#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkt s GLY 5 N 0.00 0.05 -1.25 -1.84 0.00 -1.26 -4.07 107.32 98.95 1pkt s GLY 5 Ca 0.00 2.84 -0.19 0.00 0.00 0.00 0.00 44.72 47.37 1pkt s GLY 5 CO 0.00 1.47 1.70 -0.19 0.00 0.00 0.00 173.10 176.08 1pkt s TYR 6 N -0.50 2.71 0.19 1.90 1.51 0.14 -4.30 117.35 119.00 1pkt s TYR 6 Ca 0.05 -1.44 -0.24 0.00 -1.01 0.00 0.00 57.07 54.43 1pkt s TYR 6 Cb -0.03 -4.73 -0.08 0.00 -0.11 0.00 0.00 41.96 37.01 1pkt s TYR 6 CO -0.08 -1.81 0.77 -0.65 -1.11 0.00 0.00 175.55 172.67 1pkt s GLN 7 N 4.42 4.49 0.44 -0.62 -0.21 -0.85 -1.92 119.66 125.41 1pkt s GLN 7 Ca 0.53 1.10 0.05 0.00 0.02 0.00 0.00 55.36 57.06 1pkt s GLN 7 Cb 0.03 -3.14 -0.06 0.00 1.00 0.00 0.00 33.01 30.85 1pkt s GLN 7 CO 0.05 0.51 0.01 0.71 -2.12 0.00 0.00 175.29 174.46 1pkt s TYR 8 N -1.27 2.26 -0.20 0.91 2.02 -0.82 -2.42 117.35 117.84 1pkt s TYR 8 Ca 0.38 -0.79 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 1pkt s TYR 8 Cb -0.21 -1.69 0.00 0.00 -0.40 0.00 0.00 41.96 39.66 1pkt s TYR 8 CO 0.25 0.34 -0.11 0.50 -1.57 0.00 0.00 175.55 174.96 1pkt s ARG 9 N -3.77 3.24 0.15 -0.62 6.06 -1.01 -1.76 118.95 121.23 1pkt s ARG 9 Ca 0.25 -0.70 -0.34 0.00 -2.50 0.00 0.00 55.73 52.44 1pkt s ARG 9 Cb 0.07 -2.82 -0.16 0.00 0.06 0.00 0.00 34.95 32.10 1pkt s ARG 9 CO 0.13 -0.16 1.23 0.00 -2.50 0.00 0.00 175.30 174.00 1pkt n ALA 10 N 4.62 -0.72 -0.01 6.12 0.00 -1.00 -1.83 120.51 127.68 1pkt n ALA 10 Ca -0.19 0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.71 1pkt n ALA 10 Cb 0.51 -2.06 -0.01 0.00 0.00 0.00 0.00 19.45 17.89 1pkt n ALA 10 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkt n LEU 11 N 2.20 2.81 0.00 0.00 4.77 -0.50 -2.50 117.00 123.79 1pkt n LEU 11 Ca 0.16 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1pkt n LEU 11 Cb 0.23 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1pkt n LEU 11 CO 0.61 0.52 0.00 -1.22 -1.33 0.00 0.00 177.39 175.97 1pkt n TYR 12 N -2.55 0.00 -4.13 -1.77 4.02 -1.09 -4.41 117.16 107.23 1pkt n TYR 12 Ca -0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 57.90 57.66 1pkt n TYR 12 Cb 0.55 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.72 1pkt n TYR 12 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 176.86 176.01 1pkt s ASP 13 N 1.00 0.75 -0.11 7.72 1.47 -1.26 0.47 116.67 126.72 1pkt s ASP 13 Ca 0.00 -0.10 0.02 0.00 1.18 0.00 0.00 52.55 53.65 1pkt s ASP 13 Cb 0.00 -0.31 0.01 0.00 -0.34 0.00 0.00 42.92 42.29 1pkt s ASP 13 CO 0.00 -0.03 -0.18 -0.47 0.68 0.00 0.00 175.17 175.17 1pkt s TYR 14 N 0.65 2.12 0.34 2.11 5.04 -0.10 -4.88 117.35 122.63 1pkt s TYR 14 Ca -0.08 -0.96 -0.26 0.00 -2.44 0.00 0.00 57.07 53.34 1pkt s TYR 14 Cb -0.11 -1.49 -0.10 0.00 0.35 0.00 0.00 41.96 40.61 1pkt s TYR 14 CO -0.00 -0.46 0.95 -1.59 -1.34 0.00 0.00 175.55 173.11 1pkt s LYS 15 N 0.78 4.54 -0.96 4.97 -2.85 -1.26 -0.25 119.74 124.70 1pkt s LYS 15 Ca -0.10 1.31 -0.25 0.00 -1.00 0.00 0.00 55.97 55.93 1pkt s LYS 15 Cb -0.16 -2.73 -0.11 0.00 -2.06 0.00 0.00 37.83 32.78 1pkt s LYS 15 CO 0.01 0.24 2.08 0.21 0.10 0.00 0.00 175.35 178.00 1pkt s LYS 16 N -2.18 2.10 0.00 1.78 2.20 -1.26 -4.75 119.74 117.63 1pkt s LYS 16 Ca 0.52 -0.31 0.00 0.00 -0.36 0.00 0.00 55.97 55.81 1pkt s LYS 16 Cb -0.18 -5.02 0.00 0.00 -1.51 0.00 0.00 37.83 31.12 1pkt s LYS 16 CO 0.23 -4.10 0.13 -1.91 -0.36 0.00 0.00 175.35 169.34 1pkt n GLU 17 N 8.62 0.00 -3.29 4.03 4.07 -1.26 -4.85 120.64 127.95 1pkt n GLU 17 Ca 0.43 0.12 -0.35 0.00 -0.06 0.00 0.00 57.16 57.30 1pkt n GLU 17 Cb 0.46 -0.72 -0.06 0.00 -0.06 0.00 0.00 31.44 31.06 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1pkt s ARG 18 N -0.49 4.01 0.64 5.31 0.52 -1.26 -4.93 118.95 122.75 1pkt s ARG 18 Ca 0.00 0.55 0.32 0.00 -0.52 0.00 0.00 55.73 56.08 1pkt s ARG 18 Cb 0.00 -2.83 1.75 0.00 0.52 0.00 0.00 34.95 34.39 1pkt s ARG 18 CO 0.00 0.41 1.98 0.93 0.02 0.00 0.00 175.30 178.64 1pkt h GLU 19 N 3.26 0.00 -0.16 3.54 5.08 -2.01 0.40 114.58 124.68 1pkt h GLU 19 Ca -0.48 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.69 1pkt h GLU 19 Cb 1.19 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.44 1pkt h GLU 19 CO 0.66 0.00 -0.65 1.05 -1.00 0.00 0.00 179.01 179.07 1pkt h GLU 20 N 0.00 0.62 -6.97 2.33 4.11 -1.95 -3.45 114.58 109.27 1pkt h GLU 20 Ca 0.00 -0.45 -0.44 0.00 0.07 0.00 0.00 59.36 58.54 1pkt h GLU 20 Cb 0.51 0.07 0.06 0.00 0.50 0.00 0.00 28.75 29.89 1pkt h GLU 20 CO 0.00 1.07 0.04 0.16 0.07 0.00 0.00 179.01 180.35 1pkt s ASP 21 N -6.98 5.15 0.46 3.06 1.47 0.13 -2.35 116.67 117.61 1pkt s ASP 21 Ca -0.08 0.13 0.03 0.00 1.18 0.00 0.00 52.55 53.81 1pkt s ASP 21 Cb 0.10 -0.95 -0.01 0.00 -0.34 0.00 0.00 42.92 41.72 1pkt s ASP 21 CO 0.86 -1.27 0.10 0.27 0.68 0.00 0.00 175.17 175.81 1pkt s ILE 22 N -2.90 0.69 0.73 2.11 -4.36 -0.76 -4.74 121.20 111.97 1pkt s ILE 22 Ca 0.58 -2.00 -0.11 0.00 -0.26 0.00 0.00 60.65 58.85 1pkt s ILE 22 Cb -0.10 -2.20 0.03 0.00 1.25 0.00 0.00 42.46 41.44 1pkt s ILE 22 CO 0.40 0.00 1.10 -1.81 0.24 0.00 0.00 174.94 174.87 1pkt s ASP 23 N -3.72 5.18 -0.05 4.36 1.11 -1.26 -4.23 116.67 118.06 1pkt s ASP 23 Ca 0.15 1.16 -0.21 0.00 0.18 0.00 0.00 52.55 53.82 1pkt s ASP 23 Cb 0.01 -1.92 0.04 0.00 1.07 0.00 0.00 42.92 42.12 1pkt s ASP 23 CO 0.10 -1.51 0.48 -0.76 1.18 0.00 0.00 175.17 174.65 1pkt s LEU 24 N -5.47 0.17 -0.23 1.23 1.43 0.65 -4.82 118.68 111.65 1pkt s LEU 24 Ca 0.59 0.46 -0.15 0.00 -1.03 0.00 0.00 54.13 54.00 1pkt s LEU 24 Cb -0.12 1.82 0.07 0.00 0.03 0.00 0.00 46.19 47.98 1pkt s LEU 24 CO 0.52 -0.47 0.56 -1.00 0.23 0.00 0.00 176.35 176.20 1pkt s HIS 25 N -1.05 -0.80 0.28 0.29 3.76 -1.17 -0.93 115.29 115.67 1pkt s HIS 25 Ca -0.11 1.69 -0.29 0.00 -0.15 0.00 0.00 55.06 56.21 1pkt s HIS 25 Cb -0.03 0.40 -0.14 0.00 1.11 0.00 0.00 32.58 33.92 1pkt s HIS 25 CO 0.06 -0.41 1.08 -0.11 -0.85 0.00 0.00 174.74 174.51 1pkt n LEU 26 N 3.89 2.06 0.00 0.89 0.00 0.18 -1.23 117.00 122.78 1pkt n LEU 26 Ca -0.19 1.18 0.00 0.00 0.00 0.00 0.00 56.01 56.99 1pkt n LEU 26 Cb 0.57 -1.31 0.00 0.00 0.00 0.00 0.00 43.42 42.67 1pkt n LEU 26 CO 0.04 -1.23 0.00 0.61 0.00 0.00 0.00 177.39 176.81 1pkt n GLY 27 N 1.28 0.84 2.26 -3.96 0.00 -1.04 -4.92 105.19 99.65 1pkt n GLY 27 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1pkt n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pkt n ASP 28 N 0.00 -0.06 -3.87 1.61 8.00 -0.37 -4.82 116.55 117.04 1pkt n ASP 28 Ca 0.00 -1.26 -0.22 0.00 0.71 0.00 0.00 54.79 54.02 1pkt n ASP 28 Cb 0.00 -0.60 -0.17 0.00 -0.02 0.00 0.00 41.12 40.33 1pkt n ASP 28 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1pkt s ILE 29 N -2.68 0.61 0.04 0.53 -1.09 -1.26 -2.36 121.20 114.99 1pkt s ILE 29 Ca 0.44 -0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.76 1pkt s ILE 29 Cb -0.01 -0.66 -0.04 0.00 -1.58 0.00 0.00 42.46 40.17 1pkt s ILE 29 CO 0.31 0.27 0.15 -0.76 -1.23 0.00 0.00 174.94 173.68 1pkt s LEU 30 N 1.32 4.16 -0.48 2.97 1.43 -0.72 -1.77 118.68 125.58 1pkt s LEU 30 Ca -0.04 0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 1pkt s LEU 30 Cb -0.14 -2.69 0.16 0.00 0.03 0.00 0.00 46.19 43.56 1pkt s LEU 30 CO -0.02 0.20 0.35 -0.89 0.23 0.00 0.00 176.35 176.22 1pkt s THR 31 N -1.40 1.14 -0.30 5.49 2.01 -0.26 -1.95 115.64 120.37 1pkt s THR 31 Ca 0.31 -2.96 -0.29 0.00 0.31 0.00 0.00 61.69 59.05 1pkt s THR 31 Cb -0.13 -1.78 0.01 0.00 0.01 0.00 0.00 72.50 70.62 1pkt s THR 31 CO 0.23 -1.10 1.09 -0.69 -0.69 0.00 0.00 174.62 173.46 1pkt s VAL 32 N -0.19 4.50 0.77 3.82 1.01 -0.81 -1.57 120.40 127.94 1pkt s VAL 32 Ca 0.27 1.75 -0.15 0.00 0.00 0.00 0.00 61.98 63.85 1pkt s VAL 32 Cb -0.05 -4.38 0.04 0.00 0.00 0.00 0.00 36.38 31.99 1pkt s VAL 32 CO -0.14 -0.43 1.06 -3.20 0.00 0.00 0.00 175.10 172.38 1pkt n ASN 33 N 6.84 0.67 -4.77 3.32 5.15 -1.26 0.25 115.26 125.46 1pkt n ASN 33 Ca 0.12 0.62 -0.38 0.00 -0.60 0.00 0.00 54.58 54.35 1pkt n ASN 33 Cb 0.47 -1.45 -0.00 0.00 -0.53 0.00 0.00 39.78 38.27 1pkt n ASN 33 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1pkt s LYS 34 N -3.68 3.75 0.00 1.20 2.20 -1.26 -3.31 119.74 118.64 1pkt s LYS 34 Ca 0.73 1.90 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1pkt s LYS 34 Cb -0.32 -2.48 0.00 0.00 -1.51 0.00 0.00 37.83 33.53 1pkt s LYS 34 CO 0.51 -0.59 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 1pkt n GLY 35 N 0.54 1.88 0.35 5.54 0.00 -1.26 -4.62 105.19 107.62 1pkt n GLY 35 Ca 0.07 -0.21 0.15 0.00 0.00 0.00 0.00 46.02 46.03 1pkt n GLY 35 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1pkt h SER 36 N 0.00 0.00 0.31 1.61 0.87 -1.93 0.54 113.55 114.95 1pkt h SER 36 Ca 0.00 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.23 1pkt h SER 36 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 1pkt h SER 36 CO 0.00 0.00 -1.85 -0.11 -0.53 0.00 0.00 176.83 174.34 1pkt n LEU 37 N -2.98 1.79 -0.52 2.23 0.00 -1.24 -3.92 117.00 112.35 1pkt n LEU 37 Ca -0.00 0.32 0.13 0.00 0.00 0.00 0.00 56.01 56.45 1pkt n LEU 37 Cb 0.48 -0.50 0.47 0.00 0.00 0.00 0.00 43.42 43.86 1pkt n LEU 37 CO 0.14 0.63 0.83 0.52 0.00 0.00 0.00 177.39 179.52 1pkt n VAL 38 N -3.27 0.07 1.71 1.96 0.31 0.84 -3.89 118.33 116.05 1pkt n VAL 38 Ca -0.24 -0.29 0.07 0.00 -0.01 0.00 0.00 64.34 63.87 1pkt n VAL 38 Cb 1.05 0.49 0.44 0.00 -0.91 0.00 0.00 33.84 34.91 1pkt n VAL 38 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1pkt n ALA 39 N 0.27 2.44 -0.06 3.52 0.00 0.15 -3.00 120.51 123.84 1pkt n ALA 39 Ca 0.18 -0.09 -0.07 0.00 0.00 0.00 0.00 53.44 53.45 1pkt n ALA 39 Cb 0.36 -1.24 -0.15 0.00 0.00 0.00 0.00 19.45 18.42 1pkt n ALA 39 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pkt n LEU 40 N -0.77 0.32 0.00 0.00 4.77 -1.25 -4.97 117.00 115.09 1pkt n LEU 40 Ca 0.11 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1pkt n LEU 40 Cb 0.05 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1pkt n LEU 40 CO 0.08 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1pkt n GLY 41 N 1.63 0.80 0.00 -0.72 0.00 -1.16 -5.13 105.19 100.61 1pkt n GLY 41 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1pkt n GLY 41 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1pkt n PHE 42 N 0.00 -1.31 -3.52 1.61 3.72 -1.26 -5.05 117.46 111.65 1pkt n PHE 42 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1pkt n PHE 42 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1pkt n SER 43 N -1.73 1.49 -3.86 4.37 3.41 -1.26 -5.03 113.62 111.01 1pkt n SER 43 Ca 0.00 -0.52 -0.42 0.00 -0.26 0.00 0.00 58.87 57.66 1pkt n SER 43 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1pkt n SER 43 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pkt n ASP 44 N -0.80 5.26 0.00 4.04 2.03 -1.26 -3.94 116.55 121.88 1pkt n ASP 44 Ca 0.00 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.17 1pkt n ASP 44 Cb 0.00 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 1pkt n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pkt n GLY 45 N 2.65 0.97 0.17 0.27 0.00 -1.26 -4.97 105.19 103.02 1pkt n GLY 45 Ca 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 46.02 46.38 1pkt n GLY 45 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1pkt h GLN 46 N 0.00 0.03 -1.25 1.61 1.08 -1.96 -2.97 115.11 111.64 1pkt h GLN 46 Ca 0.00 -0.01 0.39 0.00 -1.45 0.00 0.00 58.65 57.58 1pkt h GLN 46 Cb 0.00 -0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.31 1pkt h GLN 46 CO 0.00 0.47 0.81 1.05 -0.95 0.00 0.00 178.83 180.21 1pkt h GLU 47 N 0.02 0.15 -1.66 1.46 9.09 -1.94 0.75 114.58 122.46 1pkt h GLU 47 Ca -0.00 -0.01 -0.27 0.00 0.05 0.00 0.00 59.36 59.13 1pkt h GLU 47 Cb 0.80 -0.03 -0.11 0.00 -1.65 0.00 0.00 28.75 27.75 1pkt h GLU 47 CO 0.06 0.10 0.32 0.00 0.05 0.00 0.00 179.01 179.54 1pkt n ALA 48 N -2.52 5.03 -3.11 1.06 0.00 -1.12 -4.35 120.51 115.50 1pkt n ALA 48 Ca 0.34 -1.44 -0.19 0.00 0.00 0.00 0.00 53.44 52.15 1pkt n ALA 48 Cb 1.30 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 19.35 1pkt n ALA 48 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1pkt n ARG 49 N 0.65 0.85 -0.28 0.00 3.00 0.26 -4.85 116.66 116.29 1pkt n ARG 49 Ca 0.26 -3.02 -0.03 0.00 -0.00 0.00 0.00 57.85 55.06 1pkt n ARG 49 Cb 0.57 -1.42 0.09 0.00 0.00 0.00 0.00 32.46 31.70 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 1pkt h PRO 50 N 3.49 0.96 -0.44 -0.14 0.11 -1.80 0.91 132.00 135.09 1pkt h PRO 50 Ca 0.05 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 1pkt h PRO 50 Cb 0.95 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 31.82 1pkt h PRO 50 CO 0.43 0.63 0.23 1.05 -0.21 0.00 0.00 178.00 180.14 1pkt h GLU 51 N 0.99 0.60 -0.02 1.05 4.11 -1.80 -1.61 114.58 117.90 1pkt h GLU 51 Ca 0.31 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 59.68 1pkt h GLU 51 Cb -0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.12 1pkt h GLU 51 CO -0.11 0.45 -0.32 0.39 0.07 0.00 0.00 179.01 179.49 1pkt n GLU 52 N -4.41 1.44 -0.07 1.06 4.71 -0.64 -4.34 120.64 118.38 1pkt n GLU 52 Ca 0.03 -1.15 -0.13 0.00 -0.01 0.00 0.00 57.16 55.90 1pkt n GLU 52 Cb 0.11 -1.48 -0.12 0.00 -1.01 0.00 0.00 31.44 28.93 1pkt n GLU 52 CO 0.00 0.00 0.00 0.82 0.09 0.00 0.00 177.13 178.04 1pkt h ILE 53 N 2.81 1.72 0.00 -3.67 2.04 0.18 -3.49 117.51 117.10 1pkt h ILE 53 Ca 0.00 -2.28 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1pkt h ILE 53 Cb 0.77 3.25 0.00 0.00 -0.74 0.00 0.00 36.82 40.10 1pkt h ILE 53 CO 0.00 0.58 0.00 0.61 0.00 0.00 0.00 178.15 179.34 1pkt n GLY 54 N 1.61 2.25 3.03 5.37 0.00 -1.06 -5.00 105.19 111.39 1pkt n GLY 54 Ca -0.10 -0.75 -0.13 0.00 0.00 0.00 0.00 46.02 45.05 1pkt n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1pkt s TRP 55 N 0.00 -0.34 0.02 1.61 0.52 -1.26 -1.79 118.94 117.70 1pkt s TRP 55 Ca 0.00 0.82 0.07 0.00 0.02 0.00 0.00 56.10 57.00 1pkt s TRP 55 Cb 0.00 0.01 -0.03 0.00 -1.15 0.00 0.00 33.47 32.30 1pkt s TRP 55 CO 0.00 -0.26 -0.18 -0.51 0.02 0.00 0.00 176.95 176.02 1pkt s LEU 56 N 1.58 2.57 -0.38 2.99 1.02 -0.41 -4.82 118.68 121.23 1pkt s LEU 56 Ca -0.06 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.57 1pkt s LEU 56 Cb -0.11 -1.50 0.01 0.00 0.02 0.00 0.00 46.19 44.61 1pkt s LEU 56 CO -0.08 0.28 0.25 0.21 0.02 0.00 0.00 176.35 177.02 1pkt s ASN 57 N -1.23 5.94 0.00 2.29 3.04 -1.26 -1.67 114.94 122.05 1pkt s ASN 57 Ca 0.14 -0.79 0.00 0.00 0.04 0.00 0.00 52.86 52.24 1pkt s ASN 57 Cb -0.10 -2.10 0.00 0.00 -1.54 0.00 0.00 41.25 37.50 1pkt s ASN 57 CO 0.04 -0.36 0.00 0.61 -3.04 0.00 0.00 177.10 174.34 1pkt n GLY 58 N 5.09 5.03 2.95 1.21 0.00 -0.71 -4.49 105.19 114.26 1pkt n GLY 58 Ca -0.12 -1.52 -0.31 0.00 0.00 0.00 0.00 46.02 44.07 1pkt n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1pkt s TYR 59 N -1.13 2.88 -0.82 1.61 6.14 -0.61 -2.31 117.35 123.11 1pkt s TYR 59 Ca 0.00 -2.28 -0.26 0.00 0.64 0.00 0.00 57.07 55.17 1pkt s TYR 59 Cb 0.00 -2.14 0.03 0.00 0.42 0.00 0.00 41.96 40.28 1pkt s TYR 59 CO 0.00 -0.87 1.38 -0.80 0.64 0.00 0.00 175.55 175.90 1pkt s ASN 60 N 1.22 6.19 0.43 4.32 0.01 -0.25 -1.10 114.94 125.76 1pkt s ASN 60 Ca 0.03 -0.70 0.10 0.00 -0.71 0.00 0.00 52.86 51.58 1pkt s ASN 60 Cb -0.19 -2.56 0.95 0.00 0.41 0.00 0.00 41.25 39.86 1pkt s ASN 60 CO -0.10 -1.80 2.04 -0.33 -1.51 0.00 0.00 177.10 175.40 1pkt h GLU 61 N 10.26 0.45 -1.01 -0.60 5.08 -1.63 0.26 114.58 127.40 1pkt h GLU 61 Ca -0.13 -0.03 0.29 0.00 -1.00 0.00 0.00 59.36 58.49 1pkt h GLU 61 Cb 1.04 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.15 1pkt h GLU 61 CO 1.32 0.30 0.77 1.15 -1.00 0.00 0.00 179.01 181.55 1pkt h THR 62 N 0.46 0.41 0.00 1.13 2.02 -1.89 -0.73 112.91 114.32 1pkt h THR 62 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.37 1pkt h THR 62 Cb 0.17 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 1pkt h THR 62 CO -0.05 0.00 0.00 1.07 0.37 0.00 0.00 175.52 176.91 1pkt n THR 63 N -4.08 0.37 -3.79 3.16 5.66 -0.56 -5.01 114.28 110.03 1pkt n THR 63 Ca 0.21 -0.51 -0.23 0.00 -3.05 0.00 0.00 64.05 60.47 1pkt n THR 63 Cb 1.11 0.96 0.01 0.00 -1.55 0.00 0.00 70.33 70.87 1pkt n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pkt n GLY 64 N -0.19 -0.27 3.25 1.09 0.00 0.83 -4.97 105.19 104.92 1pkt n GLY 64 Ca 0.00 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1pkt n GLY 64 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pkt s GLU 65 N -6.19 1.34 -0.10 1.61 0.41 -1.02 -4.98 118.70 109.77 1pkt s GLU 65 Ca 0.03 -0.95 0.02 0.00 -0.41 0.00 0.00 54.97 53.65 1pkt s GLU 65 Cb -0.01 -1.46 0.02 0.00 -1.78 0.00 0.00 34.13 30.89 1pkt s GLU 65 CO 0.84 0.37 -0.14 0.50 -0.49 0.00 0.00 175.26 176.34 1pkt s ARG 66 N -1.25 2.08 0.00 1.61 3.52 -1.26 -1.09 118.95 122.57 1pkt s ARG 66 Ca 0.07 -0.51 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 1pkt s ARG 66 Cb -0.09 -1.79 0.00 0.00 -1.56 0.00 0.00 34.95 31.51 1pkt s ARG 66 CO 0.02 -0.07 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1pkt n GLY 67 N 4.21 -0.97 3.94 8.12 0.00 -0.98 -4.95 105.19 114.57 1pkt n GLY 67 Ca -0.19 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 1pkt n GLY 67 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkt s ASP 68 N -4.00 6.30 0.06 1.61 1.47 -0.99 -1.74 116.67 119.37 1pkt s ASP 68 Ca 0.00 0.45 -0.27 0.00 1.18 0.00 0.00 52.55 53.91 1pkt s ASP 68 Cb 0.00 -2.03 0.09 0.00 -0.34 0.00 0.00 42.92 40.64 1pkt s ASP 68 CO 0.00 -0.29 0.78 0.72 0.68 0.00 0.00 175.17 177.06 1pkt s PHE 69 N -2.31 -0.41 -0.05 2.11 -0.12 -0.67 -1.82 117.98 114.70 1pkt s PHE 69 Ca 0.40 0.24 -0.29 0.00 -0.05 0.00 0.00 56.93 57.23 1pkt s PHE 69 Cb -0.10 0.55 -0.08 0.00 -0.63 0.00 0.00 43.02 42.77 1pkt s PHE 69 CO 0.36 -0.67 2.07 -2.30 -0.05 0.00 0.00 175.22 174.63 1pkt n PRO 70 N -0.30 2.56 0.29 1.99 -0.02 -1.26 -1.29 135.00 136.97 1pkt n PRO 70 Ca -0.12 0.87 0.17 0.00 -2.02 0.00 0.00 63.50 62.41 1pkt n PRO 70 Cb 0.63 -3.10 0.82 0.00 -0.02 0.00 0.00 33.50 31.83 1pkt n PRO 70 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1pkt h GLY 71 N 12.22 0.00 2.00 -1.23 0.00 -1.51 -2.05 103.07 112.51 1pkt h GLY 71 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1pkt h GLY 71 CO 0.95 0.00 0.00 -0.91 0.00 0.00 0.00 176.54 176.58 1pkt h THR 72 N 0.00 0.00 -0.60 4.70 1.35 -1.78 -1.40 112.91 115.17 1pkt h THR 72 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1pkt h THR 72 Cb 0.35 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1pkt h THR 72 CO 0.01 0.00 0.00 -1.22 -0.25 0.00 0.00 175.52 174.06 1pkt n TYR 73 N -2.60 1.87 -4.21 4.73 4.01 -0.77 -4.79 117.16 115.41 1pkt n TYR 73 Ca -0.00 -0.68 -0.12 0.00 -0.16 0.00 0.00 57.90 56.94 1pkt n TYR 73 Cb 0.15 -0.42 -0.10 0.00 -0.31 0.00 0.00 39.34 38.67 1pkt n TYR 73 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 1pkt s VAL 74 N -2.42 0.78 -0.40 -0.72 -7.23 -0.53 -1.40 120.40 108.47 1pkt s VAL 74 Ca 0.53 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1pkt s VAL 74 Cb 0.38 -1.85 0.14 0.00 0.56 0.00 0.00 36.38 35.61 1pkt s VAL 74 CO 0.19 -0.72 0.22 -1.83 -0.31 0.00 0.00 175.10 172.65 1pkt s GLU 75 N -3.84 0.95 0.15 4.82 -1.05 -0.76 -4.62 118.70 114.34 1pkt s GLU 75 Ca 0.17 -1.68 -0.28 0.00 -0.15 0.00 0.00 54.97 53.03 1pkt s GLU 75 Cb 0.05 -1.88 -0.16 0.00 -0.44 0.00 0.00 34.13 31.69 1pkt s GLU 75 CO -0.01 -1.17 0.59 0.98 0.95 0.00 0.00 175.26 176.59 1pkt n TYR 76 N 3.81 -0.23 -0.88 4.83 9.36 -1.26 -2.40 117.16 130.38 1pkt n TYR 76 Ca 0.09 0.91 0.00 0.00 3.32 0.00 0.00 57.90 62.23 1pkt n TYR 76 Cb 0.36 -1.84 0.00 0.00 -0.63 0.00 0.00 39.34 37.23 1pkt n TYR 76 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 1pkt n ILE 77 N 0.29 0.19 0.00 2.97 5.41 -1.01 -4.84 119.36 122.36 1pkt n ILE 77 Ca 0.17 -0.19 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1pkt n ILE 77 Cb 0.20 0.88 0.00 0.00 -0.71 0.00 0.00 39.64 40.01 1pkt n ILE 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkt n GLY 78 N -0.10 1.29 0.00 7.39 0.00 -1.24 -5.00 105.19 107.53 1pkt n GLY 78 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1pkt n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36