#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rry n GLN 2 N 0.00 1.66 -2.76 2.12 6.02 -1.26 -5.02 117.38 118.14 1rry n GLN 2 Ca 0.00 -2.67 -0.34 0.00 -0.01 0.00 0.00 57.00 53.98 1rry n GLN 2 Cb 0.00 -1.59 -0.06 0.00 1.02 0.00 0.00 30.24 29.61 1rry n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rry s ASP 3 N -2.68 6.89 0.05 1.08 1.01 -1.26 -5.06 116.67 116.71 1rry s ASP 3 Ca 0.35 1.76 -0.18 0.00 0.71 0.00 0.00 52.55 55.19 1rry s ASP 3 Cb 0.30 -2.55 0.04 0.00 1.01 0.00 0.00 42.92 41.72 1rry s ASP 3 CO 0.04 -0.40 0.42 0.42 0.21 0.00 0.00 175.17 175.86 1rry s THR 4 N -2.06 0.06 -0.02 -1.27 -4.23 -1.26 -3.18 115.64 103.68 1rry s THR 4 Ca 0.61 -0.46 0.07 0.00 -1.18 0.00 0.00 61.69 60.73 1rry s THR 4 Cb -0.12 -0.98 -0.02 0.00 1.34 0.00 0.00 72.50 72.72 1rry s THR 4 CO 0.16 -0.25 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.12 1rry s ILE 5 N -2.64 2.28 0.04 2.99 1.01 -0.97 -4.95 121.20 118.95 1rry s ILE 5 Ca -0.04 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 59.55 1rry s ILE 5 Cb -0.00 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.62 1rry s ILE 5 CO -0.04 0.56 -0.02 0.72 0.00 0.00 0.00 174.94 176.17 1rry s PHE 6 N -0.65 0.38 -0.17 3.97 -0.12 -1.26 -1.53 117.98 118.59 1rry s PHE 6 Ca 0.11 -0.79 -0.02 0.00 -0.05 0.00 0.00 56.93 56.17 1rry s PHE 6 Cb -0.10 -0.28 0.05 0.00 -0.63 0.00 0.00 43.02 42.06 1rry s PHE 6 CO -0.00 -0.30 0.02 -0.51 -0.05 0.00 0.00 175.22 174.37 1rry s LEU 7 N -2.24 1.19 -0.00 -1.99 1.02 -0.36 -5.02 118.68 111.28 1rry s LEU 7 Ca -0.04 -0.69 0.06 0.00 0.02 0.00 0.00 54.13 53.48 1rry s LEU 7 Cb -0.00 -0.63 -0.03 0.00 0.02 0.00 0.00 46.19 45.55 1rry s LEU 7 CO -0.06 -0.27 -0.17 -0.54 0.02 0.00 0.00 176.35 175.33 1rry s LYS 8 N 1.83 2.26 -1.23 1.70 1.02 -1.26 -1.05 119.74 123.02 1rry s LYS 8 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1rry s LYS 8 Cb -0.16 -2.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 1rry s LYS 8 CO -0.07 0.58 0.00 0.41 -0.92 0.00 0.00 175.35 175.34 1rry n GLY 9 N 1.98 0.17 3.74 -3.33 0.00 -1.22 -4.97 105.19 101.57 1rry n GLY 9 Ca -0.16 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1rry n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rry s MET 10 N -4.34 4.32 -0.04 1.61 -1.94 -0.62 -4.76 119.30 113.53 1rry s MET 10 Ca 0.00 2.20 0.03 0.00 -1.71 0.00 0.00 55.69 56.21 1rry s MET 10 Cb 0.00 -3.14 0.00 0.00 2.01 0.00 0.00 34.83 33.71 1rry s MET 10 CO 0.00 -0.33 -0.13 1.03 -0.01 0.00 0.00 175.02 175.58 1rry s ARG 11 N -0.43 1.46 0.06 2.03 0.52 -1.26 0.12 118.95 121.45 1rry s ARG 11 Ca 0.57 -0.44 0.03 0.00 -0.52 0.00 0.00 55.73 55.37 1rry s ARG 11 Cb -0.40 -1.27 -0.03 0.00 0.52 0.00 0.00 34.95 33.77 1rry s ARG 11 CO 0.42 0.13 -0.09 -0.06 0.02 0.00 0.00 175.30 175.72 1rry s PHE 12 N 0.30 0.80 -0.32 -0.53 0.08 0.25 -4.95 117.98 113.62 1rry s PHE 12 Ca -0.07 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.34 1rry s PHE 12 Cb -0.12 -0.47 0.01 0.00 -0.57 0.00 0.00 43.02 41.88 1rry s PHE 12 CO 0.02 -0.07 0.12 -0.47 -0.10 0.00 0.00 175.22 174.72 1rry s TYR 13 N -1.74 3.18 0.26 0.36 6.14 -1.26 0.11 117.35 124.41 1rry s TYR 13 Ca -0.05 -0.94 0.02 0.00 0.64 0.00 0.00 57.07 56.74 1rry s TYR 13 Cb -0.07 -2.31 -0.01 0.00 0.42 0.00 0.00 41.96 39.99 1rry s TYR 13 CO -0.00 -0.58 0.09 0.41 0.64 0.00 0.00 175.55 176.10 1rry n GLY 14 N 4.90 3.58 0.38 8.97 0.00 -0.66 -4.85 105.19 117.51 1rry n GLY 14 Ca -0.14 -2.06 0.07 0.00 0.00 0.00 0.00 46.02 43.89 1rry n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rry n TYR 15 N -0.60 0.00 -2.02 1.61 4.02 -1.26 -1.50 117.16 117.41 1rry n TYR 15 Ca -0.04 -1.00 -0.33 0.00 -0.01 0.00 0.00 57.90 56.52 1rry n TYR 15 Cb 0.39 -0.17 0.02 0.00 -0.02 0.00 0.00 39.34 39.56 1rry n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rry s HIS 16 N -2.45 2.87 0.00 -0.72 3.76 -1.26 -3.46 115.29 114.04 1rry s HIS 16 Ca 0.30 1.53 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 1rry s HIS 16 Cb 0.28 -3.07 0.00 0.00 1.11 0.00 0.00 32.58 30.90 1rry s HIS 16 CO -0.02 -1.28 0.00 0.41 -0.85 0.00 0.00 174.74 173.01 1rry n GLY 17 N -0.74 4.29 0.00 -2.22 0.00 -0.97 -4.50 105.19 101.05 1rry n GLY 17 Ca 0.09 -0.52 0.09 0.00 0.00 0.00 0.00 46.02 45.68 1rry n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rry n ALA 18 N -1.35 1.94 -2.72 4.61 0.00 -1.18 -4.59 120.51 117.21 1rry n ALA 18 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 1rry n ALA 18 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 19.45 18.06 1rry n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1rry s LEU 19 N -2.64 3.47 0.22 0.00 2.96 -1.26 -5.01 118.68 116.41 1rry s LEU 19 Ca 0.15 0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1rry s LEU 19 Cb 0.12 -1.80 0.29 0.00 0.50 0.00 0.00 46.19 45.30 1rry s LEU 19 CO 0.28 0.33 1.80 0.28 -1.32 0.00 0.00 176.35 177.72 1rry h SER 20 N 5.52 0.56 0.33 3.68 0.02 -2.01 -1.49 113.55 120.17 1rry h SER 20 Ca -0.46 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 60.47 1rry h SER 20 Cb 1.19 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.65 1rry h SER 20 CO 0.56 0.35 -0.27 0.00 -1.14 0.00 0.00 176.83 176.34 1rry h ALA 21 N 1.38 1.45 0.43 3.77 0.00 -1.95 -2.39 119.26 121.96 1rry h ALA 21 Ca 0.33 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1rry h ALA 21 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1rry h ALA 21 CO -0.21 0.33 -0.21 1.49 0.00 0.00 0.00 179.25 180.66 1rry h GLU 22 N 0.00 -0.56 0.00 0.00 4.81 -1.62 -1.33 114.58 115.88 1rry h GLU 22 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 1rry h GLU 22 Cb 0.50 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.01 1rry h GLU 22 CO 0.03 -0.33 0.00 -0.91 -0.73 0.00 0.00 179.01 177.08 1rry h ASN 23 N -0.66 0.00 0.08 1.04 2.35 -1.34 0.42 115.58 117.47 1rry h ASN 23 Ca -0.06 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.53 1rry h ASN 23 Cb 0.49 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.87 1rry h ASN 23 CO 0.10 0.00 -0.68 -0.08 -1.65 0.00 0.00 177.43 175.12 1rry h GLU 24 N 0.00 0.31 0.08 0.81 4.81 -0.87 -3.39 114.58 116.32 1rry h GLU 24 Ca 0.00 -0.45 -0.36 0.00 -0.13 0.00 0.00 59.36 58.42 1rry h GLU 24 Cb 0.21 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1rry h GLU 24 CO 0.00 1.17 -2.05 -0.89 -0.73 0.00 0.00 179.01 176.51 1rry n ILE 25 N -4.20 1.68 0.00 2.32 5.41 -0.56 -5.10 119.36 118.91 1rry n ILE 25 Ca -0.12 -0.68 0.00 0.00 1.00 0.00 0.00 62.75 62.95 1rry n ILE 25 Cb 0.74 -1.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.18 1rry n ILE 25 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1rry n GLY 26 N 1.95 -1.34 3.90 7.39 0.00 0.15 -5.00 105.19 112.24 1rry n GLY 26 Ca -0.32 -1.55 -0.01 0.00 0.00 0.00 0.00 46.02 44.14 1rry n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rry s GLN 27 N -1.24 0.94 -0.05 1.61 -2.07 -0.57 -5.00 119.66 113.29 1rry s GLN 27 Ca 0.00 -0.60 -0.17 0.00 -1.82 0.00 0.00 55.36 52.77 1rry s GLN 27 Cb 0.00 0.27 -0.05 0.00 -1.09 0.00 0.00 33.01 32.14 1rry s GLN 27 CO 0.00 -0.44 0.47 0.42 -1.32 0.00 0.00 175.29 174.42 1rry s ILE 28 N -2.17 5.06 -0.14 3.63 -1.09 -1.26 -1.65 121.20 123.59 1rry s ILE 28 Ca 0.24 0.97 0.00 0.00 -2.23 0.00 0.00 60.65 59.63 1rry s ILE 28 Cb -0.01 -3.80 -0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1rry s ILE 28 CO 0.03 0.44 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.68 1rry s PHE 29 N -0.19 2.79 -0.20 3.97 0.40 0.30 -4.50 117.98 120.54 1rry s PHE 29 Ca 0.26 -0.76 -0.09 0.00 -0.60 0.00 0.00 56.93 55.73 1rry s PHE 29 Cb -0.16 -1.85 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1rry s PHE 29 CO 0.13 -0.29 0.11 0.21 0.70 0.00 0.00 175.22 176.08 1rry s LYS 30 N 0.49 4.08 -0.06 0.44 2.20 -0.64 -0.58 119.74 125.67 1rry s LYS 30 Ca -0.10 -0.28 0.04 0.00 -0.36 0.00 0.00 55.97 55.28 1rry s LYS 30 Cb -0.16 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.79 1rry s LYS 30 CO 0.04 0.23 -0.19 0.08 -0.36 0.00 0.00 175.35 175.16 1rry s VAL 31 N 0.52 1.58 -0.16 4.02 1.01 0.32 -0.17 120.40 127.53 1rry s VAL 31 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.28 1rry s VAL 31 Cb -0.12 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.89 1rry s VAL 31 CO 0.00 0.45 -0.19 -1.81 0.00 0.00 0.00 175.10 173.56 1rry s ASP 32 N 0.23 3.33 -0.08 3.32 1.01 0.13 -1.59 116.67 123.01 1rry s ASP 32 Ca -0.10 -0.57 0.05 0.00 0.71 0.00 0.00 52.55 52.64 1rry s ASP 32 Cb -0.14 -1.50 -0.00 0.00 1.01 0.00 0.00 42.92 42.28 1rry s ASP 32 CO 0.04 0.05 -0.23 -0.69 0.21 0.00 0.00 175.17 174.56 1rry s VAL 33 N 0.98 1.94 -0.09 -1.27 1.01 -0.21 -1.40 120.40 121.35 1rry s VAL 33 Ca -0.03 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 60.97 1rry s VAL 33 Cb -0.15 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.60 1rry s VAL 33 CO -0.05 0.54 -0.03 -0.89 0.00 0.00 0.00 175.10 174.67 1rry s THR 34 N 0.17 0.66 -0.08 3.92 2.01 -0.78 -1.22 115.64 120.32 1rry s THR 34 Ca -0.12 -0.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.80 1rry s THR 34 Cb -0.16 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1rry s THR 34 CO 0.06 0.30 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.51 1rry s LEU 35 N 1.86 3.41 -0.49 4.42 1.43 -0.58 -1.69 118.68 127.03 1rry s LEU 35 Ca 0.05 0.07 -0.20 0.00 -1.03 0.00 0.00 54.13 53.02 1rry s LEU 35 Cb -0.12 -1.77 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1rry s LEU 35 CO -0.07 0.36 0.67 -0.75 0.23 0.00 0.00 176.35 176.80 1rry s LYS 36 N -0.80 3.20 -0.05 1.70 2.20 -0.15 -2.29 119.74 123.54 1rry s LYS 36 Ca 0.12 -0.63 -0.02 0.00 -0.36 0.00 0.00 55.97 55.08 1rry s LYS 36 Cb -0.11 -4.04 0.03 0.00 -1.51 0.00 0.00 37.83 32.20 1rry s LYS 36 CO 0.02 -1.18 0.11 0.08 -0.36 0.00 0.00 175.35 174.02 1rry s VAL 37 N 2.85 -0.05 -0.05 4.02 1.01 -1.19 0.15 120.40 127.15 1rry s VAL 37 Ca 0.19 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1rry s VAL 37 Cb -0.17 -0.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.98 1rry s VAL 37 CO 0.15 0.07 1.45 -0.62 0.00 0.00 0.00 175.10 176.16 1rry s ASP 38 N 1.09 6.81 -0.13 3.32 -1.08 -1.26 -4.15 116.67 121.27 1rry s ASP 38 Ca -0.09 2.07 0.15 0.00 -0.52 0.00 0.00 52.55 54.17 1rry s ASP 38 Cb -0.11 -2.55 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 1rry s ASP 38 CO -0.05 -0.79 1.37 0.18 0.52 0.00 0.00 175.17 176.41 1rry n LEU 39 N 6.11 3.61 0.06 -1.34 4.77 -1.26 -4.70 117.00 124.26 1rry n LEU 39 Ca 0.14 -2.73 -0.13 0.00 -0.03 0.00 0.00 56.01 53.27 1rry n LEU 39 Cb 0.44 -0.45 -0.09 0.00 -2.33 0.00 0.00 43.42 40.99 1rry n LEU 39 CO 0.59 0.69 0.65 0.77 -1.33 0.00 0.00 177.39 178.76 1rry h SER 40 N 1.86 -0.14 0.27 -1.43 4.64 -1.94 0.30 113.55 117.11 1rry h SER 40 Ca 0.00 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.06 1rry h SER 40 Cb 1.24 0.04 -0.03 0.00 -0.31 0.00 0.00 62.40 63.33 1rry h SER 40 CO 0.16 0.20 -0.40 -0.08 -0.87 0.00 0.00 176.83 175.85 1rry h GLU 41 N -0.49 -0.70 -0.03 4.77 4.81 -1.90 0.41 114.58 121.45 1rry h GLU 41 Ca -0.02 0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1rry h GLU 41 Cb 0.40 0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 1rry h GLU 41 CO 0.03 -0.47 0.02 0.00 -0.73 0.00 0.00 179.01 177.86 1rry h ALA 42 N -0.28 1.97 -0.12 2.92 0.00 -1.71 0.64 119.26 122.69 1rry h ALA 42 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1rry h ALA 42 Cb 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1rry h ALA 42 CO -0.14 0.02 -0.50 0.78 0.00 0.00 0.00 179.25 179.42 1rry h GLY 43 N 0.05 0.34 0.02 0.00 0.00 0.12 0.12 103.07 103.72 1rry h GLY 43 Ca 0.01 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1rry h GLY 43 CO -0.00 0.33 -0.66 -0.09 0.00 0.00 0.00 176.54 176.11 1rry h ARG 44 N 0.25 0.01 -0.06 4.80 2.43 0.16 -3.39 114.38 118.57 1rry h ARG 44 Ca 0.01 -0.01 -0.17 0.00 -0.81 0.00 0.00 59.98 59.00 1rry h ARG 44 Cb 0.96 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1rry h ARG 44 CO 0.08 1.01 -0.69 1.79 -1.51 0.00 0.00 179.97 180.64 1rry h THR 45 N -0.98 1.40 -0.20 0.20 1.35 0.11 -3.47 112.91 111.32 1rry h THR 45 Ca -0.18 -2.14 -0.09 0.00 -0.55 0.00 0.00 66.41 63.45 1rry h THR 45 Cb 1.17 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 69.68 1rry h THR 45 CO -0.10 0.64 -0.08 -0.67 -0.25 0.00 0.00 175.52 175.06 1rry n ASP 46 N -3.82 -3.77 -4.49 5.36 2.03 0.03 -4.99 116.55 106.89 1rry n ASP 46 Ca -0.03 0.10 -0.42 0.00 0.52 0.00 0.00 54.79 54.96 1rry n ASP 46 Cb 0.68 -1.65 -0.10 0.00 -0.72 0.00 0.00 41.12 39.34 1rry n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rry s ASN 47 N -2.65 6.11 0.13 1.67 3.84 -1.26 -4.92 114.94 117.85 1rry s ASN 47 Ca 0.00 -0.70 0.06 0.00 0.21 0.00 0.00 52.86 52.43 1rry s ASN 47 Cb 0.00 -2.16 0.33 0.00 -0.55 0.00 0.00 41.25 38.87 1rry s ASN 47 CO 0.00 -0.39 1.07 0.55 -2.79 0.00 0.00 177.10 175.54 1rry n VAL 48 N 5.17 1.16 1.01 -5.21 3.14 -1.26 0.13 118.33 122.47 1rry n VAL 48 Ca -0.11 0.60 0.14 0.00 -2.96 0.00 0.00 64.34 62.00 1rry n VAL 48 Cb 0.48 -1.60 0.56 0.00 -1.06 0.00 0.00 33.84 32.22 1rry n VAL 48 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rry n ILE 49 N -1.65 0.00 -0.53 1.55 0.13 -1.26 -3.19 119.36 114.40 1rry n ILE 49 Ca -0.00 -0.00 0.09 0.00 -1.10 0.00 0.00 62.75 61.74 1rry n ILE 49 Cb 0.18 -0.37 0.32 0.00 -0.84 0.00 0.00 39.64 38.93 1rry n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rry n ASP 50 N -1.49 4.31 -1.73 9.51 8.00 0.34 -4.97 116.55 130.52 1rry n ASP 50 Ca 0.07 -2.32 -0.06 0.00 0.71 0.00 0.00 54.79 53.19 1rry n ASP 50 Cb 0.34 -0.51 -0.02 0.00 -0.02 0.00 0.00 41.12 40.90 1rry n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rry n THR 51 N 1.08 0.00 -3.78 -3.53 5.66 -1.19 -4.13 114.28 108.39 1rry n THR 51 Ca 0.24 -0.75 -0.37 0.00 -3.05 0.00 0.00 64.05 60.11 1rry n THR 51 Cb 0.77 0.40 -0.13 0.00 -1.55 0.00 0.00 70.33 69.82 1rry n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rry s VAL 52 N -2.49 3.85 0.04 1.08 1.01 -1.26 -5.01 120.40 117.63 1rry s VAL 52 Ca 0.12 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1rry s VAL 52 Cb 0.00 -2.99 -0.08 0.00 0.00 0.00 0.00 36.38 33.31 1rry s VAL 52 CO 0.09 0.08 1.65 -2.28 0.00 0.00 0.00 175.10 174.64 1rry s HIS 53 N 1.48 2.33 0.26 5.22 2.46 -1.26 -4.93 115.29 120.84 1rry s HIS 53 Ca 0.02 0.30 -0.00 0.00 0.47 0.00 0.00 55.06 55.85 1rry s HIS 53 Cb -0.17 -3.95 0.33 0.00 -0.13 0.00 0.00 32.58 28.66 1rry s HIS 53 CO 0.02 -3.85 1.69 1.88 -2.47 0.00 0.00 174.74 172.01 1rry h TYR 54 N 8.59 0.67 -0.96 3.88 0.05 -1.98 -3.01 116.97 124.21 1rry h TYR 54 Ca -0.42 -0.14 0.15 0.00 0.05 0.00 0.00 58.73 58.36 1rry h TYR 54 Cb 1.20 -0.16 -0.09 0.00 1.01 0.00 0.00 36.73 38.68 1rry h TYR 54 CO 0.80 0.78 0.58 0.78 -1.05 0.00 0.00 178.16 180.04 1rry h GLY 55 N 1.00 1.62 0.97 3.88 0.00 -1.99 0.20 103.07 108.75 1rry h GLY 55 Ca 0.08 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.93 1rry h GLY 55 CO 0.05 0.05 -0.25 0.83 0.00 0.00 0.00 176.54 177.22 1rry h GLU 56 N 0.83 0.71 -0.83 4.80 5.08 -1.95 -2.74 114.58 120.49 1rry h GLU 56 Ca 0.51 -0.35 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1rry h GLU 56 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1rry h GLU 56 CO -0.32 0.97 0.46 0.28 -1.00 0.00 0.00 179.01 179.40 1rry h VAL 57 N 0.47 1.24 -0.16 3.13 2.07 -1.08 -1.04 116.25 120.88 1rry h VAL 57 Ca 0.06 -0.57 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1rry h VAL 57 Cb 0.81 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1rry h VAL 57 CO 0.06 0.26 -0.07 0.15 0.02 0.00 0.00 177.57 178.00 1rry h PHE 58 N 1.15 0.24 -0.36 1.57 3.57 -0.54 -1.98 116.94 120.60 1rry h PHE 58 Ca 0.29 -0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 1rry h PHE 58 Cb 0.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.66 1rry h PHE 58 CO 0.01 0.32 0.04 0.93 -2.23 0.00 0.00 178.31 177.37 1rry h GLU 59 N 0.23 0.60 -0.54 1.11 4.39 -0.90 -0.31 114.58 119.17 1rry h GLU 59 Ca 0.05 -0.17 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 1rry h GLU 59 Cb 0.28 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1rry h GLU 59 CO 0.01 0.69 0.14 0.93 -1.16 0.00 0.00 179.01 179.62 1rry h GLU 60 N 0.43 0.82 -0.10 2.33 4.39 -0.95 -0.95 114.58 120.55 1rry h GLU 60 Ca 0.11 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1rry h GLU 60 Cb 0.39 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 1rry h GLU 60 CO 0.01 0.74 -0.17 0.28 -1.16 0.00 0.00 179.01 178.71 1rry h VAL 61 N 0.80 1.39 -0.13 3.13 2.07 -1.18 -3.06 116.25 119.26 1rry h VAL 61 Ca 0.18 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.30 1rry h VAL 61 Cb 0.28 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 32.11 1rry h VAL 61 CO -0.00 0.41 -0.09 0.50 0.02 0.00 0.00 177.57 178.40 1rry h LYS 62 N -0.16 -0.10 -0.29 1.57 3.64 -0.87 0.15 116.57 120.52 1rry h LYS 62 Ca 0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1rry h LYS 62 Cb 0.74 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 1rry h LYS 62 CO 0.04 -0.07 0.20 0.66 -2.27 0.00 0.00 179.45 178.01 1rry h SER 63 N -0.10 0.11 0.14 4.20 4.64 -1.25 0.29 113.55 121.57 1rry h SER 63 Ca 0.08 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.13 1rry h SER 63 Cb 0.22 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.30 1rry h SER 63 CO -0.19 0.07 -1.34 0.40 -0.87 0.00 0.00 176.83 174.90 1rry h ILE 64 N 0.12 1.13 -0.28 0.95 2.04 -1.31 -3.08 117.51 117.07 1rry h ILE 64 Ca 0.13 -2.46 -0.06 0.00 1.00 0.00 0.00 64.86 63.47 1rry h ILE 64 Cb 0.37 2.84 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 1rry h ILE 64 CO -0.02 0.73 -0.07 0.24 0.00 0.00 0.00 178.15 179.04 1rry h MET 65 N -0.24 0.55 -0.97 2.37 2.86 -0.29 -3.01 114.93 116.18 1rry h MET 65 Ca -0.27 -0.21 -0.32 0.00 -2.06 0.00 0.00 59.70 56.84 1rry h MET 65 Cb 1.80 -0.03 -0.19 0.00 0.06 0.00 0.00 31.60 33.24 1rry h MET 65 CO 0.10 0.75 0.41 0.39 1.06 0.00 0.00 176.91 179.62 1rry n GLU 66 N -4.51 2.02 -0.26 1.72 1.02 0.99 -4.70 120.64 116.93 1rry n GLU 66 Ca -0.03 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.05 1rry n GLU 66 Cb 0.31 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1rry n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rry n GLY 67 N -0.53 3.56 3.48 0.62 0.00 -1.14 -4.95 105.19 106.22 1rry n GLY 67 Ca 0.39 -2.06 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1rry n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rry n LYS 68 N -0.13 0.68 -2.62 1.61 4.81 -1.26 -4.89 118.16 116.36 1rry n LYS 68 Ca 0.00 0.25 -0.43 0.00 -0.87 0.00 0.00 58.31 57.26 1rry n LYS 68 Cb 0.00 -1.56 -0.02 0.00 0.02 0.00 0.00 35.03 33.47 1rry n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rry s ALA 69 N -1.38 3.57 0.21 3.14 0.00 -1.26 -4.95 121.76 121.09 1rry s ALA 69 Ca 0.63 0.33 0.03 0.00 0.00 0.00 0.00 51.96 52.94 1rry s ALA 69 Cb -0.63 -3.52 0.03 0.00 0.00 0.00 0.00 23.12 19.00 1rry s ALA 69 CO 0.58 -0.89 0.21 1.33 0.00 0.00 0.00 175.76 176.99 1rry n VAL 70 N 5.00 0.00 -0.09 0.00 0.24 -1.26 -4.95 118.33 117.27 1rry n VAL 70 Ca 0.11 -0.78 -0.12 0.00 -2.04 0.00 0.00 64.34 61.51 1rry n VAL 70 Cb 0.47 -0.52 -0.05 0.00 -1.47 0.00 0.00 33.84 32.27 1rry n VAL 70 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 1rry n ASN 71 N -2.26 1.88 -4.90 -1.34 3.02 -1.26 -2.29 115.26 108.10 1rry n ASN 71 Ca 0.02 0.46 -0.33 0.00 -0.03 0.00 0.00 54.58 54.70 1rry n ASN 71 Cb 0.23 -0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 38.52 1rry n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rry s LEU 72 N -7.97 4.35 0.50 3.41 1.43 -1.26 -2.92 118.68 116.22 1rry s LEU 72 Ca -0.25 0.33 0.20 0.00 -1.03 0.00 0.00 54.13 53.37 1rry s LEU 72 Cb 0.05 -2.65 1.28 0.00 0.03 0.00 0.00 46.19 44.90 1rry s LEU 72 CO 0.38 0.25 2.09 -0.07 0.23 0.00 0.00 176.35 179.23 1rry h LEU 73 N 3.72 0.00 -1.34 1.79 3.38 -1.99 -0.86 115.31 120.02 1rry h LEU 73 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1rry h LEU 73 Cb 1.18 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1rry h LEU 73 CO 0.70 0.10 -0.03 -0.33 0.09 0.00 0.00 178.44 178.97 1rry h GLU 74 N 0.00 0.41 -0.04 1.13 3.07 -1.98 -1.49 114.58 115.68 1rry h GLU 74 Ca -0.00 -0.08 -0.24 0.00 -0.50 0.00 0.00 59.36 58.54 1rry h GLU 74 Cb 0.20 -0.06 0.01 0.00 -0.84 0.00 0.00 28.75 28.06 1rry h GLU 74 CO 0.01 0.46 -0.94 1.25 -1.40 0.00 0.00 179.01 178.39 1rry h HIS 75 N 0.40 0.90 -0.40 4.33 2.76 -1.57 -2.11 115.15 119.45 1rry h HIS 75 Ca 0.09 -0.46 -0.07 0.00 -2.20 0.00 0.00 60.37 57.72 1rry h HIS 75 Cb 0.31 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.14 1rry h HIS 75 CO 0.01 1.29 -0.03 -0.07 -1.30 0.00 0.00 177.93 177.83 1rry h LEU 76 N 0.37 0.72 -0.78 0.26 3.38 -1.19 -1.21 115.31 116.87 1rry h LEU 76 Ca -0.09 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1rry h LEU 76 Cb 1.58 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 42.12 1rry h LEU 76 CO 0.18 0.88 -0.15 0.00 0.09 0.00 0.00 178.44 179.44 1rry h ALA 77 N 0.87 0.96 -0.21 1.53 0.00 -1.33 -0.79 119.26 120.29 1rry h ALA 77 Ca 0.11 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1rry h ALA 77 Cb 0.53 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1rry h ALA 77 CO 0.03 0.61 -0.40 1.49 0.00 0.00 0.00 179.25 180.97 1rry h GLU 78 N 0.68 0.48 -0.09 0.00 4.57 -1.30 0.11 114.58 119.05 1rry h GLU 78 Ca 0.11 -0.24 -0.19 0.00 -1.18 0.00 0.00 59.36 57.86 1rry h GLU 78 Cb 0.63 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.22 1rry h GLU 78 CO 0.04 0.81 -0.75 0.00 -1.18 0.00 0.00 179.01 177.93 1rry h ARG 79 N 0.40 0.48 -0.01 1.92 3.08 -0.96 -1.65 114.38 117.64 1rry h ARG 79 Ca 0.04 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.68 1rry h ARG 79 Cb 0.88 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 1rry h ARG 79 CO 0.07 1.03 -0.03 0.82 -1.07 0.00 0.00 179.97 180.80 1rry h ILE 80 N 0.32 1.44 -0.80 2.04 2.04 -0.99 -1.98 117.51 119.58 1rry h ILE 80 Ca -0.04 -1.32 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1rry h ILE 80 Cb 1.34 2.30 -0.04 0.00 -0.74 0.00 0.00 36.82 39.68 1rry h ILE 80 CO 0.13 0.35 0.51 0.00 0.00 0.00 0.00 178.15 179.14 1rry h ALA 81 N 0.46 1.01 -0.25 1.87 0.00 -0.83 -1.89 119.26 119.62 1rry h ALA 81 Ca 0.00 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1rry h ALA 81 Cb 0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1rry h ALA 81 CO 0.01 0.45 -0.37 -0.97 0.00 0.00 0.00 179.25 178.37 1rry h ASN 82 N 1.09 0.60 -0.11 0.00 -0.73 -1.36 -2.95 115.58 112.12 1rry h ASN 82 Ca 0.29 -0.25 -0.14 0.00 1.87 0.00 0.00 56.30 58.06 1rry h ASN 82 Cb -0.09 -0.17 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 1rry h ASN 82 CO -0.06 0.91 -0.42 -0.09 -0.37 0.00 0.00 177.43 177.40 1rry h ARG 83 N 0.48 0.64 -0.08 6.67 9.65 -1.00 -2.67 114.38 128.06 1rry h ARG 83 Ca 0.05 -0.34 -0.05 0.00 -1.10 0.00 0.00 59.98 58.53 1rry h ARG 83 Cb 0.86 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.45 1rry h ARG 83 CO 0.07 0.95 -0.16 0.82 2.80 0.00 0.00 179.97 184.45 1rry h ILE 84 N 0.52 1.40 -0.60 1.20 2.04 -1.37 -3.06 117.51 117.65 1rry h ILE 84 Ca 0.04 -1.45 -0.04 0.00 1.00 0.00 0.00 64.86 64.41 1rry h ILE 84 Cb 0.95 2.16 -0.03 0.00 -0.74 0.00 0.00 36.82 39.16 1rry h ILE 84 CO 0.09 0.41 0.21 0.78 0.00 0.00 0.00 178.15 179.64 1rry h ASN 85 N -0.21 0.82 0.06 1.72 2.35 -1.59 -1.10 115.58 117.62 1rry h ASN 85 Ca 0.00 -0.12 -0.08 0.00 -0.55 0.00 0.00 56.30 55.55 1rry h ASN 85 Cb 0.74 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1rry h ASN 85 CO 0.04 0.75 -0.25 0.28 -1.65 0.00 0.00 177.43 176.59 1rry h SER 86 N 0.87 0.31 0.63 5.81 0.02 -1.53 -3.23 113.55 116.42 1rry h SER 86 Ca 0.20 -0.10 -0.24 0.00 -0.84 0.00 0.00 61.79 60.82 1rry h SER 86 Cb 0.21 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1rry h SER 86 CO -0.01 0.57 -1.52 1.56 -1.14 0.00 0.00 176.83 176.29 1rry h GLN 87 N 0.28 0.00 -4.89 3.45 4.20 -1.38 -3.46 115.11 113.31 1rry h GLN 87 Ca 0.04 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.11 1rry h GLN 87 Cb 0.60 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 28.03 1rry h GLN 87 CO 0.04 0.46 -0.84 0.71 -0.67 0.00 0.00 178.83 178.52 1rry s TYR 88 N -2.73 2.60 0.16 2.96 2.02 -0.44 -4.99 117.35 116.93 1rry s TYR 88 Ca -0.03 -1.56 -0.01 0.00 -0.37 0.00 0.00 57.07 55.10 1rry s TYR 88 Cb 0.08 -1.80 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 1rry s TYR 88 CO 0.82 -0.77 1.38 -0.97 -1.57 0.00 0.00 175.55 174.44 1rry h ASN 89 N 7.97 0.41 0.45 2.29 -0.00 -1.89 -3.18 115.58 121.63 1rry h ASN 89 Ca -0.41 -0.31 0.00 0.00 -0.00 0.00 0.00 56.30 55.58 1rry h ASN 89 Cb 1.13 -0.12 0.00 0.00 -0.00 0.00 0.00 38.32 39.33 1rry h ASN 89 CO 0.58 1.08 0.00 0.03 -0.00 0.00 0.00 177.43 179.13 1rry h ARG 90 N 0.20 0.00 -6.45 6.67 3.08 -1.95 -3.39 114.38 112.54 1rry h ARG 90 Ca -0.05 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.43 1rry h ARG 90 Cb 1.46 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.42 1rry h ARG 90 CO 0.14 0.00 0.89 0.08 -1.07 0.00 0.00 179.97 180.01 1rry s VAL 91 N -3.76 4.10 -0.57 2.04 1.01 -1.20 -4.35 120.40 117.66 1rry s VAL 91 Ca -0.01 0.81 0.25 0.00 0.00 0.00 0.00 61.98 63.02 1rry s VAL 91 Cb 0.10 -4.68 0.32 0.00 0.00 0.00 0.00 36.38 32.11 1rry s VAL 91 CO 0.42 -1.27 1.69 0.24 0.00 0.00 0.00 175.10 176.17 1rry h MET 92 N 9.48 0.00 -1.66 2.72 2.86 -0.50 -3.41 114.93 124.42 1rry h MET 92 Ca -0.25 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 1rry h MET 92 Cb 1.06 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.47 1rry h MET 92 CO 1.16 0.00 0.41 -2.00 1.06 0.00 0.00 176.91 177.54 1rry s GLU 93 N -3.16 0.55 -0.06 1.72 2.12 -1.24 -1.36 118.70 117.27 1rry s GLU 93 Ca 0.09 0.65 0.05 0.00 0.36 0.00 0.00 54.97 56.12 1rry s GLU 93 Cb 0.08 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.73 1rry s GLU 93 CO 0.63 -0.07 -0.23 0.99 -0.54 0.00 0.00 175.26 176.05 1rry s THR 94 N 0.23 2.26 -0.17 -1.70 2.01 0.12 -0.98 115.64 117.41 1rry s THR 94 Ca 0.03 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1rry s THR 94 Cb -0.05 -1.84 0.03 0.00 0.01 0.00 0.00 72.50 70.66 1rry s THR 94 CO -0.05 0.57 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.59 1rry s LYS 95 N -0.19 2.03 -0.14 4.92 2.20 -0.68 0.16 119.74 128.04 1rry s LYS 95 Ca -0.02 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1rry s LYS 95 Cb -0.14 -2.22 0.00 0.00 -1.51 0.00 0.00 37.83 33.97 1rry s LYS 95 CO 0.03 -0.35 -0.19 0.08 -0.36 0.00 0.00 175.35 174.57 1rry s VAL 96 N 1.47 2.42 -0.14 4.02 1.01 0.10 -1.87 120.40 127.41 1rry s VAL 96 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.15 1rry s VAL 96 Cb -0.15 -1.99 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1rry s VAL 96 CO -0.09 0.53 -0.21 -0.60 0.00 0.00 0.00 175.10 174.73 1rry s ARG 97 N 0.67 2.97 -0.06 2.72 3.52 -0.50 -0.70 118.95 127.58 1rry s ARG 97 Ca -0.09 -0.84 0.06 0.00 -0.13 0.00 0.00 55.73 54.73 1rry s ARG 97 Cb -0.16 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.80 1rry s ARG 97 CO 0.02 -0.04 -0.24 0.42 -0.81 0.00 0.00 175.30 174.65 1rry s ILE 98 N 0.88 1.97 -0.05 4.11 1.01 -0.46 -0.70 121.20 127.97 1rry s ILE 98 Ca -0.06 -1.02 0.05 0.00 0.00 0.00 0.00 60.65 59.63 1rry s ILE 98 Cb -0.15 -1.67 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 1rry s ILE 98 CO -0.03 0.55 -0.19 -0.89 0.00 0.00 0.00 174.94 174.38 1rry s THR 99 N -0.10 1.58 -0.58 2.92 2.01 0.76 -2.04 115.64 120.19 1rry s THR 99 Ca -0.05 -0.80 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 1rry s THR 99 Cb -0.14 -1.35 0.15 0.00 0.01 0.00 0.00 72.50 71.17 1rry s THR 99 CO 0.04 0.45 0.41 -0.54 -0.69 0.00 0.00 174.62 174.29 1rry s LYS 100 N -0.02 2.54 0.08 4.92 1.02 0.72 -1.62 119.74 127.37 1rry s LYS 100 Ca -0.03 -2.29 0.18 0.00 0.02 0.00 0.00 55.97 53.84 1rry s LYS 100 Cb -0.12 -3.79 0.76 0.00 -0.52 0.00 0.00 37.83 34.16 1rry s LYS 100 CO 0.02 -1.17 1.57 0.39 -0.92 0.00 0.00 175.35 175.25 1rry n GLU 101 N 3.92 0.06 -3.15 1.68 1.02 -1.26 -1.79 120.64 121.12 1rry n GLU 101 Ca 0.04 0.28 -0.18 0.00 -0.02 0.00 0.00 57.16 57.29 1rry n GLU 101 Cb 0.40 -1.61 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 1rry n GLU 101 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rry n ASN 102 N -1.72 0.51 -4.12 1.62 3.02 -1.26 -4.31 115.26 109.00 1rry n ASN 102 Ca 0.03 -3.04 -0.30 0.00 -0.03 0.00 0.00 54.58 51.24 1rry n ASN 102 Cb 0.20 -0.41 0.19 0.00 -0.61 0.00 0.00 39.78 39.16 1rry n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rry s PRO 103 N -2.11 0.40 -0.86 3.52 0.04 -1.26 -4.91 135.00 129.82 1rry s PRO 103 Ca 0.38 -0.33 -0.08 0.00 0.04 0.00 0.00 61.00 61.02 1rry s PRO 103 Cb 0.33 -1.81 -0.16 0.00 0.04 0.00 0.00 34.50 32.90 1rry s PRO 103 CO -0.08 -2.59 3.10 -2.30 0.04 0.00 0.00 177.00 175.17 1rry n PRO 104 N -3.91 2.77 -3.96 0.56 -0.02 -1.26 -4.80 135.00 124.39 1rry n PRO 104 Ca 0.15 -1.59 -0.31 0.00 -2.02 0.00 0.00 63.50 59.73 1rry n PRO 104 Cb 0.59 -2.41 -0.15 0.00 -0.02 0.00 0.00 33.50 31.51 1rry n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rry s ILE 105 N 1.82 1.70 -0.89 4.25 1.01 -1.26 -5.07 121.20 122.75 1rry s ILE 105 Ca 0.64 -1.44 -0.26 0.00 0.00 0.00 0.00 60.65 59.60 1rry s ILE 105 Cb 0.23 -1.98 -0.14 0.00 0.01 0.00 0.00 42.46 40.57 1rry s ILE 105 CO -0.03 -0.18 2.26 -2.84 0.00 0.00 0.00 174.94 174.15 1rry s PRO 106 N 1.30 1.68 0.03 2.79 0.02 -1.26 -4.79 135.00 134.76 1rry s PRO 106 Ca -0.04 0.09 -0.11 0.00 0.02 0.00 0.00 61.00 60.97 1rry s PRO 106 Cb -0.19 -4.89 0.04 0.00 0.02 0.00 0.00 34.50 29.48 1rry s PRO 106 CO -0.07 -4.52 0.52 0.41 -0.33 0.00 0.00 177.00 173.01 1rry n GLY 107 N 6.63 0.68 3.13 0.52 0.00 -1.26 -5.13 105.19 109.75 1rry n GLY 107 Ca 0.45 -0.97 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1rry n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rry s HIS 108 N -3.31 2.96 0.14 1.61 3.76 -1.26 -5.09 115.29 114.10 1rry s HIS 108 Ca 0.12 -1.78 -0.21 0.00 -0.15 0.00 0.00 55.06 53.04 1rry s HIS 108 Cb -0.01 -1.95 0.06 0.00 1.11 0.00 0.00 32.58 31.79 1rry s HIS 108 CO 0.01 -0.80 0.54 1.52 -0.85 0.00 0.00 174.74 175.16 1rry s TYR 109 N 1.26 -0.45 -0.26 1.40 -0.85 -1.26 -5.04 117.35 112.14 1rry s TYR 109 Ca 0.01 0.25 0.20 0.00 -0.52 0.00 0.00 57.07 57.00 1rry s TYR 109 Cb -0.15 0.46 0.29 0.00 0.38 0.00 0.00 41.96 42.94 1rry s TYR 109 CO -0.09 -0.79 1.57 -0.44 -1.52 0.00 0.00 175.55 174.28 1rry h ASP 110 N 2.19 0.00 -0.45 -0.18 3.32 -1.98 -3.49 116.42 115.82 1rry h ASP 110 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1rry h ASP 110 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1rry h ASP 110 CO 0.41 0.23 0.00 0.61 -1.72 0.00 0.00 179.24 178.77 1rry n GLY 111 N 1.06 2.45 3.24 2.75 0.00 -1.26 -4.62 105.19 108.81 1rry n GLY 111 Ca 0.03 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.79 1rry n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rry s VAL 112 N -2.00 0.89 -1.76 1.61 -7.23 -0.74 -4.95 120.40 106.23 1rry s VAL 112 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1rry s VAL 112 Cb 0.00 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.95 1rry s VAL 112 CO 0.00 -0.61 0.00 0.61 -0.31 0.00 0.00 175.10 174.79 1rry n GLY 113 N -0.22 -0.89 3.20 2.32 0.00 -1.26 -0.20 105.19 108.15 1rry n GLY 113 Ca -0.09 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1rry n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rry s ILE 114 N -3.00 0.09 -0.14 -0.61 -5.25 -0.87 -5.02 121.20 106.41 1rry s ILE 114 Ca 0.00 -1.76 -0.07 0.00 -0.99 0.00 0.00 60.65 57.83 1rry s ILE 114 Cb 0.00 -1.98 0.05 0.00 2.95 0.00 0.00 42.46 43.49 1rry s ILE 114 CO 0.00 -0.43 0.33 -0.70 -1.79 0.00 0.00 174.94 172.36 1rry s GLU 115 N -4.02 0.30 0.13 0.37 2.12 -1.26 -1.35 118.70 114.99 1rry s GLU 115 Ca 0.22 0.66 0.08 0.00 0.36 0.00 0.00 54.97 56.29 1rry s GLU 115 Cb 0.06 -0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.35 1rry s GLU 115 CO 0.01 -0.16 -0.20 0.96 -0.54 0.00 0.00 175.26 175.33 1rry s ILE 116 N 1.32 1.77 -0.14 -3.70 -4.36 0.12 -4.98 121.20 111.23 1rry s ILE 116 Ca -0.09 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.60 1rry s ILE 116 Cb -0.09 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.96 1rry s ILE 116 CO -0.11 -0.16 -0.13 -0.69 0.24 0.00 0.00 174.94 174.10 1rry s VAL 117 N -1.51 1.46 -0.19 8.37 1.01 -1.26 -0.72 120.40 127.55 1rry s VAL 117 Ca 0.10 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1rry s VAL 117 Cb -0.08 -1.39 0.03 0.00 0.00 0.00 0.00 36.38 34.94 1rry s VAL 117 CO 0.05 0.43 -0.14 -0.13 0.00 0.00 0.00 175.10 175.31 1rry s ARG 118 N 1.53 2.40 0.59 2.72 1.81 0.42 -4.98 118.95 123.45 1rry s ARG 118 Ca 0.05 -0.87 -0.17 0.00 -1.72 0.00 0.00 55.73 53.02 1rry s ARG 118 Cb -0.13 -2.48 -0.04 0.00 -0.45 0.00 0.00 34.95 31.86 1rry s ARG 118 CO -0.10 -0.35 1.08 -1.83 -0.68 0.00 0.00 175.30 173.42 1rry s GLU 119 N 1.33 3.25 -0.43 3.54 -1.05 -1.26 0.12 118.70 124.20 1rry s GLU 119 Ca 0.01 1.35 -0.21 0.00 -0.15 0.00 0.00 54.97 55.97 1rry s GLU 119 Cb -0.15 -2.01 0.02 0.00 -0.44 0.00 0.00 34.13 31.55 1rry s GLU 119 CO -0.10 -0.88 0.63 1.21 0.95 0.00 0.00 175.26 177.07 1rry s ASN 120 N -2.43 6.32 0.00 0.83 3.84 -0.46 -4.83 114.94 118.20 1rry s ASN 120 Ca 0.67 -0.34 0.28 0.00 0.21 0.00 0.00 52.86 53.69 1rry s ASN 120 Cb -0.19 -2.31 1.16 0.00 -0.55 0.00 0.00 41.25 39.35 1rry s ASN 120 CO 0.34 -0.76 1.80 0.29 -2.79 0.00 0.00 177.10 175.98