#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t19 s GLU 2 N 0.00 4.19 -0.40 2.12 0.41 -0.11 -5.01 118.70 119.89 1t19 s GLU 2 Ca 0.00 0.32 -0.12 0.00 -0.41 0.00 0.00 54.97 54.76 1t19 s GLU 2 Cb 0.00 -3.55 0.04 0.00 -1.78 0.00 0.00 34.13 28.84 1t19 s GLU 2 CO 0.00 -0.09 0.26 -1.01 -0.49 0.00 0.00 175.26 173.93 1t19 s HIS 3 N 1.45 3.25 -0.03 1.61 3.76 -1.26 -4.59 115.29 119.48 1t19 s HIS 3 Ca 0.22 -0.93 -0.01 0.00 -0.15 0.00 0.00 55.06 54.20 1t19 s HIS 3 Cb -0.15 -2.60 0.03 0.00 1.11 0.00 0.00 32.58 30.97 1t19 s HIS 3 CO 0.09 -0.67 0.06 0.08 -0.85 0.00 0.00 174.74 173.45 1t19 s VAL 4 N 1.58 -0.05 0.05 -0.90 1.01 -1.26 -5.15 120.40 115.68 1t19 s VAL 4 Ca 0.03 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1t19 s VAL 4 Cb -0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 36.38 36.00 1t19 s VAL 4 CO 0.07 0.07 0.47 0.00 0.00 0.00 0.00 175.10 175.71 1t19 s ALA 5 N 0.97 3.66 0.23 5.51 0.00 -1.26 -4.72 121.76 126.15 1t19 s ALA 5 Ca -0.08 -0.16 -0.32 0.00 0.00 0.00 0.00 51.96 51.41 1t19 s ALA 5 Cb -0.11 -2.46 -0.13 0.00 0.00 0.00 0.00 23.12 20.43 1t19 s ALA 5 CO -0.03 0.47 1.54 0.34 0.00 0.00 0.00 175.76 178.07 1t19 n PHE 6 N 1.57 2.45 -0.68 0.00 -0.00 -1.26 -2.07 117.46 117.47 1t19 n PHE 6 Ca -0.11 0.29 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1t19 n PHE 6 Cb 0.52 -2.55 0.00 0.00 -0.00 0.00 0.00 39.48 37.45 1t19 n PHE 6 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1t19 n GLY 7 N 2.71 0.84 3.69 7.13 0.00 -1.26 -5.02 105.19 113.28 1t19 n GLY 7 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1t19 n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1t19 n SER 8 N 0.00 2.75 0.15 1.61 7.64 -0.88 -4.89 113.62 119.99 1t19 n SER 8 Ca 0.00 1.18 0.04 0.00 1.01 0.00 0.00 58.87 61.10 1t19 n SER 8 Cb 0.00 -1.46 0.44 0.00 -1.01 0.00 0.00 64.21 62.18 1t19 n SER 8 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1t19 h GLU 9 N 3.15 0.19 -0.74 1.43 3.07 -1.95 -2.70 114.58 117.03 1t19 h GLU 9 Ca -0.45 -0.04 -0.50 0.00 -0.50 0.00 0.00 59.36 57.87 1t19 h GLU 9 Cb 1.28 -0.03 -0.31 0.00 -0.84 0.00 0.00 28.75 28.85 1t19 h GLU 9 CO 0.67 0.30 -0.10 -0.25 -1.40 0.00 0.00 179.01 178.23 1t19 n ASP 10 N -4.32 5.15 0.07 1.42 8.00 -1.26 -4.74 116.55 120.87 1t19 n ASP 10 Ca -0.01 -3.77 0.02 0.00 0.71 0.00 0.00 54.79 51.74 1t19 n ASP 10 Cb 0.23 -0.62 0.39 0.00 -0.02 0.00 0.00 41.12 41.10 1t19 n ASP 10 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 1t19 h ILE 11 N 1.52 1.15 0.00 0.53 2.10 -1.86 -1.57 117.51 119.38 1t19 h ILE 11 Ca 0.41 -0.59 -0.07 0.00 1.08 0.00 0.00 64.86 65.69 1t19 h ILE 11 Cb 1.38 0.96 -0.01 0.00 -1.09 0.00 0.00 36.82 38.06 1t19 h ILE 11 CO 0.93 0.20 -0.34 1.05 -1.08 0.00 0.00 178.15 178.91 1t19 h GLU 12 N 0.36 0.00 -0.23 2.19 9.09 -1.86 -1.02 114.58 123.11 1t19 h GLU 12 Ca 0.08 0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.32 1t19 h GLU 12 Cb 0.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.34 1t19 h GLU 12 CO 0.00 0.34 -0.55 -0.91 0.05 0.00 0.00 179.01 177.95 1t19 h ASN 13 N 0.00 0.88 -0.57 3.06 4.21 -1.68 -2.66 115.58 118.82 1t19 h ASN 13 Ca -0.00 -0.56 -0.06 0.00 1.21 0.00 0.00 56.30 56.88 1t19 h ASN 13 Cb 0.69 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 1t19 h ASN 13 CO 0.04 1.28 0.12 0.74 -1.29 0.00 0.00 177.43 178.32 1t19 h THR 14 N 0.51 1.25 0.00 2.81 2.02 -1.21 -2.84 112.91 115.46 1t19 h THR 14 Ca -0.00 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.24 1t19 h THR 14 Cb 1.17 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.33 1t19 h THR 14 CO 0.12 0.34 -0.08 0.18 0.37 0.00 0.00 175.52 176.46 1t19 n LEU 15 N -4.35 0.41 0.32 2.58 4.32 -0.42 -3.12 117.00 116.73 1t19 n LEU 15 Ca 0.03 0.48 0.21 0.00 -0.02 0.00 0.00 56.01 56.70 1t19 n LEU 15 Cb 0.25 -0.39 1.09 0.00 -1.62 0.00 0.00 43.42 42.76 1t19 n LEU 15 CO 0.41 -0.07 1.14 0.00 -1.22 0.00 0.00 177.39 177.66 1t19 h ALA 16 N 2.78 1.06 -0.00 -1.18 0.00 -1.21 -2.73 119.26 117.97 1t19 h ALA 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t19 h ALA 16 Cb 0.61 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1t19 h ALA 16 CO 0.00 0.01 -0.41 0.36 0.00 0.00 0.00 179.25 179.21 1t19 n LYS 17 N -3.17 0.46 -3.38 0.00 2.85 -1.18 -4.92 118.16 108.82 1t19 n LYS 17 Ca -0.02 -0.29 -0.38 0.00 -1.05 0.00 0.00 58.31 56.57 1t19 n LYS 17 Cb 0.12 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 32.94 1t19 n LYS 17 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1t19 s MET 18 N -2.73 4.09 0.80 -1.58 -1.94 -1.03 -5.08 119.30 111.83 1t19 s MET 18 Ca 0.18 0.55 -0.05 0.00 -1.71 0.00 0.00 55.69 54.65 1t19 s MET 18 Cb 0.18 -3.26 0.15 0.00 2.01 0.00 0.00 34.83 33.92 1t19 s MET 18 CO 0.61 0.60 1.10 -0.51 -0.01 0.00 0.00 175.02 176.81 1t19 s ASP 19 N -0.85 3.94 0.35 3.03 -0.00 -1.26 -4.84 116.67 117.03 1t19 s ASP 19 Ca 0.26 -0.20 0.04 0.00 -0.00 0.00 0.00 52.55 52.66 1t19 s ASP 19 Cb -0.18 -0.06 0.65 0.00 -0.00 0.00 0.00 42.92 43.33 1t19 s ASP 19 CO 0.15 -2.15 1.92 -2.24 -0.00 0.00 0.00 175.17 172.85 1t19 h ASP 20 N -0.88 0.52 -0.49 0.27 3.04 -2.00 -1.06 116.42 115.82 1t19 h ASP 20 Ca -0.38 -0.07 0.01 0.00 -3.24 0.00 0.00 57.03 53.34 1t19 h ASP 20 Cb 1.26 -0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 39.39 1t19 h ASP 20 CO 0.39 0.53 0.32 1.23 -2.04 0.00 0.00 179.24 179.67 1t19 h GLY 21 N 0.79 0.69 1.38 7.15 0.00 -2.00 -2.84 103.07 108.23 1t19 h GLY 21 Ca 0.13 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.11 1t19 h GLY 21 CO -0.00 0.25 -0.15 1.46 0.00 0.00 0.00 176.54 178.10 1t19 h GLN 22 N 0.66 0.73 0.00 4.80 4.20 -1.80 -2.58 115.11 121.12 1t19 h GLN 22 Ca 0.18 -0.25 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1t19 h GLN 22 Cb -0.07 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 1t19 h GLN 22 CO -0.04 0.84 -0.13 -0.07 -0.67 0.00 0.00 178.83 178.76 1t19 h LEU 23 N 0.66 0.00 -0.20 1.46 3.38 -0.98 -0.63 115.31 118.99 1t19 h LEU 23 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1t19 h LEU 23 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1t19 h LEU 23 CO 0.04 0.13 0.00 0.47 0.09 0.00 0.00 178.44 179.17 1t19 n ASP 24 N -4.11 0.20 -0.52 -0.43 8.00 -0.97 -2.38 116.55 116.33 1t19 n ASP 24 Ca -0.02 0.55 0.12 0.00 0.71 0.00 0.00 54.79 56.14 1t19 n ASP 24 Cb 0.21 -0.59 0.43 0.00 -0.02 0.00 0.00 41.12 41.15 1t19 n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t19 n GLY 25 N 0.03 0.17 3.83 0.44 0.00 -0.24 -4.67 105.19 104.75 1t19 n GLY 25 Ca 0.03 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 1t19 n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t19 s LEU 26 N -1.72 3.52 0.00 0.99 1.43 -1.00 -0.94 118.68 120.96 1t19 s LEU 26 Ca 0.34 1.67 0.28 0.00 -1.03 0.00 0.00 54.13 55.39 1t19 s LEU 26 Cb 0.19 -4.52 1.45 0.00 0.03 0.00 0.00 46.19 43.34 1t19 s LEU 26 CO 0.29 -0.90 1.98 0.00 0.23 0.00 0.00 176.35 177.95 1t19 n ALA 27 N -1.94 2.41 -2.12 4.21 0.00 -1.26 -4.74 120.51 117.07 1t19 n ALA 27 Ca 0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.30 1t19 n ALA 27 Cb 0.53 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.43 1t19 n ALA 27 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 1t19 s PHE 28 N -2.53 0.64 0.33 0.00 -0.12 -1.26 -5.05 117.98 109.99 1t19 s PHE 28 Ca 0.28 -1.04 -0.28 0.00 -0.05 0.00 0.00 56.93 55.84 1t19 s PHE 28 Cb 0.19 -0.43 -0.10 0.00 -0.63 0.00 0.00 43.02 42.05 1t19 s PHE 28 CO 0.42 -0.32 1.28 0.20 -0.05 0.00 0.00 175.22 176.75 1t19 s GLY 29 N -2.96 3.00 -0.04 1.99 0.00 0.11 -4.61 107.32 104.81 1t19 s GLY 29 Ca 0.09 1.22 -0.01 0.00 0.00 0.00 0.00 44.72 46.02 1t19 s GLY 29 CO -0.08 1.85 0.07 0.00 0.00 0.00 0.00 173.10 174.95 1t19 s ALA 30 N -1.16 -0.03 -0.04 3.20 0.00 -1.26 -1.23 121.76 121.24 1t19 s ALA 30 Ca 0.49 0.43 0.05 0.00 0.00 0.00 0.00 51.96 52.93 1t19 s ALA 30 Cb -0.39 -0.34 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 1t19 s ALA 30 CO 0.51 -0.14 -0.18 0.42 0.00 0.00 0.00 175.76 176.36 1t19 s ILE 31 N 1.17 1.52 -0.15 0.00 1.01 -0.04 -1.59 121.20 123.12 1t19 s ILE 31 Ca -0.08 -0.78 -0.03 0.00 0.00 0.00 0.00 60.65 59.76 1t19 s ILE 31 Cb -0.12 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 1t19 s ILE 31 CO -0.04 0.44 -0.06 -1.58 0.00 0.00 0.00 174.94 173.69 1t19 s GLN 32 N -0.08 3.56 0.11 2.79 0.74 -0.46 -0.75 119.66 125.56 1t19 s GLN 32 Ca -0.02 -0.58 0.09 0.00 0.05 0.00 0.00 55.36 54.90 1t19 s GLN 32 Cb -0.11 -2.84 -0.04 0.00 1.10 0.00 0.00 33.01 31.12 1t19 s GLN 32 CO 0.02 0.19 -0.19 -0.51 -0.55 0.00 0.00 175.29 174.25 1t19 s LEU 33 N 0.48 2.67 0.00 3.68 1.43 0.43 -0.34 118.68 127.02 1t19 s LEU 33 Ca -0.05 -0.55 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1t19 s LEU 33 Cb -0.15 -1.52 0.22 0.00 0.03 0.00 0.00 46.19 44.76 1t19 s LEU 33 CO 0.03 0.19 1.30 -0.90 0.23 0.00 0.00 176.35 177.20 1t19 n ASP 34 N 0.92 0.27 0.00 2.29 5.68 -0.48 -0.78 116.55 124.45 1t19 n ASP 34 Ca -0.16 -1.58 0.11 0.00 -0.50 0.00 0.00 54.79 52.66 1t19 n ASP 34 Cb 0.53 -0.98 0.52 0.00 -1.14 0.00 0.00 41.12 40.05 1t19 n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t19 n GLY 35 N -3.63 -1.12 0.55 6.12 0.00 -1.19 -1.24 105.19 104.67 1t19 n GLY 35 Ca 0.17 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1t19 n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1t19 n ASP 36 N -1.38 1.86 0.00 1.61 8.00 -1.26 -4.96 116.55 120.42 1t19 n ASP 36 Ca 0.08 -1.48 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1t19 n ASP 36 Cb 0.21 0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1t19 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1t19 n GLY 37 N 1.30 0.73 3.76 0.44 0.00 -0.38 -4.91 105.19 106.13 1t19 n GLY 37 Ca 0.14 -0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1t19 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1t19 s ASN 38 N -2.02 7.46 -0.20 1.61 0.01 -1.26 -0.77 114.94 119.78 1t19 s ASN 38 Ca 0.00 2.03 -0.27 0.00 -0.71 0.00 0.00 52.86 53.91 1t19 s ASN 38 Cb 0.00 -2.61 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 1t19 s ASN 38 CO 0.00 0.02 0.92 -0.63 -1.51 0.00 0.00 177.10 175.90 1t19 s ILE 39 N -1.26 4.79 -0.21 0.60 1.01 -0.26 -1.38 121.20 124.50 1t19 s ILE 39 Ca 0.44 1.80 0.08 0.00 0.00 0.00 0.00 60.65 62.97 1t19 s ILE 39 Cb -0.26 -4.21 -0.21 0.00 0.01 0.00 0.00 42.46 37.78 1t19 s ILE 39 CO 0.33 -0.06 -0.01 0.18 0.00 0.00 0.00 174.94 175.38 1t19 n LEU 40 N 5.72 1.70 -3.89 2.97 4.77 0.54 -0.52 117.00 128.29 1t19 n LEU 40 Ca 0.08 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 1t19 n LEU 40 Cb 0.48 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1t19 n LEU 40 CO 0.50 0.73 -0.20 -1.10 -1.33 0.00 0.00 177.39 175.99 1t19 s GLN 41 N -2.52 0.45 -0.28 3.23 -1.52 -1.14 -4.91 119.66 112.98 1t19 s GLN 41 Ca -0.23 -0.42 -0.05 0.00 -1.95 0.00 0.00 55.36 52.72 1t19 s GLN 41 Cb 0.08 0.18 0.15 0.00 -0.22 0.00 0.00 33.01 33.20 1t19 s GLN 41 CO 0.72 -0.10 0.55 -0.47 -0.25 0.00 0.00 175.29 175.74 1t19 s TYR 42 N -1.35 -1.29 0.66 0.91 6.14 -1.26 -1.36 117.35 119.79 1t19 s TYR 42 Ca -0.14 1.73 -0.00 0.00 0.64 0.00 0.00 57.07 59.29 1t19 s TYR 42 Cb -0.08 0.51 0.09 0.00 0.42 0.00 0.00 41.96 42.90 1t19 s TYR 42 CO 0.01 -0.74 0.91 0.54 0.64 0.00 0.00 175.55 176.92 1t19 s ASN 43 N 2.79 4.73 0.17 4.32 4.22 -0.62 -4.78 114.94 125.77 1t19 s ASN 43 Ca 0.09 -0.17 -0.10 0.00 -2.14 0.00 0.00 52.86 50.54 1t19 s ASN 43 Cb -0.14 -0.42 0.05 0.00 1.28 0.00 0.00 41.25 42.02 1t19 s ASN 43 CO -0.18 -1.57 1.61 0.00 -2.04 0.00 0.00 177.10 174.92 1t19 h ALA 44 N -0.31 0.78 -0.55 3.54 0.00 -1.84 -2.33 119.26 118.56 1t19 h ALA 44 Ca -0.39 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 1t19 h ALA 44 Cb 1.28 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1t19 h ALA 44 CO 0.46 0.66 0.17 0.00 0.00 0.00 0.00 179.25 180.54 1t19 h ALA 45 N 0.96 1.27 -0.46 0.00 0.00 -1.83 -1.30 119.26 117.90 1t19 h ALA 45 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1t19 h ALA 45 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1t19 h ALA 45 CO 0.04 0.52 0.22 0.37 0.00 0.00 0.00 179.25 180.40 1t19 h GLN 46 N 0.80 0.66 -0.05 0.00 5.75 -1.72 -2.13 115.11 118.42 1t19 h GLN 46 Ca 0.18 -0.10 -0.03 0.00 -0.15 0.00 0.00 58.65 58.56 1t19 h GLN 46 Cb 0.23 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.66 1t19 h GLN 46 CO -0.01 0.56 -0.10 0.78 -2.65 0.00 0.00 178.83 177.42 1t19 h GLY 47 N 0.59 0.08 1.22 2.39 0.00 -0.88 -0.91 103.07 105.56 1t19 h GLY 47 Ca 0.16 -0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 1t19 h GLY 47 CO -0.02 0.04 0.04 -0.55 0.00 0.00 0.00 176.54 176.04 1t19 h ASP 48 N 0.07 0.91 -0.18 0.19 3.45 -0.84 0.58 116.42 120.60 1t19 h ASP 48 Ca 0.02 -0.23 -0.14 0.00 0.43 0.00 0.00 57.03 57.11 1t19 h ASP 48 Cb 0.22 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1t19 h ASP 48 CO 0.01 0.95 -0.44 0.40 -1.57 0.00 0.00 179.24 178.60 1t19 h ILE 49 N 0.88 1.33 0.00 0.35 2.04 -0.66 -3.38 117.51 118.07 1t19 h ILE 49 Ca 0.17 -1.68 0.00 0.00 1.00 0.00 0.00 64.86 64.35 1t19 h ILE 49 Cb 0.47 1.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1t19 h ILE 49 CO 0.02 0.52 -1.23 0.35 0.00 0.00 0.00 178.15 177.81 1t19 n THR 50 N -4.22 0.00 -0.16 -0.27 -2.24 -0.44 -4.99 114.28 101.96 1t19 n THR 50 Ca -0.06 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1t19 n THR 50 Cb 0.56 0.58 0.00 0.00 -2.10 0.00 0.00 70.33 69.37 1t19 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1t19 n GLY 51 N 1.46 2.05 3.79 3.38 0.00 0.19 -4.97 105.19 111.09 1t19 n GLY 51 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1t19 n GLY 51 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t19 s ARG 52 N -0.22 3.90 -0.32 1.61 3.00 -1.25 -5.00 118.95 120.68 1t19 s ARG 52 Ca 0.00 1.42 -0.23 0.00 0.00 0.00 0.00 55.73 56.92 1t19 s ARG 52 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 34.95 32.72 1t19 s ARG 52 CO 0.00 -0.35 0.76 0.34 0.00 0.00 0.00 175.30 176.04 1t19 s ASP 53 N -1.84 6.61 0.26 0.23 3.68 -1.26 -4.45 116.67 119.90 1t19 s ASP 53 Ca 0.64 0.56 -0.02 0.00 2.13 0.00 0.00 52.55 55.87 1t19 s ASP 53 Cb -0.18 -2.39 0.54 0.00 -1.45 0.00 0.00 42.92 39.44 1t19 s ASP 53 CO 0.22 -0.61 1.72 -0.65 0.13 0.00 0.00 175.17 175.98 1t19 h PRO 54 N 8.19 0.41 0.00 4.34 0.11 -1.89 -1.00 132.00 142.17 1t19 h PRO 54 Ca -0.25 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.78 1t19 h PRO 54 Cb 1.10 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1t19 h PRO 54 CO 0.87 0.27 -0.29 0.87 -0.21 0.00 0.00 178.00 179.52 1t19 h LYS 55 N 0.43 0.00 0.00 1.05 6.56 -1.93 -2.68 116.57 119.99 1t19 h LYS 55 Ca 0.46 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 60.05 1t19 h LYS 55 Cb 0.77 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.43 1t19 h LYS 55 CO -0.45 0.29 -0.03 1.96 -2.06 0.00 0.00 179.45 179.16 1t19 h GLN 56 N 0.00 0.00 0.00 3.15 4.20 -1.59 -3.31 115.11 117.56 1t19 h GLN 56 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1t19 h GLN 56 Cb 0.61 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.39 1t19 h GLN 56 CO 0.04 0.03 -1.57 1.33 -0.67 0.00 0.00 178.83 177.99 1t19 n VAL 57 N -3.11 0.00 -1.84 -0.54 0.24 -1.03 -4.85 118.33 107.21 1t19 n VAL 57 Ca 0.04 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.34 61.64 1t19 n VAL 57 Cb 0.53 0.43 -0.02 0.00 -1.47 0.00 0.00 33.84 33.31 1t19 n VAL 57 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1t19 s ILE 58 N -3.29 2.26 0.00 1.34 -1.09 -1.11 -1.50 121.20 117.81 1t19 s ILE 58 Ca -0.01 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.62 1t19 s ILE 58 Cb 0.15 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.90 1t19 s ILE 58 CO 0.89 0.03 0.00 0.61 -1.23 0.00 0.00 174.94 175.24 1t19 n GLY 59 N 2.58 2.72 3.88 6.18 0.00 0.33 -4.99 105.19 115.89 1t19 n GLY 59 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 1t19 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t19 s LYS 60 N -0.76 3.53 -0.17 1.61 1.02 -0.56 -4.70 119.74 119.72 1t19 s LYS 60 Ca 0.00 0.53 -0.22 0.00 0.02 0.00 0.00 55.97 56.30 1t19 s LYS 60 Cb 0.00 -2.19 -0.03 0.00 -0.52 0.00 0.00 37.83 35.10 1t19 s LYS 60 CO 0.00 -0.46 0.66 1.21 -0.92 0.00 0.00 175.35 175.83 1t19 s ASN 61 N -4.16 6.77 0.14 2.83 3.84 -1.26 -1.10 114.94 122.00 1t19 s ASN 61 Ca 0.52 0.94 -0.15 0.00 0.21 0.00 0.00 52.86 54.38 1t19 s ASN 61 Cb -0.11 -2.37 0.01 0.00 -0.55 0.00 0.00 41.25 38.24 1t19 s ASN 61 CO 0.51 -0.24 1.69 0.15 -2.79 0.00 0.00 177.10 176.42 1t19 h PHE 62 N 7.28 0.67 0.06 0.43 3.57 -1.30 -0.86 116.94 126.79 1t19 h PHE 62 Ca -0.34 -0.05 -0.24 0.00 3.53 0.00 0.00 57.97 60.88 1t19 h PHE 62 Cb 1.15 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 1t19 h PHE 62 CO 0.69 0.58 -1.08 0.74 -2.23 0.00 0.00 178.31 177.01 1t19 h PHE 63 N 0.57 0.28 0.10 0.41 0.04 -1.83 0.14 116.94 116.64 1t19 h PHE 63 Ca 0.15 -0.19 -0.28 0.00 2.80 0.00 0.00 57.97 60.44 1t19 h PHE 63 Cb 0.19 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 1t19 h PHE 63 CO 0.00 1.12 -1.46 -0.22 -0.60 0.00 0.00 178.31 177.15 1t19 h LYS 64 N 0.05 0.21 0.00 1.51 3.64 -1.88 -3.37 116.57 116.74 1t19 h LYS 64 Ca -0.07 -0.36 -0.34 0.00 -1.27 0.00 0.00 60.65 58.61 1t19 h LYS 64 Cb 1.81 0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 33.71 1t19 h LYS 64 CO 0.16 1.17 -2.12 -0.25 -2.27 0.00 0.00 179.45 176.15 1t19 n ASP 65 N -3.93 1.43 -0.01 4.20 8.00 -0.36 -4.74 116.55 121.14 1t19 n ASP 65 Ca -0.27 0.24 -0.22 0.00 0.71 0.00 0.00 54.79 55.25 1t19 n ASP 65 Cb 0.89 -0.58 -0.14 0.00 -0.02 0.00 0.00 41.12 41.27 1t19 n ASP 65 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1t19 h VAL 66 N -0.70 0.90 -2.11 2.53 2.07 -1.44 -3.43 116.25 114.08 1t19 h VAL 66 Ca -0.51 -2.35 -0.54 0.00 0.82 0.00 0.00 66.70 64.12 1t19 h VAL 66 Cb 1.45 2.59 -0.41 0.00 -1.52 0.00 0.00 31.29 33.40 1t19 h VAL 66 CO -0.30 0.70 -0.95 0.00 0.02 0.00 0.00 177.57 177.03 1t19 n ALA 67 N -3.04 3.09 0.30 1.67 0.00 0.47 -4.94 120.51 118.06 1t19 n ALA 67 Ca -0.28 -3.94 0.17 0.00 0.00 0.00 0.00 53.44 49.39 1t19 n ALA 67 Cb 0.91 -0.85 0.93 0.00 0.00 0.00 0.00 19.45 20.45 1t19 n ALA 67 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1t19 h PRO 68 N 3.29 0.00 0.00 0.00 0.13 -1.77 -0.55 132.00 133.10 1t19 h PRO 68 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1t19 h PRO 68 Cb 0.78 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1t19 h PRO 68 CO 0.62 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.43 1t19 n THR 70 N -2.69 0.00 -2.64 0.00 -2.24 -0.22 -4.69 114.28 101.80 1t19 n THR 70 Ca -0.01 -0.14 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1t19 n THR 70 Cb 0.14 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.81 1t19 n THR 70 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1t19 s ASP 71 N -2.49 6.68 0.07 3.42 -1.08 -0.45 -1.35 116.67 121.46 1t19 s ASP 71 Ca 0.24 -2.00 -0.26 0.00 -0.52 0.00 0.00 52.55 50.02 1t19 s ASP 71 Cb 0.19 -2.54 0.07 0.00 -1.46 0.00 0.00 42.92 39.18 1t19 s ASP 71 CO 0.52 -1.27 0.61 -0.55 0.52 0.00 0.00 175.17 175.00 1t19 s SER 72 N 4.38 -0.57 0.57 -0.34 0.15 -1.26 -4.97 113.70 111.66 1t19 s SER 72 Ca 0.47 0.28 0.26 0.00 0.70 0.00 0.00 55.95 57.66 1t19 s SER 72 Cb 0.01 0.56 1.65 0.00 -1.71 0.00 0.00 66.02 66.52 1t19 s SER 72 CO -0.03 -0.80 2.20 -0.65 1.20 0.00 0.00 173.24 175.17 1t19 h PRO 73 N 2.49 0.00 0.00 5.44 0.11 -1.94 -1.06 132.00 137.03 1t19 h PRO 73 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1t19 h PRO 73 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1t19 h PRO 73 CO 0.39 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.57 1t19 n GLU 74 N -4.04 0.22 0.00 1.05 4.71 -1.26 -3.27 120.64 118.06 1t19 n GLU 74 Ca -0.02 0.33 0.00 0.00 -0.01 0.00 0.00 57.16 57.46 1t19 n GLU 74 Cb 0.13 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 1t19 n GLU 74 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1t19 n PHE 75 N -2.25 0.00 -0.35 -0.32 -0.00 -1.00 -4.73 117.46 108.81 1t19 n PHE 75 Ca 0.04 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.57 1t19 n PHE 75 Cb 0.32 0.11 0.25 0.00 -0.00 0.00 0.00 39.48 40.15 1t19 n PHE 75 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1t19 h TYR 76 N 0.00 1.06 -0.71 -5.13 3.20 -0.63 -1.63 116.97 113.13 1t19 h TYR 76 Ca 0.00 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.89 1t19 h TYR 76 Cb 0.00 -0.33 -0.03 0.00 1.54 0.00 0.00 36.73 37.91 1t19 h TYR 76 CO 0.00 0.36 0.40 0.78 -1.64 0.00 0.00 178.16 178.06 1t19 h GLY 77 N 0.88 1.03 0.95 1.82 0.00 -1.20 0.53 103.07 107.08 1t19 h GLY 77 Ca 0.51 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 47.34 1t19 h GLY 77 CO -0.30 0.42 0.02 0.50 0.00 0.00 0.00 176.54 177.18 1t19 h LYS 78 N 0.98 0.70 -0.02 4.80 1.57 -1.32 -2.11 116.57 121.17 1t19 h LYS 78 Ca 0.25 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1t19 h LYS 78 Cb -0.01 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 1t19 h LYS 78 CO -0.04 0.77 0.01 0.35 -0.57 0.00 0.00 179.45 179.97 1t19 h PHE 79 N 0.54 0.02 -0.09 -1.35 3.57 -0.71 -1.92 116.94 117.00 1t19 h PHE 79 Ca 0.12 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.54 1t19 h PHE 79 Cb 0.44 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 1t19 h PHE 79 CO 0.03 0.01 -0.32 1.57 -2.23 0.00 0.00 178.31 177.38 1t19 h LYS 80 N 0.03 0.17 -0.51 1.11 2.10 -0.81 -0.06 116.57 118.60 1t19 h LYS 80 Ca 0.01 -0.06 -0.13 0.00 -2.00 0.00 0.00 60.65 58.47 1t19 h LYS 80 Cb -0.00 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.30 1t19 h LYS 80 CO -0.00 0.48 -0.17 1.49 -2.00 0.00 0.00 179.45 179.24 1t19 h GLU 81 N 0.15 1.01 -0.55 0.07 4.22 -1.25 -1.47 114.58 116.77 1t19 h GLU 81 Ca 0.02 -0.41 -0.02 0.00 0.08 0.00 0.00 59.36 59.03 1t19 h GLU 81 Cb 0.64 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 1t19 h GLU 81 CO 0.05 1.09 0.26 0.78 -2.18 0.00 0.00 179.01 179.01 1t19 h GLY 82 N 0.87 0.86 1.04 1.92 0.00 -0.52 -1.45 103.07 105.79 1t19 h GLY 82 Ca 0.12 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1t19 h GLY 82 CO 0.06 0.41 0.35 -2.08 0.00 0.00 0.00 176.54 175.29 1t19 h VAL 83 N 0.74 1.26 -0.65 4.60 2.07 -0.90 0.80 116.25 124.17 1t19 h VAL 83 Ca 0.19 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.86 1t19 h VAL 83 Cb 0.13 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1t19 h VAL 83 CO -0.02 0.32 0.11 0.00 0.02 0.00 0.00 177.57 178.00 1t19 h ALA 84 N 1.19 0.86 0.00 1.67 0.00 -0.99 -3.04 119.26 118.95 1t19 h ALA 84 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1t19 h ALA 84 Cb 0.17 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1t19 h ALA 84 CO -0.03 0.61 -0.27 0.77 0.00 0.00 0.00 179.25 180.33 1t19 h SER 85 N 0.98 0.00 -0.01 0.00 0.02 -1.12 -3.48 113.55 109.94 1t19 h SER 85 Ca 0.20 -0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 1t19 h SER 85 Cb 0.43 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1t19 h SER 85 CO 0.01 0.00 -0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1t19 n GLY 86 N 1.13 0.44 3.23 -3.77 0.00 0.24 -5.02 105.19 101.44 1t19 n GLY 86 Ca 0.03 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 1t19 n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t19 s ASN 87 N -2.62 -0.35 -0.26 1.61 2.20 -0.99 -5.03 114.94 109.50 1t19 s ASN 87 Ca 0.00 0.67 -0.13 0.00 -0.94 0.00 0.00 52.86 52.46 1t19 s ASN 87 Cb 0.00 0.68 0.09 0.00 -2.00 0.00 0.00 41.25 40.02 1t19 s ASN 87 CO 0.00 -0.13 0.61 -0.22 -2.94 0.00 0.00 177.10 174.42 1t19 s LEU 88 N 0.14 -0.80 -0.32 3.54 2.96 -1.26 -4.34 118.68 118.59 1t19 s LEU 88 Ca -0.00 1.37 0.06 0.00 -0.22 0.00 0.00 54.13 55.34 1t19 s LEU 88 Cb -0.02 2.10 0.19 0.00 0.50 0.00 0.00 46.19 48.96 1t19 s LEU 88 CO 0.01 -0.23 0.61 0.21 -1.32 0.00 0.00 176.35 175.63 1t19 s ASN 89 N 1.89 -1.58 -0.04 3.68 2.47 -1.24 -1.80 114.94 118.33 1t19 s ASN 89 Ca -0.09 -0.06 -0.10 0.00 0.42 0.00 0.00 52.86 53.04 1t19 s ASN 89 Cb -0.07 1.99 0.02 0.00 -1.45 0.00 0.00 41.25 41.73 1t19 s ASN 89 CO -0.18 -0.26 0.23 0.28 -3.72 0.00 0.00 177.10 173.45 1t19 s THR 90 N 2.58 0.04 -0.03 -5.21 -1.32 -0.53 -5.01 115.64 106.17 1t19 s THR 90 Ca 0.12 -0.37 0.03 0.00 -1.21 0.00 0.00 61.69 60.26 1t19 s THR 90 Cb -0.08 -0.45 0.00 0.00 -1.51 0.00 0.00 72.50 70.46 1t19 s THR 90 CO -0.21 -0.20 -0.10 -0.32 -2.21 0.00 0.00 174.62 171.57 1t19 s MET 91 N -0.79 1.09 0.18 7.08 1.75 -1.26 -0.76 119.30 126.59 1t19 s MET 91 Ca -0.09 -0.36 -0.23 0.00 -1.25 0.00 0.00 55.69 53.77 1t19 s MET 91 Cb -0.05 -1.00 0.06 0.00 2.84 0.00 0.00 34.83 36.68 1t19 s MET 91 CO 0.02 0.14 0.63 -0.59 -0.65 0.00 0.00 175.02 174.56 1t19 s PHE 92 N 0.16 -0.46 0.22 4.11 -0.71 -0.32 -4.99 117.98 115.98 1t19 s PHE 92 Ca -0.03 0.20 -0.10 0.00 -1.04 0.00 0.00 56.93 55.96 1t19 s PHE 92 Cb -0.09 0.59 -0.07 0.00 -1.21 0.00 0.00 43.02 42.24 1t19 s PHE 92 CO 0.01 -0.93 0.55 -1.21 -1.34 0.00 0.00 175.22 172.30 1t19 s GLU 93 N -3.78 3.82 0.16 1.99 2.02 -1.26 -0.38 118.70 121.27 1t19 s GLU 93 Ca 0.03 0.30 -0.16 0.00 0.02 0.00 0.00 54.97 55.16 1t19 s GLU 93 Cb -0.02 -2.68 0.03 0.00 0.10 0.00 0.00 34.13 31.56 1t19 s GLU 93 CO -0.09 0.34 0.44 -0.47 0.02 0.00 0.00 175.26 175.50 1t19 s TYR 94 N -1.77 -0.12 -0.15 1.61 5.04 -0.36 -4.93 117.35 116.67 1t19 s TYR 94 Ca 0.46 -0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.89 1t19 s TYR 94 Cb -0.12 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.48 1t19 s TYR 94 CO 0.21 -0.79 -0.18 0.99 -1.34 0.00 0.00 175.55 174.44 1t19 s THR 95 N -3.85 2.47 -0.20 4.34 2.01 -1.26 -0.96 115.64 118.19 1t19 s THR 95 Ca 0.07 -0.84 -0.15 0.00 0.31 0.00 0.00 61.69 61.08 1t19 s THR 95 Cb 0.01 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.46 1t19 s THR 95 CO -0.07 0.53 0.35 -0.36 -0.69 0.00 0.00 174.62 174.38 1t19 s PHE 96 N 0.75 3.38 0.00 4.92 0.08 -0.23 -4.91 117.98 121.98 1t19 s PHE 96 Ca -0.07 0.56 0.00 0.00 0.12 0.00 0.00 56.93 57.54 1t19 s PHE 96 Cb -0.16 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1t19 s PHE 96 CO 0.00 0.03 0.76 -0.40 -0.10 0.00 0.00 175.22 175.52 1t19 n ASP 97 N 4.34 0.00 -4.58 1.36 5.68 -1.26 -1.25 116.55 120.84 1t19 n ASP 97 Ca -0.10 -1.58 -0.40 0.00 -0.50 0.00 0.00 54.79 52.21 1t19 n ASP 97 Cb 0.51 -0.12 -0.08 0.00 -1.14 0.00 0.00 41.12 40.30 1t19 n ASP 97 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 1t19 s TYR 98 N 0.00 3.21 -1.51 2.11 5.04 -1.26 -4.21 117.35 120.74 1t19 s TYR 98 Ca 0.00 0.32 -0.04 0.00 -2.44 0.00 0.00 57.07 54.91 1t19 s TYR 98 Cb 0.00 -2.79 0.02 0.00 0.35 0.00 0.00 41.96 39.54 1t19 s TYR 98 CO 0.00 -0.41 0.40 1.04 -1.34 0.00 0.00 175.55 175.24 1t19 n GLN 99 N 5.59 -3.72 -3.55 4.97 6.02 -1.26 -4.94 117.38 120.48 1t19 n GLN 99 Ca -0.06 0.83 -0.11 0.00 -0.01 0.00 0.00 57.00 57.65 1t19 n GLN 99 Cb 0.49 -5.60 -0.03 0.00 1.02 0.00 0.00 30.24 26.13 1t19 n GLN 99 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1t19 s MET 100 N -5.55 1.33 0.23 -1.09 0.23 -1.26 -5.11 119.30 108.08 1t19 s MET 100 Ca 0.23 -0.63 -0.31 0.00 -1.03 0.00 0.00 55.69 53.95 1t19 s MET 100 Cb -0.11 0.57 -0.11 0.00 -1.53 0.00 0.00 34.83 33.65 1t19 s MET 100 CO 0.28 -0.58 1.62 0.99 -2.03 0.00 0.00 175.02 175.30 1t19 s THR 101 N -3.80 2.22 0.13 3.16 2.01 -1.26 -4.75 115.64 113.35 1t19 s THR 101 Ca 0.04 0.17 -0.34 0.00 0.31 0.00 0.00 61.69 61.87 1t19 s THR 101 Cb -0.01 -3.11 -0.13 0.00 0.01 0.00 0.00 72.50 69.26 1t19 s THR 101 CO -0.09 0.02 1.65 -2.65 -0.69 0.00 0.00 174.62 172.87 1t19 n PRO 102 N 3.17 2.27 -3.95 4.92 -0.02 -1.26 -4.76 135.00 135.37 1t19 n PRO 102 Ca 0.12 0.82 -0.24 0.00 -2.02 0.00 0.00 63.50 62.18 1t19 n PRO 102 Cb 0.37 -2.62 -0.17 0.00 -0.02 0.00 0.00 33.50 31.06 1t19 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t19 s THR 103 N 1.50 0.73 0.00 3.45 2.01 -0.38 -4.97 115.64 117.97 1t19 s THR 103 Ca 0.80 -0.13 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 1t19 s THR 103 Cb -0.65 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 1t19 s THR 103 CO 0.39 0.31 0.67 -0.75 -0.69 0.00 0.00 174.62 174.55 1t19 s LYS 104 N 1.60 4.40 0.13 4.92 2.20 -1.26 -1.06 119.74 130.67 1t19 s LYS 104 Ca 0.01 0.88 0.02 0.00 -0.36 0.00 0.00 55.97 56.51 1t19 s LYS 104 Cb -0.13 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.78 1t19 s LYS 104 CO -0.05 0.28 -0.03 0.14 -0.36 0.00 0.00 175.35 175.33 1t19 s VAL 105 N 0.03 0.66 -0.19 4.02 -7.23 -0.14 -3.05 120.40 114.51 1t19 s VAL 105 Ca 0.35 -1.95 -0.09 0.00 -1.81 0.00 0.00 61.98 58.48 1t19 s VAL 105 Cb -0.19 -1.88 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1t19 s VAL 105 CO 0.19 -0.69 0.11 -0.75 -0.31 0.00 0.00 175.10 173.65 1t19 s LYS 106 N -3.88 4.05 -0.07 4.82 2.20 0.18 -1.22 119.74 125.82 1t19 s LYS 106 Ca 0.17 -0.25 0.04 0.00 -0.36 0.00 0.00 55.97 55.57 1t19 s LYS 106 Cb 0.06 -3.33 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 1t19 s LYS 106 CO -0.01 0.34 -0.18 0.08 -0.36 0.00 0.00 175.35 175.21 1t19 s VAL 107 N 0.23 2.65 -0.17 4.02 1.01 0.48 -1.61 120.40 127.01 1t19 s VAL 107 Ca 0.07 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.21 1t19 s VAL 107 Cb -0.11 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.26 1t19 s VAL 107 CO -0.01 0.57 -0.13 -2.28 0.00 0.00 0.00 175.10 173.25 1t19 s HIS 108 N -0.23 2.33 -0.14 5.22 2.46 0.10 -1.18 115.29 123.86 1t19 s HIS 108 Ca -0.00 -1.42 -0.04 0.00 0.47 0.00 0.00 55.06 54.07 1t19 s HIS 108 Cb -0.13 -1.65 -0.03 0.00 -0.13 0.00 0.00 32.58 30.64 1t19 s HIS 108 CO 0.03 -0.71 -0.01 -1.64 -2.47 0.00 0.00 174.74 169.94 1t19 s MET 109 N 1.43 3.50 -0.11 2.88 -1.94 0.06 -0.41 119.30 124.71 1t19 s MET 109 Ca 0.02 -0.45 -0.11 0.00 -1.71 0.00 0.00 55.69 53.44 1t19 s MET 109 Cb -0.14 -2.93 0.03 0.00 2.01 0.00 0.00 34.83 33.80 1t19 s MET 109 CO -0.10 0.40 0.30 0.21 -0.01 0.00 0.00 175.02 175.82 1t19 s LYS 110 N -0.04 0.37 0.35 2.03 2.20 -0.48 -1.45 119.74 122.72 1t19 s LYS 110 Ca 0.03 0.38 -0.29 0.00 -0.36 0.00 0.00 55.97 55.74 1t19 s LYS 110 Cb -0.13 0.18 -0.11 0.00 -1.51 0.00 0.00 37.83 36.26 1t19 s LYS 110 CO 0.02 -0.05 1.38 0.21 -0.36 0.00 0.00 175.35 176.55 1t19 s LYS 111 N 0.08 4.26 0.82 4.03 2.20 -0.75 -0.46 119.74 129.92 1t19 s LYS 111 Ca -0.01 2.36 -0.12 0.00 -0.36 0.00 0.00 55.97 57.84 1t19 s LYS 111 Cb -0.02 -3.03 0.09 0.00 -1.51 0.00 0.00 37.83 33.35 1t19 s LYS 111 CO 0.01 -0.33 1.13 0.00 -0.36 0.00 0.00 175.35 175.80 1t19 s ALA 112 N -1.09 2.28 0.14 3.13 0.00 -0.20 -4.81 121.76 121.22 1t19 s ALA 112 Ca 0.51 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 1t19 s ALA 112 Cb -0.42 -3.04 -0.05 0.00 0.00 0.00 0.00 23.12 19.61 1t19 s ALA 112 CO 0.56 -1.81 1.36 1.25 0.00 0.00 0.00 175.76 177.12 1t19 h LEU 113 N -1.15 0.66 -9.83 0.00 7.12 -1.87 -3.45 115.31 106.80 1t19 h LEU 113 Ca -0.48 -0.46 -0.48 0.00 0.13 0.00 0.00 57.88 56.59 1t19 h LEU 113 Cb 1.30 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 41.21 1t19 h LEU 113 CO 0.62 1.23 0.32 -0.44 -0.13 0.00 0.00 178.44 180.04 1t19 s SER 114 N -7.06 7.43 0.00 1.25 0.01 -1.26 -4.99 113.70 109.08 1t19 s SER 114 Ca -0.07 1.83 0.00 0.00 1.31 0.00 0.00 55.95 59.02 1t19 s SER 114 Cb 0.09 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1t19 s SER 114 CO 0.87 0.04 0.00 0.61 0.41 0.00 0.00 173.24 175.17 1t19 n GLY 115 N 0.96 0.00 2.88 3.44 0.00 -1.26 -3.59 105.19 107.62 1t19 n GLY 115 Ca -0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.74 1t19 n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t19 n ASP 116 N 0.00 4.58 -4.11 1.61 2.03 -1.26 -4.92 116.55 114.47 1t19 n ASP 116 Ca 0.00 -3.69 -0.13 0.00 0.52 0.00 0.00 54.79 51.48 1t19 n ASP 116 Cb 0.00 -0.56 -0.11 0.00 -0.72 0.00 0.00 41.12 39.73 1t19 n ASP 116 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1t19 s SER 117 N -3.45 1.09 -0.01 1.67 1.04 -1.24 -3.20 113.70 109.61 1t19 s SER 117 Ca 0.49 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 56.23 1t19 s SER 117 Cb 0.29 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.46 1t19 s SER 117 CO -0.15 -0.26 -0.02 -0.31 0.98 0.00 0.00 173.24 173.49 1t19 s TYR 118 N -2.03 0.27 0.01 5.02 1.51 0.04 -1.03 117.35 121.13 1t19 s TYR 118 Ca -0.02 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 55.93 1t19 s TYR 118 Cb -0.06 -0.25 -0.05 0.00 -0.11 0.00 0.00 41.96 41.50 1t19 s TYR 118 CO -0.01 -0.05 0.29 -1.58 -1.11 0.00 0.00 175.55 173.09 1t19 s TRP 119 N 0.31 3.59 -0.18 2.71 0.52 0.39 -0.43 118.94 125.85 1t19 s TRP 119 Ca -0.03 0.63 0.01 0.00 0.02 0.00 0.00 56.10 56.73 1t19 s TRP 119 Cb -0.05 -2.03 0.03 0.00 -1.15 0.00 0.00 33.47 30.26 1t19 s TRP 119 CO -0.01 0.61 -0.17 0.08 0.02 0.00 0.00 176.95 177.49 1t19 s VAL 120 N -1.27 1.89 -0.05 4.03 1.01 0.07 -1.38 120.40 124.70 1t19 s VAL 120 Ca 0.27 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.37 1t19 s VAL 120 Cb -0.13 -1.77 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 1t19 s VAL 120 CO 0.15 0.44 -0.12 -0.36 0.00 0.00 0.00 175.10 175.21 1t19 s PHE 121 N 1.34 2.77 -0.01 5.22 0.08 0.45 -0.86 117.98 126.97 1t19 s PHE 121 Ca 0.03 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1t19 s PHE 121 Cb -0.14 -1.64 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 1t19 s PHE 121 CO -0.11 0.24 -0.02 0.08 -0.10 0.00 0.00 175.22 175.30 1t19 s VAL 122 N -0.78 0.22 0.04 -0.44 1.01 -0.36 -0.73 120.40 119.36 1t19 s VAL 122 Ca 0.12 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 1t19 s VAL 122 Cb -0.11 -0.21 -0.03 0.00 0.00 0.00 0.00 36.38 36.04 1t19 s VAL 122 CO 0.01 0.08 0.01 -1.59 0.00 0.00 0.00 175.10 173.61 1t19 s LYS 123 N 0.14 0.54 0.56 2.72 -2.85 -0.64 -0.71 119.74 119.51 1t19 s LYS 123 Ca -0.01 -0.96 -0.18 0.00 -1.00 0.00 0.00 55.97 53.82 1t19 s LYS 123 Cb -0.03 0.20 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 1t19 s LYS 123 CO -0.00 -0.11 1.10 1.03 0.10 0.00 0.00 175.35 177.46 1t19 s ARG 124 N -3.03 3.33 0.00 1.78 0.52 -1.26 -0.64 118.95 119.64 1t19 s ARG 124 Ca -0.01 1.46 0.00 0.00 -0.52 0.00 0.00 55.73 56.66 1t19 s ARG 124 Cb 0.01 -2.02 0.00 0.00 0.52 0.00 0.00 34.95 33.47 1t19 s ARG 124 CO -0.07 -0.84 0.25 1.33 0.02 0.00 0.00 175.30 176.00