#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 -0.58 0.24 -1.84 0.00 -1.25 -4.64 107.32 99.25 1pkt s GLY 5 Ca 0.00 0.86 -0.26 0.00 0.00 0.00 0.00 44.72 45.31 1pkt s GLY 5 CO 0.00 0.47 0.87 -0.19 0.00 0.00 0.00 173.10 174.25 1pkt s TYR 6 N -2.75 3.85 -0.13 1.90 1.51 0.29 -4.55 117.35 117.45 1pkt s TYR 6 Ca -0.03 1.74 -0.04 0.00 -1.01 0.00 0.00 57.07 57.74 1pkt s TYR 6 Cb -0.01 -2.86 0.07 0.00 -0.11 0.00 0.00 41.96 39.05 1pkt s TYR 6 CO -0.04 0.39 0.21 -0.65 -1.11 0.00 0.00 175.55 174.34 1pkt s GLN 7 N -1.51 0.11 0.56 -0.62 -0.21 -0.96 0.29 119.66 117.33 1pkt s GLN 7 Ca 0.42 0.50 0.05 0.00 0.02 0.00 0.00 55.36 56.35 1pkt s GLN 7 Cb -0.22 -0.51 0.04 0.00 1.00 0.00 0.00 33.01 33.32 1pkt s GLN 7 CO 0.27 -0.41 0.37 0.71 -2.12 0.00 0.00 175.29 174.11 1pkt s TYR 8 N 2.34 1.51 0.39 0.91 2.02 -0.84 -1.67 117.35 122.01 1pkt s TYR 8 Ca 0.04 -0.90 0.08 0.00 -0.37 0.00 0.00 57.07 55.92 1pkt s TYR 8 Cb -0.13 -1.86 -0.06 0.00 -0.40 0.00 0.00 41.96 39.52 1pkt s TYR 8 CO -0.09 -0.46 0.13 1.03 -1.57 0.00 0.00 175.55 174.59 1pkt s ARG 9 N -4.27 2.18 -0.70 -0.62 0.52 -1.00 -1.69 118.95 113.37 1pkt s ARG 9 Ca 0.29 -1.84 -0.21 0.00 -0.52 0.00 0.00 55.73 53.45 1pkt s ARG 9 Cb -0.02 -1.95 0.09 0.00 0.52 0.00 0.00 34.95 33.60 1pkt s ARG 9 CO 0.18 -0.05 0.93 0.00 0.02 0.00 0.00 175.30 176.39 1pkt s ALA 10 N -2.59 3.25 0.36 2.13 0.00 0.00 -1.40 121.76 123.51 1pkt s ALA 10 Ca 0.39 -2.15 0.11 0.00 0.00 0.00 0.00 51.96 50.31 1pkt s ALA 10 Cb 0.03 -3.81 0.66 0.00 0.00 0.00 0.00 23.12 20.01 1pkt s ALA 10 CO 0.21 -2.71 1.81 -0.07 0.00 0.00 0.00 175.76 175.00 1pkt h LEU 11 N 10.77 0.08 0.00 0.00 3.38 -0.83 -3.01 115.31 125.70 1pkt h LEU 11 Ca -0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1pkt h LEU 11 Cb 1.06 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.79 1pkt h LEU 11 CO 1.14 0.43 0.00 -1.22 0.09 0.00 0.00 178.44 178.88 1pkt n TYR 12 N -4.10 0.00 -3.75 1.13 4.02 -1.03 -4.81 117.16 108.63 1pkt n TYR 12 Ca -0.02 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.58 1pkt n TYR 12 Cb 0.41 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.58 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 -0.62 4.01 0.32 7.72 -4.77 -1.26 -1.86 116.67 120.21 1pkt s ASP 13 Ca 0.00 -1.84 -0.10 0.00 -3.30 0.00 0.00 52.55 47.30 1pkt s ASP 13 Cb 0.00 -0.94 -0.07 0.00 -1.09 0.00 0.00 42.92 40.82 1pkt s ASP 13 CO 0.00 -0.39 0.66 -0.47 0.70 0.00 0.00 175.17 175.68 1pkt s TYR 14 N 1.35 3.43 0.10 2.11 5.04 0.15 -4.86 117.35 124.67 1pkt s TYR 14 Ca 0.11 0.97 0.00 0.00 -2.44 0.00 0.00 57.07 55.72 1pkt s TYR 14 Cb -0.19 -2.36 -0.04 0.00 0.35 0.00 0.00 41.96 39.73 1pkt s TYR 14 CO -0.19 0.09 0.25 0.21 -1.34 0.00 0.00 175.55 174.57 1pkt s LYS 15 N -3.31 3.45 -1.07 4.97 2.47 -1.26 -1.23 119.74 123.76 1pkt s LYS 15 Ca 0.50 -0.47 -0.23 0.00 -1.56 0.00 0.00 55.97 54.21 1pkt s LYS 15 Cb -0.11 -3.00 -0.03 0.00 -1.46 0.00 0.00 37.83 33.24 1pkt s LYS 15 CO 0.25 0.57 1.83 0.21 0.16 0.00 0.00 175.35 178.37 1pkt s LYS 16 N -2.77 2.91 -0.02 4.03 2.20 -1.26 -4.49 119.74 120.34 1pkt s LYS 16 Ca 0.35 -0.97 0.01 0.00 -0.36 0.00 0.00 55.97 55.00 1pkt s LYS 16 Cb -0.12 -5.24 -0.02 0.00 -1.51 0.00 0.00 37.83 30.93 1pkt s LYS 16 CO 0.28 -3.23 -0.01 -0.85 -0.36 0.00 0.00 175.35 171.18 1pkt n GLU 17 N 8.60 1.78 -2.35 4.03 -0.00 -1.26 -5.01 120.64 126.43 1pkt n GLU 17 Ca 0.42 0.01 -0.41 0.00 -0.00 0.00 0.00 57.16 57.18 1pkt n GLU 17 Cb 0.47 -1.06 -0.04 0.00 -0.00 0.00 0.00 31.44 30.82 1pkt n GLU 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1pkt s ARG 18 N -2.05 4.52 0.39 3.44 1.81 -1.26 -4.86 118.95 120.94 1pkt s ARG 18 Ca -0.02 1.93 0.22 0.00 -1.72 0.00 0.00 55.73 56.13 1pkt s ARG 18 Cb 0.01 -3.18 1.18 0.00 -0.45 0.00 0.00 34.95 32.52 1pkt s ARG 18 CO 0.08 0.02 1.63 1.49 -0.68 0.00 0.00 175.30 177.84 1pkt h GLU 19 N 4.18 0.00 -0.42 3.54 4.81 -2.00 -1.39 114.58 123.30 1pkt h GLU 19 Ca -0.46 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.46 1pkt h GLU 19 Cb 1.22 0.00 -0.35 0.00 0.63 0.00 0.00 28.75 30.25 1pkt h GLU 19 CO 0.69 0.00 -0.90 -1.91 -0.73 0.00 0.00 179.01 176.16 1pkt n GLU 20 N -2.33 2.14 -4.45 1.92 2.13 -1.26 -5.07 120.64 113.72 1pkt n GLU 20 Ca -0.01 -3.50 -0.23 0.00 0.66 0.00 0.00 57.16 54.08 1pkt n GLU 20 Cb 0.18 -1.62 -0.10 0.00 0.27 0.00 0.00 31.44 30.17 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1pkt s ASP 21 N -3.38 3.23 0.42 4.31 -4.77 -0.53 -1.83 116.67 114.13 1pkt s ASP 21 Ca 0.38 -1.08 0.07 0.00 -3.30 0.00 0.00 52.55 48.62 1pkt s ASP 21 Cb 0.37 -0.25 -0.06 0.00 -1.09 0.00 0.00 42.92 41.90 1pkt s ASP 21 CO -0.03 -0.12 0.12 0.27 0.70 0.00 0.00 175.17 176.11 1pkt s ILE 22 N -2.72 2.11 -0.71 2.11 -4.36 -0.24 -4.68 121.20 112.71 1pkt s ILE 22 Ca 0.28 -1.81 -0.27 0.00 -0.26 0.00 0.00 60.65 58.60 1pkt s ILE 22 Cb -0.01 -2.92 0.03 0.00 1.25 0.00 0.00 42.46 40.81 1pkt s ILE 22 CO 0.13 0.00 1.30 -1.81 0.24 0.00 0.00 174.94 174.79 1pkt s ASP 23 N -3.85 6.16 -0.02 4.36 1.11 -1.26 -4.24 116.67 118.92 1pkt s ASP 23 Ca 0.37 -0.34 -0.22 0.00 0.18 0.00 0.00 52.55 52.54 1pkt s ASP 23 Cb 0.06 -2.56 -0.05 0.00 1.07 0.00 0.00 42.92 41.44 1pkt s ASP 23 CO 0.20 -1.82 0.63 -0.76 1.18 0.00 0.00 175.17 174.60 1pkt s LEU 24 N 5.79 4.39 -0.01 1.23 2.01 -0.37 -4.90 118.68 126.82 1pkt s LEU 24 Ca 0.38 1.18 0.02 0.00 0.01 0.00 0.00 54.13 55.71 1pkt s LEU 24 Cb -0.08 -2.98 -0.00 0.00 0.01 0.00 0.00 46.19 43.14 1pkt s LEU 24 CO 0.17 0.03 -0.06 -1.00 1.01 0.00 0.00 176.35 176.50 1pkt s HIS 25 N 0.11 0.58 0.02 0.29 3.76 -1.25 0.30 115.29 119.10 1pkt s HIS 25 Ca 0.33 -0.11 -0.33 0.00 -0.15 0.00 0.00 55.06 54.79 1pkt s HIS 25 Cb -0.18 -0.39 -0.12 0.00 1.11 0.00 0.00 32.58 33.00 1pkt s HIS 25 CO 0.18 -0.02 1.81 -0.11 -0.85 0.00 0.00 174.74 175.74 1pkt n LEU 26 N 3.01 3.52 0.00 0.89 0.00 -0.78 -1.19 117.00 122.45 1pkt n LEU 26 Ca -0.14 1.00 0.00 0.00 0.00 0.00 0.00 56.01 56.87 1pkt n LEU 26 Cb 0.57 -1.43 0.00 0.00 0.00 0.00 0.00 43.42 42.57 1pkt n LEU 26 CO 0.25 -0.05 0.00 0.61 0.00 0.00 0.00 177.39 178.20 1pkt n GLY 27 N 4.15 0.54 3.95 -3.96 0.00 -1.14 -4.98 105.19 103.74 1pkt n GLY 27 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 1pkt n GLY 27 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1pkt s ASP 28 N -2.05 5.45 0.07 1.61 1.47 -0.34 -4.84 116.67 118.04 1pkt s ASP 28 Ca 0.00 0.33 0.07 0.00 1.18 0.00 0.00 52.55 54.13 1pkt s ASP 28 Cb 0.00 -1.31 -0.03 0.00 -0.34 0.00 0.00 42.92 41.24 1pkt s ASP 28 CO 0.00 -1.06 -0.20 -0.63 0.68 0.00 0.00 175.17 173.96 1pkt s ILE 29 N -2.83 1.62 -0.11 2.11 1.09 -1.26 -0.82 121.20 121.01 1pkt s ILE 29 Ca 0.54 -1.36 0.03 0.00 -1.10 0.00 0.00 60.65 58.76 1pkt s ILE 29 Cb -0.10 -1.45 0.01 0.00 -1.06 0.00 0.00 42.46 39.85 1pkt s ILE 29 CO 0.41 0.04 -0.19 -0.76 -0.10 0.00 0.00 174.94 174.34 1pkt s LEU 30 N -1.56 1.93 -0.74 2.97 1.02 -0.68 -3.08 118.68 118.53 1pkt s LEU 30 Ca 0.06 -0.49 -0.16 0.00 0.02 0.00 0.00 54.13 53.56 1pkt s LEU 30 Cb -0.09 -1.24 0.17 0.00 0.02 0.00 0.00 46.19 45.05 1pkt s LEU 30 CO 0.03 0.08 0.75 -0.89 0.02 0.00 0.00 176.35 176.34 1pkt s THR 31 N 0.68 5.30 -0.36 5.49 2.01 -0.51 -1.98 115.64 126.27 1pkt s THR 31 Ca -0.12 -1.94 -0.21 0.00 0.31 0.00 0.00 61.69 59.74 1pkt s THR 31 Cb -0.16 -4.48 0.00 0.00 0.01 0.00 0.00 72.50 67.87 1pkt s THR 31 CO 0.03 -1.07 0.66 -0.69 -0.69 0.00 0.00 174.62 172.86 1pkt s VAL 32 N 1.16 4.86 1.26 3.82 1.01 0.15 -1.86 120.40 130.79 1pkt s VAL 32 Ca 0.16 0.61 -0.17 0.00 0.00 0.00 0.00 61.98 62.58 1pkt s VAL 32 Cb -0.16 -4.11 0.29 0.00 0.00 0.00 0.00 36.38 32.41 1pkt s VAL 32 CO -0.04 -0.35 0.77 0.59 0.00 0.00 0.00 175.10 176.07 1pkt n ASN 33 N 6.12 -2.69 0.00 3.32 4.13 -1.26 -0.55 115.26 124.33 1pkt n ASN 33 Ca -0.01 -0.40 -0.13 0.00 1.68 0.00 0.00 54.58 55.72 1pkt n ASN 33 Cb 0.48 -1.10 -0.02 0.00 -1.54 0.00 0.00 39.78 37.61 1pkt n ASN 33 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 1pkt h LYS 34 N -2.91 0.63 0.15 3.52 2.10 -1.93 -3.09 116.57 115.03 1pkt h LYS 34 Ca -0.53 -0.49 -0.21 0.00 -2.00 0.00 0.00 60.65 57.42 1pkt h LYS 34 Cb 1.30 0.09 0.02 0.00 -0.90 0.00 0.00 32.23 32.75 1pkt h LYS 34 CO 0.39 1.11 -0.93 0.78 -2.00 0.00 0.00 179.45 178.80 1pkt h GLY 35 N 0.90 0.36 1.07 0.07 0.00 -1.98 -3.15 103.07 100.34 1pkt h GLY 35 Ca -0.03 -0.92 0.03 0.00 0.00 0.00 0.00 47.33 46.41 1pkt h GLY 35 CO 0.14 0.81 0.43 1.48 0.00 0.00 0.00 176.54 179.40 1pkt h SER 36 N -0.32 0.00 0.41 0.19 4.64 -1.91 0.42 113.55 116.98 1pkt h SER 36 Ca -0.17 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 60.84 1pkt h SER 36 Cb 1.70 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.78 1pkt h SER 36 CO 0.15 0.00 -1.59 0.25 -0.87 0.00 0.00 176.83 174.77 1pkt h LEU 37 N 0.00 0.38 -0.65 5.97 7.12 -1.52 -3.28 115.31 123.33 1pkt h LEU 37 Ca 0.06 -0.56 0.00 0.00 0.13 0.00 0.00 57.88 57.50 1pkt h LEU 37 Cb 0.92 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 1pkt h LEU 37 CO -0.00 1.47 0.00 0.52 -0.13 0.00 0.00 178.44 180.30 1pkt n VAL 38 N -3.44 0.13 0.51 1.05 0.31 0.13 -3.85 118.33 113.16 1pkt n VAL 38 Ca -0.18 -0.20 0.05 0.00 -0.01 0.00 0.00 64.34 64.00 1pkt n VAL 38 Cb 1.05 0.10 0.27 0.00 -0.91 0.00 0.00 33.84 34.34 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 -0.13 1.67 -0.13 3.52 0.00 -0.25 -2.77 120.51 122.41 1pkt n ALA 39 Ca 0.15 -0.05 -0.24 0.00 0.00 0.00 0.00 53.44 53.30 1pkt n ALA 39 Cb 0.22 -1.17 -0.11 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.26 2.44 0.00 0.00 7.99 -1.25 -5.02 117.00 119.90 1pkt n LEU 40 Ca 0.05 0.11 0.00 0.00 -0.01 0.00 0.00 56.01 56.16 1pkt n LEU 40 Cb 0.08 -0.86 0.00 0.00 -0.11 0.00 0.00 43.42 42.53 1pkt n LEU 40 CO 0.08 0.75 0.00 0.61 -1.51 0.00 0.00 177.39 177.32 1pkt n GLY 41 N 1.75 1.44 0.00 -0.72 0.00 -1.11 -5.13 105.19 101.41 1pkt n GLY 41 Ca -0.50 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.12 -4.46 1.61 3.72 -1.26 -5.04 117.46 111.92 1pkt n PHE 42 Ca 0.00 0.00 -0.22 0.00 -0.05 0.00 0.00 57.45 57.18 1pkt n PHE 42 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 1pkt n PHE 42 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1pkt s SER 43 N -2.03 2.80 -0.94 4.37 0.15 -1.26 -5.02 113.70 111.77 1pkt s SER 43 Ca 0.00 -1.26 -0.25 0.00 0.70 0.00 0.00 55.95 55.14 1pkt s SER 43 Cb 0.00 -0.17 -0.11 0.00 -1.71 0.00 0.00 66.02 64.03 1pkt s SER 43 CO 0.00 -0.42 2.11 -0.62 1.20 0.00 0.00 173.24 175.51 1pkt s ASP 44 N -3.49 4.51 0.00 5.45 2.15 -1.26 -1.82 116.67 122.22 1pkt s ASP 44 Ca 0.32 -0.66 0.00 0.00 0.43 0.00 0.00 52.55 52.64 1pkt s ASP 44 Cb 0.06 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 1pkt s ASP 44 CO 0.14 -3.42 0.00 0.61 -0.17 0.00 0.00 175.17 172.33 1pkt n GLY 45 N 6.58 0.51 1.21 2.66 0.00 -1.26 -4.98 105.19 109.92 1pkt n GLY 45 Ca 0.43 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.47 1pkt n GLY 45 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1pkt n GLN 46 N 0.00 2.77 -0.02 1.61 7.27 -0.76 -4.02 117.38 124.23 1pkt n GLN 46 Ca 0.00 -1.51 -0.22 0.00 0.07 0.00 0.00 57.00 55.34 1pkt n GLN 46 Cb 0.00 -1.84 -0.13 0.00 2.41 0.00 0.00 30.24 30.67 1pkt n GLN 46 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1pkt h GLU 47 N 1.79 0.19 -1.47 3.69 5.08 -1.94 -3.36 114.58 118.57 1pkt h GLU 47 Ca 0.03 -0.33 -0.29 0.00 -1.00 0.00 0.00 59.36 57.76 1pkt h GLU 47 Cb 1.28 0.12 -0.13 0.00 0.50 0.00 0.00 28.75 30.52 1pkt h GLU 47 CO 0.27 1.16 0.38 0.00 -1.00 0.00 0.00 179.01 179.81 1pkt n ALA 48 N -3.12 4.87 -2.83 3.43 0.00 -1.26 -4.29 120.51 117.32 1pkt n ALA 48 Ca -0.31 -1.51 -0.11 0.00 0.00 0.00 0.00 53.44 51.51 1pkt n ALA 48 Cb 0.94 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 19.10 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 0.32 0.85 -0.11 0.00 3.00 -1.26 -4.70 116.66 114.76 1pkt n ARG 49 Ca 0.28 -2.08 -0.08 0.00 -0.00 0.00 0.00 57.85 55.97 1pkt n ARG 49 Cb 0.64 -1.33 -0.00 0.00 0.00 0.00 0.00 32.46 31.77 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 3.65 0.47 -1.05 -0.14 0.10 -1.82 -1.68 132.00 131.53 1pkt h PRO 50 Ca -0.09 -0.03 0.30 0.00 0.10 0.00 0.00 66.00 66.28 1pkt h PRO 50 Cb 1.03 -0.11 -0.04 0.00 0.10 0.00 0.00 31.00 31.98 1pkt h PRO 50 CO 0.30 0.31 1.02 1.05 0.10 0.00 0.00 178.00 180.78 1pkt h GLU 51 N 0.48 0.00 -1.75 1.05 4.11 -1.82 0.52 114.58 117.17 1pkt h GLU 51 Ca 0.14 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.90 1pkt h GLU 51 Cb -0.03 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 28.86 1pkt h GLU 51 CO -0.04 0.00 0.02 -1.91 0.07 0.00 0.00 179.01 177.15 1pkt n GLU 52 N -3.59 3.20 0.00 1.06 2.13 -0.63 -4.60 120.64 118.22 1pkt n GLU 52 Ca 0.23 -4.14 0.00 0.00 0.66 0.00 0.00 57.16 53.91 1pkt n GLU 52 Cb 1.35 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1pkt n ILE 53 N -0.49 0.00 0.00 6.31 5.41 0.18 -5.01 119.36 125.77 1pkt n ILE 53 Ca 0.45 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.20 1pkt n ILE 53 Cb 0.47 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 39.40 1pkt n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1pkt n GLY 54 N 1.22 2.45 3.34 7.39 0.00 -1.23 -5.05 105.19 113.31 1pkt n GLY 54 Ca 0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.49 0.14 1.61 0.52 -1.26 -2.39 118.94 117.08 1pkt s TRP 55 Ca 0.00 1.18 0.04 0.00 0.02 0.00 0.00 56.10 57.35 1pkt s TRP 55 Cb 0.00 0.17 -0.04 0.00 -1.15 0.00 0.00 33.47 32.44 1pkt s TRP 55 CO 0.00 -0.24 -0.10 -0.51 0.02 0.00 0.00 176.95 176.12 1pkt s LEU 56 N 0.22 2.53 -0.30 2.99 1.02 -0.77 -4.88 118.68 119.50 1pkt s LEU 56 Ca -0.00 -1.01 -0.02 0.00 0.02 0.00 0.00 54.13 53.12 1pkt s LEU 56 Cb -0.03 -0.34 0.05 0.00 0.02 0.00 0.00 46.19 45.88 1pkt s LEU 56 CO 0.01 -0.33 0.00 0.21 0.02 0.00 0.00 176.35 176.26 1pkt s ASN 57 N -3.15 4.89 0.00 2.29 3.84 -1.26 -0.93 114.94 120.62 1pkt s ASN 57 Ca 0.16 -1.23 0.00 0.00 0.21 0.00 0.00 52.86 52.01 1pkt s ASN 57 Cb 0.02 -1.72 0.00 0.00 -0.55 0.00 0.00 41.25 39.00 1pkt s ASN 57 CO 0.00 -0.25 0.00 0.61 -2.79 0.00 0.00 177.10 174.67 1pkt n GLY 58 N 4.64 4.37 3.27 1.21 0.00 -0.79 -4.53 105.19 113.36 1pkt n GLY 58 Ca -0.13 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.39 3.12 -1.37 1.61 5.04 -0.78 -2.38 117.35 121.20 1pkt s TYR 59 Ca 0.00 -1.27 -0.16 0.00 -2.44 0.00 0.00 57.07 53.20 1pkt s TYR 59 Cb 0.00 -2.17 0.06 0.00 0.35 0.00 0.00 41.96 40.21 1pkt s TYR 59 CO 0.00 -0.65 1.95 -1.71 -1.34 0.00 0.00 175.55 173.80 1pkt n ASN 60 N 4.77 4.48 -0.27 4.32 2.85 -0.86 -1.42 115.26 129.12 1pkt n ASN 60 Ca -0.15 -2.89 0.24 0.00 -0.11 0.00 0.00 54.58 51.67 1pkt n ASN 60 Cb 0.47 -1.69 0.58 0.00 1.24 0.00 0.00 39.78 40.38 1pkt n ASN 60 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1pkt h GLU 61 N 6.79 0.26 -0.60 1.20 4.81 -1.84 1.04 114.58 126.25 1pkt h GLU 61 Ca 0.50 -0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.79 1pkt h GLU 61 Cb 0.76 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.02 1pkt h GLU 61 CO 1.65 0.17 0.28 1.15 -0.73 0.00 0.00 179.01 181.53 1pkt h THR 62 N 0.27 0.86 -0.18 0.32 2.02 -1.86 -2.55 112.91 111.80 1pkt h THR 62 Ca 0.52 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1pkt h THR 62 Cb 1.54 0.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.26 1pkt h THR 62 CO -0.16 0.09 0.00 0.35 0.37 0.00 0.00 175.52 176.17 1pkt n THR 63 N -4.91 1.93 -4.28 3.16 -2.24 0.24 -4.95 114.28 103.23 1pkt n THR 63 Ca 0.08 -1.81 -0.38 0.00 -2.27 0.00 0.00 64.05 59.67 1pkt n THR 63 Cb 0.22 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.30 1pkt n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pkt n GLY 64 N -0.62 -0.43 2.98 3.38 0.00 0.34 -4.89 105.19 105.94 1pkt n GLY 64 Ca 0.17 0.10 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 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 -6.97 1.78 0.09 1.61 2.02 -0.97 -4.94 118.70 111.32 1pkt s GLU 65 Ca 0.75 -1.16 -0.12 0.00 0.02 0.00 0.00 54.97 54.45 1pkt s GLU 65 Cb -0.42 -2.71 -0.06 0.00 0.10 0.00 0.00 34.13 31.04 1pkt s GLU 65 CO 0.92 -0.62 0.45 -0.98 0.02 0.00 0.00 175.26 175.05 1pkt s ARG 66 N 1.28 3.87 0.00 1.61 1.70 -1.26 -2.04 118.95 124.11 1pkt s ARG 66 Ca -0.05 0.33 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1pkt s ARG 66 Cb -0.19 -3.02 0.00 0.00 -0.57 0.00 0.00 34.95 31.16 1pkt s ARG 66 CO -0.06 0.56 0.00 0.41 -1.08 0.00 0.00 175.30 175.13 1pkt n GLY 67 N 1.06 -0.70 3.95 3.88 0.00 -1.00 -4.87 105.19 107.51 1pkt n GLY 67 Ca -0.08 -0.92 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 1pkt n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pkt s ASP 68 N -4.00 5.96 0.05 1.61 2.15 -0.76 -1.89 116.67 119.79 1pkt s ASP 68 Ca 0.00 0.30 -0.27 0.00 0.43 0.00 0.00 52.55 53.02 1pkt s ASP 68 Cb 0.00 -1.64 0.09 0.00 -0.30 0.00 0.00 42.92 41.07 1pkt s ASP 68 CO 0.00 -0.59 0.75 0.72 -0.17 0.00 0.00 175.17 175.89 1pkt s PHE 69 N -2.48 -0.46 0.09 -5.34 -0.71 -0.11 -1.08 117.98 107.90 1pkt s PHE 69 Ca 0.46 0.36 -0.32 0.00 -1.04 0.00 0.00 56.93 56.39 1pkt s PHE 69 Cb -0.10 0.53 -0.11 0.00 -1.21 0.00 0.00 43.02 42.13 1pkt s PHE 69 CO 0.37 -0.67 1.84 -2.30 -1.34 0.00 0.00 175.22 173.12 1pkt n PRO 70 N -0.16 2.67 -0.14 1.99 -0.02 -1.26 -1.84 135.00 136.25 1pkt n PRO 70 Ca -0.13 0.97 -0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1pkt n PRO 70 Cb 0.63 -2.86 -0.02 0.00 -0.02 0.00 0.00 33.50 31.23 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 8.64 0.98 2.00 -1.23 0.00 -1.72 -2.30 103.07 109.43 1pkt h GLY 71 Ca -0.47 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 45.95 1pkt h GLY 71 CO 0.94 0.83 0.00 -1.30 0.00 0.00 0.00 176.54 177.01 1pkt n THR 72 N -4.16 1.25 -0.04 4.70 -2.24 -1.26 -1.26 114.28 111.27 1pkt n THR 72 Ca -0.01 0.42 0.07 0.00 -2.27 0.00 0.00 64.05 62.25 1pkt n THR 72 Cb 0.47 -1.33 0.26 0.00 -2.10 0.00 0.00 70.33 67.63 1pkt n THR 72 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1pkt n TYR 73 N -1.83 1.12 -4.47 4.78 4.02 -0.87 -4.83 117.16 115.09 1pkt n TYR 73 Ca 0.01 -0.44 -0.25 0.00 -0.01 0.00 0.00 57.90 57.21 1pkt n TYR 73 Cb 0.11 -0.21 -0.08 0.00 -0.02 0.00 0.00 39.34 39.14 1pkt n TYR 73 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 1pkt s VAL 74 N -1.80 0.41 -0.40 -0.72 -7.23 -0.39 -0.21 120.40 110.05 1pkt s VAL 74 Ca 0.37 -2.00 0.05 0.00 -1.81 0.00 0.00 61.98 58.59 1pkt s VAL 74 Cb 0.24 -2.33 0.17 0.00 0.56 0.00 0.00 36.38 35.02 1pkt s VAL 74 CO 0.17 0.00 0.47 -1.83 -0.31 0.00 0.00 175.10 173.60 1pkt s GLU 75 N -3.61 0.75 -0.25 4.82 -1.05 -0.49 -4.53 118.70 114.33 1pkt s GLU 75 Ca 0.26 -0.84 -0.41 0.00 -0.15 0.00 0.00 54.97 53.83 1pkt s GLU 75 Cb 0.02 -0.51 -0.17 0.00 -0.44 0.00 0.00 34.13 33.02 1pkt s GLU 75 CO 0.18 -1.22 1.58 0.98 0.95 0.00 0.00 175.26 177.72 1pkt n TYR 76 N 4.05 1.75 -2.22 4.83 4.19 -1.26 -2.37 117.16 126.12 1pkt n TYR 76 Ca 0.13 0.77 -0.00 0.00 3.31 0.00 0.00 57.90 62.11 1pkt n TYR 76 Cb 0.49 -2.34 -0.01 0.00 0.49 0.00 0.00 39.34 37.97 1pkt n TYR 76 CO 0.00 0.00 0.00 -0.89 0.91 0.00 0.00 176.86 176.88 1pkt n ILE 77 N 3.80 0.00 -3.66 2.97 5.41 -1.03 -4.91 119.36 121.94 1pkt n ILE 77 Ca 0.26 -0.44 -0.10 0.00 1.00 0.00 0.00 62.75 63.46 1pkt n ILE 77 Cb 0.08 0.67 -0.11 0.00 -0.71 0.00 0.00 39.64 39.57 1pkt n ILE 77 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 1pkt s GLY 78 N -1.34 -0.27 0.00 7.39 0.00 -0.67 -4.98 107.32 107.45 1pkt s GLY 78 Ca 0.15 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.17 1pkt s GLY 78 CO -0.07 2.20 0.11 0.54 0.00 0.00 0.00 173.10 175.87