -0.10 0.00 -0.34 0.00 0.00 178.44 178.85 3a3t h ALA 150 N 1.33 -0.11 -0.67 1.25 0.00 -0.91 -0.54 119.26 119.61 3a3t h ALA 150 Ca 0.30 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.22 3a3t h ALA 150 Cb 0.02 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3a3t h ALA 150 CO -0.05 -0.59 0.44 0.00 0.00 0.00 0.00 179.25 179.05 3a3t h ALA 151 N 0.80 0.85 -0.31 0.00 0.00 -0.73 -1.78 119.26 118.08 3a3t h ALA 151 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3a3t h ALA 151 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a3t h ALA 151 CO -0.09 0.27 0.15 -0.92 0.00 0.00 0.00 179.25 178.66 3a3t h TYR 152 N 0.91 0.42 0.00 0.00 3.20 -0.51 -2.20 116.97 118.78 3a3t h TYR 152 Ca 0.25 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 3a3t h TYR 152 Cb -0.10 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 3a3t h TYR 152 CO -0.03 0.32 -0.38 0.93 -1.64 0.00 0.00 178.16 177.36 3a3t h GLU 153 N 0.43 0.00 -7.13 1.82 5.08 -0.31 -3.45 114.58 111.02 3a3t h GLU 153 Ca 0.11 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.98 3a3t h GLU 153 Cb 0.05 0.00 0.06 0.00 0.50 0.00 0.00 28.75 29.36 3a3t h GLU 153 CO -0.02 0.38 0.39 -1.54 -1.00 0.00 0.00 179.01 177.23 3a3t s SER 154 N -6.39 5.86 0.33 1.42 1.04 -0.74 -4.97 113.70 110.24 3a3t s SER 154 Ca 0.04 1.97 0.02 0.00 0.48 0.00 0.00 55.95 58.47 3a3t s SER 154 Cb 0.07 -2.56 0.56 0.00 0.10 0.00 0.00 66.02 64.20 3a3t s SER 154 CO 0.72 -1.12 1.90 -0.65 0.98 0.00 0.00 173.24 175.07 3a3t h PRO 155 N 0.95 0.68 -0.97 4.02 0.11 -1.88 -2.96 132.00 131.94 3a3t h PRO 155 Ca -0.49 -0.11 0.20 0.00 0.11 0.00 0.00 66.00 65.72 3a3t h PRO 155 Cb 1.23 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 32.14 3a3t h PRO 155 CO 0.57 0.60 0.62 1.49 -0.21 0.00 0.00 178.00 181.07 3a3t h GLU 156 N 0.66 0.55 -0.50 1.05 4.81 -1.93 -0.20 114.58 119.02 3a3t h GLU 156 Ca 0.15 -0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.25 3a3t h GLU 156 Cb 0.22 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3a3t h GLU 156 CO -0.01 0.36 -0.08 0.66 -0.73 0.00 0.00 179.01 179.21 3a3t h SER 157 N 0.56 0.90 0.58 1.04 4.64 -1.69 -0.51 113.55 119.07 3a3t h SER 157 Ca 0.53 -0.27 -0.14 0.00 -0.47 0.00 0.00 61.79 61.44 3a3t h SER 157 Cb 1.09 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 3a3t h SER 157 CO -0.27 1.00 -0.66 -0.61 -0.87 0.00 0.00 176.83 175.42 3a3t h GLN 158 N 0.82 0.07 -0.77 4.77 5.75 -1.38 -1.23 115.11 123.12 3a3t h GLN 158 Ca 0.14 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.54 3a3t h GLN 158 Cb 0.60 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.13 3a3t h GLN 158 CO 0.04 0.70 0.31 0.00 -2.65 0.00 0.00 178.83 177.22 3a3t h ALA 159 N 1.29 1.08 -0.33 3.38 0.00 -0.31 0.49 119.26 124.85 3a3t h ALA 159 Ca -0.01 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 3a3t h ALA 159 Cb 1.17 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3a3t h ALA 159 CO 0.09 0.65 -0.43 0.00 0.00 0.00 0.00 179.25 179.56 3a3t h ARG 160 N 1.12 0.84 -0.84 0.00 3.08 -0.98 -2.87 114.38 114.73 3a3t h ARG 160 Ca 0.26 -0.46 0.01 0.00 0.07 0.00 0.00 59.98 59.85 3a3t h ARG 160 Cb 0.21 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.25 3a3t h ARG 160 CO -0.02 1.10 0.55 0.00 -1.07 0.00 0.00 179.97 180.53 3a3t h ALA 161 N 0.83 1.07 -0.66 0.04 0.00 -0.77 -1.09 119.26 118.67 3a3t h ALA 161 Ca 0.05 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 3a3t h ALA 161 Cb 1.01 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 3a3t h ALA 161 CO 0.10 0.48 0.41 -0.44 0.00 0.00 0.00 179.25 179.80 3a3t h ASP 162 N 1.14 0.79 -0.82 0.00 3.32 -0.84 -1.33 116.42 118.68 3a3t h ASP 162 Ca 0.31 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 3a3t h ASP 162 Cb -0.12 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.20 3a3t h ASP 162 CO -0.07 0.60 0.36 0.50 -1.72 0.00 0.00 179.24 178.91 3a3t h LYS 163 N 0.90 1.20 -0.73 3.56 1.63 -1.24 -1.56 116.57 120.33 3a3t h LYS 163 Ca 0.24 -0.20 -0.01 0.00 -0.85 0.00 0.00 60.65 59.83 3a3t h LYS 163 Cb -0.05 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.34 3a3t h LYS 163 CO -0.05 0.95 0.42 0.52 -3.45 0.00 0.00 179.45 177.84 3a3t h MET 164 N 1.18 1.01 -0.84 1.90 2.86 -0.70 -0.37 114.93 119.96 3a3t h MET 164 Ca 0.28 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 3a3t h MET 164 Cb 0.17 -0.20 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 3a3t h MET 164 CO -0.03 0.73 0.49 0.37 1.06 0.00 0.00 176.91 179.54 3a3t h GLN 165 N 1.00 1.15 -0.53 1.72 4.15 -0.93 -1.35 115.11 120.33 3a3t h GLN 165 Ca 0.26 -0.12 -0.03 0.00 0.77 0.00 0.00 58.65 59.53 3a3t h GLN 165 Cb 0.01 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 27.44 3a3t h GLN 165 CO -0.04 0.83 0.20 1.49 -1.93 0.00 0.00 178.83 179.37 3a3t h GLU 166 N 1.16 0.80 -0.57 1.69 4.22 -0.71 -2.36 114.58 118.81 3a3t h GLU 166 Ca 0.30 -0.15 0.01 0.00 0.08 0.00 0.00 59.36 59.59 3a3t h GLU 166 Cb -0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3a3t h GLU 166 CO -0.05 0.71 0.37 -0.07 -2.18 0.00 0.00 179.01 177.80 3a3t h LEU 167 N 0.72 0.65 -0.39 1.64 3.38 -0.71 0.12 115.31 120.71 3a3t h LEU 167 Ca 0.17 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.18 3a3t h LEU 167 Cb 0.23 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.77 3a3t h LEU 167 CO -0.01 0.47 0.13 0.74 0.09 0.00 0.00 178.44 179.86 3a3t h THR 168 N 0.77 0.87 -0.00 0.22 2.02 -1.10 -2.10 112.91 113.58 3a3t h THR 168 Ca 0.21 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 3a3t h THR 168 Cb -0.09 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3a3t h THR 168 CO -0.05 0.05 -0.09 -0.33 0.37 0.00 0.00 175.52 175.48 3a3t h GLU 169 N 0.28 0.07 -0.89 6.66 5.08 -1.10 -1.07 114.58 123.61 3a3t h GLU 169 Ca 0.18 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 3a3t h GLU 169 Cb 0.17 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 3a3t h GLU 169 CO -0.19 0.81 0.58 1.15 -1.00 0.00 0.00 179.01 180.36 3a3t h THR 170 N -0.65 1.16 -0.49 1.13 2.02 -0.78 -2.72 112.91 112.57 3a3t h THR 170 Ca -0.01 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.79 3a3t h THR 170 Cb 0.84 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 3a3t h THR 170 CO 0.02 0.20 0.00 0.49 0.37 0.00 0.00 175.52 176.60 3a3t n PHE 171 N -4.44 0.65 -3.57 3.16 3.72 -0.79 -4.97 117.46 111.21 3a3t n PHE 171 Ca 0.12 -0.44 -0.23 0.00 -0.05 0.00 0.00 57.45 56.85 3a3t n PHE 171 Cb 0.10 -0.01 0.08 0.00 -0.94 0.00 0.00 39.48 38.71 3a3t n PHE 171 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3a3t n GLN 172 N 1.11 -7.80 -2.48 -1.08 6.02 -0.68 -4.90 117.38 107.57 3a3t n GLN 172 Ca 0.18 0.83 -0.41 0.00 -0.01 0.00 0.00 57.00 57.59 3a3t n GLN 172 Cb 0.52 -5.88 -0.03 0.00 1.02 0.00 0.00 30.24 25.88 3a3t n GLN 172 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a3t s ILE 173 N -3.32 3.70 -1.85 5.09 -1.09 -0.49 -4.81 121.20 118.42 3a3t s ILE 173 Ca 0.51 0.43 0.16 0.00 -2.23 0.00 0.00 60.65 59.53 3a3t s ILE 173 Cb -0.23 -4.76 0.20 0.00 -1.58 0.00 0.00 42.46 36.10 3a3t s ILE 173 CO 0.73 -1.67 1.10 -0.90 -1.23 0.00 0.00 174.94 172.97 3a3t n ASP 174 N 9.75 2.58 -4.06 3.58 5.75 -1.26 -4.88 116.55 128.01 3a3t n ASP 174 Ca 0.06 -1.75 -0.10 0.00 -0.01 0.00 0.00 54.79 52.99 3a3t n ASP 174 Cb 0.49 -0.08 -0.11 0.00 -1.03 0.00 0.00 41.12 40.40 3a3t n ASP 174 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 3a3t s GLY 175 N -1.26 0.46 -0.01 6.12 0.00 -1.26 -5.16 107.32 106.21 3a3t s GLY 175 Ca 0.22 -0.90 0.03 0.00 0.00 0.00 0.00 44.72 44.08 3a3t s GLY 175 CO 0.21 -0.97 -0.11 -0.51 0.00 0.00 0.00 173.10 171.71 3a3t s THR 176 N -2.28 0.88 0.60 0.90 -4.23 -1.26 -3.92 115.64 106.33 3a3t s THR 176 Ca -0.05 -0.48 -0.14 0.00 -1.18 0.00 0.00 61.69 59.84 3a3t s THR 176 Cb -0.04 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 73.03 3a3t s THR 176 CO -0.03 0.25 1.04 -2.84 -0.54 0.00 0.00 174.62 172.49 3a3t s PRO 177 N -0.27 3.40 -0.11 3.99 0.02 -1.26 -4.81 135.00 135.97 3a3t s PRO 177 Ca 0.04 1.04 -0.00 0.00 0.02 0.00 0.00 61.00 62.10 3a3t s PRO 177 Cb -0.04 -2.05 0.02 0.00 0.02 0.00 0.00 34.50 32.45 3a3t s PRO 177 CO -0.00 -0.73 -0.07 0.99 -0.33 0.00 0.00 177.00 176.86 3a3t s THR 178 N -2.70 0.93 -0.18 0.99 2.01 -0.60 -5.00 115.64 111.09 3a3t s THR 178 Ca 0.60 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 3a3t s THR 178 Cb -0.14 -0.96 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 3a3t s THR 178 CO 0.41 0.35 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.91 3a3t s VAL 179 N 1.72 3.16 -0.05 3.82 1.01 -1.26 -0.70 120.40 128.10 3a3t s VAL 179 Ca 0.04 -0.59 0.05 0.00 0.00 0.00 0.00 61.98 61.48 3a3t s VAL 179 Cb -0.13 -2.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.85 3a3t s VAL 179 CO -0.07 0.48 -0.19 -0.63 0.00 0.00 0.00 175.10 174.68 3a3t s ILE 180 N 0.95 2.64 -0.14 2.22 -1.09 0.17 -1.21 121.20 124.74 3a3t s ILE 180 Ca -0.01 -0.87 0.02 0.00 -2.23 0.00 0.00 60.65 57.55 3a3t s ILE 180 Cb -0.15 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.73 3a3t s ILE 180 CO -0.00 0.58 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.41 3a3t s VAL 181 N -0.53 2.43 -1.65 2.92 1.01 -0.23 0.02 120.40 124.37 3a3t s VAL 181 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3a3t s VAL 181 Cb -0.11 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.27 3a3t s VAL 181 CO 0.01 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3a3t n GLY 182 N 3.91 1.58 3.28 4.51 0.00 0.10 -2.57 105.19 115.99 3a3t n GLY 182 Ca -0.19 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.54 3a3t n GLY 182 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a3t n GLY 183 N -1.07 2.69 0.00 -0.02 0.00 -1.26 -4.76 105.19 100.77 3a3t n GLY 183 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3a3t n GLY 183 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a3t n LYS 184 N -1.99 3.57 -4.02 1.61 5.02 -1.11 -1.07 118.16 120.17 3a3t n LYS 184 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 3a3t n LYS 184 Cb 0.00 -0.65 -0.15 0.00 -0.02 0.00 0.00 35.03 34.20 3a3t n LYS 184 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 3a3t s TYR 185 N -1.22 2.81 -0.13 2.13 2.02 -1.06 -1.56 117.35 120.33 3a3t s TYR 185 Ca 0.00 -1.96 -0.23 0.00 -0.37 0.00 0.00 57.07 54.50 3a3t s TYR 185 Cb 0.00 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.76 3a3t s TYR 185 CO 0.00 -0.82 0.72 0.21 -1.57 0.00 0.00 175.55 174.09 3a3t s LYS 186 N 1.26 4.34 0.05 -0.62 2.20 0.36 -1.07 119.74 126.26 3a3t s LYS 186 Ca -0.05 0.85 -0.30 0.00 -0.36 0.00 0.00 55.97 56.10 3a3t s LYS 186 Cb -0.18 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.57 3a3t s LYS 186 CO -0.07 -0.13 1.12 0.08 -0.36 0.00 0.00 175.35 176.00 3a3t s VAL 187 N 1.47 4.31 -0.31 4.02 1.01 -0.35 -0.04 120.40 130.52 3a3t s VAL 187 Ca 0.35 1.68 -0.11 0.00 0.00 0.00 0.00 61.98 63.90 3a3t s VAL 187 Cb -0.17 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 3a3t s VAL 187 CO 0.14 0.14 0.18 -1.61 0.00 0.00 0.00 175.10 173.96 3a3t s GLU 188 N 0.96 3.59 -0.31 2.72 0.41 -0.18 -4.65 118.70 121.25 3a3t s GLU 188 Ca 0.56 -0.56 -0.18 0.00 -0.41 0.00 0.00 54.97 54.38 3a3t s GLU 188 Cb -0.27 -3.65 -0.01 0.00 -1.78 0.00 0.00 34.13 28.42 3a3t s GLU 188 CO 0.29 -0.34 0.53 -0.06 -0.49 0.00 0.00 175.26 175.20 3a3t s PHE 189 N 1.69 3.21 0.02 1.61 0.08 -1.26 -4.65 117.98 118.68 3a3t s PHE 189 Ca 0.06 0.42 -0.15 0.00 0.12 0.00 0.00 56.93 57.38 3a3t s PHE 189 Cb -0.17 -2.87 -0.35 0.00 -0.57 0.00 0.00 43.02 39.07 3a3t s PHE 189 CO 0.09 -0.43 0.94 0.00 -0.10 0.00 0.00 175.22 175.72 3a3t h ALA 190 N 8.26 -0.11 -2.90 5.36 0.00 -1.95 -3.48 119.26 124.43 3a3t h ALA 190 Ca -0.28 -0.91 0.02 0.00 0.00 0.00 0.00 54.91 53.74 3a3t h ALA 190 Cb 1.13 0.23 -0.11 0.00 0.00 0.00 0.00 17.79 19.04 3a3t h ALA 190 CO 0.76 0.75 0.25 0.16 0.00 0.00 0.00 179.25 181.17 3a3t s ASP 191 N -7.54 -0.48 0.20 0.00 -4.77 -1.26 -5.07 116.67 97.75 3a3t s ASP 191 Ca -0.10 -0.13 -0.08 0.00 -3.30 0.00 0.00 52.55 48.94 3a3t s ASP 191 Cb 0.04 0.60 0.14 0.00 -1.09 0.00 0.00 42.92 42.61 3a3t s ASP 191 CO 0.93 -1.00 1.76 -0.50 0.70 0.00 0.00 175.17 177.06 3a3t h TRP 192 N 2.00 1.18 -0.26 2.11 -0.00 -1.98 -1.46 115.95 117.54 3a3t h TRP 192 Ca -0.30 -0.10 -0.08 0.00 -0.00 0.00 0.00 58.89 58.41 3a3t h TRP 192 Cb 1.29 -0.35 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 3a3t h TRP 192 CO 0.27 0.91 -0.15 0.93 -0.00 0.00 0.00 178.44 180.41 3a3t h GLU 193 N 1.10 0.55 -0.32 0.49 3.07 -1.99 -2.14 114.58 115.35 3a3t h GLU 193 Ca 0.25 -0.25 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 3a3t h GLU 193 Cb 0.26 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 3a3t h GLU 193 CO -0.01 0.82 -0.31 0.66 -1.40 0.00 0.00 179.01 178.76 3a3t h SER 194 N 0.28 0.71 -0.35 1.42 4.64 -1.97 -2.71 113.55 115.57 3a3t h SER 194 Ca 0.05 -0.28 0.05 0.00 -0.47 0.00 0.00 61.79 61.14 3a3t h SER 194 Cb 0.67 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 3a3t h SER 194 CO 0.04 0.97 0.24 1.23 -0.87 0.00 0.00 176.83 178.44 3a3t h GLY 195 N 0.99 0.29 1.39 -0.77 0.00 -1.12 -0.95 103.07 102.90 3a3t h GLY 195 Ca 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 3a3t h GLY 195 CO 0.07 0.08 0.37 -0.33 0.00 0.00 0.00 176.54 176.73 3a3t h MET 196 N 0.24 0.82 -0.00 4.80 2.86 -1.05 -0.17 114.93 122.44 3a3t h MET 196 Ca 0.15 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.52 3a3t h MET 196 Cb 0.30 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3a3t h MET 196 CO -0.03 0.57 -0.88 -0.91 1.06 0.00 0.00 176.91 176.72 3a3t h ASN 197 N 0.83 0.35 -0.63 1.22 -0.26 -1.26 -2.28 115.58 113.55 3a3t h ASN 197 Ca 0.22 -0.28 0.06 0.00 -0.56 0.00 0.00 56.30 55.74 3a3t h ASN 197 Cb -0.04 -0.11 -0.05 0.00 -1.06 0.00 0.00 38.32 37.06 3a3t h ASN 197 CO -0.04 1.07 0.34 0.74 -1.06 0.00 0.00 177.43 178.48 3a3t h THR 198 N 0.15 0.96 -0.20 2.81 2.02 -0.74 -0.59 112.91 117.32 3a3t h THR 198 Ca -0.05 -0.22 0.04 0.00 0.77 0.00 0.00 66.41 66.95 3a3t h THR 198 Cb 1.51 0.26 -0.04 0.00 -1.74 0.00 0.00 68.15 68.14 3a3t h THR 198 CO 0.14 0.12 -0.07 0.40 0.37 0.00 0.00 175.52 176.47 3a3t h ILE 199 N 0.64 0.74 -0.90 3.11 2.04 -0.82 -0.36 117.51 121.96 3a3t h ILE 199 Ca 0.28 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.16 3a3t h ILE 199 Cb 0.18 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 3a3t h ILE 199 CO -0.18 0.00 0.60 0.44 0.00 0.00 0.00 178.15 179.01 3a3t h ASP 200 N -0.04 1.02 -0.36 1.72 3.32 -0.83 0.03 116.42 121.28 3a3t h ASP 200 Ca 0.10 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 57.02 3a3t h ASP 200 Cb 0.19 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 3a3t h ASP 200 CO -0.23 0.73 -0.21 -0.07 -1.72 0.00 0.00 179.24 177.74 3a3t h LEU 201 N 1.20 0.82 -1.25 1.55 3.38 -0.75 -2.46 115.31 117.80 3a3t h LEU 201 Ca 0.34 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3a3t h LEU 201 Cb -0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.41 3a3t h LEU 201 CO -0.08 1.06 -0.25 -0.07 0.09 0.00 0.00 178.44 179.19 3a3t h LEU 202 N 0.57 0.20 -0.28 1.67 3.38 -0.55 -0.91 115.31 119.40 3a3t h LEU 202 Ca 0.08 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3a3t h LEU 202 Cb 0.77 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3a3t h LEU 202 CO 0.06 0.46 0.04 0.00 0.09 0.00 0.00 178.44 179.09 3a3t h ALA 203 N 1.56 0.38 -0.81 1.53 0.00 -0.82 0.38 119.26 121.48 3a3t h ALA 203 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a3t h ALA 203 Cb 0.54 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3a3t h ALA 203 CO 0.04 0.07 0.51 -0.44 0.00 0.00 0.00 179.25 179.43 3a3t h ASP 204 N 0.29 0.95 -0.93 0.00 3.32 -1.15 0.12 116.42 119.02 3a3t h ASP 204 Ca 0.09 -0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3a3t h ASP 204 Cb 0.35 -0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3a3t h ASP 204 CO 0.01 0.72 0.57 0.50 -1.72 0.00 0.00 179.24 179.32 3a3t h LYS 205 N 1.10 1.25 -0.30 3.56 3.64 -0.79 -0.87 116.57 124.16 3a3t h LYS 205 Ca 0.29 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.41 3a3t h LYS 205 Cb -0.08 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.47 3a3t h LYS 205 CO -0.06 0.86 -0.45 0.28 -2.27 0.00 0.00 179.45 177.81 3a3t h VAL 206 N 1.28 1.29 -0.82 2.00 2.07 -0.42 -2.45 116.25 119.20 3a3t h VAL 206 Ca 0.34 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.18 3a3t h VAL 206 Cb -0.08 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3a3t h VAL 206 CO -0.07 0.53 0.35 0.03 0.02 0.00 0.00 177.57 178.44 3a3t h ARG 207 N 0.63 1.21 -0.30 1.57 3.08 -0.22 -0.90 114.38 119.45 3a3t h ARG 207 Ca 0.04 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.81 3a3t h ARG 207 Cb 1.02 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.86 3a3t h ARG 207 CO 0.10 0.96 -0.10 0.93 -1.07 0.00 0.00 179.97 180.79 3a3t h GLU 208 N 1.18 0.60 -0.90 0.04 4.39 -1.16 -3.02 114.58 115.72 3a3t h GLU 208 Ca 0.28 -0.24 0.02 0.00 0.34 0.00 0.00 59.36 59.75 3a3t h GLU 208 Cb 0.18 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.76 3a3t h GLU 208 CO -0.03 0.80 0.59 0.93 -1.16 0.00 0.00 179.01 180.15 3a3t h GLU 209 N 0.36 1.15 0.00 2.33 5.08 -1.23 -2.13 114.58 120.14 3a3t h GLU 209 Ca 0.07 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3a3t h GLU 209 Cb 0.60 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 3a3t h GLU 209 CO 0.03 0.76 -0.07 1.96 -1.00 0.00 0.00 179.01 180.70 3a3t h GLN 210 N 1.18 0.00 -4.69 2.33 4.20 -1.04 -3.17 115.11 113.92 3a3t h GLN 210 Ca 0.34 0.00 -0.74 0.00 0.06 0.00 0.00 58.65 58.31 3a3t h GLN 210 Cb -0.09 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 27.51 3a3t h GLN 210 CO -0.08 0.07 1.28 0.15 -0.67 0.00 0.00 178.83 179.57 3a3t s LYS 211 N -4.06 4.08 0.00 1.46 1.02 -0.80 -5.11 119.74 116.34 3a3t s LYS 211 Ca -0.02 -2.59 0.00 0.00 0.02 0.00 0.00 55.97 53.38 3a3t s LYS 211 Cb 0.12 -5.03 0.00 0.00 -0.52 0.00 0.00 37.83 32.40 3a3t s LYS 211 CO 0.54 -1.74 0.00 0.00 -0.92 0.00 0.00 175.35 173.23