#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pkt n GLY 5 N 0.00 -1.13 3.64 8.31 0.00 -1.26 -4.44 105.19 110.30 1pkt n GLY 5 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1pkt n GLY 5 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pkt s TYR 6 N 0.00 -1.21 -0.10 1.61 1.51 0.11 -4.68 117.35 114.59 1pkt s TYR 6 Ca 0.00 2.23 0.00 0.00 -1.01 0.00 0.00 57.07 58.29 1pkt s TYR 6 Cb 0.00 0.72 0.02 0.00 -0.11 0.00 0.00 41.96 42.60 1pkt s TYR 6 CO 0.00 -0.60 -0.08 -0.65 -1.11 0.00 0.00 175.55 173.11 1pkt s GLN 7 N 2.29 1.54 0.44 -0.62 -0.21 0.11 0.18 119.66 123.39 1pkt s GLN 7 Ca -0.08 -0.28 0.01 0.00 0.02 0.00 0.00 55.36 55.03 1pkt s GLN 7 Cb -0.09 -1.53 0.01 0.00 1.00 0.00 0.00 33.01 32.41 1pkt s GLN 7 CO -0.19 -0.20 0.10 0.66 -2.12 0.00 0.00 175.29 173.54 1pkt n TYR 8 N 4.69 0.47 -4.41 0.91 4.01 -0.95 -2.33 117.16 119.56 1pkt n TYR 8 Ca -0.15 -2.06 -0.25 0.00 -0.16 0.00 0.00 57.90 55.28 1pkt n TYR 8 Cb 0.50 -0.31 -0.09 0.00 -0.31 0.00 0.00 39.34 39.13 1pkt n TYR 8 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1pkt s ARG 9 N -3.64 2.00 -0.19 -0.72 1.81 -0.96 -2.46 118.95 114.77 1pkt s ARG 9 Ca 0.08 -1.83 -0.21 0.00 -1.72 0.00 0.00 55.73 52.05 1pkt s ARG 9 Cb -0.01 -1.85 -0.02 0.00 -0.45 0.00 0.00 34.95 32.62 1pkt s ARG 9 CO 0.05 0.12 0.64 0.00 -0.68 0.00 0.00 175.30 175.43 1pkt s ALA 10 N -2.56 3.54 -0.17 2.13 0.00 0.14 -1.41 121.76 123.43 1pkt s ALA 10 Ca 0.34 -0.24 0.10 0.00 0.00 0.00 0.00 51.96 52.16 1pkt s ALA 10 Cb 0.01 -2.99 -0.18 0.00 0.00 0.00 0.00 23.12 19.97 1pkt s ALA 10 CO 0.19 -0.55 -0.02 1.28 0.00 0.00 0.00 175.76 176.65 1pkt n LEU 11 N 5.03 0.95 0.00 0.00 4.77 -0.61 -2.97 117.00 124.17 1pkt n LEU 11 Ca -0.01 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1pkt n LEU 11 Cb 0.50 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1pkt n LEU 11 CO 0.44 0.54 0.00 -1.22 -1.33 0.00 0.00 177.39 175.82 1pkt n TYR 12 N -2.75 0.00 -4.52 -1.77 4.02 -1.05 -4.70 117.16 106.39 1pkt n TYR 12 Ca -0.29 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.35 1pkt n TYR 12 Cb 0.98 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 40.20 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 2.84 -0.30 7.72 -4.77 -1.26 -1.42 116.67 120.47 1pkt s ASP 13 Ca 0.00 -1.47 -0.13 0.00 -3.30 0.00 0.00 52.55 47.65 1pkt s ASP 13 Cb 0.00 0.07 0.18 0.00 -1.09 0.00 0.00 42.92 42.08 1pkt s ASP 13 CO 0.00 -0.69 1.01 -0.47 0.70 0.00 0.00 175.17 175.72 1pkt s TYR 14 N -3.16 -0.64 0.56 2.11 5.04 -0.43 -4.88 117.35 115.94 1pkt s TYR 14 Ca 0.30 0.83 -0.15 0.00 -2.44 0.00 0.00 57.07 55.62 1pkt s TYR 14 Cb 0.07 0.28 -0.06 0.00 0.35 0.00 0.00 41.96 42.60 1pkt s TYR 14 CO 0.14 -0.34 1.01 -1.59 -1.34 0.00 0.00 175.55 173.43 1pkt s LYS 15 N 2.73 3.75 -0.77 4.97 -2.85 -1.26 -1.35 119.74 124.96 1pkt s LYS 15 Ca 0.01 0.91 -0.24 0.00 -1.00 0.00 0.00 55.97 55.65 1pkt s LYS 15 Cb -0.09 -2.10 -0.16 0.00 -2.06 0.00 0.00 37.83 33.42 1pkt s LYS 15 CO -0.14 -0.44 2.40 1.17 0.10 0.00 0.00 175.35 178.43 1pkt n LYS 16 N -2.04 0.54 -0.05 1.78 4.81 -1.26 -4.72 118.16 117.22 1pkt n LYS 16 Ca 0.07 -0.45 -0.03 0.00 -0.87 0.00 0.00 58.31 57.03 1pkt n LYS 16 Cb 0.54 -3.02 -0.01 0.00 0.02 0.00 0.00 35.03 32.56 1pkt n LYS 16 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 1pkt h GLU 17 N 14.03 0.00 -6.69 1.64 5.08 -1.89 -3.48 114.58 123.27 1pkt h GLU 17 Ca -0.05 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 57.81 1pkt h GLU 17 Cb 1.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.37 1pkt h GLU 17 CO 1.17 0.00 -0.03 0.50 -1.00 0.00 0.00 179.01 179.65 1pkt s ARG 18 N -1.81 3.60 0.00 2.33 3.52 -1.26 -4.94 118.95 120.38 1pkt s ARG 18 Ca -0.09 0.07 0.14 0.00 -0.13 0.00 0.00 55.73 55.72 1pkt s ARG 18 Cb 0.01 -2.52 0.72 0.00 -1.56 0.00 0.00 34.95 31.60 1pkt s ARG 18 CO 0.13 0.03 1.34 -1.91 -0.81 0.00 0.00 175.30 174.08 1pkt n GLU 19 N -1.58 0.25 0.00 5.12 0.00 -1.26 -1.98 120.64 121.19 1pkt n GLU 19 Ca -0.01 0.12 0.05 0.00 0.00 0.00 0.00 57.16 57.33 1pkt n GLU 19 Cb 0.55 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.42 1pkt n GLU 19 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1pkt n GLU 20 N -1.22 3.15 -2.20 5.31 4.71 -1.26 -5.00 120.64 124.13 1pkt n GLU 20 Ca 0.07 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.16 56.95 1pkt n GLU 20 Cb 0.09 -1.05 0.08 0.00 -1.01 0.00 0.00 31.44 29.56 1pkt n GLU 20 CO 0.00 0.00 0.00 0.16 0.09 0.00 0.00 177.13 177.38 1pkt s ASP 21 N -2.08 4.60 0.14 1.62 -4.77 -0.84 -1.67 116.67 113.68 1pkt s ASP 21 Ca 0.05 0.37 0.05 0.00 -3.30 0.00 0.00 52.55 49.72 1pkt s ASP 21 Cb 0.09 -0.94 -0.04 0.00 -1.09 0.00 0.00 42.92 40.94 1pkt s ASP 21 CO 0.47 -1.74 -0.12 0.27 0.70 0.00 0.00 175.17 174.76 1pkt s ILE 22 N -3.31 1.25 0.28 2.11 -4.36 -0.86 -4.60 121.20 111.72 1pkt s ILE 22 Ca 0.62 -1.95 -0.30 0.00 -0.26 0.00 0.00 60.65 58.76 1pkt s ILE 22 Cb -0.10 -1.74 -0.12 0.00 1.25 0.00 0.00 42.46 41.76 1pkt s ILE 22 CO 0.46 -0.63 1.64 -1.81 0.24 0.00 0.00 174.94 174.83 1pkt s ASP 23 N -2.93 6.35 0.03 4.36 1.11 -1.26 -4.61 116.67 119.71 1pkt s ASP 23 Ca 0.14 2.96 0.03 0.00 0.18 0.00 0.00 52.55 55.86 1pkt s ASP 23 Cb -0.00 -2.63 -0.02 0.00 1.07 0.00 0.00 42.92 41.34 1pkt s ASP 23 CO 0.02 -0.95 -0.10 -0.76 1.18 0.00 0.00 175.17 174.56 1pkt s LEU 24 N -0.14 2.17 -0.09 1.23 2.01 -0.45 -4.93 118.68 118.48 1pkt s LEU 24 Ca 0.66 -0.42 -0.27 0.00 0.01 0.00 0.00 54.13 54.11 1pkt s LEU 24 Cb -0.49 -0.37 0.06 0.00 0.01 0.00 0.00 46.19 45.40 1pkt s LEU 24 CO 0.45 -0.05 0.63 -1.00 1.01 0.00 0.00 176.35 177.39 1pkt s HIS 25 N -0.89 -0.61 0.45 0.29 3.76 -1.25 -1.32 115.29 115.72 1pkt s HIS 25 Ca -0.03 1.15 -0.23 0.00 -0.15 0.00 0.00 55.06 55.81 1pkt s HIS 25 Cb -0.07 0.33 -0.10 0.00 1.11 0.00 0.00 32.58 33.85 1pkt s HIS 25 CO 0.01 -0.52 0.88 -0.11 -0.85 0.00 0.00 174.74 174.15 1pkt n LEU 26 N 1.37 2.10 0.00 0.89 7.94 -0.51 -1.15 117.00 127.63 1pkt n LEU 26 Ca -0.18 0.97 0.00 0.00 -1.11 0.00 0.00 56.01 55.69 1pkt n LEU 26 Cb 0.57 -1.30 0.00 0.00 0.53 0.00 0.00 43.42 43.22 1pkt n LEU 26 CO 0.19 -1.89 0.00 0.61 -1.11 0.00 0.00 177.39 175.19 1pkt n GLY 27 N 1.35 2.01 3.84 -3.96 0.00 -1.16 -4.98 105.19 102.29 1pkt n GLY 27 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 1pkt n GLY 27 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pkt s ASP 28 N -3.14 6.88 0.03 1.61 1.11 -0.30 -4.82 116.67 118.04 1pkt s ASP 28 Ca 0.00 1.32 0.02 0.00 0.18 0.00 0.00 52.55 54.08 1pkt s ASP 28 Cb 0.00 -2.39 -0.04 0.00 1.07 0.00 0.00 42.92 41.57 1pkt s ASP 28 CO 0.00 -0.10 0.02 -0.63 1.18 0.00 0.00 175.17 175.64 1pkt s ILE 29 N -1.78 4.23 -0.14 0.77 1.09 -1.26 0.26 121.20 124.37 1pkt s ILE 29 Ca 0.49 -0.71 0.02 0.00 -1.10 0.00 0.00 60.65 59.35 1pkt s ILE 29 Cb -0.13 -2.95 0.02 0.00 -1.06 0.00 0.00 42.46 38.34 1pkt s ILE 29 CO 0.19 0.27 -0.18 -0.76 -0.10 0.00 0.00 174.94 174.36 1pkt s LEU 30 N -1.90 1.89 -0.78 2.97 1.02 -1.03 -3.30 118.68 117.55 1pkt s LEU 30 Ca 0.23 -0.53 -0.15 0.00 0.02 0.00 0.00 54.13 53.70 1pkt s LEU 30 Cb -0.12 -1.27 0.19 0.00 0.02 0.00 0.00 46.19 45.01 1pkt s LEU 30 CO 0.14 0.02 0.76 -0.89 0.02 0.00 0.00 176.35 176.40 1pkt s THR 31 N 1.09 5.42 -0.38 5.49 2.01 -0.76 -2.23 115.64 126.29 1pkt s THR 31 Ca -0.02 -2.16 -0.22 0.00 0.31 0.00 0.00 61.69 59.59 1pkt s THR 31 Cb -0.14 -4.48 0.01 0.00 0.01 0.00 0.00 72.50 67.89 1pkt s THR 31 CO -0.05 -1.06 0.75 -0.69 -0.69 0.00 0.00 174.62 172.87 1pkt s VAL 32 N 0.77 4.76 0.00 3.82 1.01 0.13 -1.60 120.40 129.28 1pkt s VAL 32 Ca 0.17 0.74 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1pkt s VAL 32 Cb -0.13 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pkt s VAL 32 CO -0.06 -0.45 0.00 0.59 0.00 0.00 0.00 175.10 175.18 1pkt n ASN 33 N 6.37 -1.07 0.00 3.32 3.02 -1.26 0.09 115.26 125.73 1pkt n ASN 33 Ca 0.02 -0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 1pkt n ASN 33 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 1pkt n ASN 33 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1pkt n LYS 34 N -1.10 0.00 -0.19 3.52 2.85 -1.26 -3.86 118.16 118.12 1pkt n LYS 34 Ca 0.00 0.25 0.05 0.00 -1.05 0.00 0.00 58.31 57.55 1pkt n LYS 34 Cb 0.00 -0.72 0.32 0.00 -0.65 0.00 0.00 35.03 33.98 1pkt n LYS 34 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1pkt h GLY 35 N 0.00 0.99 0.73 2.58 0.00 -1.95 -0.72 103.07 104.70 1pkt h GLY 35 Ca 0.00 -0.33 0.18 0.00 0.00 0.00 0.00 47.33 47.18 1pkt h GLY 35 CO 0.00 0.27 0.46 1.48 0.00 0.00 0.00 176.54 178.74 1pkt h SER 36 N 0.82 0.03 0.09 0.19 4.64 -1.93 0.74 113.55 118.14 1pkt h SER 36 Ca 0.30 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.29 1pkt h SER 36 Cb 0.15 -0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1pkt h SER 36 CO -0.09 0.02 -1.85 -0.11 -0.87 0.00 0.00 176.83 173.92 1pkt n LEU 37 N -4.36 2.45 0.00 5.97 0.00 -0.35 -3.95 117.00 116.76 1pkt n LEU 37 Ca 0.12 0.25 0.13 0.00 0.00 0.00 0.00 56.01 56.52 1pkt n LEU 37 Cb 0.69 -1.07 0.77 0.00 0.00 0.00 0.00 43.42 43.81 1pkt n LEU 37 CO 0.37 0.71 0.98 0.52 0.00 0.00 0.00 177.39 179.97 1pkt n VAL 38 N -3.73 0.00 0.20 1.96 0.31 -0.73 -3.48 118.33 112.86 1pkt n VAL 38 Ca -0.33 0.00 0.07 0.00 -0.01 0.00 0.00 64.34 64.07 1pkt n VAL 38 Cb 0.95 -0.44 0.35 0.00 -0.91 0.00 0.00 33.84 33.80 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 -0.92 1.22 -1.23 3.52 0.00 0.25 -1.08 120.51 122.27 1pkt n ALA 39 Ca 0.19 0.09 -0.08 0.00 0.00 0.00 0.00 53.44 53.64 1pkt n ALA 39 Cb 0.09 -1.22 0.23 0.00 0.00 0.00 0.00 19.45 18.55 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 -1.92 5.27 -3.47 0.00 7.99 -1.23 -4.92 117.00 118.73 1pkt n LEU 40 Ca 0.00 -3.49 -0.18 0.00 -0.01 0.00 0.00 56.01 52.33 1pkt n LEU 40 Cb 0.07 -0.70 0.09 0.00 -0.11 0.00 0.00 43.42 42.77 1pkt n LEU 40 CO 0.09 1.01 0.12 0.61 -1.51 0.00 0.00 177.39 177.71 1pkt n GLY 41 N -0.81 -0.38 0.00 -0.72 0.00 -0.24 -4.98 105.19 98.05 1pkt n GLY 41 Ca 0.41 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.25 -2.33 -4.24 1.61 3.01 -1.24 -5.06 117.46 104.95 1pkt n PHE 42 Ca -0.25 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.04 1pkt n PHE 42 Cb 0.66 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.99 1pkt n PHE 42 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1pkt s SER 43 N -1.64 1.05 0.07 4.37 0.01 -1.26 -5.06 113.70 111.24 1pkt s SER 43 Ca 0.00 -0.31 -0.31 0.00 1.31 0.00 0.00 55.95 56.64 1pkt s SER 43 Cb 0.00 -0.07 -0.10 0.00 0.21 0.00 0.00 66.02 66.06 1pkt s SER 43 CO 0.00 0.01 1.89 -0.67 0.41 0.00 0.00 173.24 174.88 1pkt n ASP 44 N 2.32 4.01 0.00 2.44 2.03 -1.26 -1.46 116.55 124.63 1pkt n ASP 44 Ca -0.17 0.95 0.00 0.00 0.52 0.00 0.00 54.79 56.10 1pkt n ASP 44 Cb 0.56 -1.52 0.00 0.00 -0.72 0.00 0.00 41.12 39.45 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 4.36 2.16 0.00 0.27 0.00 -1.26 -4.86 105.19 105.86 1pkt n GLY 45 Ca 0.19 -0.33 0.14 0.00 0.00 0.00 0.00 46.02 46.02 1pkt n GLY 45 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pkt n GLN 46 N 0.00 0.68 -0.05 1.61 6.02 -0.53 -3.39 117.38 121.72 1pkt n GLN 46 Ca 0.00 0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.91 1pkt n GLN 46 Cb 0.00 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 29.82 1pkt n GLN 46 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 1pkt h GLU 47 N 0.00 0.69 -0.57 -1.09 4.11 -1.90 -2.53 114.58 113.30 1pkt h GLU 47 Ca 0.00 -0.35 0.00 0.00 0.07 0.00 0.00 59.36 59.08 1pkt h GLU 47 Cb 0.12 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1pkt h GLU 47 CO 0.00 0.96 0.00 0.00 0.07 0.00 0.00 179.01 180.04 1pkt n ALA 48 N -2.52 2.74 -3.29 1.06 0.00 -1.22 -4.28 120.51 113.01 1pkt n ALA 48 Ca -0.02 -0.59 -0.26 0.00 0.00 0.00 0.00 53.44 52.57 1pkt n ALA 48 Cb 0.52 -1.01 -0.07 0.00 0.00 0.00 0.00 19.45 18.89 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 0.26 2.36 -0.04 0.00 0.63 -0.95 -4.69 116.66 114.23 1pkt n ARG 49 Ca 0.10 -4.46 -0.08 0.00 -0.92 0.00 0.00 57.85 52.49 1pkt n ARG 49 Cb 0.42 -2.09 -0.02 0.00 0.45 0.00 0.00 32.46 31.22 1pkt n ARG 49 CO 0.00 0.00 0.00 -1.35 -2.51 0.00 0.00 177.63 173.77 1pkt h PRO 50 N 3.87 -0.10 -0.40 -0.14 0.11 -1.77 0.30 132.00 133.88 1pkt h PRO 50 Ca 0.16 0.01 0.03 0.00 0.11 0.00 0.00 66.00 66.31 1pkt h PRO 50 Cb 0.67 0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.78 1pkt h PRO 50 CO 0.77 -0.06 0.26 1.49 -0.21 0.00 0.00 178.00 180.25 1pkt h GLU 51 N -0.10 0.43 -1.01 1.05 4.81 -1.78 -0.08 114.58 117.89 1pkt h GLU 51 Ca 0.12 -0.03 -0.56 0.00 -0.13 0.00 0.00 59.36 58.76 1pkt h GLU 51 Cb 0.27 -0.10 -0.29 0.00 0.63 0.00 0.00 28.75 29.27 1pkt h GLU 51 CO -0.27 0.28 0.72 -1.91 -0.73 0.00 0.00 179.01 177.10 1pkt n GLU 52 N -4.48 2.38 -0.00 1.92 4.07 -0.05 -4.19 120.64 120.28 1pkt n GLU 52 Ca 0.04 -3.01 -0.01 0.00 -0.06 0.00 0.00 57.16 54.12 1pkt n GLU 52 Cb 0.14 -2.18 -0.00 0.00 -0.06 0.00 0.00 31.44 29.33 1pkt n GLU 52 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1pkt n ILE 53 N -0.99 0.05 0.00 6.31 5.41 -0.05 -4.93 119.36 125.17 1pkt n ILE 53 Ca 0.59 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 64.32 1pkt n ILE 53 Cb 1.24 -0.62 0.00 0.00 -0.71 0.00 0.00 39.64 39.55 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 3.36 2.09 2.97 7.39 0.00 -1.20 -4.94 105.19 114.86 1pkt n GLY 54 Ca -0.01 -0.65 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.11 0.11 1.61 0.52 -1.26 -2.50 118.94 117.31 1pkt s TRP 55 Ca 0.00 0.27 0.06 0.00 0.02 0.00 0.00 56.10 56.44 1pkt s TRP 55 Cb 0.00 0.03 -0.04 0.00 -1.15 0.00 0.00 33.47 32.32 1pkt s TRP 55 CO 0.00 -0.05 -0.14 -0.51 0.02 0.00 0.00 176.95 176.26 1pkt s LEU 56 N 0.08 2.37 -0.32 2.99 1.02 -0.72 -4.90 118.68 119.20 1pkt s LEU 56 Ca -0.00 -0.76 -0.07 0.00 0.02 0.00 0.00 54.13 53.32 1pkt s LEU 56 Cb -0.01 -0.54 0.02 0.00 0.02 0.00 0.00 46.19 45.68 1pkt s LEU 56 CO -0.00 -0.13 0.10 0.21 0.02 0.00 0.00 176.35 176.55 1pkt s ASN 57 N -2.25 5.25 0.00 2.29 3.84 -1.26 -1.17 114.94 121.64 1pkt s ASN 57 Ca 0.06 -0.93 0.00 0.00 0.21 0.00 0.00 52.86 52.19 1pkt s ASN 57 Cb -0.06 -1.88 0.00 0.00 -0.55 0.00 0.00 41.25 38.75 1pkt s ASN 57 CO 0.03 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.68 1pkt n GLY 58 N 4.85 4.24 3.05 1.21 0.00 -0.70 -4.28 105.19 113.57 1pkt n GLY 58 Ca -0.13 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.73 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 -1.55 3.32 -1.01 1.61 5.04 -0.63 -2.64 117.35 121.50 1pkt s TYR 59 Ca 0.00 -2.44 -0.23 0.00 -2.44 0.00 0.00 57.07 51.96 1pkt s TYR 59 Cb 0.00 -2.11 0.05 0.00 0.35 0.00 0.00 41.96 40.24 1pkt s TYR 59 CO 0.00 -0.89 1.47 -0.80 -1.34 0.00 0.00 175.55 173.99 1pkt s ASN 60 N 1.08 6.44 0.37 4.32 0.01 -0.10 -1.83 114.94 125.23 1pkt s ASN 60 Ca -0.05 -1.40 0.08 0.00 -0.71 0.00 0.00 52.86 50.78 1pkt s ASN 60 Cb -0.20 -2.57 0.81 0.00 0.41 0.00 0.00 41.25 39.70 1pkt s ASN 60 CO -0.06 -1.57 1.92 -0.08 -1.51 0.00 0.00 177.10 175.80 1pkt h GLU 61 N 9.87 0.67 -0.89 -0.60 4.81 -1.82 0.93 114.58 127.56 1pkt h GLU 61 Ca 0.19 -0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.53 1pkt h GLU 61 Cb 1.01 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 30.17 1pkt h GLU 61 CO 1.42 0.45 0.57 1.15 -0.73 0.00 0.00 179.01 181.87 1pkt h THR 62 N 0.69 0.82 -0.19 0.32 2.02 -1.87 -0.95 112.91 113.75 1pkt h THR 62 Ca 0.37 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.33 1pkt h THR 62 Cb 0.51 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1pkt h THR 62 CO -0.14 0.12 0.00 0.35 0.37 0.00 0.00 175.52 176.22 1pkt n THR 63 N -4.56 0.56 -4.07 3.16 -2.24 -0.03 -4.98 114.28 102.13 1pkt n THR 63 Ca 0.18 -0.78 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 1pkt n THR 63 Cb 0.49 0.81 -0.02 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.50 -0.32 3.25 3.38 0.00 0.30 -4.95 105.19 107.36 1pkt n GLY 64 Ca 0.09 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 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 -6.73 1.05 -0.06 1.61 2.02 -1.01 -4.98 118.70 110.60 1pkt s GLU 65 Ca 0.32 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 54.06 1pkt s GLU 65 Cb -0.17 -0.89 0.01 0.00 0.10 0.00 0.00 34.13 33.17 1pkt s GLU 65 CO 0.90 0.16 -0.16 0.50 0.02 0.00 0.00 175.26 176.69 1pkt s ARG 66 N -2.86 1.91 0.00 1.61 6.06 -1.26 -0.92 118.95 123.49 1pkt s ARG 66 Ca 0.11 -0.55 0.00 0.00 -2.50 0.00 0.00 55.73 52.79 1pkt s ARG 66 Cb -0.04 -1.57 0.00 0.00 0.06 0.00 0.00 34.95 33.40 1pkt s ARG 66 CO 0.03 0.13 0.00 0.41 -2.50 0.00 0.00 175.30 173.37 1pkt n GLY 67 N 3.52 -0.59 3.89 8.12 0.00 -1.08 -4.83 105.19 114.22 1pkt n GLY 67 Ca -0.21 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 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 5.43 0.06 1.61 -1.08 -0.67 -1.72 116.67 116.30 1pkt s ASP 68 Ca 0.00 -0.46 -0.26 0.00 -0.52 0.00 0.00 52.55 51.31 1pkt s ASP 68 Cb 0.00 -0.96 0.09 0.00 -1.46 0.00 0.00 42.92 40.59 1pkt s ASP 68 CO 0.00 -0.43 0.75 0.72 0.52 0.00 0.00 175.17 176.73 1pkt s PHE 69 N -2.30 -0.45 0.15 -5.34 -0.71 -0.31 -2.02 117.98 106.99 1pkt s PHE 69 Ca 0.44 0.34 -0.31 0.00 -1.04 0.00 0.00 56.93 56.35 1pkt s PHE 69 Cb -0.06 0.54 -0.11 0.00 -1.21 0.00 0.00 43.02 42.18 1pkt s PHE 69 CO 0.28 -0.67 1.75 -2.14 -1.34 0.00 0.00 175.22 173.09 1pkt s PRO 70 N -3.19 4.15 0.19 1.99 0.02 -1.26 -1.76 135.00 135.13 1pkt s PRO 70 Ca 0.02 2.54 -0.04 0.00 0.02 0.00 0.00 61.00 63.55 1pkt s PRO 70 Cb -0.01 -3.38 0.10 0.00 0.02 0.00 0.00 34.50 31.23 1pkt s PRO 70 CO -0.09 -0.78 1.50 0.78 -0.33 0.00 0.00 177.00 178.08 1pkt h GLY 71 N 7.83 0.63 2.00 0.52 0.00 -1.61 -2.50 103.07 109.92 1pkt h GLY 71 Ca -0.44 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.15 1pkt h GLY 71 CO 0.95 0.66 0.00 -1.30 0.00 0.00 0.00 176.54 176.84 1pkt n THR 72 N -3.96 1.47 -0.81 4.70 -2.24 -1.21 -1.45 114.28 110.79 1pkt n THR 72 Ca -0.03 0.37 0.08 0.00 -2.27 0.00 0.00 64.05 62.19 1pkt n THR 72 Cb 0.61 -1.24 0.39 0.00 -2.10 0.00 0.00 70.33 67.99 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 -1.50 1.91 -3.81 4.78 4.02 -0.94 -4.82 117.16 116.81 1pkt n TYR 73 Ca 0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 1pkt n TYR 73 Cb 0.09 -0.43 0.00 0.00 -0.02 0.00 0.00 39.34 38.98 1pkt n TYR 73 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 1pkt n VAL 74 N 0.80 0.00 -3.17 -0.72 0.24 -0.53 -1.58 118.33 113.36 1pkt n VAL 74 Ca 0.27 0.00 -0.08 0.00 -2.04 0.00 0.00 64.34 62.50 1pkt n VAL 74 Cb 1.11 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 33.44 1pkt n VAL 74 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1pkt s GLU 75 N -1.42 0.83 0.24 7.34 -1.05 -0.50 -4.61 118.70 119.53 1pkt s GLU 75 Ca 0.00 -0.76 -0.28 0.00 -0.15 0.00 0.00 54.97 53.77 1pkt s GLU 75 Cb 0.00 -0.30 -0.15 0.00 -0.44 0.00 0.00 34.13 33.24 1pkt s GLU 75 CO 0.00 -1.24 0.82 0.98 0.95 0.00 0.00 175.26 176.77 1pkt n TYR 76 N 3.92 0.55 -0.13 4.83 9.36 -1.26 -2.27 117.16 132.16 1pkt n TYR 76 Ca 0.14 0.82 0.00 0.00 3.32 0.00 0.00 57.90 62.18 1pkt n TYR 76 Cb 0.52 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 37.10 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 0.20 0.00 0.00 2.97 -0.00 -0.98 -4.87 119.36 116.68 1pkt n ILE 77 Ca 0.13 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.52 1pkt n ILE 77 Cb 0.29 1.13 0.00 0.00 -0.00 0.00 0.00 39.64 41.06 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 0.36 -0.13 2.08 7.39 0.00 -1.24 -5.03 105.19 108.62 1pkt n GLY 78 Ca 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.75 1pkt n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86